A0A061IQ35_CRIGR Loading...

Vacuolar proton pump subunit B

Non-catalytic subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. In renal intercalated cells, can partially compensate the lack of ATP6V1B1 and mediate secretion of protons (H+) into the urine under base-line conditions but not in conditions of acid load.

AlphaFold DB , UniProt , Accession A0A061IQ35, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Atp6v1b2, Length 511 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	44.7	Very low	32.8	Very low	255 Å²	255	158.9 Å²	158.9	100%	1.256	85%	0.845	S	S	*	*				0	33.2	0	-98.8	-164.5	-161.9	0	0	113.2
2	A	35.2	Very low	32.8	Very low	95 Å²	95	153.3 Å²	153.3	79%	0.785	85%	0.852	S	S	*	*			trans	-137.9	18.6	179	0	0	0	0	0	113.3
3	L	32.7	Very low	32.4	Very low	174 Å²	174	148.2 Å²	148.2	91%	0.911	84%	0.842	S	S	*	*	S	Bend	trans	-125.4	9.3	-174.5	-103.9	145.4	0	0	0	114
4	R	30.2	Very low	32.4	Very low	247 Å²	247	143.4 Å²	143.4	93%	0.932	83%	0.83	S	S	*	*	S	Bend	trans	-106.7	-6.5	173	-117.8	-179.4	-179.4	-179.5	-0.5	113.9
5	A	35	Very low	32.3	Very low	86 Å²	86	141.3 Å²	141.3	71%	0.711	82%	0.823	S	S	*	*	S	Bend	trans	-91.4	-9.7	-174.7	0	0	0	0	0	114.8
6	M	32.6	Very low	32.2	Very low	175 Å²	175	144.9 Å²	144.9	86%	0.862	83%	0.83	S	S	*	*	S	Bend	trans	-102.4	1.6	-177.1	-89.4	-173	160.7	0	0	115.3
7	R	28.7	Very low	32.6	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	83%	0.827	S	S	*	*	S	Bend	trans	-93.7	1.1	178.7	-111	-178.6	179.9	-174.6	-0.4	114.9
8	G	29.1	Very low	32.7	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	82%	0.822	S	S	*	*	S	Bend	trans	-98.3	1.6	-175.6	0	0	0	0	0	116.4
9	I	32.7	Very low	32.9	Very low	150 Å²	150	142.9 Å²	142.9	77%	0.769	82%	0.822	S	S	*	*	S	Bend	trans	-103.1	-6.3	-172.4	-61.4	176	0	0	0	112.5
10	V	33.4	Very low	33.3	Very low	125 Å²	125	140.1 Å²	140.1	76%	0.758	81%	0.809	S	S	*	*	S	Bend	trans	-108.2	-9.1	-171.4	-173.4	0	0	0	0	114.2
11	N	26.9	Very low	33.7	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	81%	0.811	S	S	*	*	S	Bend	trans	-113.3	117.2	169	-80.5	-9.4	0	0	0	108.6	A13	N11-A13 PolarHBondContact O-N 3.21Å
12	G	31.8	Very low	33.9	Very low	91 Å²	91	131.9 Å²	131.9	94%	0.938	79%	0.791	S	S	*	*			trans	-65.3	67.2	167	0	0	0	0	0	111.2	A14	G12-A14 PolarHBondContact O-N 3.1Å
13	A	28.4	Very low	34.3	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	77%	0.772	S	S	*	*			trans	-75.3	113.4	162.8	0	0	0	0	0	106.8	N11	N11-A13 PolarHBondContact O-N 3.21Å
14	A	32.3	Very low	35.2	Very low	81 Å²	81	127 Å²	127	67%	0.669	77%	0.769	S	S	*	*			trans	-50.5	143.9	168.9	0	0	0	0	0	109.8	G12 E16	G12-A14 PolarHBondContact O-N 3.1Å; A14-E16 PolarHBondContact O-N 2.59Å; A14-E16 VanDerWaalsContact O-N 3.11Å
15	P	31.1	Very low	36.1	Very low	112 Å²	112	122.5 Å²	122.5	73%	0.727	76%	0.76	S	S	*	*			trans	-61.1	120	171.4	25.8	-30.6	0	0	0	107.9	L17	P15-L17 PolarHBondContact O-N 3.34Å
16	E	30.2	Very low	36.9	Very low	200 Å²	200	120.5 Å²	120.5	94%	0.935	74%	0.743	S	S	*	*			trans	-60.2	105.4	169.8	-77.3	-176.3	161.9	0	0	108	A14	A14-E16 PolarHBondContact O-N 2.59Å; A14-E16 VanDerWaalsContact O-N 3.11Å
17	L	38.6	Very low	37.8	Very low	149 Å²	149	113.6 Å²	113.6	78%	0.78	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-70.2	144.4	171.1	-75.4	165	0	0	0	108.9	P15 V19	P15-L17 PolarHBondContact O-N 3.34Å; L17-V19 PolarHBondContact O-N 3.3Å
18	P	34.9	Very low	39.1	Very low	114 Å²	114	105.4 Å²	105.4	74%	0.74	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.1	178.2	25.1	-31.5	0	0	0	109.7	P20	P18-P20 WeakPolarHBondContact O-CD 3.1Å; P18-P20 VanDerWaalsContact O-N 3.15Å
19	V	36.2	Very low	40.4	Very low	134 Å²	134	111.4 Å²	111.4	81%	0.812	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-55	116.2	177.3	-174.2	0	0	0	0	109	L17 T21	L17-V19 PolarHBondContact O-N 3.3Å; V19-T21 PolarHBondContact O-N 3.19Å
20	P	41.4	Very low	41.4	Very low	86 Å²	86	110.2 Å²	110.2	56%	0.558	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-73.4	117.7	175.9	13.5	-4.4	0	0	0	108.3	P18 G22	P18-P20 WeakPolarHBondContact O-CD 3.1Å; P18-P20 VanDerWaalsContact O-N 3.15Å; P20-G22 PolarHBondContact O-N 2.97Å; P20-G22 VanDerWaalsContact O-N 3.09Å
21	T	42.3	Very low	42.5	Very low	141 Å²	141	111 Å²	111	87%	0.865	69%	0.685	S	S	*	*			trans	-60.2	110.8	172.2	46.2	0	0	0	0	110.5	V19	V19-T21 PolarHBondContact O-N 3.19Å
22	G	49.1	Very low	44	Very low	81 Å²	81	107.3 Å²	107.3	84%	0.835	67%	0.674	S	S	*	*			trans	66.4	96.2	138.3	0	0	0	0	0	118.2	P20	P20-G22 PolarHBondContact O-N 2.97Å; P20-G22 VanDerWaalsContact O-N 3.09Å
23	G	42.7	Very low	45.2	Very low	37 Å²	37	108.5 Å²	108.5	38%	0.381	66%	0.658	S	S	.	*			trans	-173.8	141.9	153.8	0	0	0	0	0	111.4	M25 A26	G23-M25 PolarHBondContact O-N 3.24Å; G23-A26 PolarHBondContact O-N 3.44Å
24	P	51.1	Low	46.4	Very low	130 Å²	130	107.4 Å²	107.4	84%	0.844	65%	0.649	S	S	*	*	H	α-helix	trans	-60.4	-17.8	-178.5	21.8	-31	0	0	0	113.8
25	M	49.8	Very low	47.6	Very low	153 Å²	153	109 Å²	109	75%	0.754	65%	0.65	S	S	*	*	H	α-helix	trans	-83.7	-16.1	173.6	-74.4	-149.1	-72.1	0	0	115.3	G23 S28 R29	G23-M25 PolarHBondContact O-N 3.24Å; M25-S28 WeakPolarHBondContact CA-OG 3.26Å; M25-S28 PolarHBondContact O-OG 3.09Å; M25-S28 VanDerWaalsContact O-OG 3.1Å; M25-R29 PolarHBondContact O-N 2.94Å
26	A	50.8	Low	48.6	Very low	43 Å²	43	105.6 Å²	105.6	36%	0.355	63%	0.63	S	S	.	*	H	α-helix	trans	-78.6	-44.1	177.7	0	0	0	0	0	110.8	G23 S28 R29 E30	G23-A26 PolarHBondContact O-N 3.44Å; A26-S28 PolarHBondContact O-N 3.39Å; A26-R29 PolarHBondContact O-N 3.43Å; A26-E30 PolarHBondContact O-N 2.94Å
27	G	52.5	Low	49.6	Very low	31 Å²	31	106 Å²	106	32%	0.32	62%	0.622	S	S	.	*	H	α-helix	trans	-62.7	-39.8	173.6	0	0	0	0	0	112.5	R29 E30 Q31	G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 3.18Å; G27-E30 PolarHBondContact O-N 3.31Å; G27-Q31 WeakPolarHBondContact O-CB 3.24Å; G27-Q31 PolarHBondContact O-N 3.02Å
28	S	54.8	Low	50.9	Low	64 Å²	64	106.1 Å²	106.1	45%	0.448	62%	0.624	S	S	.	*	H	α-helix	trans	-66.3	-33	176.8	69.2	0	0	0	0	113.3	M25 A26 A32	M25-S28 WeakPolarHBondContact CA-OG 3.26Å; M25-S28 PolarHBondContact O-OG 3.09Å; M25-S28 VanDerWaalsContact O-OG 3.1Å; A26-S28 PolarHBondContact O-N 3.39Å; S28-A32 VanDerWaalsContact O-CB 3.29Å; S28-A32 WeakPolarHBondContact O-CB 3.34Å; S28-A32 PolarHBondContact O-N 2.86Å
29	R	56.3	Low	52.8	Low	191 Å²	191	109.4 Å²	109.4	72%	0.721	62%	0.623	S	S	*	*	H	α-helix	trans	-70.6	-42.7	173.2	-88.1	-177.7	171	178.4	-1.1	112.4	M25 A26 G27 Q31 A32 L33	M25-R29 PolarHBondContact O-N 2.94Å; A26-R29 PolarHBondContact O-N 3.43Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 3.18Å; R29-Q31 VanDerWaalsContact C-N 3.32Å; R29-A32 PolarHBondContact O-N 3.5Å; R29-L33 VanDerWaalsContact O-CB 3.29Å; R29-L33 WeakPolarHBondContact O-CB 3.42Å; R29-L33 WeakPolarHBondContact O-CD1 3.38Å; R29-L33 WeakPolarHBondContact O-CG 3.33Å; R29-L33 PolarHBondContact O-N 3Å
30	E	54.5	Low	54.8	Low	125 Å²	125	108.3 Å²	108.3	58%	0.584	61%	0.612	S	S	*	*	H	α-helix	trans	-63.2	-39.2	173.5	-83.4	-176.9	150.4	0	0	111.8	A26 G27 L33 A34	A26-E30 PolarHBondContact O-N 2.94Å; G27-E30 PolarHBondContact O-N 3.31Å; E30-L33 PolarHBondContact O-N 3.04Å; E30-A34 VanDerWaalsContact O-CB 3.29Å; E30-A34 WeakPolarHBondContact O-CB 3.04Å; E30-A34 PolarHBondContact O-N 3.42Å
31	Q	56.2	Low	56.7	Low	142 Å²	142	108.3 Å²	108.3	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-68.1	-40.9	176.1	-128.6	136.9	-15.2	0	0	112.2	G27 R29 A34 V35	G27-Q31 WeakPolarHBondContact O-CB 3.24Å; G27-Q31 PolarHBondContact O-N 3.02Å; R29-Q31 VanDerWaalsContact C-N 3.32Å; Q31-A34 PolarHBondContact O-N 3.49Å; Q31-V35 WeakPolarHBondContact O-CG2 3.28Å; Q31-V35 PolarHBondContact O-N 3.3Å
32	A	59	Low	58.7	Low	62 Å²	62	108.7 Å²	108.7	51%	0.512	61%	0.606	S	S	.	*	H	α-helix	trans	-63.9	-41.2	173.8	0	0	0	0	0	111.9	S28 R29 A34 V35 S36	S28-A32 VanDerWaalsContact O-CB 3.29Å; S28-A32 WeakPolarHBondContact O-CB 3.34Å; S28-A32 PolarHBondContact O-N 2.86Å; R29-A32 PolarHBondContact O-N 3.5Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-V35 PolarHBondContact O-N 3.07Å; A32-S36 PolarHBondContact O-N 3.1Å; A32-S36 PolarHBondContact O-OG 2.67Å
33	L	56.6	Low	60.7	Low	115 Å²	115	109.8 Å²	109.8	60%	0.602	60%	0.599	S	S	*	*	H	α-helix	trans	-68.1	-31.1	175.1	-74.4	166	0	0	0	112.4	R29 E30 S36 R37	R29-L33 VanDerWaalsContact O-CB 3.29Å; R29-L33 WeakPolarHBondContact O-CB 3.42Å; R29-L33 WeakPolarHBondContact O-CD1 3.38Å; R29-L33 WeakPolarHBondContact O-CG 3.33Å; R29-L33 PolarHBondContact O-N 3Å; E30-L33 PolarHBondContact O-N 3.04Å; L33-S36 WeakPolarHBondContact CA-OG 3.46Å; L33-S36 PolarHBondContact O-OG 2.69Å; L33-R37 VanDerWaalsContact O-CA 3.3Å; L33-R37 WeakPolarHBondContact O-CA 3.34Å; L33-R37 VanDerWaalsContact O-CB 3.27Å; L33-R37 WeakPolarHBondContact O-CB 3.36Å; L33-R37 PolarHBondContact O-N 3.07Å
34	A	54.8	Low	63	Low	64 Å²	64	114.4 Å²	114.4	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-69.5	-38.7	173.7	0	0	0	0	0	111.9	E30 Q31 A32 R37	E30-A34 VanDerWaalsContact O-CB 3.29Å; E30-A34 WeakPolarHBondContact O-CB 3.04Å; E30-A34 PolarHBondContact O-N 3.42Å; Q31-A34 PolarHBondContact O-N 3.49Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A34-R37 WeakPolarHBondContact O-CB 3.26Å; A34-R37 PolarHBondContact O-N 3.19Å
35	V	57.6	Low	65	Low	114 Å²	114	112.4 Å²	112.4	69%	0.691	59%	0.586	S	S	*	*	H	α-helix	trans	-68.1	-37.9	174.5	174.1	0	0	0	0	111.5	Q31 A32	Q31-V35 WeakPolarHBondContact O-CG2 3.28Å; Q31-V35 PolarHBondContact O-N 3.3Å; A32-V35 PolarHBondContact O-N 3.07Å
36	S	52.2	Low	67	Low	42 Å²	42	109.1 Å²	109.1	29%	0.294	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-0.7	178.1	67.6	0	0	0	0	114.4	A32 L33 N38 Y39	A32-S36 PolarHBondContact O-N 3.1Å; A32-S36 PolarHBondContact O-OG 2.67Å; L33-S36 WeakPolarHBondContact CA-OG 3.46Å; L33-S36 PolarHBondContact O-OG 2.69Å; S36-N38 PolarHBondContact O-N 3.4Å; S36-N38 VanDerWaalsContact O-N 3.09Å; S36-Y39 PolarHBondContact O-N 3.32Å; S36-Y39 VanDerWaalsContact O-N 3.14Å
37	R	49.9	Very low	69	Low	207 Å²	207	108.3 Å²	108.3	78%	0.781	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-30.8	-165.2	-163.9	171.6	175.2	177.5	-1.8	114	L33 A34	L33-R37 VanDerWaalsContact O-CA 3.3Å; L33-R37 WeakPolarHBondContact O-CA 3.34Å; L33-R37 VanDerWaalsContact O-CB 3.27Å; L33-R37 WeakPolarHBondContact O-CB 3.36Å; L33-R37 PolarHBondContact O-N 3.07Å; A34-R37 WeakPolarHBondContact O-CB 3.26Å; A34-R37 PolarHBondContact O-N 3.19Å
38	N	66.5	Low	70.9	Confident	153 Å²	153	115.4 Å²	115.4	82%	0.818	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	4.6	-177.2	-62.1	-20.9	0	0	0	113.2	S36	S36-N38 PolarHBondContact O-N 3.4Å; S36-N38 VanDerWaalsContact O-N 3.09Å
39	Y	75.2	Confident	72.6	Confident	183 Å²	183	114.9 Å²	114.9	72%	0.718	57%	0.574	S	S	*	*	S	Bend	trans	-109	138	-179.9	-69.4	-79.7	0	0	0	111.1	S36 S41	S36-Y39 PolarHBondContact O-N 3.32Å; S36-Y39 VanDerWaalsContact O-N 3.14Å; Y39-S41 PolarHBondContact O-N 3.23Å
40	L	77.9	Confident	74.3	Confident	110 Å²	110	106.4 Å²	106.4	58%	0.576	54%	0.543	S	S	*	.			trans	-72.7	90.1	171.3	-75.6	151.4	0	0	0	109.3	Q42 D117	L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-D117 HydrophobicContact CD1-CB 4.02Å
41	S	81.9	Confident	76.1	Confident	87 Å²	87	103.6 Å²	103.6	61%	0.608	54%	0.538	S	S	*	.			trans	-86.4	-1.7	178.9	74.9	0	0	0	0	113.9	Y39	Y39-S41 PolarHBondContact O-N 3.23Å
42	Q	84.4	Confident	77.7	Confident	149 Å²	149	98 Å²	98	70%	0.696	52%	0.518	S	S	*	.	S	Bend	trans	-75.9	138.4	-179.2	-63.2	-61.9	-30.9	0	0	110.3	L40	L40-Q42 VanDerWaalsContact C-N 3.33Å
43	P	89.3	Confident	79.1	Confident	104 Å²	104	97.9 Å²	97.9	68%	0.675	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-65.4	140.7	177.3	28.4	-33.9	0	0	0	110.2
44	R	91.6	Very high	80.6	Confident	133 Å²	133	97 Å²	97	50%	0.502	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-72.3	139.6	178	-67.1	174.2	179	177.3	-1.1	110.5	E113 F114	R44-E113 HydrophobicContact CB-CG 3.82Å; R44-E113 WeakPolarHBondContact CD-OE1 3.01Å; R44-E113 IonicContact CZ-OE1 3.71Å; R44-E113 IonicContact NE-OE1 2.81Å; R44-E113 IonicContact NH1-OE1 3.82Å; R44-E113 PolarHBondContact NH1-OE1 3.08Å; R44-F114 WeakPolarHBondContact CB-O 3.47Å; R44-F114 WeakPolarHBondContact CG-O 3.37Å
45	L	92.5	Very high	82.1	Confident	89 Å²	89	96 Å²	96	47%	0.466	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-88.9	129.1	178.8	-66.7	169.8	0	0	0	109.5	Y47 F114	L45-Y47 HydrophobicContact CB-CE2 3.64Å; L45-Y47 VanDerWaalsContact CD1-OH 3.28Å; L45-Y47 WeakPolarHBondContact CD1-OH 3.2Å; L45-F114 PolarHBondContact O-N 3.41Å; L45-F114 VanDerWaalsContact O-N 3.11Å
46	T	93	Very high	83.5	Confident	83 Å²	83	91.5 Å²	91.5	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.6	175.2	-46.8	0	0	0	0	109.9	C112	T46-C112 CarbonylContact C-O 3.53Å; T46-C112 WeakPolarHBondContact CA-O 3.5Å
47	Y	92.9	Very high	85.3	Confident	26 Å²	26	90.1 Å²	90.1	10%	0.102	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.4	179.9	-57.4	-87.6	0	0	0	110.3	L45 V63 K64 S111 C112 F114	L45-Y47 HydrophobicContact CB-CE2 3.64Å; L45-Y47 VanDerWaalsContact CD1-OH 3.28Å; L45-Y47 WeakPolarHBondContact CD1-OH 3.2Å; Y47-V63 HydrophobicContact CD2-CG1 4.48Å; Y47-V63 HydrophobicContact CE2-CG1 3.89Å; Y47-K64 PolarHBondContact OH-N 3.45Å; Y47-K64 VanDerWaalsContact OH-N 3.07Å; Y47-S111 WeakPolarHBondContact O-CA 3.36Å; Y47-C112 PolarHBondContact N-O 3.17Å; Y47-C112 PolarHBondContact O-N 3.3Å; Y47-F114 AromaticContact CD2-CD2 3.48Å; Y47-F114 HydrophobicContact CD2-CD2 3.48Å; Y47-F114 VanDerWaalsContact CD2-CD2 3.48Å; Y47-F114 AromaticContact CD2-CE2 3.68Å; Y47-F114 HydrophobicContact CD2-CE2 3.68Å; Y47-F114 HydrophobicContact CD2-CG 4.45Å; Y47-F114 AromaticContact CE2-CD2 3.68Å; Y47-F114 HydrophobicContact CE2-CD2 3.68Å; Y47-F114 HydrophobicContact CE2-CE2 4.12Å; Y47-F114 HydrophobicContact CE2-CG 4.22Å
48	R	91.7	Very high	87.4	Confident	180 Å²	180	80.2 Å²	80.2	68%	0.679	43%	0.428	S	S	*	.			trans	-114.8	23.8	171.2	-66.6	-175.9	177.7	176.2	-1.2	111.6	V50	R48-V50 PolarHBondContact O-N 3.42Å
49	T	91.2	Very high	88.6	Confident	54 Å²	54	75.7 Å²	75.7	33%	0.331	40%	0.403	S	S	.	.			trans	-102.1	50.7	-172.8	47.4	0	0	0	0	110.5	S51 D61	T49-S51 PolarHBondContact O-N 3.37Å; T49-D61 WeakPolarHBondContact CB-O 3.3Å; T49-D61 PolarHBondContact O-N 3.37Å; T49-D61 PolarHBondContact OG1-O 2.79Å
50	V	92.3	Very high	89.5	Confident	12 Å²	12	67 Å²	67	7%	0.073	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	118.3	173	179.7	0	0	0	0	107.9	R48 V53 V58 L60 A107	R48-V50 PolarHBondContact O-N 3.42Å; V50-V53 HydrophobicContact CG1-CG2 4.26Å; V50-V58 HydrophobicContact CG1-CG1 3.77Å; V50-V58 HydrophobicContact CG2-CG1 4.36Å; V50-L60 HydrophobicContact CG2-CD2 4.31Å; V50-A107 HydrophobicContact CG1-CB 4.49Å
51	S	91.6	Very high	90.2	Very high	67 Å²	67	63 Å²	63	47%	0.469	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-38.9	-176.1	-165.7	0	0	0	0	111.5	T49 I59 D61	T49-S51 PolarHBondContact O-N 3.37Å; S51-I59 PolarHBondContact N-O 2.98Å; S51-D61 WeakPolarHBondContact CB-OD2 3.37Å; S51-D61 PolarHBondContact OG-OD2 3.04Å
52	G	88.9	Confident	90.7	Very high	24 Å²	24	65.4 Å²	65.4	25%	0.247	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	163.7	-179.8	0	0	0	0	0	112.9	I59	G52-I59 PolarHBondContact N-O 3.48Å; G52-I59 PolarHBondContact O-N 2.92Å
53	V	90	Very high	91.2	Very high	60 Å²	60	58.6 Å²	58.6	36%	0.364	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.1	177.4	-177.5	0	0	0	0	107.5	V50 L57 V58 T102 I105	V50-V53 HydrophobicContact CG1-CG2 4.26Å; V53-L57 WeakPolarHBondContact CA-O 3.42Å; V53-V58 HydrophobicContact CG1-CG2 4.46Å; V53-V58 HydrophobicContact CG2-CG2 4.41Å; V53-T102 HydrophobicContact CG1-CG2 3.87Å; V53-I105 HydrophobicContact CG2-CB 4.43Å; V53-I105 HydrophobicContact CG2-CG2 3.84Å
54	N	86.4	Confident	91.3	Very high	96 Å²	96	60.8 Å²	60.8	51%	0.513	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	116.6	179.2	-173.1	11.4	0	0	0	110.2	L57	N54-L57 PolarHBondContact N-O 3.4Å; N54-L57 WeakPolarHBondContact O-CA 3.4Å; N54-L57 WeakPolarHBondContact O-CB 3.42Å; N54-L57 PolarHBondContact O-N 3.02Å
55	G	86.3	Confident	91.3	Very high	44 Å²	44	63.9 Å²	63.9	45%	0.454	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	-125.8	-175.9	0	0	0	0	0	111.3	L57 T102	G55-L57 VanDerWaalsContact C-N 3.28Å; G55-L57 PolarHBondContact O-N 3.37Å; G55-T102 WeakPolarHBondContact O-CB 3.49Å; G55-T102 WeakPolarHBondContact O-CG2 3.44Å; G55-T102 PolarHBondContact O-OG1 2.96Å
56	P	87.4	Confident	91.3	Very high	18 Å²	18	60.5 Å²	60.5	12%	0.117	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.4	177	33.7	-35.1	0	0	0	114.8	V98 I269 A313	P56-V98 PolarHBondContact O-N 3.07Å; P56-V98 VanDerWaalsContact O-N 3.14Å; P56-I269 HydrophobicContact CB-CD1 4.26Å; P56-I269 HydrophobicContact CB-CG1 4.45Å; P56-A313 HydrophobicContact CG-CB 3.8Å
57	L	90.7	Very high	91.3	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.2	-171.6	-52.6	176.1	0	0	0	112.2	V53 N54 G55 L87 V95 Q97 R314	V53-L57 WeakPolarHBondContact CA-O 3.42Å; N54-L57 PolarHBondContact N-O 3.4Å; N54-L57 WeakPolarHBondContact O-CA 3.4Å; N54-L57 WeakPolarHBondContact O-CB 3.42Å; N54-L57 PolarHBondContact O-N 3.02Å; G55-L57 VanDerWaalsContact C-N 3.28Å; G55-L57 PolarHBondContact O-N 3.37Å; L57-L87 HydrophobicContact CD2-CD1 3.91Å; L57-V95 HydrophobicContact CB-CG1 4.36Å; L57-V95 HydrophobicContact CD1-CG1 4.34Å; L57-V95 HydrophobicContact CD2-CG1 4.32Å; L57-Q97 HydrophobicContact CD2-CB 4.07Å; L57-Q97 HydrophobicContact CD2-CG 4.37Å; L57-R314 HydrophobicContact CD1-CG 3.9Å
58	V	93.1	Very high	91.3	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.5	172.6	178.6	0	0	0	0	108.3	V50 V53 L60 L74 V96 V98 T102 I105	V50-V58 HydrophobicContact CG1-CG1 3.77Å; V50-V58 HydrophobicContact CG2-CG1 4.36Å; V53-V58 HydrophobicContact CG1-CG2 4.46Å; V53-V58 HydrophobicContact CG2-CG2 4.41Å; V58-L60 HydrophobicContact CG1-CD1 4.24Å; V58-L74 HydrophobicContact CG1-CD2 4.43Å; V58-L74 HydrophobicContact CG2-CD2 4.28Å; V58-V96 PolarHBondContact N-O 3.44Å; V58-V96 PolarHBondContact O-N 3.32Å; V58-V98 HydrophobicContact CB-CG2 4.32Å; V58-V98 HydrophobicContact CG2-CG2 3.52Å; V58-T102 HydrophobicContact CG2-CG2 3.94Å; V58-I105 HydrophobicContact CG2-CD1 3.74Å
59	I	93.3	Very high	91.3	Very high	57 Å²	57	61.9 Å²	61.9	29%	0.292	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.6	-178.1	-55.5	169.8	0	0	0	108.4	S51 G52	S51-I59 PolarHBondContact N-O 2.98Å; G52-I59 PolarHBondContact N-O 3.48Å; G52-I59 PolarHBondContact O-N 2.92Å
60	L	93.7	Very high	91.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.4	175.1	-67.4	108.5	0	0	0	111.1	V50 V58 V63 K93 A94 V96 C112 F114	V50-L60 HydrophobicContact CG2-CD2 4.31Å; V58-L60 HydrophobicContact CG1-CD1 4.24Å; L60-V63 HydrophobicContact CB-CG2 3.76Å; L60-K93 WeakPolarHBondContact O-CA 3.28Å; L60-A94 PolarHBondContact N-O 3.29Å; L60-A94 PolarHBondContact O-N 3.15Å; L60-V96 HydrophobicContact CD1-CB 4.1Å; L60-V96 HydrophobicContact CD1-CG2 3.46Å; L60-V96 VanDerWaalsContact CD1-CG2 3.46Å; L60-C112 HydrophobicContact CD2-CB 3.69Å; L60-F114 HydrophobicContact CD1-CZ 4.35Å; L60-F114 HydrophobicContact CD2-CE2 4.21Å
61	D	92.6	Very high	91.5	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.15	30%	0.304	C	S	.	.			trans	-109.6	160.4	173.1	-76.4	-30.9	0	0	0	110.9	T49 S51 V63 K93	T49-D61 WeakPolarHBondContact CB-O 3.3Å; T49-D61 PolarHBondContact O-N 3.37Å; T49-D61 PolarHBondContact OG1-O 2.79Å; S51-D61 WeakPolarHBondContact CB-OD2 3.37Å; S51-D61 PolarHBondContact OG-OD2 3.04Å; D61-V63 VanDerWaalsContact C-N 3.27Å; D61-V63 PolarHBondContact O-N 3.25Å; D61-K93 WeakPolarHBondContact OD1-CD 3.43Å; D61-K93 WeakPolarHBondContact OD1-CE 3.32Å; D61-K93 WeakPolarHBondContact OD1-CG 3.48Å; D61-K93 IonicContact OD1-NZ 3.67Å
62	H	92.7	Very high	91.6	Very high	137 Å²	137	56.6 Å²	56.6	63%	0.634	28%	0.281	S	S	*	.	S	Bend	trans	60.5	29.6	177.5	-53.6	87.7	0	0	0	114.8	S92	H62-S92 PolarHBondContact N-O 3.41Å; H62-S92 VanDerWaalsContact N-O 3.08Å
63	V	93.2	Very high	91.9	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.03	28%	0.284	C	S	.	.			trans	-78.4	133.1	174.1	-173.1	0	0	0	0	109.3	Y47 L60 D61 P66 S92 A94 F114	Y47-V63 HydrophobicContact CD2-CG1 4.48Å; Y47-V63 HydrophobicContact CE2-CG1 3.89Å; L60-V63 HydrophobicContact CB-CG2 3.76Å; D61-V63 VanDerWaalsContact C-N 3.27Å; D61-V63 PolarHBondContact O-N 3.25Å; V63-P66 HydrophobicContact CB-CB 4.42Å; V63-P66 HydrophobicContact CB-CG 4.44Å; V63-P66 HydrophobicContact CG1-CB 3.83Å; V63-P66 HydrophobicContact CG1-CG 4.29Å; V63-S92 PolarHBondContact N-O 2.82Å; V63-A94 HydrophobicContact CG2-CB 4.24Å; V63-F114 HydrophobicContact CG1-CD1 4.37Å; V63-F114 HydrophobicContact CG1-CE1 3.96Å; V63-F114 HydrophobicContact CG1-CE2 4.24Å; V63-F114 HydrophobicContact CG1-CZ 3.89Å; V63-F114 HydrophobicContact CG2-CE2 4.32Å; V63-F114 HydrophobicContact CG2-CZ 4.03Å
64	K	92.1	Very high	92.1	Very high	150 Å²	150	55.6 Å²	55.6	65%	0.652	27%	0.266	S	S	*	.	S	Bend	trans	-87.3	116.7	178.2	-62.6	-176.8	-179.9	179.6	0	109.8	Y47	Y47-K64 PolarHBondContact OH-N 3.45Å; Y47-K64 VanDerWaalsContact OH-N 3.07Å
65	F	91.7	Very high	92.5	Very high	198 Å²	198	53 Å²	53	87%	0.868	25%	0.254	S	S	*	.	S	Bend	trans	48.8	54.7	175.5	-53	-72.5	0	0	0	114.2
66	P	92.3	Very high	92.8	Very high	18 Å²	18	51.1 Å²	51.1	12%	0.117	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-61.9	141.6	177.6	29.1	-35.3	0	0	0	110.8	V63 V89 A94	V63-P66 HydrophobicContact CB-CB 4.42Å; V63-P66 HydrophobicContact CB-CG 4.44Å; V63-P66 HydrophobicContact CG1-CB 3.83Å; V63-P66 HydrophobicContact CG1-CG 4.29Å; P66-V89 HydrophobicContact CB-CB 4.49Å; P66-V89 HydrophobicContact CB-CG1 3.67Å; P66-V89 HydrophobicContact CG-CB 3.98Å; P66-V89 HydrophobicContact CG-CG1 3.7Å; P66-A94 HydrophobicContact CB-CB 4.04Å; P66-A94 HydrophobicContact CG-CB 4.4Å
67	R	92.8	Very high	92.9	Very high	142 Å²	142	53.3 Å²	53.3	54%	0.536	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-97	149.2	175.3	-65.3	179.4	175.8	-166.7	-4.4	110.8	E70 V86 G116	R67-E70 HydrophobicContact CB-CB 4Å; R67-E70 HydrophobicContact CB-CG 4.4Å; R67-E70 WeakPolarHBondContact CB-OE2 3.48Å; R67-E70 PolarHBondContact N-OE2 3.4Å; R67-E70 WeakPolarHBondContact O-CB 3.32Å; R67-V86 WeakPolarHBondContact O-CB 3.35Å; R67-V86 WeakPolarHBondContact O-CG1 3.37Å; R67-G116 PolarHBondContact NH1-O 3.27Å
68	Y	93	Very high	92.9	Very high	161 Å²	161	58 Å²	58	63%	0.631	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	141.7	171.7	-178.2	-96.4	0	0	0	110.3	E70 L87	Y68-E70 PolarHBondContact O-N 2.77Å; Y68-E70 VanDerWaalsContact O-N 3.13Å; Y68-L87 WeakPolarHBondContact CE2-O 3.31Å
69	A	91.9	Very high	92.8	Very high	16 Å²	16	60.3 Å²	60.3	13%	0.132	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	14.8	-178.5	0	0	0	0	0	115.5	Q85 V86 I118	A69-Q85 PolarHBondContact O-NE2 3.3Å; A69-V86 VanDerWaalsContact CA-O 3.24Å; A69-V86 WeakPolarHBondContact CA-O 3.34Å; A69-V86 PolarHBondContact N-O 3.12Å; A69-I118 HydrophobicContact CB-CG2 4.49Å
70	E	94.3	Very high	92.7	Very high	9 Å²	9	60.4 Å²	60.4	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.6	178.2	-168.3	-176.7	166.7	0	0	111.7	R67 Y68 Q85 V86 F114 G116 D117	R67-E70 HydrophobicContact CB-CB 4Å; R67-E70 HydrophobicContact CB-CG 4.4Å; R67-E70 WeakPolarHBondContact CB-OE2 3.48Å; R67-E70 PolarHBondContact N-OE2 3.4Å; R67-E70 WeakPolarHBondContact O-CB 3.32Å; Y68-E70 PolarHBondContact O-N 2.77Å; Y68-E70 VanDerWaalsContact O-N 3.13Å; E70-Q85 CarbonylContact O-C 3.56Å; E70-Q85 WeakPolarHBondContact O-CA 3.38Å; E70-V86 HydrophobicContact CB-CB 4.31Å; E70-V86 HydrophobicContact CB-CG2 3.9Å; E70-V86 PolarHBondContact O-N 3.29Å; E70-F114 WeakPolarHBondContact OE1-CB 3.29Å; E70-G116 WeakPolarHBondContact OE1-CA 3.39Å; E70-G116 PolarHBondContact OE1-N 3.36Å; E70-D117 WeakPolarHBondContact CA-O 3.45Å; E70-D117 WeakPolarHBondContact CG-O 3.47Å
71	I	94.1	Very high	92.6	Very high	12 Å²	12	68.4 Å²	68.4	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.8	174.3	-71.9	-66.6	0	0	0	111.8	G84 Q85 F99 T115 D117 L119	I71-G84 WeakPolarHBondContact CA-O 3.21Å; I71-G84 WeakPolarHBondContact CD1-O 3.26Å; I71-Q85 HydrophobicContact CD1-CB 4.24Å; I71-F99 HydrophobicContact CD1-CE2 4.04Å; I71-F99 HydrophobicContact CD1-CZ 4.13Å; I71-T115 HydrophobicContact CB-CG2 4.46Å; I71-T115 HydrophobicContact CG2-CG2 4.01Å; I71-T115 WeakPolarHBondContact O-CB 3.42Å; I71-T115 WeakPolarHBondContact O-CG2 3.43Å; I71-T115 PolarHBondContact O-N 3.07Å; I71-T115 VanDerWaalsContact O-N 3.08Å; I71-T115 PolarHBondContact O-OG1 2.81Å; I71-D117 PolarHBondContact N-O 3.19Å; I71-L119 HydrophobicContact CD1-CB 3.78Å; I71-L119 HydrophobicContact CD1-CD1 3.9Å; I71-L119 HydrophobicContact CD1-CD2 4.09Å; I71-L119 HydrophobicContact CD1-CG 4.12Å; I71-L119 HydrophobicContact CG1-CB 3.63Å; I71-L119 HydrophobicContact CG1-CD1 3.92Å; I71-L119 HydrophobicContact CG1-CG 4.26Å
72	V	93.8	Very high	92.6	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.6	178.5	-175	0	0	0	0	109	L74 G84 V86 V96 C112 E113 F114	V72-L74 HydrophobicContact CG1-CD1 4.33Å; V72-G84 PolarHBondContact N-O 3.42Å; V72-G84 PolarHBondContact O-N 3.04Å; V72-V86 HydrophobicContact CG2-CG2 3.78Å; V72-V96 HydrophobicContact CB-CG1 4.11Å; V72-V96 HydrophobicContact CG2-CG1 4.2Å; V72-V96 HydrophobicContact CG2-CG2 4.06Å; V72-C112 HydrophobicContact CG1-CB 3.87Å; V72-E113 CarbonylContact C-O 3.25Å; V72-E113 WeakPolarHBondContact CA-O 3.4Å; V72-E113 WeakPolarHBondContact CG1-O 3.31Å; V72-F114 HydrophobicContact CG1-CD2 4.2Å; V72-F114 HydrophobicContact CG1-CE2 4.13Å; V72-F114 HydrophobicContact CG1-CZ 4.47Å; V72-F114 HydrophobicContact CG2-CD1 3.77Å; V72-F114 HydrophobicContact CG2-CD2 4.4Å; V72-F114 HydrophobicContact CG2-CE1 3.66Å; V72-F114 HydrophobicContact CG2-CE2 4.32Å; V72-F114 HydrophobicContact CG2-CG 4.15Å; V72-F114 HydrophobicContact CG2-CZ 3.96Å
73	H	94.5	Very high	92.5	Very high	63 Å²	63	63.8 Å²	63.8	29%	0.292	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.5	170.8	-63.1	-53.5	0	0	0	109.7	C112 E113 T115	H73-C112 CarbonylContact O-C 3.56Å; H73-C112 WeakPolarHBondContact O-CA 3.34Å; H73-E113 HydrophobicContact CB-CB 4.48Å; H73-E113 PolarHBondContact N-O 3.35Å; H73-E113 PolarHBondContact O-N 3.31Å; H73-T115 VanDerWaalsContact CD2-CG2 3.44Å; H73-T115 WeakPolarHBondContact CD2-CG2 3.38Å; H73-T115 WeakPolarHBondContact NE2-CG2 3.26Å
74	L	93.4	Very high	92.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129	176.6	-62.1	90.6	0	0	0	108.7	V58 V72 K81 R82 V98 I105	V58-L74 HydrophobicContact CG1-CD2 4.43Å; V58-L74 HydrophobicContact CG2-CD2 4.28Å; V72-L74 HydrophobicContact CG1-CD1 4.33Å; L74-K81 CarbonylContact O-C 3.59Å; L74-K81 WeakPolarHBondContact O-CA 3.21Å; L74-R82 HydrophobicContact CB-CB 4.35Å; L74-R82 PolarHBondContact N-O 2.65Å; L74-R82 PolarHBondContact O-N 3.46Å; L74-V98 HydrophobicContact CD1-CG2 4.08Å; L74-V98 HydrophobicContact CD2-CG2 3.77Å; L74-I105 HydrophobicContact CD2-CD1 4.15Å
75	T	94.9	Very high	92.5	Very high	41 Å²	41	57.7 Å²	57.7	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.6	169.8	-53.7	0	0	0	0	108.2	T110 S111	T75-T110 WeakPolarHBondContact O-CG2 3.34Å; T75-S111 PolarHBondContact N-O 3.26Å; T75-S111 PolarHBondContact O-N 2.99Å; T75-S111 VanDerWaalsContact O-N 3.11Å
76	L	93.1	Very high	92.6	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.247	C	C	.	.			trans	-72.5	166.1	178.6	-88.7	74.2	0	0	0	111.2	D78 G79 T80 R82 I105	L76-D78 WeakPolarHBondContact CB-OD1 3.31Å; L76-D78 PolarHBondContact O-N 2.72Å; L76-G79 PolarHBondContact O-N 3.23Å; L76-T80 WeakPolarHBondContact CB-OG1 3.44Å; L76-T80 PolarHBondContact N-O 3.27Å; L76-R82 HydrophobicContact CD1-CB 4.45Å; L76-R82 HydrophobicContact CD1-CG 4.02Å; L76-I105 HydrophobicContact CD1-CG1 4.12Å; L76-I105 HydrophobicContact CD2-CG1 4.34Å; L76-I105 HydrophobicContact CG-CG1 4.19Å
77	P	90.7	Very high	92.5	Very high	64 Å²	64	48.6 Å²	48.6	42%	0.416	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	179.7	-20.6	33.3	0	0	0	114	D106 K109	P77-D106 HydrophobicContact CG-CB 3.8Å; P77-K109 HydrophobicContact CB-CB 3.95Å; P77-K109 HydrophobicContact CB-CD 4.24Å; P77-K109 HydrophobicContact CG-CB 3.71Å
78	D	90.8	Very high	92.5	Very high	111 Å²	111	46.3 Å²	46.3	59%	0.594	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.3	175	62.7	-0.9	0	0	0	113.1	L76 T80	L76-D78 WeakPolarHBondContact CB-OD1 3.31Å; L76-D78 PolarHBondContact O-N 2.72Å; D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 VanDerWaalsContact CG-OG1 3.32Å; D78-T80 WeakPolarHBondContact OD1-CB 3.24Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.45Å; D78-T80 PolarHBondContact OD1-N 2.93Å; D78-T80 PolarHBondContact OD1-OG1 2.96Å; D78-T80 WeakPolarHBondContact OD2-CG2 3.22Å; D78-T80 PolarHBondContact OD2-OG1 3.17Å
79	G	89.4	Confident	92.5	Very high	49 Å²	49	41.3 Å²	41.3	51%	0.505	23%	0.229	S	C	.	.	S	Bend	trans	86.4	-1	-176	0	0	0	0	0	114.3	L76	L76-G79 PolarHBondContact O-N 3.23Å
80	T	92.1	Very high	92.6	Very high	60 Å²	60	44.3 Å²	44.3	37%	0.368	25%	0.249	S	C	.	.			trans	-67.4	137.9	175	62.3	0	0	0	0	110.3	L76 D78	L76-T80 WeakPolarHBondContact CB-OG1 3.44Å; L76-T80 PolarHBondContact N-O 3.27Å; D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 VanDerWaalsContact CG-OG1 3.32Å; D78-T80 WeakPolarHBondContact OD1-CB 3.24Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.45Å; D78-T80 PolarHBondContact OD1-N 2.93Å; D78-T80 PolarHBondContact OD1-OG1 2.96Å; D78-T80 WeakPolarHBondContact OD2-CG2 3.22Å; D78-T80 PolarHBondContact OD2-OG1 3.17Å
81	K	92.1	Very high	92.5	Very high	168 Å²	168	47.5 Å²	47.5	73%	0.73	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	179.1	-67.1	-176.2	178.9	-176.1	0	109.6	L74	L74-K81 CarbonylContact O-C 3.59Å; L74-K81 WeakPolarHBondContact O-CA 3.21Å
82	R	91.5	Very high	92.4	Very high	40 Å²	40	49.7 Å²	49.7	15%	0.151	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.1	173.5	-67.6	-171.4	-176.2	161.5	11.3	109.8	L74 L76 V98 E100 G101 S103	L74-R82 HydrophobicContact CB-CB 4.35Å; L74-R82 PolarHBondContact N-O 2.65Å; L74-R82 PolarHBondContact O-N 3.46Å; L76-R82 HydrophobicContact CD1-CB 4.45Å; L76-R82 HydrophobicContact CD1-CG 4.02Å; R82-V98 HydrophobicContact CB-CG1 3.9Å; R82-E100 WeakPolarHBondContact CA-OE2 3.3Å; R82-E100 VanDerWaalsContact CB-OE2 3.3Å; R82-E100 WeakPolarHBondContact CB-OE2 3.3Å; R82-E100 HydrophobicContact CG-CB 4.01Å; R82-E100 HydrophobicContact CG-CG 4.48Å; R82-G101 PolarHBondContact NH1-O 3.08Å; R82-S103 VanDerWaalsContact CZ-O 3.27Å; R82-S103 PolarHBondContact NH1-O 3.15Å; R82-S103 PolarHBondContact NH2-O 2.94Å
83	S	91.5	Very high	92.4	Very high	28 Å²	28	54.7 Å²	54.7	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.2	176.3	-55.5	0	0	0	0	109.6	F99 E100	S83-F99 PolarHBondContact O-N 3.19Å; S83-E100 PolarHBondContact N-OE1 2.83Å; S83-E100 PolarHBondContact N-OE2 3.36Å
84	G	90.9	Very high	92.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	166.9	175.7	0	0	0	0	0	111.8	I71 V72 Q97	I71-G84 WeakPolarHBondContact CA-O 3.21Å; I71-G84 WeakPolarHBondContact CD1-O 3.26Å; V72-G84 PolarHBondContact N-O 3.42Å; V72-G84 PolarHBondContact O-N 3.04Å; G84-Q97 CarbonylContact C-O 3.57Å; G84-Q97 WeakPolarHBondContact CA-O 3.3Å
85	Q	93.1	Very high	92.4	Very high	27 Å²	27	53.1 Å²	53.1	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.9	179.5	-172.6	172.9	34.9	0	0	110.2	A69 E70 I71 L87 V96 Q97 F99	A69-Q85 PolarHBondContact O-NE2 3.3Å; E70-Q85 CarbonylContact O-C 3.56Å; E70-Q85 WeakPolarHBondContact O-CA 3.38Å; I71-Q85 HydrophobicContact CD1-CB 4.24Å; Q85-L87 PolarHBondContact O-N 3.13Å; Q85-V96 CarbonylContact O-C 3.6Å; Q85-V96 WeakPolarHBondContact O-CA 3.42Å; Q85-Q97 PolarHBondContact N-O 3.13Å; Q85-Q97 PolarHBondContact O-N 3.43Å; Q85-F99 HydrophobicContact CB-CE1 4.11Å; Q85-F99 HydrophobicContact CB-CZ 3.91Å
86	V	94.2	Very high	92.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.8	173.2	-178.1	0	0	0	0	109.3	R67 A69 E70 V72 V89 A94 V96 F114	R67-V86 WeakPolarHBondContact O-CB 3.35Å; R67-V86 WeakPolarHBondContact O-CG1 3.37Å; A69-V86 VanDerWaalsContact CA-O 3.24Å; A69-V86 WeakPolarHBondContact CA-O 3.34Å; A69-V86 PolarHBondContact N-O 3.12Å; E70-V86 HydrophobicContact CB-CB 4.31Å; E70-V86 HydrophobicContact CB-CG2 3.9Å; E70-V86 PolarHBondContact O-N 3.29Å; V72-V86 HydrophobicContact CG2-CG2 3.78Å; V86-V89 HydrophobicContact CG1-CG1 3.53Å; V86-A94 HydrophobicContact CG1-CB 4.46Å; V86-V96 HydrophobicContact CG2-CG2 4.07Å; V86-F114 HydrophobicContact CG2-CE1 3.88Å
87	L	90.9	Very high	92.2	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.12	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-34.4	177.3	-69.7	-173.8	0	0	0	113.1	L57 Y68 Q85 V95 Q97 V310	L57-L87 HydrophobicContact CD2-CD1 3.91Å; Y68-L87 WeakPolarHBondContact CE2-O 3.31Å; Q85-L87 PolarHBondContact O-N 3.13Å; L87-V95 PolarHBondContact N-O 3.33Å; L87-Q97 HydrophobicContact CD1-CB 3.64Å; L87-Q97 HydrophobicContact CD1-CG 4.34Å; L87-Q97 HydrophobicContact CD2-CB 4.46Å; L87-Q97 HydrophobicContact CG-CB 3.79Å; L87-V310 HydrophobicContact CD1-CG1 4.47Å
88	E	91.4	Very high	92.2	Very high	95 Å²	95	48.2 Å²	48.2	44%	0.444	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.3	-176.1	-168.4	176.6	158	0	0	110.6	A94 V95 R314	E88-A94 WeakPolarHBondContact O-CA 3.36Å; E88-V95 HydrophobicContact CB-CB 4.12Å; E88-V95 HydrophobicContact CB-CG2 4.19Å; E88-V95 PolarHBondContact N-O 3.21Å; E88-V95 PolarHBondContact O-N 3.05Å; E88-R314 IonicContact OE2-NH2 3.97Å
89	V	93.6	Very high	92.1	Very high	56 Å²	56	43.3 Å²	43.3	34%	0.339	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.1	176.8	-63.2	0	0	0	0	109.3	P66 V86 K93	P66-V89 HydrophobicContact CB-CB 4.49Å; P66-V89 HydrophobicContact CB-CG1 3.67Å; P66-V89 HydrophobicContact CG-CB 3.98Å; P66-V89 HydrophobicContact CG-CG1 3.7Å; V86-V89 HydrophobicContact CG1-CG1 3.53Å; V89-K93 WeakPolarHBondContact CA-O 3.47Å
90	S	93.5	Very high	92	Very high	79 Å²	79	43.1 Å²	43.1	55%	0.552	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	103.8	177.6	-175.2	0	0	0	0	109.7	S92 K93	S90-S92 PolarHBondContact O-N 3.03Å; S90-K93 PolarHBondContact N-O 2.97Å; S90-K93 WeakPolarHBondContact O-CB 3.46Å; S90-K93 PolarHBondContact O-N 2.72Å
91	G	92.4	Very high	91.7	Very high	75 Å²	75	41.2 Å²	41.2	77%	0.773	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-109.8	-173.6	0	0	0	0	0	111.8
92	S	92.8	Very high	91.5	Very high	58 Å²	58	34.5 Å²	34.5	41%	0.406	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.3	176.9	62.7	0	0	0	0	114	H62 V63 S90	H62-S92 PolarHBondContact N-O 3.41Å; H62-S92 VanDerWaalsContact N-O 3.08Å; V63-S92 PolarHBondContact N-O 2.82Å; S90-S92 PolarHBondContact O-N 3.03Å
93	K	93.4	Very high	91.4	Very high	106 Å²	106	37.2 Å²	37.2	46%	0.461	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.6	177.6	-55.7	-156.2	173.7	-167.9	0	110.6	L60 D61 V89 S90	L60-K93 WeakPolarHBondContact O-CA 3.28Å; D61-K93 WeakPolarHBondContact OD1-CD 3.43Å; D61-K93 WeakPolarHBondContact OD1-CE 3.32Å; D61-K93 WeakPolarHBondContact OD1-CG 3.48Å; D61-K93 IonicContact OD1-NZ 3.67Å; V89-K93 WeakPolarHBondContact CA-O 3.47Å; S90-K93 PolarHBondContact N-O 2.97Å; S90-K93 WeakPolarHBondContact O-CB 3.46Å; S90-K93 PolarHBondContact O-N 2.72Å
94	A	94.1	Very high	91.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.4	173.5	0	0	0	0	0	109.9	L60 V63 P66 V86 E88 F114	L60-A94 PolarHBondContact N-O 3.29Å; L60-A94 PolarHBondContact O-N 3.15Å; V63-A94 HydrophobicContact CG2-CB 4.24Å; P66-A94 HydrophobicContact CB-CB 4.04Å; P66-A94 HydrophobicContact CG-CB 4.4Å; V86-A94 HydrophobicContact CG1-CB 4.46Å; E88-A94 WeakPolarHBondContact O-CA 3.36Å; A94-F114 HydrophobicContact CB-CE1 4.47Å; A94-F114 HydrophobicContact CB-CZ 4.36Å
95	V	93.1	Very high	91.1	Very high	30 Å²	30	39.9 Å²	39.9	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.6	172.2	-175.9	0	0	0	0	107.5	L57 L87 E88	L57-V95 HydrophobicContact CB-CG1 4.36Å; L57-V95 HydrophobicContact CD1-CG1 4.34Å; L57-V95 HydrophobicContact CD2-CG1 4.32Å; L87-V95 PolarHBondContact N-O 3.33Å; E88-V95 HydrophobicContact CB-CB 4.12Å; E88-V95 HydrophobicContact CB-CG2 4.19Å; E88-V95 PolarHBondContact N-O 3.21Å; E88-V95 PolarHBondContact O-N 3.05Å
96	V	93.4	Very high	90.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.7	-178.7	-177.9	0	0	0	0	108.9	V58 L60 V72 Q85 V86 F114	V58-V96 PolarHBondContact N-O 3.44Å; V58-V96 PolarHBondContact O-N 3.32Å; L60-V96 HydrophobicContact CD1-CB 4.1Å; L60-V96 HydrophobicContact CD1-CG2 3.46Å; L60-V96 VanDerWaalsContact CD1-CG2 3.46Å; V72-V96 HydrophobicContact CB-CG1 4.11Å; V72-V96 HydrophobicContact CG2-CG1 4.2Å; V72-V96 HydrophobicContact CG2-CG2 4.06Å; Q85-V96 CarbonylContact O-C 3.6Å; Q85-V96 WeakPolarHBondContact O-CA 3.42Å; V86-V96 HydrophobicContact CG2-CG2 4.07Å; V96-F114 HydrophobicContact CG2-CZ 4.42Å
97	Q	91.1	Very high	90.6	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.033	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.4	171	179.5	176.8	32.2	0	0	109.8	L57 G84 Q85 L87 I269	L57-Q97 HydrophobicContact CD2-CB 4.07Å; L57-Q97 HydrophobicContact CD2-CG 4.37Å; G84-Q97 CarbonylContact C-O 3.57Å; G84-Q97 WeakPolarHBondContact CA-O 3.3Å; Q85-Q97 PolarHBondContact N-O 3.13Å; Q85-Q97 PolarHBondContact O-N 3.43Å; L87-Q97 HydrophobicContact CD1-CB 3.64Å; L87-Q97 HydrophobicContact CD1-CG 4.34Å; L87-Q97 HydrophobicContact CD2-CB 4.46Å; L87-Q97 HydrophobicContact CG-CB 3.79Å; Q97-I269 HydrophobicContact CG-CG1 4.36Å; Q97-I269 HydrophobicContact CG-CG2 3.92Å
98	V	91.6	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.4	-179.7	-174	0	0	0	0	109.8	P56 V58 L74 R82 G101 T102 I105	P56-V98 PolarHBondContact O-N 3.07Å; P56-V98 VanDerWaalsContact O-N 3.14Å; V58-V98 HydrophobicContact CB-CG2 4.32Å; V58-V98 HydrophobicContact CG2-CG2 3.52Å; L74-V98 HydrophobicContact CD1-CG2 4.08Å; L74-V98 HydrophobicContact CD2-CG2 3.77Å; R82-V98 HydrophobicContact CB-CG1 3.9Å; V98-G101 WeakPolarHBondContact CG1-O 3.35Å; V98-T102 HydrophobicContact CB-CG2 4.4Å; V98-T102 HydrophobicContact CG2-CG2 4.31Å; V98-I105 HydrophobicContact CG2-CD1 4.14Å
99	F	87.9	Confident	90.4	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.031	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-47.4	-177.5	-62.6	-33.3	0	0	0	111.8	I71 S83 Q85 G101 L119 P267 I269 I273	I71-F99 HydrophobicContact CD1-CE2 4.04Å; I71-F99 HydrophobicContact CD1-CZ 4.13Å; S83-F99 PolarHBondContact O-N 3.19Å; Q85-F99 HydrophobicContact CB-CE1 4.11Å; Q85-F99 HydrophobicContact CB-CZ 3.91Å; F99-G101 PolarHBondContact O-N 3.04Å; F99-L119 HydrophobicContact CE2-CD2 4.33Å; F99-L119 HydrophobicContact CZ-CD2 4.21Å; F99-P267 WeakPolarHBondContact O-CB 3.35Å; F99-I269 HydrophobicContact CD1-CB 4.34Å; F99-I269 HydrophobicContact CD1-CG2 3.55Å; F99-I269 HydrophobicContact CE1-CG2 4.1Å; F99-I273 HydrophobicContact CD2-CD1 4.28Å; F99-I273 HydrophobicContact CE1-CG2 4.27Å; F99-I273 HydrophobicContact CE2-CD1 4.17Å; F99-I273 HydrophobicContact CZ-CD1 4.33Å; F99-I273 HydrophobicContact CZ-CG2 4.22Å
