A0A077ZGV5_TRITR Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077ZGV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 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	48.9	Very low	60.4	Low	233 Å²	233	159 Å²	159	100%	1.148	71%	0.705	S	S	*	*				0	4.8	0	-85.5	-176.1	-165	0	0	116.5
2	R	56.7	Low	61.3	Low	239 Å²	239	151.3 Å²	151.3	90%	0.902	69%	0.686	S	S	*	*			trans	-92.2	-4.5	-171.7	-76.3	-176.8	177.1	176.5	-0.8	118
3	R	48.6	Very low	62.2	Low	225 Å²	225	142.2 Å²	142.2	85%	0.849	66%	0.659	S	S	*	*	H	α-helix	trans	-89.4	-26.5	-175	-136.8	177	-174.6	-172.4	1.1	114.8
4	R	55.5	Low	63.2	Low	219 Å²	219	137.3 Å²	137.3	83%	0.826	65%	0.648	S	S	*	*	H	α-helix	trans	-77.7	-26.5	-178	-76.8	-175.5	175.4	175.4	-1.5	113.9
5	T	61.4	Low	63.8	Low	90 Å²	90	133.7 Å²	133.7	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-75.6	-38.2	179.6	-45	0	0	0	0	112.1	R8 I9	T5-R8 PolarHBondContact O-N 3.47Å; T5-I9 HydrophobicContact CG2-CD1 4.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.3Å; T5-I9 PolarHBondContact O-N 3.05Å
6	Y	55.5	Low	64.8	Low	174 Å²	174	130.9 Å²	130.9	68%	0.682	63%	0.633	S	S	*	*	H	α-helix	trans	-67.3	-39.6	-179.3	-140.8	-91.1	0	0	0	112.2	R8 I9 V10	Y6-R8 VanDerWaalsContact C-N 3.33Å; Y6-R8 PolarHBondContact O-N 3.48Å; Y6-I9 PolarHBondContact O-N 2.8Å; Y6-V10 HydrophobicContact CD1-CG2 4.25Å; Y6-V10 HydrophobicContact CE1-CG2 4.46Å; Y6-V10 WeakPolarHBondContact O-CG2 3Å; Y6-V10 PolarHBondContact O-N 3.04Å; Y6-V10 VanDerWaalsContact O-N 3.13Å
7	V	63.4	Low	64.9	Low	82 Å²	82	133.9 Å²	133.9	50%	0.497	64%	0.636	S	S	.	*	H	α-helix	trans	-65.3	-36.7	177.1	176.3	0	0	0	0	111.5	I11	V7-I11 HydrophobicContact CG1-CD1 3.68Å; V7-I11 HydrophobicContact CG1-CG1 4.38Å; V7-I11 WeakPolarHBondContact O-CB 3.47Å; V7-I11 VanDerWaalsContact O-CG1 3.27Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 3.41Å
8	R	61.9	Low	65.5	Low	198 Å²	198	133.8 Å²	133.8	75%	0.747	64%	0.639	S	S	*	*	H	α-helix	trans	-65.6	-41	176	-77.8	-178	172.8	171.9	-3.2	112.4	T5 Y6 I11 S12	T5-R8 PolarHBondContact O-N 3.47Å; Y6-R8 VanDerWaalsContact C-N 3.33Å; Y6-R8 PolarHBondContact O-N 3.48Å; R8-I11 PolarHBondContact O-N 3.11Å; R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.14Å; R8-S12 PolarHBondContact O-OG 3.2Å
9	I	70.1	Confident	66	Low	107 Å²	107	132.9 Å²	132.9	55%	0.549	64%	0.638	S	S	.	*	H	α-helix	trans	-66.6	-41	179.5	-66.3	168.9	0	0	0	111.4	T5 Y6 S12 G13	T5-I9 HydrophobicContact CG2-CD1 4.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.3Å; T5-I9 PolarHBondContact O-N 3.05Å; Y6-I9 PolarHBondContact O-N 2.8Å; I9-S12 WeakPolarHBondContact CA-OG 2.77Å; I9-S12 PolarHBondContact O-OG 3.03Å; I9-G13 PolarHBondContact O-N 2.79Å
10	V	70.6	Confident	66.3	Low	78 Å²	78	130.3 Å²	130.3	47%	0.473	63%	0.63	S	S	.	*	H	α-helix	trans	-67.9	-43.7	178.3	175.7	0	0	0	0	111	Y6 G13 S14	Y6-V10 HydrophobicContact CD1-CG2 4.25Å; Y6-V10 HydrophobicContact CE1-CG2 4.46Å; Y6-V10 WeakPolarHBondContact O-CG2 3Å; Y6-V10 PolarHBondContact O-N 3.04Å; Y6-V10 VanDerWaalsContact O-N 3.13Å; V10-G13 PolarHBondContact O-N 3.05Å; V10-S14 PolarHBondContact O-N 2.94Å; V10-S14 PolarHBondContact O-OG 3.41Å; V10-S14 VanDerWaalsContact O-OG 3.06Å
11	I	72.4	Confident	66.3	Low	104 Å²	104	131.9 Å²	131.9	53%	0.533	63%	0.631	S	S	.	*	H	α-helix	trans	-65.4	-43.1	177.8	-66.8	171.7	0	0	0	110.9	V7 R8 G13 S14 V15	V7-I11 HydrophobicContact CG1-CD1 3.68Å; V7-I11 HydrophobicContact CG1-CG1 4.38Å; V7-I11 WeakPolarHBondContact O-CB 3.47Å; V7-I11 VanDerWaalsContact O-CG1 3.27Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 3.41Å; R8-I11 PolarHBondContact O-N 3.11Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 2.78Å; I11-S14 PolarHBondContact O-N 3.16Å; I11-V15 WeakPolarHBondContact O-CG2 3.23Å; I11-V15 PolarHBondContact O-N 3.44Å; I11-V15 VanDerWaalsContact O-N 3.14Å
12	S	70.7	Confident	67.3	Low	67 Å²	67	123.4 Å²	123.4	47%	0.469	60%	0.598	S	S	.	*	H	α-helix	trans	-65	-37.6	177	57.1	0	0	0	0	112.3	R8 I9 V16	R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.14Å; R8-S12 PolarHBondContact O-OG 3.2Å; I9-S12 WeakPolarHBondContact CA-OG 2.77Å; I9-S12 PolarHBondContact O-OG 3.03Å; S12-V16 WeakPolarHBondContact O-CG2 3.5Å; S12-V16 PolarHBondContact O-N 3.17Å
13	G	73.3	Confident	67.8	Low	33 Å²	33	115 Å²	115	34%	0.34	58%	0.58	S	S	.	*	H	α-helix	trans	-64.4	-42.7	175.5	0	0	0	0	0	112.8	I9 V10 I11 V16 W17	I9-G13 PolarHBondContact O-N 2.79Å; V10-G13 PolarHBondContact O-N 3.05Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 2.78Å; G13-V16 PolarHBondContact O-N 3.38Å; G13-W17 PolarHBondContact O-N 3.22Å
14	S	75.4	Confident	68.5	Low	73 Å²	73	110.6 Å²	110.6	51%	0.51	56%	0.564	S	S	.	*	H	α-helix	trans	-68.5	-36.2	-179.6	-61	0	0	0	0	113.2	V10 I11 W17 L18	V10-S14 PolarHBondContact O-N 2.94Å; V10-S14 PolarHBondContact O-OG 3.41Å; V10-S14 VanDerWaalsContact O-OG 3.06Å; I11-S14 PolarHBondContact O-N 3.16Å; S14-W17 PolarHBondContact O-N 2.85Å; S14-L18 PolarHBondContact O-N 3.43Å; S14-L18 VanDerWaalsContact O-N 3.07Å
15	V	73.3	Confident	68.9	Low	83 Å²	83	103.5 Å²	103.5	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-69.2	-38.6	177.6	173.8	0	0	0	0	111.5	I11 L18 L19	I11-V15 WeakPolarHBondContact O-CG2 3.23Å; I11-V15 PolarHBondContact O-N 3.44Å; I11-V15 VanDerWaalsContact O-N 3.14Å; V15-L18 PolarHBondContact O-N 3.48Å; V15-L19 HydrophobicContact CG1-CD1 4.37Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 2.61Å
16	V	78.5	Confident	69	Low	90 Å²	90	104.3 Å²	104.3	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-42.9	175.8	171.9	0	0	0	0	110.9	S12 G13 L18 L19 V20	S12-V16 WeakPolarHBondContact O-CG2 3.5Å; S12-V16 PolarHBondContact O-N 3.17Å; G13-V16 PolarHBondContact O-N 3.38Å; V16-L18 PolarHBondContact O-N 2.98Å; V16-L19 PolarHBondContact O-N 3.21Å; V16-V20 VanDerWaalsContact O-CG2 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.31Å; V16-V20 PolarHBondContact O-N 3.42Å; V16-V20 VanDerWaalsContact O-N 3.07Å
17	W	67	Low	69	Low	181 Å²	181	102.3 Å²	102.3	69%	0.686	54%	0.544	S	S	*	.	H	α-helix	trans	-67.2	-34.3	177.4	-87.5	102.9	0	0	0	113.5	G13 S14 V20 Y21	G13-W17 PolarHBondContact O-N 3.22Å; S14-W17 PolarHBondContact O-N 2.85Å; W17-V20 PolarHBondContact O-N 3.21Å; W17-Y21 WeakPolarHBondContact O-CB 3.3Å; W17-Y21 PolarHBondContact O-N 2.86Å
18	L	75.1	Confident	68.5	Low	133 Å²	133	103.7 Å²	103.7	70%	0.696	55%	0.547	S	S	*	.	H	α-helix	trans	-65	-40.1	176	-154.8	104.2	0	0	0	111.9	S14 V15 V16 Y21 A22	S14-L18 PolarHBondContact O-N 3.43Å; S14-L18 VanDerWaalsContact O-N 3.07Å; V15-L18 PolarHBondContact O-N 3.48Å; V16-L18 PolarHBondContact O-N 2.98Å; L18-Y21 PolarHBondContact O-N 2.99Å; L18-A22 PolarHBondContact O-N 2.82Å
19	L	75.2	Confident	67.7	Low	116 Å²	116	101.4 Å²	101.4	61%	0.607	55%	0.547	S	S	*	.	H	α-helix	trans	-70.2	-37.5	177.5	-68.5	173	0	0	0	112.3	V15 V16 Y21 A22 A23	V15-L19 HydrophobicContact CG1-CD1 4.37Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 2.61Å; V16-L19 PolarHBondContact O-N 3.21Å; L19-Y21 VanDerWaalsContact C-N 3.33Å; L19-A22 PolarHBondContact O-N 2.82Å; L19-A23 PolarHBondContact O-N 2.89Å
20	V	72.6	Confident	66.3	Low	80 Å²	80	103.2 Å²	103.2	49%	0.485	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-40	173.7	170.9	0	0	0	0	111.1	V16 W17 A23 Y24	V16-V20 VanDerWaalsContact O-CG2 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.31Å; V16-V20 PolarHBondContact O-N 3.42Å; V16-V20 VanDerWaalsContact O-N 3.07Å; W17-V20 PolarHBondContact O-N 3.21Å; V20-A23 PolarHBondContact O-N 2.9Å; V20-Y24 WeakPolarHBondContact O-CB 3.34Å; V20-Y24 PolarHBondContact O-N 3.37Å
21	Y	65.4	Low	64.5	Low	164 Å²	164	109.7 Å²	109.7	64%	0.643	57%	0.573	S	S	*	*	H	α-helix	trans	-67.7	-41.1	177.9	-144.9	-94.2	0	0	0	112.1	W17 L18 L19 A23 Y24 V25	W17-Y21 WeakPolarHBondContact O-CB 3.3Å; W17-Y21 PolarHBondContact O-N 2.86Å; L18-Y21 PolarHBondContact O-N 2.99Å; L19-Y21 VanDerWaalsContact C-N 3.33Å; Y21-A23 PolarHBondContact O-N 2.78Å; Y21-Y24 PolarHBondContact O-N 3.26Å; Y21-V25 HydrophobicContact CD1-CG2 4.37Å; Y21-V25 WeakPolarHBondContact O-CG2 3.47Å; Y21-V25 PolarHBondContact O-N 3.17Å; Y21-V25 VanDerWaalsContact O-N 3.13Å
22	A	70.5	Confident	62.6	Low	56 Å²	56	110 Å²	110	46%	0.463	58%	0.584	S	S	.	*	H	α-helix	trans	-62.2	-42	175.6	0	0	0	0	0	112	L18 L19 V25 V26	L18-A22 PolarHBondContact O-N 2.82Å; L19-A22 PolarHBondContact O-N 2.82Å; A22-V25 PolarHBondContact O-N 3.11Å; A22-V26 WeakPolarHBondContact O-CG2 3.19Å; A22-V26 PolarHBondContact O-N 2.79Å
23	A	66.6	Low	60.7	Low	63 Å²	63	110.7 Å²	110.7	52%	0.521	59%	0.594	S	S	.	*	H	α-helix	trans	-66.5	-37.1	176.7	0	0	0	0	0	112.7	L19 V20 Y21 V26 F27	L19-A23 PolarHBondContact O-N 2.89Å; V20-A23 PolarHBondContact O-N 2.9Å; Y21-A23 PolarHBondContact O-N 2.78Å; A23-V26 PolarHBondContact O-N 3.33Å; A23-F27 WeakPolarHBondContact O-CB 3.47Å; A23-F27 PolarHBondContact O-N 3.41Å
24	Y	64.4	Low	58.9	Low	131 Å²	131	116.2 Å²	116.2	51%	0.514	62%	0.622	S	S	.	*	H	α-helix	trans	-65.5	-40	177.6	-176.9	-101.4	0	0	0	112.6	V20 Y21 F27 M28	V20-Y24 WeakPolarHBondContact O-CB 3.34Å; V20-Y24 PolarHBondContact O-N 3.37Å; Y21-Y24 PolarHBondContact O-N 3.26Å; Y24-F27 PolarHBondContact O-N 3.05Å; Y24-M28 HydrophobicContact CD1-CG 4.26Å; Y24-M28 HydrophobicContact CE1-CG 3.9Å; Y24-M28 HydrophobicContact CE2-CG 4.26Å; Y24-M28 VanDerWaalsContact O-CG 3.28Å; Y24-M28 WeakPolarHBondContact O-CG 3.34Å; Y24-M28 PolarHBondContact O-N 3.24Å
25	V	63.9	Low	56.8	Low	71 Å²	71	119 Å²	119	43%	0.43	64%	0.636	S	S	.	*	H	α-helix	trans	-65.6	-41.9	177	173.8	0	0	0	0	111.1	Y21 A22 F27 M28 M29	Y21-V25 HydrophobicContact CD1-CG2 4.37Å; Y21-V25 WeakPolarHBondContact O-CG2 3.47Å; Y21-V25 PolarHBondContact O-N 3.17Å; Y21-V25 VanDerWaalsContact O-N 3.13Å; A22-V25 PolarHBondContact O-N 3.11Å; V25-F27 PolarHBondContact O-N 2.95Å; V25-M28 PolarHBondContact O-N 2.65Å; V25-M29 WeakPolarHBondContact O-CG 3.31Å; V25-M29 PolarHBondContact O-N 3.16Å
26	V	64.1	Low	54.9	Low	106 Å²	106	120.8 Å²	120.8	64%	0.642	65%	0.652	S	S	*	*	H	α-helix	trans	-64.4	-39.8	176.5	175.1	0	0	0	0	111.4	A22 A23 M28 M29	A22-V26 WeakPolarHBondContact O-CG2 3.19Å; A22-V26 PolarHBondContact O-N 2.79Å; A23-V26 PolarHBondContact O-N 3.33Å; V26-M28 PolarHBondContact O-N 3.29Å; V26-M29 PolarHBondContact O-N 2.93Å
27	F	54.5	Low	52.6	Low	132 Å²	132	124.7 Å²	124.7	58%	0.579	67%	0.67	S	S	*	*	H	α-helix	trans	-67.4	-33.3	177.3	-175.4	-100.5	0	0	0	113.3	A23 Y24 V25	A23-F27 WeakPolarHBondContact O-CB 3.47Å; A23-F27 PolarHBondContact O-N 3.41Å; Y24-F27 PolarHBondContact O-N 3.05Å; V25-F27 PolarHBondContact O-N 2.95Å
28	M	52.2	Low	50.9	Low	112 Å²	112	119.4 Å²	119.4	55%	0.552	67%	0.665	S	S	*	*	H	α-helix	trans	-76.8	-22.4	179	-71.7	-72.3	-81	0	0	113.2	Y24 V25 V26 D30	Y24-M28 HydrophobicContact CD1-CG 4.26Å; Y24-M28 HydrophobicContact CE1-CG 3.9Å; Y24-M28 HydrophobicContact CE2-CG 4.26Å; Y24-M28 VanDerWaalsContact O-CG 3.28Å; Y24-M28 WeakPolarHBondContact O-CG 3.34Å; Y24-M28 PolarHBondContact O-N 3.24Å; V25-M28 PolarHBondContact O-N 2.65Å; V26-M28 PolarHBondContact O-N 3.29Å; M28-D30 VanDerWaalsContact C-N 3.31Å
29	M	46.3	Very low	49	Very low	150 Å²	150	117.9 Å²	117.9	74%	0.739	66%	0.663	S	S	*	*	H	α-helix	trans	-77	-15.7	175.7	-68.9	-169.1	108.8	0	0	113.3	V25 V26	V25-M29 WeakPolarHBondContact O-CG 3.31Å; V25-M29 PolarHBondContact O-N 3.16Å; V26-M29 PolarHBondContact O-N 2.93Å
30	D	39.5	Very low	47.2	Very low	144 Å²	144	119.4 Å²	119.4	77%	0.77	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	11.3	-174.4	-150	29.7	0	0	0	114.5	M28	M28-D30 VanDerWaalsContact C-N 3.31Å
31	R	34.5	Very low	45.2	Very low	214 Å²	214	120.9 Å²	120.9	81%	0.808	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.5	22.8	-178.8	-83.8	-161.8	172.4	-174.6	0.1	116.6
32	S	32.3	Very low	43.6	Very low	110 Å²	110	118 Å²	118	77%	0.769	68%	0.68	S	S	*	*			trans	-102	70.9	167	46	0	0	0	0	111
33	A	30.4	Very low	41.6	Very low	82 Å²	82	120.1 Å²	120.1	68%	0.678	69%	0.691	S	S	*	*			trans	-150	120.9	162.4	0	0	0	0	0	111.8
34	T	34.8	Very low	39.8	Very low	149 Å²	149	125.4 Å²	125.4	91%	0.914	70%	0.703	S	S	*	*			trans	90.1	134.4	159.2	67.1	0	0	0	0	120.9
35	T	31.6	Very low	38.1	Very low	131 Å²	131	124.7 Å²	124.7	80%	0.804	72%	0.717	S	S	*	*			trans	-104.7	151.2	-160.3	44.7	0	0	0	0	112.8
36	S	34.1	Very low	36.3	Very low	122 Å²	122	126.4 Å²	126.4	85%	0.853	74%	0.738	S	S	*	*				165.7	148.6	118.4	52.6	0	0	0	0	113.1
37	N	29.6	Very low	34.7	Very low	172 Å²	172	130.7 Å²	130.7	92%	0.92	75%	0.752	S	S	*	*			trans	-81.3	133.9	-166.6	-73.8	-40.4	0	0	0	114.3
38	A	31.9	Very low	33.4	Very low	69 Å²	69	132 Å²	132	57%	0.57	76%	0.76	S	S	*	*			trans	-146.9	148	150.5	0	0	0	0	0	108.7	N40	A38-N40 PolarHBondContact O-N 3.44Å; A38-N40 VanDerWaalsContact O-N 3.12Å
39	P	34.8	Very low	32.3	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	77%	0.768	S	S	*	*			trans	-75.1	106.9	-179.1	30.6	-29.8	0	0	0	109	V41	P39-V41 PolarHBondContact O-N 2.91Å; P39-V41 VanDerWaalsContact O-N 3.09Å
40	N	36.6	Very low	31.7	Very low	147 Å²	147	134.5 Å²	134.5	79%	0.786	77%	0.77	S	S	*	*			trans	-71.8	104.4	-177.3	-70.9	-30.5	0	0	0	111.2	A38	A38-N40 PolarHBondContact O-N 3.44Å; A38-N40 VanDerWaalsContact O-N 3.12Å
41	V	30.9	Very low	31.5	Very low	112 Å²	112	133.4 Å²	133.4	68%	0.679	77%	0.771	S	S	*	*			trans	-83.1	105.1	157.6	178.4	0	0	0	0	106.5	P39 S43	P39-V41 PolarHBondContact O-N 2.91Å; P39-V41 VanDerWaalsContact O-N 3.09Å; V41-S43 PolarHBondContact O-N 3.37Å