100	E	87.2	Confident	90.4	Very high	45 Å²	45	51 Å²	51	21%	0.21	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	8.4	-177.8	-53.8	91.8	154	0	0	114.3	R82 S83 K137	R82-E100 WeakPolarHBondContact CA-OE2 3.3Å; R82-E100 VanDerWaalsContact CB-OE2 3.3Å; R82-E100 WeakPolarHBondContact CB-OE2 3.3Å; R82-E100 HydrophobicContact CG-CB 4.01Å; R82-E100 HydrophobicContact CG-CG 4.48Å; S83-E100 PolarHBondContact N-OE1 2.83Å; S83-E100 PolarHBondContact N-OE2 3.36Å; E100-K137 IonicContact OE1-NZ 3.71Å
101	G	86.4	Confident	90.4	Very high	21 Å²	21	48.2 Å²	48.2	22%	0.216	30%	0.295	C	S	.	.			trans	84.8	176.8	-177.2	0	0	0	0	0	114.1	R82 V98 F99	R82-G101 PolarHBondContact NH1-O 3.08Å; V98-G101 WeakPolarHBondContact CG1-O 3.35Å; F99-G101 PolarHBondContact O-N 3.04Å
102	T	88.5	Confident	90.4	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.16	26%	0.258	C	S	.	.	S	Bend	trans	-109	1.8	-170.4	57	0	0	0	0	114.4	V53 G55 V58 V98 G104 I105	V53-T102 HydrophobicContact CG1-CG2 3.87Å; G55-T102 WeakPolarHBondContact O-CB 3.49Å; G55-T102 WeakPolarHBondContact O-CG2 3.44Å; G55-T102 PolarHBondContact O-OG1 2.96Å; V58-T102 HydrophobicContact CG2-CG2 3.94Å; V98-T102 HydrophobicContact CB-CG2 4.4Å; V98-T102 HydrophobicContact CG2-CG2 4.31Å; T102-G104 PolarHBondContact O-N 3.17Å; T102-I105 HydrophobicContact CG2-CD1 4.21Å; T102-I105 WeakPolarHBondContact O-CB 3.36Å; T102-I105 WeakPolarHBondContact O-CG1 3.48Å; T102-I105 PolarHBondContact O-N 3.47Å; T102-I105 VanDerWaalsContact O-N 3.14Å
103	S	88.1	Confident	90.5	Very high	97 Å²	97	44.7 Å²	44.7	68%	0.678	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124.2	179.5	-53.2	0	0	0	0	111.3	R82	R82-S103 VanDerWaalsContact CZ-O 3.27Å; R82-S103 PolarHBondContact NH1-O 3.15Å; R82-S103 PolarHBondContact NH2-O 2.94Å
104	G	86.6	Confident	90.6	Very high	62 Å²	62	40.2 Å²	40.2	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	4.5	179.6	0	0	0	0	0	115.5	T102 D106	T102-G104 PolarHBondContact O-N 3.17Å; G104-D106 PolarHBondContact O-N 2.93Å
105	I	89.6	Confident	90.4	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.118	24%	0.239	C	C	.	.			trans	-75.2	122.8	172.9	-64.6	-177.6	0	0	0	109.7	V53 V58 L74 L76 V98 T102 T110	V53-I105 HydrophobicContact CG2-CB 4.43Å; V53-I105 HydrophobicContact CG2-CG2 3.84Å; V58-I105 HydrophobicContact CG2-CD1 3.74Å; L74-I105 HydrophobicContact CD2-CD1 4.15Å; L76-I105 HydrophobicContact CD1-CG1 4.12Å; L76-I105 HydrophobicContact CD2-CG1 4.34Å; L76-I105 HydrophobicContact CG-CG1 4.19Å; V98-I105 HydrophobicContact CG2-CD1 4.14Å; T102-I105 HydrophobicContact CG2-CD1 4.21Å; T102-I105 WeakPolarHBondContact O-CB 3.36Å; T102-I105 WeakPolarHBondContact O-CG1 3.48Å; T102-I105 PolarHBondContact O-N 3.47Å; T102-I105 VanDerWaalsContact O-N 3.14Å; I105-T110 HydrophobicContact CG2-CG2 4.21Å
106	D	90	Very high	90.2	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.332	24%	0.24	S	C	.	.			trans	-100.4	135.1	173	177	32.8	0	0	0	110.6	P77 G104 K108 K109 T110	P77-D106 HydrophobicContact CG-CB 3.8Å; G104-D106 PolarHBondContact O-N 2.93Å; D106-K108 VanDerWaalsContact C-N 3.25Å; D106-K108 PolarHBondContact O-N 3.14Å; D106-K109 HydrophobicContact CB-CB 4.45Å; D106-K109 VanDerWaalsContact OD2-CB 3.28Å; D106-K109 WeakPolarHBondContact OD2-CB 3.34Å; D106-K109 WeakPolarHBondContact OD2-CD 3.32Å; D106-K109 VanDerWaalsContact OD2-CG 3.25Å; D106-K109 WeakPolarHBondContact OD2-CG 3.39Å; D106-K109 PolarHBondContact OD2-N 3.03Å; D106-K109 VanDerWaalsContact OD2-N 3.09Å; D106-T110 PolarHBondContact N-OG1 2.97Å; D106-T110 VanDerWaalsContact N-OG1 3.12Å; D106-T110 WeakPolarHBondContact O-CB 3.27Å; D106-T110 PolarHBondContact O-N 3.47Å; D106-T110 PolarHBondContact O-OG1 3.33Å
107	A	87.3	Confident	90.1	Very high	46 Å²	46	42.8 Å²	42.8	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.3	-178.5	0	0	0	0	0	112.8	V50	V50-A107 HydrophobicContact CG1-CB 4.49Å
108	K	86.8	Confident	90.2	Very high	178 Å²	178	45.1 Å²	45.1	77%	0.774	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-36	-172.2	-163.2	170	-174.5	175.3	0	114	D106	D106-K108 VanDerWaalsContact C-N 3.25Å; D106-K108 PolarHBondContact O-N 3.14Å
109	K	90.6	Very high	90.2	Very high	148 Å²	148	46.6 Å²	46.6	64%	0.643	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-19.6	-173.5	-66.6	173.2	-174	176	0	114.1	P77 D106	P77-K109 HydrophobicContact CB-CB 3.95Å; P77-K109 HydrophobicContact CB-CD 4.24Å; P77-K109 HydrophobicContact CG-CB 3.71Å; D106-K109 HydrophobicContact CB-CB 4.45Å; D106-K109 VanDerWaalsContact OD2-CB 3.28Å; D106-K109 WeakPolarHBondContact OD2-CB 3.34Å; D106-K109 WeakPolarHBondContact OD2-CD 3.32Å; D106-K109 VanDerWaalsContact OD2-CG 3.25Å; D106-K109 WeakPolarHBondContact OD2-CG 3.39Å; D106-K109 PolarHBondContact OD2-N 3.03Å; D106-K109 VanDerWaalsContact OD2-N 3.09Å
110	T	93.1	Very high	90.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.289	C	S	.	.			trans	-70.4	134.9	179.2	-52.7	0	0	0	0	110.1	T75 I105 D106	T75-T110 WeakPolarHBondContact O-CG2 3.34Å; I105-T110 HydrophobicContact CG2-CG2 4.21Å; D106-T110 PolarHBondContact N-OG1 2.97Å; D106-T110 VanDerWaalsContact N-OG1 3.12Å; D106-T110 WeakPolarHBondContact O-CB 3.27Å; D106-T110 PolarHBondContact O-N 3.47Å; D106-T110 PolarHBondContact O-OG1 3.33Å
111	S	94	Very high	90.7	Very high	22 Å²	22	49.8 Å²	49.8	15%	0.154	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.1	173.4	59.5	0	0	0	0	110.8	Y47 T75	Y47-S111 WeakPolarHBondContact O-CA 3.36Å; T75-S111 PolarHBondContact N-O 3.26Å; T75-S111 PolarHBondContact O-N 2.99Å; T75-S111 VanDerWaalsContact O-N 3.11Å
112	C	93.6	Very high	91.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.8	179.7	-57.5	0	0	0	0	109.6	T46 Y47 L60 V72 H73 F114	T46-C112 CarbonylContact C-O 3.53Å; T46-C112 WeakPolarHBondContact CA-O 3.5Å; Y47-C112 PolarHBondContact N-O 3.17Å; Y47-C112 PolarHBondContact O-N 3.3Å; L60-C112 HydrophobicContact CD2-CB 3.69Å; V72-C112 HydrophobicContact CG1-CB 3.87Å; H73-C112 CarbonylContact O-C 3.56Å; H73-C112 WeakPolarHBondContact O-CA 3.34Å; C112-F114 HydrophobicContact CB-CE2 4.45Å
113	E	94.8	Very high	91.3	Very high	59 Å²	59	49.5 Å²	49.5	28%	0.276	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.3	176.8	-177.3	-171.6	144.7	0	0	109.7	R44 V72 H73	R44-E113 HydrophobicContact CB-CG 3.82Å; R44-E113 WeakPolarHBondContact CD-OE1 3.01Å; R44-E113 IonicContact CZ-OE1 3.71Å; R44-E113 IonicContact NE-OE1 2.81Å; R44-E113 IonicContact NH1-OE1 3.82Å; R44-E113 PolarHBondContact NH1-OE1 3.08Å; V72-E113 CarbonylContact C-O 3.25Å; V72-E113 WeakPolarHBondContact CA-O 3.4Å; V72-E113 WeakPolarHBondContact CG1-O 3.31Å; H73-E113 HydrophobicContact CB-CB 4.48Å; H73-E113 PolarHBondContact N-O 3.35Å; H73-E113 PolarHBondContact O-N 3.31Å
114	F	93.9	Very high	91.6	Very high	12 Å²	12	45 Å²	45	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.5	178.7	-79.6	-109.6	0	0	0	109.6	R44 L45 Y47 L60 V63 E70 V72 V86 A94 V96 C112	R44-F114 WeakPolarHBondContact CB-O 3.47Å; R44-F114 WeakPolarHBondContact CG-O 3.37Å; L45-F114 PolarHBondContact O-N 3.41Å; L45-F114 VanDerWaalsContact O-N 3.11Å; Y47-F114 AromaticContact CD2-CD2 3.48Å; Y47-F114 HydrophobicContact CD2-CD2 3.48Å; Y47-F114 VanDerWaalsContact CD2-CD2 3.48Å; Y47-F114 AromaticContact CD2-CE2 3.68Å; Y47-F114 HydrophobicContact CD2-CE2 3.68Å; Y47-F114 HydrophobicContact CD2-CG 4.45Å; Y47-F114 AromaticContact CE2-CD2 3.68Å; Y47-F114 HydrophobicContact CE2-CD2 3.68Å; Y47-F114 HydrophobicContact CE2-CE2 4.12Å; Y47-F114 HydrophobicContact CE2-CG 4.22Å; L60-F114 HydrophobicContact CD1-CZ 4.35Å; L60-F114 HydrophobicContact CD2-CE2 4.21Å; V63-F114 HydrophobicContact CG1-CD1 4.37Å; V63-F114 HydrophobicContact CG1-CE1 3.96Å; V63-F114 HydrophobicContact CG1-CE2 4.24Å; V63-F114 HydrophobicContact CG1-CZ 3.89Å; V63-F114 HydrophobicContact CG2-CE2 4.32Å; V63-F114 HydrophobicContact CG2-CZ 4.03Å; E70-F114 WeakPolarHBondContact OE1-CB 3.29Å; V72-F114 HydrophobicContact CG1-CD2 4.2Å; V72-F114 HydrophobicContact CG1-CE2 4.13Å; V72-F114 HydrophobicContact CG1-CZ 4.47Å; V72-F114 HydrophobicContact CG2-CD1 3.77Å; V72-F114 HydrophobicContact CG2-CD2 4.4Å; V72-F114 HydrophobicContact CG2-CE1 3.66Å; V72-F114 HydrophobicContact CG2-CE2 4.32Å; V72-F114 HydrophobicContact CG2-CG 4.15Å; V72-F114 HydrophobicContact CG2-CZ 3.96Å; V86-F114 HydrophobicContact CG2-CE1 3.88Å; A94-F114 HydrophobicContact CB-CE1 4.47Å; A94-F114 HydrophobicContact CB-CZ 4.36Å; V96-F114 HydrophobicContact CG2-CZ 4.42Å; C112-F114 HydrophobicContact CB-CE2 4.45Å
115	T	91	Very high	91.9	Very high	22 Å²	22	46 Å²	46	14%	0.135	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-22.3	-173.6	59.5	0	0	0	0	113.6	I71 H73 D117	I71-T115 HydrophobicContact CB-CG2 4.46Å; I71-T115 HydrophobicContact CG2-CG2 4.01Å; I71-T115 WeakPolarHBondContact O-CB 3.42Å; I71-T115 WeakPolarHBondContact O-CG2 3.43Å; I71-T115 PolarHBondContact O-N 3.07Å; I71-T115 VanDerWaalsContact O-N 3.08Å; I71-T115 PolarHBondContact O-OG1 2.81Å; H73-T115 VanDerWaalsContact CD2-CG2 3.44Å; H73-T115 WeakPolarHBondContact CD2-CG2 3.38Å; H73-T115 WeakPolarHBondContact NE2-CG2 3.26Å; T115-D117 VanDerWaalsContact C-N 3.31Å; T115-D117 PolarHBondContact OG1-O 2.92Å
116	G	89.2	Confident	92	Very high	21 Å²	21	50.5 Å²	50.5	22%	0.216	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-1.6	-177.2	0	0	0	0	0	114.7	R67 E70	R67-G116 PolarHBondContact NH1-O 3.27Å; E70-G116 WeakPolarHBondContact OE1-CA 3.39Å; E70-G116 PolarHBondContact OE1-N 3.36Å
117	D	90.4	Very high	92.1	Very high	40 Å²	40	47.7 Å²	47.7	21%	0.214	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165	-176.2	-154.2	7	0	0	0	112	L40 E70 I71 T115 R120	L40-D117 HydrophobicContact CD1-CB 4.02Å; E70-D117 WeakPolarHBondContact CA-O 3.45Å; E70-D117 WeakPolarHBondContact CG-O 3.47Å; I71-D117 PolarHBondContact N-O 3.19Å; T115-D117 VanDerWaalsContact C-N 3.31Å; T115-D117 PolarHBondContact OG1-O 2.92Å; D117-R120 IonicContact OD1-NE 3.91Å; D117-R120 IonicContact OD1-NH2 2.78Å; D117-R120 IonicContact OD2-CZ 2.66Å; D117-R120 IonicContact OD2-NE 2.76Å; D117-R120 PolarHBondContact OD2-NE 3.23Å; D117-R120 IonicContact OD2-NH2 2.87Å; D117-R120 PolarHBondContact OD2-NH2 3.29Å
118	I	93.1	Very high	92.4	Very high	56 Å²	56	46.7 Å²	46.7	29%	0.287	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	171.2	176.4	61.4	179.3	0	0	0	111.4	A69 R120 D152	A69-I118 HydrophobicContact CB-CG2 4.49Å; I118-R120 PolarHBondContact O-N 3.12Å; I118-D152 HydrophobicContact CD1-CB 4.06Å; I118-D152 VanDerWaalsContact CD1-CG 3.43Å; I118-D152 VanDerWaalsContact CD1-OD2 3.25Å; I118-D152 WeakPolarHBondContact CD1-OD2 3.41Å
119	L	92.3	Very high	92.6	Very high	31 Å²	31	39.5 Å²	39.5	16%	0.162	21%	0.206	C	C	.	.			trans	-68.6	106.5	178.5	-174.7	48.7	0	0	0	111.1	I71 F99 I153 I273	I71-L119 HydrophobicContact CD1-CB 3.78Å; I71-L119 HydrophobicContact CD1-CD1 3.9Å; I71-L119 HydrophobicContact CD1-CD2 4.09Å; I71-L119 HydrophobicContact CD1-CG 4.12Å; I71-L119 HydrophobicContact CG1-CB 3.63Å; I71-L119 HydrophobicContact CG1-CD1 3.92Å; I71-L119 HydrophobicContact CG1-CG 4.26Å; F99-L119 HydrophobicContact CE2-CD2 4.33Å; F99-L119 HydrophobicContact CZ-CD2 4.21Å; L119-I153 HydrophobicContact CB-CD1 4.12Å; L119-I153 HydrophobicContact CB-CG1 4.1Å; L119-I153 HydrophobicContact CD2-CD1 3.43Å; L119-I153 VanDerWaalsContact CD2-CD1 3.43Å; L119-I153 HydrophobicContact CD2-CG1 4.23Å; L119-I153 HydrophobicContact CG-CD1 3.84Å; L119-I153 HydrophobicContact CG-CG1 4.08Å; L119-I153 HydrophobicContact CG-CG2 4.16Å; L119-I153 PolarHBondContact O-N 2.72Å; L119-I273 HydrophobicContact CD2-CG2 4.13Å
120	R	92.3	Very high	92.7	Very high	112 Å²	112	34.4 Å²	34.4	42%	0.423	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.3	171.4	-60.9	177.9	-174.9	-102.5	-4.7	110.3	D117 I118 F150 L151	D117-R120 IonicContact OD1-NE 3.91Å; D117-R120 IonicContact OD1-NH2 2.78Å; D117-R120 IonicContact OD2-CZ 2.66Å; D117-R120 IonicContact OD2-NE 2.76Å; D117-R120 PolarHBondContact OD2-NE 3.23Å; D117-R120 IonicContact OD2-NH2 2.87Å; D117-R120 PolarHBondContact OD2-NH2 3.29Å; I118-R120 PolarHBondContact O-N 3.12Å; R120-F150 HydrophobicContact CB-CB 4.08Å; R120-F150 PolarHBondContact NH1-O 3.26Å; R120-L151 CarbonylContact C-O 3.43Å; R120-L151 WeakPolarHBondContact CA-O 3.39Å
121	T	93.3	Very high	92.8	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.2	173.3	-171.7	0	0	0	0	110.1	V123 L151 I153 L277 T280	T121-V123 HydrophobicContact CG2-CG1 3.9Å; T121-V123 PolarHBondContact O-N 2.72Å; T121-L151 PolarHBondContact N-O 3.39Å; T121-L151 PolarHBondContact O-N 3.11Å; T121-L151 VanDerWaalsContact O-N 3.14Å; T121-I153 HydrophobicContact CG2-CG2 3.97Å; T121-L277 HydrophobicContact CG2-CD2 4.25Å; T121-L277 WeakPolarHBondContact OG1-CD2 3.41Å; T121-T280 HydrophobicContact CG2-CG2 3.59Å
122	P	94.2	Very high	92.8	Very high	41 Å²	41	33.5 Å²	33.5	27%	0.266	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.9	166.1	29.1	-32.8	0	0	0	108.4	A147 F150	P122-A147 HydrophobicContact CB-CB 3.52Å; P122-F150 HydrophobicContact CB-CD1 4.23Å; P122-F150 HydrophobicContact CB-CE1 3.83Å
123	V	94.1	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.5	174	-64.8	0	0	0	0	110.2	T121 E148 D149 L151 T280 F284	T121-V123 HydrophobicContact CG2-CG1 3.9Å; T121-V123 PolarHBondContact O-N 2.72Å; V123-E148 PolarHBondContact O-N 2.9Å; V123-D149 HydrophobicContact CG2-CB 4.21Å; V123-D149 WeakPolarHBondContact CG2-O 3.14Å; V123-D149 PolarHBondContact N-O 2.95Å; V123-D149 PolarHBondContact O-N 3.41Å; V123-L151 HydrophobicContact CG1-CD1 4.26Å; V123-L151 HydrophobicContact CG1-CG 4.5Å; V123-L151 HydrophobicContact CG2-CD1 3.78Å; V123-L151 HydrophobicContact CG2-CG 3.77Å; V123-T280 HydrophobicContact CG1-CG2 4.45Å; V123-F284 HydrophobicContact CB-CB 4.19Å; V123-F284 HydrophobicContact CB-CD1 4.11Å; V123-F284 HydrophobicContact CB-CD2 4.02Å; V123-F284 HydrophobicContact CB-CE2 4.45Å; V123-F284 HydrophobicContact CB-CG 3.83Å; V123-F284 HydrophobicContact CG1-CB 4.32Å; V123-F284 HydrophobicContact CG1-CG 4.49Å; V123-F284 HydrophobicContact CG2-CB 4.29Å; V123-F284 HydrophobicContact CG2-CD1 4.39Å; V123-F284 HydrophobicContact CG2-CD2 3.42Å; V123-F284 VanDerWaalsContact CG2-CD2 3.42Å; V123-F284 HydrophobicContact CG2-CE2 3.75Å; V123-F284 HydrophobicContact CG2-CG 3.77Å; V123-F284 HydrophobicContact CG2-CZ 4.38Å
124	S	94.3	Very high	92.5	Very high	2 Å²	2	32 Å²	32	1%	0.014	17%	0.17	C	C	.	.			trans	-158.5	156.2	173.4	172.3	0	0	0	0	109.3	D126 M127 L146 E148	S124-D126 PolarHBondContact O-N 3.29Å; S124-D126 PolarHBondContact OG-N 3.36Å; S124-M127 WeakPolarHBondContact O-CB 3.29Å; S124-M127 WeakPolarHBondContact O-CG 3.24Å; S124-M127 PolarHBondContact O-N 3.32Å; S124-L146 WeakPolarHBondContact CB-O 3.06Å; S124-E148 VanDerWaalsContact CA-OE1 3.29Å; S124-E148 WeakPolarHBondContact CA-OE1 3.5Å; S124-E148 WeakPolarHBondContact CB-OE1 3.38Å; S124-E148 PolarHBondContact OG-OE1 3.09Å
125	E	92.4	Very high	92.3	Very high	85 Å²	85	32.7 Å²	32.7	40%	0.397	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-63.5	-26.9	172.9	-166.9	170.6	-178.9	0	0	112.3	M127 L128 E148 K291	E125-M127 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 2.9Å; E125-E148 PolarHBondContact N-OE1 3.2Å; E125-K291 WeakPolarHBondContact OE1-CE 3.46Å; E125-K291 IonicContact OE1-NZ 2.77Å; E125-K291 PolarHBondContact OE1-NZ 2.96Å
126	D	91.9	Very high	92.2	Very high	116 Å²	116	32.8 Å²	32.8	62%	0.62	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-66.2	-1.4	177.3	-68.5	-14.1	0	0	0	114	S124 L128 R130	S124-D126 PolarHBondContact O-N 3.29Å; S124-D126 PolarHBondContact OG-N 3.36Å; D126-L128 VanDerWaalsContact C-N 3.32Å; D126-R130 VanDerWaalsContact O-CG 3.22Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å
127	M	92.6	Very high	92.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.02	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-77	-18.5	173.7	-65.8	-177	68.8	0	0	112.9	S124 E125 R130 F132 V145 F260 T281	S124-M127 WeakPolarHBondContact O-CB 3.29Å; S124-M127 WeakPolarHBondContact O-CG 3.24Å; S124-M127 PolarHBondContact O-N 3.32Å; E125-M127 PolarHBondContact O-N 3.49Å; M127-R130 WeakPolarHBondContact O-CB 3.38Å; M127-R130 PolarHBondContact O-N 2.81Å; M127-F132 HydrophobicContact CB-CE2 4.04Å; M127-F132 HydrophobicContact CB-CZ 4.2Å; M127-F132 HydrophobicContact CE-CD2 4.15Å; M127-F132 HydrophobicContact CE-CE2 3.64Å; M127-F132 HydrophobicContact CE-CZ 3.91Å; M127-F132 HydrophobicContact CG-CE2 4.24Å; M127-F132 HydrophobicContact CG-CZ 4.01Å; M127-V145 HydrophobicContact CG-CG1 3.81Å; M127-V145 HydrophobicContact CG-CG2 4.06Å; M127-V145 HydrophobicContact SD-CG1 4.21Å; M127-F260 HydrophobicContact CE-CE1 4.3Å; M127-F260 HydrophobicContact CE-CZ 3.74Å; M127-T281 HydrophobicContact CE-CG2 4.01Å; M127-T281 HydrophobicContact SD-CG2 4.08Å
128	L	92.1	Very high	92.5	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.131	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	136.2	171.5	-65.2	173.6	0	0	0	109.8	E125 D126 R130 A228 D255 C258 L285 K291	E125-L128 PolarHBondContact O-N 2.9Å; D126-L128 VanDerWaalsContact C-N 3.32Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.16Å; L128-A228 HydrophobicContact CD2-CB 4.06Å; L128-D255 CarbonylContact C-O 3.49Å; L128-C258 HydrophobicContact CD2-CB 4.42Å; L128-L285 HydrophobicContact CD1-CD2 4.12Å; L128-L285 HydrophobicContact CD2-CD1 3.81Å; L128-L285 HydrophobicContact CG-CD1 4.36Å; L128-L285 HydrophobicContact CG-CD2 4.27Å; L128-K291 HydrophobicContact CD1-CD 4.24Å
129	G	90.9	Very high	92.4	Very high	26 Å²	26	38 Å²	38	27%	0.268	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-1.2	-172.7	0	0	0	0	0	115.2	M254 D255 V257	G129-M254 WeakPolarHBondContact CA-O 3.35Å; G129-M254 PolarHBondContact N-O 2.98Å; G129-D255 PolarHBondContact N-O 3.08Å; G129-V257 WeakPolarHBondContact CA-O 3.05Å; G129-V257 PolarHBondContact N-O 3.16Å
130	R	93.3	Very high	92.3	Very high	41 Å²	41	38.8 Å²	38.8	16%	0.155	21%	0.206	C	C	.	.			trans	-104.6	154.7	-177.3	-59.2	-68.3	-52.9	-92.6	-3.9	112.2	D126 M127 L128 F132 D140 P143 L259	D126-R130 VanDerWaalsContact O-CG 3.22Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; M127-R130 WeakPolarHBondContact O-CB 3.38Å; M127-R130 PolarHBondContact O-N 2.81Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.16Å; R130-F132 HydrophobicContact CB-CD2 4.45Å; R130-F132 HydrophobicContact CB-CE1 4.36Å; R130-F132 HydrophobicContact CB-CE2 3.55Å; R130-F132 HydrophobicContact CB-CZ 3.49Å; R130-F132 VanDerWaalsContact CB-CZ 3.49Å; R130-F132 HydrophobicContact CG-CZ 4.19Å; R130-D140 WeakPolarHBondContact CA-OD2 3.46Å; R130-D140 WeakPolarHBondContact CD-OD2 3.44Å; R130-D140 IonicContact CZ-OD1 2.92Å; R130-D140 IonicContact CZ-OD2 2.72Å; R130-D140 IonicContact NE-OD1 2.74Å; R130-D140 PolarHBondContact NE-OD1 2.9Å; R130-D140 IonicContact NE-OD2 3.73Å; R130-D140 PolarHBondContact NE-OD2 3.34Å; R130-D140 IonicContact NH2-OD1 3.47Å; R130-D140 PolarHBondContact NH2-OD1 2.81Å; R130-D140 IonicContact NH2-OD2 3.55Å; R130-P143 PolarHBondContact NH1-O 3.4Å; R130-P143 VanDerWaalsContact NH1-O 3.12Å; R130-P143 PolarHBondContact NH2-O 2.97Å; R130-L259 PolarHBondContact O-N 3.16Å; R130-L259 VanDerWaalsContact O-N 3.13Å
131	V	94.3	Very high	92.2	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.9	175.7	-165.8	0	0	0	0	110.3	I139 D140 M254 L259 L261	V131-I139 HydrophobicContact CB-CG1 3.99Å; V131-I139 HydrophobicContact CG1-CD1 3.63Å; V131-I139 HydrophobicContact CG1-CG1 3.59Å; V131-I139 WeakPolarHBondContact O-CG1 3.19Å; V131-I139 PolarHBondContact O-N 2.93Å; V131-D140 HydrophobicContact CB-CB 4.27Å; V131-D140 PolarHBondContact N-OD2 2.74Å; V131-M254 HydrophobicContact CG2-CE 3.41Å; V131-M254 VanDerWaalsContact CG2-CE 3.41Å; V131-L259 HydrophobicContact CB-CB 4.35Å; V131-L259 HydrophobicContact CG1-CB 3.87Å; V131-L259 HydrophobicContact CG2-CB 4.24Å; V131-L259 HydrophobicContact CG2-CD1 3.98Å; V131-L261 HydrophobicContact CG1-CD1 3.74Å; V131-L261 HydrophobicContact CG1-CG 4.15Å
132	F	95	Very high	92	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157	179.7	-55.3	-77.2	0	0	0	111.2	M127 R130 K137 P138 V145 L259 F260 L261	M127-F132 HydrophobicContact CB-CE2 4.04Å; M127-F132 HydrophobicContact CB-CZ 4.2Å; M127-F132 HydrophobicContact CE-CD2 4.15Å; M127-F132 HydrophobicContact CE-CE2 3.64Å; M127-F132 HydrophobicContact CE-CZ 3.91Å; M127-F132 HydrophobicContact CG-CE2 4.24Å; M127-F132 HydrophobicContact CG-CZ 4.01Å; R130-F132 HydrophobicContact CB-CD2 4.45Å; R130-F132 HydrophobicContact CB-CE1 4.36Å; R130-F132 HydrophobicContact CB-CE2 3.55Å; R130-F132 HydrophobicContact CB-CZ 3.49Å; R130-F132 VanDerWaalsContact CB-CZ 3.49Å; R130-F132 HydrophobicContact CG-CZ 4.19Å; F132-K137 CarbonylContact C-O 3.43Å; F132-K137 WeakPolarHBondContact CA-O 3.4Å; F132-P138 HydrophobicContact CD1-CB 4.23Å; F132-P138 HydrophobicContact CE1-CB 4.25Å; F132-V145 HydrophobicContact CE1-CG2 3.38Å; F132-V145 HydrophobicContact CZ-CG2 3.56Å; F132-L259 PolarHBondContact N-O 2.82Å; F132-F260 HydrophobicContact CB-CD1 3.71Å; F132-F260 HydrophobicContact CB-CE1 3.88Å; F132-F260 HydrophobicContact CD2-CD1 4.36Å; F132-F260 AromaticContact CD2-CE1 3.92Å; F132-F260 HydrophobicContact CD2-CE1 3.92Å; F132-F260 HydrophobicContact CD2-CZ 4.16Å; F132-F260 HydrophobicContact CG-CD1 4.38Å; F132-F260 HydrophobicContact CG-CE1 4.08Å; F132-F260 WeakPolarHBondContact O-CA 3.43Å; F132-L261 PolarHBondContact O-N 3.29Å
133	N	93.3	Very high	92	Very high	28 Å²	28	49 Å²	49	15%	0.15	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	178.7	167.1	77.2	-10.4	0	0	0	111.9	S135 G136 K137 I139 L261	N133-S135 PolarHBondContact O-N 3.09Å; N133-S135 VanDerWaalsContact O-N 3.08Å; N133-S135 WeakPolarHBondContact OD1-CA 3.42Å; N133-S135 PolarHBondContact OD1-N 3.48Å; N133-G136 PolarHBondContact O-N 3.25Å; N133-G136 PolarHBondContact OD1-N 2.81Å; N133-G136 VanDerWaalsContact OD1-N 3.11Å; N133-K137 PolarHBondContact N-O 2.98Å; N133-K137 WeakPolarHBondContact OD1-CB 3.31Å; N133-K137 PolarHBondContact OD1-N 3.28Å; N133-K137 PolarHBondContact OD1-O 2.95Å; N133-I139 HydrophobicContact CB-CG2 3.79Å; N133-L261 CarbonylContact C-O 3.55Å; N133-L261 VanDerWaalsContact CA-O 3.24Å; N133-L261 WeakPolarHBondContact CA-O 3.23Å
134	G	89.3	Confident	91.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.2	176.7	0	0	0	0	0	115.9	L261 T274 L277	G134-L261 PolarHBondContact N-O 3.4Å; G134-T274 WeakPolarHBondContact CA-OG1 3.32Å; G134-T274 PolarHBondContact O-OG1 3.42Å; G134-L277 WeakPolarHBondContact O-CD1 3.34Å
135	S	88.8	Confident	91.8	Very high	27 Å²	27	55.7 Å²	55.7	19%	0.189	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.4	175.1	-76.6	0	0	0	0	113.6	N133 K137 E270	N133-S135 PolarHBondContact O-N 3.09Å; N133-S135 VanDerWaalsContact O-N 3.08Å; N133-S135 WeakPolarHBondContact OD1-CA 3.42Å; N133-S135 PolarHBondContact OD1-N 3.48Å; S135-K137 VanDerWaalsContact C-N 3.33Å; S135-K137 PolarHBondContact O-N 3.11Å; S135-E270 WeakPolarHBondContact OG-CG 3.35Å; S135-E270 PolarHBondContact OG-OE1 3.18Å
136	G	89.1	Confident	91.8	Very high	23 Å²	23	58.6 Å²	58.6	24%	0.237	32%	0.318	C	S	.	.	S	Bend	trans	76.9	13.4	-179.1	0	0	0	0	0	115	N133	N133-G136 PolarHBondContact O-N 3.25Å; N133-G136 PolarHBondContact OD1-N 2.81Å; N133-G136 VanDerWaalsContact OD1-N 3.11Å
137	K	91.6	Very high	91.8	Very high	103 Å²	103	54.6 Å²	54.6	45%	0.448	30%	0.3	S	S	.	.			trans	-87.1	137.1	174.4	-62.2	172.1	-175	162.1	0	109.6	E100 F132 N133 S135	E100-K137 IonicContact OE1-NZ 3.71Å; F132-K137 CarbonylContact C-O 3.43Å; F132-K137 WeakPolarHBondContact CA-O 3.4Å; N133-K137 PolarHBondContact N-O 2.98Å; N133-K137 WeakPolarHBondContact OD1-CB 3.31Å; N133-K137 PolarHBondContact OD1-N 3.28Å; N133-K137 PolarHBondContact OD1-O 2.95Å; S135-K137 VanDerWaalsContact C-N 3.33Å; S135-K137 PolarHBondContact O-N 3.11Å
138	P	93.8	Very high	91.8	Very high	35 Å²	35	59.9 Å²	59.9	23%	0.227	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-68.2	135.5	-179.1	28.1	-34.9	0	0	0	111.7	F132	F132-P138 HydrophobicContact CD1-CB 4.23Å; F132-P138 HydrophobicContact CE1-CB 4.25Å
139	I	92.4	Very high	91.7	Very high	88 Å²	88	62.2 Å²	62.2	45%	0.451	34%	0.338	S	S	.	.			trans	-113.6	-5.8	177.4	60.2	171.9	0	0	0	113.3	V131 N133 R141 L261	V131-I139 HydrophobicContact CB-CG1 3.99Å; V131-I139 HydrophobicContact CG1-CD1 3.63Å; V131-I139 HydrophobicContact CG1-CG1 3.59Å; V131-I139 WeakPolarHBondContact O-CG1 3.19Å; V131-I139 PolarHBondContact O-N 2.93Å; N133-I139 HydrophobicContact CB-CG2 3.79Å; I139-R141 PolarHBondContact O-N 2.86Å; I139-L261 HydrophobicContact CD1-CB 4.32Å; I139-L261 HydrophobicContact CD1-CD1 4.3Å
140	D	89.3	Confident	91.8	Very high	49 Å²	49	66.2 Å²	66.2	26%	0.262	35%	0.348	S	S	.	.	S	Bend	trans	-79.3	6.4	175.4	54.3	17.4	0	0	0	114.3	R130 V131 G142	R130-D140 WeakPolarHBondContact CA-OD2 3.46Å; R130-D140 WeakPolarHBondContact CD-OD2 3.44Å; R130-D140 IonicContact CZ-OD1 2.92Å; R130-D140 IonicContact CZ-OD2 2.72Å; R130-D140 IonicContact NE-OD1 2.74Å; R130-D140 PolarHBondContact NE-OD1 2.9Å; R130-D140 IonicContact NE-OD2 3.73Å; R130-D140 PolarHBondContact NE-OD2 3.34Å; R130-D140 IonicContact NH2-OD1 3.47Å; R130-D140 PolarHBondContact NH2-OD1 2.81Å; R130-D140 IonicContact NH2-OD2 3.55Å; V131-D140 HydrophobicContact CB-CB 4.27Å; V131-D140 PolarHBondContact N-OD2 2.74Å; D140-G142 PolarHBondContact O-N 3.02Å; D140-G142 PolarHBondContact OD1-N 3.41Å
141	R	90.1	Very high	91.9	Very high	246 Å²	246	66.1 Å²	66.1	93%	0.928	35%	0.35	S	S	*	.	S	Bend	trans	63.8	12.5	-174.1	-49.2	176.6	-179.4	168.6	0.5	114.1	I139	I139-R141 PolarHBondContact O-N 2.86Å
142	G	89.9	Confident	91.9	Very high	28 Å²	28	68.3 Å²	68.3	29%	0.289	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-76.1	171.4	169.1	0	0	0	0	0	112.4	D140	D140-G142 PolarHBondContact O-N 3.02Å; D140-G142 PolarHBondContact OD1-N 3.41Å
143	P	93.6	Very high	91.9	Very high	99 Å²	99	68.4 Å²	68.4	64%	0.643	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.7	166	175.4	30.3	-35.2	0	0	0	111.4	R130	R130-P143 PolarHBondContact NH1-O 3.4Å; R130-P143 VanDerWaalsContact NH1-O 3.12Å; R130-P143 PolarHBondContact NH2-O 2.97Å
144	V	92.3	Very high	91.8	Very high	119 Å²	119	71.8 Å²	71.8	72%	0.721	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-59.2	149.6	168	-64	0	0	0	0	110.4	L146	V144-L146 PolarHBondContact O-N 3.49Å
145	V	91.7	Very high	91.9	Very high	25 Å²	25	72.6 Å²	72.6	15%	0.152	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.3	127.5	178.6	-176.7	0	0	0	0	109.2	M127 F132 A147	M127-V145 HydrophobicContact CG-CG1 3.81Å; M127-V145 HydrophobicContact CG-CG2 4.06Å; M127-V145 HydrophobicContact SD-CG1 4.21Å; F132-V145 HydrophobicContact CE1-CG2 3.38Å; F132-V145 HydrophobicContact CZ-CG2 3.56Å; V145-A147 PolarHBondContact O-N 3.46Å
146	L	92.6	Very high	92.1	Very high	146 Å²	146	79.2 Å²	79.2	76%	0.764	42%	0.415	S	S	*	.			trans	-81.7	107.8	169	-174.2	66.5	0	0	0	107.5	S124 V144	S124-L146 WeakPolarHBondContact CB-O 3.06Å; V144-L146 PolarHBondContact O-N 3.49Å
147	A	91.7	Very high	92.3	Very high	31 Å²	31	84.4 Å²	84.4	26%	0.256	45%	0.445	S	S	.	.			trans	-71.7	131.6	-173	0	0	0	0	0	111.7	P122 V145 F150	P122-A147 HydrophobicContact CB-CB 3.52Å; V145-A147 PolarHBondContact O-N 3.46Å; A147-F150 HydrophobicContact CB-CD2 4.35Å; A147-F150 HydrophobicContact CB-CE1 4.07Å; A147-F150 HydrophobicContact CB-CE2 3.83Å; A147-F150 HydrophobicContact CB-CZ 3.67Å
148	E	92.4	Very high	92.3	Very high	115 Å²	115	81 Å²	81	54%	0.537	43%	0.431	S	S	.	.	S	Bend	trans	-80.1	-39.9	163.6	-70.3	166.3	-131.8	0	0	110.1	V123 S124 E125 F284	V123-E148 PolarHBondContact O-N 2.9Å; S124-E148 VanDerWaalsContact CA-OE1 3.29Å; S124-E148 WeakPolarHBondContact CA-OE1 3.5Å; S124-E148 WeakPolarHBondContact CB-OE1 3.38Å; S124-E148 PolarHBondContact OG-OE1 3.09Å; E125-E148 PolarHBondContact N-OE1 3.2Å; E148-F284 WeakPolarHBondContact OE2-CZ 3.48Å
149	D	91.5	Very high	92.3	Very high	74 Å²	74	83.6 Å²	83.6	40%	0.396	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.9	175	-161	6.4	0	0	0	111.4	V123 L151	V123-D149 HydrophobicContact CG2-CB 4.21Å; V123-D149 WeakPolarHBondContact CG2-O 3.14Å; V123-D149 PolarHBondContact N-O 2.95Å; V123-D149 PolarHBondContact O-N 3.41Å; D149-L151 WeakPolarHBondContact OD2-CD2 3.39Å
150	F	92.6	Very high	92.4	Very high	111 Å²	111	84.5 Å²	84.5	49%	0.487	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	98.5	175.7	-73.8	-81.5	0	0	0	110.4	R120 P122 A147	R120-F150 HydrophobicContact CB-CB 4.08Å; R120-F150 PolarHBondContact NH1-O 3.26Å; P122-F150 HydrophobicContact CB-CD1 4.23Å; P122-F150 HydrophobicContact CB-CE1 3.83Å; A147-F150 HydrophobicContact CB-CD2 4.35Å; A147-F150 HydrophobicContact CB-CE1 4.07Å; A147-F150 HydrophobicContact CB-CE2 3.83Å; A147-F150 HydrophobicContact CB-CZ 3.67Å
151	L	93.8	Very high	92.6	Very high	38 Å²	38	90.1 Å²	90.1	20%	0.199	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	143	-177.7	-61.2	-175.9	0	0	0	111.8	R120 T121 V123 D149 T280 F284	R120-L151 CarbonylContact C-O 3.43Å; R120-L151 WeakPolarHBondContact CA-O 3.39Å; T121-L151 PolarHBondContact N-O 3.39Å; T121-L151 PolarHBondContact O-N 3.11Å; T121-L151 VanDerWaalsContact O-N 3.14Å; V123-L151 HydrophobicContact CG1-CD1 4.26Å; V123-L151 HydrophobicContact CG1-CG 4.5Å; V123-L151 HydrophobicContact CG2-CD1 3.78Å; V123-L151 HydrophobicContact CG2-CG 3.77Å; D149-L151 WeakPolarHBondContact OD2-CD2 3.39Å; L151-T280 HydrophobicContact CB-CG2 3.59Å; L151-T280 HydrophobicContact CD1-CG2 4.19Å; L151-F284 HydrophobicContact CD1-CB 4.04Å; L151-F284 HydrophobicContact CD1-CD2 4.12Å
152	D	94.9	Very high	92.7	Very high	49 Å²	49	80.9 Å²	80.9	26%	0.262	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131.4	171.7	178.9	8.6	0	0	0	110.2	I118 M154 G155	I118-D152 HydrophobicContact CD1-CB 4.06Å; I118-D152 VanDerWaalsContact CD1-CG 3.43Å; I118-D152 VanDerWaalsContact CD1-OD2 3.25Å; I118-D152 WeakPolarHBondContact CD1-OD2 3.41Å; D152-M154 PolarHBondContact O-N 3.24Å; D152-M154 PolarHBondContact OD1-N 3.25Å; D152-G155 PolarHBondContact O-N 2.75Å; D152-G155 VanDerWaalsContact O-N 3.12Å
153	I	94.4	Very high	92.8	Very high	2 Å²	2	83.4 Å²	83.4	1%	0.01	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.5	-179.1	64.4	156	0	0	0	113.3	L119 T121 G155 I273 R276 L277 T280 R337	L119-I153 HydrophobicContact CB-CD1 4.12Å; L119-I153 HydrophobicContact CB-CG1 4.1Å; L119-I153 HydrophobicContact CD2-CD1 3.43Å; L119-I153 VanDerWaalsContact CD2-CD1 3.43Å; L119-I153 HydrophobicContact CD2-CG1 4.23Å; L119-I153 HydrophobicContact CG-CD1 3.84Å; L119-I153 HydrophobicContact CG-CG1 4.08Å; L119-I153 HydrophobicContact CG-CG2 4.16Å; L119-I153 PolarHBondContact O-N 2.72Å; T121-I153 HydrophobicContact CG2-CG2 3.97Å; I153-G155 PolarHBondContact O-N 3.4Å; I153-I273 HydrophobicContact CD1-CB 4.34Å; I153-I273 HydrophobicContact CD1-CG2 4.05Å; I153-R276 HydrophobicContact CB-CB 4.1Å; I153-R276 HydrophobicContact CD1-CB 4.18Å; I153-R276 WeakPolarHBondContact O-CB 3.38Å; I153-L277 HydrophobicContact CG2-CD2 3.66Å; I153-T280 WeakPolarHBondContact CA-OG1 3.34Å; I153-T280 PolarHBondContact O-OG1 3.46Å; I153-R337 PolarHBondContact O-NH1 3.31Å
154	M	92.6	Very high	92.8	Very high	99 Å²	99	82.1 Å²	82.1	49%	0.488	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.2	176.2	-66.7	-58.7	-141.2	0	0	112.2	D152 R276	D152-M154 PolarHBondContact O-N 3.24Å; D152-M154 PolarHBondContact OD1-N 3.25Å; M154-R276 PolarHBondContact SD-NE 3.37Å
155	G	91.3	Very high	92.8	Very high	18 Å²	18	82.1 Å²	82.1	19%	0.186	43%	0.427	C	S	.	.			trans	70.5	-176.3	-177.3	0	0	0	0	0	112.8	D152 I153	D152-G155 PolarHBondContact O-N 2.75Å; D152-G155 VanDerWaalsContact O-N 3.12Å; I153-G155 PolarHBondContact O-N 3.4Å
156	Q	92.5	Very high	92.7	Very high	166 Å²	166	81.6 Å²	81.6	78%	0.776	42%	0.424	S	S	*	.			trans	-119.1	137.5	173.3	-68	-174.1	4.7	0	0	110	I158	Q156-I158 PolarHBondContact O-N 3.27Å
157	P	92.6	Very high	92.3	Very high	132 Å²	132	79.6 Å²	79.6	86%	0.857	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-65.5	126.9	178.5	27.3	-33.6	0	0	0	110.2
158	I	91.8	Very high	92.1	Very high	32 Å²	32	80.2 Å²	80.2	16%	0.164	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-74.6	128.1	176.9	-56.3	174.1	0	0	0	109.2	Q156 P160 R163 Y287 V341	Q156-I158 PolarHBondContact O-N 3.27Å; I158-P160 WeakPolarHBondContact O-CD 3.05Å; I158-R163 HydrophobicContact CG2-CG 3.6Å; I158-Y287 HydrophobicContact CD1-CE2 4Å; I158-Y287 WeakPolarHBondContact CD1-OH 3.44Å; I158-V341 HydrophobicContact CD1-CG1 4.2Å; I158-V341 HydrophobicContact CG2-CG1 3.72Å
159	N	94.9	Very high	91.9	Very high	89 Å²	89	75.1 Å²	75.1	48%	0.476	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.3	122.3	175.5	-176.3	-13.6	0	0	0	110.7	Q161 C162	N159-Q161 PolarHBondContact O-N 2.69Å; N159-Q161 PolarHBondContact OD1-N 3.33Å; N159-C162 HydrophobicContact CB-CB 4.41Å; N159-C162 PolarHBondContact O-N 3.31Å; N159-C162 VanDerWaalsContact O-N 3.07Å
160	P	93.7	Very high	91.7	Very high	107 Å²	107	72 Å²	72	70%	0.695	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-57	-32.1	-179.8	-26.8	35.3	0	0	0	114.6	I158 C162 R163	I158-P160 WeakPolarHBondContact O-CD 3.05Å; P160-C162 VanDerWaalsContact C-N 3.27Å; P160-C162 PolarHBondContact O-N 3.02Å; P160-R163 PolarHBondContact O-N 3.26Å
161	Q	93.8	Very high	91.6	Very high	167 Å²	167	67.8 Å²	67.8	78%	0.78	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-68.1	-30.3	179.7	-174.6	179.5	-1.7	0	0	112.3	N159 R163	N159-Q161 PolarHBondContact O-N 2.69Å; N159-Q161 PolarHBondContact OD1-N 3.33Å; Q161-R163 VanDerWaalsContact C-N 3.33Å
162	C	92	Very high	91.4	Very high	52 Å²	52	66 Å²	66	35%	0.351	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-93.8	8	-177.7	-50.4	0	0	0	0	112.1	N159 P160 V341 E342	N159-C162 HydrophobicContact CB-CB 4.41Å; N159-C162 PolarHBondContact O-N 3.31Å; N159-C162 VanDerWaalsContact O-N 3.07Å; P160-C162 VanDerWaalsContact C-N 3.27Å; P160-C162 PolarHBondContact O-N 3.02Å; C162-V341 WeakPolarHBondContact O-CA 3.48Å; C162-E342 PolarHBondContact O-N 2.84Å
163	R	93.4	Very high	91.2	Very high	80 Å²	80	63.7 Å²	63.7	30%	0.302	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.9	175.4	-75.1	-169.5	179.7	-142.2	1.2	110.1	I158 P160 Q161 E336 A338	I158-R163 HydrophobicContact CG2-CG 3.6Å; P160-R163 PolarHBondContact O-N 3.26Å; Q161-R163 VanDerWaalsContact C-N 3.33Å; R163-E336 PolarHBondContact NH1-O 3.33Å; R163-E336 IonicContact NH1-OE2 3.63Å; R163-E336 PolarHBondContact NH2-O 3.29Å; R163-A338 PolarHBondContact NH1-O 2.97Å
164	I	92.7	Very high	91.2	Very high	72 Å²	72	63.6 Å²	63.6	37%	0.369	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.3	171.5	-70.1	178.7	0	0	0	108.8	R340 E342	I164-R340 HydrophobicContact CB-CB 4.21Å; I164-R340 PolarHBondContact N-O 3.29Å; I164-E342 HydrophobicContact CD1-CB 4.09Å; I164-E342 HydrophobicContact CD1-CG 4.32Å; I164-E342 HydrophobicContact CG1-CB 4.06Å
165	Y	92.1	Very high	91.3	Very high	119 Å²	119	58.9 Å²	58.9	47%	0.467	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-72	131	177	-172.4	-108.6	0	0	0	111.3	E167 L401 S404	Y165-E167 HydrophobicContact CD1-CG 4.11Å; Y165-E167 PolarHBondContact O-N 3.48Å; Y165-L401 HydrophobicContact CE2-CD2 3.76Å; Y165-L401 VanDerWaalsContact OH-CD2 3.26Å; Y165-L401 WeakPolarHBondContact OH-CD2 3.41Å; Y165-S404 WeakPolarHBondContact CE1-OG 3.44Å; Y165-S404 PolarHBondContact OH-OG 3.43Å
166	P	89.3	Confident	91.5	Very high	14 Å²	14	58 Å²	58	9%	0.091	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.4	123.3	177.8	-25.5	37.1	0	0	0	113.6	A184 R185 L401	P166-A184 HydrophobicContact CB-CB 3.88Å; P166-R185 WeakPolarHBondContact CB-O 3.3Å; P166-L401 HydrophobicContact CB-CD1 3.97Å; P166-L401 HydrophobicContact CG-CD1 3.93Å
167	E	85.3	Confident	91.6	Very high	104 Å²	104	50.1 Å²	50.1	49%	0.486	26%	0.259	S	S	.	.			trans	-125.1	-21.8	179.2	-64.2	-177.2	176.3	0	0	114	Y165 A405 M410	Y165-E167 HydrophobicContact CD1-CG 4.11Å; Y165-E167 PolarHBondContact O-N 3.48Å; E167-A405 WeakPolarHBondContact O-CA 3.4Å; E167-M410 HydrophobicContact CB-CE 3.88Å
168	E	86.1	Confident	91.7	Very high	44 Å²	44	43.9 Å²	43.9	21%	0.206	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-82.2	130.7	-177.8	-72.1	162.1	-139.6	0	0	111.1	A184 R185 L212 R340	E168-A184 CarbonylContact O-C 3.59Å; E168-A184 WeakPolarHBondContact O-CA 3.22Å; E168-R185 HydrophobicContact CB-CB 4.1Å; E168-R185 WeakPolarHBondContact O-CB 3.32Å; E168-R185 PolarHBondContact O-N 3.27Å; E168-R185 IonicContact OE1-NH1 3.45Å; E168-R185 WeakPolarHBondContact OE2-CD 3.37Å; E168-R185 IonicContact OE2-CZ 3.46Å; E168-R185 IonicContact OE2-NE 2.69Å; E168-R185 IonicContact OE2-NH1 3.09Å; E168-R185 PolarHBondContact OE2-NH1 3.36Å; E168-L212 HydrophobicContact CB-CD2 4.35Å; E168-R340 VanDerWaalsContact CD-NH1 3.31Å; E168-R340 IonicContact OE1-CZ 2.67Å; E168-R340 IonicContact OE1-NH1 2.79Å; E168-R340 PolarHBondContact OE1-NH1 3.15Å; E168-R340 IonicContact OE1-NH2 3.68Å; E168-R340 PolarHBondContact OE1-NH2 3.21Å; E168-R340 IonicContact OE2-NH1 2.67Å
169	M	88.4	Confident	91.8	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.6	175.2	-175.4	175.2	164.9	0	0	111.8	D178 V213 A405 T411 V473	M169-D178 HydrophobicContact CE-CB 3.78Å; M169-D178 VanDerWaalsContact CE-O 3.3Å; M169-D178 WeakPolarHBondContact CE-O 3.44Å; M169-V213 HydrophobicContact CB-CG2 4Å; M169-V213 HydrophobicContact CG-CG2 4.02Å; M169-V213 HydrophobicContact SD-CG2 4.19Å; M169-A405 HydrophobicContact CB-CB 4.02Å; M169-A405 HydrophobicContact CG-CB 4.49Å; M169-T411 HydrophobicContact CB-CG2 4.42Å; M169-T411 HydrophobicContact SD-CG2 3.42Å; M169-T411 WeakPolarHBondContact SD-CG2 3.49Å; M169-V473 HydrophobicContact CE-CG2 4.04Å; M169-V473 HydrophobicContact SD-CG2 4.4Å
170	I	88.8	Confident	91.7	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.9	164	-65.2	175.6	0	0	0	107.9	T172 I183 R185 T349	I170-T172 HydrophobicContact CG2-CG2 4.4Å; I170-I183 PolarHBondContact N-O 3.44Å; I170-R185 HydrophobicContact CD1-CB 4.1Å; I170-R185 HydrophobicContact CD1-CG 4.38Å; I170-R185 HydrophobicContact CG1-CB 3.97Å; I170-T349 HydrophobicContact CD1-CG2 3.82Å; I170-T349 WeakPolarHBondContact CD1-OG1 3.34Å
171	Q	89.3	Confident	91.8	Very high	23 Å²	23	34 Å²	34	11%	0.107	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.6	167.9	-172	-176.9	-51.9	0	0	108	D178 A210 G211 V213 R471	Q171-D178 VanDerWaalsContact CG-OD2 3.31Å; Q171-D178 WeakPolarHBondContact CG-OD2 3.33Å; Q171-A210 WeakPolarHBondContact O-CA 3.42Å; Q171-G211 PolarHBondContact N-O 2.74Å; Q171-G211 PolarHBondContact O-N 2.88Å; Q171-V213 HydrophobicContact CB-CG2 3.99Å; Q171-R471 PolarHBondContact NE2-O 2.91Å
172	T	89.6	Confident	91.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	12%	0.123	C	C	.	.			trans	-92.6	-13.7	177	63.4	0	0	0	0	112.6	I170 I174 I177 D178 I183 I206 Q209	I170-T172 HydrophobicContact CG2-CG2 4.4Å; T172-I174 PolarHBondContact O-N 3.28Å; T172-I174 PolarHBondContact OG1-N 3.33Å; T172-I177 HydrophobicContact CG2-CG2 4.06Å; T172-D178 WeakPolarHBondContact CB-OD1 3.44Å; T172-D178 PolarHBondContact N-OD1 3.35Å; T172-D178 PolarHBondContact N-OD2 3.45Å; T172-D178 VanDerWaalsContact N-OD2 3.08Å; T172-D178 PolarHBondContact OG1-OD1 2.67Å; T172-I183 HydrophobicContact CG2-CD1 3.97Å; T172-I206 HydrophobicContact CG2-CG2 4.19Å; T172-Q209 WeakPolarHBondContact O-CB 3.27Å; T172-Q209 PolarHBondContact O-OE1 2.86Å
173	G	90.1	Very high	91.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	83.1	-10.9	-175.2	0	0	0	0	0	113.2	D178 Q465 N470 R471	G173-D178 PolarHBondContact N-OD2 3.3Å; G173-Q465 PolarHBondContact O-NE2 3.1Å; G173-Q465 PolarHBondContact O-OE1 2.93Å; G173-N470 WeakPolarHBondContact CA-OD1 3.36Å; G173-R471 WeakPolarHBondContact CA-O 3.22Å; G173-R471 PolarHBondContact O-N 3.33Å; G173-R471 VanDerWaalsContact O-N 3.14Å
174	I	95	Very high	91.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.			trans	-95.2	116.3	-179.5	-62	177.3	0	0	0	109.6	T172 A176 I177 D178 I202 Q205 I206 P390 I392	T172-I174 PolarHBondContact O-N 3.28Å; T172-I174 PolarHBondContact OG1-N 3.33Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 HydrophobicContact CG2-CB 4.36Å; I174-A176 PolarHBondContact O-N 3.24Å; I174-I177 HydrophobicContact CB-CB 4.31Å; I174-I177 HydrophobicContact CB-CD1 4.08Å; I174-I177 HydrophobicContact CB-CG1 4.19Å; I174-I177 HydrophobicContact CD1-CD1 3.95Å; I174-I177 HydrophobicContact CG2-CB 4.38Å; I174-I177 HydrophobicContact CG2-CD1 4.1Å; I174-I177 HydrophobicContact CG2-CG1 3.92Å; I174-I177 PolarHBondContact O-N 2.94Å; I174-D178 PolarHBondContact O-N 3.33Å; I174-I202 HydrophobicContact CD1-CG2 3.98Å; I174-Q205 HydrophobicContact CD1-CB 4.46Å; I174-Q205 HydrophobicContact CD1-CG 4.12Å; I174-Q205 HydrophobicContact CG1-CG 4.22Å; I174-I206 HydrophobicContact CD1-CD1 4.4Å; I174-I206 HydrophobicContact CD1-CG1 3.76Å; I174-P390 HydrophobicContact CG2-CG 3.75Å; I174-I392 HydrophobicContact CG2-CD1 4.1Å
175	S	95	Very high	91.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55	-41.6	-177.2	51.6	0	0	0	0	114.2	I177 G179 F462 Q465	S175-I177 VanDerWaalsContact C-N 3.27Å; S175-I177 PolarHBondContact O-N 3.03Å; S175-G179 PolarHBondContact O-N 3.42Å; S175-F462 WeakPolarHBondContact CB-O 3.18Å; S175-F462 PolarHBondContact OG-O 2.89Å; S175-Q465 VanDerWaalsContact N-OE1 3.13Å; S175-Q465 PolarHBondContact OG-OE1 3.23Å
176	A	95.1	Very high	91.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.3	-26.5	179.9	0	0	0	0	0	113.1	I174 M180 I392	I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 HydrophobicContact CG2-CB 4.36Å; I174-A176 PolarHBondContact O-N 3.24Å; A176-M180 WeakPolarHBondContact O-CB 3.35Å; A176-I392 HydrophobicContact CB-CB 4.12Å; A176-I392 HydrophobicContact CB-CD1 4.16Å; A176-I392 HydrophobicContact CB-CG2 4.22Å
177	I	95	Very high	91.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-87.8	-57.1	175.1	-59	176.7	0	0	0	108.5	T172 I174 S175 G179 N181 S182 I183 I206 I377 I392	T172-I177 HydrophobicContact CG2-CG2 4.06Å; I174-I177 HydrophobicContact CB-CB 4.31Å; I174-I177 HydrophobicContact CB-CD1 4.08Å; I174-I177 HydrophobicContact CB-CG1 4.19Å; I174-I177 HydrophobicContact CD1-CD1 3.95Å; I174-I177 HydrophobicContact CG2-CB 4.38Å; I174-I177 HydrophobicContact CG2-CD1 4.1Å; I174-I177 HydrophobicContact CG2-CG1 3.92Å; I174-I177 PolarHBondContact O-N 2.94Å; S175-I177 VanDerWaalsContact C-N 3.27Å; S175-I177 PolarHBondContact O-N 3.03Å; I177-G179 PolarHBondContact O-N 3.43Å; I177-N181 CarbonylContact O-C 3.54Å; I177-N181 WeakPolarHBondContact O-CA 3.08Å; I177-N181 PolarHBondContact O-N 3.23Å; I177-S182 WeakPolarHBondContact O-CA 3.35Å; I177-S182 PolarHBondContact O-N 2.83Å; I177-I183 HydrophobicContact CG2-CD1 3.62Å; I177-I183 HydrophobicContact CG2-CG1 3.8Å; I177-I206 HydrophobicContact CD1-CD1 3.76Å; I177-I206 HydrophobicContact CD1-CG1 4.26Å; I177-I377 HydrophobicContact CD1-CD1 3.83Å; I177-I377 HydrophobicContact CG1-CD1 3.96Å; I177-I377 HydrophobicContact CG2-CD1 4.08Å; I177-I392 HydrophobicContact CD1-CD1 4.07Å; I177-I392 HydrophobicContact CG1-CD1 3.8Å
178	D	94.2	Very high	92.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-172.1	-71.4	-8.3	0	0	0	113	M169 Q171 T172 G173 I174 S182 H415	M169-D178 HydrophobicContact CE-CB 3.78Å; M169-D178 VanDerWaalsContact CE-O 3.3Å; M169-D178 WeakPolarHBondContact CE-O 3.44Å; Q171-D178 VanDerWaalsContact CG-OD2 3.31Å; Q171-D178 WeakPolarHBondContact CG-OD2 3.33Å; T172-D178 WeakPolarHBondContact CB-OD1 3.44Å; T172-D178 PolarHBondContact N-OD1 3.35Å; T172-D178 PolarHBondContact N-OD2 3.45Å; T172-D178 VanDerWaalsContact N-OD2 3.08Å; T172-D178 PolarHBondContact OG1-OD1 2.67Å; G173-D178 PolarHBondContact N-OD2 3.3Å; I174-D178 PolarHBondContact O-N 3.33Å; D178-S182 PolarHBondContact O-OG 2.85Å; D178-H415 PolarHBondContact O-CE1 3.22Å; D178-H415 VanDerWaalsContact O-CE1 3.27Å; D178-H415 PolarHBondContact O-NE2 3.12Å
179	G	93.3	Very high	92.9	Very high	3 Å²	3	4.1 Å²	4.1	3%	0.031	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-34.8	-177	0	0	0	0	0	115.1	S175 I177 H415 S419	S175-G179 PolarHBondContact O-N 3.42Å; I177-G179 PolarHBondContact O-N 3.43Å; G179-H415 PolarHBondContact O-NE2 3.13Å; G179-S419 WeakPolarHBondContact O-CB 3.01Å; G179-S419 PolarHBondContact O-OG 3.09Å
180	M	94.3	Very high	93.3	Very high	8 Å²	8	3.8 Å²	3.8	4%	0.039	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-34.4	-174.6	-57.2	-65.8	-64	0	0	113.2	A176 V394 L422 Y423 F458 F462	A176-M180 WeakPolarHBondContact O-CB 3.35Å; M180-V394 HydrophobicContact CB-CG1 4.2Å; M180-V394 HydrophobicContact CE-CB 4.43Å; M180-V394 HydrophobicContact CE-CG2 4.46Å; M180-V394 HydrophobicContact CG-CG1 4.01Å; M180-L422 HydrophobicContact CE-CB 4.16Å; M180-L422 HydrophobicContact SD-CB 3.95Å; M180-L422 HydrophobicContact SD-CD1 4.12Å; M180-Y423 HydrophobicContact CE-CD2 4.24Å; M180-F458 HydrophobicContact SD-CZ 4.43Å; M180-F462 HydrophobicContact CG-CE1 3.75Å; M180-F462 HydrophobicContact CG-CZ 4.21Å; M180-F462 HydrophobicContact SD-CE1 4.26Å; M180-F462 HydrophobicContact SD-CZ 4.37Å
181	N	95.2	Very high	93.7	Very high	9 Å²	9	3.4 Å²	3.4	5%	0.048	2%	0.017	C	C	.	.	S	Bend	trans	-137.1	52.7	-171.3	-65.7	-63.6	0	0	0	110.7	I177 I183 S397 L398	I177-N181 CarbonylContact O-C 3.54Å; I177-N181 WeakPolarHBondContact O-CA 3.08Å; I177-N181 PolarHBondContact O-N 3.23Å; N181-I183 PolarHBondContact O-N 2.86Å; N181-S397 VanDerWaalsContact ND2-CB 3.32Å; N181-S397 WeakPolarHBondContact ND2-CB 3.4Å; N181-S397 PolarHBondContact OD1-O 3.44Å; N181-L398 VanDerWaalsContact OD1-CA 3.28Å; N181-L398 WeakPolarHBondContact OD1-CA 3.22Å; N181-L398 PolarHBondContact OD1-N 2.72Å
182	S	93.3	Very high	94.1	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	P	Polyproline II helix	trans	-55	139.5	-171.9	-39.2	0	0	0	0	111.8	I177 D178 S399 H415	I177-S182 WeakPolarHBondContact O-CA 3.35Å; I177-S182 PolarHBondContact O-N 2.83Å; D178-S182 PolarHBondContact O-OG 2.85Å; S182-S399 WeakPolarHBondContact O-CB 3.07Å; S182-S399 PolarHBondContact O-OG 3.1Å; S182-H415 PolarHBondContact OG-CE1 2.73Å; S182-H415 PolarHBondContact OG-NE2 3.41Å
183	I	93.9	Very high	94.5	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.005	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.2	-176.9	-56.6	178.5	0	0	0	109.4	I170 T172 I177 N181 Q187 I189 T349 I351 I377	I170-I183 PolarHBondContact N-O 3.44Å; T172-I183 HydrophobicContact CG2-CD1 3.97Å; I177-I183 HydrophobicContact CG2-CD1 3.62Å; I177-I183 HydrophobicContact CG2-CG1 3.8Å; N181-I183 PolarHBondContact O-N 2.86Å; I183-Q187 HydrophobicContact CG2-CB 4.32Å; I183-I189 HydrophobicContact CD1-CD1 4.5Å; I183-I189 HydrophobicContact CD1-CG2 3.71Å; I183-I189 HydrophobicContact CG1-CD1 4.11Å; I183-I189 HydrophobicContact CG1-CG2 3.97Å; I183-I189 HydrophobicContact CG2-CG2 3.9Å; I183-T349 HydrophobicContact CG2-CG2 4.29Å; I183-I351 HydrophobicContact CD1-CD1 4.39Å; I183-I377 HydrophobicContact CD1-CD1 4.28Å
184	A	91.9	Very high	94.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	150.4	172.1	0	0	0	0	0	111.4	P166 E168 G186 Q187 L401 A405	P166-A184 HydrophobicContact CB-CB 3.88Å; E168-A184 CarbonylContact O-C 3.59Å; E168-A184 WeakPolarHBondContact O-CA 3.22Å; A184-G186 PolarHBondContact O-N 2.85Å; A184-Q187 HydrophobicContact CB-CB 4.25Å; A184-Q187 WeakPolarHBondContact O-CB 3.28Å; A184-Q187 PolarHBondContact O-N 2.93Å; A184-L401 HydrophobicContact CB-CB 3.95Å; A184-L401 HydrophobicContact CB-CD1 4.23Å; A184-A405 HydrophobicContact CB-CB 4.17Å
185	R	89.4	Confident	94.6	Very high	13 Å²	13	6 Å²	6	5%	0.049	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	115.3	178.5	-179.3	177.4	161.9	-147.3	-17.8	111.2	P166 E168 I170 H292 N345 S347	P166-R185 WeakPolarHBondContact CB-O 3.3Å; E168-R185 HydrophobicContact CB-CB 4.1Å; E168-R185 WeakPolarHBondContact O-CB 3.32Å; E168-R185 PolarHBondContact O-N 3.27Å; E168-R185 IonicContact OE1-NH1 3.45Å; E168-R185 WeakPolarHBondContact OE2-CD 3.37Å; E168-R185 IonicContact OE2-CZ 3.46Å; E168-R185 IonicContact OE2-NE 2.69Å; E168-R185 IonicContact OE2-NH1 3.09Å; E168-R185 PolarHBondContact OE2-NH1 3.36Å; I170-R185 HydrophobicContact CD1-CB 4.1Å; I170-R185 HydrophobicContact CD1-CG 4.38Å; I170-R185 HydrophobicContact CG1-CB 3.97Å; R185-H292 VanDerWaalsContact CZ-CE1 3.46Å; R185-H292 PolarHBondContact NH1-CD2 2.97Å; R185-H292 PolarHBondContact NH1-NE2 2.64Å; R185-H292 VanDerWaalsContact NH1-NE2 3.16Å; R185-H292 PolarHBondContact NH2-CD2 2.99Å; R185-H292 VanDerWaalsContact NH2-CD2 3.29Å; R185-H292 PolarHBondContact NH2-CE1 2.86Å; R185-H292 PolarHBondContact NH2-ND1 2.88Å; R185-H292 PolarHBondContact NH2-NE2 3.13Å; R185-H292 VanDerWaalsContact NH2-NE2 3.16Å; R185-N345 PolarHBondContact NH2-O 2.8Å; R185-S347 WeakPolarHBondContact CG-OG 3.3Å; R185-S347 PolarHBondContact NE-OG 3.18Å; R185-S347 PolarHBondContact NH2-OG 3.41Å
186	G	91.3	Very high	94.4	Very high	3 Å²	3	9 Å²	9	3%	0.031	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-1.1	-169	0	0	0	0	0	113.7	A184 G339 I348 T349	A184-G186 PolarHBondContact O-N 2.85Å; G186-G339 WeakPolarHBondContact O-CA 3.48Å; G186-G339 PolarHBondContact O-N 3.44Å; G186-I348 WeakPolarHBondContact CA-O 3.5Å; G186-T349 PolarHBondContact N-OG1 2.93Å
187	Q	94.9	Very high	94.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	8%	0.075	C	C	.	.			trans	-74.6	151.6	177.3	-170.6	170.8	4.4	0	0	111.5	I183 A184 I189 T349 Q350 E374 S399 L401	I183-Q187 HydrophobicContact CG2-CB 4.32Å; A184-Q187 HydrophobicContact CB-CB 4.25Å; A184-Q187 WeakPolarHBondContact O-CB 3.28Å; A184-Q187 PolarHBondContact O-N 2.93Å; Q187-I189 HydrophobicContact CG-CB 4.45Å; Q187-T349 WeakPolarHBondContact O-CG2 3.44Å; Q187-Q350 PolarHBondContact O-N 3.5Å; Q187-E374 HydrophobicContact CG-CB 4.29Å; Q187-E374 WeakPolarHBondContact CG-OE2 3.36Å; Q187-E374 PolarHBondContact NE2-O 2.78Å; Q187-S399 PolarHBondContact NE2-OG 2.97Å; Q187-S399 PolarHBondContact OE1-OG 2.78Å; Q187-L401 HydrophobicContact CB-CD1 3.97Å; Q187-L401 HydrophobicContact CG-CD1 3.81Å; Q187-L401 HydrophobicContact CG-CG 4.27Å
188	K	96.1	Very high	94.4	Very high	9 Å²	9	10 Å²	10	4%	0.039	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-107.2	106.9	167.3	50.1	-177.7	-170.3	-87.3	0	110.1	Y335 E336 A338 Q350 I372 E374	K188-Y335 VanDerWaalsContact CD-O 3.29Å; K188-Y335 WeakPolarHBondContact CD-O 3.49Å; K188-E336 WeakPolarHBondContact CE-OE1 3.29Å; K188-E336 IonicContact NZ-OE1 3.79Å; K188-E336 PolarHBondContact NZ-OE1 3.08Å; K188-E336 IonicContact NZ-OE2 3.51Å; K188-E336 PolarHBondContact NZ-OE2 2.96Å; K188-A338 HydrophobicContact CB-CB 4.1Å; K188-Q350 HydrophobicContact CB-CB 4.35Å; K188-I372 WeakPolarHBondContact CE-O 3.49Å; K188-E374 HydrophobicContact CG-CG 4.21Å; K188-E374 IonicContact NZ-OE1 2.7Å; K188-E374 PolarHBondContact NZ-OE1 3.11Å; K188-E374 PolarHBondContact O-N 3.48Å; K188-E374 VanDerWaalsContact O-N 3.11Å
189	I	96.6	Very high	94.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.083	C	C	.	.			trans	-132.4	112.6	-176.8	-171.7	169.6	0	0	0	111.5	I183 Q187 Q350 I351 I377	I183-I189 HydrophobicContact CD1-CD1 4.5Å; I183-I189 HydrophobicContact CD1-CG2 3.71Å; I183-I189 HydrophobicContact CG1-CD1 4.11Å; I183-I189 HydrophobicContact CG1-CG2 3.97Å; I183-I189 HydrophobicContact CG2-CG2 3.9Å; Q187-I189 HydrophobicContact CG-CB 4.45Å; I189-Q350 PolarHBondContact N-O 2.79Å; I189-I351 HydrophobicContact CG2-CG1 4.3Å; I189-I351 WeakPolarHBondContact O-CA 3.16Å; I189-I377 HydrophobicContact CD1-CD1 4.05Å; I189-I377 HydrophobicContact CD1-CG1 3.88Å; I189-I377 HydrophobicContact CG1-CD1 4.39Å; I189-I377 HydrophobicContact CG1-CG1 4.22Å
190	P	97.6	Very high	94.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	9%	0.087	C	C	.	.			trans	-79.9	156.6	-178.8	33.5	-36.1	0	0	0	112.4	F192 P352 T369 T373 G375 Q376 I377	P190-F192 HydrophobicContact CB-CD1 3.98Å; P190-F192 HydrophobicContact CB-CE1 3.69Å; P190-F192 HydrophobicContact CG-CD1 4.07Å; P190-F192 HydrophobicContact CG-CE1 3.5Å; P190-F192 VanDerWaalsContact CG-CE1 3.5Å; P190-F192 HydrophobicContact CG-CZ 4.26Å; P190-P352 CarbonylContact C-O 3.59Å; P190-P352 WeakPolarHBondContact CA-O 3.29Å; P190-P352 HydrophobicContact CB-CG 3.96Å; P190-P352 WeakPolarHBondContact CB-O 3.45Å; P190-T369 HydrophobicContact CB-CG2 3.96Å; P190-T369 HydrophobicContact CG-CG2 3.99Å; P190-T373 VanDerWaalsContact CD-OG1 3.31Å; P190-T373 WeakPolarHBondContact CD-OG1 3.09Å; P190-T373 HydrophobicContact CG-CG2 4.21Å; P190-T373 WeakPolarHBondContact CG-OG1 3.5Å; P190-G375 WeakPolarHBondContact CD-O 3.42Å; P190-G375 WeakPolarHBondContact CG-O 3.46Å; P190-Q376 HydrophobicContact CG-CB 3.89Å; P190-I377 PolarHBondContact O-N 2.86Å
191	I	97.8	Very high	94.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.2	164.8	-58	177.5	0	0	0	108.2	I202 I206 I351 P352 I353 L354 I377 V379	I191-I202 HydrophobicContact CD1-CG2 4.47Å; I191-I206 HydrophobicContact CD1-CD1 3.93Å; I191-I351 HydrophobicContact CD1-CG2 3.72Å; I191-I351 HydrophobicContact CG1-CG2 3.81Å; I191-P352 PolarHBondContact N-O 2.82Å; I191-I353 HydrophobicContact CB-CG1 4.32Å; I191-I353 HydrophobicContact CB-CG2 4.43Å; I191-I353 HydrophobicContact CD1-CG1 4.4Å; I191-L354 PolarHBondContact O-N 3.36Å; I191-I377 CarbonylContact C-O 3.59Å; I191-I377 WeakPolarHBondContact CA-O 3.2Å; I191-I377 HydrophobicContact CG1-CB 4.32Å; I191-I377 HydrophobicContact CG1-CD1 4.42Å; I191-V379 HydrophobicContact CG2-CG2 3.57Å
192	F	97.6	Very high	94.3	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.6	173.4	-71.9	9.7	0	0	0	108.4	P190 L354 M356 I361 P366 T369 Q376 I377 Y378 V379	P190-F192 HydrophobicContact CB-CD1 3.98Å; P190-F192 HydrophobicContact CB-CE1 3.69Å; P190-F192 HydrophobicContact CG-CD1 4.07Å; P190-F192 HydrophobicContact CG-CE1 3.5Å; P190-F192 VanDerWaalsContact CG-CE1 3.5Å; P190-F192 HydrophobicContact CG-CZ 4.26Å; F192-L354 HydrophobicContact CB-CD1 4.46Å; F192-L354 HydrophobicContact CD1-CD1 3.71Å; F192-L354 HydrophobicContact CD1-CD2 3.65Å; F192-L354 HydrophobicContact CD1-CG 3.62Å; F192-L354 HydrophobicContact CE1-CD1 4.17Å; F192-L354 HydrophobicContact CE1-CD2 3.42Å; F192-L354 VanDerWaalsContact CE1-CD2 3.42Å; F192-L354 HydrophobicContact CE1-CG 3.97Å; F192-L354 HydrophobicContact CG-CD1 4.09Å; F192-L354 HydrophobicContact CG-CG 4.45Å; F192-L354 HydrophobicContact CZ-CD2 4.33Å; F192-M356 HydrophobicContact CB-CE 4.08Å; F192-M356 HydrophobicContact CB-SD 4.02Å; F192-M356 HydrophobicContact CD2-SD 4.11Å; F192-M356 HydrophobicContact CG-SD 4.34Å; F192-I361 HydrophobicContact CD2-CG1 4.37Å; F192-I361 HydrophobicContact CE2-CG1 4.44Å; F192-P366 HydrophobicContact CD2-CB 3.97Å; F192-P366 HydrophobicContact CE1-CB 4.47Å; F192-P366 HydrophobicContact CE2-CB 3.57Å; F192-P366 HydrophobicContact CZ-CB 3.86Å; F192-P366 WeakPolarHBondContact CZ-O 3.43Å; F192-T369 HydrophobicContact CE1-CG2 3.95Å; F192-T369 HydrophobicContact CZ-CG2 4.35Å; F192-Q376 HydrophobicContact CD1-CB 4.28Å; F192-Q376 HydrophobicContact CD2-CB 4.16Å; F192-Q376 HydrophobicContact CD2-CG 4.15Å; F192-Q376 HydrophobicContact CE1-CB 4.14Å; F192-Q376 HydrophobicContact CE2-CB 4.03Å; F192-Q376 HydrophobicContact CE2-CG 4.07Å; F192-Q376 HydrophobicContact CG-CB 4.28Å; F192-Q376 HydrophobicContact CZ-CB 4.02Å; F192-I377 PolarHBondContact N-O 2.77Å; F192-Y378 HydrophobicContact CB-CD2 4.13Å; F192-Y378 HydrophobicContact CD2-CD2 4.43Å; F192-V379 PolarHBondContact O-N 3.29Å
193	S	96.8	Very high	94.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-175.2	-179.1	-173.3	0	0	0	0	110.4	H199 L354 T355 M356	S193-H199 VanDerWaalsContact OG-CB 3.24Å; S193-H199 WeakPolarHBondContact OG-CB 3.43Å; S193-H199 VanDerWaalsContact OG-CG 3.23Å; S193-H199 PolarHBondContact OG-ND1 3.48Å; S193-L354 PolarHBondContact N-O 2.92Å; S193-T355 CarbonylContact O-C 3.6Å; S193-M356 WeakPolarHBondContact O-CB 3.38Å; S193-M356 WeakPolarHBondContact O-CE 3.45Å; S193-M356 WeakPolarHBondContact O-CG 3.46Å; S193-M356 PolarHBondContact O-N 3.4Å
194	A	95	Very high	94.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	166	171.4	0	0	0	0	0	111.4	G196 L197 D359	A194-G196 PolarHBondContact O-N 3.14Å; A194-L197 HydrophobicContact CB-CD1 3.79Å; A194-L197 HydrophobicContact CB-CG 4.15Å; A194-L197 WeakPolarHBondContact O-CB 3.49Å; A194-L197 PolarHBondContact O-N 3.4Å; A194-L197 VanDerWaalsContact O-N 3.11Å; A194-D359 WeakPolarHBondContact CB-OD1 3.41Å
195	A	92.8	Very high	94.1	Very high	73 Å²	73	14.4 Å²	14.4	60%	0.603	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	127.4	176.9	0	0	0	0	0	111.1	R381	A195-R381 PolarHBondContact O-NH1 2.88Å; A195-R381 PolarHBondContact O-NH2 3.34Å
196	G	90.9	Very high	94.1	Very high	65 Å²	65	13.8 Å²	13.8	67%	0.67	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	1.6	-179.3	0	0	0	0	0	115.7	A194	A194-G196 PolarHBondContact O-N 3.14Å
197	L	95	Very high	93.8	Very high	7 Å²	7	14 Å²	14	4%	0.037	10%	0.098	C	C	.	.	S	Bend	trans	-88.8	152.7	173	-60.5	-174.5	0	0	0	111.7	A194 H199 V379 R381 H384	A194-L197 HydrophobicContact CB-CD1 3.79Å; A194-L197 HydrophobicContact CB-CG 4.15Å; A194-L197 WeakPolarHBondContact O-CB 3.49Å; A194-L197 PolarHBondContact O-N 3.4Å; A194-L197 VanDerWaalsContact O-N 3.11Å; L197-H199 PolarHBondContact O-CE1 3.1Å; L197-H199 PolarHBondContact O-N 2.99Å; L197-H199 PolarHBondContact O-ND1 2.71Å; L197-V379 HydrophobicContact CB-CG1 4.15Å; L197-V379 HydrophobicContact CD1-CB 4.4Å; L197-V379 HydrophobicContact CD1-CG1 4.03Å; L197-V379 WeakPolarHBondContact CD1-O 3.23Å; L197-R381 HydrophobicContact CD1-CB 4.45Å; L197-R381 HydrophobicContact CD2-CB 4.02Å; L197-R381 HydrophobicContact CD2-CG 4.15Å; L197-H384 HydrophobicContact CD2-CB 3.84Å
198	P	95	Very high	93.3	Very high	14 Å²	14	16.2 Å²	16.2	9%	0.091	11%	0.106	C	C	.	.			trans	-82.1	52.1	-172.2	35.4	-38.4	0	0	0	113.2	E201 I202 Y389 P391	P198-E201 WeakPolarHBondContact CA-OE2 3.29Å; P198-E201 HydrophobicContact CB-CB 4.37Å; P198-E201 HydrophobicContact CB-CG 4.45Å; P198-E201 WeakPolarHBondContact CB-OE2 3.35Å; P198-I202 WeakPolarHBondContact O-CD1 3.29Å; P198-I202 VanDerWaalsContact O-CG1 3.25Å; P198-I202 WeakPolarHBondContact O-CG1 3.36Å; P198-I202 PolarHBondContact O-N 2.99Å; P198-Y389 HydrophobicContact CB-CE2 4.39Å; P198-Y389 HydrophobicContact CG-CD2 4.36Å; P198-Y389 HydrophobicContact CG-CE2 4.49Å; P198-P391 HydrophobicContact CG-CG 3.78Å
199	H	94.4	Very high	92.8	Very high	17 Å²	17	16.5 Å²	16.5	8%	0.079	11%	0.108	C	C	.	.	H	α-helix	trans	-73.5	-28.1	-179	52.9	-82.3	0	0	0	113.2	S193 L197 A203 I353	S193-H199 VanDerWaalsContact OG-CB 3.24Å; S193-H199 WeakPolarHBondContact OG-CB 3.43Å; S193-H199 VanDerWaalsContact OG-CG 3.23Å; S193-H199 PolarHBondContact OG-ND1 3.48Å; L197-H199 PolarHBondContact O-CE1 3.1Å; L197-H199 PolarHBondContact O-N 2.99Å; L197-H199 PolarHBondContact O-ND1 2.71Å; H199-A203 WeakPolarHBondContact O-CB 3.32Å; H199-A203 PolarHBondContact O-N 3.04Å; H199-I353 HydrophobicContact CB-CG2 4.24Å
200	N	93.4	Very high	92.1	Very high	21 Å²	21	17.3 Å²	17.3	11%	0.112	11%	0.114	C	C	.	.	H	α-helix	trans	-70.7	-39.3	178	-64.6	-45.7	0	0	0	110.7	A203 A204 F243 F244	N200-A203 PolarHBondContact O-N 2.76Å; N200-A204 WeakPolarHBondContact O-CB 3.42Å; N200-A204 PolarHBondContact O-N 2.64Å; N200-F243 HydrophobicContact CB-CD1 4.34Å; N200-F243 HydrophobicContact CB-CE1 4.17Å; N200-F244 HydrophobicContact CB-CE2 3.84Å; N200-F244 HydrophobicContact CB-CZ 3.59Å; N200-F244 WeakPolarHBondContact O-CE1 3.36Å
201	E	92.9	Very high	90.9	Very high	73 Å²	73	18.4 Å²	18.4	34%	0.341	13%	0.126	S	C	.	.	H	α-helix	trans	-66.1	-40.9	176.7	-63.8	82.4	168.2	0	0	111.2	P198 Q205 F243 Y389	P198-E201 WeakPolarHBondContact CA-OE2 3.29Å; P198-E201 HydrophobicContact CB-CB 4.37Å; P198-E201 HydrophobicContact CB-CG 4.45Å; P198-E201 WeakPolarHBondContact CB-OE2 3.35Å; E201-Q205 WeakPolarHBondContact O-CB 3.45Å; E201-Q205 PolarHBondContact O-N 3.24Å; E201-F243 HydrophobicContact CB-CZ 4.44Å; E201-F243 HydrophobicContact CG-CE2 4.44Å; E201-F243 HydrophobicContact CG-CZ 3.96Å; E201-Y389 HydrophobicContact CB-CE2 4.14Å; E201-Y389 PolarHBondContact O-OH 3.03Å
202	I	93.5	Very high	89.6	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-44.4	173.2	-64	165.5	0	0	0	110.2	I174 I191 P198 Q205 I206 V379 Y389 P390	I174-I202 HydrophobicContact CD1-CG2 3.98Å; I191-I202 HydrophobicContact CD1-CG2 4.47Å; P198-I202 WeakPolarHBondContact O-CD1 3.29Å; P198-I202 VanDerWaalsContact O-CG1 3.25Å; P198-I202 WeakPolarHBondContact O-CG1 3.36Å; P198-I202 PolarHBondContact O-N 2.99Å; I202-Q205 WeakPolarHBondContact O-CB 3.22Å; I202-Q205 PolarHBondContact O-N 2.57Å; I202-I206 HydrophobicContact CG2-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CG1 4.46Å; I202-I206 VanDerWaalsContact O-CG1 3.31Å; I202-I206 WeakPolarHBondContact O-CG1 3.47Å; I202-I206 PolarHBondContact O-N 3.39Å; I202-V379 HydrophobicContact CD1-CG1 4.19Å; I202-V379 HydrophobicContact CD1-CG2 4.06Å; I202-Y389 HydrophobicContact CG1-CE2 4.38Å; I202-P390 HydrophobicContact CD1-CB 3.87Å; I202-P390 HydrophobicContact CG1-CB 3.79Å
203	A	92.3	Very high	87.9	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-43.2	179	0	0	0	0	0	112.5	H199 N200 Q205 I206 C207 F244 I296 I353	H199-A203 WeakPolarHBondContact O-CB 3.32Å; H199-A203 PolarHBondContact O-N 3.04Å; N200-A203 PolarHBondContact O-N 2.76Å; A203-Q205 VanDerWaalsContact C-N 3.34Å; A203-I206 PolarHBondContact O-N 2.94Å; A203-C207 PolarHBondContact O-N 3.26Å; A203-F244 HydrophobicContact CB-CE1 4.31Å; A203-F244 HydrophobicContact CB-CZ 4.39Å; A203-I296 HydrophobicContact CB-CD1 4.47Å; A203-I353 HydrophobicContact CB-CD1 3.36Å
204	A	90.6	Very high	86.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-43.5	173.9	0	0	0	0	0	110.9	N200 I206 C207 R208 F243 F244	N200-A204 WeakPolarHBondContact O-CB 3.42Å; N200-A204 PolarHBondContact O-N 2.64Å; A204-I206 PolarHBondContact O-N 2.82Å; A204-C207 WeakPolarHBondContact O-CB 3.07Å; A204-C207 PolarHBondContact O-N 3.03Å; A204-R208 WeakPolarHBondContact O-CG 3.29Å; A204-R208 PolarHBondContact O-N 3.47Å; A204-F243 HydrophobicContact CB-CE1 3.83Å; A204-F243 HydrophobicContact CB-CZ 3.97Å; A204-F244 HydrophobicContact CB-CD1 4.34Å; A204-F244 HydrophobicContact CB-CE1 4.07Å
205	Q	91.6	Very high	84.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-47.4	174.1	-177.5	174.7	1.1	0	0	112.1	I174 E201 I202 A203 C207 R208 Q209 Y389 G466 E469	I174-Q205 HydrophobicContact CD1-CB 4.46Å; I174-Q205 HydrophobicContact CD1-CG 4.12Å; I174-Q205 HydrophobicContact CG1-CG 4.22Å; E201-Q205 WeakPolarHBondContact O-CB 3.45Å; E201-Q205 PolarHBondContact O-N 3.24Å; I202-Q205 WeakPolarHBondContact O-CB 3.22Å; I202-Q205 PolarHBondContact O-N 2.57Å; A203-Q205 VanDerWaalsContact C-N 3.34Å; Q205-C207 VanDerWaalsContact C-N 3.33Å; Q205-C207 PolarHBondContact O-N 3.05Å; Q205-R208 PolarHBondContact O-N 2.97Å; Q205-Q209 HydrophobicContact CG-CG 4.4Å; Q205-Q209 VanDerWaalsContact NE2-OE1 3.13Å; Q205-Q209 WeakPolarHBondContact O-CB 3.3Å; Q205-Q209 WeakPolarHBondContact O-CG 3.49Å; Q205-Q209 PolarHBondContact O-N 3.2Å; Q205-Y389 PolarHBondContact OE1-OH 3.47Å; Q205-G466 PolarHBondContact NE2-O 3.26Å; Q205-E469 PolarHBondContact NE2-O 3.07Å
206	I	90.1	Very high	81.5	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-44.8	176.3	-66	165.6	0	0	0	110.2	T172 I174 I177 I191 I202 A203 A204 R208 Q209 A210 I351	T172-I206 HydrophobicContact CG2-CG2 4.19Å; I174-I206 HydrophobicContact CD1-CD1 4.4Å; I174-I206 HydrophobicContact CD1-CG1 3.76Å; I177-I206 HydrophobicContact CD1-CD1 3.76Å; I177-I206 HydrophobicContact CD1-CG1 4.26Å; I191-I206 HydrophobicContact CD1-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CG1 4.46Å; I202-I206 VanDerWaalsContact O-CG1 3.31Å; I202-I206 WeakPolarHBondContact O-CG1 3.47Å; I202-I206 PolarHBondContact O-N 3.39Å; A203-I206 PolarHBondContact O-N 2.94Å; A204-I206 PolarHBondContact O-N 2.82Å; I206-R208 PolarHBondContact O-N 3.29Å; I206-Q209 PolarHBondContact O-N 3.49Å; I206-A210 WeakPolarHBondContact O-CA 3.41Å; I206-A210 WeakPolarHBondContact O-CB 3.3Å; I206-A210 PolarHBondContact O-N 3.05Å; I206-I351 HydrophobicContact CG2-CD1 3.83Å
207	C	85.8	Confident	79	Confident	6 Å²	6	40 Å²	40	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-43.5	177.2	-87.8	0	0	0	0	113.3	A203 A204 Q205 Q209 I229 F248 I296	A203-C207 PolarHBondContact O-N 3.26Å; A204-C207 WeakPolarHBondContact O-CB 3.07Å; A204-C207 PolarHBondContact O-N 3.03Å; Q205-C207 VanDerWaalsContact C-N 3.33Å; Q205-C207 PolarHBondContact O-N 3.05Å; C207-Q209 VanDerWaalsContact C-N 3.35Å; C207-I229 HydrophobicContact CB-CD1 4.12Å; C207-F248 HydrophobicContact CB-CE1 3.63Å; C207-F248 HydrophobicContact CB-CZ 4.18Å; C207-I296 WeakPolarHBondContact SG-CD1 3.44Å
208	R	84.4	Confident	76.2	Confident	47 Å²	47	46.8 Å²	46.8	18%	0.177	24%	0.242	C	C	.	.	H	α-helix	trans	-68.6	-35.3	-179.5	-68.2	-177	-56.9	-105.4	11.6	112.8	A204 Q205 I206 D247 N251 P467	A204-R208 WeakPolarHBondContact O-CG 3.29Å; A204-R208 PolarHBondContact O-N 3.47Å; Q205-R208 PolarHBondContact O-N 2.97Å; I206-R208 PolarHBondContact O-N 3.29Å; R208-D247 WeakPolarHBondContact CD-OD2 3.33Å; R208-D247 IonicContact CZ-OD1 2.99Å; R208-D247 IonicContact CZ-OD2 3.96Å; R208-D247 IonicContact NH1-OD1 3.48Å; R208-D247 PolarHBondContact NH1-OD1 2.76Å; R208-D247 IonicContact NH1-OD2 3.41Å; R208-D247 PolarHBondContact NH1-OD2 3.18Å; R208-N251 WeakPolarHBondContact CD-ND2 3.22Å; R208-N251 HydrophobicContact CG-CB 4.35Å; R208-P467 PolarHBondContact NH2-O 3.36Å
209	Q	85.3	Confident	73.9	Confident	16 Å²	16	49.8 Å²	49.8	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-104.3	-10	-168.5	-63.2	178	-6.3	0	0	113	T172 Q205 I206 C207 G211 E469 N470	T172-Q209 WeakPolarHBondContact O-CB 3.27Å; T172-Q209 PolarHBondContact O-OE1 2.86Å; Q205-Q209 HydrophobicContact CG-CG 4.4Å; Q205-Q209 VanDerWaalsContact NE2-OE1 3.13Å; Q205-Q209 WeakPolarHBondContact O-CB 3.3Å; Q205-Q209 WeakPolarHBondContact O-CG 3.49Å; Q205-Q209 PolarHBondContact O-N 3.2Å; I206-Q209 PolarHBondContact O-N 3.49Å; C207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-G211 PolarHBondContact O-N 3.49Å; Q209-G211 VanDerWaalsContact O-N 3.1Å; Q209-E469 PolarHBondContact NE2-O 3.46Å; Q209-E469 PolarHBondContact OE1-O 3.49Å; Q209-N470 HydrophobicContact CG-CB 4.13Å
210	A	80.6	Confident	71.3	Confident	16 Å²	16	55.9 Å²	55.9	13%	0.132	30%	0.298	C	S	.	.			trans	-57.6	115.3	179.5	0	0	0	0	0	110.4	Q171 I206 F227 L294	Q171-A210 WeakPolarHBondContact O-CA 3.42Å; I206-A210 WeakPolarHBondContact O-CA 3.41Å; I206-A210 WeakPolarHBondContact O-CB 3.3Å; I206-A210 PolarHBondContact O-N 3.05Å; A210-F227 HydrophobicContact CB-CE1 3.9Å; A210-F227 HydrophobicContact CB-CZ 3.91Å; A210-L294 HydrophobicContact CB-CD2 3.95Å
211	G	73.6	Confident	69.1	Low	23 Å²	23	59.4 Å²	59.4	24%	0.237	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.7	174.8	0	0	0	0	0	110.8	Q171 Q209	Q171-G211 PolarHBondContact N-O 2.74Å; Q171-G211 PolarHBondContact O-N 2.88Å; Q209-G211 PolarHBondContact O-N 3.49Å; Q209-G211 VanDerWaalsContact O-N 3.1Å
212	L	69.3	Low	67.1	Low	38 Å²	38	59.5 Å²	59.5	20%	0.199	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	145	167.6	-81	153.4	0	0	0	109.5	E168 K214 Y222	E168-L212 HydrophobicContact CB-CD2 4.35Å; L212-K214 PolarHBondContact O-N 3.49Å; L212-Y222 HydrophobicContact CB-CD1 4.33Å; L212-Y222 HydrophobicContact CB-CE1 4.15Å
213	V	62.7	Low	65.2	Low	7 Å²	7	61.8 Å²	61.8	4%	0.042	33%	0.33	C	S	.	.			trans	-59.1	115.2	169.3	178.3	0	0	0	0	107.8	M169 Q171 K215 T411 V473	M169-V213 HydrophobicContact CB-CG2 4Å; M169-V213 HydrophobicContact CG-CG2 4.02Å; M169-V213 HydrophobicContact SD-CG2 4.19Å; Q171-V213 HydrophobicContact CB-CG2 3.99Å; V213-K215 PolarHBondContact O-N 2.66Å; V213-T411 HydrophobicContact CG2-CG2 4.44Å; V213-V473 HydrophobicContact CG1-CG1 4.03Å; V213-V473 HydrophobicContact CG2-CG1 4.45Å
214	K	59.8	Low	63.4	Low	147 Å²	147	68.4 Å²	68.4	64%	0.639	36%	0.361	S	S	*	.			trans	-64.5	104.5	-176.2	-65.7	-172.7	178.9	-169.6	0	109.6	L212 E224	L212-K214 PolarHBondContact O-N 3.49Å; K214-E224 VanDerWaalsContact CE-OE1 3.24Å; K214-E224 WeakPolarHBondContact CE-OE1 3.33Å; K214-E224 IonicContact NZ-OE1 2.8Å; K214-E224 PolarHBondContact NZ-OE1 3.43Å
215	K	51.2	Low	61.6	Low	84 Å²	84	75.9 Å²	75.9	37%	0.365	40%	0.396	S	S	.	.			trans	-74.5	150.2	167.6	-66.4	-166.5	-172.9	-170.7	0	109.6	V213 K217 Y222 G409 M410	V213-K215 PolarHBondContact O-N 2.66Å; K215-K217 PolarHBondContact O-N 2.92Å; K215-Y222 VanDerWaalsContact CD-OH 3.28Å; K215-Y222 WeakPolarHBondContact CD-OH 3.41Å; K215-Y222 WeakPolarHBondContact CE-OH 3.32Å; K215-Y222 WeakPolarHBondContact CG-OH 3.49Å; K215-G409 WeakPolarHBondContact CE-O 3.36Å; K215-G409 PolarHBondContact NZ-O 2.87Å; K215-M410 PolarHBondContact NZ-SD 2.78Å; K215-M410 VanDerWaalsContact NZ-SD 3.39Å
216	S	38.5	Very low	60.6	Low	124 Å²	124	79.1 Å²	79.1	87%	0.867	41%	0.413	S	S	*	.	S	Bend	trans	-65	106.5	175.7	-50.8	0	0	0	0	111.2	D218	S216-D218 PolarHBondContact O-N 3.24Å
217	K	38.4	Very low	60.3	Low	197 Å²	197	81 Å²	81	86%	0.857	42%	0.422	S	S	*	.	S	Bend	trans	68.6	-12.3	145.2	-122.1	-176.2	179.1	-176.3	0	124.5	K215	K215-K217 PolarHBondContact O-N 2.92Å
218	D	37.3	Very low	60.4	Low	150 Å²	150	80.8 Å²	80.8	80%	0.802	42%	0.42	S	S	*	.			trans	-138.7	45.5	-171.5	-72.4	-55.4	0	0	0	116.6	S216	S216-D218 PolarHBondContact O-N 3.24Å
219	V	45.6	Very low	60.7	Low	76 Å²	76	79 Å²	79	46%	0.461	41%	0.414	S	S	.	.			trans	-130.6	118.2	170.9	-173.6	0	0	0	0	110.5	D221 Y222	V219-D221 HydrophobicContact CG1-CB 4.37Å; V219-D221 PolarHBondContact O-N 2.87Å; V219-Y222 HydrophobicContact CB-CD2 3.38Å; V219-Y222 HydrophobicContact CB-CE2 3.44Å; V219-Y222 VanDerWaalsContact CB-CE2 3.44Å; V219-Y222 HydrophobicContact CG1-CD2 3.57Å; V219-Y222 HydrophobicContact CG1-CE2 3.54Å; V219-Y222 HydrophobicContact CG2-CD2 4.35Å; V219-Y222 HydrophobicContact CG2-CE2 3.97Å; V219-Y222 PolarHBondContact O-N 3.36Å
220	V	40.9	Very low	61.2	Low	146 Å²	146	78.2 Å²	78.2	89%	0.885	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16	-172.5	-179.9	0	0	0	0	112.8
221	D	46.8	Very low	61.9	Low	95 Å²	95	77.5 Å²	77.5	51%	0.508	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2.6	179.6	-62.9	-30.7	0	0	0	114.8	V219 S223	V219-D221 HydrophobicContact CG1-CB 4.37Å; V219-D221 PolarHBondContact O-N 2.87Å; D221-S223 PolarHBondContact O-N 2.96Å
222	Y	51.6	Low	63	Low	75 Å²	75	76.4 Å²	76.4	29%	0.294	39%	0.393	S	S	.	.			trans	-94.1	38	-176.2	-79.4	-103	0	0	0	113.8	L212 K215 V219 E224	L212-Y222 HydrophobicContact CB-CD1 4.33Å; L212-Y222 HydrophobicContact CB-CE1 4.15Å; K215-Y222 VanDerWaalsContact CD-OH 3.28Å; K215-Y222 WeakPolarHBondContact CD-OH 3.41Å; K215-Y222 WeakPolarHBondContact CE-OH 3.32Å; K215-Y222 WeakPolarHBondContact CG-OH 3.49Å; V219-Y222 HydrophobicContact CB-CD2 3.38Å; V219-Y222 HydrophobicContact CB-CE2 3.44Å; V219-Y222 VanDerWaalsContact CB-CE2 3.44Å; V219-Y222 HydrophobicContact CG1-CD2 3.57Å; V219-Y222 HydrophobicContact CG1-CE2 3.54Å; V219-Y222 HydrophobicContact CG2-CD2 4.35Å; V219-Y222 HydrophobicContact CG2-CE2 3.97Å; V219-Y222 PolarHBondContact O-N 3.36Å; Y222-E224 PolarHBondContact O-N 3.11Å
223	S	52	Low	64.2	Low	48 Å²	48	74.6 Å²	74.6	34%	0.336	38%	0.384	S	S	.	.			trans	-76.2	118.9	168.4	-167.9	0	0	0	0	109.4	D221 E225 N226	D221-S223 PolarHBondContact O-N 2.96Å; S223-E225 PolarHBondContact O-N 2.88Å; S223-E225 VanDerWaalsContact O-N 3.07Å; S223-E225 VanDerWaalsContact OG-CB 3.31Å; S223-E225 WeakPolarHBondContact OG-CB 3.17Å; S223-E225 WeakPolarHBondContact OG-CG 3.46Å; S223-E225 PolarHBondContact OG-N 2.87Å; S223-N226 PolarHBondContact O-N 3.4Å; S223-N226 VanDerWaalsContact O-N 3.17Å
224	E	54.9	Low	65.8	Low	140 Å²	140	74.3 Å²	74.3	65%	0.654	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-55.6	-19.3	168.2	-81.6	-174.2	-175	0	0	111.5	K214 Y222 N226 F227	K214-E224 VanDerWaalsContact CE-OE1 3.24Å; K214-E224 WeakPolarHBondContact CE-OE1 3.33Å; K214-E224 IonicContact NZ-OE1 2.8Å; K214-E224 PolarHBondContact NZ-OE1 3.43Å; Y222-E224 PolarHBondContact O-N 3.11Å; E224-N226 PolarHBondContact O-N 3.5Å; E224-F227 PolarHBondContact O-N 3.39Å
225	E	53.9	Low	67.4	Low	158 Å²	158	67.9 Å²	67.9	74%	0.738	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-70.3	-13.3	179.6	-56.5	178.2	161.1	0	0	113.8	S223	S223-E225 PolarHBondContact O-N 2.88Å; S223-E225 VanDerWaalsContact O-N 3.07Å; S223-E225 VanDerWaalsContact OG-CB 3.31Å; S223-E225 WeakPolarHBondContact OG-CB 3.17Å; S223-E225 WeakPolarHBondContact OG-CG 3.46Å; S223-E225 PolarHBondContact OG-N 2.87Å
226	N	70	Confident	69.4	Low	68 Å²	68	64.4 Å²	64.4	36%	0.364	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-91.6	1.6	179.6	-76.8	-11.6	0	0	0	114	S223 E224 H292	S223-N226 PolarHBondContact O-N 3.4Å; S223-N226 VanDerWaalsContact O-N 3.17Å; E224-N226 PolarHBondContact O-N 3.5Å; N226-H292 VanDerWaalsContact O-CA 3.23Å; N226-H292 WeakPolarHBondContact O-CA 3.46Å; N226-H292 PolarHBondContact O-N 2.84Å
227	F	82.9	Confident	72	Confident	41 Å²	41	63.3 Å²	63.3	18%	0.18	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.3	179.4	-157	-99.9	0	0	0	111.7	A210 E224 I229 H292 L294	A210-F227 HydrophobicContact CB-CE1 3.9Å; A210-F227 HydrophobicContact CB-CZ 3.91Å; E224-F227 PolarHBondContact O-N 3.39Å; F227-I229 HydrophobicContact CD1-CG1 4.25Å; F227-I229 HydrophobicContact CE1-CG1 4.06Å; F227-H292 CarbonylContact C-O 3.58Å; F227-H292 WeakPolarHBondContact CA-O 3.43Å; F227-H292 WeakPolarHBondContact CD2-O 3.44Å; F227-L294 HydrophobicContact CE1-CB 3.79Å; F227-L294 HydrophobicContact CE1-CD2 4.14Å; F227-L294 HydrophobicContact CE2-CB 4.48Å; F227-L294 HydrophobicContact CZ-CB 3.55Å; F227-L294 HydrophobicContact CZ-CD2 4.08Å; F227-L294 HydrophobicContact CZ-CG 4.37Å
228	A	88.9	Confident	74.5	Confident	1 Å²	1	59 Å²	59	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.7	179.7	0	0	0	0	0	110.4	L128 N256 K291 H292 V293 L294	L128-A228 HydrophobicContact CD2-CB 4.06Å; A228-N256 WeakPolarHBondContact CA-O 3.26Å; A228-K291 HydrophobicContact CB-CD 4.38Å; A228-H292 PolarHBondContact N-O 3.34Å; A228-V293 HydrophobicContact CB-CG2 4.48Å; A228-V293 CarbonylContact O-C 3.6Å; A228-V293 WeakPolarHBondContact O-CA 3.42Å; A228-L294 PolarHBondContact O-N 2.91Å
229	I	91.2	Very high	77.1	Confident	9 Å²	9	59.5 Å²	59.5	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.3	-179.2	-60.2	171.3	0	0	0	108.2	C207 F227 N256 V257 C258 L294	C207-I229 HydrophobicContact CB-CD1 4.12Å; F227-I229 HydrophobicContact CD1-CG1 4.25Å; F227-I229 HydrophobicContact CE1-CG1 4.06Å; I229-N256 PolarHBondContact N-O 3.43Å; I229-V257 HydrophobicContact CB-CB 4.5Å; I229-V257 HydrophobicContact CB-CG1 4.41Å; I229-V257 HydrophobicContact CB-CG2 3.92Å; I229-V257 HydrophobicContact CD1-CG2 4.2Å; I229-V257 HydrophobicContact CG2-CG1 4.34Å; I229-V257 HydrophobicContact CG2-CG2 4.44Å; I229-V257 CarbonylContact O-C 3.39Å; I229-V257 VanDerWaalsContact O-CA 3.3Å; I229-V257 WeakPolarHBondContact O-CA 3.49Å; I229-C258 PolarHBondContact O-N 3.03Å; I229-L294 WeakPolarHBondContact CA-O 3.41Å
230	V	95.4	Very high	79.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.8	169.9	-178.7	0	0	0	0	107.7	C258 F260 A278 A282 L285 V293 L294 V295 I296	V230-C258 HydrophobicContact CG2-CB 4.46Å; V230-F260 HydrophobicContact CG1-CD2 4.23Å; V230-F260 HydrophobicContact CG1-CE2 4.12Å; V230-A278 HydrophobicContact CG1-CB 3.9Å; V230-A282 HydrophobicContact CB-CB 4.49Å; V230-A282 HydrophobicContact CG2-CB 4.16Å; V230-L285 HydrophobicContact CG2-CD1 4.12Å; V230-V293 HydrophobicContact CB-CG1 4.36Å; V230-V293 HydrophobicContact CG2-CG1 3.74Å; V230-L294 PolarHBondContact N-O 3.01Å; V230-V295 HydrophobicContact CB-CG2 4.37Å; V230-V295 CarbonylContact O-C 3.59Å; V230-V295 VanDerWaalsContact O-CA 3.29Å; V230-V295 WeakPolarHBondContact O-CA 3.29Å; V230-I296 PolarHBondContact O-N 3.44Å