42	V	33.3	Very low	31.4	Very low	104 Å²	104	124.9 Å²	124.9	63%	0.63	75%	0.749	S	S	*	*			trans	-81.3	100.7	174.5	-176.3	0	0	0	0	108.1	F44	V42-F44 HydrophobicContact CG1-CD2 4.01Å; V42-F44 HydrophobicContact CG1-CE2 3.49Å; V42-F44 VanDerWaalsContact CG1-CE2 3.49Å; V42-F44 HydrophobicContact CG1-CZ 4.12Å
43	S	28	Very low	31.5	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	75%	0.752	S	S	*	*			trans	-112	120.2	169	61.3	0	0	0	0	109.9	V41	V41-S43 PolarHBondContact O-N 3.37Å
44	F	28.9	Very low	31.6	Very low	174 Å²	174	130 Å²	130	76%	0.763	76%	0.755	S	S	*	*			trans	-90.8	114.8	169	-71.2	-83.8	0	0	0	109.2	V42	V42-F44 HydrophobicContact CG1-CD2 4.01Å; V42-F44 HydrophobicContact CG1-CE2 3.49Å; V42-F44 VanDerWaalsContact CG1-CE2 3.49Å; V42-F44 HydrophobicContact CG1-CZ 4.12Å
45	S	27.3	Very low	31.7	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	74%	0.744	S	S	*	*			trans	-99.6	119.6	162.1	62.6	0	0	0	0	108.8
46	A	27.2	Very low	32	Very low	107 Å²	107	129.5 Å²	129.5	88%	0.884	74%	0.737	S	S	*	*			trans	-84.7	128.5	171.4	0	0	0	0	0	109.6
47	Q	29.9	Very low	31.9	Very low	197 Å²	197	131 Å²	131	92%	0.921	73%	0.732	S	S	*	*			trans	-130.6	127.4	156	-133.9	173.5	-8.7	0	0	107.9
48	E	27.7	Very low	32.2	Very low	160 Å²	160	130.1 Å²	130.1	75%	0.748	73%	0.727	S	S	*	*			trans	-35	151.6	173.7	-70.2	-179.7	163	0	0	114.1
49	K	29.6	Very low	32.3	Very low	165 Å²	165	134.7 Å²	134.7	72%	0.717	73%	0.734	S	S	*	*			cis	-175.8	158.4	43.4	-132.9	159.8	-161.2	173.7	0	110.2
50	N	32.7	Very low	32.2	Very low	149 Å²	149	133.8 Å²	133.8	80%	0.797	74%	0.743	S	S	*	*			trans	90.5	149.8	149.8	-84	2.9	0	0	0	122
51	P	36.2	Very low	32	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	75%	0.746	S	S	*	*				-115.4	168.2	-120.7	41.4	-33.9	0	0	0	113
52	G	31.1	Very low	32.2	Very low	35 Å²	35	134.5 Å²	134.5	36%	0.361	74%	0.738	S	S	.	*			trans	151.2	52.6	168.8	0	0	0	0	0	114.5	L54 E55 L56	G52-L54 PolarHBondContact O-N 2.98Å; G52-E55 PolarHBondContact O-N 3.13Å; G52-E55 VanDerWaalsContact O-N 3.11Å; G52-L56 PolarHBondContact O-N 3.19Å
53	L	34.3	Very low	32.1	Very low	157 Å²	157	137 Å²	137	82%	0.822	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-15.3	177	-165.1	68.6	0	0	0	112.9
54	L	34.3	Very low	32.7	Very low	142 Å²	142	136.7 Å²	136.7	74%	0.743	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-19.3	178.6	-154.5	69.6	0	0	0	113.7	G52	G52-L54 PolarHBondContact O-N 2.98Å
55	E	36.6	Very low	33.1	Very low	145 Å²	145	139.2 Å²	139.2	68%	0.678	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-20.1	-179.5	-146.3	176.8	176	0	0	112.2	G52 M57	G52-E55 PolarHBondContact O-N 3.13Å; G52-E55 VanDerWaalsContact O-N 3.11Å; E55-M57 VanDerWaalsContact C-N 3.3Å; E55-M57 PolarHBondContact O-N 2.81Å
56	L	37.5	Very low	33.5	Very low	126 Å²	126	138.9 Å²	138.9	66%	0.66	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-11.6	172.4	-117.9	100.2	0	0	0	114.2	G52	G52-L56 PolarHBondContact O-N 3.19Å
57	M	32.2	Very low	34.2	Very low	152 Å²	152	138 Å²	138	75%	0.749	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-11.7	179.7	-75.9	-173	155.3	0	0	113.8	E55	E55-M57 VanDerWaalsContact C-N 3.3Å; E55-M57 PolarHBondContact O-N 2.81Å
58	L	36.4	Very low	34.9	Very low	154 Å²	154	133.9 Å²	133.9	81%	0.806	71%	0.712	S	S	*	*	S	Bend	trans	-115.1	1.7	-169	-73.5	170	0	0	0	115.7
59	K	33.9	Very low	35.7	Very low	165 Å²	165	128.3 Å²	128.3	72%	0.717	69%	0.69	S	S	*	*	S	Bend	trans	-106.7	119.9	172.9	-74.5	-177.4	177.8	173.4	0	110.5	D61	K59-D61 PolarHBondContact O-N 2.7Å
60	G	31.9	Very low	36.3	Very low	84 Å²	84	127.7 Å²	127.7	87%	0.866	69%	0.688	S	S	*	*	S	Bend	trans	-68.9	55.5	-169.2	0	0	0	0	0	116.4
61	D	32.4	Very low	36.8	Very low	158 Å²	158	127.2 Å²	127.2	85%	0.845	68%	0.681	S	S	*	*			trans	-133.1	20.2	169.7	-94.5	-29.4	0	0	0	112.6	K59	K59-D61 PolarHBondContact O-N 2.7Å
62	F	35.5	Very low	37.3	Very low	116 Å²	116	122.4 Å²	122.4	51%	0.509	65%	0.649	S	S	.	*			trans	-88.4	-9	-175.6	-165.1	-109.1	0	0	0	114.7	F66	F62-F66 HydrophobicContact CD1-CD2 4.33Å; F62-F66 AromaticContact CD1-CE2 3.82Å; F62-F66 HydrophobicContact CD1-CE2 3.82Å; F62-F66 HydrophobicContact CD2-CE2 4.48Å; F62-F66 HydrophobicContact CE1-CD2 4.11Å; F62-F66 AromaticContact CE1-CE2 3.22Å; F62-F66 HydrophobicContact CE1-CE2 3.22Å; F62-F66 AromaticContact CE1-CZ 3.62Å; F62-F66 HydrophobicContact CE1-CZ 3.62Å; F62-F66 AromaticContact CE2-CE2 3.97Å; F62-F66 HydrophobicContact CE2-CE2 3.97Å; F62-F66 HydrophobicContact CG-CE2 4.42Å; F62-F66 HydrophobicContact CZ-CD2 4.49Å; F62-F66 AromaticContact CZ-CE2 3.32Å; F62-F66 HydrophobicContact CZ-CE2 3.32Å; F62-F66 AromaticContact CZ-CZ 3.61Å; F62-F66 HydrophobicContact CZ-CZ 3.61Å; F62-F66 WeakPolarHBondContact O-CD2 3.24Å
63	L	30.9	Very low	37.8	Very low	155 Å²	155	124.8 Å²	124.8	81%	0.812	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-92	-10.1	-174.4	-69	173.3	0	0	0	114.9	R65	L63-R65 PolarHBondContact O-N 3.31Å
64	A	39.9	Very low	38.2	Very low	94 Å²	94	121.7 Å²	121.7	78%	0.777	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-81.9	-7.3	178.6	0	0	0	0	0	114.5
65	R	38.1	Very low	38.7	Very low	226 Å²	226	117.6 Å²	117.6	85%	0.853	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-100.3	-3.7	175.3	-87.2	-178.4	176.4	-172.4	-0.4	114.5	L63	L63-R65 PolarHBondContact O-N 3.31Å
66	F	36.1	Very low	39	Very low	110 Å²	110	113 Å²	113	48%	0.482	60%	0.595	S	S	.	*			trans	-104.8	26.6	-174.1	-78.1	-95.9	0	0	0	114.9	F62 P69	F62-F66 HydrophobicContact CD1-CD2 4.33Å; F62-F66 AromaticContact CD1-CE2 3.82Å; F62-F66 HydrophobicContact CD1-CE2 3.82Å; F62-F66 HydrophobicContact CD2-CE2 4.48Å; F62-F66 HydrophobicContact CE1-CD2 4.11Å; F62-F66 AromaticContact CE1-CE2 3.22Å; F62-F66 HydrophobicContact CE1-CE2 3.22Å; F62-F66 AromaticContact CE1-CZ 3.62Å; F62-F66 HydrophobicContact CE1-CZ 3.62Å; F62-F66 AromaticContact CE2-CE2 3.97Å; F62-F66 HydrophobicContact CE2-CE2 3.97Å; F62-F66 HydrophobicContact CG-CE2 4.42Å; F62-F66 HydrophobicContact CZ-CD2 4.49Å; F62-F66 AromaticContact CZ-CE2 3.32Å; F62-F66 HydrophobicContact CZ-CE2 3.32Å; F62-F66 AromaticContact CZ-CZ 3.61Å; F62-F66 HydrophobicContact CZ-CZ 3.61Å; F62-F66 WeakPolarHBondContact O-CD2 3.24Å; F66-P69 VanDerWaalsContact CA-CD 3.48Å; F66-P69 HydrophobicContact CB-CG 3.87Å; F66-P69 HydrophobicContact CD1-CB 4.33Å; F66-P69 HydrophobicContact CD1-CG 3.42Å; F66-P69 VanDerWaalsContact CD1-CG 3.42Å; F66-P69 HydrophobicContact CE1-CG 4.29Å; F66-P69 HydrophobicContact CG-CG 3.97Å; F66-P69 WeakPolarHBondContact O-CD 3.46Å; F66-P69 WeakPolarHBondContact O-CG 3.42Å
67	A	40.8	Very low	39	Very low	87 Å²	87	111.2 Å²	111.2	72%	0.719	59%	0.586	S	S	*	*	S	Bend	trans	-87	-23.3	170	0	0	0	0	0	114.2	P69	A67-P69 VanDerWaalsContact C-CD 3.46Å
68	Q	44.3	Very low	39.5	Very low	111 Å²	111	107.9 Å²	107.9	52%	0.519	57%	0.574	S	S	.	*	S	Bend	trans	-81.1	-29.1	173.1	-66.5	-95.6	-67.6	0	0	116.4	F70 V72	Q68-F70 VanDerWaalsContact C-N 3.29Å; Q68-F70 PolarHBondContact O-N 3.17Å; Q68-V72 WeakPolarHBondContact O-CG2 3.34Å; Q68-V72 PolarHBondContact O-N 2.84Å
69	P	44.6	Very low	40	Very low	43 Å²	43	102.4 Å²	102.4	28%	0.279	55%	0.549	S	S	.	.	H	α-helix	trans	-73	-16.2	-175.7	25.4	-24.1	0	0	0	112.8	F66 A67 L73	F66-P69 VanDerWaalsContact CA-CD 3.48Å; F66-P69 HydrophobicContact CB-CG 3.87Å; F66-P69 HydrophobicContact CD1-CB 4.33Å; F66-P69 HydrophobicContact CD1-CG 3.42Å; F66-P69 VanDerWaalsContact CD1-CG 3.42Å; F66-P69 HydrophobicContact CE1-CG 4.29Å; F66-P69 HydrophobicContact CG-CG 3.97Å; F66-P69 WeakPolarHBondContact O-CD 3.46Å; F66-P69 WeakPolarHBondContact O-CG 3.42Å; A67-P69 VanDerWaalsContact C-CD 3.46Å; P69-L73 VanDerWaalsContact O-CA 3.32Å; P69-L73 WeakPolarHBondContact O-CA 3.46Å; P69-L73 WeakPolarHBondContact O-CB 3.39Å; P69-L73 PolarHBondContact O-N 2.72Å
70	F	41.9	Very low	40.2	Very low	152 Å²	152	97.5 Å²	97.5	67%	0.667	55%	0.545	S	S	*	.	H	α-helix	trans	-73	-41	177.9	-153.1	-91.9	0	0	0	112.2	Q68 L74	Q68-F70 VanDerWaalsContact C-N 3.29Å; Q68-F70 PolarHBondContact O-N 3.17Å; F70-L74 WeakPolarHBondContact O-CA 3.17Å; F70-L74 WeakPolarHBondContact O-CB 3.3Å; F70-L74 PolarHBondContact O-N 3.49Å
71	E	44.2	Very low	40.3	Very low	140 Å²	140	102.9 Å²	102.9	65%	0.654	54%	0.539	S	S	*	.	H	α-helix	trans	-71.4	-37.8	172.9	-78.4	-159.7	162.3	0	0	112.4	L74 L75	E71-L74 PolarHBondContact O-N 3.23Å; E71-L75 VanDerWaalsContact O-CB 3.28Å; E71-L75 WeakPolarHBondContact O-CB 3.28Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 2.75Å
72	V	46	Very low	40.8	Very low	18 Å²	18	104 Å²	104	11%	0.109	53%	0.531	C	S	.	.	H	α-helix	trans	-69.9	-40.4	176.4	175.7	0	0	0	0	110.9	Q68 L75 I76 A199	Q68-V72 WeakPolarHBondContact O-CG2 3.34Å; Q68-V72 PolarHBondContact O-N 2.84Å; V72-L75 PolarHBondContact O-N 2.87Å; V72-I76 HydrophobicContact CG1-CD1 3.64Å; V72-I76 HydrophobicContact CG1-CG1 4.28Å; V72-I76 VanDerWaalsContact O-CB 3.27Å; V72-I76 WeakPolarHBondContact O-CB 3.38Å; V72-I76 WeakPolarHBondContact O-CD1 3.15Å; V72-I76 WeakPolarHBondContact O-CG1 3.44Å; V72-I76 PolarHBondContact O-N 3.07Å; V72-A199 HydrophobicContact CG1-CB 4.34Å; V72-A199 HydrophobicContact CG2-CB 4Å
73	L	42.2	Very low	40.8	Very low	86 Å²	86	108 Å²	108	45%	0.45	55%	0.551	S	S	.	*	H	α-helix	trans	-68.2	-38.5	173.3	-174.8	67.6	0	0	0	110.2	P69 I76 L77	P69-L73 VanDerWaalsContact O-CA 3.32Å; P69-L73 WeakPolarHBondContact O-CA 3.46Å; P69-L73 WeakPolarHBondContact O-CB 3.39Å; P69-L73 PolarHBondContact O-N 2.72Å; L73-I76 PolarHBondContact O-N 2.91Å; L73-L77 HydrophobicContact CD1-CD1 4.06Å; L73-L77 HydrophobicContact CD1-CG 4.03Å; L73-L77 HydrophobicContact CD2-CD1 4.2Å; L73-L77 HydrophobicContact CG-CD1 3.62Å; L73-L77 HydrophobicContact CG-CG 4.03Å; L73-L77 WeakPolarHBondContact O-CA 3.45Å; L73-L77 WeakPolarHBondContact O-CB 3.11Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.06Å
74	L	42.4	Very low	41.4	Very low	91 Å²	91	103.1 Å²	103.1	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-64.8	-42.2	173.1	-165.8	75.2	0	0	0	110.3	F70 E71 L77 T78	F70-L74 WeakPolarHBondContact O-CA 3.17Å; F70-L74 WeakPolarHBondContact O-CB 3.3Å; F70-L74 PolarHBondContact O-N 3.49Å; E71-L74 PolarHBondContact O-N 3.23Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-T78 HydrophobicContact CD1-CG2 4.23Å; L74-T78 HydrophobicContact CG-CG2 4.08Å; L74-T78 WeakPolarHBondContact O-CA 3.18Å; L74-T78 WeakPolarHBondContact O-CB 3.37Å; L74-T78 WeakPolarHBondContact O-CG2 3.43Å; L74-T78 PolarHBondContact O-N 3.47Å; L74-T78 PolarHBondContact O-OG1 3.09Å
75	L	44	Very low	42	Very low	56 Å²	56	106.6 Å²	106.6	29%	0.293	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-41.7	173.5	-81.5	161.2	0	0	0	112	E71 V72 S79 P196	E71-L75 VanDerWaalsContact O-CB 3.28Å; E71-L75 WeakPolarHBondContact O-CB 3.28Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 2.75Å; V72-L75 PolarHBondContact O-N 2.87Å; L75-S79 WeakPolarHBondContact O-CA 3.48Å; L75-S79 WeakPolarHBondContact O-CB 3.49Å; L75-S79 PolarHBondContact O-N 3.45Å; L75-S79 PolarHBondContact O-OG 2.99Å; L75-P196 HydrophobicContact CD1-CB 4.08Å
76	I	43.4	Very low	43.2	Very low	50 Å²	50	105.4 Å²	105.4	26%	0.256	54%	0.539	S	S	.	.	H	α-helix	trans	-66.5	-41.7	175.8	-71.7	167.2	0	0	0	111	V72 L73 S79 Y200 M203	V72-I76 HydrophobicContact CG1-CD1 3.64Å; V72-I76 HydrophobicContact CG1-CG1 4.28Å; V72-I76 VanDerWaalsContact O-CB 3.27Å; V72-I76 WeakPolarHBondContact O-CB 3.38Å; V72-I76 WeakPolarHBondContact O-CD1 3.15Å; V72-I76 WeakPolarHBondContact O-CG1 3.44Å; V72-I76 PolarHBondContact O-N 3.07Å; L73-I76 PolarHBondContact O-N 2.91Å; I76-S79 PolarHBondContact O-OG 3.2Å; I76-Y200 HydrophobicContact CD1-CD2 4.3Å; I76-Y200 HydrophobicContact CG1-CD2 3.94Å; I76-Y200 HydrophobicContact CG1-CE2 4Å; I76-M203 HydrophobicContact CD1-CE 4.27Å; I76-M203 HydrophobicContact CD1-SD 3.88Å
77	L	37.5	Very low	45.4	Very low	88 Å²	88	106.2 Å²	106.2	46%	0.461	55%	0.549	S	S	.	.	H	α-helix	trans	-74.7	-35.7	179.9	-71.3	174	0	0	0	111.7	L73 L74 R81	L73-L77 HydrophobicContact CD1-CD1 4.06Å; L73-L77 HydrophobicContact CD1-CG 4.03Å; L73-L77 HydrophobicContact CD2-CD1 4.2Å; L73-L77 HydrophobicContact CG-CD1 3.62Å; L73-L77 HydrophobicContact CG-CG 4.03Å; L73-L77 WeakPolarHBondContact O-CA 3.45Å; L73-L77 WeakPolarHBondContact O-CB 3.11Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.06Å; L74-L77 PolarHBondContact O-N 3.29Å; L77-R81 PolarHBondContact O-N 2.91Å
78	T	43.3	Very low	47.7	Very low	82 Å²	82	103.6 Å²	103.6	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-84.9	-28	178.9	59.2	0	0	0	0	112.5	L74 G80	L74-T78 HydrophobicContact CD1-CG2 4.23Å; L74-T78 HydrophobicContact CG-CG2 4.08Å; L74-T78 WeakPolarHBondContact O-CA 3.18Å; L74-T78 WeakPolarHBondContact O-CB 3.37Å; L74-T78 WeakPolarHBondContact O-CG2 3.43Å; L74-T78 PolarHBondContact O-N 3.47Å; L74-T78 PolarHBondContact O-OG1 3.09Å; T78-G80 PolarHBondContact O-N 3.34Å
79	S	45.6	Very low	50	Low	39 Å²	39	98.4 Å²	98.4	27%	0.273	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.8	173.5	77.1	0	0	0	0	113.2	L75 I76	L75-S79 WeakPolarHBondContact O-CA 3.48Å; L75-S79 WeakPolarHBondContact O-CB 3.49Å; L75-S79 PolarHBondContact O-N 3.45Å; L75-S79 PolarHBondContact O-OG 2.99Å; I76-S79 PolarHBondContact O-OG 3.2Å
80	G	38.2	Very low	52.4	Low	62 Å²	62	98.8 Å²	98.8	64%	0.639	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-4.8	-177.5	0	0	0	0	0	115.9	T78	T78-G80 PolarHBondContact O-N 3.34Å