231	F	95.1	Very high	81.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.9	-176.9	-173.4	-85.1	0	0	0	109.8	A233 F244 F248 C258 L259 F260 L261 I296 T298	F231-A233 HydrophobicContact CD1-CB 4.48Å; F231-A233 HydrophobicContact CE1-CB 3.88Å; F231-F244 HydrophobicContact CE1-CB 4.37Å; F231-F244 HydrophobicContact CE1-CD1 4.47Å; F231-F244 AromaticContact CE1-CD2 3.99Å; F231-F244 HydrophobicContact CE1-CD2 3.99Å; F231-F244 HydrophobicContact CE1-CE2 4.39Å; F231-F244 HydrophobicContact CE1-CG 4.03Å; F231-F244 AromaticContact CE2-CD1 3.76Å; F231-F244 HydrophobicContact CE2-CD1 3.76Å; F231-F244 HydrophobicContact CE2-CD2 4.4Å; F231-F244 AromaticContact CE2-CE1 3.64Å; F231-F244 HydrophobicContact CE2-CE1 3.64Å; F231-F244 HydrophobicContact CE2-CE2 4.31Å; F231-F244 HydrophobicContact CE2-CG 4.14Å; F231-F244 AromaticContact CE2-CZ 3.92Å; F231-F244 HydrophobicContact CE2-CZ 3.92Å; F231-F244 HydrophobicContact CZ-CB 4.34Å; F231-F244 AromaticContact CZ-CD1 3.66Å; F231-F244 HydrophobicContact CZ-CD1 3.66Å; F231-F244 AromaticContact CZ-CD2 3.5Å; F231-F244 HydrophobicContact CZ-CD2 3.5Å; F231-F244 VanDerWaalsContact CZ-CD2 3.5Å; F231-F244 AromaticContact CZ-CE1 3.69Å; F231-F244 HydrophobicContact CZ-CE1 3.69Å; F231-F244 AromaticContact CZ-CE2 3.54Å; F231-F244 HydrophobicContact CZ-CE2 3.54Å; F231-F244 AromaticContact CZ-CG 3.56Å; F231-F244 HydrophobicContact CZ-CG 3.56Å; F231-F244 AromaticContact CZ-CZ 3.62Å; F231-F244 HydrophobicContact CZ-CZ 3.62Å; F231-F248 HydrophobicContact CB-CE2 4.44Å; F231-F248 HydrophobicContact CD2-CE2 4.11Å; F231-F248 HydrophobicContact CD2-CZ 4.06Å; F231-F248 HydrophobicContact CE2-CZ 4.49Å; F231-F248 HydrophobicContact CG-CE2 4.14Å; F231-C258 PolarHBondContact N-O 2.88Å; F231-L259 HydrophobicContact CB-CD2 3.66Å; F231-L259 HydrophobicContact CD1-CD2 3.53Å; F231-L259 HydrophobicContact CE1-CD2 4.45Å; F231-L259 HydrophobicContact CG-CD2 3.83Å; F231-F260 PolarHBondContact O-N 3.39Å; F231-L261 HydrophobicContact CD1-CD2 4.44Å; F231-L261 HydrophobicContact CE1-CD2 4.45Å; F231-I296 HydrophobicContact CD2-CB 3.78Å; F231-I296 HydrophobicContact CD2-CG2 3.93Å; F231-I296 HydrophobicContact CE2-CB 4.13Å; F231-I296 HydrophobicContact CE2-CG2 3.73Å; F231-T298 HydrophobicContact CE1-CG2 3.98Å; F231-T298 HydrophobicContact CE2-CG2 4.23Å; F231-T298 HydrophobicContact CZ-CG2 3.49Å; F231-T298 VanDerWaalsContact CZ-CG2 3.49Å
232	A	96.7	Very high	83.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117	177.5	0	0	0	0	0	110.2	F260 T274 A278 I296 L297 T298	A232-F260 CarbonylContact C-O 3.52Å; A232-F260 WeakPolarHBondContact CA-O 3.38Å; A232-F260 HydrophobicContact CB-CB 4.45Å; A232-T274 HydrophobicContact CB-CG2 4.28Å; A232-A278 HydrophobicContact CB-CB 3.65Å; A232-I296 PolarHBondContact N-O 3.36Å; A232-L297 HydrophobicContact CB-CD2 3.61Å; A232-T298 PolarHBondContact O-N 2.85Å; A232-T298 VanDerWaalsContact O-O 3.08Å
233	A	95.2	Very high	85.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.2	174.9	0	0	0	0	0	110.2	F231 V236 F260 L261 N262 T298	F231-A233 HydrophobicContact CD1-CB 4.48Å; F231-A233 HydrophobicContact CE1-CB 3.88Å; A233-V236 HydrophobicContact CB-CB 4.44Å; A233-V236 HydrophobicContact CB-CG1 3.96Å; A233-V236 HydrophobicContact CB-CG2 3.59Å; A233-F260 PolarHBondContact N-O 2.97Å; A233-L261 HydrophobicContact CB-CD2 3.57Å; A233-N262 WeakPolarHBondContact O-CA 3.32Å; A233-N262 WeakPolarHBondContact O-CB 3.47Å; A233-N262 PolarHBondContact O-N 3.2Å; A233-T298 CarbonylContact C-O 3.55Å; A233-T298 VanDerWaalsContact C-O 3.25Å; A233-T298 WeakPolarHBondContact CA-O 3.43Å; A233-T298 HydrophobicContact CB-CG2 4.41Å
234	M	95.8	Very high	87.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	115.7	-174.8	-63.6	167.1	-70.9	0	0	108.9	V236 N262 R271 T274 P275 L297 T298 D299 M300 S302 Y303	M234-V236 PolarHBondContact O-N 3.34Å; M234-N262 CarbonylContact C-O 3.53Å; M234-R271 HydrophobicContact CB-CB 4.44Å; M234-R271 HydrophobicContact CB-CG 4.39Å; M234-T274 HydrophobicContact CG-CG2 3.77Å; M234-P275 HydrophobicContact SD-CB 4.05Å; M234-P275 HydrophobicContact SD-CG 3.83Å; M234-L297 HydrophobicContact CE-CB 4.15Å; M234-T298 PolarHBondContact N-O 3.22Å; M234-D299 PolarHBondContact O-N 3.33Å; M234-M300 HydrophobicContact CE-SD 3.8Å; M234-S302 WeakPolarHBondContact O-CB 3.39Å; M234-Y303 HydrophobicContact SD-CD2 4.17Å
235	G	93.5	Very high	89.1	Confident	13 Å²	13	48.7 Å²	48.7	13%	0.134	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.8	23.4	179	0	0	0	0	0	114.4	N262	G235-N262 PolarHBondContact N-O 3.03Å; G235-N262 PolarHBondContact N-OD1 3.45Å
236	V	92.9	Very high	90.8	Very high	11 Å²	11	43 Å²	43	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	152.7	-177.8	-62.6	0	0	0	0	112.1	A233 M234 T240 A241 N262 L263 A264 T298	A233-V236 HydrophobicContact CB-CB 4.44Å; A233-V236 HydrophobicContact CB-CG1 3.96Å; A233-V236 HydrophobicContact CB-CG2 3.59Å; M234-V236 PolarHBondContact O-N 3.34Å; V236-T240 HydrophobicContact CB-CG2 4.25Å; V236-T240 HydrophobicContact CG1-CG2 4.4Å; V236-A241 HydrophobicContact CG2-CB 4.13Å; V236-N262 PolarHBondContact N-O 3.35Å; V236-L263 HydrophobicContact CG2-CD2 4.41Å; V236-L263 CarbonylContact O-C 3.6Å; V236-L263 WeakPolarHBondContact O-CA 3.4Å; V236-A264 PolarHBondContact O-N 3.46Å; V236-T298 HydrophobicContact CG1-CG2 4.42Å
237	N	93	Very high	91.7	Very high	101 Å²	101	40 Å²	40	54%	0.54	19%	0.193	S	C	.	.			trans	-68.5	155	173.3	-68.8	-15.1	0	0	0	111.1	E239 T240 A241	N237-E239 PolarHBondContact O-N 3Å; N237-T240 WeakPolarHBondContact O-CB 3.24Å; N237-T240 PolarHBondContact O-N 3.44Å; N237-T240 VanDerWaalsContact O-N 3.13Å; N237-A241 PolarHBondContact O-N 2.94Å
238	M	90.8	Very high	91.9	Very high	107 Å²	107	38.1 Å²	38.1	53%	0.527	19%	0.185	S	C	.	.	H	α-helix	trans	-58	-35.2	177	-173.2	64.7	71.8	0	0	112.5	R242 L263	M238-R242 WeakPolarHBondContact O-CB 3.26Å; M238-R242 PolarHBondContact O-N 3.47Å; M238-L263 HydrophobicContact CE-CD1 3.51Å; M238-L263 HydrophobicContact SD-CD1 4.19Å; M238-L263 HydrophobicContact SD-CD2 4.36Å
239	E	91.4	Very high	91.8	Very high	160 Å²	160	43.1 Å²	43.1	75%	0.748	21%	0.208	S	C	*	.	H	α-helix	trans	-64.6	-45.2	176.5	-68.6	176.2	179.4	0	0	111.7	N237 R242 F243	N237-E239 PolarHBondContact O-N 3Å; E239-R242 PolarHBondContact O-N 3.28Å; E239-F243 WeakPolarHBondContact O-CB 3.42Å; E239-F243 PolarHBondContact O-N 2.88Å
240	T	90.6	Very high	91.5	Very high	27 Å²	27	49.7 Å²	49.7	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-44.9	176.1	-52.9	0	0	0	0	111.4	V236 N237 R242 F243 F244	V236-T240 HydrophobicContact CB-CG2 4.25Å; V236-T240 HydrophobicContact CG1-CG2 4.4Å; N237-T240 WeakPolarHBondContact O-CB 3.24Å; N237-T240 PolarHBondContact O-N 3.44Å; N237-T240 VanDerWaalsContact O-N 3.13Å; T240-R242 VanDerWaalsContact C-N 3.32Å; T240-R242 PolarHBondContact O-N 3.07Å; T240-F243 WeakPolarHBondContact O-CB 3.34Å; T240-F243 PolarHBondContact O-N 3.37Å; T240-F244 HydrophobicContact CG2-CD2 3.89Å; T240-F244 HydrophobicContact CG2-CE2 3.6Å; T240-F244 VanDerWaalsContact O-CD2 3.23Å; T240-F244 WeakPolarHBondContact O-CD2 3.16Å; T240-F244 PolarHBondContact O-N 3.41Å; T240-F244 VanDerWaalsContact O-N 3.08Å
241	A	90.4	Very high	90.7	Very high	6 Å²	6	53 Å²	53	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-40.9	176.3	0	0	0	0	0	111.9	V236 N237 K245 L263	V236-A241 HydrophobicContact CG2-CB 4.13Å; N237-A241 PolarHBondContact O-N 2.94Å; A241-K245 WeakPolarHBondContact O-CB 3.29Å; A241-K245 PolarHBondContact O-N 3.01Å; A241-K245 VanDerWaalsContact O-N 3.11Å; A241-L263 HydrophobicContact CB-CD2 3.49Å; A241-L263 VanDerWaalsContact CB-CD2 3.49Å
242	R	91.5	Very high	89.4	Confident	176 Å²	176	55.7 Å²	55.7	66%	0.664	28%	0.284	S	S	*	.	H	α-helix	trans	-64.8	-43.6	174.7	-176	-179.7	-70.7	168	-1.8	111.4	M238 E239 T240 K245 S246	M238-R242 WeakPolarHBondContact O-CB 3.26Å; M238-R242 PolarHBondContact O-N 3.47Å; E239-R242 PolarHBondContact O-N 3.28Å; T240-R242 VanDerWaalsContact C-N 3.32Å; T240-R242 PolarHBondContact O-N 3.07Å; R242-K245 PolarHBondContact O-N 3.33Å; R242-S246 PolarHBondContact O-N 3.16Å; R242-S246 PolarHBondContact O-OG 3.28Å
243	F	92.3	Very high	88.3	Confident	62 Å²	62	57.4 Å²	57.4	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-56.1	-52	178.6	167.4	-99.9	0	0	0	111.7	N200 E201 A204 E239 T240 K245 S246 D247	N200-F243 HydrophobicContact CB-CD1 4.34Å; N200-F243 HydrophobicContact CB-CE1 4.17Å; E201-F243 HydrophobicContact CB-CZ 4.44Å; E201-F243 HydrophobicContact CG-CE2 4.44Å; E201-F243 HydrophobicContact CG-CZ 3.96Å; A204-F243 HydrophobicContact CB-CE1 3.83Å; A204-F243 HydrophobicContact CB-CZ 3.97Å; E239-F243 WeakPolarHBondContact O-CB 3.42Å; E239-F243 PolarHBondContact O-N 2.88Å; T240-F243 WeakPolarHBondContact O-CB 3.34Å; T240-F243 PolarHBondContact O-N 3.37Å; F243-K245 VanDerWaalsContact C-N 3.34Å; F243-K245 PolarHBondContact O-N 3.21Å; F243-S246 PolarHBondContact O-N 3.46Å; F243-S246 PolarHBondContact O-OG 3.46Å; F243-D247 VanDerWaalsContact O-CB 3.26Å; F243-D247 WeakPolarHBondContact O-CB 3.43Å; F243-D247 PolarHBondContact O-N 3.09Å
244	F	90.3	Very high	87.6	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-40.6	177.8	-76.4	-67.3	0	0	0	112.3	N200 A203 A204 F231 T240 D247 F248	N200-F244 HydrophobicContact CB-CE2 3.84Å; N200-F244 HydrophobicContact CB-CZ 3.59Å; N200-F244 WeakPolarHBondContact O-CE1 3.36Å; A203-F244 HydrophobicContact CB-CE1 4.31Å; A203-F244 HydrophobicContact CB-CZ 4.39Å; A204-F244 HydrophobicContact CB-CD1 4.34Å; A204-F244 HydrophobicContact CB-CE1 4.07Å; F231-F244 HydrophobicContact CE1-CB 4.37Å; F231-F244 HydrophobicContact CE1-CD1 4.47Å; F231-F244 AromaticContact CE1-CD2 3.99Å; F231-F244 HydrophobicContact CE1-CD2 3.99Å; F231-F244 HydrophobicContact CE1-CE2 4.39Å; F231-F244 HydrophobicContact CE1-CG 4.03Å; F231-F244 AromaticContact CE2-CD1 3.76Å; F231-F244 HydrophobicContact CE2-CD1 3.76Å; F231-F244 HydrophobicContact CE2-CD2 4.4Å; F231-F244 AromaticContact CE2-CE1 3.64Å; F231-F244 HydrophobicContact CE2-CE1 3.64Å; F231-F244 HydrophobicContact CE2-CE2 4.31Å; F231-F244 HydrophobicContact CE2-CG 4.14Å; F231-F244 AromaticContact CE2-CZ 3.92Å; F231-F244 HydrophobicContact CE2-CZ 3.92Å; F231-F244 HydrophobicContact CZ-CB 4.34Å; F231-F244 AromaticContact CZ-CD1 3.66Å; F231-F244 HydrophobicContact CZ-CD1 3.66Å; F231-F244 AromaticContact CZ-CD2 3.5Å; F231-F244 HydrophobicContact CZ-CD2 3.5Å; F231-F244 VanDerWaalsContact CZ-CD2 3.5Å; F231-F244 AromaticContact CZ-CE1 3.69Å; F231-F244 HydrophobicContact CZ-CE1 3.69Å; F231-F244 AromaticContact CZ-CE2 3.54Å; F231-F244 HydrophobicContact CZ-CE2 3.54Å; F231-F244 AromaticContact CZ-CG 3.56Å; F231-F244 HydrophobicContact CZ-CG 3.56Å; F231-F244 AromaticContact CZ-CZ 3.62Å; F231-F244 HydrophobicContact CZ-CZ 3.62Å; T240-F244 HydrophobicContact CG2-CD2 3.89Å; T240-F244 HydrophobicContact CG2-CE2 3.6Å; T240-F244 VanDerWaalsContact O-CD2 3.23Å; T240-F244 WeakPolarHBondContact O-CD2 3.16Å; T240-F244 PolarHBondContact O-N 3.41Å; T240-F244 VanDerWaalsContact O-N 3.08Å; F244-D247 PolarHBondContact O-N 2.67Å; F244-F248 HydrophobicContact CB-CD2 4.38Å; F244-F248 HydrophobicContact CB-CE2 4Å; F244-F248 HydrophobicContact CD1-CE2 4.13Å; F244-F248 HydrophobicContact CD1-CZ 4.1Å; F244-F248 HydrophobicContact CG-CE2 4.49Å; F244-F248 WeakPolarHBondContact O-CD2 3.38Å; F244-F248 VanDerWaalsContact O-CG 3.3Å; F244-F248 WeakPolarHBondContact O-CG 3.24Å; F244-F248 PolarHBondContact O-N 3.35Å
245	K	89.1	Confident	87.1	Confident	80 Å²	80	64.7 Å²	64.7	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-49.2	178.6	-176.6	172.8	176.1	173.2	0	112.1	A241 R242 F243 D247 F248 E249	A241-K245 WeakPolarHBondContact O-CB 3.29Å; A241-K245 PolarHBondContact O-N 3.01Å; A241-K245 VanDerWaalsContact O-N 3.11Å; R242-K245 PolarHBondContact O-N 3.33Å; F243-K245 VanDerWaalsContact C-N 3.34Å; F243-K245 PolarHBondContact O-N 3.21Å; K245-D247 VanDerWaalsContact C-N 3.31Å; K245-D247 PolarHBondContact O-N 3.07Å; K245-F248 PolarHBondContact O-N 3.43Å; K245-E249 WeakPolarHBondContact CE-OE1 3.38Å; K245-E249 IonicContact NZ-OE1 3.58Å; K245-E249 WeakPolarHBondContact O-CB 3.28Å; K245-E249 VanDerWaalsContact O-CG 3.29Å; K245-E249 WeakPolarHBondContact O-CG 3.04Å; K245-E249 PolarHBondContact O-N 3.1Å
246	S	90.4	Very high	86.8	Confident	39 Å²	39	67.3 Å²	67.3	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-39.4	177.9	54.3	0	0	0	0	111.4	R242 F243 E249 E250	R242-S246 PolarHBondContact O-N 3.16Å; R242-S246 PolarHBondContact O-OG 3.28Å; F243-S246 PolarHBondContact O-N 3.46Å; F243-S246 PolarHBondContact O-OG 3.46Å; S246-E249 PolarHBondContact O-N 3.28Å; S246-E250 WeakPolarHBondContact O-CB 3.31Å; S246-E250 VanDerWaalsContact O-CG 3.27Å; S246-E250 WeakPolarHBondContact O-CG 3.39Å; S246-E250 PolarHBondContact O-N 2.92Å
247	D	89.4	Confident	86.6	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.027	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-46.3	178.1	-165.9	74.9	0	0	0	111.3	R208 F243 F244 K245 E249 E250 N251	R208-D247 WeakPolarHBondContact CD-OD2 3.33Å; R208-D247 IonicContact CZ-OD1 2.99Å; R208-D247 IonicContact CZ-OD2 3.96Å; R208-D247 IonicContact NH1-OD1 3.48Å; R208-D247 PolarHBondContact NH1-OD1 2.76Å; R208-D247 IonicContact NH1-OD2 3.41Å; R208-D247 PolarHBondContact NH1-OD2 3.18Å; F243-D247 VanDerWaalsContact O-CB 3.26Å; F243-D247 WeakPolarHBondContact O-CB 3.43Å; F243-D247 PolarHBondContact O-N 3.09Å; F244-D247 PolarHBondContact O-N 2.67Å; K245-D247 VanDerWaalsContact C-N 3.31Å; K245-D247 PolarHBondContact O-N 3.07Å; D247-E249 VanDerWaalsContact C-N 3.34Å; D247-E249 PolarHBondContact O-N 3.04Å; D247-E250 PolarHBondContact O-N 3.21Å; D247-N251 PolarHBondContact O-N 3.49Å; D247-N251 VanDerWaalsContact O-N 3.16Å; D247-N251 PolarHBondContact O-ND2 3.28Å; D247-N251 PolarHBondContact OD1-ND2 3.02Å; D247-N251 PolarHBondContact OD2-ND2 2.69Å
248	F	86.1	Confident	86.7	Confident	1 Å²	1	62 Å²	62	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-31.8	178	-62.9	-41.5	0	0	0	113.5	C207 F231 F244 K245 S253 M254 V257 L259	C207-F248 HydrophobicContact CB-CE1 3.63Å; C207-F248 HydrophobicContact CB-CZ 4.18Å; F231-F248 HydrophobicContact CB-CE2 4.44Å; F231-F248 HydrophobicContact CD2-CE2 4.11Å; F231-F248 HydrophobicContact CD2-CZ 4.06Å; F231-F248 HydrophobicContact CE2-CZ 4.49Å; F231-F248 HydrophobicContact CG-CE2 4.14Å; F244-F248 HydrophobicContact CB-CD2 4.38Å; F244-F248 HydrophobicContact CB-CE2 4Å; F244-F248 HydrophobicContact CD1-CE2 4.13Å; F244-F248 HydrophobicContact CD1-CZ 4.1Å; F244-F248 HydrophobicContact CG-CE2 4.49Å; F244-F248 WeakPolarHBondContact O-CD2 3.38Å; F244-F248 VanDerWaalsContact O-CG 3.3Å; F244-F248 WeakPolarHBondContact O-CG 3.24Å; F244-F248 PolarHBondContact O-N 3.35Å; K245-F248 PolarHBondContact O-N 3.43Å; F248-S253 PolarHBondContact O-N 3.24Å; F248-M254 HydrophobicContact CB-SD 4.11Å; F248-M254 PolarHBondContact O-N 3.2Å; F248-V257 HydrophobicContact CD1-CG2 4.45Å; F248-V257 HydrophobicContact CD2-CG1 4.23Å; F248-V257 HydrophobicContact CE2-CG1 4.46Å; F248-V257 HydrophobicContact CG-CG1 4.49Å; F248-V257 HydrophobicContact CG-CG2 4.49Å; F248-L259 HydrophobicContact CD2-CD1 4.17Å; F248-L259 HydrophobicContact CD2-CD2 3.87Å; F248-L259 HydrophobicContact CD2-CG 4.45Å; F248-L259 HydrophobicContact CE2-CD2 3.81Å
249	E	86.3	Confident	86.9	Confident	107 Å²	107	57 Å²	57	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-70	-44.1	174.2	-74.6	174.5	177.9	0	0	112.1	K245 S246 D247 G252 M254	K245-E249 WeakPolarHBondContact CE-OE1 3.38Å; K245-E249 IonicContact NZ-OE1 3.58Å; K245-E249 WeakPolarHBondContact O-CB 3.28Å; K245-E249 VanDerWaalsContact O-CG 3.29Å; K245-E249 WeakPolarHBondContact O-CG 3.04Å; K245-E249 PolarHBondContact O-N 3.1Å; S246-E249 PolarHBondContact O-N 3.28Å; D247-E249 VanDerWaalsContact C-N 3.34Å; D247-E249 PolarHBondContact O-N 3.04Å; E249-G252 PolarHBondContact O-N 2.94Å; E249-M254 HydrophobicContact CG-SD 4.42Å
250	E	86.1	Confident	87.1	Confident	147 Å²	147	49.4 Å²	49.4	69%	0.687	26%	0.257	S	S	*	.	H	α-helix	trans	-69.1	-34.2	-177.7	-75.8	176.3	-166.1	0	0	113	S246 D247 G252	S246-E250 WeakPolarHBondContact O-CB 3.31Å; S246-E250 VanDerWaalsContact O-CG 3.27Å; S246-E250 WeakPolarHBondContact O-CG 3.39Å; S246-E250 PolarHBondContact O-N 2.92Å; D247-E250 PolarHBondContact O-N 3.21Å; E250-G252 VanDerWaalsContact C-N 3.3Å; E250-G252 PolarHBondContact O-N 2.92Å
251	N	77.4	Confident	87.3	Confident	68 Å²	68	48.7 Å²	48.7	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.7	-178	-65.5	-67.4	0	0	0	113.6	R208 D247 S253	R208-N251 WeakPolarHBondContact CD-ND2 3.22Å; R208-N251 HydrophobicContact CG-CB 4.35Å; D247-N251 PolarHBondContact O-N 3.49Å; D247-N251 VanDerWaalsContact O-N 3.16Å; D247-N251 PolarHBondContact O-ND2 3.28Å; D247-N251 PolarHBondContact OD1-ND2 3.02Å; D247-N251 PolarHBondContact OD2-ND2 2.69Å; N251-S253 PolarHBondContact O-N 3.41Å; N251-S253 VanDerWaalsContact O-N 3.16Å
252	G	68.3	Low	87.6	Confident	57 Å²	57	48.4 Å²	48.4	59%	0.588	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	10.1	-179.5	0	0	0	0	0	114.2	E249 E250 M254	E249-G252 PolarHBondContact O-N 2.94Å; E250-G252 VanDerWaalsContact C-N 3.3Å; E250-G252 PolarHBondContact O-N 2.92Å; G252-M254 VanDerWaalsContact C-N 3.27Å
253	S	73.1	Confident	87.7	Confident	36 Å²	36	41.3 Å²	41.3	25%	0.252	22%	0.224	S	C	.	.			trans	-81.5	-7.7	178.2	-53.3	0	0	0	0	112.9	F248 N251 D255 N256 V257	F248-S253 PolarHBondContact O-N 3.24Å; N251-S253 PolarHBondContact O-N 3.41Å; N251-S253 VanDerWaalsContact O-N 3.16Å; S253-D255 PolarHBondContact O-N 3.36Å; S253-N256 PolarHBondContact O-N 3.08Å; S253-N256 VanDerWaalsContact O-N 3.08Å; S253-V257 WeakPolarHBondContact O-CG2 3.37Å; S253-V257 PolarHBondContact O-N 3.32Å
254	M	81.9	Confident	87.7	Confident	29 Å²	29	40.7 Å²	40.7	14%	0.143	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-52.7	-40.5	-175.2	-165.5	68.9	177.4	0	0	112.6	G129 V131 F248 E249 G252 N256 V257 L259	G129-M254 WeakPolarHBondContact CA-O 3.35Å; G129-M254 PolarHBondContact N-O 2.98Å; V131-M254 HydrophobicContact CG2-CE 3.41Å; V131-M254 VanDerWaalsContact CG2-CE 3.41Å; F248-M254 HydrophobicContact CB-SD 4.11Å; F248-M254 PolarHBondContact O-N 3.2Å; E249-M254 HydrophobicContact CG-SD 4.42Å; G252-M254 VanDerWaalsContact C-N 3.27Å; M254-N256 PolarHBondContact O-N 3.43Å; M254-N256 VanDerWaalsContact O-N 3.08Å; M254-V257 PolarHBondContact O-N 3.18Å; M254-L259 HydrophobicContact CE-CD1 3.7Å; M254-L259 HydrophobicContact SD-CD1 3.89Å
255	D	85.1	Confident	87.7	Confident	125 Å²	125	46.5 Å²	46.5	67%	0.668	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-56.8	-29.2	-178.1	-65.5	-12.6	0	0	0	113.2	L128 G129 S253	L128-D255 CarbonylContact C-O 3.49Å; G129-D255 PolarHBondContact N-O 3.08Å; S253-D255 PolarHBondContact O-N 3.36Å
256	N	86.1	Confident	87.8	Confident	69 Å²	69	44.7 Å²	44.7	37%	0.369	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-105.3	8.7	-179.8	-68.5	-7.7	0	0	0	113.2	A228 I229 S253 M254	A228-N256 WeakPolarHBondContact CA-O 3.26Å; I229-N256 PolarHBondContact N-O 3.43Å; S253-N256 PolarHBondContact O-N 3.08Å; S253-N256 VanDerWaalsContact O-N 3.08Å; M254-N256 PolarHBondContact O-N 3.43Å; M254-N256 VanDerWaalsContact O-N 3.08Å
257	V	90	Very high	87.8	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129	-177.3	-178.7	0	0	0	0	110	G129 I229 F248 S253 M254 L259	G129-V257 WeakPolarHBondContact CA-O 3.05Å; G129-V257 PolarHBondContact N-O 3.16Å; I229-V257 HydrophobicContact CB-CB 4.5Å; I229-V257 HydrophobicContact CB-CG1 4.41Å; I229-V257 HydrophobicContact CB-CG2 3.92Å; I229-V257 HydrophobicContact CD1-CG2 4.2Å; I229-V257 HydrophobicContact CG2-CG1 4.34Å; I229-V257 HydrophobicContact CG2-CG2 4.44Å; I229-V257 CarbonylContact O-C 3.39Å; I229-V257 VanDerWaalsContact O-CA 3.3Å; I229-V257 WeakPolarHBondContact O-CA 3.49Å; F248-V257 HydrophobicContact CD1-CG2 4.45Å; F248-V257 HydrophobicContact CD2-CG1 4.23Å; F248-V257 HydrophobicContact CE2-CG1 4.46Å; F248-V257 HydrophobicContact CG-CG1 4.49Å; F248-V257 HydrophobicContact CG-CG2 4.49Å; S253-V257 WeakPolarHBondContact O-CG2 3.37Å; S253-V257 PolarHBondContact O-N 3.32Å; M254-V257 PolarHBondContact O-N 3.18Å; V257-L259 HydrophobicContact CG1-CD1 4.34Å; V257-L259 HydrophobicContact CG1-CD2 4.3Å; V257-L259 HydrophobicContact CG1-CG 3.86Å
258	C	94	Very high	87.8	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.3	166.8	178.3	0	0	0	0	109.3	L128 I229 V230 F231 F260	L128-C258 HydrophobicContact CD2-CB 4.42Å; I229-C258 PolarHBondContact O-N 3.03Å; V230-C258 HydrophobicContact CG2-CB 4.46Å; F231-C258 PolarHBondContact N-O 2.88Å; C258-F260 WeakPolarHBondContact SG-CE2 3.38Å
259	L	94.7	Very high	87.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	-176.5	-76	155.9	0	0	0	111.2	R130 V131 F132 F231 F248 M254 V257 L261	R130-L259 PolarHBondContact O-N 3.16Å; R130-L259 VanDerWaalsContact O-N 3.13Å; V131-L259 HydrophobicContact CB-CB 4.35Å; V131-L259 HydrophobicContact CG1-CB 3.87Å; V131-L259 HydrophobicContact CG2-CB 4.24Å; V131-L259 HydrophobicContact CG2-CD1 3.98Å; F132-L259 PolarHBondContact N-O 2.82Å; F231-L259 HydrophobicContact CB-CD2 3.66Å; F231-L259 HydrophobicContact CD1-CD2 3.53Å; F231-L259 HydrophobicContact CE1-CD2 4.45Å; F231-L259 HydrophobicContact CG-CD2 3.83Å; F248-L259 HydrophobicContact CD2-CD1 4.17Å; F248-L259 HydrophobicContact CD2-CD2 3.87Å; F248-L259 HydrophobicContact CD2-CG 4.45Å; F248-L259 HydrophobicContact CE2-CD2 3.81Å; M254-L259 HydrophobicContact CE-CD1 3.7Å; M254-L259 HydrophobicContact SD-CD1 3.89Å; V257-L259 HydrophobicContact CG1-CD1 4.34Å; V257-L259 HydrophobicContact CG1-CD2 4.3Å; V257-L259 HydrophobicContact CG1-CG 3.86Å; L259-L261 HydrophobicContact CB-CG 4.5Å; L259-L261 HydrophobicContact CD2-CD2 4.32Å
260	F	96.2	Very high	88.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.6	165.2	-65.3	-85.2	0	0	0	108.6	M127 F132 V230 F231 A232 A233 C258 T274 L277 A278 T281	M127-F260 HydrophobicContact CE-CE1 4.3Å; M127-F260 HydrophobicContact CE-CZ 3.74Å; F132-F260 HydrophobicContact CB-CD1 3.71Å; F132-F260 HydrophobicContact CB-CE1 3.88Å; F132-F260 HydrophobicContact CD2-CD1 4.36Å; F132-F260 AromaticContact CD2-CE1 3.92Å; F132-F260 HydrophobicContact CD2-CE1 3.92Å; F132-F260 HydrophobicContact CD2-CZ 4.16Å; F132-F260 HydrophobicContact CG-CD1 4.38Å; F132-F260 HydrophobicContact CG-CE1 4.08Å; F132-F260 WeakPolarHBondContact O-CA 3.43Å; V230-F260 HydrophobicContact CG1-CD2 4.23Å; V230-F260 HydrophobicContact CG1-CE2 4.12Å; F231-F260 PolarHBondContact O-N 3.39Å; A232-F260 CarbonylContact C-O 3.52Å; A232-F260 WeakPolarHBondContact CA-O 3.38Å; A232-F260 HydrophobicContact CB-CB 4.45Å; A233-F260 PolarHBondContact N-O 2.97Å; C258-F260 WeakPolarHBondContact SG-CE2 3.38Å; F260-T274 HydrophobicContact CB-CG2 4.23Å; F260-L277 HydrophobicContact CD1-CB 4.43Å; F260-L277 HydrophobicContact CE1-CB 4.19Å; F260-A278 HydrophobicContact CD2-CB 3.85Å; F260-A278 HydrophobicContact CE2-CB 4.22Å; F260-T281 WeakPolarHBondContact CZ-OG1 3.35Å
261	L	95.2	Very high	88.6	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.2	-177.1	-58.6	-179.6	0	0	0	110.3	V131 F132 N133 G134 I139 F231 A233 L259	V131-L261 HydrophobicContact CG1-CD1 3.74Å; V131-L261 HydrophobicContact CG1-CG 4.15Å; F132-L261 PolarHBondContact O-N 3.29Å; N133-L261 CarbonylContact C-O 3.55Å; N133-L261 VanDerWaalsContact CA-O 3.24Å; N133-L261 WeakPolarHBondContact CA-O 3.23Å; G134-L261 PolarHBondContact N-O 3.4Å; I139-L261 HydrophobicContact CD1-CB 4.32Å; I139-L261 HydrophobicContact CD1-CD1 4.3Å; F231-L261 HydrophobicContact CD1-CD2 4.44Å; F231-L261 HydrophobicContact CE1-CD2 4.45Å; A233-L261 HydrophobicContact CB-CD2 3.57Å; L259-L261 HydrophobicContact CB-CG 4.5Å; L259-L261 HydrophobicContact CD2-CD2 4.32Å
262	N	95.3	Very high	89.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.4	163.9	175.7	-91.1	0	0	0	108.4	A233 M234 G235 V236 D266 E270 R271	A233-N262 WeakPolarHBondContact O-CA 3.32Å; A233-N262 WeakPolarHBondContact O-CB 3.47Å; A233-N262 PolarHBondContact O-N 3.2Å; M234-N262 CarbonylContact C-O 3.53Å; G235-N262 PolarHBondContact N-O 3.03Å; G235-N262 PolarHBondContact N-OD1 3.45Å; V236-N262 PolarHBondContact N-O 3.35Å; N262-D266 WeakPolarHBondContact ND2-CB 3.43Å; N262-E270 WeakPolarHBondContact ND2-CB 3.19Å; N262-E270 PolarHBondContact ND2-OE2 3.09Å; N262-R271 WeakPolarHBondContact OD1-CG 3.44Å; N262-R271 PolarHBondContact OD1-NE 3.48Å
263	L	94.4	Very high	90.5	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	164.1	-177.4	-61.7	171.4	0	0	0	111.1	V236 M238 A241 N265 D266	V236-L263 HydrophobicContact CG2-CD2 4.41Å; V236-L263 CarbonylContact O-C 3.6Å; V236-L263 WeakPolarHBondContact O-CA 3.4Å; M238-L263 HydrophobicContact CE-CD1 3.51Å; M238-L263 HydrophobicContact SD-CD1 4.19Å; M238-L263 HydrophobicContact SD-CD2 4.36Å; A241-L263 HydrophobicContact CB-CD2 3.49Å; A241-L263 VanDerWaalsContact CB-CD2 3.49Å; L263-N265 WeakPolarHBondContact CB-OD1 3.45Å; L263-N265 PolarHBondContact O-N 3.49Å; L263-D266 WeakPolarHBondContact CB-OD2 3.22Å; L263-D266 PolarHBondContact N-OD2 2.9Å; L263-D266 WeakPolarHBondContact O-CB 3.33Å; L263-D266 PolarHBondContact O-N 2.94Å
264	A	91.8	Very high	91.6	Very high	49 Å²	49	29.5 Å²	29.5	41%	0.405	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27	178	0	0	0	0	0	113.9	V236 R271	V236-A264 PolarHBondContact O-N 3.46Å; A264-R271 PolarHBondContact O-NH2 3.35Å
265	N	91.2	Very high	92.4	Very high	124 Å²	124	28.1 Å²	28.1	66%	0.663	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-14	175.3	64.8	-42.7	0	0	0	113.5	L263	L263-N265 WeakPolarHBondContact CB-OD1 3.45Å; L263-N265 PolarHBondContact O-N 3.49Å
266	D	91.5	Very high	92.9	Very high	41 Å²	41	22.8 Å²	22.8	22%	0.219	13%	0.128	C	C	.	.	S	Bend	trans	-75.7	154.5	175.6	-65.3	-29.8	0	0	0	110.3	N262 L263	N262-D266 WeakPolarHBondContact ND2-CB 3.43Å; L263-D266 WeakPolarHBondContact CB-OD2 3.22Å; L263-D266 PolarHBondContact N-OD2 2.9Å; L263-D266 WeakPolarHBondContact O-CB 3.33Å; L263-D266 PolarHBondContact O-N 2.94Å
267	P	90.4	Very high	93.4	Very high	40 Å²	40	19.9 Å²	19.9	26%	0.26	11%	0.113	S	C	.	.			trans	-55.4	140.3	-178.6	-22.8	30.7	0	0	0	113.2	F99 I269 E270	F99-P267 WeakPolarHBondContact O-CB 3.35Å; P267-I269 PolarHBondContact O-N 3.34Å; P267-E270 HydrophobicContact CB-CG 4.36Å; P267-E270 PolarHBondContact O-N 3.41Å
268	T	88.9	Confident	93.7	Very high	33 Å²	33	19.8 Å²	19.8	20%	0.202	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.1	-177.2	55.7	0	0	0	0	112.7	E270 R271 A306 E309	T268-E270 VanDerWaalsContact C-N 3.33Å; T268-E270 PolarHBondContact O-N 3.28Å; T268-R271 WeakPolarHBondContact O-CB 3.03Å; T268-R271 WeakPolarHBondContact O-CG 3.3Å; T268-R271 PolarHBondContact O-N 2.98Å; T268-R271 VanDerWaalsContact O-N 3.17Å; T268-A306 WeakPolarHBondContact O-CB 3.5Å; T268-E309 VanDerWaalsContact CB-OE2 3.28Å; T268-E309 WeakPolarHBondContact CB-OE2 3.38Å; T268-E309 WeakPolarHBondContact CG2-OE2 3.29Å; T268-E309 PolarHBondContact OG1-OE2 3.26Å
269	I	88.4	Confident	93.9	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.1	-179.2	-46.1	-46	0	0	0	112.1	P56 Q97 F99 P267 R271 I272 V310	P56-I269 HydrophobicContact CB-CD1 4.26Å; P56-I269 HydrophobicContact CB-CG1 4.45Å; Q97-I269 HydrophobicContact CG-CG1 4.36Å; Q97-I269 HydrophobicContact CG-CG2 3.92Å; F99-I269 HydrophobicContact CD1-CB 4.34Å; F99-I269 HydrophobicContact CD1-CG2 3.55Å; F99-I269 HydrophobicContact CE1-CG2 4.1Å; P267-I269 PolarHBondContact O-N 3.34Å; I269-R271 PolarHBondContact O-N 3.02Å; I269-I272 WeakPolarHBondContact O-CB 3.45Å; I269-I272 PolarHBondContact O-N 2.97Å; I269-V310 HydrophobicContact CD1-CG2 3.45Å; I269-V310 VanDerWaalsContact CD1-CG2 3.45Å
270	E	91.6	Very high	94	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-29.5	174.7	-68	-165.6	159.8	0	0	111.7	S135 N262 P267 T268 I272 I273 T274	S135-E270 WeakPolarHBondContact OG-CG 3.35Å; S135-E270 PolarHBondContact OG-OE1 3.18Å; N262-E270 WeakPolarHBondContact ND2-CB 3.19Å; N262-E270 PolarHBondContact ND2-OE2 3.09Å; P267-E270 HydrophobicContact CB-CG 4.36Å; P267-E270 PolarHBondContact O-N 3.41Å; T268-E270 VanDerWaalsContact C-N 3.33Å; T268-E270 PolarHBondContact O-N 3.28Å; E270-I272 PolarHBondContact O-N 2.83Å; E270-I273 WeakPolarHBondContact O-CG1 3.3Å; E270-I273 PolarHBondContact O-N 3.02Å; E270-T274 WeakPolarHBondContact O-CB 3.48Å; E270-T274 PolarHBondContact O-N 3.49Å; E270-T274 PolarHBondContact O-OG1 3.48Å
271	R	94.6	Very high	94	Very high	26 Å²	26	19.8 Å²	19.8	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-28.7	176.4	-58.6	172.1	-168.6	172.3	6.9	112.1	M234 N262 A264 T268 I269 P275 Y303 A306	M234-R271 HydrophobicContact CB-CB 4.44Å; M234-R271 HydrophobicContact CB-CG 4.39Å; N262-R271 WeakPolarHBondContact OD1-CG 3.44Å; N262-R271 PolarHBondContact OD1-NE 3.48Å; A264-R271 PolarHBondContact O-NH2 3.35Å; T268-R271 WeakPolarHBondContact O-CB 3.03Å; T268-R271 WeakPolarHBondContact O-CG 3.3Å; T268-R271 PolarHBondContact O-N 2.98Å; T268-R271 VanDerWaalsContact O-N 3.17Å; I269-R271 PolarHBondContact O-N 3.02Å; R271-P275 WeakPolarHBondContact O-CD 3.34Å; R271-Y303 VanDerWaalsContact O-CD2 3.29Å; R271-Y303 WeakPolarHBondContact O-CD2 3.25Å; R271-A306 HydrophobicContact CB-CB 4.15Å
272	I	93.1	Very high	94	Very high	22 Å²	22	19.2 Å²	19.2	11%	0.113	11%	0.109	C	C	.	.	H	α-helix	trans	-71.4	-38.6	-180	-60.5	178.3	0	0	0	110.7	I269 E270 R276 A306 L307 V310	I269-I272 WeakPolarHBondContact O-CB 3.45Å; I269-I272 PolarHBondContact O-N 2.97Å; E270-I272 PolarHBondContact O-N 2.83Å; I272-R276 PolarHBondContact O-NH1 3.29Å; I272-A306 HydrophobicContact CG1-CB 4.31Å; I272-L307 HydrophobicContact CD1-CD1 4.44Å; I272-V310 HydrophobicContact CD1-CB 4.39Å; I272-V310 HydrophobicContact CD1-CG2 3.62Å
273	I	93.9	Very high	94	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-88.5	-25.6	-178.8	59.5	169.9	0	0	0	113	F99 L119 I153 E270 R276 L277	F99-I273 HydrophobicContact CD2-CD1 4.28Å; F99-I273 HydrophobicContact CE1-CG2 4.27Å; F99-I273 HydrophobicContact CE2-CD1 4.17Å; F99-I273 HydrophobicContact CZ-CD1 4.33Å; F99-I273 HydrophobicContact CZ-CG2 4.22Å; L119-I273 HydrophobicContact CD2-CG2 4.13Å; I153-I273 HydrophobicContact CD1-CB 4.34Å; I153-I273 HydrophobicContact CD1-CG2 4.05Å; E270-I273 WeakPolarHBondContact O-CG1 3.3Å; E270-I273 PolarHBondContact O-N 3.02Å; I273-R276 WeakPolarHBondContact O-CA 3.46Å; I273-R276 WeakPolarHBondContact O-CB 3.2Å; I273-R276 PolarHBondContact O-N 2.82Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 2.91Å
274	T	96.1	Very high	94.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-50.3	-52.1	-179.2	-61.9	0	0	0	0	114	G134 A232 M234 F260 E270 R276 L277 A278	G134-T274 WeakPolarHBondContact CA-OG1 3.32Å; G134-T274 PolarHBondContact O-OG1 3.42Å; A232-T274 HydrophobicContact CB-CG2 4.28Å; M234-T274 HydrophobicContact CG-CG2 3.77Å; F260-T274 HydrophobicContact CB-CG2 4.23Å; E270-T274 WeakPolarHBondContact O-CB 3.48Å; E270-T274 PolarHBondContact O-N 3.49Å; E270-T274 PolarHBondContact O-OG1 3.48Å; T274-R276 VanDerWaalsContact C-N 3.27Å; T274-R276 PolarHBondContact O-N 2.87Å; T274-L277 PolarHBondContact O-N 3.45Å; T274-A278 PolarHBondContact O-N 2.89Å
275	P	97.2	Very high	94.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.9	-28.8	-179.7	27.1	-33	0	0	0	111.9	M234 R271 L279 L297 Y303 I334	M234-P275 HydrophobicContact SD-CB 4.05Å; M234-P275 HydrophobicContact SD-CG 3.83Å; R271-P275 WeakPolarHBondContact O-CD 3.34Å; P275-L279 WeakPolarHBondContact O-CB 3.29Å; P275-L279 VanDerWaalsContact O-CG 3.25Å; P275-L279 WeakPolarHBondContact O-CG 3.19Å; P275-L279 PolarHBondContact O-N 2.75Å; P275-L297 HydrophobicContact CB-CD1 4.45Å; P275-L297 HydrophobicContact CB-CD2 4.22Å; P275-Y303 HydrophobicContact CG-CD2 3.74Å; P275-Y303 HydrophobicContact CG-CE2 3.61Å; P275-I334 HydrophobicContact CB-CD1 4.23Å; P275-I334 HydrophobicContact CB-CG2 4.37Å; P275-I334 HydrophobicContact CG-CD1 3.87Å
276	R	96.6	Very high	94.3	Very high	14 Å²	14	11 Å²	11	5%	0.053	6%	0.058	C	C	.	.	H	α-helix	trans	-70.3	-39.8	176.6	-67.1	176.9	170.1	84.7	1.7	111.6	I153 M154 I272 I273 T274 T280 Y303 D330	I153-R276 HydrophobicContact CB-CB 4.1Å; I153-R276 HydrophobicContact CD1-CB 4.18Å; I153-R276 WeakPolarHBondContact O-CB 3.38Å; M154-R276 PolarHBondContact SD-NE 3.37Å; I272-R276 PolarHBondContact O-NH1 3.29Å; I273-R276 WeakPolarHBondContact O-CA 3.46Å; I273-R276 WeakPolarHBondContact O-CB 3.2Å; I273-R276 PolarHBondContact O-N 2.82Å; T274-R276 VanDerWaalsContact C-N 3.27Å; T274-R276 PolarHBondContact O-N 2.87Å; R276-T280 WeakPolarHBondContact O-CB 3.47Å; R276-T280 PolarHBondContact O-N 3.35Å; R276-T280 PolarHBondContact O-OG1 3.42Å; R276-Y303 PolarHBondContact NH1-OH 2.82Å; R276-D330 IonicContact CZ-OD1 3.53Å; R276-D330 IonicContact NH2-OD1 3.52Å; R276-D330 PolarHBondContact NH2-OD1 2.89Å; R276-D330 IonicContact NH2-OD2 2.88Å
277	L	96.1	Very high	94.4	Very high	7 Å²	7	10.1 Å²	10.1	4%	0.037	5%	0.052	C	C	.	.	H	α-helix	trans	-62.7	-47	172.7	-69.1	171.5	0	0	0	111.2	T121 G134 I153 F260 I273 T274 T280 T281	T121-L277 HydrophobicContact CG2-CD2 4.25Å; T121-L277 WeakPolarHBondContact OG1-CD2 3.41Å; G134-L277 WeakPolarHBondContact O-CD1 3.34Å; I153-L277 HydrophobicContact CG2-CD2 3.66Å; F260-L277 HydrophobicContact CD1-CB 4.43Å; F260-L277 HydrophobicContact CE1-CB 4.19Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 2.91Å; T274-L277 PolarHBondContact O-N 3.45Å; L277-T280 PolarHBondContact O-N 3.32Å; L277-T281 PolarHBondContact O-N 2.94Å; L277-T281 PolarHBondContact O-OG1 3.47Å
278	A	97	Very high	94.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.8	-48.7	177.5	0	0	0	0	0	111.9	V230 A232 F260 T274 T280 T281 A282 L297	V230-A278 HydrophobicContact CG1-CB 3.9Å; A232-A278 HydrophobicContact CB-CB 3.65Å; F260-A278 HydrophobicContact CD2-CB 3.85Å; F260-A278 HydrophobicContact CE2-CB 4.22Å; T274-A278 PolarHBondContact O-N 2.89Å; A278-T280 VanDerWaalsContact C-N 3.35Å; A278-T280 PolarHBondContact O-N 3.36Å; A278-T281 PolarHBondContact O-N 2.72Å; A278-A282 WeakPolarHBondContact O-CB 3.31Å; A278-A282 PolarHBondContact O-N 2.93Å; A278-L297 HydrophobicContact CB-CD2 4.43Å
279	L	97.1	Very high	94.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.9	-33	179.9	-71.8	173	0	0	0	113.1	P275 T281 A282 E283 V295 I334 R337 Q350	P275-L279 WeakPolarHBondContact O-CB 3.29Å; P275-L279 VanDerWaalsContact O-CG 3.25Å; P275-L279 WeakPolarHBondContact O-CG 3.19Å; P275-L279 PolarHBondContact O-N 2.75Å; L279-T281 VanDerWaalsContact C-N 3.34Å; L279-A282 PolarHBondContact O-N 2.74Å; L279-E283 WeakPolarHBondContact O-CB 3.3Å; L279-E283 VanDerWaalsContact O-CG 3.29Å; L279-E283 WeakPolarHBondContact O-CG 3.25Å; L279-E283 PolarHBondContact O-N 2.99Å; L279-V295 HydrophobicContact CD2-CB 4.5Å; L279-V295 HydrophobicContact CD2-CG1 4Å; L279-V295 HydrophobicContact CD2-CG2 4.29Å; L279-I334 HydrophobicContact CD1-CB 4.15Å; L279-I334 HydrophobicContact CD1-CG2 3.49Å; L279-I334 VanDerWaalsContact CD1-CG2 3.49Å; L279-I334 VanDerWaalsContact CD1-O 3.28Å; L279-I334 WeakPolarHBondContact CD1-O 3.34Å; L279-R337 VanDerWaalsContact CB-CZ 3.46Å; L279-R337 HydrophobicContact CD1-CB 4.38Å; L279-Q350 HydrophobicContact CD2-CG 4.32Å; L279-Q350 VanDerWaalsContact CD2-NE2 3.3Å
280	T	97.1	Very high	94.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-69.1	-37.8	176.3	-54.2	0	0	0	0	111.3	T121 V123 L151 I153 R276 L277 A278 E283 F284 R337	T121-T280 HydrophobicContact CG2-CG2 3.59Å; V123-T280 HydrophobicContact CG1-CG2 4.45Å; L151-T280 HydrophobicContact CB-CG2 3.59Å; L151-T280 HydrophobicContact CD1-CG2 4.19Å; I153-T280 WeakPolarHBondContact CA-OG1 3.34Å; I153-T280 PolarHBondContact O-OG1 3.46Å; R276-T280 WeakPolarHBondContact O-CB 3.47Å; R276-T280 PolarHBondContact O-N 3.35Å; R276-T280 PolarHBondContact O-OG1 3.42Å; L277-T280 PolarHBondContact O-N 3.32Å; A278-T280 VanDerWaalsContact C-N 3.35Å; A278-T280 PolarHBondContact O-N 3.36Å; T280-E283 PolarHBondContact O-N 2.85Å; T280-F284 WeakPolarHBondContact O-CB 3.46Å; T280-F284 PolarHBondContact O-N 2.81Å; T280-R337 VanDerWaalsContact CA-NH2 3.3Å; T280-R337 PolarHBondContact OG1-NH2 2.91Å
281	T	96.1	Very high	94.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.2	-42.7	171.6	-49.6	0	0	0	0	110.7	M127 F260 L277 A278 L279 E283 F284 L285	M127-T281 HydrophobicContact CE-CG2 4.01Å; M127-T281 HydrophobicContact SD-CG2 4.08Å; F260-T281 WeakPolarHBondContact CZ-OG1 3.35Å; L277-T281 PolarHBondContact O-N 2.94Å; L277-T281 PolarHBondContact O-OG1 3.47Å; A278-T281 PolarHBondContact O-N 2.72Å; L279-T281 VanDerWaalsContact C-N 3.34Å; T281-E283 PolarHBondContact O-N 3.31Å; T281-F284 PolarHBondContact O-N 3.1Å; T281-L285 HydrophobicContact CG2-CD1 4.17Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.28Å; T281-L285 PolarHBondContact O-N 3.12Å
282	A	96.2	Very high	94.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-40.4	176.6	0	0	0	0	0	112.8	V230 A278 L279 L285 A286 V293 V295	V230-A282 HydrophobicContact CB-CB 4.49Å; V230-A282 HydrophobicContact CG2-CB 4.16Å; A278-A282 WeakPolarHBondContact O-CB 3.31Å; A278-A282 PolarHBondContact O-N 2.93Å; L279-A282 PolarHBondContact O-N 2.74Å; A282-L285 PolarHBondContact O-N 3.47Å; A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 3.2Å; A282-V293 HydrophobicContact CB-CG1 3.76Å; A282-V295 HydrophobicContact CB-CG2 3.49Å; A282-V295 VanDerWaalsContact CB-CG2 3.49Å
283	E	95.9	Very high	94.3	Very high	23 Å²	23	16.1 Å²	16.1	11%	0.107	8%	0.077	C	C	.	.	H	α-helix	trans	-66.9	-39.5	175.8	-75.9	175.9	172.9	0	0	112.7	L279 T280 T281 Y287 R337 I348	L279-E283 WeakPolarHBondContact O-CB 3.3Å; L279-E283 VanDerWaalsContact O-CG 3.29Å; L279-E283 WeakPolarHBondContact O-CG 3.25Å; L279-E283 PolarHBondContact O-N 2.99Å; T280-E283 PolarHBondContact O-N 2.85Å; T281-E283 PolarHBondContact O-N 3.31Å; E283-Y287 HydrophobicContact CB-CD2 4.07Å; E283-Y287 HydrophobicContact CB-CE2 4.34Å; E283-Y287 HydrophobicContact CG-CD2 4.16Å; E283-Y287 HydrophobicContact CG-CE2 3.92Å; E283-Y287 VanDerWaalsContact O-CB 3.31Å; E283-Y287 WeakPolarHBondContact O-CB 3.34Å; E283-Y287 PolarHBondContact O-N 3.42Å; E283-R337 VanDerWaalsContact CD-NE 3.35Å; E283-R337 WeakPolarHBondContact OE1-CB 3.38Å; E283-R337 WeakPolarHBondContact OE1-CG 3.48Å; E283-R337 IonicContact OE1-CZ 3.93Å; E283-R337 IonicContact OE1-NE 3.31Å; E283-R337 PolarHBondContact OE1-NE 2.97Å; E283-R337 IonicContact OE1-NH2 3.99Å; E283-R337 PolarHBondContact OE1-NH2 3.42Å; E283-R337 IonicContact OE2-CZ 3.48Å; E283-R337 IonicContact OE2-NE 2.67Å; E283-R337 IonicContact OE2-NH2 2.81Å; E283-R337 PolarHBondContact OE2-NH2 2.97Å; E283-I348 HydrophobicContact CB-CD1 4.22Å; E283-I348 HydrophobicContact CG-CD1 3.54Å
284	F	95.8	Very high	94.2	Very high	3 Å²	3	16 Å²	16	1%	0.013	8%	0.076	C	C	.	.	I	π-helix	trans	-59.9	-53.2	172.9	176.1	-98.3	0	0	0	110.7	V123 E148 L151 T280 T281 A286 Q288 C289	V123-F284 HydrophobicContact CB-CB 4.19Å; V123-F284 HydrophobicContact CB-CD1 4.11Å; V123-F284 HydrophobicContact CB-CD2 4.02Å; V123-F284 HydrophobicContact CB-CE2 4.45Å; V123-F284 HydrophobicContact CB-CG 3.83Å; V123-F284 HydrophobicContact CG1-CB 4.32Å; V123-F284 HydrophobicContact CG1-CG 4.49Å; V123-F284 HydrophobicContact CG2-CB 4.29Å; V123-F284 HydrophobicContact CG2-CD1 4.39Å; V123-F284 HydrophobicContact CG2-CD2 3.42Å; V123-F284 VanDerWaalsContact CG2-CD2 3.42Å; V123-F284 HydrophobicContact CG2-CE2 3.75Å; V123-F284 HydrophobicContact CG2-CG 3.77Å; V123-F284 HydrophobicContact CG2-CZ 4.38Å; E148-F284 WeakPolarHBondContact OE2-CZ 3.48Å; L151-F284 HydrophobicContact CD1-CB 4.04Å; L151-F284 HydrophobicContact CD1-CD2 4.12Å; T280-F284 WeakPolarHBondContact O-CB 3.46Å; T280-F284 PolarHBondContact O-N 2.81Å; T281-F284 PolarHBondContact O-N 3.1Å; F284-A286 PolarHBondContact O-N 2.83Å; F284-Q288 HydrophobicContact CD2-CB 4.16Å; F284-Q288 VanDerWaalsContact CD2-CD 3.45Å; F284-Q288 HydrophobicContact CD2-CG 4.1Å; F284-Q288 VanDerWaalsContact CD2-OE1 3.22Å; F284-Q288 HydrophobicContact CE2-CB 4.28Å; F284-Q288 WeakPolarHBondContact O-CA 3.25Å; F284-Q288 VanDerWaalsContact O-CB 3.24Å; F284-Q288 WeakPolarHBondContact O-CB 3.05Å; F284-Q288 PolarHBondContact O-N 3.46Å; F284-C289 PolarHBondContact O-N 2.97Å