81	R	35.5	Very low	54.8	Low	197 Å²	197	96.5 Å²	96.5	74%	0.743	49%	0.49	S	S	*	.			trans	-145.9	79.5	-178.2	-73.6	-175.6	176.4	169.5	-1.1	112.6	L77	L77-R81 PolarHBondContact O-N 2.91Å
82	R	42.1	Very low	57.1	Low	181 Å²	181	91.9 Å²	91.9	68%	0.683	48%	0.481	S	S	*	.			trans	-91.4	117.5	134.9	-76.1	-171	-172.4	-173.8	3.4	106.8	G84	R82-G84 PolarHBondContact O-N 3.34Å
83	H	36.5	Very low	59.3	Low	201 Å²	201	92.4 Å²	92.4	93%	0.931	49%	0.489	S	S	*	.			trans	-56.1	103.8	172.6	-108.5	-1.7	0	0	0	109.2
84	G	41.8	Very low	61.7	Low	51 Å²	51	93.7 Å²	93.7	53%	0.526	50%	0.503	S	S	.	.			trans	-173.6	108.9	174.8	0	0	0	0	0	109.6	R82	R82-G84 PolarHBondContact O-N 3.34Å
85	E	53.1	Low	64.1	Low	167 Å²	167	91.1 Å²	91.1	78%	0.78	49%	0.491	S	S	*	.			trans	47.4	113	175	-69.7	-178	159.7	0	0	118.4	N87 V88	E85-N87 PolarHBondContact O-N 3.4Å; E85-N87 VanDerWaalsContact O-N 3.14Å; E85-V88 HydrophobicContact CB-CG2 3.81Å
86	K	64.4	Low	66.4	Low	202 Å²	202	95.4 Å²	95.4	88%	0.878	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	123.3	162.8	-75	178.9	177.5	177.1	0	107.5
87	N	81.2	Confident	68.7	Low	127 Å²	127	93.9 Å²	93.9	68%	0.679	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	15.6	172.7	-43	-37.9	0	0	0	118.2	E85 G89 E90	E85-N87 PolarHBondContact O-N 3.4Å; E85-N87 VanDerWaalsContact O-N 3.14Å; N87-G89 PolarHBondContact O-N 2.82Å; N87-G89 VanDerWaalsContact O-N 3.17Å; N87-E90 VanDerWaalsContact CA-CG 3.46Å; N87-E90 HydrophobicContact CB-CB 4.07Å; N87-E90 HydrophobicContact CB-CG 3.8Å; N87-E90 WeakPolarHBondContact O-CB 3.18Å; N87-E90 PolarHBondContact O-N 3.33Å; N87-E90 VanDerWaalsContact O-N 3.15Å
88	V	90.2	Very high	71.4	Confident	32 Å²	32	93.4 Å²	93.4	19%	0.194	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	121.5	173.7	177.8	0	0	0	0	111.3	E85 E90 V95 H121	E85-V88 HydrophobicContact CB-CG2 3.81Å; V88-E90 PolarHBondContact O-N 2.9Å; V88-V95 HydrophobicContact CG1-CB 4.28Å; V88-V95 HydrophobicContact CG1-CG1 3.79Å; V88-V95 HydrophobicContact CG1-CG2 3.83Å; V88-H121 HydrophobicContact CG1-CB 4.1Å
89	G	92.6	Very high	73.7	Confident	2 Å²	2	96 Å²	96	2%	0.021	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	1.6	179.2	0	0	0	0	0	115.9	N87 G92 G93 R126	N87-G89 PolarHBondContact O-N 2.82Å; N87-G89 VanDerWaalsContact O-N 3.17Å; G89-G92 PolarHBondContact O-N 2.85Å; G89-G93 WeakPolarHBondContact CA-O 3.33Å; G89-R126 WeakPolarHBondContact O-CD 3.29Å; G89-R126 PolarHBondContact O-NH1 3.46Å
90	E	93.3	Very high	76.1	Confident	50 Å²	50	100.2 Å²	100.2	23%	0.234	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-61.5	148.4	175.2	-70.4	-64.3	144.4	0	0	111.3	N87 V88 G92 G93 R126 S127	N87-E90 VanDerWaalsContact CA-CG 3.46Å; N87-E90 HydrophobicContact CB-CB 4.07Å; N87-E90 HydrophobicContact CB-CG 3.8Å; N87-E90 WeakPolarHBondContact O-CB 3.18Å; N87-E90 PolarHBondContact O-N 3.33Å; N87-E90 VanDerWaalsContact O-N 3.15Å; V88-E90 PolarHBondContact O-N 2.9Å; E90-G92 PolarHBondContact O-N 3.1Å; E90-G93 PolarHBondContact O-N 2.83Å; E90-R126 VanDerWaalsContact OE1-CA 3.27Å; E90-R126 WeakPolarHBondContact OE1-CA 3.45Å; E90-R126 WeakPolarHBondContact OE1-CB 3.43Å; E90-S127 VanDerWaalsContact OE2-CB 3.25Å; E90-S127 WeakPolarHBondContact OE2-CB 3.31Å; E90-S127 PolarHBondContact OE2-N 3.48Å; E90-S127 PolarHBondContact OE2-OG 3.43Å
91	M	93.4	Very high	78.7	Confident	104 Å²	104	99.1 Å²	99.1	51%	0.512	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	53.6	23.9	-175.1	-61.2	-61.3	-68.7	0	0	114	G93 S127 P129	M91-G93 VanDerWaalsContact C-N 3.29Å; M91-S127 WeakPolarHBondContact CA-O 3.22Å; M91-S127 PolarHBondContact N-O 3.03Å; M91-S127 PolarHBondContact N-OG 3.45Å; M91-S127 PolarHBondContact SD-OG 3.05Å; M91-S127 VanDerWaalsContact SD-OG 3.34Å; M91-P129 HydrophobicContact CE-CB 4.32Å; M91-P129 HydrophobicContact CE-CG 4.34Å; M91-P129 WeakPolarHBondContact O-CD 3.19Å; M91-P129 VanDerWaalsContact O-CG 3.23Å; M91-P129 WeakPolarHBondContact O-CG 3.36Å
92	G	91.9	Very high	81.5	Confident	44 Å²	44	96.4 Å²	96.4	45%	0.454	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	74.1	16.8	-176.6	0	0	0	0	0	114.2	G89 E90	G89-G92 PolarHBondContact O-N 2.85Å; E90-G92 PolarHBondContact O-N 3.1Å
93	G	92.3	Very high	84	Confident	28 Å²	28	92.4 Å²	92.4	29%	0.289	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-59.7	152.4	176.6	0	0	0	0	0	112.8	G89 E90 M91	G89-G93 WeakPolarHBondContact CA-O 3.33Å; E90-G93 PolarHBondContact O-N 2.83Å; M91-G93 VanDerWaalsContact C-N 3.29Å
94	P	93	Very high	86.8	Confident	113 Å²	113	85.4 Å²	85.4	73%	0.734	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-67.1	148.2	176.2	29.6	-34.6	0	0	0	111
95	V	93.1	Very high	89.2	Confident	37 Å²	37	83.4 Å²	83.4	22%	0.224	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-96	122.7	171.6	-179	0	0	0	0	108.1	V88 L97 A118 H121 V122	V88-V95 HydrophobicContact CG1-CB 4.28Å; V88-V95 HydrophobicContact CG1-CG1 3.79Å; V88-V95 HydrophobicContact CG1-CG2 3.83Å; V95-L97 HydrophobicContact CG1-CD2 3.86Å; V95-L97 HydrophobicContact CG1-CG 4.44Å; V95-A118 HydrophobicContact CB-CB 4.12Å; V95-A118 HydrophobicContact CG1-CB 4.04Å; V95-H121 HydrophobicContact CG1-CB 4.36Å; V95-V122 HydrophobicContact CG2-CG2 3.41Å; V95-V122 VanDerWaalsContact CG2-CG2 3.41Å
96	I	92.2	Very high	91.1	Very high	147 Å²	147	80.4 Å²	80.4	75%	0.754	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-100	118.9	175.9	-52.2	-56.9	0	0	0	108
97	L	91.7	Very high	92.5	Very high	17 Å²	17	78.9 Å²	78.9	9%	0.089	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-97.9	142.8	-179.5	-64.3	-177.9	0	0	0	110.5	V95 E101 R102 A105 N115 V117 A118	V95-L97 HydrophobicContact CG1-CD2 3.86Å; V95-L97 HydrophobicContact CG1-CG 4.44Å; L97-E101 HydrophobicContact CB-CB 3.85Å; L97-E101 HydrophobicContact CD1-CB 4.43Å; L97-E101 HydrophobicContact CD2-CB 4.12Å; L97-E101 HydrophobicContact CG-CB 4.35Å; L97-R102 HydrophobicContact CB-CG 3.81Å; L97-R102 PolarHBondContact O-NE 2.91Å; L97-A105 HydrophobicContact CD1-CB 3.89Å; L97-N115 WeakPolarHBondContact CD1-ND2 3.46Å; L97-V117 HydrophobicContact CD1-CG1 4.31Å; L97-V117 HydrophobicContact CD2-CG1 4.39Å; L97-A118 HydrophobicContact CD1-CB 4.22Å; L97-A118 HydrophobicContact CD2-CB 4.44Å
98	N	93.6	Very high	93.1	Very high	79 Å²	79	74.9 Å²	74.9	42%	0.422	39%	0.392	S	S	.	.			trans	-69.9	178.6	171.2	68.4	44.6	0	0	0	111.3	D100 E101 R102	N98-D100 PolarHBondContact OD1-N 2.8Å; N98-D100 VanDerWaalsContact OD1-N 3.17Å; N98-E101 VanDerWaalsContact CG-OE2 3.28Å; N98-E101 PolarHBondContact N-OE2 3.5Å; N98-E101 PolarHBondContact ND2-OE1 3.47Å; N98-E101 PolarHBondContact ND2-OE2 3.37Å; N98-E101 VanDerWaalsContact ND2-OE2 3.14Å; N98-E101 WeakPolarHBondContact OD1-CB 3.47Å; N98-E101 WeakPolarHBondContact OD1-CG 3.26Å; N98-E101 PolarHBondContact OD1-N 2.83Å; N98-R102 WeakPolarHBondContact O-CB 3.32Å; N98-R102 VanDerWaalsContact O-CG 3.27Å; N98-R102 WeakPolarHBondContact O-CG 3.26Å; N98-R102 PolarHBondContact O-N 2.88Å; N98-R102 PolarHBondContact O-NE 3.5Å
99	E	93.2	Very high	93.1	Very high	135 Å²	135	76.5 Å²	76.5	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-64.7	-44.2	-176	-167.4	166.2	-177.7	0	0	113	E101 R102 N103	E99-E101 PolarHBondContact O-N 3.06Å; E99-R102 PolarHBondContact O-N 3.47Å; E99-N103 PolarHBondContact O-N 3.38Å; E99-N103 PolarHBondContact O-ND2 3.03Å
100	D	94.5	Very high	92.8	Very high	129 Å²	129	83.9 Å²	83.9	69%	0.69	43%	0.431	S	S	*	.	H	α-helix	trans	-63.3	-43.7	177.6	-65.6	-31.2	0	0	0	111.7	N98 R102 N103 E104	N98-D100 PolarHBondContact OD1-N 2.8Å; N98-D100 VanDerWaalsContact OD1-N 3.17Å; D100-R102 VanDerWaalsContact C-N 3.32Å; D100-R102 PolarHBondContact O-N 3.15Å; D100-N103 WeakPolarHBondContact O-CB 3.41Å; D100-N103 PolarHBondContact O-N 2.76Å; D100-E104 PolarHBondContact O-N 3.47Å
101	E	94.1	Very high	92.6	Very high	38 Å²	38	86 Å²	86	18%	0.178	44%	0.441	C	S	.	.	H	α-helix	trans	-66.1	-32.9	176.3	-72.3	167.7	167.5	0	0	112.3	L97 N98 E99 E104 A105 V117 H121	L97-E101 HydrophobicContact CB-CB 3.85Å; L97-E101 HydrophobicContact CD1-CB 4.43Å; L97-E101 HydrophobicContact CD2-CB 4.12Å; L97-E101 HydrophobicContact CG-CB 4.35Å; N98-E101 VanDerWaalsContact CG-OE2 3.28Å; N98-E101 PolarHBondContact N-OE2 3.5Å; N98-E101 PolarHBondContact ND2-OE1 3.47Å; N98-E101 PolarHBondContact ND2-OE2 3.37Å; N98-E101 VanDerWaalsContact ND2-OE2 3.14Å; N98-E101 WeakPolarHBondContact OD1-CB 3.47Å; N98-E101 WeakPolarHBondContact OD1-CG 3.26Å; N98-E101 PolarHBondContact OD1-N 2.83Å; E99-E101 PolarHBondContact O-N 3.06Å; E101-E104 PolarHBondContact O-N 3.3Å; E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 2.86Å; E101-V117 HydrophobicContact CB-CG1 4.33Å; E101-H121 IonicContact OE1-CE1 3.74Å; E101-H121 PolarHBondContact OE1-CE1 2.56Å; E101-H121 IonicContact OE1-NE2 3.78Å; E101-H121 PolarHBondContact OE1-NE2 3.2Å
102	R	93.7	Very high	92.4	Very high	140 Å²	140	81.2 Å²	81.2	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-68.1	-39.1	173.6	-80.8	-179.2	-76.1	170.7	0.9	111.7	L97 N98 E99 D100 A105 T106	L97-R102 HydrophobicContact CB-CG 3.81Å; L97-R102 PolarHBondContact O-NE 2.91Å; N98-R102 WeakPolarHBondContact O-CB 3.32Å; N98-R102 VanDerWaalsContact O-CG 3.27Å; N98-R102 WeakPolarHBondContact O-CG 3.26Å; N98-R102 PolarHBondContact O-N 2.88Å; N98-R102 PolarHBondContact O-NE 3.5Å; E99-R102 PolarHBondContact O-N 3.47Å; D100-R102 VanDerWaalsContact C-N 3.32Å; D100-R102 PolarHBondContact O-N 3.15Å; R102-A105 PolarHBondContact O-N 2.76Å; R102-T106 WeakPolarHBondContact O-CB 2.81Å; R102-T106 PolarHBondContact O-N 2.77Å; R102-T106 PolarHBondContact O-OG1 3.39Å
103	N	94.6	Very high	92.5	Very high	98 Å²	98	80.6 Å²	80.6	52%	0.524	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-44.8	174.4	-68.5	-28.4	0	0	0	110.6	E99 D100 T106 R107	E99-N103 PolarHBondContact O-N 3.38Å; E99-N103 PolarHBondContact O-ND2 3.03Å; D100-N103 WeakPolarHBondContact O-CB 3.41Å; D100-N103 PolarHBondContact O-N 2.76Å; N103-T106 PolarHBondContact O-N 3.48Å; N103-R107 PolarHBondContact O-N 2.73Å; N103-R107 VanDerWaalsContact O-N 3.09Å
104	E	94.2	Very high	92.5	Very high	54 Å²	54	79.9 Å²	79.9	25%	0.252	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-47.3	173.8	-171.3	60	-145.5	0	0	112	D100 E101 T106 R107 R108 V117	D100-E104 PolarHBondContact O-N 3.47Å; E101-E104 PolarHBondContact O-N 3.3Å; E104-T106 VanDerWaalsContact C-N 3.27Å; E104-T106 PolarHBondContact O-N 3.34Å; E104-R107 PolarHBondContact O-N 2.71Å; E104-R107 IonicContact OE1-CZ 3.39Å; E104-R107 IonicContact OE1-NE 3.94Å; E104-R107 IonicContact OE1-NH2 3.86Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-CZ 2.86Å; E104-R107 IonicContact OE2-NE 2.97Å; E104-R107 IonicContact OE2-NH1 2.69Å; E104-R107 PolarHBondContact OE2-NH1 3.08Å; E104-R107 IonicContact OE2-NH2 3.86Å; E104-R107 PolarHBondContact OE2-NH2 3.37Å; E104-R108 HydrophobicContact CG-CG 4.47Å; E104-R108 WeakPolarHBondContact O-CB 3.32Å; E104-R108 WeakPolarHBondContact O-CG 3.12Å; E104-R108 PolarHBondContact O-N 3.26Å; E104-R108 WeakPolarHBondContact OE1-CD 3.45Å; E104-R108 VanDerWaalsContact OE1-CG 3.3Å; E104-R108 WeakPolarHBondContact OE1-CG 3.32Å; E104-V117 HydrophobicContact CB-CG2 4.17Å; E104-V117 HydrophobicContact CG-CG2 3.69Å
105	A	93.3	Very high	92.5	Very high	8 Å²	8	77.2 Å²	77.2	7%	0.066	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-39.2	178.9	0	0	0	0	0	111.6	L97 E101 R102 F109 N115 V117	L97-A105 HydrophobicContact CD1-CB 3.89Å; E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 2.86Å; R102-A105 PolarHBondContact O-N 2.76Å; A105-F109 WeakPolarHBondContact O-CB 3.47Å; A105-F109 PolarHBondContact O-N 3.26Å; A105-N115 VanDerWaalsContact CB-OD1 3.32Å; A105-N115 WeakPolarHBondContact CB-OD1 3.36Å; A105-V117 HydrophobicContact CB-CB 4.05Å; A105-V117 HydrophobicContact CB-CG2 4.12Å
106	T	93.3	Very high	92.5	Very high	105 Å²	105	75.6 Å²	75.6	64%	0.644	36%	0.362	S	S	*	.	H	α-helix	trans	-65.1	-43.8	177.2	-58.8	0	0	0	0	111.1	R102 N103 E104	R102-T106 WeakPolarHBondContact O-CB 2.81Å; R102-T106 PolarHBondContact O-N 2.77Å; R102-T106 PolarHBondContact O-OG1 3.39Å; N103-T106 PolarHBondContact O-N 3.48Å; E104-T106 VanDerWaalsContact C-N 3.27Å; E104-T106 PolarHBondContact O-N 3.34Å
107	R	93.1	Very high	92.6	Very high	169 Å²	169	68.8 Å²	68.8	64%	0.638	33%	0.327	S	S	*	.	H	α-helix	trans	-64.2	-46.8	177.3	-173.4	177	69.2	-150.4	10.7	111.7	N103 E104 F109	N103-R107 PolarHBondContact O-N 2.73Å; N103-R107 VanDerWaalsContact O-N 3.09Å; E104-R107 PolarHBondContact O-N 2.71Å; E104-R107 IonicContact OE1-CZ 3.39Å; E104-R107 IonicContact OE1-NE 3.94Å; E104-R107 IonicContact OE1-NH2 3.86Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-CZ 2.86Å; E104-R107 IonicContact OE2-NE 2.97Å; E104-R107 IonicContact OE2-NH1 2.69Å; E104-R107 PolarHBondContact OE2-NH1 3.08Å; E104-R107 IonicContact OE2-NH2 3.86Å; E104-R107 PolarHBondContact OE2-NH2 3.37Å; R107-F109 VanDerWaalsContact C-N 3.32Å; R107-F109 PolarHBondContact O-N 2.85Å
108	R	93	Very high	92.7	Very high	43 Å²	43	68.7 Å²	68.7	16%	0.162	33%	0.328	C	S	.	.	H	α-helix	trans	-81	-7.8	-176.5	-65.6	-173.6	58	-158.1	-0.3	114.1	E104 Q110 E111 E120	E104-R108 HydrophobicContact CG-CG 4.47Å; E104-R108 WeakPolarHBondContact O-CB 3.32Å; E104-R108 WeakPolarHBondContact O-CG 3.12Å; E104-R108 PolarHBondContact O-N 3.26Å; E104-R108 WeakPolarHBondContact OE1-CD 3.45Å; E104-R108 VanDerWaalsContact OE1-CG 3.3Å; E104-R108 WeakPolarHBondContact OE1-CG 3.32Å; R108-Q110 PolarHBondContact O-N 3.44Å; R108-Q110 VanDerWaalsContact O-N 3.09Å; R108-E111 WeakPolarHBondContact CG-OE1 3.1Å; R108-E111 IonicContact CZ-OE2 2.64Å; R108-E111 IonicContact NE-OE1 2.57Å; R108-E111 PolarHBondContact NE-OE1 3.13Å; R108-E111 IonicContact NE-OE2 3.06Å; R108-E111 PolarHBondContact NE-OE2 3.39Å; R108-E111 VanDerWaalsContact NE-OE2 3.16Å; R108-E111 IonicContact NH2-OE2 3.17Å; R108-E111 PolarHBondContact NH2-OE2 3.22Å; R108-E111 WeakPolarHBondContact O-CB 3.24Å; R108-E111 WeakPolarHBondContact O-CG 3.45Å; R108-E111 PolarHBondContact O-N 2.87Å; R108-E111 VanDerWaalsContact O-N 3.07Å; R108-E120 IonicContact CZ-OE1 3.37Å; R108-E120 IonicContact CZ-OE2 2.83Å; R108-E120 IonicContact NH1-OE1 3.61Å; R108-E120 PolarHBondContact NH1-OE1 3.35Å; R108-E120 IonicContact NH1-OE2 3.37Å; R108-E120 PolarHBondContact NH1-OE2 3.42Å; R108-E120 IonicContact NH2-OE1 2.66Å; R108-E120 PolarHBondContact NH2-OE1 3.09Å; R108-E120 IonicContact NH2-OE2 3.16Å
109	F	90.6	Very high	92.8	Very high	66 Å²	66	65.4 Å²	65.4	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-56	-31.3	177.9	-164.8	-89.7	0	0	0	112.4	A105 R107 E111 Q113 K343	A105-F109 WeakPolarHBondContact O-CB 3.47Å; A105-F109 PolarHBondContact O-N 3.26Å; R107-F109 VanDerWaalsContact C-N 3.32Å; R107-F109 PolarHBondContact O-N 2.85Å; F109-E111 VanDerWaalsContact C-N 3.27Å; F109-E111 PolarHBondContact O-N 3.46Å; F109-Q113 HydrophobicContact CE1-CB 4.48Å; F109-Q113 WeakPolarHBondContact CZ-O 3.48Å; F109-Q113 WeakPolarHBondContact O-CA 3.27Å; F109-Q113 PolarHBondContact O-N 2.72Å; F109-K343 HydrophobicContact CE1-CB 4.03Å; F109-K343 HydrophobicContact CE1-CD 4.2Å; F109-K343 HydrophobicContact CZ-CB 4.06Å; F109-K343 HydrophobicContact CZ-CD 4.42Å
110	Q	87.1	Confident	92.9	Very high	158 Å²	158	63 Å²	63	74%	0.738	30%	0.3	S	S	*	.	H	α-helix	trans	-67.3	-26.2	-178.3	-62.3	-173.1	7.7	0	0	113.4	R108 N112 Q113	R108-Q110 PolarHBondContact O-N 3.44Å; R108-Q110 VanDerWaalsContact O-N 3.09Å; Q110-N112 PolarHBondContact O-N 2.88Å; Q110-Q113 PolarHBondContact O-NE2 3.24Å
111	E	88.9	Confident	92.8	Very high	93 Å²	93	59 Å²	59	44%	0.435	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-45.9	-176.4	-63.3	172.2	-176.2	0	0	111.9	R108 F109	R108-E111 WeakPolarHBondContact CG-OE1 3.1Å; R108-E111 IonicContact CZ-OE2 2.64Å; R108-E111 IonicContact NE-OE1 2.57Å; R108-E111 PolarHBondContact NE-OE1 3.13Å; R108-E111 IonicContact NE-OE2 3.06Å; R108-E111 PolarHBondContact NE-OE2 3.39Å; R108-E111 VanDerWaalsContact NE-OE2 3.16Å; R108-E111 IonicContact NH2-OE2 3.17Å; R108-E111 PolarHBondContact NH2-OE2 3.22Å; R108-E111 WeakPolarHBondContact O-CB 3.24Å; R108-E111 WeakPolarHBondContact O-CG 3.45Å; R108-E111 PolarHBondContact O-N 2.87Å; R108-E111 VanDerWaalsContact O-N 3.07Å; F109-E111 VanDerWaalsContact C-N 3.27Å; F109-E111 PolarHBondContact O-N 3.46Å
112	N	90.1	Very high	92.8	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-135.4	1.7	-174.6	-65.3	92.8	0	0	0	114.8	Q110 F114 V116 N156 A158 R342	Q110-N112 PolarHBondContact O-N 2.88Å; N112-F114 VanDerWaalsContact C-N 3.27Å; N112-F114 HydrophobicContact CB-CD1 3.79Å; N112-F114 HydrophobicContact CB-CE1 3.33Å; N112-F114 HydrophobicContact CB-CE2 4.39Å; N112-F114 HydrophobicContact CB-CZ 3.65Å; N112-F114 VanDerWaalsContact O-CD1 3.25Å; N112-F114 WeakPolarHBondContact O-CD1 3.05Å; N112-F114 PolarHBondContact O-N 2.72Å; N112-V116 HydrophobicContact CB-CG2 4.05Å; N112-N156 PolarHBondContact ND2-O 3.29Å; N112-A158 PolarHBondContact ND2-N 3.31Å; N112-R342 WeakPolarHBondContact O-CD 3.07Å; N112-R342 PolarHBondContact O-NE 3Å
113	Q	92.2	Very high	92.8	Very high	31 Å²	31	53.7 Å²	53.7	15%	0.145	27%	0.265	C	S	.	.	S	Bend	trans	63.4	28.5	-179.5	-56.4	-68	-57.4	0	0	114.5	F109 Q110 R342 K343 R344 P346	F109-Q113 HydrophobicContact CE1-CB 4.48Å; F109-Q113 WeakPolarHBondContact CZ-O 3.48Å; F109-Q113 WeakPolarHBondContact O-CA 3.27Å; F109-Q113 PolarHBondContact O-N 2.72Å; Q110-Q113 PolarHBondContact O-NE2 3.24Å; Q113-R342 HydrophobicContact CB-CB 4.15Å; Q113-K343 PolarHBondContact O-N 2.87Å; Q113-R344 VanDerWaalsContact CB-O 3.29Å; Q113-R344 WeakPolarHBondContact CB-O 3.08Å; Q113-R344 HydrophobicContact CG-CB 4.45Å; Q113-R344 WeakPolarHBondContact CG-O 3.22Å; Q113-P346 HydrophobicContact CG-CB 3.9Å
114	F	92.5	Very high	92.8	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	25%	0.246	C	C	.	.	S	Bend	trans	-148.7	171.5	167.6	62	-99.3	0	0	0	110	N112 V116 A158 T161 V340 R342	N112-F114 VanDerWaalsContact C-N 3.27Å; N112-F114 HydrophobicContact CB-CD1 3.79Å; N112-F114 HydrophobicContact CB-CE1 3.33Å; N112-F114 HydrophobicContact CB-CE2 4.39Å; N112-F114 HydrophobicContact CB-CZ 3.65Å; N112-F114 VanDerWaalsContact O-CD1 3.25Å; N112-F114 WeakPolarHBondContact O-CD1 3.05Å; N112-F114 PolarHBondContact O-N 2.72Å; F114-V116 HydrophobicContact CD2-CG2 4.11Å; F114-V116 HydrophobicContact CE2-CB 4.46Å; F114-V116 HydrophobicContact CE2-CG2 3.74Å; F114-V116 HydrophobicContact CZ-CG2 4.27Å; F114-V116 PolarHBondContact O-N 3.45Å; F114-A158 HydrophobicContact CE2-CB 4.33Å; F114-A158 HydrophobicContact CZ-CB 3.82Å; F114-T161 HydrophobicContact CE1-CG2 4.47Å; F114-T161 HydrophobicContact CE2-CG2 3.56Å; F114-T161 HydrophobicContact CZ-CG2 3.51Å; F114-V340 HydrophobicContact CB-CG1 3.88Å; F114-V340 HydrophobicContact CD1-CG1 4.06Å; F114-V340 HydrophobicContact CD2-CG1 4.39Å; F114-V340 HydrophobicContact CG-CG1 3.88Å; F114-R342 HydrophobicContact CD1-CG 4.22Å
115	N	93.7	Very high	92.7	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	26%	0.256	S	S	.	.			trans	-77.7	88	-178	-169.7	-17.7	0	0	0	111.6	L97 A105 V117 A118 S119	L97-N115 WeakPolarHBondContact CD1-ND2 3.46Å; A105-N115 VanDerWaalsContact CB-OD1 3.32Å; A105-N115 WeakPolarHBondContact CB-OD1 3.36Å; N115-V117 VanDerWaalsContact C-N 3.32Å; N115-V117 PolarHBondContact O-N 3.37Å; N115-V117 PolarHBondContact OD1-N 3.38Å; N115-A118 HydrophobicContact CB-CB 4.04Å; N115-A118 VanDerWaalsContact CG-CB 3.44Å; N115-A118 PolarHBondContact O-N 2.73Å; N115-A118 PolarHBondContact OD1-N 2.62Å; N115-S119 PolarHBondContact O-N 3.14Å; N115-S119 VanDerWaalsContact O-N 3.12Å
116	V	93.3	Very high	92.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-37.6	179.6	-176.2	0	0	0	0	111.5	N112 F114 S119 E120 A158	N112-V116 HydrophobicContact CB-CG2 4.05Å; F114-V116 HydrophobicContact CD2-CG2 4.11Å; F114-V116 HydrophobicContact CE2-CB 4.46Å; F114-V116 HydrophobicContact CE2-CG2 3.74Å; F114-V116 HydrophobicContact CZ-CG2 4.27Å; F114-V116 PolarHBondContact O-N 3.45Å; V116-S119 CarbonylContact O-C 3.57Å; V116-S119 WeakPolarHBondContact O-CA 3.44Å; V116-S119 WeakPolarHBondContact O-CB 3.32Å; V116-S119 PolarHBondContact O-N 3.24Å; V116-S119 VanDerWaalsContact O-N 3.11Å; V116-E120 HydrophobicContact CG1-CG 4.37Å; V116-E120 WeakPolarHBondContact O-CG 3.46Å; V116-E120 PolarHBondContact O-N 2.95Å; V116-A158 HydrophobicContact CG1-CB 4.22Å; V116-A158 HydrophobicContact CG2-CB 4.43Å
117	V	94.2	Very high	92.8	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-51.9	177.7	178.9	0	0	0	0	110.2	L97 E101 E104 A105 N115 S119 E120 H121	L97-V117 HydrophobicContact CD1-CG1 4.31Å; L97-V117 HydrophobicContact CD2-CG1 4.39Å; E101-V117 HydrophobicContact CB-CG1 4.33Å; E104-V117 HydrophobicContact CB-CG2 4.17Å; E104-V117 HydrophobicContact CG-CG2 3.69Å; A105-V117 HydrophobicContact CB-CB 4.05Å; A105-V117 HydrophobicContact CB-CG2 4.12Å; N115-V117 VanDerWaalsContact C-N 3.32Å; N115-V117 PolarHBondContact O-N 3.37Å; N115-V117 PolarHBondContact OD1-N 3.38Å; V117-S119 VanDerWaalsContact C-N 3.26Å; V117-S119 PolarHBondContact O-N 3.4Å; V117-E120 WeakPolarHBondContact O-CB 3.15Å; V117-E120 PolarHBondContact O-N 2.73Å; V117-H121 PolarHBondContact O-CD2 3.1Å; V117-H121 PolarHBondContact O-N 3.28Å
118	A	94.5	Very high	92.8	Very high	14 Å²	14	43.4 Å²	43.4	12%	0.116	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-40.8	174.8	0	0	0	0	0	112.1	V95 L97 N115 E120 H121 V122	V95-A118 HydrophobicContact CB-CB 4.12Å; V95-A118 HydrophobicContact CG1-CB 4.04Å; L97-A118 HydrophobicContact CD1-CB 4.22Å; L97-A118 HydrophobicContact CD2-CB 4.44Å; N115-A118 HydrophobicContact CB-CB 4.04Å; N115-A118 VanDerWaalsContact CG-CB 3.44Å; N115-A118 PolarHBondContact O-N 2.73Å; N115-A118 PolarHBondContact OD1-N 2.62Å; A118-E120 VanDerWaalsContact C-N 3.3Å; A118-E120 PolarHBondContact O-N 3.5Å; A118-H121 PolarHBondContact O-N 3.34Å; A118-V122 WeakPolarHBondContact O-CG2 3.24Å; A118-V122 PolarHBondContact O-N 3.12Å
119	S	95.4	Very high	92.6	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-37.1	175.5	-176	0	0	0	0	112.2	N115 V116 V117 H121 V122 S160 R164	N115-S119 PolarHBondContact O-N 3.14Å; N115-S119 VanDerWaalsContact O-N 3.12Å; V116-S119 CarbonylContact O-C 3.57Å; V116-S119 WeakPolarHBondContact O-CA 3.44Å; V116-S119 WeakPolarHBondContact O-CB 3.32Å; V116-S119 PolarHBondContact O-N 3.24Å; V116-S119 VanDerWaalsContact O-N 3.11Å; V117-S119 VanDerWaalsContact C-N 3.26Å; V117-S119 PolarHBondContact O-N 3.4Å; S119-H121 VanDerWaalsContact C-N 3.28Å; S119-H121 PolarHBondContact O-N 2.02Å; S119-V122 PolarHBondContact O-N 3.06Å; S119-S160 WeakPolarHBondContact CB-OG 3.47Å; S119-S160 WeakPolarHBondContact OG-CB 3.47Å; S119-S160 PolarHBondContact OG-OG 2.91Å; S119-R164 PolarHBondContact O-NH2 3.2Å; S119-R164 PolarHBondContact OG-NH1 3.41Å; S119-R164 PolarHBondContact OG-NH2 3.47Å
120	E	94.1	Very high	92.4	Very high	84 Å²	84	43.1 Å²	43.1	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-69.6	-23.3	178.9	-71.4	167.8	176.8	0	0	113.4	R108 V116 V117 A118	R108-E120 IonicContact CZ-OE1 3.37Å; R108-E120 IonicContact CZ-OE2 2.83Å; R108-E120 IonicContact NH1-OE1 3.61Å; R108-E120 PolarHBondContact NH1-OE1 3.35Å; R108-E120 IonicContact NH1-OE2 3.37Å; R108-E120 PolarHBondContact NH1-OE2 3.42Å; R108-E120 IonicContact NH2-OE1 2.66Å; R108-E120 PolarHBondContact NH2-OE1 3.09Å; R108-E120 IonicContact NH2-OE2 3.16Å; V116-E120 HydrophobicContact CG1-CG 4.37Å; V116-E120 WeakPolarHBondContact O-CG 3.46Å; V116-E120 PolarHBondContact O-N 2.95Å; V117-E120 WeakPolarHBondContact O-CB 3.15Å; V117-E120 PolarHBondContact O-N 2.73Å; A118-E120 VanDerWaalsContact C-N 3.3Å; A118-E120 PolarHBondContact O-N 3.5Å
121	H	92.5	Very high	92.2	Very high	46 Å²	46	39.8 Å²	39.8	21%	0.213	21%	0.207	C	C	.	.	H	α-helix	trans	-76.9	-22	171.7	-73	-86.4	0	0	0	113.4	V88 V95 E101 V117 A118 S119	V88-H121 HydrophobicContact CG1-CB 4.1Å; V95-H121 HydrophobicContact CG1-CB 4.36Å; E101-H121 IonicContact OE1-CE1 3.74Å; E101-H121 PolarHBondContact OE1-CE1 2.56Å; E101-H121 IonicContact OE1-NE2 3.78Å; E101-H121 PolarHBondContact OE1-NE2 3.2Å; V117-H121 PolarHBondContact O-CD2 3.1Å; V117-H121 PolarHBondContact O-N 3.28Å; A118-H121 PolarHBondContact O-N 3.34Å; S119-H121 VanDerWaalsContact C-N 3.28Å; S119-H121 PolarHBondContact O-N 2.02Å
122	V	93.8	Very high	91.5	Very high	10 Å²	10	35.7 Å²	35.7	6%	0.061	19%	0.188	C	C	.	.	S	Bend	trans	-87.6	129.3	-177	179.9	0	0	0	0	110.6	V95 A118 S119 L124 R126 R164	V95-V122 HydrophobicContact CG2-CG2 3.41Å; V95-V122 VanDerWaalsContact CG2-CG2 3.41Å; A118-V122 WeakPolarHBondContact O-CG2 3.24Å; A118-V122 PolarHBondContact O-N 3.12Å; S119-V122 PolarHBondContact O-N 3.06Å; V122-L124 PolarHBondContact O-N 3.03Å; V122-R126 HydrophobicContact CG1-CB 4.03Å; V122-R126 VanDerWaalsContact CG1-CD 3.44Å; V122-R126 HydrophobicContact CG1-CG 3.8Å; V122-R164 PolarHBondContact O-NH2 3.4Å
123	S	94.3	Very high	90.7	Very high	56 Å²	56	39.3 Å²	39.3	39%	0.392	22%	0.219	S	C	.	.			trans	-48.1	137.9	174.3	177.7	0	0	0	0	112.6	N125 R126 R164	S123-N125 PolarHBondContact O-N 3.32Å; S123-N125 PolarHBondContact OG-N 3.38Å; S123-N125 VanDerWaalsContact OG-N 3.14Å; S123-R126 PolarHBondContact O-N 3.48Å; S123-R164 PolarHBondContact O-NE 3.25Å
124	L	94.5	Very high	89.8	Confident	24 Å²	24	44 Å²	44	13%	0.126	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.3	171.7	-62.9	-179.5	0	0	0	112.2	V122 S160 L163 R164 H167	V122-L124 PolarHBondContact O-N 3.03Å; L124-S160 WeakPolarHBondContact CD2-O 3.44Å; L124-L163 HydrophobicContact CD1-CB 4.01Å; L124-L163 HydrophobicContact CD1-CD1 3.91Å; L124-L163 HydrophobicContact CD2-CB 3.89Å; L124-R164 HydrophobicContact CD2-CB 4.32Å; L124-R164 WeakPolarHBondContact O-CG 3.45Å; L124-H167 WeakPolarHBondContact O-CB 3.48Å
125	N	93.3	Very high	88.8	Confident	86 Å²	86	44.2 Å²	44.2	46%	0.46	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	37.3	177.8	-169	30.2	0	0	0	111.9	S123 N171	S123-N125 PolarHBondContact O-N 3.32Å; S123-N125 PolarHBondContact OG-N 3.38Å; S123-N125 VanDerWaalsContact OG-N 3.14Å; N125-N171 PolarHBondContact OD1-ND2 3.09Å
126	R	94.2	Very high	87.3	Confident	42 Å²	42	50.9 Å²	50.9	16%	0.158	27%	0.273	C	S	.	.			trans	-58.1	147.5	176.5	63.6	151.7	171.2	-166	4	112.1	G89 E90 V122 S123 R172 E243	G89-R126 WeakPolarHBondContact O-CD 3.29Å; G89-R126 PolarHBondContact O-NH1 3.46Å; E90-R126 VanDerWaalsContact OE1-CA 3.27Å; E90-R126 WeakPolarHBondContact OE1-CA 3.45Å; E90-R126 WeakPolarHBondContact OE1-CB 3.43Å; V122-R126 HydrophobicContact CG1-CB 4.03Å; V122-R126 VanDerWaalsContact CG1-CD 3.44Å; V122-R126 HydrophobicContact CG1-CG 3.8Å; S123-R126 PolarHBondContact O-N 3.48Å; R126-R172 PolarHBondContact O-NH2 2.75Å; R126-E243 IonicContact CZ-OE1 3.74Å; R126-E243 VanDerWaalsContact CZ-OE1 3.27Å; R126-E243 IonicContact CZ-OE2 3.7Å; R126-E243 IonicContact NE-OE1 3.26Å; R126-E243 PolarHBondContact NE-OE1 3.29Å; R126-E243 VanDerWaalsContact NE-OE1 3.17Å; R126-E243 IonicContact NE-OE2 2.78Å; R126-E243 PolarHBondContact NE-OE2 2.96Å; R126-E243 IonicContact NH2-OE1 3.41Å; R126-E243 PolarHBondContact NH2-OE1 3.38Å; R126-E243 IonicContact NH2-OE2 3.76Å