285	L	94	Very high	94.3	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.076	C	C	.	.	I	π-helix	trans	-63.1	-42.3	-179.6	-67.9	170.8	0	0	0	112.6	L128 V230 T281 A282 C289 E290 K291 V293	L128-L285 HydrophobicContact CD1-CD2 4.12Å; L128-L285 HydrophobicContact CD2-CD1 3.81Å; L128-L285 HydrophobicContact CG-CD1 4.36Å; L128-L285 HydrophobicContact CG-CD2 4.27Å; V230-L285 HydrophobicContact CG2-CD1 4.12Å; T281-L285 HydrophobicContact CG2-CD1 4.17Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.28Å; T281-L285 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 3.47Å; L285-C289 CarbonylContact O-C 3.5Å; L285-C289 WeakPolarHBondContact O-CB 3.45Å; L285-C289 PolarHBondContact O-N 2.84Å; L285-E290 PolarHBondContact O-N 3.44Å; L285-K291 HydrophobicContact CD2-CD 4.5Å; L285-K291 WeakPolarHBondContact O-CB 3.48Å; L285-K291 PolarHBondContact O-N 3.03Å; L285-V293 HydrophobicContact CB-CG2 3.76Å
286	A	93.1	Very high	94.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-75.4	-48	-177.6	0	0	0	0	0	112.4	A282 F284 E290 K291 V293 G346 I348	A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 3.2Å; F284-A286 PolarHBondContact O-N 2.83Å; A286-E290 WeakPolarHBondContact O-CA 3.45Å; A286-E290 PolarHBondContact O-N 3.04Å; A286-K291 WeakPolarHBondContact CA-O 3.4Å; A286-V293 HydrophobicContact CB-CB 4.36Å; A286-V293 HydrophobicContact CB-CG2 3.81Å; A286-G346 VanDerWaalsContact O-CA 3.3Å; A286-G346 WeakPolarHBondContact O-CA 3.35Å; A286-I348 HydrophobicContact CB-CD1 3.99Å; A286-I348 HydrophobicContact CB-CG1 3.39Å
287	Y	92.7	Very high	94.2	Very high	23 Å²	23	15.3 Å²	15.3	9%	0.09	7%	0.074	C	C	.	.	I	π-helix	trans	-95.3	-24.8	-170.6	-54.5	-44	0	0	0	112.9	I158 E283 V341 R344 I348	I158-Y287 HydrophobicContact CD1-CE2 4Å; I158-Y287 WeakPolarHBondContact CD1-OH 3.44Å; E283-Y287 HydrophobicContact CB-CD2 4.07Å; E283-Y287 HydrophobicContact CB-CE2 4.34Å; E283-Y287 HydrophobicContact CG-CD2 4.16Å; E283-Y287 HydrophobicContact CG-CE2 3.92Å; E283-Y287 VanDerWaalsContact O-CB 3.31Å; E283-Y287 WeakPolarHBondContact O-CB 3.34Å; E283-Y287 PolarHBondContact O-N 3.42Å; Y287-V341 HydrophobicContact CD1-CG2 3.79Å; Y287-V341 HydrophobicContact CE1-CG1 3.97Å; Y287-V341 HydrophobicContact CE1-CG2 3.92Å; Y287-R344 VanDerWaalsContact C-NH1 3.28Å; Y287-R344 WeakPolarHBondContact O-CD 3.35Å; Y287-R344 PolarHBondContact O-NH1 2.81Å; Y287-I348 HydrophobicContact CD2-CD1 4.36Å; Y287-I348 HydrophobicContact CE1-CD1 4.45Å; Y287-I348 HydrophobicContact CE2-CD1 3.67Å
288	Q	91.4	Very high	94.2	Very high	97 Å²	97	15.1 Å²	15.1	45%	0.453	7%	0.073	S	C	.	.	I	π-helix	trans	-98.2	-40.3	177.1	-54	-168.3	14.2	0	0	112.1	F284	F284-Q288 HydrophobicContact CD2-CB 4.16Å; F284-Q288 VanDerWaalsContact CD2-CD 3.45Å; F284-Q288 HydrophobicContact CD2-CG 4.1Å; F284-Q288 VanDerWaalsContact CD2-OE1 3.22Å; F284-Q288 HydrophobicContact CE2-CB 4.28Å; F284-Q288 WeakPolarHBondContact O-CA 3.25Å; F284-Q288 VanDerWaalsContact O-CB 3.24Å; F284-Q288 WeakPolarHBondContact O-CB 3.05Å; F284-Q288 PolarHBondContact O-N 3.46Å
289	C	89.8	Confident	94.1	Very high	35 Å²	35	15.9 Å²	15.9	24%	0.236	8%	0.077	C	C	.	.	S	Bend	trans	-96.1	2.9	178.8	-47.9	0	0	0	0	113.7	F284 L285 K291	F284-C289 PolarHBondContact O-N 2.97Å; L285-C289 CarbonylContact O-C 3.5Å; L285-C289 WeakPolarHBondContact O-CB 3.45Å; L285-C289 PolarHBondContact O-N 2.84Å; C289-K291 HydrophobicContact CB-CG 4.2Å; C289-K291 PolarHBondContact O-N 2.99Å
290	E	90.1	Very high	94	Very high	88 Å²	88	15.9 Å²	15.9	41%	0.411	8%	0.077	S	C	.	.			trans	60.4	20.7	178.6	-58	-170.2	176.7	0	0	116	L285 A286 N345 G346	L285-E290 PolarHBondContact O-N 3.44Å; A286-E290 WeakPolarHBondContact O-CA 3.45Å; A286-E290 PolarHBondContact O-N 3.04Å; E290-N345 HydrophobicContact CB-CB 4.41Å; E290-N345 PolarHBondContact OE2-ND2 3.1Å; E290-G346 WeakPolarHBondContact O-CA 3.37Å
291	K	89.1	Confident	93.9	Very high	29 Å²	29	16.1 Å²	16.1	13%	0.126	8%	0.079	C	C	.	.			trans	-79.5	153.8	-176.4	-61.3	-165.8	-177.4	-173.8	0	115	E125 L128 A228 L285 A286 C289 V293 G346 S347	E125-K291 WeakPolarHBondContact OE1-CE 3.46Å; E125-K291 IonicContact OE1-NZ 2.77Å; E125-K291 PolarHBondContact OE1-NZ 2.96Å; L128-K291 HydrophobicContact CD1-CD 4.24Å; A228-K291 HydrophobicContact CB-CD 4.38Å; L285-K291 HydrophobicContact CD2-CD 4.5Å; L285-K291 WeakPolarHBondContact O-CB 3.48Å; L285-K291 PolarHBondContact O-N 3.03Å; A286-K291 WeakPolarHBondContact CA-O 3.4Å; C289-K291 HydrophobicContact CB-CG 4.2Å; C289-K291 PolarHBondContact O-N 2.99Å; K291-V293 HydrophobicContact CB-CG2 4.33Å; K291-V293 PolarHBondContact O-N 3.22Å; K291-G346 WeakPolarHBondContact O-CA 3.32Å; K291-S347 PolarHBondContact O-N 3.42Å
292	H	90.8	Very high	93.9	Very high	11 Å²	11	17 Å²	17	5%	0.051	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	74.8	167.2	46.3	-83.1	0	0	0	115.5	R185 N226 F227 A228 N345 S347	R185-H292 VanDerWaalsContact CZ-CE1 3.46Å; R185-H292 PolarHBondContact NH1-CD2 2.97Å; R185-H292 PolarHBondContact NH1-NE2 2.64Å; R185-H292 VanDerWaalsContact NH1-NE2 3.16Å; R185-H292 PolarHBondContact NH2-CD2 2.99Å; R185-H292 VanDerWaalsContact NH2-CD2 3.29Å; R185-H292 PolarHBondContact NH2-CE1 2.86Å; R185-H292 PolarHBondContact NH2-ND1 2.88Å; R185-H292 PolarHBondContact NH2-NE2 3.13Å; R185-H292 VanDerWaalsContact NH2-NE2 3.16Å; N226-H292 VanDerWaalsContact O-CA 3.23Å; N226-H292 WeakPolarHBondContact O-CA 3.46Å; N226-H292 PolarHBondContact O-N 2.84Å; F227-H292 CarbonylContact C-O 3.58Å; F227-H292 WeakPolarHBondContact CA-O 3.43Å; F227-H292 WeakPolarHBondContact CD2-O 3.44Å; A228-H292 PolarHBondContact N-O 3.34Å; H292-N345 PolarHBondContact CE1-O 2.97Å; H292-N345 PolarHBondContact ND1-O 2.67Å; H292-S347 WeakPolarHBondContact CB-OG 3.48Å
293	V	93.3	Very high	93.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123	-170.6	-168.5	0	0	0	0	113.4	A228 V230 A282 L285 A286 K291 V295 S347 I348 T349	A228-V293 HydrophobicContact CB-CG2 4.48Å; A228-V293 CarbonylContact O-C 3.6Å; A228-V293 WeakPolarHBondContact O-CA 3.42Å; V230-V293 HydrophobicContact CB-CG1 4.36Å; V230-V293 HydrophobicContact CG2-CG1 3.74Å; A282-V293 HydrophobicContact CB-CG1 3.76Å; L285-V293 HydrophobicContact CB-CG2 3.76Å; A286-V293 HydrophobicContact CB-CB 4.36Å; A286-V293 HydrophobicContact CB-CG2 3.81Å; K291-V293 HydrophobicContact CB-CG2 4.33Å; K291-V293 PolarHBondContact O-N 3.22Å; V293-V295 HydrophobicContact CG1-CG2 3.92Å; V293-S347 PolarHBondContact N-O 3.26Å; V293-I348 WeakPolarHBondContact O-CA 3.42Å; V293-T349 PolarHBondContact O-N 3.38Å
294	L	93.7	Very high	93.9	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.2	165.3	178.6	64.8	0	0	0	109.8	A210 F227 A228 I229 V230 I296 T349 I351	A210-L294 HydrophobicContact CB-CD2 3.95Å; F227-L294 HydrophobicContact CE1-CB 3.79Å; F227-L294 HydrophobicContact CE1-CD2 4.14Å; F227-L294 HydrophobicContact CE2-CB 4.48Å; F227-L294 HydrophobicContact CZ-CB 3.55Å; F227-L294 HydrophobicContact CZ-CD2 4.08Å; F227-L294 HydrophobicContact CZ-CG 4.37Å; A228-L294 PolarHBondContact O-N 2.91Å; I229-L294 WeakPolarHBondContact CA-O 3.41Å; V230-L294 PolarHBondContact N-O 3.01Å; L294-I296 HydrophobicContact CG-CG1 4.46Å; L294-T349 HydrophobicContact CD1-CG2 4Å; L294-I351 HydrophobicContact CD1-CD1 3.8Å; L294-I351 HydrophobicContact CD1-CG1 3.97Å
295	V	96.5	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	178.5	-173.7	0	0	0	0	109.6	V230 L279 A282 V293 L297 I348 T349 Q350 I351	V230-V295 HydrophobicContact CB-CG2 4.37Å; V230-V295 CarbonylContact O-C 3.59Å; V230-V295 VanDerWaalsContact O-CA 3.29Å; V230-V295 WeakPolarHBondContact O-CA 3.29Å; L279-V295 HydrophobicContact CD2-CB 4.5Å; L279-V295 HydrophobicContact CD2-CG1 4Å; L279-V295 HydrophobicContact CD2-CG2 4.29Å; A282-V295 HydrophobicContact CB-CG2 3.49Å; A282-V295 VanDerWaalsContact CB-CG2 3.49Å; V293-V295 HydrophobicContact CG1-CG2 3.92Å; V295-L297 HydrophobicContact CG1-CD2 3.71Å; V295-L297 HydrophobicContact CG1-CG 4.03Å; V295-I348 HydrophobicContact CG2-CG2 3.76Å; V295-T349 PolarHBondContact N-O 3.19Å; V295-Q350 HydrophobicContact CB-CG 4.25Å; V295-I351 PolarHBondContact O-N 2.97Å
296	I	95.9	Very high	93.9	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.6	170.1	-57.2	-161.1	0	0	0	108.9	A203 C207 V230 F231 A232 L294 I351 I353	A203-I296 HydrophobicContact CB-CD1 4.47Å; C207-I296 WeakPolarHBondContact SG-CD1 3.44Å; V230-I296 PolarHBondContact O-N 3.44Å; F231-I296 HydrophobicContact CD2-CB 3.78Å; F231-I296 HydrophobicContact CD2-CG2 3.93Å; F231-I296 HydrophobicContact CE2-CB 4.13Å; F231-I296 HydrophobicContact CE2-CG2 3.73Å; A232-I296 PolarHBondContact N-O 3.36Å; L294-I296 HydrophobicContact CG-CG1 4.46Å; I296-I351 HydrophobicContact CG1-CB 4.48Å; I296-I353 HydrophobicContact CG2-CD1 3.82Å; I296-I353 HydrophobicContact CG2-CG1 4.3Å
297	L	96.9	Very high	93.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.8	177.6	-55	177.3	0	0	0	108.3	A232 M234 P275 A278 V295 M300 I334 I351 P352 I353	A232-L297 HydrophobicContact CB-CD2 3.61Å; M234-L297 HydrophobicContact CE-CB 4.15Å; P275-L297 HydrophobicContact CB-CD1 4.45Å; P275-L297 HydrophobicContact CB-CD2 4.22Å; A278-L297 HydrophobicContact CB-CD2 4.43Å; V295-L297 HydrophobicContact CG1-CD2 3.71Å; V295-L297 HydrophobicContact CG1-CG 4.03Å; L297-M300 HydrophobicContact CB-SD 4.03Å; L297-M300 HydrophobicContact CD1-SD 4.22Å; L297-I334 HydrophobicContact CD1-CG2 3.72Å; L297-I351 PolarHBondContact N-O 3.01Å; L297-P352 HydrophobicContact CB-CB 4.3Å; L297-P352 CarbonylContact O-C 3.47Å; L297-P352 WeakPolarHBondContact O-CA 3.33Å; L297-I353 PolarHBondContact O-N 3.33Å
298	T	94.9	Very high	94	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.6	177.1	-175.7	0	0	0	0	109.2	F231 A232 A233 M234 V236	F231-T298 HydrophobicContact CE1-CG2 3.98Å; F231-T298 HydrophobicContact CE2-CG2 4.23Å; F231-T298 HydrophobicContact CZ-CG2 3.49Å; F231-T298 VanDerWaalsContact CZ-CG2 3.49Å; A232-T298 PolarHBondContact O-N 2.85Å; A232-T298 VanDerWaalsContact O-O 3.08Å; A233-T298 CarbonylContact C-O 3.55Å; A233-T298 VanDerWaalsContact C-O 3.25Å; A233-T298 WeakPolarHBondContact CA-O 3.43Å; A233-T298 HydrophobicContact CB-CG2 4.41Å; M234-T298 PolarHBondContact N-O 3.22Å; V236-T298 HydrophobicContact CG1-CG2 4.42Å
299	D	94.9	Very high	94	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.091	11%	0.113	C	C	.	.			cis	-103.2	126.6	-10.2	-174.2	-9.1	0	0	0	109.6	M234 S301 S302 Y303 L354 T355	M234-D299 PolarHBondContact O-N 3.33Å; D299-S301 PolarHBondContact O-N 3.26Å; D299-S301 WeakPolarHBondContact OD1-CB 3.37Å; D299-S301 PolarHBondContact OD1-N 2.84Å; D299-S302 PolarHBondContact O-N 3.34Å; D299-S302 VanDerWaalsContact O-N 3.16Å; D299-Y303 PolarHBondContact O-N 2.88Å; D299-L354 VanDerWaalsContact OD1-CA 3.3Å; D299-L354 WeakPolarHBondContact OD1-CA 3.24Å; D299-T355 PolarHBondContact OD1-N 2.82Å; D299-T355 VanDerWaalsContact OD1-N 3.14Å; D299-T355 WeakPolarHBondContact OD2-CB 3.32Å; D299-T355 VanDerWaalsContact OD2-CG2 3.22Å; D299-T355 WeakPolarHBondContact OD2-CG2 3.41Å; D299-T355 PolarHBondContact OD2-OG1 3.3Å
300	M	96.3	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-19.3	176.7	-67.7	-59.3	-57.5	0	0	112.8	M234 L297 Y303 A304 L331 I334 Y335 P352 I353 L354	M234-M300 HydrophobicContact CE-SD 3.8Å; L297-M300 HydrophobicContact CB-SD 4.03Å; L297-M300 HydrophobicContact CD1-SD 4.22Å; M300-Y303 HydrophobicContact CE-CD1 4.01Å; M300-Y303 HydrophobicContact CE-CG 4.2Å; M300-Y303 WeakPolarHBondContact O-CB 3.39Å; M300-Y303 PolarHBondContact O-N 2.88Å; M300-A304 PolarHBondContact O-N 2.88Å; M300-L331 HydrophobicContact CE-CD2 3.5Å; M300-L331 VanDerWaalsContact CE-CD2 3.5Å; M300-I334 HydrophobicContact CE-CD1 4.44Å; M300-Y335 HydrophobicContact CE-CE1 3.94Å; M300-Y335 WeakPolarHBondContact CE-OH 3.31Å; M300-Y335 HydrophobicContact CG-CE1 4.4Å; M300-Y335 WeakPolarHBondContact CG-OH 3.34Å; M300-Y335 HydrophobicContact SD-CE1 4.34Å; M300-P352 HydrophobicContact CG-CB 3.94Å; M300-I353 PolarHBondContact N-O 2.87Å; M300-L354 HydrophobicContact CB-CB 4.08Å
301	S	95.6	Very high	94	Very high	5 Å²	5	18.1 Å²	18.1	4%	0.035	9%	0.085	C	C	.	.	H	α-helix	trans	-68.7	-42.6	171.2	-69.2	0	0	0	0	111.7	D299 Y303 A304 E305 T355	D299-S301 PolarHBondContact O-N 3.26Å; D299-S301 WeakPolarHBondContact OD1-CB 3.37Å; D299-S301 PolarHBondContact OD1-N 2.84Å; S301-Y303 VanDerWaalsContact C-N 3.28Å; S301-Y303 PolarHBondContact O-N 3.12Å; S301-A304 PolarHBondContact O-N 3.21Å; S301-E305 WeakPolarHBondContact O-CG 3.46Å; S301-E305 PolarHBondContact O-N 3.21Å; S301-T355 WeakPolarHBondContact CB-O 3.18Å; S301-T355 PolarHBondContact OG-N 3.46Å; S301-T355 PolarHBondContact OG-O 2.99Å
302	S	95.5	Very high	94.1	Very high	20 Å²	20	20 Å²	20	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-32.2	174.5	-61	0	0	0	0	112.5	M234 D299 A306	M234-S302 WeakPolarHBondContact O-CB 3.39Å; D299-S302 PolarHBondContact O-N 3.34Å; D299-S302 VanDerWaalsContact O-N 3.16Å; S302-A306 PolarHBondContact O-N 3.19Å; S302-A306 VanDerWaalsContact O-N 3.09Å
303	Y	96.6	Very high	94	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-51.2	169.4	176.6	-89.2	0	0	0	111.7	M234 R271 P275 R276 D299 M300 S301 E305 A306 L307 D330 L331 I334	M234-Y303 HydrophobicContact SD-CD2 4.17Å; R271-Y303 VanDerWaalsContact O-CD2 3.29Å; R271-Y303 WeakPolarHBondContact O-CD2 3.25Å; P275-Y303 HydrophobicContact CG-CD2 3.74Å; P275-Y303 HydrophobicContact CG-CE2 3.61Å; R276-Y303 PolarHBondContact NH1-OH 2.82Å; D299-Y303 PolarHBondContact O-N 2.88Å; M300-Y303 HydrophobicContact CE-CD1 4.01Å; M300-Y303 HydrophobicContact CE-CG 4.2Å; M300-Y303 WeakPolarHBondContact O-CB 3.39Å; M300-Y303 PolarHBondContact O-N 2.88Å; S301-Y303 VanDerWaalsContact C-N 3.28Å; S301-Y303 PolarHBondContact O-N 3.12Å; Y303-E305 VanDerWaalsContact C-N 3.29Å; Y303-E305 PolarHBondContact O-N 3.47Å; Y303-A306 PolarHBondContact O-N 3.24Å; Y303-L307 HydrophobicContact CE1-CD2 4.39Å; Y303-L307 PolarHBondContact O-N 3.01Å; Y303-D330 WeakPolarHBondContact CE1-OD2 3.46Å; Y303-D330 VanDerWaalsContact CZ-OD2 3.29Å; Y303-D330 PolarHBondContact OH-OD2 3.5Å; Y303-L331 HydrophobicContact CD1-CD2 4.16Å; Y303-L331 HydrophobicContact CE1-CD2 4.2Å; Y303-I334 HydrophobicContact CE1-CD1 3.98Å; Y303-I334 HydrophobicContact CE2-CD1 3.8Å
304	A	96.1	Very high	93.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-34	-179.1	0	0	0	0	0	112.5	M300 S301 L307 R308 F323 M327 I365	M300-A304 PolarHBondContact O-N 2.88Å; S301-A304 PolarHBondContact O-N 3.21Å; A304-L307 PolarHBondContact O-N 2.81Å; A304-R308 WeakPolarHBondContact O-CB 3.47Å; A304-R308 PolarHBondContact O-N 2.9Å; A304-F323 HydrophobicContact CB-CD1 4.38Å; A304-F323 HydrophobicContact CB-CE1 3.92Å; A304-M327 HydrophobicContact CB-SD 4.16Å; A304-I365 HydrophobicContact CB-CD1 3.85Å; A304-I365 HydrophobicContact CB-CG1 3.84Å
305	E	94.6	Very high	93.3	Very high	88 Å²	88	32.4 Å²	32.4	41%	0.411	17%	0.165	S	C	.	.	H	α-helix	trans	-66.6	-42.7	173.4	-74.3	-175.4	166.6	0	0	112.6	S301 Y303 L307 R308 E309	S301-E305 WeakPolarHBondContact O-CG 3.46Å; S301-E305 PolarHBondContact O-N 3.21Å; Y303-E305 VanDerWaalsContact C-N 3.29Å; Y303-E305 PolarHBondContact O-N 3.47Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.24Å; E305-R308 WeakPolarHBondContact O-CB 3.3Å; E305-R308 PolarHBondContact O-N 3.35Å; E305-E309 PolarHBondContact O-N 3.48Å
306	A	93.4	Very high	93.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-42.5	173.4	0	0	0	0	0	110.9	T268 R271 I272 S302 Y303 R308 E309 V310	T268-A306 WeakPolarHBondContact O-CB 3.5Å; R271-A306 HydrophobicContact CB-CB 4.15Å; I272-A306 HydrophobicContact CG1-CB 4.31Å; S302-A306 PolarHBondContact O-N 3.19Å; S302-A306 VanDerWaalsContact O-N 3.09Å; Y303-A306 PolarHBondContact O-N 3.24Å; A306-R308 VanDerWaalsContact C-N 3.3Å; A306-R308 PolarHBondContact O-N 3.28Å; A306-E309 WeakPolarHBondContact O-CB 2.83Å; A306-E309 PolarHBondContact O-N 3.44Å; A306-V310 WeakPolarHBondContact O-CG2 3.02Å; A306-V310 PolarHBondContact O-N 2.86Å
307	L	94.2	Very high	93	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-39.6	176.1	-162.4	67	0	0	0	112	I272 Y303 A304 E305 V310 S311 P324 Y326 M327 D330	I272-L307 HydrophobicContact CD1-CD1 4.44Å; Y303-L307 HydrophobicContact CE1-CD2 4.39Å; Y303-L307 PolarHBondContact O-N 3.01Å; A304-L307 PolarHBondContact O-N 2.81Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.24Å; L307-V310 PolarHBondContact O-N 2.95Å; L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.44Å; L307-P324 HydrophobicContact CD2-CG 3.9Å; L307-P324 HydrophobicContact CG-CG 3.84Å; L307-Y326 HydrophobicContact CD1-CE2 4.15Å; L307-Y326 HydrophobicContact CD2-CE2 4.3Å; L307-Y326 HydrophobicContact CG-CE2 4.24Å; L307-M327 HydrophobicContact CD2-CG 4.39Å; L307-D330 HydrophobicContact CD2-CB 4.1Å; L307-D330 VanDerWaalsContact CD2-OD2 3.3Å; L307-D330 WeakPolarHBondContact CD2-OD2 3.37Å
308	R	94.6	Very high	92.9	Very high	92 Å²	92	45.2 Å²	45.2	35%	0.347	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-43.7	173.9	-179	179.7	69.5	-177.5	-3.8	112.4	A304 E305 A306 V310 S311 A312 G322 F323	A304-R308 WeakPolarHBondContact O-CB 3.47Å; A304-R308 PolarHBondContact O-N 2.9Å; E305-R308 WeakPolarHBondContact O-CB 3.3Å; E305-R308 PolarHBondContact O-N 3.35Å; A306-R308 VanDerWaalsContact C-N 3.3Å; A306-R308 PolarHBondContact O-N 3.28Å; R308-V310 VanDerWaalsContact C-N 3.32Å; R308-V310 PolarHBondContact O-N 3.48Å; R308-S311 PolarHBondContact O-N 2.68Å; R308-A312 WeakPolarHBondContact O-CB 3.27Å; R308-A312 PolarHBondContact O-N 3.43Å; R308-G322 WeakPolarHBondContact CG-O 3.43Å; R308-F323 HydrophobicContact CB-CD1 3.98Å; R308-F323 HydrophobicContact CB-CE1 4.26Å
309	E	91.4	Very high	92.8	Very high	91 Å²	91	46.8 Å²	46.8	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-44.4	177.8	-173.6	-174.6	175.5	0	0	111.3	T268 E305 A306 A312 A313	T268-E309 VanDerWaalsContact CB-OE2 3.28Å; T268-E309 WeakPolarHBondContact CB-OE2 3.38Å; T268-E309 WeakPolarHBondContact CG2-OE2 3.29Å; T268-E309 PolarHBondContact OG1-OE2 3.26Å; E305-E309 PolarHBondContact O-N 3.48Å; A306-E309 WeakPolarHBondContact O-CB 2.83Å; A306-E309 PolarHBondContact O-N 3.44Å; E309-A312 PolarHBondContact O-N 3.4Å; E309-A313 WeakPolarHBondContact O-CB 3.26Å; E309-A313 PolarHBondContact O-N 3.45Å
310	V	88.8	Confident	92.6	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-43.4	177.9	176.5	0	0	0	0	111.9	L87 I269 I272 A306 L307 R308 A313 R314	L87-V310 HydrophobicContact CD1-CG1 4.47Å; I269-V310 HydrophobicContact CD1-CG2 3.45Å; I269-V310 VanDerWaalsContact CD1-CG2 3.45Å; I272-V310 HydrophobicContact CD1-CB 4.39Å; I272-V310 HydrophobicContact CD1-CG2 3.62Å; A306-V310 WeakPolarHBondContact O-CG2 3.02Å; A306-V310 PolarHBondContact O-N 2.86Å; L307-V310 PolarHBondContact O-N 2.95Å; R308-V310 VanDerWaalsContact C-N 3.32Å; R308-V310 PolarHBondContact O-N 3.48Å; V310-A313 PolarHBondContact O-N 3.29Å; V310-R314 WeakPolarHBondContact O-CG 3.34Å; V310-R314 PolarHBondContact O-N 3.44Å
311	S	91.6	Very high	92.4	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-42.5	177.1	-173.9	0	0	0	0	111.9	L307 R308 R314 E315 E316	L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.44Å; R308-S311 PolarHBondContact O-N 2.68Å; S311-R314 PolarHBondContact O-N 3.49Å; S311-E315 PolarHBondContact O-N 3.38Å; S311-E316 WeakPolarHBondContact CA-OE2 3.33Å; S311-E316 VanDerWaalsContact CB-OE2 3.3Å; S311-E316 WeakPolarHBondContact CB-OE2 3.46Å; S311-E316 PolarHBondContact O-N 3.16Å; S311-E316 PolarHBondContact OG-OE2 2.81Å
312	A	90.8	Very high	92.2	Very high	69 Å²	69	59.6 Å²	59.6	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-65.6	-40.7	177	0	0	0	0	0	112.4	R308 E309 R314 E315	R308-A312 WeakPolarHBondContact O-CB 3.27Å; R308-A312 PolarHBondContact O-N 3.43Å; E309-A312 PolarHBondContact O-N 3.4Å; A312-R314 PolarHBondContact O-N 3.43Å; A312-E315 PolarHBondContact O-N 3.42Å
313	A	87.6	Confident	92.2	Very high	26 Å²	26	58.9 Å²	58.9	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-22.1	175.4	0	0	0	0	0	113.4	P56 E309 V310	P56-A313 HydrophobicContact CG-CB 3.8Å; E309-A313 WeakPolarHBondContact O-CB 3.26Å; E309-A313 PolarHBondContact O-N 3.45Å; V310-A313 PolarHBondContact O-N 3.29Å
314	R	85.1	Confident	92.2	Very high	77 Å²	77	59.2 Å²	59.2	29%	0.291	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.4	175.8	-68.7	176.2	72.5	-151	-9	113.6	L57 E88 V310 S311 A312 E316	L57-R314 HydrophobicContact CD1-CG 3.9Å; E88-R314 IonicContact OE2-NH2 3.97Å; V310-R314 WeakPolarHBondContact O-CG 3.34Å; V310-R314 PolarHBondContact O-N 3.44Å; S311-R314 PolarHBondContact O-N 3.49Å; A312-R314 PolarHBondContact O-N 3.43Å; R314-E316 HydrophobicContact CB-CG 3.91Å; R314-E316 IonicContact CZ-OE1 3.8Å; R314-E316 IonicContact NE-OE1 2.77Å; R314-E316 IonicContact NH1-OE1 3.36Å; R314-E316 PolarHBondContact NH1-OE1 2.9Å; R314-E316 IonicContact NH2-OE1 3.38Å; R314-E316 PolarHBondContact NH2-OE1 2.87Å; R314-E316 PolarHBondContact O-N 3.02Å
315	E	88.6	Confident	92.1	Very high	172 Å²	172	62.3 Å²	62.3	80%	0.804	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.3	-175.4	-56.8	-175	166.3	0	0	113	S311 A312	S311-E315 PolarHBondContact O-N 3.38Å; A312-E315 PolarHBondContact O-N 3.42Å
316	E	90.7	Very high	92.1	Very high	52 Å²	52	61.9 Å²	61.9	24%	0.243	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-69.9	155.7	175.6	-69.1	179.7	148.5	0	0	111.2	S311 R314 P318 Y326	S311-E316 WeakPolarHBondContact CA-OE2 3.33Å; S311-E316 VanDerWaalsContact CB-OE2 3.3Å; S311-E316 WeakPolarHBondContact CB-OE2 3.46Å; S311-E316 PolarHBondContact O-N 3.16Å; S311-E316 PolarHBondContact OG-OE2 2.81Å; R314-E316 HydrophobicContact CB-CG 3.91Å; R314-E316 IonicContact CZ-OE1 3.8Å; R314-E316 IonicContact NE-OE1 2.77Å; R314-E316 IonicContact NH1-OE1 3.36Å; R314-E316 PolarHBondContact NH1-OE1 2.9Å; R314-E316 IonicContact NH2-OE1 3.38Å; R314-E316 PolarHBondContact NH2-OE1 2.87Å; R314-E316 PolarHBondContact O-N 3.02Å; E316-P318 VanDerWaalsContact O-CD 3.24Å; E316-P318 WeakPolarHBondContact O-CD 3.48Å; E316-Y326 WeakPolarHBondContact OE2-CE1 3.5Å; E316-Y326 PolarHBondContact OE2-OH 3.14Å
317	V	94.1	Very high	92.2	Very high	131 Å²	131	62.1 Å²	62.1	79%	0.794	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-65.5	116.5	174.5	-178.9	0	0	0	0	109
318	P	94.8	Very high	92.4	Very high	86 Å²	86	66.9 Å²	66.9	56%	0.558	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-73.7	146	-177.1	29.7	-33.8	0	0	0	111.2	E316	E316-P318 VanDerWaalsContact O-CD 3.24Å; E316-P318 WeakPolarHBondContact O-CD 3.48Å
319	G	93	Very high	92.5	Very high	35 Å²	35	66.7 Å²	66.7	36%	0.361	37%	0.366	S	S	.	.			trans	-87.7	-152.2	169	0	0	0	0	0	112.9	R321 G322 F323	G319-R321 PolarHBondContact O-N 3.21Å; G319-G322 PolarHBondContact O-N 3.46Å; G319-F323 WeakPolarHBondContact CA-O 3.4Å; G319-F323 PolarHBondContact N-O 2.96Å
320	R	92.1	Very high	92.7	Very high	135 Å²	135	63.5 Å²	63.5	51%	0.509	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-63.3	130.5	-177.7	-165.4	171.8	81.3	-166.8	2.6	110.8	G322 F323 T362 P364 D367	R320-G322 PolarHBondContact O-N 2.81Å; R320-F323 PolarHBondContact O-N 2.72Å; R320-T362 PolarHBondContact NH2-O 3.24Å; R320-T362 VanDerWaalsContact NH2-O 3.13Å; R320-P364 HydrophobicContact CB-CG 4.37Å; R320-P364 HydrophobicContact CG-CG 4.28Å; R320-D367 IonicContact CZ-OD2 3.62Å; R320-D367 IonicContact NH1-OD2 2.77Å; R320-D367 PolarHBondContact NH1-OD2 2.91Å; R320-D367 VanDerWaalsContact NH1-OD2 3.12Å; R320-D367 IonicContact NH2-OD2 3.62Å; R320-D367 PolarHBondContact NH2-OD2 3.36Å
321	R	90.4	Very high	93.1	Very high	124 Å²	124	63.2 Å²	63.2	47%	0.468	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	54.4	27.1	-177.8	-59	-169	-177.2	179.4	5.7	114.4	G319 F323 D360 H363 P364	G319-R321 PolarHBondContact O-N 3.21Å; R321-F323 HydrophobicContact CB-CD2 4.27Å; R321-F323 HydrophobicContact CB-CE2 4.37Å; R321-F323 PolarHBondContact O-N 3.16Å; R321-D360 IonicContact CZ-OD2 3.45Å; R321-D360 IonicContact NH1-OD2 3.64Å; R321-D360 PolarHBondContact NH1-OD2 3.41Å; R321-D360 IonicContact NH2-OD2 3.03Å; R321-D360 PolarHBondContact NH2-OD2 2.85Å; R321-H363 PolarHBondContact NH1-CD2 3.34Å; R321-P364 HydrophobicContact CB-CG 4.16Å; R321-P364 HydrophobicContact CG-CG 4.18Å
322	G	92.9	Very high	93.3	Very high	33 Å²	33	64 Å²	64	34%	0.34	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	86	-4.1	175.5	0	0	0	0	0	115.4	R308 G319 R320	R308-G322 WeakPolarHBondContact CG-O 3.43Å; G319-G322 PolarHBondContact O-N 3.46Å; R320-G322 PolarHBondContact O-N 2.81Å
323	F	95.5	Very high	93.6	Very high	5 Å²	5	63.9 Å²	63.9	2%	0.022	35%	0.349	C	S	.	.			trans	-71.2	153.4	175.4	-69.5	-79.6	0	0	0	111.8	A304 R308 G319 R320 R321 M327 H363 P364 I365	A304-F323 HydrophobicContact CB-CD1 4.38Å; A304-F323 HydrophobicContact CB-CE1 3.92Å; R308-F323 HydrophobicContact CB-CD1 3.98Å; R308-F323 HydrophobicContact CB-CE1 4.26Å; G319-F323 WeakPolarHBondContact CA-O 3.4Å; G319-F323 PolarHBondContact N-O 2.96Å; R320-F323 PolarHBondContact O-N 2.72Å; R321-F323 HydrophobicContact CB-CD2 4.27Å; R321-F323 HydrophobicContact CB-CE2 4.37Å; R321-F323 PolarHBondContact O-N 3.16Å; F323-M327 HydrophobicContact CB-CE 3.76Å; F323-M327 HydrophobicContact CB-SD 3.75Å; F323-M327 HydrophobicContact CD1-CE 4.17Å; F323-M327 HydrophobicContact CD1-SD 3.49Å; F323-M327 WeakPolarHBondContact CD1-SD 3.4Å; F323-M327 HydrophobicContact CD2-CE 4.29Å; F323-M327 HydrophobicContact CE1-SD 4.28Å; F323-M327 HydrophobicContact CG-CE 3.81Å; F323-M327 HydrophobicContact CG-SD 3.71Å; F323-H363 AromaticContact CE2-CE1 3.44Å; F323-H363 VanDerWaalsContact CE2-CE1 3.44Å; F323-H363 WeakPolarHBondContact CE2-CE1 3.23Å; F323-H363 AromaticContact CE2-NE2 3.89Å; F323-H363 AromaticContact CZ-CE1 3.69Å; F323-P364 HydrophobicContact CD2-CB 4.06Å; F323-P364 HydrophobicContact CD2-CG 4.02Å; F323-P364 HydrophobicContact CE2-CB 4.43Å; F323-P364 HydrophobicContact CE2-CG 4.3Å; F323-I365 HydrophobicContact CE1-CD1 4.13Å; F323-I365 HydrophobicContact CE1-CG1 4.28Å; F323-I365 HydrophobicContact CZ-CD1 3.76Å; F323-I365 HydrophobicContact CZ-CG1 4.04Å
324	P	95.3	Very high	94	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.039	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-63.1	147.5	178	18.2	-25.6	0	0	0	112.5	L307 Y326 M327	L307-P324 HydrophobicContact CD2-CG 3.9Å; L307-P324 HydrophobicContact CG-CG 3.84Å; P324-Y326 HydrophobicContact CB-CD1 3.93Å; P324-Y326 HydrophobicContact CB-CD2 4.12Å; P324-Y326 HydrophobicContact CB-CE1 3.53Å; P324-Y326 HydrophobicContact CB-CE2 3.74Å; P324-Y326 HydrophobicContact CB-CG 4.21Å; P324-Y326 VanDerWaalsContact CB-CZ 3.42Å; P324-Y326 HydrophobicContact CG-CD2 4.42Å; P324-Y326 HydrophobicContact CG-CE2 3.93Å; P324-Y326 PolarHBondContact O-N 3.14Å; P324-M327 HydrophobicContact CG-CB 4.33Å; P324-M327 WeakPolarHBondContact O-CB 3.03Å; P324-M327 PolarHBondContact O-N 3.4Å; P324-M327 VanDerWaalsContact O-N 3.14Å
325	G	94.4	Very high	94.6	Very high	66 Å²	66	59 Å²	59	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.8	177	0	0	0	0	0	114.2
326	Y	95.1	Very high	95	Very high	79 Å²	79	54.2 Å²	54.2	31%	0.31	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.3	178.2	53.9	-96.4	0	0	0	114.2	L307 E316 P324 Y328 T329 D330	L307-Y326 HydrophobicContact CD1-CE2 4.15Å; L307-Y326 HydrophobicContact CD2-CE2 4.3Å; L307-Y326 HydrophobicContact CG-CE2 4.24Å; E316-Y326 WeakPolarHBondContact OE2-CE1 3.5Å; E316-Y326 PolarHBondContact OE2-OH 3.14Å; P324-Y326 HydrophobicContact CB-CD1 3.93Å; P324-Y326 HydrophobicContact CB-CD2 4.12Å; P324-Y326 HydrophobicContact CB-CE1 3.53Å; P324-Y326 HydrophobicContact CB-CE2 3.74Å; P324-Y326 HydrophobicContact CB-CG 4.21Å; P324-Y326 VanDerWaalsContact CB-CZ 3.42Å; P324-Y326 HydrophobicContact CG-CD2 4.42Å; P324-Y326 HydrophobicContact CG-CE2 3.93Å; P324-Y326 PolarHBondContact O-N 3.14Å; Y326-Y328 PolarHBondContact O-N 2.76Å; Y326-Y328 VanDerWaalsContact O-N 3.14Å; Y326-T329 PolarHBondContact O-N 2.83Å; Y326-D330 HydrophobicContact CD2-CB 4.37Å; Y326-D330 PolarHBondContact O-N 3.02Å
327	M	95.8	Very high	95.2	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.03	30%	0.295	C	S	.	.	H	α-helix	trans	-54.9	-36.3	-178.1	-175.5	169.1	72	0	0	112.9	A304 L307 F323 P324 D330 L331 P364 L368	A304-M327 HydrophobicContact CB-SD 4.16Å; L307-M327 HydrophobicContact CD2-CG 4.39Å; F323-M327 HydrophobicContact CB-CE 3.76Å; F323-M327 HydrophobicContact CB-SD 3.75Å; F323-M327 HydrophobicContact CD1-CE 4.17Å; F323-M327 HydrophobicContact CD1-SD 3.49Å; F323-M327 WeakPolarHBondContact CD1-SD 3.4Å; F323-M327 HydrophobicContact CD2-CE 4.29Å; F323-M327 HydrophobicContact CE1-SD 4.28Å; F323-M327 HydrophobicContact CG-CE 3.81Å; F323-M327 HydrophobicContact CG-SD 3.71Å; P324-M327 HydrophobicContact CG-CB 4.33Å; P324-M327 WeakPolarHBondContact O-CB 3.03Å; P324-M327 PolarHBondContact O-N 3.4Å; P324-M327 VanDerWaalsContact O-N 3.14Å; M327-D330 PolarHBondContact O-N 3.3Å; M327-L331 HydrophobicContact CG-CD1 4.05Å; M327-L331 HydrophobicContact CG-CG 4.32Å; M327-L331 WeakPolarHBondContact O-CB 3.02Å; M327-L331 WeakPolarHBondContact O-CG 3.24Å; M327-L331 PolarHBondContact O-N 3.35Å; M327-P364 HydrophobicContact CE-CB 3.64Å; M327-L368 HydrophobicContact CB-CD1 4.18Å; M327-L368 HydrophobicContact CE-CD1 3.43Å; M327-L368 VanDerWaalsContact CE-CD1 3.43Å; M327-L368 HydrophobicContact CE-CG 4.39Å; M327-L368 HydrophobicContact CG-CD1 4.13Å
328	Y	97	Very high	95.2	Very high	109 Å²	109	46.4 Å²	46.4	43%	0.427	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-47.8	175.2	175.4	-98.5	0	0	0	112.1	Y326 A332 L368 I372	Y326-Y328 PolarHBondContact O-N 2.76Å; Y326-Y328 VanDerWaalsContact O-N 3.14Å; Y328-A332 WeakPolarHBondContact O-CB 3.48Å; Y328-A332 PolarHBondContact O-N 3.44Å; Y328-L368 HydrophobicContact CD2-CD2 4.05Å; Y328-I372 HydrophobicContact CD2-CD1 3.98Å; Y328-I372 HydrophobicContact CD2-CG1 4.02Å; Y328-I372 HydrophobicContact CE2-CD1 4.04Å; Y328-I372 HydrophobicContact CE2-CG1 3.54Å
329	T	96.8	Very high	95.1	Very high	88 Å²	88	42.7 Å²	42.7	54%	0.54	24%	0.235	S	C	.	.	H	α-helix	trans	-68	-41.5	-178.9	-55.7	0	0	0	0	110.3	Y326 A332 T333	Y326-T329 PolarHBondContact O-N 2.83Å; T329-A332 WeakPolarHBondContact O-CB 3.46Å; T329-A332 PolarHBondContact O-N 2.84Å; T329-T333 WeakPolarHBondContact O-CG2 3.29Å; T329-T333 PolarHBondContact O-N 2.95Å
330	D	95.9	Very high	95	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.128	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-45.3	-178.9	-167	67.1	0	0	0	112	R276 Y303 L307 Y326 M327 A332 T333	R276-D330 IonicContact CZ-OD1 3.53Å; R276-D330 IonicContact NH2-OD1 3.52Å; R276-D330 PolarHBondContact NH2-OD1 2.89Å; R276-D330 IonicContact NH2-OD2 2.88Å; Y303-D330 WeakPolarHBondContact CE1-OD2 3.46Å; Y303-D330 VanDerWaalsContact CZ-OD2 3.29Å; Y303-D330 PolarHBondContact OH-OD2 3.5Å; L307-D330 HydrophobicContact CD2-CB 4.1Å; L307-D330 VanDerWaalsContact CD2-OD2 3.3Å; L307-D330 WeakPolarHBondContact CD2-OD2 3.37Å; Y326-D330 HydrophobicContact CD2-CB 4.37Å; Y326-D330 PolarHBondContact O-N 3.02Å; M327-D330 PolarHBondContact O-N 3.3Å; D330-A332 VanDerWaalsContact C-N 3.31Å; D330-A332 PolarHBondContact O-N 3.05Å; D330-T333 PolarHBondContact O-N 2.85Å; D330-T333 PolarHBondContact O-OG1 2.91Å
331	L	97.1	Very high	95	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-38.7	171.3	-70.4	175.4	0	0	0	112.1	M300 Y303 M327 T333 I334 Y335 L368 I372	M300-L331 HydrophobicContact CE-CD2 3.5Å; M300-L331 VanDerWaalsContact CE-CD2 3.5Å; Y303-L331 HydrophobicContact CD1-CD2 4.16Å; Y303-L331 HydrophobicContact CE1-CD2 4.2Å; M327-L331 HydrophobicContact CG-CD1 4.05Å; M327-L331 HydrophobicContact CG-CG 4.32Å; M327-L331 WeakPolarHBondContact O-CB 3.02Å; M327-L331 WeakPolarHBondContact O-CG 3.24Å; M327-L331 PolarHBondContact O-N 3.35Å; L331-T333 VanDerWaalsContact C-N 3.32Å; L331-T333 PolarHBondContact O-N 3.26Å; L331-I334 PolarHBondContact O-N 3.27Å; L331-I334 VanDerWaalsContact O-N 3.15Å; L331-Y335 HydrophobicContact CB-CD2 4.21Å; L331-Y335 HydrophobicContact CB-CE2 3.99Å; L331-Y335 HydrophobicContact CD2-CE2 4.23Å; L331-Y335 WeakPolarHBondContact O-CD2 3.47Å; L331-Y335 PolarHBondContact O-N 3.45Å; L331-L368 HydrophobicContact CD1-CB 4.32Å; L331-I372 HydrophobicContact CB-CD1 3.76Å
332	A	96.9	Very high	95	Very high	20 Å²	20	37.7 Å²	37.7	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-36.8	177.9	0	0	0	0	0	112.3	Y328 T329 D330 I334 Y335 E336 I372	Y328-A332 WeakPolarHBondContact O-CB 3.48Å; Y328-A332 PolarHBondContact O-N 3.44Å; T329-A332 WeakPolarHBondContact O-CB 3.46Å; T329-A332 PolarHBondContact O-N 2.84Å; D330-A332 VanDerWaalsContact C-N 3.31Å; D330-A332 PolarHBondContact O-N 3.05Å; A332-I334 PolarHBondContact O-N 3.46Å; A332-Y335 PolarHBondContact O-N 3.03Å; A332-E336 VanDerWaalsContact O-CB 3.28Å; A332-E336 WeakPolarHBondContact O-CB 3.44Å; A332-E336 PolarHBondContact O-N 3.31Å; A332-I372 HydrophobicContact CB-CD1 4.11Å; A332-I372 HydrophobicContact CB-CG1 4.4Å; A332-I372 HydrophobicContact CB-CG2 4.34Å
333	T	96.5	Very high	94.7	Very high	66 Å²	66	39.7 Å²	39.7	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-24	176	63.5	0	0	0	0	113.6	T329 D330 L331 R337	T329-T333 WeakPolarHBondContact O-CG2 3.29Å; T329-T333 PolarHBondContact O-N 2.95Å; D330-T333 PolarHBondContact O-N 2.85Å; D330-T333 PolarHBondContact O-OG1 2.91Å; L331-T333 VanDerWaalsContact C-N 3.32Å; L331-T333 PolarHBondContact O-N 3.26Å; T333-R337 WeakPolarHBondContact O-CD 3.46Å; T333-R337 WeakPolarHBondContact O-CG 3.3Å
334	I	96.9	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-86.9	-54	176.5	-64.4	175.4	0	0	0	109.6	P275 L279 L297 M300 Y303 L331 A332 E336 R337 Q350	P275-I334 HydrophobicContact CB-CD1 4.23Å; P275-I334 HydrophobicContact CB-CG2 4.37Å; P275-I334 HydrophobicContact CG-CD1 3.87Å; L279-I334 HydrophobicContact CD1-CB 4.15Å; L279-I334 HydrophobicContact CD1-CG2 3.49Å; L279-I334 VanDerWaalsContact CD1-CG2 3.49Å; L279-I334 VanDerWaalsContact CD1-O 3.28Å; L279-I334 WeakPolarHBondContact CD1-O 3.34Å; L297-I334 HydrophobicContact CD1-CG2 3.72Å; M300-I334 HydrophobicContact CE-CD1 4.44Å; Y303-I334 HydrophobicContact CE1-CD1 3.98Å; Y303-I334 HydrophobicContact CE2-CD1 3.8Å; L331-I334 PolarHBondContact O-N 3.27Å; L331-I334 VanDerWaalsContact O-N 3.15Å; A332-I334 PolarHBondContact O-N 3.46Å; I334-E336 PolarHBondContact O-N 3.17Å; I334-R337 PolarHBondContact O-N 2.65Å; I334-Q350 PolarHBondContact O-NE2 2.75Å; I334-Q350 VanDerWaalsContact O-NE2 3.12Å
335	Y	97.1	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.1	-32.8	-172.4	-62.6	-33.7	0	0	0	113.9	K188 M300 L331 A332 R337 A338 P352 T369 I372 T373	K188-Y335 VanDerWaalsContact CD-O 3.29Å; K188-Y335 WeakPolarHBondContact CD-O 3.49Å; M300-Y335 HydrophobicContact CE-CE1 3.94Å; M300-Y335 WeakPolarHBondContact CE-OH 3.31Å; M300-Y335 HydrophobicContact CG-CE1 4.4Å; M300-Y335 WeakPolarHBondContact CG-OH 3.34Å; M300-Y335 HydrophobicContact SD-CE1 4.34Å; L331-Y335 HydrophobicContact CB-CD2 4.21Å; L331-Y335 HydrophobicContact CB-CE2 3.99Å; L331-Y335 HydrophobicContact CD2-CE2 4.23Å; L331-Y335 WeakPolarHBondContact O-CD2 3.47Å; L331-Y335 PolarHBondContact O-N 3.45Å; A332-Y335 PolarHBondContact O-N 3.03Å; Y335-R337 PolarHBondContact O-N 3.26Å; Y335-A338 PolarHBondContact O-N 2.66Å; Y335-P352 HydrophobicContact CD1-CB 4.37Å; Y335-P352 HydrophobicContact CD1-CG 4.05Å; Y335-P352 HydrophobicContact CE1-CB 3.54Å; Y335-P352 HydrophobicContact CE1-CG 3.57Å; Y335-T369 HydrophobicContact CE2-CG2 3.7Å; Y335-T369 PolarHBondContact OH-OG1 2.7Å; Y335-I372 HydrophobicContact CD2-CB 4.18Å; Y335-I372 HydrophobicContact CD2-CD1 4.22Å; Y335-I372 HydrophobicContact CD2-CG2 3.89Å; Y335-I372 HydrophobicContact CG-CG2 4.35Å; Y335-T373 HydrophobicContact CD2-CG2 4.08Å; Y335-T373 HydrophobicContact CE2-CG2 4.39Å; Y335-T373 HydrophobicContact CG-CG2 4.26Å
336	E	95.8	Very high	93.7	Very high	72 Å²	72	45.3 Å²	45.3	34%	0.336	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	1.6	-178.5	-70.9	-62.5	161.8	0	0	114.5	R163 K188 A332 I334 A338	R163-E336 PolarHBondContact NH1-O 3.33Å; R163-E336 IonicContact NH1-OE2 3.63Å; R163-E336 PolarHBondContact NH2-O 3.29Å; K188-E336 WeakPolarHBondContact CE-OE1 3.29Å; K188-E336 IonicContact NZ-OE1 3.79Å; K188-E336 PolarHBondContact NZ-OE1 3.08Å; K188-E336 IonicContact NZ-OE2 3.51Å; K188-E336 PolarHBondContact NZ-OE2 2.96Å; A332-E336 VanDerWaalsContact O-CB 3.28Å; A332-E336 WeakPolarHBondContact O-CB 3.44Å; A332-E336 PolarHBondContact O-N 3.31Å; I334-E336 PolarHBondContact O-N 3.17Å; E336-A338 VanDerWaalsContact C-N 3.25Å; E336-A338 PolarHBondContact O-N 3.12Å
337	R	95.5	Very high	93.6	Very high	16 Å²	16	41.6 Å²	41.6	6%	0.06	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.7	173.7	-66.7	175.1	67.4	173.8	7.3	113.2	I153 L279 T280 E283 T333 I334 Y335	I153-R337 PolarHBondContact O-NH1 3.31Å; L279-R337 VanDerWaalsContact CB-CZ 3.46Å; L279-R337 HydrophobicContact CD1-CB 4.38Å; T280-R337 VanDerWaalsContact CA-NH2 3.3Å; T280-R337 PolarHBondContact OG1-NH2 2.91Å; E283-R337 VanDerWaalsContact CD-NE 3.35Å; E283-R337 WeakPolarHBondContact OE1-CB 3.38Å; E283-R337 WeakPolarHBondContact OE1-CG 3.48Å; E283-R337 IonicContact OE1-CZ 3.93Å; E283-R337 IonicContact OE1-NE 3.31Å; E283-R337 PolarHBondContact OE1-NE 2.97Å; E283-R337 IonicContact OE1-NH2 3.99Å; E283-R337 PolarHBondContact OE1-NH2 3.42Å; E283-R337 IonicContact OE2-CZ 3.48Å; E283-R337 IonicContact OE2-NE 2.67Å; E283-R337 IonicContact OE2-NH2 2.81Å; E283-R337 PolarHBondContact OE2-NH2 2.97Å; T333-R337 WeakPolarHBondContact O-CD 3.46Å; T333-R337 WeakPolarHBondContact O-CG 3.3Å; I334-R337 PolarHBondContact O-N 2.65Å; Y335-R337 PolarHBondContact O-N 3.26Å
338	A	94.2	Very high	93.6	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	22%	0.223	C	C	.	.			trans	-74.9	154	173	0	0	0	0	0	112.4	R163 K188 Y335 E336 Q350	R163-A338 PolarHBondContact NH1-O 2.97Å; K188-A338 HydrophobicContact CB-CB 4.1Å; Y335-A338 PolarHBondContact O-N 2.66Å; E336-A338 VanDerWaalsContact C-N 3.25Å; E336-A338 PolarHBondContact O-N 3.12Å; A338-Q350 HydrophobicContact CB-CB 4.23Å; A338-Q350 HydrophobicContact CB-CG 3.78Å
339	G	92.9	Very high	93.5	Very high	7 Å²	7	36.3 Å²	36.3	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.3	-165.5	171.3	0	0	0	0	0	115.1	G186 I348	G186-G339 WeakPolarHBondContact O-CA 3.48Å; G186-G339 PolarHBondContact O-N 3.44Å; G339-I348 PolarHBondContact N-O 2.97Å; G339-I348 PolarHBondContact O-N 3.02Å
340	R	91.4	Very high	93.5	Very high	39 Å²	39	32.1 Å²	32.1	15%	0.147	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.7	175.2	-68.3	179.4	70.8	170.7	3.1	109.5	I164 E168	I164-R340 HydrophobicContact CB-CB 4.21Å; I164-R340 PolarHBondContact N-O 3.29Å; E168-R340 VanDerWaalsContact CD-NH1 3.31Å; E168-R340 IonicContact OE1-CZ 2.67Å; E168-R340 IonicContact OE1-NH1 2.79Å; E168-R340 PolarHBondContact OE1-NH1 3.15Å; E168-R340 IonicContact OE1-NH2 3.68Å; E168-R340 PolarHBondContact OE1-NH2 3.21Å; E168-R340 IonicContact OE2-NH1 2.67Å
341	V	91.4	Very high	93.5	Very high	17 Å²	17	31.1 Å²	31.1	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.3	179.5	-60.2	0	0	0	0	110.6	I158 C162 Y287 R344	I158-V341 HydrophobicContact CD1-CG1 4.2Å; I158-V341 HydrophobicContact CG2-CG1 3.72Å; C162-V341 WeakPolarHBondContact O-CA 3.48Å; Y287-V341 HydrophobicContact CD1-CG2 3.79Å; Y287-V341 HydrophobicContact CE1-CG1 3.97Å; Y287-V341 HydrophobicContact CE1-CG2 3.92Å; V341-R344 HydrophobicContact CG2-CB 3.72Å; V341-R344 HydrophobicContact CG2-CG 3.76Å; V341-R344 PolarHBondContact O-N 3Å
342	E	89.8	Confident	93.5	Very high	134 Å²	134	31.1 Å²	31.1	63%	0.626	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	136.3	176.9	-169.4	178.5	-167.6	0	0	111.1	C162 I164 R344	C162-E342 PolarHBondContact O-N 2.84Å; I164-E342 HydrophobicContact CD1-CB 4.09Å; I164-E342 HydrophobicContact CD1-CG 4.32Å; I164-E342 HydrophobicContact CG1-CB 4.06Å; E342-R344 VanDerWaalsContact C-N 3.33Å
343	G	87.5	Confident	93.5	Very high	75 Å²	75	30.1 Å²	30.1	77%	0.773	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	5.8	-179.8	0	0	0	0	0	115.4
344	R	89.4	Confident	93.5	Very high	115 Å²	115	27 Å²	27	43%	0.434	15%	0.146	S	C	.	.			trans	-130.8	142.7	171.5	-50.9	-172.5	-178.9	-161.2	5.4	110.8	Y287 V341 E342	Y287-R344 VanDerWaalsContact C-NH1 3.28Å; Y287-R344 WeakPolarHBondContact O-CD 3.35Å; Y287-R344 PolarHBondContact O-NH1 2.81Å; V341-R344 HydrophobicContact CG2-CB 3.72Å; V341-R344 HydrophobicContact CG2-CG 3.76Å; V341-R344 PolarHBondContact O-N 3Å; E342-R344 VanDerWaalsContact C-N 3.33Å
345	N	87.3	Confident	93.5	Very high	80 Å²	80	28.2 Å²	28.2	43%	0.428	15%	0.153	S	C	.	.			trans	-85.9	-21.8	-174.7	-61	-37.6	0	0	0	113.8	R185 E290 H292	R185-N345 PolarHBondContact NH2-O 2.8Å; E290-N345 HydrophobicContact CB-CB 4.41Å; E290-N345 PolarHBondContact OE2-ND2 3.1Å; H292-N345 PolarHBondContact CE1-O 2.97Å; H292-N345 PolarHBondContact ND1-O 2.67Å
346	G	87.8	Confident	93.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.			trans	-73.1	163.6	-179.8	0	0	0	0	0	114.2	A286 E290 K291	A286-G346 VanDerWaalsContact O-CA 3.3Å; A286-G346 WeakPolarHBondContact O-CA 3.35Å; E290-G346 WeakPolarHBondContact O-CA 3.37Å; K291-G346 WeakPolarHBondContact O-CA 3.32Å
347	S	92.2	Very high	93.3	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.8	-178.8	66.9	0	0	0	0	111.1	R185 K291 H292 V293	R185-S347 WeakPolarHBondContact CG-OG 3.3Å; R185-S347 PolarHBondContact NE-OG 3.18Å; R185-S347 PolarHBondContact NH2-OG 3.41Å; K291-S347 PolarHBondContact O-N 3.42Å; H292-S347 WeakPolarHBondContact CB-OG 3.48Å; V293-S347 PolarHBondContact N-O 3.26Å
348	I	95.6	Very high	93.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.1	174.3	-54.8	174.4	0	0	0	109	G186 E283 A286 Y287 V293 V295 G339 Q350	G186-I348 WeakPolarHBondContact CA-O 3.5Å; E283-I348 HydrophobicContact CB-CD1 4.22Å; E283-I348 HydrophobicContact CG-CD1 3.54Å; A286-I348 HydrophobicContact CB-CD1 3.99Å; A286-I348 HydrophobicContact CB-CG1 3.39Å; Y287-I348 HydrophobicContact CD2-CD1 4.36Å; Y287-I348 HydrophobicContact CE1-CD1 4.45Å; Y287-I348 HydrophobicContact CE2-CD1 3.67Å; V293-I348 WeakPolarHBondContact O-CA 3.42Å; V295-I348 HydrophobicContact CG2-CG2 3.76Å; G339-I348 PolarHBondContact N-O 2.97Å; G339-I348 PolarHBondContact O-N 3.02Å; I348-Q350 HydrophobicContact CG2-CG 4.31Å
349	T	95.4	Very high	93.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.9	170.4	-54.3	0	0	0	0	108.6	I170 I183 G186 Q187 V293 L294 V295	I170-T349 HydrophobicContact CD1-CG2 3.82Å; I170-T349 WeakPolarHBondContact CD1-OG1 3.34Å; I183-T349 HydrophobicContact CG2-CG2 4.29Å; G186-T349 PolarHBondContact N-OG1 2.93Å; Q187-T349 WeakPolarHBondContact O-CG2 3.44Å; V293-T349 PolarHBondContact O-N 3.38Å; L294-T349 HydrophobicContact CD1-CG2 4Å; V295-T349 PolarHBondContact N-O 3.19Å
350	Q	96.6	Very high	93.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.2	179.3	-71	-171.7	26.9	0	0	111.6	Q187 K188 I189 L279 V295 I334 A338 I348 P352	Q187-Q350 PolarHBondContact O-N 3.5Å; K188-Q350 HydrophobicContact CB-CB 4.35Å; I189-Q350 PolarHBondContact N-O 2.79Å; L279-Q350 HydrophobicContact CD2-CG 4.32Å; L279-Q350 VanDerWaalsContact CD2-NE2 3.3Å; V295-Q350 HydrophobicContact CB-CG 4.25Å; I334-Q350 PolarHBondContact O-NE2 2.75Å; I334-Q350 VanDerWaalsContact O-NE2 3.12Å; A338-Q350 HydrophobicContact CB-CB 4.23Å; A338-Q350 HydrophobicContact CB-CG 3.78Å; I348-Q350 HydrophobicContact CG2-CG 4.31Å; Q350-P352 VanDerWaalsContact C-CD 3.46Å; Q350-P352 WeakPolarHBondContact O-CD 3.21Å
351	I	96.7	Very high	93.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	80.9	170.1	-54.1	-178.6	0	0	0	109.1	I183 I189 I191 I206 L294 V295 I296 L297	I183-I351 HydrophobicContact CD1-CD1 4.39Å; I189-I351 HydrophobicContact CG2-CG1 4.3Å; I189-I351 WeakPolarHBondContact O-CA 3.16Å; I191-I351 HydrophobicContact CD1-CG2 3.72Å; I191-I351 HydrophobicContact CG1-CG2 3.81Å; I206-I351 HydrophobicContact CG2-CD1 3.83Å; L294-I351 HydrophobicContact CD1-CD1 3.8Å; L294-I351 HydrophobicContact CD1-CG1 3.97Å; V295-I351 PolarHBondContact O-N 2.97Å; I296-I351 HydrophobicContact CG1-CB 4.48Å; L297-I351 PolarHBondContact N-O 3.01Å
352	P	97.4	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.8	174	27.6	-30	0	0	0	111	P190 I191 L297 M300 Y335 Q350	P190-P352 CarbonylContact C-O 3.59Å; P190-P352 WeakPolarHBondContact CA-O 3.29Å; P190-P352 HydrophobicContact CB-CG 3.96Å; P190-P352 WeakPolarHBondContact CB-O 3.45Å; I191-P352 PolarHBondContact N-O 2.82Å; L297-P352 HydrophobicContact CB-CB 4.3Å; L297-P352 CarbonylContact O-C 3.47Å; L297-P352 WeakPolarHBondContact O-CA 3.33Å; M300-P352 HydrophobicContact CG-CB 3.94Å; Y335-P352 HydrophobicContact CD1-CB 4.37Å; Y335-P352 HydrophobicContact CD1-CG 4.05Å; Y335-P352 HydrophobicContact CE1-CB 3.54Å; Y335-P352 HydrophobicContact CE1-CG 3.57Å; Q350-P352 VanDerWaalsContact C-CD 3.46Å; Q350-P352 WeakPolarHBondContact O-CD 3.21Å
353	I	97.2	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132	179.3	-51.9	176.4	0	0	0	107.6	I191 H199 A203 I296 L297 M300	I191-I353 HydrophobicContact CB-CG1 4.32Å; I191-I353 HydrophobicContact CB-CG2 4.43Å; I191-I353 HydrophobicContact CD1-CG1 4.4Å; H199-I353 HydrophobicContact CB-CG2 4.24Å; A203-I353 HydrophobicContact CB-CD1 3.36Å; I296-I353 HydrophobicContact CG2-CD1 3.82Å; I296-I353 HydrophobicContact CG2-CG1 4.3Å; L297-I353 PolarHBondContact O-N 3.33Å; M300-I353 PolarHBondContact N-O 2.87Å
354	L	96.3	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.9	175.2	67.4	87.8	0	0	0	111.7	I191 F192 S193 D299 M300 M356 I365 P366 T369	I191-L354 PolarHBondContact O-N 3.36Å; F192-L354 HydrophobicContact CB-CD1 4.46Å; F192-L354 HydrophobicContact CD1-CD1 3.71Å; F192-L354 HydrophobicContact CD1-CD2 3.65Å; F192-L354 HydrophobicContact CD1-CG 3.62Å; F192-L354 HydrophobicContact CE1-CD1 4.17Å; F192-L354 HydrophobicContact CE1-CD2 3.42Å; F192-L354 VanDerWaalsContact CE1-CD2 3.42Å; F192-L354 HydrophobicContact CE1-CG 3.97Å; F192-L354 HydrophobicContact CG-CD1 4.09Å; F192-L354 HydrophobicContact CG-CG 4.45Å; F192-L354 HydrophobicContact CZ-CD2 4.33Å; S193-L354 PolarHBondContact N-O 2.92Å; D299-L354 VanDerWaalsContact OD1-CA 3.3Å; D299-L354 WeakPolarHBondContact OD1-CA 3.24Å; M300-L354 HydrophobicContact CB-CB 4.08Å; L354-M356 HydrophobicContact CD1-CG 3.66Å; L354-I365 HydrophobicContact CD2-CG2 4.29Å; L354-P366 HydrophobicContact CD1-CB 4.09Å; L354-T369 HydrophobicContact CD2-CG2 3.85Å
355	T	96.1	Very high	94.4	Very high	27 Å²	27	27.8 Å²	27.8	17%	0.166	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.1	171.4	60.9	0	0	0	0	110.6	S193 D299 S301 P357	S193-T355 CarbonylContact O-C 3.6Å; D299-T355 PolarHBondContact OD1-N 2.82Å; D299-T355 VanDerWaalsContact OD1-N 3.14Å; D299-T355 WeakPolarHBondContact OD2-CB 3.32Å; D299-T355 VanDerWaalsContact OD2-CG2 3.22Å; D299-T355 WeakPolarHBondContact OD2-CG2 3.41Å; D299-T355 PolarHBondContact OD2-OG1 3.3Å; S301-T355 WeakPolarHBondContact CB-O 3.18Å; S301-T355 PolarHBondContact OG-N 3.46Å; S301-T355 PolarHBondContact OG-O 2.99Å; T355-P357 WeakPolarHBondContact O-CD 3.14Å
356	M	95.3	Very high	94.8	Very high	5 Å²	5	24 Å²	24	3%	0.025	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.5	178.7	-58.5	179.4	-71.1	0	0	109.9	F192 S193 L354 N358 D359 I361 P366 Y378	F192-M356 HydrophobicContact CB-CE 4.08Å; F192-M356 HydrophobicContact CB-SD 4.02Å; F192-M356 HydrophobicContact CD2-SD 4.11Å; F192-M356 HydrophobicContact CG-SD 4.34Å; S193-M356 WeakPolarHBondContact O-CB 3.38Å; S193-M356 WeakPolarHBondContact O-CE 3.45Å; S193-M356 WeakPolarHBondContact O-CG 3.46Å; S193-M356 PolarHBondContact O-N 3.4Å; L354-M356 HydrophobicContact CD1-CG 3.66Å; M356-N358 PolarHBondContact O-N 2.69Å; M356-D359 PolarHBondContact O-N 2.67Å; M356-I361 HydrophobicContact SD-CB 4.27Å; M356-I361 HydrophobicContact SD-CG1 4.39Å; M356-P366 HydrophobicContact CG-CB 4.15Å; M356-P366 HydrophobicContact CG-CG 4.02Å; M356-P366 HydrophobicContact SD-CB 4.22Å; M356-P366 HydrophobicContact SD-CG 4.33Å; M356-Y378 HydrophobicContact CE-CD2 4.19Å; M356-Y378 HydrophobicContact CE-CE2 3.43Å; M356-Y378 VanDerWaalsContact CE-CE2 3.43Å; M356-Y378 HydrophobicContact SD-CE2 3.94Å
357	P	93.3	Very high	95.2	Very high	40 Å²	40	25.8 Å²	25.8	26%	0.26	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-63.9	130.5	173.7	-23.7	36.2	0	0	0	110.7	T355 D359 D360	T355-P357 WeakPolarHBondContact O-CD 3.14Å; P357-D359 PolarHBondContact O-N 2.98Å; P357-D360 WeakPolarHBondContact O-CB 3.36Å; P357-D360 PolarHBondContact O-N 3.01Å; P357-D360 VanDerWaalsContact O-N 3.12Å
358	N	92.1	Very high	95.4	Very high	155 Å²	155	27.4 Å²	27.4	83%	0.829	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	55.7	28	179.7	-54.2	-40	0	0	0	114.9	M356 D360	M356-N358 PolarHBondContact O-N 2.69Å; N358-D360 PolarHBondContact O-N 3.5Å; N358-D360 VanDerWaalsContact O-N 3.12Å
359	D	93.1	Very high	95.5	Very high	57 Å²	57	27.4 Å²	27.4	31%	0.305	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	57.4	23.2	-176.4	-49	-9.5	0	0	0	112.7	A194 M356 P357 I361 R381	A194-D359 WeakPolarHBondContact CB-OD1 3.41Å; M356-D359 PolarHBondContact O-N 2.67Å; P357-D359 PolarHBondContact O-N 2.98Å; D359-I361 PolarHBondContact O-N 2.84Å; D359-R381 IonicContact OD1-CZ 2.66Å; D359-R381 IonicContact OD1-NE 3.05Å; D359-R381 IonicContact OD1-NH2 2.72Å; D359-R381 PolarHBondContact OD1-NH2 3.36Å; D359-R381 IonicContact OD2-CZ 3.85Å; D359-R381 IonicContact OD2-NE 3.52Å; D359-R381 PolarHBondContact OD2-NE 3.04Å; D359-R381 IonicContact OD2-NH2 2.76Å
360	D	94.1	Very high	95.4	Very high	37 Å²	37	28 Å²	28	20%	0.198	16%	0.158	C	C	.	.			trans	-90.3	102.6	-174.7	177.8	15.6	0	0	0	112	R321 P357 N358 T362 H363	R321-D360 IonicContact CZ-OD2 3.45Å; R321-D360 IonicContact NH1-OD2 3.64Å; R321-D360 PolarHBondContact NH1-OD2 3.41Å; R321-D360 IonicContact NH2-OD2 3.03Å; R321-D360 PolarHBondContact NH2-OD2 2.85Å; P357-D360 WeakPolarHBondContact O-CB 3.36Å; P357-D360 PolarHBondContact O-N 3.01Å; P357-D360 VanDerWaalsContact O-N 3.12Å; N358-D360 PolarHBondContact O-N 3.5Å; N358-D360 VanDerWaalsContact O-N 3.12Å; D360-T362 PolarHBondContact O-N 3.37Å; D360-T362 WeakPolarHBondContact OD1-CA 3.44Å; D360-T362 WeakPolarHBondContact OD1-CB 3.43Å; D360-T362 PolarHBondContact OD1-N 3.21Å; D360-T362 PolarHBondContact OD1-OG1 3.31Å; D360-T362 PolarHBondContact OD2-OG1 3.49Å; D360-H363 HydrophobicContact CB-CB 4.45Å; D360-H363 WeakPolarHBondContact O-CB 3.32Å; D360-H363 PolarHBondContact O-N 2.97Å; D360-H363 VanDerWaalsContact O-N 3.14Å
361	I	94	Very high	95.4	Very high	69 Å²	69	34.9 Å²	34.9	35%	0.354	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.1	176.3	-161.6	172.9	0	0	0	113.3	F192 M356 D359 H363 P366 Y378	F192-I361 HydrophobicContact CD2-CG1 4.37Å; F192-I361 HydrophobicContact CE2-CG1 4.44Å; M356-I361 HydrophobicContact SD-CB 4.27Å; M356-I361 HydrophobicContact SD-CG1 4.39Å; D359-I361 PolarHBondContact O-N 2.84Å; I361-H363 VanDerWaalsContact C-N 3.26Å; I361-H363 PolarHBondContact O-N 2.95Å; I361-P366 WeakPolarHBondContact O-CG 3.36Å; I361-Y378 HydrophobicContact CB-CE2 4.39Å; I361-Y378 HydrophobicContact CD1-CD2 4.15Å; I361-Y378 HydrophobicContact CD1-CE2 3.88Å; I361-Y378 HydrophobicContact CG1-CE2 4.3Å
362	T	94.6	Very high	95.4	Very high	85 Å²	85	35.2 Å²	35.2	52%	0.521	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.7	178.1	75.5	0	0	0	0	112.8	R320 D360	R320-T362 PolarHBondContact NH2-O 3.24Å; R320-T362 VanDerWaalsContact NH2-O 3.13Å; D360-T362 PolarHBondContact O-N 3.37Å; D360-T362 WeakPolarHBondContact OD1-CA 3.44Å; D360-T362 WeakPolarHBondContact OD1-CB 3.43Å; D360-T362 PolarHBondContact OD1-N 3.21Å; D360-T362 PolarHBondContact OD1-OG1 3.31Å; D360-T362 PolarHBondContact OD2-OG1 3.49Å
363	H	96.3	Very high	95.3	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.06	19%	0.187	C	C	.	.	S	Bend	trans	-57.1	142.6	174.3	-171.8	-80.4	0	0	0	110.4	R321 F323 D360 I361 I365 P366 D367	R321-H363 PolarHBondContact NH1-CD2 3.34Å; F323-H363 AromaticContact CE2-CE1 3.44Å; F323-H363 VanDerWaalsContact CE2-CE1 3.44Å; F323-H363 WeakPolarHBondContact CE2-CE1 3.23Å; F323-H363 AromaticContact CE2-NE2 3.89Å; F323-H363 AromaticContact CZ-CE1 3.69Å; D360-H363 HydrophobicContact CB-CB 4.45Å; D360-H363 WeakPolarHBondContact O-CB 3.32Å; D360-H363 PolarHBondContact O-N 2.97Å; D360-H363 VanDerWaalsContact O-N 3.14Å; I361-H363 VanDerWaalsContact C-N 3.26Å; I361-H363 PolarHBondContact O-N 2.95Å; H363-I365 VanDerWaalsContact CE1-CD1 3.49Å; H363-I365 WeakPolarHBondContact CE1-CD1 3.48Å; H363-I365 PolarHBondContact ND1-N 3.41Å; H363-I365 PolarHBondContact O-N 3.04Å; H363-I365 VanDerWaalsContact O-N 3.07Å; H363-P366 HydrophobicContact CB-CG 3.82Å; H363-P366 WeakPolarHBondContact O-CD 2.85Å; H363-P366 VanDerWaalsContact O-CG 3.29Å; H363-P366 WeakPolarHBondContact O-CG 3.45Å; H363-D367 VanDerWaalsContact O-CB 3.24Å; H363-D367 WeakPolarHBondContact O-CB 3.24Å; H363-D367 PolarHBondContact O-N 3.05Å
364	P	95.7	Very high	95.3	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-47.3	-37.9	179.1	-27.8	29.1	0	0	0	115.8	R320 R321 F323 M327 L368	R320-P364 HydrophobicContact CB-CG 4.37Å; R320-P364 HydrophobicContact CG-CG 4.28Å; R321-P364 HydrophobicContact CB-CG 4.16Å; R321-P364 HydrophobicContact CG-CG 4.18Å; F323-P364 HydrophobicContact CD2-CB 4.06Å; F323-P364 HydrophobicContact CD2-CG 4.02Å; F323-P364 HydrophobicContact CE2-CB 4.43Å; F323-P364 HydrophobicContact CE2-CG 4.3Å; M327-P364 HydrophobicContact CE-CB 3.64Å; P364-L368 VanDerWaalsContact O-CB 3.31Å; P364-L368 WeakPolarHBondContact O-CB 3.44Å; P364-L368 WeakPolarHBondContact O-CG 3.41Å; P364-L368 PolarHBondContact O-N 3.12Å
365	I	95.7	Very high	95.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-60.3	-177.7	-58.4	165.3	0	0	0	112.1	A304 F323 L354 H363 T369	A304-I365 HydrophobicContact CB-CD1 3.85Å; A304-I365 HydrophobicContact CB-CG1 3.84Å; F323-I365 HydrophobicContact CE1-CD1 4.13Å; F323-I365 HydrophobicContact CE1-CG1 4.28Å; F323-I365 HydrophobicContact CZ-CD1 3.76Å; F323-I365 HydrophobicContact CZ-CG1 4.04Å; L354-I365 HydrophobicContact CD2-CG2 4.29Å; H363-I365 VanDerWaalsContact CE1-CD1 3.49Å; H363-I365 WeakPolarHBondContact CE1-CD1 3.48Å; H363-I365 PolarHBondContact ND1-N 3.41Å; H363-I365 PolarHBondContact O-N 3.04Å; H363-I365 VanDerWaalsContact O-N 3.07Å; I365-T369 WeakPolarHBondContact O-CB 3.42Å; I365-T369 PolarHBondContact O-N 2.94Å; I365-T369 PolarHBondContact O-OG1 3.48Å
366	P	96.4	Very high	95.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-37.3	176.2	22.9	-33.6	0	0	0	112.9	F192 L354 M356 I361 H363 T369 G370	F192-P366 HydrophobicContact CD2-CB 3.97Å; F192-P366 HydrophobicContact CE1-CB 4.47Å; F192-P366 HydrophobicContact CE2-CB 3.57Å; F192-P366 HydrophobicContact CZ-CB 3.86Å; F192-P366 WeakPolarHBondContact CZ-O 3.43Å; L354-P366 HydrophobicContact CD1-CB 4.09Å; M356-P366 HydrophobicContact CG-CB 4.15Å; M356-P366 HydrophobicContact CG-CG 4.02Å; M356-P366 HydrophobicContact SD-CB 4.22Å; M356-P366 HydrophobicContact SD-CG 4.33Å; I361-P366 WeakPolarHBondContact O-CG 3.36Å; H363-P366 HydrophobicContact CB-CG 3.82Å; H363-P366 WeakPolarHBondContact O-CD 2.85Å; H363-P366 VanDerWaalsContact O-CG 3.29Å; H363-P366 WeakPolarHBondContact O-CG 3.45Å; P366-T369 PolarHBondContact O-N 2.8Å; P366-G370 PolarHBondContact O-N 3.13Å
367	D	95.8	Very high	95.3	Very high	37 Å²	37	37.6 Å²	37.6	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-51	179.4	-171.2	29.6	0	0	0	111.3	R320 H363 T369 G370 Y371	R320-D367 IonicContact CZ-OD2 3.62Å; R320-D367 IonicContact NH1-OD2 2.77Å; R320-D367 PolarHBondContact NH1-OD2 2.91Å; R320-D367 VanDerWaalsContact NH1-OD2 3.12Å; R320-D367 IonicContact NH2-OD2 3.62Å; R320-D367 PolarHBondContact NH2-OD2 3.36Å; H363-D367 VanDerWaalsContact O-CB 3.24Å; H363-D367 WeakPolarHBondContact O-CB 3.24Å; H363-D367 PolarHBondContact O-N 3.05Å; D367-T369 PolarHBondContact O-N 2.95Å; D367-G370 PolarHBondContact O-N 3.02Å; D367-Y371 WeakPolarHBondContact O-CD2 3.5Å; D367-Y371 PolarHBondContact O-N 3.35Å; D367-Y371 VanDerWaalsContact OD1-CE2 3.25Å; D367-Y371 WeakPolarHBondContact OD1-CE2 3.4Å; D367-Y371 VanDerWaalsContact OD1-CZ 3.29Å; D367-Y371 PolarHBondContact OD1-OH 2.86Å
368	L	96.4	Very high	95.5	Very high	35 Å²	35	37.2 Å²	37.2	18%	0.183	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-37.3	176.4	-64.7	-173.8	0	0	0	112.5	M327 Y328 L331 P364 Y371 I372	M327-L368 HydrophobicContact CB-CD1 4.18Å; M327-L368 HydrophobicContact CE-CD1 3.43Å; M327-L368 VanDerWaalsContact CE-CD1 3.43Å; M327-L368 HydrophobicContact CE-CG 4.39Å; M327-L368 HydrophobicContact CG-CD1 4.13Å; Y328-L368 HydrophobicContact CD2-CD2 4.05Å; L331-L368 HydrophobicContact CD1-CB 4.32Å; P364-L368 VanDerWaalsContact O-CB 3.31Å; P364-L368 WeakPolarHBondContact O-CB 3.44Å; P364-L368 WeakPolarHBondContact O-CG 3.41Å; P364-L368 PolarHBondContact O-N 3.12Å; L368-Y371 HydrophobicContact CD2-CD2 4.22Å; L368-Y371 PolarHBondContact O-N 3.42Å; L368-I372 WeakPolarHBondContact O-CD1 3.16Å; L368-I372 WeakPolarHBondContact O-CG1 3.4Å; L368-I372 PolarHBondContact O-N 2.95Å
369	T	96.6	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-46.5	176.5	-59.7	0	0	0	0	110.4	P190 F192 Y335 L354 I365 P366 D367 Y371 I372 T373	P190-T369 HydrophobicContact CB-CG2 3.96Å; P190-T369 HydrophobicContact CG-CG2 3.99Å; F192-T369 HydrophobicContact CE1-CG2 3.95Å; F192-T369 HydrophobicContact CZ-CG2 4.35Å; Y335-T369 HydrophobicContact CE2-CG2 3.7Å; Y335-T369 PolarHBondContact OH-OG1 2.7Å; L354-T369 HydrophobicContact CD2-CG2 3.85Å; I365-T369 WeakPolarHBondContact O-CB 3.42Å; I365-T369 PolarHBondContact O-N 2.94Å; I365-T369 PolarHBondContact O-OG1 3.48Å; P366-T369 PolarHBondContact O-N 2.8Å; D367-T369 PolarHBondContact O-N 2.95Å; T369-Y371 VanDerWaalsContact C-N 3.25Å; T369-Y371 PolarHBondContact O-N 3.48Å; T369-I372 PolarHBondContact O-N 2.94Å; T369-T373 HydrophobicContact CG2-CG2 3.8Å; T369-T373 PolarHBondContact O-N 3.42Å; T369-T373 PolarHBondContact O-OG1 2.85Å
370	G	94.4	Very high	95.9	Very high	15 Å²	15	28.3 Å²	28.3	16%	0.155	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-22.6	178.8	0	0	0	0	0	114.8	P366 D367	P366-G370 PolarHBondContact O-N 3.13Å; D367-G370 PolarHBondContact O-N 3.02Å
371	Y	95.8	Very high	95.9	Very high	145 Å²	145	30.2 Å²	30.2	57%	0.569	15%	0.147	S	C	*	.	H	α-helix	trans	-74	-31.1	170.1	-69.3	-45.4	0	0	0	113.3	D367 L368 T369	D367-Y371 WeakPolarHBondContact O-CD2 3.5Å; D367-Y371 PolarHBondContact O-N 3.35Å; D367-Y371 VanDerWaalsContact OD1-CE2 3.25Å; D367-Y371 WeakPolarHBondContact OD1-CE2 3.4Å; D367-Y371 VanDerWaalsContact OD1-CZ 3.29Å; D367-Y371 PolarHBondContact OD1-OH 2.86Å; L368-Y371 HydrophobicContact CD2-CD2 4.22Å; L368-Y371 PolarHBondContact O-N 3.42Å; T369-Y371 VanDerWaalsContact C-N 3.25Å; T369-Y371 PolarHBondContact O-N 3.48Å
372	I	96.6	Very high	95.9	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-90.6	-43.8	-175.6	-59.2	161.1	0	0	0	110.6	K188 Y328 L331 A332 Y335 L368 T369	K188-I372 WeakPolarHBondContact CE-O 3.49Å; Y328-I372 HydrophobicContact CD2-CD1 3.98Å; Y328-I372 HydrophobicContact CD2-CG1 4.02Å; Y328-I372 HydrophobicContact CE2-CD1 4.04Å; Y328-I372 HydrophobicContact CE2-CG1 3.54Å; L331-I372 HydrophobicContact CB-CD1 3.76Å; A332-I372 HydrophobicContact CB-CD1 4.11Å; A332-I372 HydrophobicContact CB-CG1 4.4Å; A332-I372 HydrophobicContact CB-CG2 4.34Å; Y335-I372 HydrophobicContact CD2-CB 4.18Å; Y335-I372 HydrophobicContact CD2-CD1 4.22Å; Y335-I372 HydrophobicContact CD2-CG2 3.89Å; Y335-I372 HydrophobicContact CG-CG2 4.35Å; L368-I372 WeakPolarHBondContact O-CD1 3.16Å; L368-I372 WeakPolarHBondContact O-CG1 3.4Å; L368-I372 PolarHBondContact O-N 2.95Å; T369-I372 PolarHBondContact O-N 2.94Å
373	T	96.3	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.136	C	C	.	.	S	Bend	trans	-82.1	164.6	-175.5	63	0	0	0	0	112.6	P190 Y335 T369 G375	P190-T373 VanDerWaalsContact CD-OG1 3.31Å; P190-T373 WeakPolarHBondContact CD-OG1 3.09Å; P190-T373 HydrophobicContact CG-CG2 4.21Å; P190-T373 WeakPolarHBondContact CG-OG1 3.5Å; Y335-T373 HydrophobicContact CD2-CG2 4.08Å; Y335-T373 HydrophobicContact CE2-CG2 4.39Å; Y335-T373 HydrophobicContact CG-CG2 4.26Å; T369-T373 HydrophobicContact CG2-CG2 3.8Å; T369-T373 PolarHBondContact O-N 3.42Å; T369-T373 PolarHBondContact O-OG1 2.85Å; T373-G375 VanDerWaalsContact C-N 3.27Å; T373-G375 PolarHBondContact O-N 3.26Å; T373-G375 PolarHBondContact OG1-O 3.45Å
374	E	95.6	Very high	95.9	Very high	46 Å²	46	32 Å²	32	22%	0.215	15%	0.148	C	C	.	.	S	Bend	trans	-96.3	38.7	-170.6	-69.1	152.5	-169.6	0	0	112	Q187 K188 R400 L401	Q187-E374 HydrophobicContact CG-CB 4.29Å; Q187-E374 WeakPolarHBondContact CG-OE2 3.36Å; Q187-E374 PolarHBondContact NE2-O 2.78Å; K188-E374 HydrophobicContact CG-CG 4.21Å; K188-E374 IonicContact NZ-OE1 2.7Å; K188-E374 PolarHBondContact NZ-OE1 3.11Å; K188-E374 PolarHBondContact O-N 3.48Å; K188-E374 VanDerWaalsContact O-N 3.11Å; E374-R400 HydrophobicContact CB-CB 4.42Å; E374-R400 WeakPolarHBondContact O-CB 3.5Å; E374-R400 WeakPolarHBondContact O-CG 3.13Å; E374-R400 PolarHBondContact O-N 2.79Å; E374-L401 VanDerWaalsContact OE2-CD1 3.31Å; E374-L401 WeakPolarHBondContact OE2-CD1 3.22Å
375	G	95.1	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.4	-170.5	-170.8	0	0	0	0	0	112.2	P190 T373 L398	P190-G375 WeakPolarHBondContact CD-O 3.42Å; P190-G375 WeakPolarHBondContact CG-O 3.46Å; T373-G375 VanDerWaalsContact C-N 3.27Å; T373-G375 PolarHBondContact O-N 3.26Å; T373-G375 PolarHBondContact OG1-O 3.45Å; G375-L398 CarbonylContact C-O 3.38Å; G375-L398 WeakPolarHBondContact CA-O 3.44Å
376	Q	96.8	Very high	95.8	Very high	35 Å²	35	42.5 Å²	42.5	16%	0.164	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	148.3	176.5	65.5	-78.6	-4.5	0	0	110.7	P190 F192 P396 S397 L398	P190-Q376 HydrophobicContact CG-CB 3.89Å; F192-Q376 HydrophobicContact CD1-CB 4.28Å; F192-Q376 HydrophobicContact CD2-CB 4.16Å; F192-Q376 HydrophobicContact CD2-CG 4.15Å; F192-Q376 HydrophobicContact CE1-CB 4.14Å; F192-Q376 HydrophobicContact CE2-CB 4.03Å; F192-Q376 HydrophobicContact CE2-CG 4.07Å; F192-Q376 HydrophobicContact CG-CB 4.28Å; F192-Q376 HydrophobicContact CZ-CB 4.02Å; Q376-P396 PolarHBondContact NE2-O 3.07Å; Q376-S397 CarbonylContact O-C 2.88Å; Q376-S397 VanDerWaalsContact O-CA 3.22Å; Q376-S397 WeakPolarHBondContact O-CA 3.46Å; Q376-L398 PolarHBondContact N-O 3.41Å; Q376-L398 PolarHBondContact O-N 3.08Å
377	I	97.4	Very high	95.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.3	167.9	-63.1	168.9	0	0	0	107.4	I177 I183 I189 P190 I191 F192 I392	I177-I377 HydrophobicContact CD1-CD1 3.83Å; I177-I377 HydrophobicContact CG1-CD1 3.96Å; I177-I377 HydrophobicContact CG2-CD1 4.08Å; I183-I377 HydrophobicContact CD1-CD1 4.28Å; I189-I377 HydrophobicContact CD1-CD1 4.05Å; I189-I377 HydrophobicContact CD1-CG1 3.88Å; I189-I377 HydrophobicContact CG1-CD1 4.39Å; I189-I377 HydrophobicContact CG1-CG1 4.22Å; P190-I377 PolarHBondContact O-N 2.86Å; I191-I377 CarbonylContact C-O 3.59Å; I191-I377 WeakPolarHBondContact CA-O 3.2Å; I191-I377 HydrophobicContact CG1-CB 4.32Å; I191-I377 HydrophobicContact CG1-CD1 4.42Å; F192-I377 PolarHBondContact N-O 2.77Å; I377-I392 HydrophobicContact CG2-CD1 4.17Å; I377-I392 HydrophobicContact CG2-CG1 4.25Å; I377-I392 HydrophobicContact CG2-CG2 3.97Å
378	Y	97.4	Very high	95.6	Very high	32 Å²	32	49.9 Å²	49.9	13%	0.125	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115	-174.6	-164.8	-86	0	0	0	111.1	F192 M356 I361 D380 N393 P396 S397	F192-Y378 HydrophobicContact CB-CD2 4.13Å; F192-Y378 HydrophobicContact CD2-CD2 4.43Å; M356-Y378 HydrophobicContact CE-CD2 4.19Å; M356-Y378 HydrophobicContact CE-CE2 3.43Å; M356-Y378 VanDerWaalsContact CE-CE2 3.43Å; M356-Y378 HydrophobicContact SD-CE2 3.94Å; I361-Y378 HydrophobicContact CB-CE2 4.39Å; I361-Y378 HydrophobicContact CD1-CD2 4.15Å; I361-Y378 HydrophobicContact CD1-CE2 3.88Å; I361-Y378 HydrophobicContact CG1-CE2 4.3Å; Y378-D380 HydrophobicContact CD1-CB 4.26Å; Y378-D380 HydrophobicContact CE1-CB 4.3Å; Y378-N393 HydrophobicContact CD1-CB 4.24Å; Y378-N393 PolarHBondContact O-N 2.84Å; Y378-P396 HydrophobicContact CD1-CG 3.71Å; Y378-P396 HydrophobicContact CD2-CB 4.34Å; Y378-P396 HydrophobicContact CD2-CG 4.18Å; Y378-P396 HydrophobicContact CE1-CG 4.37Å; Y378-P396 HydrophobicContact CG-CB 4.21Å; Y378-P396 HydrophobicContact CG-CG 3.6Å; Y378-S397 PolarHBondContact N-OG 2.98Å
379	V	97	Very high	95.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-90	121.7	175	-170.5	0	0	0	0	108.6	I191 F192 L197 I202 P391	I191-V379 HydrophobicContact CG2-CG2 3.57Å; F192-V379 PolarHBondContact O-N 3.29Å; L197-V379 HydrophobicContact CB-CG1 4.15Å; L197-V379 HydrophobicContact CD1-CB 4.4Å; L197-V379 HydrophobicContact CD1-CG1 4.03Å; L197-V379 WeakPolarHBondContact CD1-O 3.23Å; I202-V379 HydrophobicContact CD1-CG1 4.19Å; I202-V379 HydrophobicContact CD1-CG2 4.06Å; V379-P391 CarbonylContact C-O 3.51Å; V379-P391 WeakPolarHBondContact CA-O 3.22Å; V379-P391 HydrophobicContact CG1-CG 3.79Å
380	D	95.4	Very high	95.5	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.118	23%	0.228	C	C	.	.			trans	-109.3	130.9	-168.7	-173.3	-0.8	0	0	0	112.5	Y378 Q382 L383 H384 P391 N393	Y378-D380 HydrophobicContact CD1-CB 4.26Å; Y378-D380 HydrophobicContact CE1-CB 4.3Å; D380-Q382 VanDerWaalsContact C-N 3.31Å; D380-Q382 PolarHBondContact O-N 3.05Å; D380-Q382 PolarHBondContact OD1-N 2.9Å; D380-L383 HydrophobicContact CB-CD1 4.35Å; D380-L383 HydrophobicContact CB-CG 4.39Å; D380-L383 PolarHBondContact O-N 3.31Å; D380-H384 PolarHBondContact O-N 2.99Å; D380-P391 PolarHBondContact N-O 2.74Å; D380-N393 HydrophobicContact CB-CB 3.61Å; D380-N393 PolarHBondContact OD2-ND2 3.33Å
381	R	95.2	Very high	95.6	Very high	77 Å²	77	49.4 Å²	49.4	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-32.8	177.3	-171	178.7	-60.6	-81.5	-1.4	112.6	A195 L197 D359 L383 H384 N385	A195-R381 PolarHBondContact O-NH1 2.88Å; A195-R381 PolarHBondContact O-NH2 3.34Å; L197-R381 HydrophobicContact CD1-CB 4.45Å; L197-R381 HydrophobicContact CD2-CB 4.02Å; L197-R381 HydrophobicContact CD2-CG 4.15Å; D359-R381 IonicContact OD1-CZ 2.66Å; D359-R381 IonicContact OD1-NE 3.05Å; D359-R381 IonicContact OD1-NH2 2.72Å; D359-R381 PolarHBondContact OD1-NH2 3.36Å; D359-R381 IonicContact OD2-CZ 3.85Å; D359-R381 IonicContact OD2-NE 3.52Å; D359-R381 PolarHBondContact OD2-NE 3.04Å; D359-R381 IonicContact OD2-NH2 2.76Å; R381-L383 PolarHBondContact O-N 2.91Å; R381-H384 PolarHBondContact O-N 2.65Å; R381-N385 VanDerWaalsContact O-CG 3.28Å; R381-N385 PolarHBondContact O-N 2.85Å
382	Q	94.1	Very high	95.6	Very high	138 Å²	138	42.5 Å²	42.5	65%	0.645	19%	0.193	S	C	*	.	H	α-helix	trans	-65.4	-40.8	-178.6	-64.5	-171.3	-0.1	0	0	112.2	D380 R386	D380-Q382 VanDerWaalsContact C-N 3.31Å; D380-Q382 PolarHBondContact O-N 3.05Å; D380-Q382 PolarHBondContact OD1-N 2.9Å; Q382-R386 WeakPolarHBondContact O-CG 3.4Å
383	L	94.5	Very high	95.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-68.7	-40.6	175.5	-64	178.3	0	0	0	110.8	D380 R381 N385 R386 I388 P391 I392 N393 E459	D380-L383 HydrophobicContact CB-CD1 4.35Å; D380-L383 HydrophobicContact CB-CG 4.39Å; D380-L383 PolarHBondContact O-N 3.31Å; R381-L383 PolarHBondContact O-N 2.91Å; L383-N385 PolarHBondContact O-N 2.74Å; L383-R386 PolarHBondContact O-N 2.88Å; L383-R386 VanDerWaalsContact O-N 3.13Å; L383-I388 HydrophobicContact CB-CB 4.41Å; L383-I388 HydrophobicContact CD2-CD1 3.89Å; L383-I388 WeakPolarHBondContact O-CB 3.45Å; L383-I388 PolarHBondContact O-N 3.13Å; L383-P391 HydrophobicContact CB-CB 3.77Å; L383-I392 WeakPolarHBondContact CD1-O 3.34Å; L383-N393 HydrophobicContact CD1-CB 4.23Å; L383-E459 HydrophobicContact CD2-CG 4.37Å
384	H	95.8	Very high	95.5	Very high	65 Å²	65	43 Å²	43	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-61.7	-44.7	178.3	-173.9	57.2	0	0	0	112.7	L197 D380 R381 R386 Q387 P391	L197-H384 HydrophobicContact CD2-CB 3.84Å; D380-H384 PolarHBondContact O-N 2.99Å; R381-H384 PolarHBondContact O-N 2.65Å; H384-R386 PolarHBondContact O-N 3.23Å; H384-R386 VanDerWaalsContact O-N 3.13Å; H384-Q387 PolarHBondContact O-N 3.33Å; H384-P391 HydrophobicContact CB-CB 3.84Å; H384-P391 HydrophobicContact CB-CG 3.92Å
385	N	95.2	Very high	95.4	Very high	118 Å²	118	43 Å²	43	63%	0.631	20%	0.197	S	C	*	.	H	α-helix	trans	-61.4	-23	177.3	-71.9	-7.9	0	0	0	113.1	R381 L383 Q387	R381-N385 VanDerWaalsContact O-CG 3.28Å; R381-N385 PolarHBondContact O-N 2.85Å; L383-N385 PolarHBondContact O-N 2.74Å; N385-Q387 VanDerWaalsContact C-N 3.28Å
386	R	94.4	Very high	95.4	Very high	110 Å²	110	45 Å²	45	42%	0.415	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	10.4	175.5	-68.5	172.6	58.8	-158	-6.9	113.3	Q382 L383 H384 I388 E459	Q382-R386 WeakPolarHBondContact O-CG 3.4Å; L383-R386 PolarHBondContact O-N 2.88Å; L383-R386 VanDerWaalsContact O-N 3.13Å; H384-R386 PolarHBondContact O-N 3.23Å; H384-R386 VanDerWaalsContact O-N 3.13Å; R386-I388 HydrophobicContact CB-CD1 4.1Å; R386-I388 HydrophobicContact CB-CG1 4.4Å; R386-I388 PolarHBondContact O-N 3.27Å; R386-E459 IonicContact CZ-OE2 3.02Å; R386-E459 IonicContact NH1-OE1 3.12Å; R386-E459 PolarHBondContact NH1-OE1 3.19Å; R386-E459 IonicContact NH1-OE2 3.84Å; R386-E459 PolarHBondContact NH1-OE2 2.87Å; R386-E459 IonicContact NH2-OE2 3.8Å; R386-E459 PolarHBondContact NH2-OE2 3.13Å
387	Q	94.1	Very high	95.4	Very high	184 Å²	184	43.5 Å²	43.5	86%	0.86	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	30.4	-179.7	-56.2	179.6	-30.6	0	0	113.4	H384 N385	H384-Q387 PolarHBondContact O-N 3.33Å; N385-Q387 VanDerWaalsContact C-N 3.28Å
388	I	94.4	Very high	95.3	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.051	22%	0.224	C	C	.	.			trans	-88.1	129.4	172.4	-65.7	161.4	0	0	0	108.3	L383 R386 E459 I463	L383-I388 HydrophobicContact CB-CB 4.41Å; L383-I388 HydrophobicContact CD2-CD1 3.89Å; L383-I388 WeakPolarHBondContact O-CB 3.45Å; L383-I388 PolarHBondContact O-N 3.13Å; R386-I388 HydrophobicContact CB-CD1 4.1Å; R386-I388 HydrophobicContact CB-CG1 4.4Å; R386-I388 PolarHBondContact O-N 3.27Å; I388-E459 HydrophobicContact CD1-CB 3.97Å; I388-I463 HydrophobicContact CG2-CG2 4.01Å
389	Y	94.9	Very high	95.2	Very high	40 Å²	40	46.3 Å²	46.3	16%	0.157	22%	0.221	C	C	.	.	S	Bend	trans	-130.8	136	175.7	179.7	-84.1	0	0	0	110.6	P198 E201 I202 Q205 T464 Q465 P467	P198-Y389 HydrophobicContact CB-CE2 4.39Å; P198-Y389 HydrophobicContact CG-CD2 4.36Å; P198-Y389 HydrophobicContact CG-CE2 4.49Å; E201-Y389 HydrophobicContact CB-CE2 4.14Å; E201-Y389 PolarHBondContact O-OH 3.03Å; I202-Y389 HydrophobicContact CG1-CE2 4.38Å; Q205-Y389 PolarHBondContact OE1-OH 3.47Å; Y389-T464 CarbonylContact O-C 3.6Å; Y389-T464 VanDerWaalsContact O-CA 3.24Å; Y389-T464 WeakPolarHBondContact O-CA 3.07Å; Y389-Q465 VanDerWaalsContact CD1-O 3.3Å; Y389-Q465 WeakPolarHBondContact CD1-O 3.48Å; Y389-Q465 PolarHBondContact O-N 3.44Å; Y389-P467 HydrophobicContact CE1-CB 3.77Å
390	P	94.6	Very high	95	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.245	C	C	.	.	S	Bend	cis	-71.4	138.6	-11.4	30	-35.9	0	0	0	111.1	I174 I202 I392 I463	I174-P390 HydrophobicContact CG2-CG 3.75Å; I202-P390 HydrophobicContact CD1-CB 3.87Å; I202-P390 HydrophobicContact CG1-CB 3.79Å; P390-I392 HydrophobicContact CB-CD1 4.09Å; P390-I392 HydrophobicContact CB-CG1 4.15Å; P390-I392 HydrophobicContact CG-CD1 4Å; P390-I392 HydrophobicContact CG-CG1 4.4Å; P390-I392 PolarHBondContact O-N 2.74Å; P390-I463 WeakPolarHBondContact CD-O 3.33Å; P390-I463 VanDerWaalsContact O-CG2 3.24Å; P390-I463 WeakPolarHBondContact O-CG2 3.33Å
391	P	96.3	Very high	94.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.			trans	-77.7	62	-177.1	30.6	-34.3	0	0	0	112.3	P198 V379 D380 L383 H384	P198-P391 HydrophobicContact CG-CG 3.78Å; V379-P391 CarbonylContact C-O 3.51Å; V379-P391 WeakPolarHBondContact CA-O 3.22Å; V379-P391 HydrophobicContact CG1-CG 3.79Å; D380-P391 PolarHBondContact N-O 2.74Å; L383-P391 HydrophobicContact CB-CB 3.77Å; H384-P391 HydrophobicContact CB-CB 3.84Å; H384-P391 HydrophobicContact CB-CG 3.92Å
392	I	96.3	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-92.6	122.5	-179.4	-62.6	171.6	0	0	0	109.6	I174 A176 I177 I377 L383 P390	I174-I392 HydrophobicContact CG2-CD1 4.1Å; A176-I392 HydrophobicContact CB-CB 4.12Å; A176-I392 HydrophobicContact CB-CD1 4.16Å; A176-I392 HydrophobicContact CB-CG2 4.22Å; I177-I392 HydrophobicContact CD1-CD1 4.07Å; I177-I392 HydrophobicContact CG1-CD1 3.8Å; I377-I392 HydrophobicContact CG2-CD1 4.17Å; I377-I392 HydrophobicContact CG2-CG1 4.25Å; I377-I392 HydrophobicContact CG2-CG2 3.97Å; L383-I392 WeakPolarHBondContact CD1-O 3.34Å; P390-I392 HydrophobicContact CB-CD1 4.09Å; P390-I392 HydrophobicContact CB-CG1 4.15Å; P390-I392 HydrophobicContact CG-CD1 4Å; P390-I392 HydrophobicContact CG-CG1 4.4Å; P390-I392 PolarHBondContact O-N 2.74Å
393	N	95.9	Very high	94.6	Very high	22 Å²	22	52 Å²	52	12%	0.118	24%	0.242	C	C	.	.			trans	-91.8	112.5	173.3	-173.4	-14.4	0	0	0	110	Y378 D380 L383 L395 P396 S397	Y378-N393 HydrophobicContact CD1-CB 4.24Å; Y378-N393 PolarHBondContact O-N 2.84Å; D380-N393 HydrophobicContact CB-CB 3.61Å; D380-N393 PolarHBondContact OD2-ND2 3.33Å; L383-N393 HydrophobicContact CD1-CB 4.23Å; N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 2.89Å; N393-L395 PolarHBondContact OD1-N 2.49Å; N393-L395 VanDerWaalsContact OD1-N 3.13Å; N393-P396 HydrophobicContact CB-CG 4.26Å; N393-P396 VanDerWaalsContact CG-CD 3.45Å; N393-P396 WeakPolarHBondContact O-CD 3.39Å; N393-P396 VanDerWaalsContact OD1-CD 3.26Å; N393-P396 WeakPolarHBondContact OD1-CD 3.43Å; N393-S397 WeakPolarHBondContact O-CB 3.4Å; N393-S397 PolarHBondContact O-OG 3.14Å
394	V	94.6	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.4	-174.2	-61.9	0	0	0	0	113.7	M180 Y423 Y426 F458	M180-V394 HydrophobicContact CB-CG1 4.2Å; M180-V394 HydrophobicContact CE-CB 4.43Å; M180-V394 HydrophobicContact CE-CG2 4.46Å; M180-V394 HydrophobicContact CG-CG1 4.01Å; V394-Y423 WeakPolarHBondContact O-CE2 3.24Å; V394-Y426 HydrophobicContact CG2-CD1 3.62Å; V394-Y426 HydrophobicContact CG2-CE1 3.82Å; V394-Y426 HydrophobicContact CG2-CG 4.17Å; V394-F458 HydrophobicContact CG2-CE1 4.04Å; V394-F458 HydrophobicContact CG2-CZ 4.34Å
395	L	94.8	Very high	93.9	Very high	45 Å²	45	50.4 Å²	50.4	24%	0.236	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-54.4	-178.4	-68.6	173.5	0	0	0	113.4	N393 S397 Y423 Y426 A427 K430	N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 2.89Å; N393-L395 PolarHBondContact OD1-N 2.49Å; N393-L395 VanDerWaalsContact OD1-N 3.13Å; L395-S397 VanDerWaalsContact C-N 3.27Å; L395-Y423 HydrophobicContact CD2-CE1 4.15Å; L395-Y423 HydrophobicContact CD2-CE2 4.05Å; L395-Y423 PolarHBondContact O-OH 3.45Å; L395-Y426 HydrophobicContact CD1-CD1 3.92Å; L395-Y426 HydrophobicContact CD1-CE1 3.84Å; L395-Y426 HydrophobicContact CD2-CD1 3.86Å; L395-Y426 HydrophobicContact CD2-CE1 4.5Å; L395-Y426 HydrophobicContact CG-CD1 3.61Å; L395-Y426 HydrophobicContact CG-CE1 3.75Å; L395-A427 HydrophobicContact CD2-CB 3.85Å; L395-K430 HydrophobicContact CD1-CB 4.47Å; L395-K430 HydrophobicContact CD1-CG 3.99Å
396	P	95.1	Very high	93.7	Very high	42 Å²	42	45.7 Å²	45.7	27%	0.273	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.2	175.4	32.9	-36.2	0	0	0	113.1	Q376 Y378 N393	Q376-P396 PolarHBondContact NE2-O 3.07Å; Y378-P396 HydrophobicContact CD1-CG 3.71Å; Y378-P396 HydrophobicContact CD2-CB 4.34Å; Y378-P396 HydrophobicContact CD2-CG 4.18Å; Y378-P396 HydrophobicContact CE1-CG 4.37Å; Y378-P396 HydrophobicContact CG-CB 4.21Å; Y378-P396 HydrophobicContact CG-CG 3.6Å; N393-P396 HydrophobicContact CB-CG 4.26Å; N393-P396 VanDerWaalsContact CG-CD 3.45Å; N393-P396 WeakPolarHBondContact O-CD 3.39Å; N393-P396 VanDerWaalsContact OD1-CD 3.26Å; N393-P396 WeakPolarHBondContact OD1-CD 3.43Å
397	S	95.8	Very high	93.3	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.028	20%	0.202	C	C	.	.			trans	-78.2	143.9	174.7	-61	0	0	0	0	110.9	N181 Q376 Y378 N393 L395	N181-S397 VanDerWaalsContact ND2-CB 3.32Å; N181-S397 WeakPolarHBondContact ND2-CB 3.4Å; N181-S397 PolarHBondContact OD1-O 3.44Å; Q376-S397 CarbonylContact O-C 2.88Å; Q376-S397 VanDerWaalsContact O-CA 3.22Å; Q376-S397 WeakPolarHBondContact O-CA 3.46Å; Y378-S397 PolarHBondContact N-OG 2.98Å; N393-S397 WeakPolarHBondContact O-CB 3.4Å; N393-S397 PolarHBondContact O-OG 3.14Å; L395-S397 VanDerWaalsContact C-N 3.27Å
398	L	95.1	Very high	92.7	Very high	84 Å²	84	41 Å²	41	44%	0.44	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	142.7	180	-177.7	66.7	0	0	0	110.2	N181 G375 Q376 R400	N181-L398 VanDerWaalsContact OD1-CA 3.28Å; N181-L398 WeakPolarHBondContact OD1-CA 3.22Å; N181-L398 PolarHBondContact OD1-N 2.72Å; G375-L398 CarbonylContact C-O 3.38Å; G375-L398 WeakPolarHBondContact CA-O 3.44Å; Q376-L398 PolarHBondContact N-O 3.41Å; Q376-L398 PolarHBondContact O-N 3.08Å; L398-R400 HydrophobicContact CD2-CG 4.31Å