127	S	93.6	Very high	85.8	Confident	43 Å²	43	57.2 Å²	57.2	30%	0.301	30%	0.3	S	S	.	.			trans	-70.4	153.9	170.6	61.8	0	0	0	0	111.9	E90 M91	E90-S127 VanDerWaalsContact OE2-CB 3.25Å; E90-S127 WeakPolarHBondContact OE2-CB 3.31Å; E90-S127 PolarHBondContact OE2-N 3.48Å; E90-S127 PolarHBondContact OE2-OG 3.43Å; M91-S127 WeakPolarHBondContact CA-O 3.22Å; M91-S127 PolarHBondContact N-O 3.03Å; M91-S127 PolarHBondContact N-OG 3.45Å; M91-S127 PolarHBondContact SD-OG 3.05Å; M91-S127 VanDerWaalsContact SD-OG 3.34Å
128	L	92.8	Very high	83.9	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.126	32%	0.315	C	S	.	.			trans	-130.5	152.3	174.9	-69.5	-177.9	0	0	0	110.7	E243 T245	L128-E243 HydrophobicContact CD1-CB 3.8Å; L128-T245 HydrophobicContact CD1-CG2 4.19Å
129	P	89.3	Confident	82.2	Confident	30 Å²	30	60.9 Å²	60.9	20%	0.195	33%	0.333	C	S	.	.			trans	-58.8	143.6	174.8	-21.8	34.2	0	0	0	112.1	M91 Y131	M91-P129 HydrophobicContact CE-CB 4.32Å; M91-P129 HydrophobicContact CE-CG 4.34Å; M91-P129 WeakPolarHBondContact O-CD 3.19Å; M91-P129 VanDerWaalsContact O-CG 3.23Å; M91-P129 WeakPolarHBondContact O-CG 3.36Å; P129-Y131 HydrophobicContact CB-CD2 4.48Å; P129-Y131 HydrophobicContact CB-CE1 4.27Å; P129-Y131 HydrophobicContact CB-CE2 3.91Å; P129-Y131 HydrophobicContact CG-CE2 4.32Å; P129-Y131 WeakPolarHBondContact O-CD2 3.41Å; P129-Y131 PolarHBondContact O-N 3.32Å
130	N	86.4	Confident	80.4	Confident	72 Å²	72	66.7 Å²	66.7	39%	0.385	36%	0.363	S	S	.	.			trans	-88	92.1	175	-174.2	15.2	0	0	0	111.4	N132	N130-N132 VanDerWaalsContact C-N 3.26Å; N130-N132 VanDerWaalsContact CG-OD1 3.23Å; N130-N132 PolarHBondContact ND2-OD1 3.44Å; N130-N132 PolarHBondContact O-N 3.46Å; N130-N132 PolarHBondContact OD1-N 3.49Å; N130-N132 VanDerWaalsContact OD1-N 3.09Å; N130-N132 PolarHBondContact OD1-ND2 3.41Å; N130-N132 PolarHBondContact OD1-OD1 3.07Å
131	Y	82.1	Confident	79	Confident	89 Å²	89	64.5 Å²	64.5	35%	0.349	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-73.1	-16.4	176.3	-57.7	-78.8	0	0	0	113.5	P129 A133 T245 H263 H336	P129-Y131 HydrophobicContact CB-CD2 4.48Å; P129-Y131 HydrophobicContact CB-CE1 4.27Å; P129-Y131 HydrophobicContact CB-CE2 3.91Å; P129-Y131 HydrophobicContact CG-CE2 4.32Å; P129-Y131 WeakPolarHBondContact O-CD2 3.41Å; P129-Y131 PolarHBondContact O-N 3.32Å; Y131-A133 VanDerWaalsContact C-N 3.28Å; Y131-A133 PolarHBondContact O-N 3.43Å; Y131-T245 HydrophobicContact CD2-CG2 3.84Å; Y131-T245 HydrophobicContact CE2-CG2 4.07Å; Y131-H263 AromaticContact CD1-CE1 3.65Å; Y131-H263 AromaticContact CE1-CE1 3.6Å; Y131-H263 AromaticContact CE1-NE2 3.59Å; Y131-H336 VanDerWaalsContact CB-CD2 3.45Å; Y131-H336 WeakPolarHBondContact CB-CD2 3.44Å; Y131-H336 HydrophobicContact CD2-CB 4.33Å
132	N	74.3	Confident	77.6	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.037	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-82.1	2	-177.8	80.6	24.6	0	0	0	114.3	N130 V134 C135 P246 G247	N130-N132 VanDerWaalsContact C-N 3.26Å; N130-N132 VanDerWaalsContact CG-OD1 3.23Å; N130-N132 PolarHBondContact ND2-OD1 3.44Å; N130-N132 PolarHBondContact O-N 3.46Å; N130-N132 PolarHBondContact OD1-N 3.49Å; N130-N132 VanDerWaalsContact OD1-N 3.09Å; N130-N132 PolarHBondContact OD1-ND2 3.41Å; N130-N132 PolarHBondContact OD1-OD1 3.07Å; N132-V134 PolarHBondContact O-N 3.05Å; N132-C135 WeakPolarHBondContact O-CA 3.48Å; N132-C135 VanDerWaalsContact O-CB 3.28Å; N132-C135 WeakPolarHBondContact O-CB 2.95Å; N132-C135 PolarHBondContact O-N 3.37Å; N132-P246 PolarHBondContact ND2-O 3.02Å; N132-G247 WeakPolarHBondContact ND2-CA 2.98Å
133	A	73	Confident	76.4	Confident	80 Å²	80	72.5 Å²	72.5	66%	0.661	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.7	-172.5	0	0	0	0	0	113.5	Y131 C135	Y131-A133 VanDerWaalsContact C-N 3.28Å; Y131-A133 PolarHBondContact O-N 3.43Å; A133-C135 VanDerWaalsContact C-N 3.32Å
134	V	73.2	Confident	75.6	Confident	129 Å²	129	78.8 Å²	78.8	78%	0.782	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-82.7	-6	177.1	-65.2	0	0	0	0	113.9	N132	N132-V134 PolarHBondContact O-N 3.05Å
135	C	73.3	Confident	75.2	Confident	18 Å²	18	78.7 Å²	78.7	12%	0.122	41%	0.407	C	S	.	.	S	Bend	trans	-95.7	122.7	-177.9	-63.7	0	0	0	0	110.8	N132 A133 K137 C334	N132-C135 WeakPolarHBondContact O-CA 3.48Å; N132-C135 VanDerWaalsContact O-CB 3.28Å; N132-C135 WeakPolarHBondContact O-CB 2.95Å; N132-C135 PolarHBondContact O-N 3.37Å; A133-C135 VanDerWaalsContact C-N 3.32Å; C135-K137 PolarHBondContact O-N 3.18Å; C135-C334 HydrophobicContact CB-CB 3.68Å; C135-C334 WeakPolarHBondContact CB-SG 3.39Å; C135-C334 VanDerWaalsContact SG-CA 3.55Å; C135-C334 WeakPolarHBondContact SG-CB 3.29Å; C135-C334 CovalentContact SG-SG 2.02Å; C135-C334 PolarHBondContact SG-SG 3.29Å
136	R	61.9	Low	75	Confident	198 Å²	198	76.5 Å²	76.5	75%	0.747	40%	0.397	S	S	*	.			trans	-65.3	130.9	-179.4	-104.8	-177.8	-171.4	-177.2	1.8	111.3
137	K	60.4	Low	74.9	Confident	135 Å²	135	75.6 Å²	75.6	59%	0.587	40%	0.399	S	S	*	.			trans	-100.3	97.1	172	-60.4	-177	-176.4	-176.7	0	109.3	C135	C135-K137 PolarHBondContact O-N 3.18Å
138	S	54.8	Low	75	Confident	48 Å²	48	73.6 Å²	73.6	34%	0.336	39%	0.385	S	S	.	.			trans	-84.6	106.8	165.8	166.1	0	0	0	0	109.5	N140 Y141	S138-N140 PolarHBondContact O-N 3.35Å; S138-Y141 WeakPolarHBondContact O-CD1 3.4Å; S138-Y141 WeakPolarHBondContact O-CE1 2.96Å; S138-Y141 VanDerWaalsContact O-CG 3.31Å; S138-Y141 PolarHBondContact O-N 3.25Å
139	G	58.2	Low	75.3	Confident	48 Å²	48	72.4 Å²	72.4	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-58	-23.3	-172.9	0	0	0	0	0	115.5
140	N	59.2	Low	75.7	Confident	131 Å²	131	71 Å²	71	70%	0.701	37%	0.369	S	S	*	.	H	α-helix	trans	-76.6	-25.4	-179	-86.1	-9.3	0	0	0	114	S138	S138-N140 PolarHBondContact O-N 3.35Å
141	Y	63.8	Low	76.3	Confident	39 Å²	39	67.6 Å²	67.6	15%	0.153	35%	0.351	C	S	.	.	H	α-helix	trans	-73.5	-33.5	177.5	72.2	-113.5	0	0	0	111.5	S138 K143 K144 L145 F277	S138-Y141 WeakPolarHBondContact O-CD1 3.4Å; S138-Y141 WeakPolarHBondContact O-CE1 2.96Å; S138-Y141 VanDerWaalsContact O-CG 3.31Å; S138-Y141 PolarHBondContact O-N 3.25Å; Y141-K143 PolarHBondContact O-N 2.79Å; Y141-K143 VanDerWaalsContact O-N 3.14Å; Y141-K144 PolarHBondContact O-N 2.89Å; Y141-L145 HydrophobicContact CD2-CD1 4.27Å; Y141-L145 HydrophobicContact CE2-CD1 4.41Å; Y141-F277 AromaticContact CD1-CE2 3.85Å; Y141-F277 HydrophobicContact CD1-CE2 3.85Å; Y141-F277 HydrophobicContact CD1-CZ 4.04Å; Y141-F277 HydrophobicContact CD2-CE2 4.25Å; Y141-F277 HydrophobicContact CD2-CZ 4.1Å; Y141-F277 HydrophobicContact CE1-CE1 4.22Å; Y141-F277 AromaticContact CE1-CE2 3.57Å; Y141-F277 HydrophobicContact CE1-CE2 3.57Å; Y141-F277 AromaticContact CE1-CZ 3.33Å; Y141-F277 HydrophobicContact CE1-CZ 3.33Å; Y141-F277 HydrophobicContact CE2-CE2 4.06Å; Y141-F277 AromaticContact CE2-CZ 3.46Å; Y141-F277 HydrophobicContact CE2-CZ 3.46Å; Y141-F277 VanDerWaalsContact CE2-CZ 3.46Å; Y141-F277 HydrophobicContact CG-CE2 4.26Å; Y141-F277 HydrophobicContact CG-CZ 4.44Å; Y141-F277 AromaticContact CZ-CE1 3.93Å; Y141-F277 AromaticContact CZ-CE2 3.81Å; Y141-F277 AromaticContact CZ-CZ 3.11Å; Y141-F277 VanDerWaalsContact OH-CZ 3.23Å; Y141-F277 WeakPolarHBondContact OH-CZ 3.27Å
142	L	63.9	Low	77	Confident	48 Å²	48	63.4 Å²	63.4	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-32.3	-174.1	-70.3	170.2	0	0	0	112.5	K144 L145 E250	L142-K144 VanDerWaalsContact C-N 3.29Å; L142-K144 PolarHBondContact O-N 3.43Å; L142-L145 HydrophobicContact CD2-CD1 4.2Å; L142-E250 HydrophobicContact CD2-CB 3.67Å; L142-E250 HydrophobicContact CD2-CG 3.52Å
143	K	68.6	Low	78.2	Confident	175 Å²	175	63.7 Å²	63.7	76%	0.761	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.5	-178.9	-67.6	-173.3	177.9	-178.2	0	114	Y141	Y141-K143 PolarHBondContact O-N 2.79Å; Y141-K143 VanDerWaalsContact O-N 3.14Å
144	K	77.3	Confident	79.3	Confident	189 Å²	189	60 Å²	60	82%	0.822	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.7	-177	-65.2	-171.4	178.9	-175	0	113.6	Y141 L142	Y141-K144 PolarHBondContact O-N 2.89Å; L142-K144 VanDerWaalsContact C-N 3.29Å; L142-K144 PolarHBondContact O-N 3.43Å
145	L	84.5	Confident	80.4	Confident	21 Å²	21	55.1 Å²	55.1	11%	0.11	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-71.2	141.7	-177.1	-65.7	177.5	0	0	0	111.1	Y141 L142 L177 E250 V253 L254	Y141-L145 HydrophobicContact CD2-CD1 4.27Å; Y141-L145 HydrophobicContact CE2-CD1 4.41Å; L142-L145 HydrophobicContact CD2-CD1 4.2Å; L145-L177 HydrophobicContact CB-CD1 4.28Å; L145-L177 HydrophobicContact CB-CD2 3.59Å; L145-L177 HydrophobicContact CD1-CD1 3.9Å; L145-E250 HydrophobicContact CD1-CB 3.79Å; L145-E250 HydrophobicContact CD1-CG 4.37Å; L145-E250 WeakPolarHBondContact CD1-O 3.47Å; L145-V253 HydrophobicContact CB-CG2 4.05Å; L145-V253 HydrophobicContact CD1-CG2 4.03Å; L145-V253 HydrophobicContact CD2-CG2 4.29Å; L145-V253 HydrophobicContact CG-CG2 4.35Å; L145-L254 HydrophobicContact CD2-CB 3.92Å; L145-L254 HydrophobicContact CD2-CD1 3.74Å; L145-L254 HydrophobicContact CD2-CG 4.28Å
146	P	89.8	Confident	81.4	Confident	40 Å²	40	55.5 Å²	55.5	26%	0.26	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-69.8	147.5	177.6	29.7	-35	0	0	0	111.3	K233 V234	P146-K233 HydrophobicContact CB-CB 4.07Å; P146-K233 HydrophobicContact CB-CD 4.41Å; P146-V234 HydrophobicContact CB-CG2 4.02Å; P146-V234 HydrophobicContact CG-CG2 3.54Å
147	A	93.3	Very high	83.1	Confident	24 Å²	24	46.1 Å²	46.1	20%	0.198	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70.3	141.4	170.1	0	0	0	0	0	110.6	L177 E179 K233 V234	A147-L177 CarbonylContact C-O 3.48Å; A147-L177 VanDerWaalsContact CA-O 3.3Å; A147-L177 WeakPolarHBondContact CA-O 3.34Å; A147-E179 HydrophobicContact CB-CB 4.14Å; A147-K233 PolarHBondContact O-N 3.06Å; A147-V234 PolarHBondContact O-N 3.16Å
148	T	95.2	Very high	84.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144	-178.5	-174.2	0	0	0	0	112.1	V150 L177 E179 V234 T236 L249 V253	T148-V150 HydrophobicContact CG2-CG2 4.49Å; T148-L177 PolarHBondContact N-O 3.5Å; T148-E179 WeakPolarHBondContact O-CB 3.34Å; T148-E179 PolarHBondContact O-N 3.23Å; T148-V234 CarbonylContact C-O 3.52Å; T148-V234 VanDerWaalsContact CA-O 3.26Å; T148-V234 WeakPolarHBondContact CA-O 3.44Å; T148-V234 PolarHBondContact OG1-O 2.97Å; T148-V234 VanDerWaalsContact OG1-O 3.1Å; T148-T236 PolarHBondContact OG1-N 3.45Å; T148-T236 PolarHBondContact OG1-OG1 3.23Å; T148-L249 HydrophobicContact CG2-CD1 3.85Å; T148-L249 HydrophobicContact CG2-CD2 3.89Å; T148-L249 HydrophobicContact CG2-CG 4.24Å; T148-V253 HydrophobicContact CG2-CG1 3.96Å
149	S	98	Very high	86.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.6	164.5	-72	0	0	0	0	109.4	V151 E180 K231 G232 V234 T236	S149-V151 PolarHBondContact O-N 3.16Å; S149-E180 WeakPolarHBondContact CA-O 3.34Å; S149-E180 VanDerWaalsContact OG-CG 3.31Å; S149-E180 WeakPolarHBondContact OG-CG 3.39Å; S149-K231 PolarHBondContact OG-N 3.13Å; S149-G232 WeakPolarHBondContact OG-CA 3.44Å; S149-G232 PolarHBondContact OG-N 3.39Å; S149-V234 PolarHBondContact N-O 3Å; S149-T236 PolarHBondContact O-N 3.27Å
150	V	98	Very high	88.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.1	175.6	177.4	0	0	0	0	108.8	T148 I152 V169 L178 E180 I181 V182 T236 L238 W248	T148-V150 HydrophobicContact CG2-CG2 4.49Å; V150-I152 HydrophobicContact CG1-CD1 4.1Å; V150-I152 HydrophobicContact CG1-CG1 4.04Å; V150-V169 HydrophobicContact CB-CG1 4.38Å; V150-V169 HydrophobicContact CG1-CG1 4.25Å; V150-V169 HydrophobicContact CG1-CG2 4.49Å; V150-V169 HydrophobicContact CG2-CG1 4.03Å; V150-L178 HydrophobicContact CB-CD1 4.28Å; V150-L178 HydrophobicContact CG2-CD1 3.59Å; V150-E180 PolarHBondContact N-O 2.98Å; V150-I181 HydrophobicContact CB-CG1 4.4Å; V150-I181 CarbonylContact O-C 3.56Å; V150-I181 VanDerWaalsContact O-CA 3.32Å; V150-I181 WeakPolarHBondContact O-CA 3.48Å; V150-V182 PolarHBondContact O-N 2.92Å; V150-T236 CarbonylContact C-O 3.43Å; V150-T236 VanDerWaalsContact CA-O 3.24Å; V150-T236 WeakPolarHBondContact CA-O 3.25Å; V150-T236 HydrophobicContact CG2-CG2 4.41Å; V150-L238 HydrophobicContact CG1-CD1 3.73Å; V150-L238 HydrophobicContact CG1-CG 4.13Å; V150-W248 HydrophobicContact CG2-CH2 4.46Å
151	V	98.4	Very high	90.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.5	179.3	-178	0	0	0	0	109	S149 V182 V184 A230 T236 F237 L238	S149-V151 PolarHBondContact O-N 3.16Å; V151-V182 WeakPolarHBondContact CA-O 3.28Å; V151-V182 HydrophobicContact CG2-CB 4.36Å; V151-V184 HydrophobicContact CG1-CG2 4.35Å; V151-A230 HydrophobicContact CG2-CB 4.49Å; V151-T236 PolarHBondContact N-O 3.47Å; V151-F237 HydrophobicContact CB-CD1 3.82Å; V151-F237 HydrophobicContact CB-CE1 3.98Å; V151-F237 HydrophobicContact CG1-CD1 4.02Å; V151-F237 HydrophobicContact CG1-CE1 3.99Å; V151-F237 HydrophobicContact CG2-CE1 4.33Å; V151-F237 WeakPolarHBondContact O-CA 3.47Å; V151-L238 PolarHBondContact O-N 3.04Å
152	I	98.5	Very high	91.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.8	177.6	-65.2	160.7	0	0	0	108.3	V150 T165 I181 V182 L183 V184 L238 A240	V150-I152 HydrophobicContact CG1-CD1 4.1Å; V150-I152 HydrophobicContact CG1-CG1 4.04Å; I152-T165 HydrophobicContact CD1-CG2 3.89Å; I152-I181 HydrophobicContact CD1-CG2 3.83Å; I152-V182 PolarHBondContact N-O 3.22Å; I152-L183 HydrophobicContact CB-CD2 3.8Å; I152-L183 HydrophobicContact CD1-CD2 4.31Å; I152-L183 HydrophobicContact CG2-CD2 3.83Å; I152-L183 CarbonylContact O-C 3.5Å; I152-L183 WeakPolarHBondContact O-CA 3.35Å; I152-V184 PolarHBondContact O-N 3.33Å; I152-L238 WeakPolarHBondContact CA-O 3.33Å; I152-L238 HydrophobicContact CG1-CB 3.95Å; I152-A240 HydrophobicContact CG2-CB 3.97Å
153	V	97.9	Very high	93.5	Very high	14 Å²	14	27.2 Å²	27.2	9%	0.085	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.7	173.3	177.2	0	0	0	0	109.1	V184 D186 L219 A222 R223	V153-V184 WeakPolarHBondContact CA-O 3.28Å; V153-V184 HydrophobicContact CG2-CB 4.15Å; V153-D186 HydrophobicContact CG1-CB 4.4Å; V153-L219 HydrophobicContact CB-CD1 3.92Å; V153-L219 HydrophobicContact CG1-CD1 3.95Å; V153-L219 HydrophobicContact CG2-CD1 4.41Å; V153-A222 HydrophobicContact CB-CB 4.36Å; V153-A222 HydrophobicContact CG1-CB 3.49Å; V153-A222 VanDerWaalsContact CG1-CB 3.49Å; V153-A222 HydrophobicContact CG2-CB 3.87Å; V153-R223 HydrophobicContact CG2-CB 4.43Å; V153-R223 HydrophobicContact CG2-CG 3.65Å
154	F	97.5	Very high	94.9	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.013	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150	174.3	69.8	-83.9	0	0	0	112	E157 L162 L183 V184 D185 D186 L193 L197 L210 A240	F154-E157 HydrophobicContact CB-CB 4.18Å; F154-L162 HydrophobicContact CB-CD1 4.33Å; F154-L162 HydrophobicContact CD1-CD1 4.28Å; F154-L162 HydrophobicContact CD2-CD2 4.15Å; F154-L162 HydrophobicContact CE2-CD2 4.22Å; F154-L162 HydrophobicContact CG-CD1 4.26Å; F154-L162 HydrophobicContact CG-CD2 4.33Å; F154-L162 HydrophobicContact CZ-CD2 4.46Å; F154-L183 HydrophobicContact CD1-CD2 4.39Å; F154-L183 HydrophobicContact CE1-CB 4.19Å; F154-L183 HydrophobicContact CE1-CD2 4.41Å; F154-V184 WeakPolarHBondContact CD1-O 3.08Å; F154-V184 PolarHBondContact N-O 3.34Å; F154-D185 HydrophobicContact CE1-CB 3.88Å; F154-D185 HydrophobicContact CE2-CB 3.85Å; F154-D185 HydrophobicContact CZ-CB 3.44Å; F154-D185 VanDerWaalsContact CZ-CB 3.44Å; F154-D186 PolarHBondContact O-N 3.37Å; F154-L193 HydrophobicContact CD2-CD1 4.27Å; F154-L193 HydrophobicContact CD2-CD2 4.45Å; F154-L193 HydrophobicContact CE2-CB 4.32Å; F154-L193 HydrophobicContact CE2-CD1 4.27Å; F154-L193 HydrophobicContact CE2-CD2 4.16Å; F154-L193 HydrophobicContact CE2-CG 4.48Å; F154-L197 HydrophobicContact CE2-CD2 4.06Å; F154-L197 HydrophobicContact CZ-CD2 3.66Å; F154-L210 HydrophobicContact CE1-CD1 4Å; F154-L210 HydrophobicContact CZ-CD1 3.99Å; F154-A240 HydrophobicContact CB-CB 3.62Å
155	H	95.8	Very high	95.8	Very high	25 Å²	25	10.4 Å²	10.4	12%	0.116	6%	0.059	C	C	.	.	S	Bend	trans	-143.5	119.9	169.9	177.9	75.4	0	0	0	107.2	E157 D186 A187 S188 R216 Y347	H155-E157 PolarHBondContact O-N 2.87Å; H155-E157 VanDerWaalsContact O-N 3.11Å; H155-D186 HydrophobicContact CB-CB 4.32Å; H155-D186 PolarHBondContact ND1-O 3.44Å; H155-A187 PolarHBondContact CE1-O 3.04Å; H155-A187 VanDerWaalsContact CE1-O 3.27Å; H155-A187 PolarHBondContact ND1-O 3.01Å; H155-S188 WeakPolarHBondContact CA-OG 3.37Å; H155-R216 PolarHBondContact NE2-NE 2.74Å; H155-Y347 AromaticContact CD2-CD1 3.68Å; H155-Y347 AromaticContact CD2-CE1 3.94Å; H155-Y347 WeakPolarHBondContact O-CE1 3.47Å; H155-Y347 PolarHBondContact O-OH 3.44Å
156	N	95.2	Very high	96.5	Very high	26 Å²	26	9.4 Å²	9.4	14%	0.139	5%	0.054	C	C	.	.	S	Bend	trans	50.3	38.4	177.2	-75.5	-13.9	0	0	0	114	N112 S188 S189 Q190	N112-N156 PolarHBondContact ND2-O 3.29Å; N156-S188 PolarHBondContact N-OG 3.43Å; N156-S188 WeakPolarHBondContact OD1-CA 3.41Å; N156-S189 PolarHBondContact ND2-OG 2.73Å; N156-S189 PolarHBondContact OD1-N 3.03Å; N156-S189 PolarHBondContact OD1-OG 3.27Å; N156-Q190 HydrophobicContact CB-CG 4.4Å; N156-Q190 PolarHBondContact O-NE2 2.59Å; N156-Q190 PolarHBondContact OD1-N 3.44Å
157	E	96.2	Very high	96.8	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.046	C	C	.	.			trans	-76.4	147.6	179	-168.4	59.8	-115.9	0	0	111.6	F154 H155 T161 L162 H192 A240 H241 R342	F154-E157 HydrophobicContact CB-CB 4.18Å; H155-E157 PolarHBondContact O-N 2.87Å; H155-E157 VanDerWaalsContact O-N 3.11Å; E157-T161 PolarHBondContact OE1-OG1 2.89Å; E157-L162 HydrophobicContact CB-CB 4.38Å; E157-L162 HydrophobicContact CG-CB 3.98Å; E157-H192 PolarHBondContact O-NE2 3.49Å; E157-A240 HydrophobicContact CB-CB 4.34Å; E157-A240 HydrophobicContact CG-CB 3.84Å; E157-H241 IonicContact OE1-ND1 2.82Å; E157-H241 IonicContact OE2-CE1 3.27Å; E157-H241 IonicContact OE2-CG 3.21Å; E157-H241 IonicContact OE2-ND1 2.66Å; E157-H241 PolarHBondContact OE2-ND1 3.43Å; E157-R342 IonicContact OE1-NH2 3.47Å; E157-R342 PolarHBondContact OE1-NH2 3.16Å; E157-R342 IonicContact OE2-CZ 3.16Å; E157-R342 IonicContact OE2-NH2 3.41Å; E157-R342 PolarHBondContact OE2-NH2 3.26Å
158	A	95.7	Very high	97	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.033	4%	0.037	C	C	.	.			trans	-64.3	140.3	174.9	0	0	0	0	0	110.5	N112 F114 V116 S160 T161 L162	N112-A158 PolarHBondContact ND2-N 3.31Å; F114-A158 HydrophobicContact CE2-CB 4.33Å; F114-A158 HydrophobicContact CZ-CB 3.82Å; V116-A158 HydrophobicContact CG1-CB 4.22Å; V116-A158 HydrophobicContact CG2-CB 4.43Å; A158-S160 VanDerWaalsContact C-N 3.3Å; A158-S160 PolarHBondContact O-N 2.89Å; A158-T161 PolarHBondContact O-N 2.81Å; A158-T161 PolarHBondContact O-OG1 2.76Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 PolarHBondContact O-N 2.79Å
159	W	95.9	Very high	97	Very high	34 Å²	34	7.6 Å²	7.6	13%	0.129	4%	0.037	C	C	.	.	H	α-helix	trans	-54.1	-46.5	-178.8	179.3	-97.9	0	0	0	112.4	L163 H192 P196 L197 Y200	W159-L163 HydrophobicContact CD2-CD1 3.99Å; W159-L163 HydrophobicContact CD2-CG 4.34Å; W159-L163 HydrophobicContact CG-CD1 4.37Å; W159-L163 HydrophobicContact CH2-CD1 4.36Å; W159-L163 HydrophobicContact CZ2-CD1 3.57Å; W159-L163 VanDerWaalsContact NE1-CD1 3.33Å; W159-L163 WeakPolarHBondContact O-CB 3.35Å; W159-L163 WeakPolarHBondContact O-CG 3.5Å; W159-L163 PolarHBondContact O-N 3.21Å; W159-H192 HydrophobicContact CE3-CB 4.1Å; W159-H192 AromaticContact CE3-CD2 3.98Å; W159-H192 VanDerWaalsContact CZ3-O 3.23Å; W159-H192 WeakPolarHBondContact CZ3-O 3.48Å; W159-P196 HydrophobicContact CH2-CB 4.41Å; W159-P196 HydrophobicContact CZ3-CB 4.41Å; W159-L197 HydrophobicContact CZ3-CB 3.98Å; W159-L197 HydrophobicContact CZ3-CD1 4.13Å; W159-Y200 HydrophobicContact CH2-CG 4.26Å; W159-Y200 HydrophobicContact CZ2-CD2 4.06Å; W159-Y200 HydrophobicContact CZ2-CG 4.16Å
160	S	96.4	Very high	96.9	Very high	9 Å²	9	8.8 Å²	8.8	6%	0.063	4%	0.044	C	C	.	.	H	α-helix	trans	-65.5	-41.2	-176.5	58.2	0	0	0	0	113	S119 L124 A158 R164	S119-S160 WeakPolarHBondContact CB-OG 3.47Å; S119-S160 WeakPolarHBondContact OG-CB 3.47Å; S119-S160 PolarHBondContact OG-OG 2.91Å; L124-S160 WeakPolarHBondContact CD2-O 3.44Å; A158-S160 VanDerWaalsContact C-N 3.3Å; A158-S160 PolarHBondContact O-N 2.89Å; S160-R164 WeakPolarHBondContact O-CB 3.32Å; S160-R164 PolarHBondContact O-N 3.29Å
161	T	96.4	Very high	96.8	Very high	5 Å²	5	12.7 Å²	12.7	3%	0.031	7%	0.065	C	C	.	.	H	α-helix	trans	-73.6	-42	-179.8	48.9	0	0	0	0	112.3	F114 E157 A158 R164 T165 A240 H241	F114-T161 HydrophobicContact CE1-CG2 4.47Å; F114-T161 HydrophobicContact CE2-CG2 3.56Å; F114-T161 HydrophobicContact CZ-CG2 3.51Å; E157-T161 PolarHBondContact OE1-OG1 2.89Å; A158-T161 PolarHBondContact O-N 2.81Å; A158-T161 PolarHBondContact O-OG1 2.76Å; T161-R164 PolarHBondContact O-N 2.99Å; T161-T165 PolarHBondContact O-N 3.49Å; T161-T165 PolarHBondContact O-OG1 3.47Å; T161-A240 CarbonylContact C-O 3.58Å; T161-H241 HydrophobicContact CG2-CB 4.5Å
162	L	97.8	Very high	96.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-50.8	176.6	176.7	61.2	0	0	0	111	F154 E157 A158 T165 I166 L183 L193 L197 A240	F154-L162 HydrophobicContact CB-CD1 4.33Å; F154-L162 HydrophobicContact CD1-CD1 4.28Å; F154-L162 HydrophobicContact CD2-CD2 4.15Å; F154-L162 HydrophobicContact CE2-CD2 4.22Å; F154-L162 HydrophobicContact CG-CD1 4.26Å; F154-L162 HydrophobicContact CG-CD2 4.33Å; F154-L162 HydrophobicContact CZ-CD2 4.46Å; E157-L162 HydrophobicContact CB-CB 4.38Å; E157-L162 HydrophobicContact CG-CB 3.98Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 PolarHBondContact O-N 2.79Å; L162-T165 WeakPolarHBondContact O-CB 3.19Å; L162-T165 PolarHBondContact O-N 2.85Å; L162-I166 HydrophobicContact CD1-CD1 4.12Å; L162-I166 HydrophobicContact CG-CD1 4.05Å; L162-I166 WeakPolarHBondContact O-CG1 3.48Å; L162-I166 PolarHBondContact O-N 2.82Å; L162-I166 VanDerWaalsContact O-N 3.09Å; L162-L183 HydrophobicContact CD1-CD2 4.18Å; L162-L193 HydrophobicContact CD2-CD2 3.7Å; L162-L197 HydrophobicContact CD2-CD1 4.19Å; L162-L197 HydrophobicContact CD2-CD2 4.01Å; L162-A240 WeakPolarHBondContact CA-O 3.43Å; L162-A240 HydrophobicContact CD1-CB 4.05Å; L162-A240 PolarHBondContact N-O 3.04Å
163	L	97.2	Very high	96.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67	-39.3	-179.5	-69.3	-167.7	0	0	0	112.2	L124 W159 T165 I166 H167 L197 Y200	L124-L163 HydrophobicContact CD1-CB 4.01Å; L124-L163 HydrophobicContact CD1-CD1 3.91Å; L124-L163 HydrophobicContact CD2-CB 3.89Å; W159-L163 HydrophobicContact CD2-CD1 3.99Å; W159-L163 HydrophobicContact CD2-CG 4.34Å; W159-L163 HydrophobicContact CG-CD1 4.37Å; W159-L163 HydrophobicContact CH2-CD1 4.36Å; W159-L163 HydrophobicContact CZ2-CD1 3.57Å; W159-L163 VanDerWaalsContact NE1-CD1 3.33Å; W159-L163 WeakPolarHBondContact O-CB 3.35Å; W159-L163 WeakPolarHBondContact O-CG 3.5Å; W159-L163 PolarHBondContact O-N 3.21Å; L163-T165 VanDerWaalsContact C-N 3.25Å; L163-T165 PolarHBondContact O-N 3.29Å; L163-I166 HydrophobicContact CD2-CD1 4.09Å; L163-I166 PolarHBondContact O-N 3.42Å; L163-I166 VanDerWaalsContact O-N 3.17Å; L163-H167 WeakPolarHBondContact O-CB 3.46Å; L163-H167 PolarHBondContact O-CD2 3.37Å; L163-H167 VanDerWaalsContact O-CD2 3.24Å; L163-H167 PolarHBondContact O-N 2.94Å; L163-L197 HydrophobicContact CD2-CD1 4.06Å; L163-Y200 HydrophobicContact CD1-CD1 3.89Å; L163-Y200 HydrophobicContact CD1-CD2 4.38Å; L163-Y200 HydrophobicContact CD1-CE1 3.56Å; L163-Y200 HydrophobicContact CD1-CE2 4.09Å; L163-Y200 HydrophobicContact CD1-CG 4.29Å; L163-Y200 HydrophobicContact CD2-CD1 3.61Å; L163-Y200 HydrophobicContact CD2-CE1 3.67Å; L163-Y200 HydrophobicContact CG-CD1 4.42Å; L163-Y200 HydrophobicContact CG-CE1 4.18Å
164	R	97.3	Very high	96	Very high	11 Å²	11	15.7 Å²	15.7	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-36.3	176	-167	178.5	-57.9	115	9.6	111.7	S119 V122 S123 L124 S160 T161 S168 E243	S119-R164 PolarHBondContact O-NH2 3.2Å; S119-R164 PolarHBondContact OG-NH1 3.41Å; S119-R164 PolarHBondContact OG-NH2 3.47Å; V122-R164 PolarHBondContact O-NH2 3.4Å; S123-R164 PolarHBondContact O-NE 3.25Å; L124-R164 HydrophobicContact CD2-CB 4.32Å; L124-R164 WeakPolarHBondContact O-CG 3.45Å; S160-R164 WeakPolarHBondContact O-CB 3.32Å; S160-R164 PolarHBondContact O-N 3.29Å; T161-R164 PolarHBondContact O-N 2.99Å; R164-S168 VanDerWaalsContact O-CB 3.23Å; R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3Å; R164-S168 PolarHBondContact O-OG 2.94Å; R164-E243 WeakPolarHBondContact CD-OE1 3.32Å; R164-E243 WeakPolarHBondContact CD-OE2 3.38Å; R164-E243 HydrophobicContact CG-CG 3.91Å
165	T	97.7	Very high	95.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-54	171.4	-57.3	0	0	0	0	110.7	I152 T161 L162 L163 H167 S168 V169 A240 H241 V242	I152-T165 HydrophobicContact CD1-CG2 3.89Å; T161-T165 PolarHBondContact O-N 3.49Å; T161-T165 PolarHBondContact O-OG1 3.47Å; L162-T165 WeakPolarHBondContact O-CB 3.19Å; L162-T165 PolarHBondContact O-N 2.85Å; L163-T165 VanDerWaalsContact C-N 3.25Å; L163-T165 PolarHBondContact O-N 3.29Å; T165-H167 PolarHBondContact O-N 2.84Å; T165-S168 PolarHBondContact O-N 3.46Å; T165-S168 PolarHBondContact O-OG 2.95Å; T165-V169 WeakPolarHBondContact O-CG2 3.36Å; T165-V169 PolarHBondContact O-N 2.94Å; T165-V169 VanDerWaalsContact O-N 3.08Å; T165-A240 VanDerWaalsContact OG1-C 3.24Å; T165-A240 PolarHBondContact OG1-O 3.32Å; T165-A240 VanDerWaalsContact OG1-O 3.04Å; T165-H241 PolarHBondContact OG1-N 3.34Å; T165-V242 VanDerWaalsContact CA-O 3.27Å; T165-V242 WeakPolarHBondContact CA-O 3.46Å; T165-V242 WeakPolarHBondContact CB-O 3.5Å; T165-V242 HydrophobicContact CG2-CG2 3.56Å; T165-V242 PolarHBondContact OG1-N 3.37Å; T165-V242 PolarHBondContact OG1-O 3.06Å
166	I	97.4	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-49.6	-179	-66.2	159.6	0	0	0	111.3	L162 L163 S168 V169 L170 L183 L201 L204 I208	L162-I166 HydrophobicContact CD1-CD1 4.12Å; L162-I166 HydrophobicContact CG-CD1 4.05Å; L162-I166 WeakPolarHBondContact O-CG1 3.48Å; L162-I166 PolarHBondContact O-N 2.82Å; L162-I166 VanDerWaalsContact O-N 3.09Å; L163-I166 HydrophobicContact CD2-CD1 4.09Å; L163-I166 PolarHBondContact O-N 3.42Å; L163-I166 VanDerWaalsContact O-N 3.17Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-S168 PolarHBondContact O-N 3.35Å; I166-V169 PolarHBondContact O-N 2.84Å; I166-L170 HydrophobicContact CG2-CD1 3.82Å; I166-L170 HydrophobicContact CG2-CG 4.42Å; I166-L170 WeakPolarHBondContact O-CG 3.39Å; I166-L170 PolarHBondContact O-N 2.84Å; I166-L183 HydrophobicContact CD1-CD1 3.61Å; I166-L183 HydrophobicContact CD1-CD2 4.01Å; I166-L183 HydrophobicContact CD1-CG 4.45Å; I166-L183 HydrophobicContact CG1-CD1 4.15Å; I166-L183 HydrophobicContact CG1-CD2 4.08Å; I166-L201 HydrophobicContact CD1-CD2 3.97Å; I166-L204 HydrophobicContact CG2-CD1 3.84Å; I166-I208 HydrophobicContact CG2-CD1 3.87Å