399	S	95.9	Very high	92.1	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.5	162.5	175.2	0	0	0	0	109.8	S182 Q187 M402	S182-S399 WeakPolarHBondContact O-CB 3.07Å; S182-S399 PolarHBondContact O-OG 3.1Å; Q187-S399 PolarHBondContact NE2-OG 2.97Å; Q187-S399 PolarHBondContact OE1-OG 2.78Å; S399-M402 WeakPolarHBondContact O-CB 3.38Å
400	R	93.4	Very high	91.5	Very high	139 Å²	139	43.6 Å²	43.6	53%	0.525	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-31.5	-178.2	-64.5	-176.2	-170	174.5	8.7	112.7	E374 L398 M402	E374-R400 HydrophobicContact CB-CB 4.42Å; E374-R400 WeakPolarHBondContact O-CB 3.5Å; E374-R400 WeakPolarHBondContact O-CG 3.13Å; E374-R400 PolarHBondContact O-N 2.79Å; L398-R400 HydrophobicContact CD2-CG 4.31Å; R400-M402 VanDerWaalsContact C-N 3.32Å
401	L	93	Very high	91	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.3	179.8	-59.9	-171.5	0	0	0	113.6	Y165 P166 A184 Q187 E374 K403 S404 A405	Y165-L401 HydrophobicContact CE2-CD2 3.76Å; Y165-L401 VanDerWaalsContact OH-CD2 3.26Å; Y165-L401 WeakPolarHBondContact OH-CD2 3.41Å; P166-L401 HydrophobicContact CB-CD1 3.97Å; P166-L401 HydrophobicContact CG-CD1 3.93Å; A184-L401 HydrophobicContact CB-CB 3.95Å; A184-L401 HydrophobicContact CB-CD1 4.23Å; Q187-L401 HydrophobicContact CB-CD1 3.97Å; Q187-L401 HydrophobicContact CG-CD1 3.81Å; Q187-L401 HydrophobicContact CG-CG 4.27Å; E374-L401 VanDerWaalsContact OE2-CD1 3.31Å; E374-L401 WeakPolarHBondContact OE2-CD1 3.22Å; L401-K403 PolarHBondContact O-N 2.92Å; L401-S404 PolarHBondContact O-N 3.5Å; L401-S404 VanDerWaalsContact O-N 3.08Å; L401-A405 PolarHBondContact O-N 3.23Å
402	M	92	Very high	90.6	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.108	24%	0.241	C	C	.	.	H	α-helix	trans	-51	-43.5	179	179.5	-176.2	-175.9	0	0	112.3	S399 R400 S404 A405 I406 S419	S399-M402 WeakPolarHBondContact O-CB 3.38Å; R400-M402 VanDerWaalsContact C-N 3.32Å; M402-S404 PolarHBondContact O-N 2.88Å; M402-S404 VanDerWaalsContact O-N 3.12Å; M402-A405 PolarHBondContact O-N 2.9Å; M402-A405 VanDerWaalsContact O-N 3.13Å; M402-I406 HydrophobicContact CE-CD1 3.88Å; M402-I406 HydrophobicContact CE-CG2 4.46Å; M402-I406 HydrophobicContact CG-CD1 4.05Å; M402-I406 HydrophobicContact CG-CG2 4.14Å; M402-I406 WeakPolarHBondContact O-CG1 3.4Å; M402-I406 WeakPolarHBondContact O-CG2 3.02Å; M402-I406 PolarHBondContact O-N 3.13Å; M402-I406 VanDerWaalsContact O-N 3.13Å; M402-S419 WeakPolarHBondContact CE-OG 3.46Å
403	K	90.2	Very high	90.3	Very high	182 Å²	182	50.3 Å²	50.3	79%	0.791	26%	0.26	S	S	*	.	H	α-helix	trans	-59.1	-28.5	-176.6	-65.5	-173.9	179.9	-178.2	0	114	L401	L401-K403 PolarHBondContact O-N 2.92Å
404	S	88.6	Confident	90.1	Very high	34 Å²	34	49.3 Å²	49.3	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-89.9	-28	-177.2	-47.9	0	0	0	0	111.6	Y165 L401 M402	Y165-S404 WeakPolarHBondContact CE1-OG 3.44Å; Y165-S404 PolarHBondContact OH-OG 3.43Å; L401-S404 PolarHBondContact O-N 3.5Å; L401-S404 VanDerWaalsContact O-N 3.08Å; M402-S404 PolarHBondContact O-N 2.88Å; M402-S404 VanDerWaalsContact O-N 3.12Å
405	A	88.3	Confident	90	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-80.9	-20.7	178.9	0	0	0	0	0	113.5	E167 M169 A184 L401 M402 M410	E167-A405 WeakPolarHBondContact O-CA 3.4Å; M169-A405 HydrophobicContact CB-CB 4.02Å; M169-A405 HydrophobicContact CG-CB 4.49Å; A184-A405 HydrophobicContact CB-CB 4.17Å; L401-A405 PolarHBondContact O-N 3.23Å; M402-A405 PolarHBondContact O-N 2.9Å; M402-A405 VanDerWaalsContact O-N 3.13Å; A405-M410 WeakPolarHBondContact O-CB 3.49Å
406	I	90.3	Very high	90	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.097	26%	0.258	C	S	.	.	S	Bend	trans	-108	161.5	-176.8	73.8	-178.4	0	0	0	112	M402 H415 A416	M402-I406 HydrophobicContact CE-CD1 3.88Å; M402-I406 HydrophobicContact CE-CG2 4.46Å; M402-I406 HydrophobicContact CG-CD1 4.05Å; M402-I406 HydrophobicContact CG-CG2 4.14Å; M402-I406 WeakPolarHBondContact O-CG1 3.4Å; M402-I406 WeakPolarHBondContact O-CG2 3.02Å; M402-I406 PolarHBondContact O-N 3.13Å; M402-I406 VanDerWaalsContact O-N 3.13Å; I406-H415 HydrophobicContact CB-CB 4.22Å; I406-H415 VanDerWaalsContact CG2-CE1 3.48Å; I406-H415 WeakPolarHBondContact CG2-CE1 3.41Å; I406-H415 WeakPolarHBondContact CG2-ND1 3.33Å; I406-A416 HydrophobicContact CD1-CB 3.65Å; I406-A416 HydrophobicContact CG1-CB 4.43Å
407	G	85.3	Confident	89.9	Confident	19 Å²	19	48.4 Å²	48.4	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	118.8	-172.2	176.3	0	0	0	0	0	113.5	G409 M410 T411	G407-G409 PolarHBondContact O-N 3.13Å; G407-M410 PolarHBondContact O-N 3.48Å; G407-T411 PolarHBondContact N-OG1 2.76Å; G407-T411 PolarHBondContact O-N 3.3Å; G407-T411 VanDerWaalsContact O-N 3.07Å
408	E	82.7	Confident	89.8	Confident	177 Å²	177	48.2 Å²	48.2	83%	0.827	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	130.4	-178.5	-169.6	165.3	-159	0	0	110.9	M410	E408-M410 VanDerWaalsContact C-N 3.33Å; E408-M410 PolarHBondContact O-N 2.94Å
409	G	80.8	Confident	89.8	Confident	61 Å²	61	44.6 Å²	44.6	63%	0.629	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	-13	-176.4	0	0	0	0	0	115.7	K215 G407	K215-G409 WeakPolarHBondContact CE-O 3.36Å; K215-G409 PolarHBondContact NZ-O 2.87Å; G407-G409 PolarHBondContact O-N 3.13Å
410	M	82.9	Confident	89.7	Confident	43 Å²	43	48.3 Å²	48.3	21%	0.212	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-61.1	173.9	-61.8	-56.8	-170.3	0	0	112.1	E167 K215 A405 G407 E408	E167-M410 HydrophobicContact CB-CE 3.88Å; K215-M410 PolarHBondContact NZ-SD 2.78Å; K215-M410 VanDerWaalsContact NZ-SD 3.39Å; A405-M410 WeakPolarHBondContact O-CB 3.49Å; G407-M410 PolarHBondContact O-N 3.48Å; E408-M410 VanDerWaalsContact C-N 3.33Å; E408-M410 PolarHBondContact O-N 2.94Å
411	T	84.1	Confident	89.8	Confident	12 Å²	12	42 Å²	42	7%	0.074	23%	0.229	C	C	.	.	S	Bend	trans	-119.8	-100.5	179.3	50.2	0	0	0	0	111	M169 V213 G407 H415 V473 Y474	M169-T411 HydrophobicContact CB-CG2 4.42Å; M169-T411 HydrophobicContact SD-CG2 3.42Å; M169-T411 WeakPolarHBondContact SD-CG2 3.49Å; V213-T411 HydrophobicContact CG2-CG2 4.44Å; G407-T411 PolarHBondContact N-OG1 2.76Å; G407-T411 PolarHBondContact O-N 3.3Å; G407-T411 VanDerWaalsContact O-N 3.07Å; T411-H415 PolarHBondContact OG1-ND1 2.99Å; T411-V473 HydrophobicContact CG2-CG1 4.47Å; T411-V473 HydrophobicContact CG2-CG2 4.23Å; T411-Y474 PolarHBondContact O-OH 2.92Å
412	R	86.9	Confident	89.9	Confident	36 Å²	36	41.4 Å²	41.4	14%	0.136	23%	0.226	C	C	.	.			trans	-138.3	148.3	175.4	-158.6	171	73.9	-179.1	5.9	108.4	D414 H415 Y474 L477 D478	R412-D414 VanDerWaalsContact CB-OD1 3.26Å; R412-D414 WeakPolarHBondContact CB-OD1 3.39Å; R412-D414 WeakPolarHBondContact CD-OD1 3.49Å; R412-D414 WeakPolarHBondContact CG-OD1 3.21Å; R412-D414 IonicContact CZ-OD1 3.74Å; R412-D414 IonicContact CZ-OD2 3.95Å; R412-D414 VanDerWaalsContact CZ-OD2 3.25Å; R412-D414 IonicContact NE-OD1 3.1Å; R412-D414 PolarHBondContact NE-OD1 3.45Å; R412-D414 IonicContact NE-OD2 2.59Å; R412-D414 PolarHBondContact NE-OD2 3.14Å; R412-D414 VanDerWaalsContact NE-OD2 3.1Å; R412-D414 IonicContact NH2-OD1 3.57Å; R412-D414 IonicContact NH2-OD2 3.94Å; R412-D414 PolarHBondContact NH2-OD2 3.14Å; R412-D414 PolarHBondContact O-N 3.48Å; R412-H415 WeakPolarHBondContact O-CB 2.9Å; R412-H415 PolarHBondContact O-N 2.95Å; R412-Y474 HydrophobicContact CB-CD1 4.41Å; R412-Y474 HydrophobicContact CB-CE1 4.22Å; R412-L477 HydrophobicContact CB-CD1 3.79Å; R412-D478 IonicContact CZ-OD1 3.55Å; R412-D478 IonicContact NH1-OD1 3.86Å; R412-D478 PolarHBondContact NH1-OD1 2.82Å; R412-D478 IonicContact NH1-OD2 2.84Å; R412-D478 IonicContact NH2-OD1 3.53Å; R412-D478 PolarHBondContact NH2-OD1 2.83Å
413	K	90.1	Very high	90.1	Very high	94 Å²	94	45 Å²	45	41%	0.409	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.7	-172.9	63.5	-177.7	177.1	-172.1	0	115.2	E502	K413-E502 WeakPolarHBondContact CE-OE2 3.44Å; K413-E502 IonicContact NZ-OE1 2.82Å; K413-E502 PolarHBondContact NZ-OE1 3.44Å; K413-E502 VanDerWaalsContact NZ-OE1 3.1Å; K413-E502 IonicContact NZ-OE2 3.1Å; K413-E502 PolarHBondContact NZ-OE2 3.06Å
414	D	91.4	Very high	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.2	-174.2	65.2	-44.4	0	0	0	113.9	R412 A416 D417 V418 W481 T499 F503	R412-D414 VanDerWaalsContact CB-OD1 3.26Å; R412-D414 WeakPolarHBondContact CB-OD1 3.39Å; R412-D414 WeakPolarHBondContact CD-OD1 3.49Å; R412-D414 WeakPolarHBondContact CG-OD1 3.21Å; R412-D414 IonicContact CZ-OD1 3.74Å; R412-D414 IonicContact CZ-OD2 3.95Å; R412-D414 VanDerWaalsContact CZ-OD2 3.25Å; R412-D414 IonicContact NE-OD1 3.1Å; R412-D414 PolarHBondContact NE-OD1 3.45Å; R412-D414 IonicContact NE-OD2 2.59Å; R412-D414 PolarHBondContact NE-OD2 3.14Å; R412-D414 VanDerWaalsContact NE-OD2 3.1Å; R412-D414 IonicContact NH2-OD1 3.57Å; R412-D414 IonicContact NH2-OD2 3.94Å; R412-D414 PolarHBondContact NH2-OD2 3.14Å; R412-D414 PolarHBondContact O-N 3.48Å; D414-A416 VanDerWaalsContact C-N 3.31Å; D414-A416 PolarHBondContact O-N 3.07Å; D414-D417 PolarHBondContact O-N 3.26Å; D414-D417 VanDerWaalsContact O-N 3.15Å; D414-V418 HydrophobicContact CB-CG2 4.32Å; D414-V418 WeakPolarHBondContact O-CG2 3.4Å; D414-V418 PolarHBondContact O-N 3.48Å; D414-W481 HydrophobicContact CB-CZ2 4.32Å; D414-W481 PolarHBondContact OD2-NE1 3.48Å; D414-T499 HydrophobicContact CB-CG2 3.38Å; D414-F503 HydrophobicContact CB-CD2 4.25Å; D414-F503 HydrophobicContact CB-CE2 4.02Å
415	H	93.9	Very high	90.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.4	-47.5	-174.8	-168.1	162.3	0	0	0	111.7	D178 G179 S182 I406 T411 R412 D417 S419 L477	D178-H415 PolarHBondContact O-CE1 3.22Å; D178-H415 VanDerWaalsContact O-CE1 3.27Å; D178-H415 PolarHBondContact O-NE2 3.12Å; G179-H415 PolarHBondContact O-NE2 3.13Å; S182-H415 PolarHBondContact OG-CE1 2.73Å; S182-H415 PolarHBondContact OG-NE2 3.41Å; I406-H415 HydrophobicContact CB-CB 4.22Å; I406-H415 VanDerWaalsContact CG2-CE1 3.48Å; I406-H415 WeakPolarHBondContact CG2-CE1 3.41Å; I406-H415 WeakPolarHBondContact CG2-ND1 3.33Å; T411-H415 PolarHBondContact OG1-ND1 2.99Å; R412-H415 WeakPolarHBondContact O-CB 2.9Å; R412-H415 PolarHBondContact O-N 2.95Å; H415-D417 PolarHBondContact O-N 3.14Å; H415-S419 WeakPolarHBondContact O-CB 3.21Å; H415-S419 PolarHBondContact O-N 3.24Å; H415-L477 HydrophobicContact CB-CD1 4.09Å; H415-L477 HydrophobicContact CB-CD2 4.12Å
416	A	93.7	Very high	91	Very high	37 Å²	37	35.5 Å²	35.5	31%	0.306	20%	0.196	S	C	.	.	H	α-helix	trans	-61.4	-42.4	-179.5	0	0	0	0	0	112.5	I406 D414 N420	I406-A416 HydrophobicContact CD1-CB 3.65Å; I406-A416 HydrophobicContact CG1-CB 4.43Å; D414-A416 VanDerWaalsContact C-N 3.31Å; D414-A416 PolarHBondContact O-N 3.07Å; A416-N420 WeakPolarHBondContact O-CB 3.44Å; A416-N420 VanDerWaalsContact O-CG 3.27Å; A416-N420 PolarHBondContact O-N 2.6Å; A416-N420 VanDerWaalsContact O-N 3.15Å; A416-N420 PolarHBondContact O-ND2 2.91Å
417	D	93.7	Very high	91.3	Very high	31 Å²	31	36 Å²	36	17%	0.166	20%	0.203	C	C	.	.	H	α-helix	trans	-71.4	-44.7	-176.7	-61.1	-33.3	0	0	0	111.1	D414 H415 N420 Q421 I495 P496 T499	D414-D417 PolarHBondContact O-N 3.26Å; D414-D417 VanDerWaalsContact O-N 3.15Å; H415-D417 PolarHBondContact O-N 3.14Å; D417-N420 PolarHBondContact O-N 3.26Å; D417-Q421 WeakPolarHBondContact O-CB 3.49Å; D417-Q421 PolarHBondContact O-N 2.97Å; D417-I495 HydrophobicContact CB-CG1 4.33Å; D417-I495 HydrophobicContact CB-CG2 4.32Å; D417-P496 WeakPolarHBondContact OD1-CD 3.46Å; D417-P496 WeakPolarHBondContact OD2-CD 3.24Å; D417-T499 PolarHBondContact OD2-OG1 3.03Å
418	V	93.6	Very high	91.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-48.9	179.3	172.6	0	0	0	0	110.5	D414 N420 Q421 L422 L477 W481 L484	D414-V418 HydrophobicContact CB-CG2 4.32Å; D414-V418 WeakPolarHBondContact O-CG2 3.4Å; D414-V418 PolarHBondContact O-N 3.48Å; V418-N420 PolarHBondContact O-N 3.02Å; V418-Q421 PolarHBondContact O-N 3.33Å; V418-L422 HydrophobicContact CG1-CD1 3.69Å; V418-L422 HydrophobicContact CG1-CG 4.21Å; V418-L422 WeakPolarHBondContact O-CB 3.28Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.46Å; V418-L422 PolarHBondContact O-N 3.48Å; V418-L477 HydrophobicContact CB-CD2 4.49Å; V418-L477 HydrophobicContact CG1-CD2 4.43Å; V418-W481 HydrophobicContact CG2-CD2 4.2Å; V418-W481 HydrophobicContact CG2-CH2 4.5Å; V418-W481 HydrophobicContact CG2-CZ2 3.57Å; V418-W481 VanDerWaalsContact CG2-NE1 3.3Å; V418-L484 HydrophobicContact CG1-CD1 4.1Å; V418-L484 HydrophobicContact CG2-CD1 4.49Å
419	S	95.1	Very high	92.3	Very high	8 Å²	8	29.8 Å²	29.8	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-48.3	178.6	176.8	0	0	0	0	111.7	G179 M402 H415 Q421 L422 Y423	G179-S419 WeakPolarHBondContact O-CB 3.01Å; G179-S419 PolarHBondContact O-OG 3.09Å; M402-S419 WeakPolarHBondContact CE-OG 3.46Å; H415-S419 WeakPolarHBondContact O-CB 3.21Å; H415-S419 PolarHBondContact O-N 3.24Å; S419-Q421 VanDerWaalsContact C-N 3.33Å; S419-Q421 PolarHBondContact O-N 2.89Å; S419-L422 PolarHBondContact O-N 3.03Å; S419-Y423 WeakPolarHBondContact O-CB 3.39Å; S419-Y423 PolarHBondContact O-N 3.01Å
420	N	94.6	Very high	92.9	Very high	86 Å²	86	28.9 Å²	28.9	46%	0.46	15%	0.149	S	C	.	.	H	α-helix	trans	-61.6	-39.4	178.6	-80	-40.7	0	0	0	112.9	A416 D417 V418 A424	A416-N420 WeakPolarHBondContact O-CB 3.44Å; A416-N420 VanDerWaalsContact O-CG 3.27Å; A416-N420 PolarHBondContact O-N 2.6Å; A416-N420 VanDerWaalsContact O-N 3.15Å; A416-N420 PolarHBondContact O-ND2 2.91Å; D417-N420 PolarHBondContact O-N 3.26Å; V418-N420 PolarHBondContact O-N 3.02Å; N420-A424 WeakPolarHBondContact O-CB 2.96Å; N420-A424 PolarHBondContact O-N 3.33Å; N420-A424 VanDerWaalsContact O-N 3.1Å
421	Q	94.8	Very high	93.4	Very high	6 Å²	6	32 Å²	32	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-42.9	179	-174.9	65.8	40.6	0	0	111.5	D417 V418 S419 Y423 A424 C425 L484 L492 R494 I495	D417-Q421 WeakPolarHBondContact O-CB 3.49Å; D417-Q421 PolarHBondContact O-N 2.97Å; V418-Q421 PolarHBondContact O-N 3.33Å; S419-Q421 VanDerWaalsContact C-N 3.33Å; S419-Q421 PolarHBondContact O-N 2.89Å; Q421-Y423 VanDerWaalsContact C-N 3.31Å; Q421-Y423 PolarHBondContact O-N 2.91Å; Q421-A424 PolarHBondContact O-N 3.32Å; Q421-C425 PolarHBondContact NE2-SG 2.82Å; Q421-C425 WeakPolarHBondContact O-CB 3.43Å; Q421-C425 PolarHBondContact O-N 3.25Å; Q421-C425 PolarHBondContact O-SG 2.83Å; Q421-C425 VanDerWaalsContact O-SG 3.33Å; Q421-L484 HydrophobicContact CB-CD1 4.46Å; Q421-L484 HydrophobicContact CB-CD2 4.31Å; Q421-L484 HydrophobicContact CG-CD1 4.37Å; Q421-L484 HydrophobicContact CG-CD2 3.65Å; Q421-L492 HydrophobicContact CG-CD2 3.78Å; Q421-R494 VanDerWaalsContact OE1-CB 3.22Å; Q421-I495 HydrophobicContact CB-CD1 3.89Å; Q421-I495 HydrophobicContact CB-CG1 3.81Å; Q421-I495 HydrophobicContact CG-CD1 3.86Å; Q421-I495 HydrophobicContact CG-CG1 4.01Å
422	L	95.5	Very high	93.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-44.3	174.2	-73.2	171.6	0	0	0	111.1	M180 V418 S419 A424 C425 Y426 F454 F458 F462 L484	M180-L422 HydrophobicContact CE-CB 4.16Å; M180-L422 HydrophobicContact SD-CB 3.95Å; M180-L422 HydrophobicContact SD-CD1 4.12Å; V418-L422 HydrophobicContact CG1-CD1 3.69Å; V418-L422 HydrophobicContact CG1-CG 4.21Å; V418-L422 WeakPolarHBondContact O-CB 3.28Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.46Å; V418-L422 PolarHBondContact O-N 3.48Å; S419-L422 PolarHBondContact O-N 3.03Å; L422-A424 PolarHBondContact O-N 3.11Å; L422-C425 PolarHBondContact O-N 3.03Å; L422-Y426 VanDerWaalsContact O-CB 3.3Å; L422-Y426 WeakPolarHBondContact O-CB 2.99Å; L422-Y426 PolarHBondContact O-N 2.83Å; L422-F454 HydrophobicContact CD2-CE2 3.7Å; L422-F454 HydrophobicContact CD2-CZ 3.64Å; L422-F458 HydrophobicContact CB-CE2 4.21Å; L422-F458 HydrophobicContact CD1-CE2 4.33Å; L422-F458 HydrophobicContact CD2-CD2 4.17Å; L422-F458 HydrophobicContact CD2-CE2 4.08Å; L422-F458 HydrophobicContact CG-CE2 4.44Å; L422-F462 HydrophobicContact CD1-CE2 4.06Å; L422-F462 HydrophobicContact CD1-CZ 4.23Å; L422-L484 HydrophobicContact CD2-CD1 4.46Å; L422-L484 HydrophobicContact CD2-CD2 3.82Å; L422-L484 HydrophobicContact CD2-CG 3.87Å; L422-L484 HydrophobicContact CG-CD1 4.41Å; L422-L484 HydrophobicContact CG-CD2 4.28Å; L422-L484 HydrophobicContact CG-CG 4.33Å
423	Y	96	Very high	94.2	Very high	97 Å²	97	33.6 Å²	33.6	38%	0.38	18%	0.175	S	C	.	.	H	α-helix	trans	-60.4	-47.3	177.1	-173.4	-81.4	0	0	0	111.4	M180 V394 L395 S419 Q421 Y426 A427	M180-Y423 HydrophobicContact CE-CD2 4.24Å; V394-Y423 WeakPolarHBondContact O-CE2 3.24Å; L395-Y423 HydrophobicContact CD2-CE1 4.15Å; L395-Y423 HydrophobicContact CD2-CE2 4.05Å; L395-Y423 PolarHBondContact O-OH 3.45Å; S419-Y423 WeakPolarHBondContact O-CB 3.39Å; S419-Y423 PolarHBondContact O-N 3.01Å; Q421-Y423 VanDerWaalsContact C-N 3.31Å; Q421-Y423 PolarHBondContact O-N 2.91Å; Y423-Y426 PolarHBondContact O-N 2.99Å; Y423-A427 WeakPolarHBondContact O-CB 3.4Å; Y423-A427 PolarHBondContact O-N 2.94Å
424	A	95.6	Very high	94.3	Very high	14 Å²	14	31.9 Å²	31.9	12%	0.116	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-44.8	179	0	0	0	0	0	112.2	N420 Q421 L422 Y426 A427 I428	N420-A424 WeakPolarHBondContact O-CB 2.96Å; N420-A424 PolarHBondContact O-N 3.33Å; N420-A424 VanDerWaalsContact O-N 3.1Å; Q421-A424 PolarHBondContact O-N 3.32Å; L422-A424 PolarHBondContact O-N 3.11Å; A424-Y426 VanDerWaalsContact C-N 3.32Å; A424-Y426 PolarHBondContact O-N 3.08Å; A424-A427 PolarHBondContact O-N 3.35Å; A424-I428 VanDerWaalsContact O-CG1 3.29Å; A424-I428 WeakPolarHBondContact O-CG1 2.91Å; A424-I428 PolarHBondContact O-N 2.83Å
425	C	95.1	Very high	94.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-38.4	176	-70	0	0	0	0	112	Q421 L422 G429 Y451 F454 F487	Q421-C425 PolarHBondContact NE2-SG 2.82Å; Q421-C425 WeakPolarHBondContact O-CB 3.43Å; Q421-C425 PolarHBondContact O-N 3.25Å; Q421-C425 PolarHBondContact O-SG 2.83Å; Q421-C425 VanDerWaalsContact O-SG 3.33Å; L422-C425 PolarHBondContact O-N 3.03Å; C425-G429 PolarHBondContact O-N 2.97Å; C425-Y451 HydrophobicContact CB-CD1 4.35Å; C425-Y451 HydrophobicContact CB-CE1 4.08Å; C425-F454 HydrophobicContact CB-CD1 3.87Å; C425-F454 HydrophobicContact CB-CE1 3.47Å; C425-F454 VanDerWaalsContact CB-CE1 3.47Å; C425-F454 HydrophobicContact CB-CE2 4.44Å; C425-F454 HydrophobicContact CB-CZ 3.79Å; C425-F487 HydrophobicContact CB-CE2 4.17Å; C425-F487 HydrophobicContact CB-CZ 4.4Å
426	Y	95.6	Very high	94.2	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-41.8	178.6	-170.2	-102.6	0	0	0	112	V394 L395 L422 Y423 A424 G429 K430 L455 F458 E459	V394-Y426 HydrophobicContact CG2-CD1 3.62Å; V394-Y426 HydrophobicContact CG2-CE1 3.82Å; V394-Y426 HydrophobicContact CG2-CG 4.17Å; L395-Y426 HydrophobicContact CD1-CD1 3.92Å; L395-Y426 HydrophobicContact CD1-CE1 3.84Å; L395-Y426 HydrophobicContact CD2-CD1 3.86Å; L395-Y426 HydrophobicContact CD2-CE1 4.5Å; L395-Y426 HydrophobicContact CG-CD1 3.61Å; L395-Y426 HydrophobicContact CG-CE1 3.75Å; L422-Y426 VanDerWaalsContact O-CB 3.3Å; L422-Y426 WeakPolarHBondContact O-CB 2.99Å; L422-Y426 PolarHBondContact O-N 2.83Å; Y423-Y426 PolarHBondContact O-N 2.99Å; A424-Y426 VanDerWaalsContact C-N 3.32Å; A424-Y426 PolarHBondContact O-N 3.08Å; Y426-G429 PolarHBondContact O-N 2.76Å; Y426-K430 HydrophobicContact CE1-CG 4.18Å; Y426-K430 VanDerWaalsContact CZ-CE 3.5Å; Y426-K430 PolarHBondContact O-N 3.28Å; Y426-K430 WeakPolarHBondContact OH-CE 3.48Å; Y426-L455 HydrophobicContact CD2-CD1 3.47Å; Y426-L455 VanDerWaalsContact CD2-CD1 3.47Å; Y426-L455 HydrophobicContact CE2-CD1 3.3Å; Y426-L455 HydrophobicContact CE2-CG 4.47Å; Y426-L455 HydrophobicContact CG-CD1 4.32Å; Y426-F458 AromaticContact CD2-CD1 3.32Å; Y426-F458 HydrophobicContact CD2-CD1 3.32Å; Y426-F458 AromaticContact CD2-CE1 3.64Å; Y426-F458 HydrophobicContact CD2-CE1 3.64Å; Y426-F458 HydrophobicContact CD2-CG 4.12Å; Y426-F458 AromaticContact CE2-CD1 3.55Å; Y426-F458 HydrophobicContact CE2-CD1 3.55Å; Y426-F458 AromaticContact CE2-CE1 3.93Å; Y426-F458 HydrophobicContact CE2-CE1 3.93Å; Y426-F458 HydrophobicContact CG-CD1 4.22Å; Y426-F458 HydrophobicContact CG-CE1 4.13Å; Y426-E459 HydrophobicContact CE2-CG 3.98Å; Y426-E459 PolarHBondContact OH-OE1 3.23Å
427	A	95.8	Very high	94.1	Very high	29 Å²	29	42.1 Å²	42.1	24%	0.24	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-50.5	175.3	0	0	0	0	0	111.7	L395 Y423 A424 G429 K430 D431	L395-A427 HydrophobicContact CD2-CB 3.85Å; Y423-A427 WeakPolarHBondContact O-CB 3.4Å; Y423-A427 PolarHBondContact O-N 2.94Å; A424-A427 PolarHBondContact O-N 3.35Å; A427-G429 VanDerWaalsContact C-N 3.31Å; A427-G429 PolarHBondContact O-N 2.67Å; A427-K430 PolarHBondContact O-N 3.19Å; A427-D431 PolarHBondContact O-N 2.79Å; A427-D431 VanDerWaalsContact O-N 3.12Å
428	I	94.9	Very high	94	Very high	67 Å²	67	46.7 Å²	46.7	34%	0.344	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-43	176.9	-63.6	165.4	0	0	0	110.3	A424 K430 D431 V432 Y451	A424-I428 VanDerWaalsContact O-CG1 3.29Å; A424-I428 WeakPolarHBondContact O-CG1 2.91Å; A424-I428 PolarHBondContact O-N 2.83Å; I428-K430 VanDerWaalsContact C-N 3.3Å; I428-K430 PolarHBondContact O-N 3.02Å; I428-D431 PolarHBondContact O-N 2.68Å; I428-V432 HydrophobicContact CG2-CG2 4.12Å; I428-V432 WeakPolarHBondContact O-CB 3.03Å; I428-V432 VanDerWaalsContact O-CG2 3.23Å; I428-V432 WeakPolarHBondContact O-CG2 3.46Å; I428-V432 PolarHBondContact O-N 3.24Å; I428-Y451 HydrophobicContact CB-CD1 4.2Å; I428-Y451 HydrophobicContact CB-CE1 4.13Å; I428-Y451 HydrophobicContact CD1-CE1 4.25Å; I428-Y451 HydrophobicContact CG2-CD1 4.01Å; I428-Y451 HydrophobicContact CG2-CD2 3.84Å; I428-Y451 HydrophobicContact CG2-CE1 4.03Å; I428-Y451 HydrophobicContact CG2-CE2 3.85Å; I428-Y451 HydrophobicContact CG2-CG 3.94Å
429	G	94.3	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-35.7	177.4	0	0	0	0	0	113.7	C425 Y426 A427 Q433	C425-G429 PolarHBondContact O-N 2.97Å; Y426-G429 PolarHBondContact O-N 2.76Å; A427-G429 VanDerWaalsContact C-N 3.31Å; A427-G429 PolarHBondContact O-N 2.67Å; G429-Q433 VanDerWaalsContact O-CB 3.32Å; G429-Q433 WeakPolarHBondContact O-CB 3.35Å; G429-Q433 PolarHBondContact O-N 3.08Å
430	K	93.8	Very high	93.5	Very high	42 Å²	42	52.5 Å²	52.5	18%	0.183	31%	0.306	C	S	.	.	H	α-helix	trans	-69.2	-42.5	173.8	-76.3	-64.4	-177.3	-167.2	0	112.6	L395 Y426 A427 I428 V432 Q433 A434 L455 E459	L395-K430 HydrophobicContact CD1-CB 4.47Å; L395-K430 HydrophobicContact CD1-CG 3.99Å; Y426-K430 HydrophobicContact CE1-CG 4.18Å; Y426-K430 VanDerWaalsContact CZ-CE 3.5Å; Y426-K430 PolarHBondContact O-N 3.28Å; Y426-K430 WeakPolarHBondContact OH-CE 3.48Å; A427-K430 PolarHBondContact O-N 3.19Å; I428-K430 VanDerWaalsContact C-N 3.3Å; I428-K430 PolarHBondContact O-N 3.02Å; K430-V432 VanDerWaalsContact C-N 3.33Å; K430-V432 PolarHBondContact O-N 3.3Å; K430-Q433 WeakPolarHBondContact O-CB 3.43Å; K430-Q433 PolarHBondContact O-N 2.98Å; K430-A434 PolarHBondContact O-N 3.2Å; K430-L455 HydrophobicContact CD-CD1 4.11Å; K430-L455 HydrophobicContact CD-CD2 4.28Å; K430-L455 HydrophobicContact CG-CD1 4.14Å; K430-E459 IonicContact NZ-OE1 2.73Å; K430-E459 PolarHBondContact NZ-OE1 2.84Å
431	D	93.9	Very high	93.1	Very high	109 Å²	109	53.8 Å²	53.8	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-62.4	-43.7	175.4	-70.5	-21.1	0	0	0	110.9	A427 I428 Q433 A434 M435	A427-D431 PolarHBondContact O-N 2.79Å; A427-D431 VanDerWaalsContact O-N 3.12Å; I428-D431 PolarHBondContact O-N 2.68Å; D431-Q433 VanDerWaalsContact C-N 3.35Å; D431-Q433 PolarHBondContact O-N 2.95Å; D431-A434 WeakPolarHBondContact O-CB 3.42Å; D431-A434 PolarHBondContact O-N 3.17Å; D431-M435 WeakPolarHBondContact O-CG 3.37Å; D431-M435 PolarHBondContact O-N 3.22Å
432	V	94.1	Very high	92.6	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-38.7	175.1	175.1	0	0	0	0	111.6	I428 K430 A434 M435 K436 L444 D448 L452	I428-V432 HydrophobicContact CG2-CG2 4.12Å; I428-V432 WeakPolarHBondContact O-CB 3.03Å; I428-V432 VanDerWaalsContact O-CG2 3.23Å; I428-V432 WeakPolarHBondContact O-CG2 3.46Å; I428-V432 PolarHBondContact O-N 3.24Å; K430-V432 VanDerWaalsContact C-N 3.33Å; K430-V432 PolarHBondContact O-N 3.3Å; V432-A434 VanDerWaalsContact C-N 3.31Å; V432-A434 PolarHBondContact O-N 3.39Å; V432-M435 HydrophobicContact CB-CE 4.27Å; V432-M435 HydrophobicContact CG2-CE 3.76Å; V432-M435 PolarHBondContact O-N 3.47Å; V432-K436 WeakPolarHBondContact O-CB 3.28Å; V432-K436 PolarHBondContact O-N 2.79Å; V432-L444 HydrophobicContact CG1-CD2 3.64Å; V432-D448 HydrophobicContact CG1-CB 3.69Å; V432-D448 HydrophobicContact CG2-CB 4.41Å; V432-L452 HydrophobicContact CG1-CD1 4.13Å; V432-L452 HydrophobicContact CG1-CD2 3.96Å; V432-L452 HydrophobicContact CG1-CG 3.78Å
433	Q	93	Very high	92.1	Very high	78 Å²	78	66.1 Å²	66.1	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-40.1	174.4	-175.7	176.4	34.1	0	0	111.7	G429 K430 D431 A437 L452 L455	G429-Q433 VanDerWaalsContact O-CB 3.32Å; G429-Q433 WeakPolarHBondContact O-CB 3.35Å; G429-Q433 PolarHBondContact O-N 3.08Å; K430-Q433 WeakPolarHBondContact O-CB 3.43Å; K430-Q433 PolarHBondContact O-N 2.98Å; D431-Q433 VanDerWaalsContact C-N 3.35Å; D431-Q433 PolarHBondContact O-N 2.95Å; Q433-A437 PolarHBondContact O-N 3.27Å; Q433-L452 HydrophobicContact CB-CD2 3.94Å; Q433-L455 HydrophobicContact CB-CD2 4.01Å; Q433-L455 HydrophobicContact CG-CD2 4.33Å; Q433-L455 VanDerWaalsContact OE1-CD2 3.25Å
434	A	92.5	Very high	91.8	Very high	59 Å²	59	62.7 Å²	62.7	49%	0.488	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-42.9	174.3	0	0	0	0	0	111.5	K430 D431 V432 K436 A437 V438	K430-A434 PolarHBondContact O-N 3.2Å; D431-A434 WeakPolarHBondContact O-CB 3.42Å; D431-A434 PolarHBondContact O-N 3.17Å; V432-A434 VanDerWaalsContact C-N 3.31Å; V432-A434 PolarHBondContact O-N 3.39Å; A434-K436 PolarHBondContact O-N 3.48Å; A434-A437 WeakPolarHBondContact O-CB 3.35Å; A434-A437 PolarHBondContact O-N 2.88Å; A434-V438 PolarHBondContact O-N 2.85Å
435	M	90.2	Very high	91.6	Very high	96 Å²	96	65.7 Å²	65.7	47%	0.473	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-42.1	175.6	-70.7	-171.6	-69.6	0	0	112.3	D431 V432 A437 V438 V439	D431-M435 WeakPolarHBondContact O-CG 3.37Å; D431-M435 PolarHBondContact O-N 3.22Å; V432-M435 HydrophobicContact CB-CE 4.27Å; V432-M435 HydrophobicContact CG2-CE 3.76Å; V432-M435 PolarHBondContact O-N 3.47Å; M435-A437 VanDerWaalsContact C-N 3.25Å; M435-A437 PolarHBondContact O-N 2.58Å; M435-V438 PolarHBondContact O-N 3.22Å; M435-V439 PolarHBondContact O-N 3.41Å
436	K	92.6	Very high	91.3	Very high	65 Å²	65	69.8 Å²	69.8	28%	0.283	41%	0.411	S	S	.	.	H	α-helix	trans	-55.6	-40.8	174.1	175.9	169.9	179.8	165.8	0	111.7	V432 A434 V438 G440 E441 L444 L452	V432-K436 WeakPolarHBondContact O-CB 3.28Å; V432-K436 PolarHBondContact O-N 2.79Å; A434-K436 PolarHBondContact O-N 3.48Å; K436-V438 VanDerWaalsContact C-N 3.26Å; K436-V438 PolarHBondContact O-N 3.09Å; K436-G440 VanDerWaalsContact O-CA 3.3Å; K436-G440 WeakPolarHBondContact O-CA 3.32Å; K436-G440 PolarHBondContact O-N 3.16Å; K436-E441 WeakPolarHBondContact CE-OE2 3.46Å; K436-E441 IonicContact NZ-OE1 2.74Å; K436-E441 PolarHBondContact NZ-OE1 3.28Å; K436-E441 IonicContact NZ-OE2 2.95Å; K436-E441 PolarHBondContact NZ-OE2 2.88Å; K436-L444 HydrophobicContact CB-CD1 3.91Å; K436-L444 HydrophobicContact CB-CD2 4.47Å; K436-L444 HydrophobicContact CD-CD1 3.97Å; K436-L444 HydrophobicContact CG-CD1 3.91Å; K436-L452 HydrophobicContact CB-CD1 4.44Å; K436-L452 HydrophobicContact CD-CD1 3.61Å
437	A	91.4	Very high	91.1	Very high	91 Å²	91	73.2 Å²	73.2	75%	0.752	43%	0.43	S	S	*	.	H	α-helix	trans	-67.9	-26.2	179.6	0	0	0	0	0	113.1	Q433 A434 M435	Q433-A437 PolarHBondContact O-N 3.27Å; A434-A437 WeakPolarHBondContact O-CB 3.35Å; A434-A437 PolarHBondContact O-N 2.88Å; M435-A437 VanDerWaalsContact C-N 3.25Å; M435-A437 PolarHBondContact O-N 2.58Å
438	V	92.1	Very high	90.9	Very high	126 Å²	126	73.4 Å²	73.4	76%	0.764	43%	0.427	S	S	*	.	H	α-helix	trans	-91.8	-48.2	-177.9	176.9	0	0	0	0	112.2	A434 M435 K436	A434-V438 PolarHBondContact O-N 2.85Å; M435-V438 PolarHBondContact O-N 3.22Å; K436-V438 VanDerWaalsContact C-N 3.26Å; K436-V438 PolarHBondContact O-N 3.09Å
439	V	90.4	Very high	90.7	Very high	101 Å²	101	73.9 Å²	73.9	61%	0.612	43%	0.43	S	S	*	.	H	α-helix	trans	-98.4	-17.3	-170.1	-163.6	0	0	0	0	112.3	M435 A443	M435-V439 PolarHBondContact O-N 3.41Å; V439-A443 HydrophobicContact CB-CB 4.22Å; V439-A443 HydrophobicContact CG1-CB 3.44Å; V439-A443 VanDerWaalsContact CG1-CB 3.44Å
440	G	87.7	Confident	90.7	Very high	31 Å²	31	76 Å²	76	32%	0.32	44%	0.44	S	S	.	.			trans	90.3	172.1	-175	0	0	0	0	0	113.1	K436	K436-G440 VanDerWaalsContact O-CA 3.3Å; K436-G440 WeakPolarHBondContact O-CA 3.32Å; K436-G440 PolarHBondContact O-N 3.16Å
441	E	85.3	Confident	90.7	Very high	113 Å²	113	75.2 Å²	75.2	53%	0.528	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-76	-30.9	-171.9	-173.6	154.1	-157	0	0	113.7	K436 A443 L444	K436-E441 WeakPolarHBondContact CE-OE2 3.46Å; K436-E441 IonicContact NZ-OE1 2.74Å; K436-E441 PolarHBondContact NZ-OE1 3.28Å; K436-E441 IonicContact NZ-OE2 2.95Å; K436-E441 PolarHBondContact NZ-OE2 2.88Å; E441-A443 PolarHBondContact O-N 3.11Å; E441-L444 HydrophobicContact CG-CD1 4.37Å; E441-L444 PolarHBondContact O-N 3.32Å
442	E	84.1	Confident	90.7	Very high	201 Å²	201	71 Å²	71	94%	0.939	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-71.9	-16.9	-174.9	-58.8	-176.2	172.2	0	0	113.6
443	A	86.6	Confident	90.7	Very high	65 Å²	65	74.6 Å²	74.6	54%	0.537	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-89.8	-2.5	-179.7	0	0	0	0	0	113.8	V439 E441	V439-A443 HydrophobicContact CB-CB 4.22Å; V439-A443 HydrophobicContact CG1-CB 3.44Å; V439-A443 VanDerWaalsContact CG1-CB 3.44Å; E441-A443 PolarHBondContact O-N 3.11Å
444	L	89.1	Confident	90.8	Very high	26 Å²	26	70.9 Å²	70.9	14%	0.136	41%	0.413	C	S	.	.			trans	-82.2	143	-177.5	-69.1	156.5	0	0	0	111.1	V432 K436 E441 D448 L449 L452	V432-L444 HydrophobicContact CG1-CD2 3.64Å; K436-L444 HydrophobicContact CB-CD1 3.91Å; K436-L444 HydrophobicContact CB-CD2 4.47Å; K436-L444 HydrophobicContact CD-CD1 3.97Å; K436-L444 HydrophobicContact CG-CD1 3.91Å; E441-L444 HydrophobicContact CG-CD1 4.37Å; E441-L444 PolarHBondContact O-N 3.32Å; L444-D448 HydrophobicContact CB-CB 4.05Å; L444-D448 HydrophobicContact CD2-CB 3.72Å; L444-D448 HydrophobicContact CG-CB 4.49Å; L444-L449 HydrophobicContact CB-CD2 4.27Å; L444-L449 HydrophobicContact CB-CG 4.41Å; L444-L449 HydrophobicContact CD1-CD2 4.22Å; L444-L452 HydrophobicContact CD1-CD1 3.76Å
445	T	91.3	Very high	90.9	Very high	77 Å²	77	68.2 Å²	68.2	47%	0.472	39%	0.391	S	S	.	.			trans	-73.2	164.4	172.2	66.2	0	0	0	0	111.1	D447 D448 L449	T445-D447 PolarHBondContact O-N 2.95Å; T445-D448 WeakPolarHBondContact CB-OD2 3.42Å; T445-D448 PolarHBondContact N-OD2 2.96Å; T445-D448 WeakPolarHBondContact O-CB 3.49Å; T445-D448 PolarHBondContact O-N 3.21Å; T445-D448 PolarHBondContact OG1-N 3.37Å; T445-D448 PolarHBondContact OG1-OD2 3.19Å; T445-L449 PolarHBondContact O-N 3.03Å; T445-L449 VanDerWaalsContact O-N 3.09Å
446	S	88.9	Confident	91.1	Very high	86 Å²	86	69.2 Å²	69.2	60%	0.601	39%	0.394	S	S	*	.	H	α-helix	trans	-55.4	-36	173	49.6	0	0	0	0	112.3	L449 L450	S446-L449 PolarHBondContact O-N 2.63Å; S446-L450 PolarHBondContact O-N 3.38Å
447	D	90.5	Very high	91.2	Very high	73 Å²	73	69.9 Å²	69.9	39%	0.39	40%	0.397	S	S	.	.	H	α-helix	trans	-72.1	-39.5	-178.8	-66.1	10.8	0	0	0	110.7	T445 L449 L450 Y451 M491	T445-D447 PolarHBondContact O-N 2.95Å; D447-L449 VanDerWaalsContact C-N 3.31Å; D447-L449 PolarHBondContact O-N 3.49Å; D447-L450 WeakPolarHBondContact O-CB 3.3Å; D447-L450 PolarHBondContact O-N 3.44Å; D447-L450 VanDerWaalsContact O-N 3.16Å; D447-Y451 WeakPolarHBondContact O-CD2 3.44Å; D447-Y451 PolarHBondContact O-N 2.77Å; D447-M491 HydrophobicContact CB-CE 3.79Å
448	D	92.4	Very high	91.4	Very high	34 Å²	34	65.5 Å²	65.5	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-39	175.2	-65.5	-36.3	0	0	0	111.7	V432 L444 T445 L450 Y451 L452	V432-D448 HydrophobicContact CG1-CB 3.69Å; V432-D448 HydrophobicContact CG2-CB 4.41Å; L444-D448 HydrophobicContact CB-CB 4.05Å; L444-D448 HydrophobicContact CD2-CB 3.72Å; L444-D448 HydrophobicContact CG-CB 4.49Å; T445-D448 WeakPolarHBondContact CB-OD2 3.42Å; T445-D448 PolarHBondContact N-OD2 2.96Å; T445-D448 WeakPolarHBondContact O-CB 3.49Å; T445-D448 PolarHBondContact O-N 3.21Å; T445-D448 PolarHBondContact OG1-N 3.37Å; T445-D448 PolarHBondContact OG1-OD2 3.19Å; D448-L450 VanDerWaalsContact C-N 3.3Å; D448-L450 PolarHBondContact O-N 2.93Å; D448-Y451 PolarHBondContact O-N 2.66Å; D448-L452 WeakPolarHBondContact O-CG 3.43Å; D448-L452 PolarHBondContact O-N 3.36Å
449	L	91.7	Very high	91.6	Very high	77 Å²	77	59.6 Å²	59.6	40%	0.403	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-38.4	174.3	-68.4	175.9	0	0	0	111.7	L444 T445 S446 D447 L452 E453	L444-L449 HydrophobicContact CB-CD2 4.27Å; L444-L449 HydrophobicContact CB-CG 4.41Å; L444-L449 HydrophobicContact CD1-CD2 4.22Å; T445-L449 PolarHBondContact O-N 3.03Å; T445-L449 VanDerWaalsContact O-N 3.09Å; S446-L449 PolarHBondContact O-N 2.63Å; D447-L449 VanDerWaalsContact C-N 3.31Å; D447-L449 PolarHBondContact O-N 3.49Å; L449-L452 PolarHBondContact O-N 2.86Å; L449-E453 PolarHBondContact O-N 3.1Å
450	L	93.5	Very high	91.7	Very high	43 Å²	43	61.2 Å²	61.2	23%	0.225	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-40.3	174.3	-68.3	171.8	0	0	0	111.9	S446 D447 D448 L452 E453 F454 I486 F487 M491	S446-L450 PolarHBondContact O-N 3.38Å; D447-L450 WeakPolarHBondContact O-CB 3.3Å; D447-L450 PolarHBondContact O-N 3.44Å; D447-L450 VanDerWaalsContact O-N 3.16Å; D448-L450 VanDerWaalsContact C-N 3.3Å; D448-L450 PolarHBondContact O-N 2.93Å; L450-L452 VanDerWaalsContact C-N 3.31Å; L450-L452 PolarHBondContact O-N 3.43Å; L450-E453 PolarHBondContact O-N 2.95Å; L450-F454 WeakPolarHBondContact O-CB 3.34Å; L450-F454 PolarHBondContact O-N 3.2Å; L450-I486 HydrophobicContact CD2-CG2 4.23Å; L450-F487 HydrophobicContact CB-CD1 4.09Å; L450-F487 HydrophobicContact CB-CE1 3.85Å; L450-M491 HydrophobicContact CD1-SD 4.37Å
451	Y	94.4	Very high	92	Very high	26 Å²	26	63.7 Å²	63.7	10%	0.102	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-36.2	175	-77.6	-67.7	0	0	0	112.7	C425 I428 D447 D448 L455 F487 M491	C425-Y451 HydrophobicContact CB-CD1 4.35Å; C425-Y451 HydrophobicContact CB-CE1 4.08Å; I428-Y451 HydrophobicContact CB-CD1 4.2Å; I428-Y451 HydrophobicContact CB-CE1 4.13Å; I428-Y451 HydrophobicContact CD1-CE1 4.25Å; I428-Y451 HydrophobicContact CG2-CD1 4.01Å; I428-Y451 HydrophobicContact CG2-CD2 3.84Å; I428-Y451 HydrophobicContact CG2-CE1 4.03Å; I428-Y451 HydrophobicContact CG2-CE2 3.85Å; I428-Y451 HydrophobicContact CG2-CG 3.94Å; D447-Y451 WeakPolarHBondContact O-CD2 3.44Å; D447-Y451 PolarHBondContact O-N 2.77Å; D448-Y451 PolarHBondContact O-N 2.66Å; Y451-L455 WeakPolarHBondContact O-CB 3.39Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-F487 AromaticContact CD1-CE1 3.65Å; Y451-F487 HydrophobicContact CD1-CE1 3.65Å; Y451-F487 AromaticContact CD1-CZ 3.48Å; Y451-F487 HydrophobicContact CD1-CZ 3.48Å; Y451-F487 VanDerWaalsContact CD1-CZ 3.48Å; Y451-F487 HydrophobicContact CD2-CE1 4.37Å; Y451-F487 AromaticContact CE1-CE1 3.73Å; Y451-F487 HydrophobicContact CE1-CE1 3.73Å; Y451-F487 AromaticContact CE1-CZ 3.72Å; Y451-F487 HydrophobicContact CE1-CZ 3.72Å; Y451-F487 HydrophobicContact CE2-CE1 4.45Å; Y451-F487 AromaticContact CG-CE1 3.97Å; Y451-F487 HydrophobicContact CG-CE1 3.97Å; Y451-F487 HydrophobicContact CG-CZ 4.14Å; Y451-M491 HydrophobicContact CD2-CE 4.47Å; Y451-M491 HydrophobicContact CE2-CE 3.6Å
452	L	93.2	Very high	92.4	Very high	20 Å²	20	58.4 Å²	58.4	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-69	-41.1	174.5	-69.6	175.3	0	0	0	112.5	V432 Q433 K436 L444 D448 L449 L450 L455 Q456	V432-L452 HydrophobicContact CG1-CD1 4.13Å; V432-L452 HydrophobicContact CG1-CD2 3.96Å; V432-L452 HydrophobicContact CG1-CG 3.78Å; Q433-L452 HydrophobicContact CB-CD2 3.94Å; K436-L452 HydrophobicContact CB-CD1 4.44Å; K436-L452 HydrophobicContact CD-CD1 3.61Å; L444-L452 HydrophobicContact CD1-CD1 3.76Å; D448-L452 WeakPolarHBondContact O-CG 3.43Å; D448-L452 PolarHBondContact O-N 3.36Å; L449-L452 PolarHBondContact O-N 2.86Å; L450-L452 VanDerWaalsContact C-N 3.31Å; L450-L452 PolarHBondContact O-N 3.43Å; L452-L455 PolarHBondContact O-N 3.28Å; L452-Q456 PolarHBondContact O-N 3.36Å
453	E	94.2	Very high	92.9	Very high	79 Å²	79	48.9 Å²	48.9	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-45.7	174	-171	-174.3	159.9	0	0	110.8	L449 L450 L455 Q456 K457	L449-E453 PolarHBondContact O-N 3.1Å; L450-E453 PolarHBondContact O-N 2.95Å; E453-L455 VanDerWaalsContact C-N 3.33Å; E453-L455 PolarHBondContact O-N 3.41Å; E453-Q456 PolarHBondContact O-N 3.12Å; E453-K457 HydrophobicContact CG-CD 4.29Å; E453-K457 PolarHBondContact O-N 3.19Å; E453-K457 WeakPolarHBondContact OE1-CE 3.24Å; E453-K457 IonicContact OE1-NZ 2.65Å; E453-K457 PolarHBondContact OE1-NZ 2.85Å
454	F	95.6	Very high	93.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-46	174.5	170.5	-95.9	0	0	0	111.4	L422 C425 L450 Q456 K457 F458 L483 F487	L422-F454 HydrophobicContact CD2-CE2 3.7Å; L422-F454 HydrophobicContact CD2-CZ 3.64Å; C425-F454 HydrophobicContact CB-CD1 3.87Å; C425-F454 HydrophobicContact CB-CE1 3.47Å; C425-F454 VanDerWaalsContact CB-CE1 3.47Å; C425-F454 HydrophobicContact CB-CE2 4.44Å; C425-F454 HydrophobicContact CB-CZ 3.79Å; L450-F454 WeakPolarHBondContact O-CB 3.34Å; L450-F454 PolarHBondContact O-N 3.2Å; F454-Q456 VanDerWaalsContact C-N 3.33Å; F454-Q456 PolarHBondContact O-N 3.12Å; F454-K457 PolarHBondContact O-N 2.77Å; F454-F458 HydrophobicContact CE1-CB 4.16Å; F454-F458 HydrophobicContact CE1-CD2 4.35Å; F454-F458 HydrophobicContact CE1-CG 4.31Å; F454-F458 HydrophobicContact CE2-CB 4.46Å; F454-F458 HydrophobicContact CE2-CD2 4.29Å; F454-F458 HydrophobicContact CZ-CB 4.13Å; F454-F458 AromaticContact CZ-CD2 3.74Å; F454-F458 HydrophobicContact CZ-CD2 3.74Å; F454-F458 HydrophobicContact CZ-CE2 4.47Å; F454-F458 HydrophobicContact CZ-CG 4.11Å; F454-F458 WeakPolarHBondContact O-CB 3.34Å; F454-F458 PolarHBondContact O-N 3.45Å; F454-L483 HydrophobicContact CD2-CB 4.22Å; F454-L483 HydrophobicContact CE2-CB 3.88Å; F454-F487 HydrophobicContact CB-CE2 3.64Å; F454-F487 HydrophobicContact CB-CZ 3.47Å; F454-F487 VanDerWaalsContact CB-CZ 3.47Å; F454-F487 HydrophobicContact CD1-CE2 4.25Å; F454-F487 HydrophobicContact CD1-CZ 4.31Å; F454-F487 HydrophobicContact CD2-CD2 4.44Å; F454-F487 AromaticContact CD2-CE2 3.52Å; F454-F487 HydrophobicContact CD2-CE2 3.52Å; F454-F487 HydrophobicContact CD2-CZ 4.23Å; F454-F487 HydrophobicContact CE2-CE2 4.22Å; F454-F487 AromaticContact CG-CE2 3.52Å; F454-F487 HydrophobicContact CG-CE2 3.52Å; F454-F487 AromaticContact CG-CZ 3.75Å; F454-F487 HydrophobicContact CG-CZ 3.75Å
455	L	94.6	Very high	93.4	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-46	-179.4	-172.7	74.7	0	0	0	111.8	Y426 K430 Q433 Y451 L452 E453 E459	Y426-L455 HydrophobicContact CD2-CD1 3.47Å; Y426-L455 VanDerWaalsContact CD2-CD1 3.47Å; Y426-L455 HydrophobicContact CE2-CD1 3.3Å; Y426-L455 HydrophobicContact CE2-CG 4.47Å; Y426-L455 HydrophobicContact CG-CD1 4.32Å; K430-L455 HydrophobicContact CD-CD1 4.11Å; K430-L455 HydrophobicContact CD-CD2 4.28Å; K430-L455 HydrophobicContact CG-CD1 4.14Å; Q433-L455 HydrophobicContact CB-CD2 4.01Å; Q433-L455 HydrophobicContact CG-CD2 4.33Å; Q433-L455 VanDerWaalsContact OE1-CD2 3.25Å; Y451-L455 WeakPolarHBondContact O-CB 3.39Å; Y451-L455 PolarHBondContact O-N 2.74Å; L452-L455 PolarHBondContact O-N 3.28Å; E453-L455 VanDerWaalsContact C-N 3.33Å; E453-L455 PolarHBondContact O-N 3.41Å; L455-E459 WeakPolarHBondContact O-CG 3.42Å; L455-E459 PolarHBondContact O-N 2.63Å; L455-E459 VanDerWaalsContact O-N 3.1Å
456	Q	93.4	Very high	93.4	Very high	116 Å²	116	44.5 Å²	44.5	54%	0.542	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-44.5	177.8	-69.3	-171.2	4.1	0	0	112.3	L452 E453 F454 K460	L452-Q456 PolarHBondContact O-N 3.36Å; E453-Q456 PolarHBondContact O-N 3.12Å; F454-Q456 VanDerWaalsContact C-N 3.33Å; F454-Q456 PolarHBondContact O-N 3.12Å; Q456-K460 WeakPolarHBondContact O-CB 3.44Å; Q456-K460 WeakPolarHBondContact O-CG 3.3Å; Q456-K460 PolarHBondContact O-N 3.24Å
457	K	95.1	Very high	93.4	Very high	79 Å²	79	43.1 Å²	43.1	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-69.4	-35.1	179.6	-76.4	179.9	168.3	170.8	0	112.2	E453 F454 K460 N461 L483 I486	E453-K457 HydrophobicContact CG-CD 4.29Å; E453-K457 PolarHBondContact O-N 3.19Å; E453-K457 WeakPolarHBondContact OE1-CE 3.24Å; E453-K457 IonicContact OE1-NZ 2.65Å; E453-K457 PolarHBondContact OE1-NZ 2.85Å; F454-K457 PolarHBondContact O-N 2.77Å; K457-K460 PolarHBondContact O-N 3.03Å; K457-N461 VanDerWaalsContact O-CB 3.22Å; K457-N461 WeakPolarHBondContact O-CB 3.38Å; K457-N461 PolarHBondContact O-N 3.11Å; K457-L483 HydrophobicContact CB-CD2 3.64Å; K457-I486 HydrophobicContact CB-CD1 4.35Å; K457-I486 HydrophobicContact CD-CD1 3.49Å; K457-I486 VanDerWaalsContact CD-CD1 3.49Å; K457-I486 HydrophobicContact CD-CG1 4.5Å
458	F	95.8	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-63.8	-49.3	175.7	-176.1	-97	0	0	0	110.8	M180 V394 L422 Y426 F454 K460 F462 I463 L483	M180-F458 HydrophobicContact SD-CZ 4.43Å; V394-F458 HydrophobicContact CG2-CE1 4.04Å; V394-F458 HydrophobicContact CG2-CZ 4.34Å; L422-F458 HydrophobicContact CB-CE2 4.21Å; L422-F458 HydrophobicContact CD1-CE2 4.33Å; L422-F458 HydrophobicContact CD2-CD2 4.17Å; L422-F458 HydrophobicContact CD2-CE2 4.08Å; L422-F458 HydrophobicContact CG-CE2 4.44Å; Y426-F458 AromaticContact CD2-CD1 3.32Å; Y426-F458 HydrophobicContact CD2-CD1 3.32Å; Y426-F458 AromaticContact CD2-CE1 3.64Å; Y426-F458 HydrophobicContact CD2-CE1 3.64Å; Y426-F458 HydrophobicContact CD2-CG 4.12Å; Y426-F458 AromaticContact CE2-CD1 3.55Å; Y426-F458 HydrophobicContact CE2-CD1 3.55Å; Y426-F458 AromaticContact CE2-CE1 3.93Å; Y426-F458 HydrophobicContact CE2-CE1 3.93Å; Y426-F458 HydrophobicContact CG-CD1 4.22Å; Y426-F458 HydrophobicContact CG-CE1 4.13Å; F454-F458 HydrophobicContact CE1-CB 4.16Å; F454-F458 HydrophobicContact CE1-CD2 4.35Å; F454-F458 HydrophobicContact CE1-CG 4.31Å; F454-F458 HydrophobicContact CE2-CB 4.46Å; F454-F458 HydrophobicContact CE2-CD2 4.29Å; F454-F458 HydrophobicContact CZ-CB 4.13Å; F454-F458 AromaticContact CZ-CD2 3.74Å; F454-F458 HydrophobicContact CZ-CD2 3.74Å; F454-F458 HydrophobicContact CZ-CE2 4.47Å; F454-F458 HydrophobicContact CZ-CG 4.11Å; F454-F458 WeakPolarHBondContact O-CB 3.34Å; F454-F458 PolarHBondContact O-N 3.45Å; F458-K460 PolarHBondContact O-N 2.85Å; F458-F462 HydrophobicContact CD2-CB 3.77Å; F458-F462 HydrophobicContact CD2-CD1 4.18Å; F458-F462 AromaticContact CD2-CG 3.98Å; F458-F462 HydrophobicContact CD2-CG 3.98Å; F458-F462 HydrophobicContact CE1-CD1 4.39Å; F458-F462 HydrophobicContact CE2-CB 3.93Å; F458-F462 AromaticContact CE2-CD1 3.44Å; F458-F462 HydrophobicContact CE2-CD1 3.44Å; F458-F462 VanDerWaalsContact CE2-CD1 3.44Å; F458-F462 HydrophobicContact CE2-CD2 4.32Å; F458-F462 AromaticContact CE2-CE1 3.99Å; F458-F462 HydrophobicContact CE2-CE1 3.99Å; F458-F462 AromaticContact CE2-CG 3.63Å; F458-F462 HydrophobicContact CE2-CG 3.63Å; F458-F462 HydrophobicContact CG-CB 4.25Å; F458-F462 AromaticContact CZ-CD1 3.57Å; F458-F462 HydrophobicContact CZ-CD1 3.57Å; F458-F462 HydrophobicContact CZ-CE1 4.03Å; F458-F462 HydrophobicContact CZ-CG 4.22Å; F458-F462 WeakPolarHBondContact O-CA 3.22Å; F458-F462 WeakPolarHBondContact O-CB 3.19Å; F458-F462 PolarHBondContact O-N 2.88Å; F458-I463 HydrophobicContact CD1-CD1 3.86Å; F458-I463 HydrophobicContact CD1-CG1 3.96Å; F458-I463 HydrophobicContact CE1-CD1 3.66Å; F458-I463 HydrophobicContact CE1-CG1 3.7Å; F458-I463 HydrophobicContact CZ-CG1 4.39Å; F458-I463 PolarHBondContact O-N 2.84Å; F458-L483 HydrophobicContact CB-CD1 4.35Å; F458-L483 HydrophobicContact CD2-CD1 3.9Å
459	E	94.9	Very high	93.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.241	C	C	.	.	I	π-helix	trans	-65	-38.5	178.2	-70.1	174.7	164.4	0	0	112.1	L383 R386 I388 Y426 K430 L455 I463 T464	L383-E459 HydrophobicContact CD2-CG 4.37Å; R386-E459 IonicContact CZ-OE2 3.02Å; R386-E459 IonicContact NH1-OE1 3.12Å; R386-E459 PolarHBondContact NH1-OE1 3.19Å; R386-E459 IonicContact NH1-OE2 3.84Å; R386-E459 PolarHBondContact NH1-OE2 2.87Å; R386-E459 IonicContact NH2-OE2 3.8Å; R386-E459 PolarHBondContact NH2-OE2 3.13Å; I388-E459 HydrophobicContact CD1-CB 3.97Å; Y426-E459 HydrophobicContact CE2-CG 3.98Å; Y426-E459 PolarHBondContact OH-OE1 3.23Å; K430-E459 IonicContact NZ-OE1 2.73Å; K430-E459 PolarHBondContact NZ-OE1 2.84Å; L455-E459 WeakPolarHBondContact O-CG 3.42Å; L455-E459 PolarHBondContact O-N 2.63Å; L455-E459 VanDerWaalsContact O-N 3.1Å; E459-I463 HydrophobicContact CG-CD1 4.14Å; E459-T464 PolarHBondContact O-N 2.86Å; E459-T464 VanDerWaalsContact O-N 3.1Å; E459-T464 PolarHBondContact O-OG1 2.87Å
460	K	93.5	Very high	93.3	Very high	135 Å²	135	49.1 Å²	49.1	59%	0.587	24%	0.242	S	C	*	.	I	π-helix	trans	-82.7	-28.3	-178	-74.3	-175.7	175.8	-178.4	0	116.2	Q456 K457 F458 T464	Q456-K460 WeakPolarHBondContact O-CB 3.44Å; Q456-K460 WeakPolarHBondContact O-CG 3.3Å; Q456-K460 PolarHBondContact O-N 3.24Å; K457-K460 PolarHBondContact O-N 3.03Å; F458-K460 PolarHBondContact O-N 2.85Å; K460-T464 VanDerWaalsContact O-CB 3.26Å; K460-T464 WeakPolarHBondContact O-CB 3.17Å
461	N	93.6	Very high	93.2	Very high	83 Å²	83	48.1 Å²	48.1	44%	0.444	24%	0.235	S	C	.	.	I	π-helix	trans	-113.1	-40.9	-174.6	-60	-12.7	0	0	0	111.8	K457 R471	K457-N461 VanDerWaalsContact O-CB 3.22Å; K457-N461 WeakPolarHBondContact O-CB 3.38Å; K457-N461 PolarHBondContact O-N 3.11Å; N461-R471 PolarHBondContact O-NH1 2.85Å
462	F	94.4	Very high	93.1	Very high	3 Å²	3	49 Å²	49	1%	0.013	24%	0.243	C	C	.	.	I	π-helix	trans	-82.2	-58.2	-178.2	-167.7	-91.8	0	0	0	111	S175 M180 L422 F458 R471 T476 I479 L483	S175-F462 WeakPolarHBondContact CB-O 3.18Å; S175-F462 PolarHBondContact OG-O 2.89Å; M180-F462 HydrophobicContact CG-CE1 3.75Å; M180-F462 HydrophobicContact CG-CZ 4.21Å; M180-F462 HydrophobicContact SD-CE1 4.26Å; M180-F462 HydrophobicContact SD-CZ 4.37Å; L422-F462 HydrophobicContact CD1-CE2 4.06Å; L422-F462 HydrophobicContact CD1-CZ 4.23Å; F458-F462 HydrophobicContact CD2-CB 3.77Å; F458-F462 HydrophobicContact CD2-CD1 4.18Å; F458-F462 AromaticContact CD2-CG 3.98Å; F458-F462 HydrophobicContact CD2-CG 3.98Å; F458-F462 HydrophobicContact CE1-CD1 4.39Å; F458-F462 HydrophobicContact CE2-CB 3.93Å; F458-F462 AromaticContact CE2-CD1 3.44Å; F458-F462 HydrophobicContact CE2-CD1 3.44Å; F458-F462 VanDerWaalsContact CE2-CD1 3.44Å; F458-F462 HydrophobicContact CE2-CD2 4.32Å; F458-F462 AromaticContact CE2-CE1 3.99Å; F458-F462 HydrophobicContact CE2-CE1 3.99Å; F458-F462 AromaticContact CE2-CG 3.63Å; F458-F462 HydrophobicContact CE2-CG 3.63Å; F458-F462 HydrophobicContact CG-CB 4.25Å; F458-F462 AromaticContact CZ-CD1 3.57Å; F458-F462 HydrophobicContact CZ-CD1 3.57Å; F458-F462 HydrophobicContact CZ-CE1 4.03Å; F458-F462 HydrophobicContact CZ-CG 4.22Å; F458-F462 WeakPolarHBondContact O-CA 3.22Å; F458-F462 WeakPolarHBondContact O-CB 3.19Å; F458-F462 PolarHBondContact O-N 2.88Å; F462-R471 PolarHBondContact O-NH1 2.95Å; F462-T476 HydrophobicContact CE2-CG2 3.83Å; F462-T476 HydrophobicContact CZ-CG2 3.74Å; F462-I479 HydrophobicContact CD2-CG2 4.03Å; F462-L483 HydrophobicContact CB-CD1 3.64Å; F462-L483 HydrophobicContact CD2-CD1 4.26Å; F462-L483 HydrophobicContact CG-CD1 4.33Å
463	I	94	Very high	93	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-72.9	-45.6	-178.1	-54.3	179.7	0	0	0	110.4	I388 P390 F458 E459 Q465	I388-I463 HydrophobicContact CG2-CG2 4.01Å; P390-I463 WeakPolarHBondContact CD-O 3.33Å; P390-I463 VanDerWaalsContact O-CG2 3.24Å; P390-I463 WeakPolarHBondContact O-CG2 3.33Å; F458-I463 HydrophobicContact CD1-CD1 3.86Å; F458-I463 HydrophobicContact CD1-CG1 3.96Å; F458-I463 HydrophobicContact CE1-CD1 3.66Å; F458-I463 HydrophobicContact CE1-CG1 3.7Å; F458-I463 HydrophobicContact CZ-CG1 4.39Å; F458-I463 PolarHBondContact O-N 2.84Å; E459-I463 HydrophobicContact CG-CD1 4.14Å; I463-Q465 PolarHBondContact O-N 3.26Å
464	T	94.8	Very high	92.9	Very high	44 Å²	44	48.6 Å²	48.6	27%	0.27	24%	0.237	S	C	.	.			trans	-67.5	127	-178.2	-55	0	0	0	0	110.8	Y389 E459 K460 R471	Y389-T464 CarbonylContact O-C 3.6Å; Y389-T464 VanDerWaalsContact O-CA 3.24Å; Y389-T464 WeakPolarHBondContact O-CA 3.07Å; E459-T464 PolarHBondContact O-N 2.86Å; E459-T464 VanDerWaalsContact O-N 3.1Å; E459-T464 PolarHBondContact O-OG1 2.87Å; K460-T464 VanDerWaalsContact O-CB 3.26Å; K460-T464 WeakPolarHBondContact O-CB 3.17Å; T464-R471 PolarHBondContact O-NH1 2.95Å; T464-R471 PolarHBondContact O-NH2 3.45Å; T464-R471 VanDerWaalsContact O-NH2 3.1Å
465	Q	92.2	Very high	92.7	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.033	26%	0.258	C	S	.	.			trans	-148.9	153.1	-177.6	-176.8	169.8	-14.6	0	0	109	G173 S175 Y389 I463 E469	G173-Q465 PolarHBondContact O-NE2 3.1Å; G173-Q465 PolarHBondContact O-OE1 2.93Å; S175-Q465 VanDerWaalsContact N-OE1 3.13Å; S175-Q465 PolarHBondContact OG-OE1 3.23Å; Y389-Q465 VanDerWaalsContact CD1-O 3.3Å; Y389-Q465 WeakPolarHBondContact CD1-O 3.48Å; Y389-Q465 PolarHBondContact O-N 3.44Å; I463-Q465 PolarHBondContact O-N 3.26Å; Q465-E469 HydrophobicContact CG-CB 3.83Å; Q465-E469 HydrophobicContact CG-CG 4.08Å; Q465-E469 WeakPolarHBondContact CG-OE2 3.13Å; Q465-E469 PolarHBondContact NE2-O 2.83Å
466	G	90.7	Very high	92.7	Very high	25 Å²	25	52.8 Å²	52.8	26%	0.258	26%	0.257	S	S	.	.			trans	-72.1	152.8	172	0	0	0	0	0	112.9	Q205 Y468 E469	Q205-G466 PolarHBondContact NE2-O 3.26Å; G466-Y468 PolarHBondContact O-N 3.24Å; G466-Y468 VanDerWaalsContact O-N 3.16Å; G466-E469 PolarHBondContact N-OE2 2.83Å; G466-E469 PolarHBondContact O-N 3.3Å
467	P	88.9	Confident	92.7	Very high	57 Å²	57	47.4 Å²	47.4	37%	0.37	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.3	177.4	25.7	-34.1	0	0	0	114.7	R208 Y389	R208-P467 PolarHBondContact NH2-O 3.36Å; Y389-P467 HydrophobicContact CE1-CB 3.77Å
468	Y	89.3	Confident	92.6	Very high	150 Å²	150	45.9 Å²	45.9	59%	0.588	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	0.5	177.7	-60	-77.6	0	0	0	112.8	G466	G466-Y468 PolarHBondContact O-N 3.24Å; G466-Y468 VanDerWaalsContact O-N 3.16Å
469	E	91.7	Very high	92.6	Very high	82 Å²	82	47.5 Å²	47.5	38%	0.383	24%	0.236	S	C	.	.			trans	-75.3	129.5	176.2	-171.8	-177.3	166.1	0	0	108.1	Q205 Q209 Q465 G466 R471	Q205-E469 PolarHBondContact NE2-O 3.07Å; Q209-E469 PolarHBondContact NE2-O 3.46Å; Q209-E469 PolarHBondContact OE1-O 3.49Å; Q465-E469 HydrophobicContact CG-CB 3.83Å; Q465-E469 HydrophobicContact CG-CG 4.08Å; Q465-E469 WeakPolarHBondContact CG-OE2 3.13Å; Q465-E469 PolarHBondContact NE2-O 2.83Å; G466-E469 PolarHBondContact N-OE2 2.83Å; G466-E469 PolarHBondContact O-N 3.3Å; E469-R471 HydrophobicContact CG-CG 4.31Å; E469-R471 IonicContact OE1-CZ 3.52Å; E469-R471 VanDerWaalsContact OE1-CZ 3.31Å; E469-R471 IonicContact OE1-NE 3.25Å; E469-R471 PolarHBondContact OE1-NE 2.9Å; E469-R471 IonicContact OE1-NH2 3.35Å; E469-R471 PolarHBondContact OE1-NH2 2.81Å; E469-R471 IonicContact OE2-NH2 2.72Å; E469-R471 PolarHBondContact OE2-NH2 3.2Å
470	N	90.9	Very high	92.5	Very high	79 Å²	79	47.5 Å²	47.5	42%	0.422	24%	0.236	S	C	.	.			trans	-115.5	103.2	176.9	-175.5	-10.8	0	0	0	108.2	G173 Q209	G173-N470 WeakPolarHBondContact CA-OD1 3.36Å; Q209-N470 HydrophobicContact CG-CB 4.13Å
471	R	92.8	Very high	92.5	Very high	22 Å²	22	41.1 Å²	41.1	8%	0.083	21%	0.208	C	C	.	.			trans	-88.8	135.8	179.1	-68.9	-179.3	-177.7	166.6	7.2	109.9	Q171 G173 N461 F462 T464 E469 E475	Q171-R471 PolarHBondContact NE2-O 2.91Å; G173-R471 WeakPolarHBondContact CA-O 3.22Å; G173-R471 PolarHBondContact O-N 3.33Å; G173-R471 VanDerWaalsContact O-N 3.14Å; N461-R471 PolarHBondContact O-NH1 2.85Å; F462-R471 PolarHBondContact O-NH1 2.95Å; T464-R471 PolarHBondContact O-NH1 2.95Å; T464-R471 PolarHBondContact O-NH2 3.45Å; T464-R471 VanDerWaalsContact O-NH2 3.1Å; E469-R471 HydrophobicContact CG-CG 4.31Å; E469-R471 IonicContact OE1-CZ 3.52Å; E469-R471 VanDerWaalsContact OE1-CZ 3.31Å; E469-R471 IonicContact OE1-NE 3.25Å; E469-R471 PolarHBondContact OE1-NE 2.9Å; E469-R471 IonicContact OE1-NH2 3.35Å; E469-R471 PolarHBondContact OE1-NH2 2.81Å; E469-R471 IonicContact OE2-NH2 2.72Å; E469-R471 PolarHBondContact OE2-NH2 3.2Å; R471-E475 WeakPolarHBondContact CA-OE2 3.43Å
472	T	91.8	Very high	92.5	Very high	45 Å²	45	42.2 Å²	42.2	28%	0.276	21%	0.21	S	C	.	.			trans	-72.1	157.3	170.1	66.8	0	0	0	0	110.9	Y474 E475 T476	T472-Y474 PolarHBondContact O-N 3.49Å; T472-E475 PolarHBondContact N-OE2 3.05Å; T472-E475 VanDerWaalsContact N-OE2 3.09Å; T472-E475 PolarHBondContact O-N 3.38Å; T472-E475 VanDerWaalsContact OG1-CG 3.28Å; T472-E475 WeakPolarHBondContact OG1-CG 3.49Å; T472-E475 PolarHBondContact OG1-N 3.24Å; T472-E475 PolarHBondContact OG1-OE1 3.04Å; T472-E475 VanDerWaalsContact OG1-OE1 3.12Å; T472-T476 PolarHBondContact O-N 3.39Å; T472-T476 PolarHBondContact O-OG1 3.46Å; T472-T476 VanDerWaalsContact O-OG1 3.11Å
473	V	90.8	Very high	92.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-34.5	174.1	65.5	0	0	0	0	111.2	M169 V213 T411 T476 L477	M169-V473 HydrophobicContact CE-CG2 4.04Å; M169-V473 HydrophobicContact SD-CG2 4.4Å; V213-V473 HydrophobicContact CG1-CG1 4.03Å; V213-V473 HydrophobicContact CG2-CG1 4.45Å; T411-V473 HydrophobicContact CG2-CG1 4.47Å; T411-V473 HydrophobicContact CG2-CG2 4.23Å; V473-T476 PolarHBondContact O-N 2.64Å; V473-L477 VanDerWaalsContact O-CG 3.3Å; V473-L477 WeakPolarHBondContact O-CG 3.47Å; V473-L477 PolarHBondContact O-N 2.92Å
474	Y	91.7	Very high	92.3	Very high	89 Å²	89	42.3 Å²	42.3	35%	0.349	21%	0.211	S	C	.	.	H	α-helix	trans	-69.1	-44.4	179.1	-57.5	-64.9	0	0	0	112.3	T411 R412 T472 T476 L477 D478	T411-Y474 PolarHBondContact O-OH 2.92Å; R412-Y474 HydrophobicContact CB-CD1 4.41Å; R412-Y474 HydrophobicContact CB-CE1 4.22Å; T472-Y474 PolarHBondContact O-N 3.49Å; Y474-T476 VanDerWaalsContact C-N 3.31Å; Y474-T476 PolarHBondContact O-N 3.06Å; Y474-L477 PolarHBondContact O-N 3.2Å; Y474-D478 PolarHBondContact O-N 3.34Å
475	E	92.4	Very high	92.1	Very high	91 Å²	91	43.2 Å²	43.2	43%	0.425	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-43.3	172.8	-74.4	157.2	-149.7	0	0	111.3	R471 T472 L477 D478 I479	R471-E475 WeakPolarHBondContact CA-OE2 3.43Å; T472-E475 PolarHBondContact N-OE2 3.05Å; T472-E475 VanDerWaalsContact N-OE2 3.09Å; T472-E475 PolarHBondContact O-N 3.38Å; T472-E475 VanDerWaalsContact OG1-CG 3.28Å; T472-E475 WeakPolarHBondContact OG1-CG 3.49Å; T472-E475 PolarHBondContact OG1-N 3.24Å; T472-E475 PolarHBondContact OG1-OE1 3.04Å; T472-E475 VanDerWaalsContact OG1-OE1 3.12Å; E475-L477 VanDerWaalsContact C-N 3.33Å; E475-L477 PolarHBondContact O-N 3.35Å; E475-D478 PolarHBondContact O-N 3.49Å; E475-I479 VanDerWaalsContact O-CG1 3.3Å; E475-I479 WeakPolarHBondContact O-CG1 3.32Å; E475-I479 PolarHBondContact O-N 3.02Å
476	T	94.4	Very high	92	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.6	-45.1	177.1	-63.9	0	0	0	0	111.4	F462 T472 V473 Y474 I479 G480	F462-T476 HydrophobicContact CE2-CG2 3.83Å; F462-T476 HydrophobicContact CZ-CG2 3.74Å; T472-T476 PolarHBondContact O-N 3.39Å; T472-T476 PolarHBondContact O-OG1 3.46Å; T472-T476 VanDerWaalsContact O-OG1 3.11Å; V473-T476 PolarHBondContact O-N 2.64Å; Y474-T476 VanDerWaalsContact C-N 3.31Å; Y474-T476 PolarHBondContact O-N 3.06Å; T476-I479 PolarHBondContact O-N 3.22Å; T476-G480 PolarHBondContact O-N 3.33Å
477	L	93.6	Very high	91.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-37.5	176.8	-67.4	176.1	0	0	0	112.2	R412 H415 V418 V473 Y474 E475 G480 W481	R412-L477 HydrophobicContact CB-CD1 3.79Å; H415-L477 HydrophobicContact CB-CD1 4.09Å; H415-L477 HydrophobicContact CB-CD2 4.12Å; V418-L477 HydrophobicContact CB-CD2 4.49Å; V418-L477 HydrophobicContact CG1-CD2 4.43Å; V473-L477 VanDerWaalsContact O-CG 3.3Å; V473-L477 WeakPolarHBondContact O-CG 3.47Å; V473-L477 PolarHBondContact O-N 2.92Å; Y474-L477 PolarHBondContact O-N 3.2Å; E475-L477 VanDerWaalsContact C-N 3.33Å; E475-L477 PolarHBondContact O-N 3.35Å; L477-G480 WeakPolarHBondContact O-CA 3.03Å; L477-G480 PolarHBondContact O-N 3.19Å; L477-W481 VanDerWaalsContact O-CD1 3.23Å; L477-W481 PolarHBondContact O-N 3.28Å
478	D	93.5	Very high	92	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.251	21%	0.206	S	C	.	.	H	α-helix	trans	-68	-39.4	177.8	-71.8	-20.1	0	0	0	112.2	R412 Y474 E475 G480 W481 Q482	R412-D478 IonicContact CZ-OD1 3.55Å; R412-D478 IonicContact NH1-OD1 3.86Å; R412-D478 PolarHBondContact NH1-OD1 2.82Å; R412-D478 IonicContact NH1-OD2 2.84Å; R412-D478 IonicContact NH2-OD1 3.53Å; R412-D478 PolarHBondContact NH2-OD1 2.83Å; Y474-D478 PolarHBondContact O-N 3.34Å; E475-D478 PolarHBondContact O-N 3.49Å; D478-G480 VanDerWaalsContact C-N 3.3Å; D478-G480 PolarHBondContact O-N 2.96Å; D478-W481 PolarHBondContact O-N 2.82Å; D478-Q482 WeakPolarHBondContact O-CG 3.12Å; D478-Q482 PolarHBondContact O-N 2.83Å
479	I	94.1	Very high	91.9	Very high	34 Å²	34	41.9 Å²	41.9	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-42.4	169.9	-63.3	167.3	0	0	0	110	F462 E475 T476 W481 Q482 L483	F462-I479 HydrophobicContact CD2-CG2 4.03Å; E475-I479 VanDerWaalsContact O-CG1 3.3Å; E475-I479 WeakPolarHBondContact O-CG1 3.32Å; E475-I479 PolarHBondContact O-N 3.02Å; T476-I479 PolarHBondContact O-N 3.22Å; I479-W481 VanDerWaalsContact C-N 3.33Å; I479-W481 PolarHBondContact O-N 2.83Å; I479-Q482 WeakPolarHBondContact O-CB 3.43Å; I479-Q482 PolarHBondContact O-N 2.85Å; I479-L483 HydrophobicContact CG2-CD1 4.47Å; I479-L483 WeakPolarHBondContact O-CG 3.34Å; I479-L483 PolarHBondContact O-N 2.73Å; I479-L483 VanDerWaalsContact O-N 3.09Å
480	G	93.8	Very high	91.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-47	173.7	0	0	0	0	0	112.4	T476 L477 D478 L483 L484	T476-G480 PolarHBondContact O-N 3.33Å; L477-G480 WeakPolarHBondContact O-CA 3.03Å; L477-G480 PolarHBondContact O-N 3.19Å; D478-G480 VanDerWaalsContact C-N 3.3Å; D478-G480 PolarHBondContact O-N 2.96Å; G480-L483 PolarHBondContact O-N 3.14Å; G480-L484 WeakPolarHBondContact O-CG 3.46Å; G480-L484 PolarHBondContact O-N 2.88Å
481	W	93.4	Very high	91.6	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-40.2	175.5	-83.3	107.2	0	0	0	113.6	D414 V418 L477 D478 I479 L483 L484 R485 I495 T499 F503	D414-W481 HydrophobicContact CB-CZ2 4.32Å; D414-W481 PolarHBondContact OD2-NE1 3.48Å; V418-W481 HydrophobicContact CG2-CD2 4.2Å; V418-W481 HydrophobicContact CG2-CH2 4.5Å; V418-W481 HydrophobicContact CG2-CZ2 3.57Å; V418-W481 VanDerWaalsContact CG2-NE1 3.3Å; L477-W481 VanDerWaalsContact O-CD1 3.23Å; L477-W481 PolarHBondContact O-N 3.28Å; D478-W481 PolarHBondContact O-N 2.82Å; I479-W481 VanDerWaalsContact C-N 3.33Å; I479-W481 PolarHBondContact O-N 2.83Å; W481-L483 PolarHBondContact O-N 2.65Å; W481-L484 HydrophobicContact CE3-CD1 4.45Å; W481-L484 PolarHBondContact O-N 2.77Å; W481-R485 VanDerWaalsContact O-CG 3.29Å; W481-R485 WeakPolarHBondContact O-CG 3.44Å; W481-R485 PolarHBondContact O-N 3.08Å; W481-I495 HydrophobicContact CH2-CD1 3.94Å; W481-I495 HydrophobicContact CH2-CG2 4.03Å; W481-I495 HydrophobicContact CZ3-CD1 4.16Å; W481-T499 HydrophobicContact CH2-CG2 4.37Å; W481-T499 HydrophobicContact CZ2-CG2 3.94Å; W481-F503 HydrophobicContact CD2-CB 3.68Å; W481-F503 AromaticContact CE2-CG 3.9Å; W481-F503 HydrophobicContact CE3-CB 4.07Å; W481-F503 HydrophobicContact CG-CB 4.28Å; W481-F503 HydrophobicContact CH2-CB 3.87Å; W481-F503 HydrophobicContact CZ2-CB 3.49Å; W481-F503 VanDerWaalsContact CZ2-CB 3.49Å; W481-F503 HydrophobicContact CZ2-CD2 4.08Å; W481-F503 HydrophobicContact CZ2-CG 4.01Å; W481-F503 HydrophobicContact CZ3-CB 4.15Å; W481-F503 AromaticContact NE1-CG 3.89Å
482	Q	92.3	Very high	91.5	Very high	106 Å²	106	43.4 Å²	43.4	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-58.4	-37.8	176.1	-71.7	174.1	10.7	0	0	111.6	D478 I479	D478-Q482 WeakPolarHBondContact O-CG 3.12Å; D478-Q482 PolarHBondContact O-N 2.83Å; I479-Q482 WeakPolarHBondContact O-CB 3.43Å; I479-Q482 PolarHBondContact O-N 2.85Å
483	L	92.8	Very high	91.5	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-73.2	-38.9	176.3	-65.7	175.5	0	0	0	112.7	F454 K457 F458 F462 I479 G480 W481 R485 I486	F454-L483 HydrophobicContact CD2-CB 4.22Å; F454-L483 HydrophobicContact CE2-CB 3.88Å; K457-L483 HydrophobicContact CB-CD2 3.64Å; F458-L483 HydrophobicContact CB-CD1 4.35Å; F458-L483 HydrophobicContact CD2-CD1 3.9Å; F462-L483 HydrophobicContact CB-CD1 3.64Å; F462-L483 HydrophobicContact CD2-CD1 4.26Å; F462-L483 HydrophobicContact CG-CD1 4.33Å; I479-L483 HydrophobicContact CG2-CD1 4.47Å; I479-L483 WeakPolarHBondContact O-CG 3.34Å; I479-L483 PolarHBondContact O-N 2.73Å; I479-L483 VanDerWaalsContact O-N 3.09Å; G480-L483 PolarHBondContact O-N 3.14Å; W481-L483 PolarHBondContact O-N 2.65Å; L483-R485 PolarHBondContact O-N 2.88Å; L483-I486 HydrophobicContact CD2-CD1 4.21Å; L483-I486 WeakPolarHBondContact O-CB 3.43Å; L483-I486 VanDerWaalsContact O-CD1 3.32Å; L483-I486 WeakPolarHBondContact O-CD1 3.43Å; L483-I486 VanDerWaalsContact O-CG1 3.27Å; L483-I486 WeakPolarHBondContact O-CG1 3.41Å; L483-I486 PolarHBondContact O-N 3.42Å
484	L	92.7	Very high	91.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-25.3	177.4	-69.2	174.4	0	0	0	112.9	V418 Q421 L422 G480 W481 I486 F487 L492 I495	V418-L484 HydrophobicContact CG1-CD1 4.1Å; V418-L484 HydrophobicContact CG2-CD1 4.49Å; Q421-L484 HydrophobicContact CB-CD1 4.46Å; Q421-L484 HydrophobicContact CB-CD2 4.31Å; Q421-L484 HydrophobicContact CG-CD1 4.37Å; Q421-L484 HydrophobicContact CG-CD2 3.65Å; L422-L484 HydrophobicContact CD2-CD1 4.46Å; L422-L484 HydrophobicContact CD2-CD2 3.82Å; L422-L484 HydrophobicContact CD2-CG 3.87Å; L422-L484 HydrophobicContact CG-CD1 4.41Å; L422-L484 HydrophobicContact CG-CD2 4.28Å; L422-L484 HydrophobicContact CG-CG 4.33Å; G480-L484 WeakPolarHBondContact O-CG 3.46Å; G480-L484 PolarHBondContact O-N 2.88Å; W481-L484 HydrophobicContact CE3-CD1 4.45Å; W481-L484 PolarHBondContact O-N 2.77Å; L484-I486 PolarHBondContact O-N 3.4Å; L484-F487 PolarHBondContact O-N 2.77Å; L484-F487 VanDerWaalsContact O-N 3.14Å; L484-L492 HydrophobicContact CB-CD2 4.29Å; L484-L492 HydrophobicContact CD2-CD2 3.95Å; L484-I495 HydrophobicContact CD1-CD1 3.9Å
485	R	90.5	Very high	91.5	Very high	63 Å²	63	54 Å²	54	24%	0.238	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.7	176.3	-73.4	170.6	-163.5	164.8	3	114.8	W481 L483 F487 F503 Y504 R506	W481-R485 VanDerWaalsContact O-CG 3.29Å; W481-R485 WeakPolarHBondContact O-CG 3.44Å; W481-R485 PolarHBondContact O-N 3.08Å; L483-R485 PolarHBondContact O-N 2.88Å; R485-F487 PolarHBondContact O-N 2.87Å; R485-F503 PolarHBondContact NH2-O 2.95Å; R485-Y504 PolarHBondContact NE-O 2.93Å; R485-R506 PolarHBondContact NH1-O 3.25Å; R485-R506 PolarHBondContact NH2-O 3.09Å
486	I	89.2	Confident	91.4	Very high	35 Å²	35	52.3 Å²	52.3	18%	0.179	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.3	170.7	-57.9	164.8	0	0	0	109.6	L450 K457 L483 L484	L450-I486 HydrophobicContact CD2-CG2 4.23Å; K457-I486 HydrophobicContact CB-CD1 4.35Å; K457-I486 HydrophobicContact CD-CD1 3.49Å; K457-I486 VanDerWaalsContact CD-CD1 3.49Å; K457-I486 HydrophobicContact CD-CG1 4.5Å; L483-I486 HydrophobicContact CD2-CD1 4.21Å; L483-I486 WeakPolarHBondContact O-CB 3.43Å; L483-I486 VanDerWaalsContact O-CD1 3.32Å; L483-I486 WeakPolarHBondContact O-CD1 3.43Å; L483-I486 VanDerWaalsContact O-CG1 3.27Å; L483-I486 WeakPolarHBondContact O-CG1 3.41Å; L483-I486 PolarHBondContact O-N 3.42Å; L484-I486 PolarHBondContact O-N 3.4Å
487	F	90.3	Very high	91.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.009	28%	0.282	C	S	.	.	S	Bend	trans	-86.7	141.6	177.5	-62.7	-76	0	0	0	111.7	C425 L450 Y451 F454 L484 R485 M491 L492 Y504	C425-F487 HydrophobicContact CB-CE2 4.17Å; C425-F487 HydrophobicContact CB-CZ 4.4Å; L450-F487 HydrophobicContact CB-CD1 4.09Å; L450-F487 HydrophobicContact CB-CE1 3.85Å; Y451-F487 AromaticContact CD1-CE1 3.65Å; Y451-F487 HydrophobicContact CD1-CE1 3.65Å; Y451-F487 AromaticContact CD1-CZ 3.48Å; Y451-F487 HydrophobicContact CD1-CZ 3.48Å; Y451-F487 VanDerWaalsContact CD1-CZ 3.48Å; Y451-F487 HydrophobicContact CD2-CE1 4.37Å; Y451-F487 AromaticContact CE1-CE1 3.73Å; Y451-F487 HydrophobicContact CE1-CE1 3.73Å; Y451-F487 AromaticContact CE1-CZ 3.72Å; Y451-F487 HydrophobicContact CE1-CZ 3.72Å; Y451-F487 HydrophobicContact CE2-CE1 4.45Å; Y451-F487 AromaticContact CG-CE1 3.97Å; Y451-F487 HydrophobicContact CG-CE1 3.97Å; Y451-F487 HydrophobicContact CG-CZ 4.14Å; F454-F487 HydrophobicContact CB-CE2 3.64Å; F454-F487 HydrophobicContact CB-CZ 3.47Å; F454-F487 VanDerWaalsContact CB-CZ 3.47Å; F454-F487 HydrophobicContact CD1-CE2 4.25Å; F454-F487 HydrophobicContact CD1-CZ 4.31Å; F454-F487 HydrophobicContact CD2-CD2 4.44Å; F454-F487 AromaticContact CD2-CE2 3.52Å; F454-F487 HydrophobicContact CD2-CE2 3.52Å; F454-F487 HydrophobicContact CD2-CZ 4.23Å; F454-F487 HydrophobicContact CE2-CE2 4.22Å; F454-F487 AromaticContact CG-CE2 3.52Å; F454-F487 HydrophobicContact CG-CE2 3.52Å; F454-F487 AromaticContact CG-CZ 3.75Å; F454-F487 HydrophobicContact CG-CZ 3.75Å; L484-F487 PolarHBondContact O-N 2.77Å; L484-F487 VanDerWaalsContact O-N 3.14Å; R485-F487 PolarHBondContact O-N 2.87Å; F487-M491 HydrophobicContact CB-CB 4.29Å; F487-M491 HydrophobicContact CD1-CE 4.16Å; F487-M491 HydrophobicContact CD1-SD 3.97Å; F487-L492 HydrophobicContact CB-CD2 4.23Å; F487-Y504 PolarHBondContact O-OH 2.64Å
488	P	89.9	Confident	90.9	Very high	62 Å²	62	64.2 Å²	64.2	40%	0.403	31%	0.31	S	S	.	.			trans	-56.1	148.6	165.4	-23.2	32.8	0	0	0	112.3	E490 M491	P488-E490 PolarHBondContact O-N 3.24Å; P488-M491 HydrophobicContact CG-SD 4.39Å; P488-M491 PolarHBondContact O-N 2.86Å
489	K	87.1	Confident	90.7	Very high	112 Å²	112	62.5 Å²	62.5	49%	0.487	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-49.4	-35.7	179.9	-67.9	-177.7	179.7	177.6	0	113.8	M491 L492 L500 Y504	K489-M491 VanDerWaalsContact C-N 3.26Å; K489-M491 PolarHBondContact O-N 3.22Å; K489-L492 PolarHBondContact O-N 3.06Å; K489-L500 HydrophobicContact CB-CD2 4.23Å; K489-L500 HydrophobicContact CD-CD2 4.43Å; K489-L500 HydrophobicContact CG-CD2 4.32Å; K489-Y504 HydrophobicContact CB-CE2 4.48Å; K489-Y504 HydrophobicContact CD-CD1 4.12Å; K489-Y504 HydrophobicContact CD-CE1 4.04Å; K489-Y504 HydrophobicContact CG-CD1 3.86Å; K489-Y504 HydrophobicContact CG-CD2 3.98Å; K489-Y504 HydrophobicContact CG-CE1 3.51Å; K489-Y504 HydrophobicContact CG-CE2 3.63Å; K489-Y504 HydrophobicContact CG-CG 4.07Å; K489-Y504 PolarHBondContact N-OH 3.23Å
490	E	87.9	Confident	90.4	Very high	181 Å²	181	62.1 Å²	62.1	85%	0.846	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.9	-22.3	-175.9	-58.9	178.6	-171.4	0	0	113.2	P488	P488-E490 PolarHBondContact O-N 3.24Å
491	M	88.4	Confident	90.1	Very high	27 Å²	27	66 Å²	66	13%	0.133	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-83.4	-16.9	179.5	-64.3	-172.1	76.3	0	0	113	D447 L450 Y451 F487 P488 K489 K493	D447-M491 HydrophobicContact CB-CE 3.79Å; L450-M491 HydrophobicContact CD1-SD 4.37Å; Y451-M491 HydrophobicContact CD2-CE 4.47Å; Y451-M491 HydrophobicContact CE2-CE 3.6Å; F487-M491 HydrophobicContact CB-CB 4.29Å; F487-M491 HydrophobicContact CD1-CE 4.16Å; F487-M491 HydrophobicContact CD1-SD 3.97Å; P488-M491 HydrophobicContact CG-SD 4.39Å; P488-M491 PolarHBondContact O-N 2.86Å; K489-M491 VanDerWaalsContact C-N 3.26Å; K489-M491 PolarHBondContact O-N 3.22Å; M491-K493 VanDerWaalsContact C-N 3.29Å; M491-K493 PolarHBondContact O-N 2.68Å
492	L	90.8	Very high	89.8	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.037	34%	0.344	C	S	.	.			trans	-83.5	67.8	-177.3	-59.8	177.6	0	0	0	111.6	Q421 L484 F487 K489 R494 I495 L500 Y504	Q421-L492 HydrophobicContact CG-CD2 3.78Å; L484-L492 HydrophobicContact CB-CD2 4.29Å; L484-L492 HydrophobicContact CD2-CD2 3.95Å; F487-L492 HydrophobicContact CB-CD2 4.23Å; K489-L492 PolarHBondContact O-N 3.06Å; L492-R494 PolarHBondContact O-N 2.97Å; L492-I495 HydrophobicContact CB-CD1 4.39Å; L492-L500 HydrophobicContact CB-CD1 3.85Å; L492-L500 HydrophobicContact CD1-CD1 3.75Å; L492-L500 HydrophobicContact CG-CD1 4.45Å; L492-Y504 HydrophobicContact CD1-CD2 3.91Å; L492-Y504 HydrophobicContact CD1-CE2 3.83Å
493	K	90.8	Very high	89.5	Confident	186 Å²	186	65.1 Å²	65.1	81%	0.809	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.1	-170.3	-61.2	178.7	-173.8	175.9	0	115.2	M491	M491-K493 VanDerWaalsContact C-N 3.29Å; M491-K493 PolarHBondContact O-N 2.68Å
494	R	90.8	Very high	89	Confident	158 Å²	158	67 Å²	67	60%	0.596	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.2	-177	-58.4	-172.8	172.2	-119.1	1	113.5	Q421 L492	Q421-R494 VanDerWaalsContact OE1-CB 3.22Å; L492-R494 PolarHBondContact O-N 2.97Å
495	I	92	Very high	88.4	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.067	35%	0.354	C	S	.	.	S	Bend	trans	-103.7	125.8	-179.2	-55.9	-176.1	0	0	0	109.6	D417 Q421 W481 L484 L492 T499 L500	D417-I495 HydrophobicContact CB-CG1 4.33Å; D417-I495 HydrophobicContact CB-CG2 4.32Å; Q421-I495 HydrophobicContact CB-CD1 3.89Å; Q421-I495 HydrophobicContact CB-CG1 3.81Å; Q421-I495 HydrophobicContact CG-CD1 3.86Å; Q421-I495 HydrophobicContact CG-CG1 4.01Å; W481-I495 HydrophobicContact CH2-CD1 3.94Å; W481-I495 HydrophobicContact CH2-CG2 4.03Å; W481-I495 HydrophobicContact CZ3-CD1 4.16Å; L484-I495 HydrophobicContact CD1-CD1 3.9Å; L492-I495 HydrophobicContact CB-CD1 4.39Å; I495-T499 HydrophobicContact CG2-CG2 4.37Å; I495-L500 HydrophobicContact CB-CD1 4.19Å; I495-L500 HydrophobicContact CG2-CB 4.09Å; I495-L500 HydrophobicContact CG2-CD1 4.12Å
496	P	91.9	Very high	87.5	Confident	55 Å²	55	74.2 Å²	74.2	36%	0.357	37%	0.366	S	S	.	.			trans	-60	146.9	173	-22.2	33.2	0	0	0	112.6	D417 S498 T499 L500	D417-P496 WeakPolarHBondContact OD1-CD 3.46Å; D417-P496 WeakPolarHBondContact OD2-CD 3.24Å; P496-S498 PolarHBondContact O-N 3.12Å; P496-T499 PolarHBondContact O-N 2.83Å; P496-L500 WeakPolarHBondContact O-CB 3.17Å; P496-L500 PolarHBondContact O-N 3.11Å
497	Q	88.8	Confident	85.6	Confident	169 Å²	169	79.1 Å²	79.1	79%	0.79	39%	0.393	S	S	*	.	H	α-helix	trans	-61.1	-32.3	-179.4	-70.5	-169.2	-6.4	0	0	113.4	L500 S501	Q497-L500 PolarHBondContact O-N 2.89Å; Q497-S501 WeakPolarHBondContact O-CB 3.39Å; Q497-S501 PolarHBondContact O-N 2.82Å; Q497-S501 PolarHBondContact O-OG 3.47Å; Q497-S501 VanDerWaalsContact O-OG 3.09Å
498	S	88.4	Confident	83.6	Confident	85 Å²	85	83.7 Å²	83.7	59%	0.594	43%	0.426	S	S	*	.	H	α-helix	trans	-57.3	-52.3	175.4	47.9	0	0	0	0	110.9	P496 S501	P496-S498 PolarHBondContact O-N 3.12Å; S498-S501 PolarHBondContact O-OG 2.61Å
499	T	88.4	Confident	81.1	Confident	11 Å²	11	84.9 Å²	84.9	7%	0.067	44%	0.44	C	S	.	.	H	α-helix	trans	-67.8	-43.6	179	-48	0	0	0	0	111.2	D414 D417 W481 I495 P496 S501 E502 F503	D414-T499 HydrophobicContact CB-CG2 3.38Å; D417-T499 PolarHBondContact OD2-OG1 3.03Å; W481-T499 HydrophobicContact CH2-CG2 4.37Å; W481-T499 HydrophobicContact CZ2-CG2 3.94Å; I495-T499 HydrophobicContact CG2-CG2 4.37Å; P496-T499 PolarHBondContact O-N 2.83Å; T499-S501 PolarHBondContact O-N 3.14Å; T499-E502 PolarHBondContact O-N 3.32Å; T499-F503 HydrophobicContact CG2-CD2 3.86Å; T499-F503 HydrophobicContact CG2-CE2 4.19Å; T499-F503 WeakPolarHBondContact O-CD2 3.25Å; T499-F503 PolarHBondContact O-N 3.25Å
500	L	89.1	Confident	78.6	Confident	25 Å²	25	88.4 Å²	88.4	13%	0.131	46%	0.456	C	S	.	.	H	α-helix	trans	-60.5	-43.2	-178.9	-166.6	105.6	0	0	0	112.4	K489 L492 I495 P496 Q497 E502 Y504	K489-L500 HydrophobicContact CB-CD2 4.23Å; K489-L500 HydrophobicContact CD-CD2 4.43Å; K489-L500 HydrophobicContact CG-CD2 4.32Å; L492-L500 HydrophobicContact CB-CD1 3.85Å; L492-L500 HydrophobicContact CD1-CD1 3.75Å; L492-L500 HydrophobicContact CG-CD1 4.45Å; I495-L500 HydrophobicContact CB-CD1 4.19Å; I495-L500 HydrophobicContact CG2-CB 4.09Å; I495-L500 HydrophobicContact CG2-CD1 4.12Å; P496-L500 WeakPolarHBondContact O-CB 3.17Å; P496-L500 PolarHBondContact O-N 3.11Å; Q497-L500 PolarHBondContact O-N 2.89Å; L500-E502 VanDerWaalsContact C-N 3.27Å; L500-E502 PolarHBondContact O-N 2.78Å; L500-Y504 WeakPolarHBondContact O-CB 3.28Å; L500-Y504 PolarHBondContact O-N 2.59Å; L500-Y504 VanDerWaalsContact O-N 3.08Å
501	S	86.3	Confident	76	Confident	83 Å²	83	91.8 Å²	91.8	58%	0.58	47%	0.471	S	S	*	.	H	α-helix	trans	-66.1	-27.6	-177.9	63.8	0	0	0	0	113.6	Q497 S498 T499 P505	Q497-S501 WeakPolarHBondContact O-CB 3.39Å; Q497-S501 PolarHBondContact O-N 2.82Å; Q497-S501 PolarHBondContact O-OG 3.47Å; Q497-S501 VanDerWaalsContact O-OG 3.09Å; S498-S501 PolarHBondContact O-OG 2.61Å; T499-S501 PolarHBondContact O-N 3.14Å; S501-P505 VanDerWaalsContact O-CD 3.26Å; S501-P505 WeakPolarHBondContact O-CD 3.5Å; S501-P505 VanDerWaalsContact O-CG 3.24Å; S501-P505 WeakPolarHBondContact O-CG 3.15Å
502	E	86.8	Confident	75.4	Confident	81 Å²	81	95 Å²	95	38%	0.379	49%	0.488	S	S	.	.	H	α-helix	trans	-85.3	-41.3	-178.3	-175.7	177.1	170.6	0	0	113.3	K413 T499 L500	K413-E502 WeakPolarHBondContact CE-OE2 3.44Å; K413-E502 IonicContact NZ-OE1 2.82Å; K413-E502 PolarHBondContact NZ-OE1 3.44Å; K413-E502 VanDerWaalsContact NZ-OE1 3.1Å; K413-E502 IonicContact NZ-OE2 3.1Å; K413-E502 PolarHBondContact NZ-OE2 3.06Å; T499-E502 PolarHBondContact O-N 3.32Å; L500-E502 VanDerWaalsContact C-N 3.27Å; L500-E502 PolarHBondContact O-N 2.78Å
503	F	85.6	Confident	74.5	Confident	7 Å²	7	99.6 Å²	99.6	3%	0.031	51%	0.511	C	S	.	.	H	α-helix	trans	-102.5	-23.5	-170.1	-67	-78.4	0	0	0	114.7	D414 W481 R485 T499	D414-F503 HydrophobicContact CB-CD2 4.25Å; D414-F503 HydrophobicContact CB-CE2 4.02Å; W481-F503 HydrophobicContact CD2-CB 3.68Å; W481-F503 AromaticContact CE2-CG 3.9Å; W481-F503 HydrophobicContact CE3-CB 4.07Å; W481-F503 HydrophobicContact CG-CB 4.28Å; W481-F503 HydrophobicContact CH2-CB 3.87Å; W481-F503 HydrophobicContact CZ2-CB 3.49Å; W481-F503 VanDerWaalsContact CZ2-CB 3.49Å; W481-F503 HydrophobicContact CZ2-CD2 4.08Å; W481-F503 HydrophobicContact CZ2-CG 4.01Å; W481-F503 HydrophobicContact CZ3-CB 4.15Å; W481-F503 AromaticContact NE1-CG 3.89Å; R485-F503 PolarHBondContact NH2-O 2.95Å; T499-F503 HydrophobicContact CG2-CD2 3.86Å; T499-F503 HydrophobicContact CG2-CE2 4.19Å; T499-F503 WeakPolarHBondContact O-CD2 3.25Å; T499-F503 PolarHBondContact O-N 3.25Å
504	Y	84.3	Confident	73.6	Confident	46 Å²	46	94.8 Å²	94.8	18%	0.18	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-42	175.9	-165.7	-79.4	0	0	0	114	R485 F487 K489 L492 L500 R506	R485-Y504 PolarHBondContact NE-O 2.93Å; F487-Y504 PolarHBondContact O-OH 2.64Å; K489-Y504 HydrophobicContact CB-CE2 4.48Å; K489-Y504 HydrophobicContact CD-CD1 4.12Å; K489-Y504 HydrophobicContact CD-CE1 4.04Å; K489-Y504 HydrophobicContact CG-CD1 3.86Å; K489-Y504 HydrophobicContact CG-CD2 3.98Å; K489-Y504 HydrophobicContact CG-CE1 3.51Å; K489-Y504 HydrophobicContact CG-CE2 3.63Å; K489-Y504 HydrophobicContact CG-CG 4.07Å; K489-Y504 PolarHBondContact N-OH 3.23Å; L492-Y504 HydrophobicContact CD1-CD2 3.91Å; L492-Y504 HydrophobicContact CD1-CE2 3.83Å; L500-Y504 WeakPolarHBondContact O-CB 3.28Å; L500-Y504 PolarHBondContact O-N 2.59Å; L500-Y504 VanDerWaalsContact O-N 3.08Å; Y504-R506 PolarHBondContact O-N 3.24Å
505	P	79.6	Confident	72.6	Confident	80 Å²	80	91.1 Å²	91.1	52%	0.519	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.2	-173.9	33	-35.2	0	0	0	115.3	S501 D507	S501-P505 VanDerWaalsContact O-CD 3.26Å; S501-P505 WeakPolarHBondContact O-CD 3.5Å; S501-P505 VanDerWaalsContact O-CG 3.24Å; S501-P505 WeakPolarHBondContact O-CG 3.15Å; P505-D507 PolarHBondContact O-N 3.29Å
506	R	70.7	Confident	71.4	Confident	133 Å²	133	96 Å²	96	50%	0.502	52%	0.515	S	S	.	.			trans	-69.1	104.4	178.1	-75.3	-170.3	-173.4	-171.1	2	109.8	R485 Y504	R485-R506 PolarHBondContact NH1-O 3.25Å; R485-R506 PolarHBondContact NH2-O 3.09Å; Y504-R506 PolarHBondContact O-N 3.24Å
507	D	50.2	Low	70.1	Confident	139 Å²	139	98.7 Å²	98.7	74%	0.743	53%	0.526	S	S	*	.			trans	-55.9	143.4	173.5	-98.4	-32.9	0	0	0	112	P505 A509	P505-D507 PolarHBondContact O-N 3.29Å; D507-A509 HydrophobicContact CB-CB 4.35Å; D507-A509 PolarHBondContact O-N 3.47Å
508	S	47	Very low	68.7	Low	98 Å²	98	93.7 Å²	93.7	69%	0.685	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	6.2	172.6	45.6	0	0	0	0	114.1
509	A	37.6	Very low	67.2	Low	86 Å²	86	94.4 Å²	94.4	71%	0.711	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	8.2	-173.8	0	0	0	0	0	114.9	D507	D507-A509 HydrophobicContact CB-CB 4.35Å; D507-A509 PolarHBondContact O-N 3.47Å
510	K	35.5	Very low	65.4	Low	187 Å²	187	101.3 Å²	101.3	81%	0.813	54%	0.536	S	S	*	.			trans	-126.4	65.5	172.2	-73.9	-170.6	178.8	-178.6	0	110.9
511	H	32.7	Very low	63.3	Low	251 Å²	251	108.3 Å²	108.3	100%	1.162	57%	0.573	S	S	*	*			trans	-154.4	0	146.5	-89.2	-54.5	0	0	0	109.8

Retrieved 511 of 511 residues in 1009 ms (Link to these results)

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