167	H	96.9	Very high	95.4	Very high	24 Å²	24	24 Å²	24	11%	0.111	12%	0.121	C	C	.	.	H	α-helix	trans	-59.6	-43.4	177.2	-86	-84.4	0	0	0	111.7	L124 L163 T165 V169 L170 N171 Y200	L124-H167 WeakPolarHBondContact O-CB 3.48Å; L163-H167 WeakPolarHBondContact O-CB 3.46Å; L163-H167 PolarHBondContact O-CD2 3.37Å; L163-H167 VanDerWaalsContact O-CD2 3.24Å; L163-H167 PolarHBondContact O-N 2.94Å; T165-H167 PolarHBondContact O-N 2.84Å; H167-V169 VanDerWaalsContact C-N 3.31Å; H167-V169 PolarHBondContact O-N 3.06Å; H167-L170 PolarHBondContact O-N 2.83Å; H167-N171 VanDerWaalsContact O-CB 3.24Å; H167-N171 WeakPolarHBondContact O-CB 3.43Å; H167-N171 PolarHBondContact O-N 3.28Å; H167-N171 PolarHBondContact O-ND2 3.24Å; H167-Y200 AromaticContact NE2-CE1 3.79Å; H167-Y200 AromaticContact NE2-CZ 3.77Å; H167-Y200 PolarHBondContact NE2-OH 2.92Å
168	S	96.6	Very high	95.4	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-42.8	178.5	75.6	0	0	0	0	111.9	R164 T165 I166 R172 V244	R164-S168 VanDerWaalsContact O-CB 3.23Å; R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3Å; R164-S168 PolarHBondContact O-OG 2.94Å; T165-S168 PolarHBondContact O-N 3.46Å; T165-S168 PolarHBondContact O-OG 2.95Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-S168 PolarHBondContact O-N 3.35Å; S168-R172 VanDerWaalsContact CB-NH1 3.28Å; S168-R172 VanDerWaalsContact O-CB 3.3Å; S168-R172 WeakPolarHBondContact O-CB 3.4Å; S168-R172 PolarHBondContact O-N 3.27Å; S168-R172 VanDerWaalsContact O-N 3.13Å; S168-V244 VanDerWaalsContact C-CG2 3.42Å; S168-V244 WeakPolarHBondContact O-CG2 3.29Å; S168-V244 PolarHBondContact OG-N 2.98Å
169	V	96.8	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-48.7	178.8	174.4	0	0	0	0	110.7	V150 T165 I166 H167 N171 S173 L178 I181 L238 V244 W248	V150-V169 HydrophobicContact CB-CG1 4.38Å; V150-V169 HydrophobicContact CG1-CG1 4.25Å; V150-V169 HydrophobicContact CG1-CG2 4.49Å; V150-V169 HydrophobicContact CG2-CG1 4.03Å; T165-V169 WeakPolarHBondContact O-CG2 3.36Å; T165-V169 PolarHBondContact O-N 2.94Å; T165-V169 VanDerWaalsContact O-N 3.08Å; I166-V169 PolarHBondContact O-N 2.84Å; H167-V169 VanDerWaalsContact C-N 3.31Å; H167-V169 PolarHBondContact O-N 3.06Å; V169-N171 VanDerWaalsContact C-N 3.35Å; V169-N171 PolarHBondContact O-N 3.03Å; V169-S173 WeakPolarHBondContact O-CB 3.35Å; V169-S173 PolarHBondContact O-N 3.37Å; V169-S173 VanDerWaalsContact O-N 3.16Å; V169-S173 PolarHBondContact O-OG 2.77Å; V169-L178 HydrophobicContact CG1-CD1 4.18Å; V169-L178 HydrophobicContact CG1-CD2 4.22Å; V169-I181 HydrophobicContact CB-CD1 4.06Å; V169-I181 HydrophobicContact CG1-CD1 3.65Å; V169-I181 HydrophobicContact CG1-CG1 4.06Å; V169-L238 HydrophobicContact CG2-CD1 3.6Å; V169-V244 HydrophobicContact CG2-CG1 4.13Å; V169-V244 HydrophobicContact CG2-CG2 4.35Å; V169-W248 HydrophobicContact CG1-CZ2 4.47Å; V169-W248 HydrophobicContact CG2-CZ2 4.46Å
170	L	95.7	Very high	95.5	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.131	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-43	-179.9	-71	170.8	0	0	0	112.3	I166 H167 L178 I181 L204 I208	I166-L170 HydrophobicContact CG2-CD1 3.82Å; I166-L170 HydrophobicContact CG2-CG 4.42Å; I166-L170 WeakPolarHBondContact O-CG 3.39Å; I166-L170 PolarHBondContact O-N 2.84Å; H167-L170 PolarHBondContact O-N 2.83Å; L170-L178 HydrophobicContact CD2-CD2 4.14Å; L170-I181 HydrophobicContact CD2-CD1 3.69Å; L170-I181 HydrophobicContact CG-CD1 3.79Å; L170-L204 HydrophobicContact CD1-CB 4.41Å; L170-L204 HydrophobicContact CD1-CD1 4.24Å; L170-I208 HydrophobicContact CD1-CD1 4.07Å
171	N	94.7	Very high	95.6	Very high	83 Å²	83	26.7 Å²	26.7	44%	0.444	13%	0.134	S	C	.	.	H	α-helix	trans	-82	-23.6	-171.3	-64	-18.3	0	0	0	113.1	N125 H167 V169	N125-N171 PolarHBondContact OD1-ND2 3.09Å; H167-N171 VanDerWaalsContact O-CB 3.24Å; H167-N171 WeakPolarHBondContact O-CB 3.43Å; H167-N171 PolarHBondContact O-N 3.28Å; H167-N171 PolarHBondContact O-ND2 3.24Å; V169-N171 VanDerWaalsContact C-N 3.35Å; V169-N171 PolarHBondContact O-N 3.03Å
172	R	94	Very high	95.7	Very high	35 Å²	35	26.4 Å²	26.4	13%	0.132	13%	0.132	C	C	.	.	H	α-helix	trans	-117.3	5.9	-172.2	-57.2	170.2	-169.4	139.4	12.1	114.1	R126 S168 V244	R126-R172 PolarHBondContact O-NH2 2.75Å; S168-R172 VanDerWaalsContact CB-NH1 3.28Å; S168-R172 VanDerWaalsContact O-CB 3.3Å; S168-R172 WeakPolarHBondContact O-CB 3.4Å; S168-R172 PolarHBondContact O-N 3.27Å; S168-R172 VanDerWaalsContact O-N 3.13Å; R172-V244 HydrophobicContact CB-CG2 4.16Å; R172-V244 WeakPolarHBondContact CD-O 3.12Å; R172-V244 PolarHBondContact NH1-O 3.41Å
173	S	93.7	Very high	95.7	Very high	8 Å²	8	26.4 Å²	26.4	6%	0.056	13%	0.132	C	C	.	.	S	Bend	trans	-104.2	132.5	173.7	-53.9	0	0	0	0	110.4	V169 Q175 W248	V169-S173 WeakPolarHBondContact O-CB 3.35Å; V169-S173 PolarHBondContact O-N 3.37Å; V169-S173 VanDerWaalsContact O-N 3.16Å; V169-S173 PolarHBondContact O-OG 2.77Å; S173-Q175 PolarHBondContact O-N 2.78Å; S173-W248 PolarHBondContact OG-NE1 3.42Å
174	P	91.9	Very high	95.8	Very high	34 Å²	34	26.4 Å²	26.4	22%	0.221	13%	0.132	C	C	.	.			trans	-58.7	134.3	174.7	-25.2	35	0	0	0	112	N176 L177 L178 E250	P174-N176 WeakPolarHBondContact CB-OD1 3.33Å; P174-N176 PolarHBondContact O-N 3.33Å; P174-N176 VanDerWaalsContact O-N 3.16Å; P174-L177 HydrophobicContact CB-CB 4.37Å; P174-L177 HydrophobicContact CB-CD1 4.16Å; P174-L177 HydrophobicContact CB-CG 4.08Å; P174-L177 HydrophobicContact CG-CD1 4.02Å; P174-L177 HydrophobicContact CG-CG 4.48Å; P174-L177 PolarHBondContact O-N 3.23Å; P174-L178 PolarHBondContact O-N 3.34Å; P174-E250 HydrophobicContact CG-CG 4.01Å
175	Q	91.5	Very high	95.8	Very high	123 Å²	123	26.1 Å²	26.1	58%	0.575	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.5	-174	-72.6	-64.5	-20.1	0	0	113.9	S173 L177 K207	S173-Q175 PolarHBondContact O-N 2.78Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-K207 PolarHBondContact O-NZ 3.13Å
176	N	90.9	Very high	95.8	Very high	104 Å²	104	26.4 Å²	26.4	56%	0.556	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.7	176.7	65.8	-62.3	0	0	0	113.5	P174	P174-N176 WeakPolarHBondContact CB-OD1 3.33Å; P174-N176 PolarHBondContact O-N 3.33Å; P174-N176 VanDerWaalsContact O-N 3.16Å
177	L	92.9	Very high	95.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-29.8	179.7	-58	-174.9	0	0	0	112.3	L145 A147 T148 P174 Q175 E179 L249 E250	L145-L177 HydrophobicContact CB-CD1 4.28Å; L145-L177 HydrophobicContact CB-CD2 3.59Å; L145-L177 HydrophobicContact CD1-CD1 3.9Å; A147-L177 CarbonylContact C-O 3.48Å; A147-L177 VanDerWaalsContact CA-O 3.3Å; A147-L177 WeakPolarHBondContact CA-O 3.34Å; T148-L177 PolarHBondContact N-O 3.5Å; P174-L177 HydrophobicContact CB-CB 4.37Å; P174-L177 HydrophobicContact CB-CD1 4.16Å; P174-L177 HydrophobicContact CB-CG 4.08Å; P174-L177 HydrophobicContact CG-CD1 4.02Å; P174-L177 HydrophobicContact CG-CG 4.48Å; P174-L177 PolarHBondContact O-N 3.23Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; L177-E179 PolarHBondContact O-N 3.45Å; L177-L249 HydrophobicContact CB-CD2 4.04Å; L177-E250 HydrophobicContact CD1-CG 3.81Å
178	L	95.5	Very high	95.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	99.4	176.4	-176.2	64	0	0	0	110.4	V150 V169 L170 P174 I181 K207	V150-L178 HydrophobicContact CB-CD1 4.28Å; V150-L178 HydrophobicContact CG2-CD1 3.59Å; V169-L178 HydrophobicContact CG1-CD1 4.18Å; V169-L178 HydrophobicContact CG1-CD2 4.22Å; L170-L178 HydrophobicContact CD2-CD2 4.14Å; P174-L178 PolarHBondContact O-N 3.34Å; L178-I181 HydrophobicContact CD1-CG1 4.11Å; L178-I181 HydrophobicContact CD2-CD1 4.38Å; L178-I181 HydrophobicContact CD2-CG1 4.26Å; L178-K207 WeakPolarHBondContact O-CE 3.15Å; L178-K207 PolarHBondContact O-NZ 2.77Å
179	E	96.8	Very high	95.6	Very high	91 Å²	91	30.8 Å²	30.8	43%	0.425	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-54.8	175.6	-177.5	62.4	-160.2	0	0	110.2	A147 T148 L177 K231	A147-E179 HydrophobicContact CB-CB 4.14Å; T148-E179 WeakPolarHBondContact O-CB 3.34Å; T148-E179 PolarHBondContact O-N 3.23Å; L177-E179 PolarHBondContact O-N 3.45Å; E179-K231 HydrophobicContact CG-CB 4.22Å
180	E	97.8	Very high	95.5	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	162.8	178.7	60.5	-178.9	153.3	0	0	111.7	S149 V150 V182 K207 R209 K231	S149-E180 WeakPolarHBondContact CA-O 3.34Å; S149-E180 VanDerWaalsContact OG-CG 3.31Å; S149-E180 WeakPolarHBondContact OG-CG 3.39Å; V150-E180 PolarHBondContact N-O 2.98Å; E180-V182 HydrophobicContact CG-CG2 3.99Å; E180-K207 CarbonylContact C-O 3.58Å; E180-K207 VanDerWaalsContact CA-O 3.24Å; E180-K207 WeakPolarHBondContact CA-O 3.47Å; E180-K207 WeakPolarHBondContact CB-O 3.42Å; E180-R209 VanDerWaalsContact CD-NH2 3.3Å; E180-R209 IonicContact OE1-CZ 3.74Å; E180-R209 IonicContact OE1-NH2 3.21Å; E180-R209 PolarHBondContact OE1-NH2 2.98Å; E180-R209 IonicContact OE2-CZ 2.77Å; E180-R209 VanDerWaalsContact OE2-CZ 3.24Å; E180-R209 IonicContact OE2-NE 3.83Å; E180-R209 PolarHBondContact OE2-NE 2.71Å; E180-R209 IonicContact OE2-NH2 2.61Å; E180-R209 PolarHBondContact OE2-NH2 3.37Å; E180-K231 VanDerWaalsContact OE1-CB 3.3Å; E180-K231 WeakPolarHBondContact OE1-CB 3.4Å; E180-K231 VanDerWaalsContact OE1-CG 3.31Å; E180-K231 WeakPolarHBondContact OE1-CG 3.42Å; E180-K231 PolarHBondContact OE1-N 3.18Å
181	I	98.3	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.4	165.2	-55.1	178.7	0	0	0	107.6	V150 I152 V169 L170 L178 L183 K207 I208 R209	V150-I181 HydrophobicContact CB-CG1 4.4Å; V150-I181 CarbonylContact O-C 3.56Å; V150-I181 VanDerWaalsContact O-CA 3.32Å; V150-I181 WeakPolarHBondContact O-CA 3.48Å; I152-I181 HydrophobicContact CD1-CG2 3.83Å; V169-I181 HydrophobicContact CB-CD1 4.06Å; V169-I181 HydrophobicContact CG1-CD1 3.65Å; V169-I181 HydrophobicContact CG1-CG1 4.06Å; L170-I181 HydrophobicContact CD2-CD1 3.69Å; L170-I181 HydrophobicContact CG-CD1 3.79Å; L178-I181 HydrophobicContact CD1-CG1 4.11Å; L178-I181 HydrophobicContact CD2-CD1 4.38Å; L178-I181 HydrophobicContact CD2-CG1 4.26Å; I181-L183 HydrophobicContact CG2-CG 4.17Å; I181-K207 PolarHBondContact N-O 3.39Å; I181-I208 WeakPolarHBondContact O-CA 3.4Å; I181-R209 PolarHBondContact O-N 3.01Å
182	V	98.5	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	101.4	173.5	-172.6	0	0	0	0	108.4	V150 V151 I152 E180 V184 V211 A230	V150-V182 PolarHBondContact O-N 2.92Å; V151-V182 WeakPolarHBondContact CA-O 3.28Å; V151-V182 HydrophobicContact CG2-CB 4.36Å; I152-V182 PolarHBondContact N-O 3.22Å; E180-V182 HydrophobicContact CG-CG2 3.99Å; V182-V184 HydrophobicContact CG1-CG2 4.06Å; V182-V211 HydrophobicContact CG1-CG2 4.03Å; V182-A230 HydrophobicContact CG2-CB 4.31Å
183	L	98.4	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.2	173.9	-77.1	168.6	0	0	0	109.4	I152 F154 L162 I166 I181 L201 I208 R209 L210 V211	I152-L183 HydrophobicContact CB-CD2 3.8Å; I152-L183 HydrophobicContact CD1-CD2 4.31Å; I152-L183 HydrophobicContact CG2-CD2 3.83Å; I152-L183 CarbonylContact O-C 3.5Å; I152-L183 WeakPolarHBondContact O-CA 3.35Å; F154-L183 HydrophobicContact CD1-CD2 4.39Å; F154-L183 HydrophobicContact CE1-CB 4.19Å; F154-L183 HydrophobicContact CE1-CD2 4.41Å; L162-L183 HydrophobicContact CD1-CD2 4.18Å; I166-L183 HydrophobicContact CD1-CD1 3.61Å; I166-L183 HydrophobicContact CD1-CD2 4.01Å; I166-L183 HydrophobicContact CD1-CG 4.45Å; I166-L183 HydrophobicContact CG1-CD1 4.15Å; I166-L183 HydrophobicContact CG1-CD2 4.08Å; I181-L183 HydrophobicContact CG2-CG 4.17Å; L183-L201 HydrophobicContact CD1-CD1 3.65Å; L183-L201 HydrophobicContact CD1-CD2 3.85Å; L183-L201 HydrophobicContact CD1-CG 4.41Å; L183-I208 HydrophobicContact CD1-CG2 3.49Å; L183-I208 VanDerWaalsContact CD1-CG2 3.49Å; L183-I208 HydrophobicContact CG-CG2 4.2Å; L183-R209 PolarHBondContact N-O 3.42Å; L183-L210 HydrophobicContact CB-CD1 3.91Å; L183-L210 CarbonylContact O-C 3.52Å; L183-L210 WeakPolarHBondContact O-CA 3.02Å; L183-V211 PolarHBondContact O-N 2.9Å
184	V	98.5	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109	179.4	-171.6	0	0	0	0	109.5	V151 I152 V153 F154 V182 D186 V211 L213 A222	V151-V184 HydrophobicContact CG1-CG2 4.35Å; I152-V184 PolarHBondContact O-N 3.33Å; V153-V184 WeakPolarHBondContact CA-O 3.28Å; V153-V184 HydrophobicContact CG2-CB 4.15Å; F154-V184 WeakPolarHBondContact CD1-O 3.08Å; F154-V184 PolarHBondContact N-O 3.34Å; V182-V184 HydrophobicContact CG1-CG2 4.06Å; V184-D186 PolarHBondContact O-N 2.96Å; V184-V211 CarbonylContact C-O 3.57Å; V184-V211 WeakPolarHBondContact CA-O 3.43Å; V184-V211 HydrophobicContact CG2-CB 4.5Å; V184-L213 HydrophobicContact CG1-CD1 4.18Å; V184-L213 HydrophobicContact CG1-CD2 4.21Å; V184-L213 HydrophobicContact CG1-CG 4.06Å; V184-A222 HydrophobicContact CG1-CB 3.96Å
185	D	98.3	Very high	95.9	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.5	171.8	179.5	18.4	0	0	0	110	F154 A187 S188 V211 R212 L213	F154-D185 HydrophobicContact CE1-CB 3.88Å; F154-D185 HydrophobicContact CE2-CB 3.85Å; F154-D185 HydrophobicContact CZ-CB 3.44Å; F154-D185 VanDerWaalsContact CZ-CB 3.44Å; D185-A187 PolarHBondContact O-N 3.06Å; D185-S188 WeakPolarHBondContact OD1-CB 3.5Å; D185-S188 PolarHBondContact OD1-N 3.45Å; D185-S188 PolarHBondContact OD1-OG 2.86Å; D185-V211 PolarHBondContact N-O 3.45Å; D185-R212 HydrophobicContact CB-CG 4.14Å; D185-R212 IonicContact OD2-CZ 3.42Å; D185-R212 IonicContact OD2-NH1 3.47Å; D185-R212 PolarHBondContact OD2-NH1 3.17Å; D185-L213 WeakPolarHBondContact O-CB 3.46Å; D185-L213 PolarHBondContact O-N 2.79Å
186	D	97	Very high	96.1	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.032	20%	0.199	C	C	.	.			trans	-80.8	59	175.8	-174.9	35.2	0	0	0	111.3	V153 F154 H155 V184 L213 S217 G218 A222	V153-D186 HydrophobicContact CG1-CB 4.4Å; F154-D186 PolarHBondContact O-N 3.37Å; H155-D186 HydrophobicContact CB-CB 4.32Å; H155-D186 PolarHBondContact ND1-O 3.44Å; V184-D186 PolarHBondContact O-N 2.96Å; D186-L213 HydrophobicContact CB-CD1 4.38Å; D186-S217 PolarHBondContact OD1-N 3.41Å; D186-G218 PolarHBondContact OD1-N 3.33Å; D186-G218 WeakPolarHBondContact OD2-CA 3.12Å; D186-G218 PolarHBondContact OD2-N 3.21Å; D186-A222 HydrophobicContact CB-CB 4.17Å
187	A	96	Very high	96.4	Very high	28 Å²	28	33.2 Å²	33.2	23%	0.231	17%	0.173	C	C	.	.			trans	55.8	58.5	178.8	0	0	0	0	0	114.2	H155 D185 R216	H155-A187 PolarHBondContact CE1-O 3.04Å; H155-A187 VanDerWaalsContact CE1-O 3.27Å; H155-A187 PolarHBondContact ND1-O 3.01Å; D185-A187 PolarHBondContact O-N 3.06Å; A187-R216 HydrophobicContact CB-CB 4.21Å
188	S	96.7	Very high	96.5	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.084	19%	0.189	C	C	.	.			trans	-65	140.8	173.3	-60.6	0	0	0	0	112.4	H155 N156 D185	H155-S188 WeakPolarHBondContact CA-OG 3.37Å; N156-S188 PolarHBondContact N-OG 3.43Å; N156-S188 WeakPolarHBondContact OD1-CA 3.41Å; D185-S188 WeakPolarHBondContact OD1-CB 3.5Å; D185-S188 PolarHBondContact OD1-N 3.45Å; D185-S188 PolarHBondContact OD1-OG 2.86Å
189	S	94.5	Very high	96.5	Very high	77 Å²	77	37.8 Å²	37.8	54%	0.538	20%	0.198	S	C	.	.			trans	-94.5	-25.7	179	58.8	0	0	0	0	113.4	N156 K194	N156-S189 PolarHBondContact ND2-OG 2.73Å; N156-S189 PolarHBondContact OD1-N 3.03Å; N156-S189 PolarHBondContact OD1-OG 3.27Å; S189-K194 WeakPolarHBondContact O-CE 3.49Å; S189-K194 PolarHBondContact O-NZ 2.77Å; S189-K194 VanDerWaalsContact O-NZ 3.15Å
190	Q	93.2	Very high	96.4	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.229	18%	0.183	C	C	.	.			trans	-67.5	133	-175.7	-64.7	173.8	9.5	0	0	112.2	N156 H192 L193	N156-Q190 HydrophobicContact CB-CG 4.4Å; N156-Q190 PolarHBondContact O-NE2 2.59Å; N156-Q190 PolarHBondContact OD1-N 3.44Å; Q190-H192 PolarHBondContact O-N 3.47Å; Q190-H192 PolarHBondContact OE1-CE1 2.94Å; Q190-H192 PolarHBondContact OE1-NE2 2.78Å; Q190-L193 HydrophobicContact CB-CD1 4.24Å; Q190-L193 HydrophobicContact CB-CG 4.43Å; Q190-L193 PolarHBondContact O-N 3.15Å; Q190-L193 VanDerWaalsContact O-N 3.13Å
191	D	95.2	Very high	96.3	Very high	115 Å²	115	34.8 Å²	34.8	62%	0.615	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-67.5	-32.6	-171.1	-71.2	-33.8	0	0	0	114	L193 K194 P196	D191-L193 PolarHBondContact O-N 2.85Å; D191-K194 WeakPolarHBondContact O-CB 3.4Å; D191-K194 PolarHBondContact O-N 2.72Å; D191-K194 IonicContact OD1-NZ 3.11Å; D191-K194 PolarHBondContact OD1-NZ 3.47Å; D191-P196 WeakPolarHBondContact O-CD 3.27Å
192	H	94.6	Very high	96	Very high	56 Å²	56	41.1 Å²	41.1	26%	0.259	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.3	-24.3	175.5	60.9	-95.1	0	0	0	112.8	E157 W159 Q190 K194 L197	E157-H192 PolarHBondContact O-NE2 3.49Å; W159-H192 HydrophobicContact CE3-CB 4.1Å; W159-H192 AromaticContact CE3-CD2 3.98Å; W159-H192 VanDerWaalsContact CZ3-O 3.23Å; W159-H192 WeakPolarHBondContact CZ3-O 3.48Å; Q190-H192 PolarHBondContact O-N 3.47Å; Q190-H192 PolarHBondContact OE1-CE1 2.94Å; Q190-H192 PolarHBondContact OE1-NE2 2.78Å; H192-K194 VanDerWaalsContact C-N 3.29Å; H192-K194 PolarHBondContact O-N 2.84Å; H192-L197 PolarHBondContact O-N 3.49Å
193	L	96.9	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-82.9	-3.4	178	-61.6	176.1	0	0	0	113.3	F154 L162 Q190 D191 L197 R212	F154-L193 HydrophobicContact CD2-CD1 4.27Å; F154-L193 HydrophobicContact CD2-CD2 4.45Å; F154-L193 HydrophobicContact CE2-CB 4.32Å; F154-L193 HydrophobicContact CE2-CD1 4.27Å; F154-L193 HydrophobicContact CE2-CD2 4.16Å; F154-L193 HydrophobicContact CE2-CG 4.48Å; L162-L193 HydrophobicContact CD2-CD2 3.7Å; Q190-L193 HydrophobicContact CB-CD1 4.24Å; Q190-L193 HydrophobicContact CB-CG 4.43Å; Q190-L193 PolarHBondContact O-N 3.15Å; Q190-L193 VanDerWaalsContact O-N 3.13Å; D191-L193 PolarHBondContact O-N 2.85Å; L193-L197 HydrophobicContact CD2-CD2 4.29Å; L193-R212 VanDerWaalsContact O-CZ 3.27Å; L193-R212 PolarHBondContact O-NH1 3.39Å; L193-R212 PolarHBondContact O-NH2 2.04Å
194	K	96.1	Very high	95.3	Very high	82 Å²	82	50.2 Å²	50.2	36%	0.357	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-119.2	-179.2	-60.2	176.5	-170.4	157.8	0	110.8	S189 D191 H192 P196 L197 E198 R212	S189-K194 WeakPolarHBondContact O-CE 3.49Å; S189-K194 PolarHBondContact O-NZ 2.77Å; S189-K194 VanDerWaalsContact O-NZ 3.15Å; D191-K194 WeakPolarHBondContact O-CB 3.4Å; D191-K194 PolarHBondContact O-N 2.72Å; D191-K194 IonicContact OD1-NZ 3.11Å; D191-K194 PolarHBondContact OD1-NZ 3.47Å; H192-K194 VanDerWaalsContact C-N 3.29Å; H192-K194 PolarHBondContact O-N 2.84Å; K194-P196 VanDerWaalsContact C-CD 3.46Å; K194-L197 PolarHBondContact O-N 2.8Å; K194-E198 PolarHBondContact O-N 3.2Å; K194-R212 VanDerWaalsContact C-NH2 3.33Å; K194-R212 VanDerWaalsContact CA-NH2 3.33Å; K194-R212 PolarHBondContact O-NH2 3.23Å
195	K	96	Very high	94.5	Very high	138 Å²	138	52.1 Å²	52.1	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-57.2	-39.8	-179.8	-64.2	-176.3	178.3	179	0	113.8	L197 E198 A199	K195-L197 VanDerWaalsContact C-N 3.34Å; K195-L197 PolarHBondContact O-N 3.31Å; K195-E198 PolarHBondContact O-N 2.9Å; K195-A199 PolarHBondContact O-N 2.92Å
196	P	96.5	Very high	93.9	Very high	24 Å²	24	57.7 Å²	57.7	16%	0.156	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-41.3	179.1	-25	36.4	0	0	0	112.8	L75 W159 D191 K194 A199 Y200	L75-P196 HydrophobicContact CD1-CB 4.08Å; W159-P196 HydrophobicContact CH2-CB 4.41Å; W159-P196 HydrophobicContact CZ3-CB 4.41Å; D191-P196 WeakPolarHBondContact O-CD 3.27Å; K194-P196 VanDerWaalsContact C-CD 3.46Å; P196-A199 PolarHBondContact O-N 3.28Å; P196-Y200 PolarHBondContact O-N 3.04Å
197	L	96.6	Very high	93.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-47	174.8	-178.3	61.7	0	0	0	111.3	F154 W159 L162 L163 H192 L193 K194 K195 A199 Y200 L201	F154-L197 HydrophobicContact CE2-CD2 4.06Å; F154-L197 HydrophobicContact CZ-CD2 3.66Å; W159-L197 HydrophobicContact CZ3-CB 3.98Å; W159-L197 HydrophobicContact CZ3-CD1 4.13Å; L162-L197 HydrophobicContact CD2-CD1 4.19Å; L162-L197 HydrophobicContact CD2-CD2 4.01Å; L163-L197 HydrophobicContact CD2-CD1 4.06Å; H192-L197 PolarHBondContact O-N 3.49Å; L193-L197 HydrophobicContact CD2-CD2 4.29Å; K194-L197 PolarHBondContact O-N 2.8Å; K195-L197 VanDerWaalsContact C-N 3.34Å; K195-L197 PolarHBondContact O-N 3.31Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 2.95Å; L197-Y200 PolarHBondContact O-N 2.94Å; L197-Y200 VanDerWaalsContact O-N 3.15Å; L197-L201 HydrophobicContact CD1-CD1 4.18Å; L197-L201 HydrophobicContact CD1-CD2 4.17Å; L197-L201 HydrophobicContact CD1-CG 3.98Å; L197-L201 HydrophobicContact CG-CD1 3.96Å; L197-L201 HydrophobicContact CG-CG 4.17Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.23Å; L197-L201 PolarHBondContact O-N 3.15Å
198	E	95.4	Very high	93.7	Very high	73 Å²	73	60 Å²	60	34%	0.341	32%	0.323	S	S	.	.	H	α-helix	trans	-56.2	-46.5	177.8	-78.3	165.5	-153.4	0	0	112.3	K194 K195 Y200 L201 Q202 L210 R212	K194-E198 PolarHBondContact O-N 3.2Å; K195-E198 PolarHBondContact O-N 2.9Å; E198-Y200 VanDerWaalsContact C-N 3.34Å; E198-Y200 PolarHBondContact O-N 3.33Å; E198-L201 PolarHBondContact O-N 3.17Å; E198-Q202 WeakPolarHBondContact O-CG 3.17Å; E198-Q202 PolarHBondContact O-N 3.22Å; E198-L210 HydrophobicContact CG-CD2 3.55Å; E198-R212 IonicContact OE1-CZ 3.24Å; E198-R212 VanDerWaalsContact OE1-CZ 3.24Å; E198-R212 IonicContact OE1-NE 3.24Å; E198-R212 PolarHBondContact OE1-NE 3.05Å; E198-R212 IonicContact OE1-NH2 3.98Å; E198-R212 PolarHBondContact OE1-NH2 3.44Å
199	A	94.8	Very high	93.7	Very high	26 Å²	26	62.1 Å²	62.1	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-43	177.2	0	0	0	0	0	111.7	V72 K195 P196 L197 Q202	V72-A199 HydrophobicContact CG1-CB 4.34Å; V72-A199 HydrophobicContact CG2-CB 4Å; K195-A199 PolarHBondContact O-N 2.92Å; P196-A199 PolarHBondContact O-N 3.28Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 2.95Å; A199-Q202 PolarHBondContact O-N 3.27Å
200	Y	95.5	Very high	93.9	Very high	27 Å²	27	60.6 Å²	60.6	11%	0.106	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-43.2	178.1	-168.8	-88.9	0	0	0	112.3	I76 W159 L163 H167 P196 L197 E198 Q202 M203 L204	I76-Y200 HydrophobicContact CD1-CD2 4.3Å; I76-Y200 HydrophobicContact CG1-CD2 3.94Å; I76-Y200 HydrophobicContact CG1-CE2 4Å; W159-Y200 HydrophobicContact CH2-CG 4.26Å; W159-Y200 HydrophobicContact CZ2-CD2 4.06Å; W159-Y200 HydrophobicContact CZ2-CG 4.16Å; L163-Y200 HydrophobicContact CD1-CD1 3.89Å; L163-Y200 HydrophobicContact CD1-CD2 4.38Å; L163-Y200 HydrophobicContact CD1-CE1 3.56Å; L163-Y200 HydrophobicContact CD1-CE2 4.09Å; L163-Y200 HydrophobicContact CD1-CG 4.29Å; L163-Y200 HydrophobicContact CD2-CD1 3.61Å; L163-Y200 HydrophobicContact CD2-CE1 3.67Å; L163-Y200 HydrophobicContact CG-CD1 4.42Å; L163-Y200 HydrophobicContact CG-CE1 4.18Å; H167-Y200 AromaticContact NE2-CE1 3.79Å; H167-Y200 AromaticContact NE2-CZ 3.77Å; H167-Y200 PolarHBondContact NE2-OH 2.92Å; P196-Y200 PolarHBondContact O-N 3.04Å; L197-Y200 PolarHBondContact O-N 2.94Å; L197-Y200 VanDerWaalsContact O-N 3.15Å; E198-Y200 VanDerWaalsContact C-N 3.34Å; E198-Y200 PolarHBondContact O-N 3.33Å; Y200-Q202 PolarHBondContact O-N 3.47Å; Y200-M203 WeakPolarHBondContact O-CB 3.42Å; Y200-M203 PolarHBondContact O-N 3.13Å; Y200-M203 VanDerWaalsContact O-N 3.17Å; Y200-L204 HydrophobicContact CD1-CD1 3.98Å; Y200-L204 HydrophobicContact CD1-CG 4.24Å; Y200-L204 HydrophobicContact CE1-CD1 3.71Å; Y200-L204 HydrophobicContact CE1-CD2 4.19Å; Y200-L204 HydrophobicContact CE1-CG 3.97Å; Y200-L204 PolarHBondContact O-N 2.87Å
201	L	95.5	Very high	94.1	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-36.6	179.9	-65.3	-179.4	0	0	0	112.3	I166 L183 L197 E198 M203 L204 I208 L210	I166-L201 HydrophobicContact CD1-CD2 3.97Å; L183-L201 HydrophobicContact CD1-CD1 3.65Å; L183-L201 HydrophobicContact CD1-CD2 3.85Å; L183-L201 HydrophobicContact CD1-CG 4.41Å; L197-L201 HydrophobicContact CD1-CD1 4.18Å; L197-L201 HydrophobicContact CD1-CD2 4.17Å; L197-L201 HydrophobicContact CD1-CG 3.98Å; L197-L201 HydrophobicContact CG-CD1 3.96Å; L197-L201 HydrophobicContact CG-CG 4.17Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.23Å; L197-L201 PolarHBondContact O-N 3.15Å; E198-L201 PolarHBondContact O-N 3.17Å; L201-M203 PolarHBondContact O-N 3.22Å; L201-L204 HydrophobicContact CD2-CD1 4.22Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-L204 VanDerWaalsContact O-N 3.11Å; L201-I208 HydrophobicContact CD1-CG2 4.26Å; L201-I208 HydrophobicContact CD2-CD1 4Å; L201-I208 HydrophobicContact CD2-CG2 4.22Å; L201-L210 HydrophobicContact CD1-CB 4.09Å; L201-L210 HydrophobicContact CD1-CD1 4.35Å; L201-L210 HydrophobicContact CD1-CD2 4.21Å; L201-L210 HydrophobicContact CD1-CG 4.45Å
202	Q	92.1	Very high	94.2	Very high	133 Å²	133	57.4 Å²	57.4	62%	0.621	29%	0.294	S	S	*	.	H	α-helix	trans	-59	-31.8	174.5	-75.4	174	8.8	0	0	112.2	E198 A199 Y200	E198-Q202 WeakPolarHBondContact O-CG 3.17Å; E198-Q202 PolarHBondContact O-N 3.22Å; A199-Q202 PolarHBondContact O-N 3.27Å; Y200-Q202 PolarHBondContact O-N 3.47Å
203	M	92.3	Very high	94.3	Very high	139 Å²	139	55.9 Å²	55.9	69%	0.685	29%	0.288	S	S	*	.	H	α-helix	trans	-76.2	-26.1	177.2	-64.4	-179.9	63.6	0	0	113.7	I76 Y200 L201 G205	I76-M203 HydrophobicContact CD1-CE 4.27Å; I76-M203 HydrophobicContact CD1-SD 3.88Å; Y200-M203 WeakPolarHBondContact O-CB 3.42Å; Y200-M203 PolarHBondContact O-N 3.13Å; Y200-M203 VanDerWaalsContact O-N 3.17Å; L201-M203 PolarHBondContact O-N 3.22Å; M203-G205 VanDerWaalsContact C-N 3.34Å
204	L	89.8	Confident	94.1	Very high	53 Å²	53	64.1 Å²	64.1	28%	0.277	33%	0.326	S	S	.	.	H	α-helix	trans	-76.8	-19	-177.6	-72.7	178.7	0	0	0	113.8	I166 L170 Y200 L201 I208	I166-L204 HydrophobicContact CG2-CD1 3.84Å; L170-L204 HydrophobicContact CD1-CB 4.41Å; L170-L204 HydrophobicContact CD1-CD1 4.24Å; Y200-L204 HydrophobicContact CD1-CD1 3.98Å; Y200-L204 HydrophobicContact CD1-CG 4.24Å; Y200-L204 HydrophobicContact CE1-CD1 3.71Å; Y200-L204 HydrophobicContact CE1-CD2 4.19Å; Y200-L204 HydrophobicContact CE1-CG 3.97Å; Y200-L204 PolarHBondContact O-N 2.87Å; L201-L204 HydrophobicContact CD2-CD1 4.22Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-L204 VanDerWaalsContact O-N 3.11Å; L204-I208 HydrophobicContact CB-CD1 3.76Å; L204-I208 HydrophobicContact CD1-CD1 3.8Å; L204-I208 HydrophobicContact CG-CD1 4.48Å
205	G	82	Confident	94	Very high	39 Å²	39	63.1 Å²	63.1	40%	0.402	33%	0.333	S	S	.	.			trans	117.4	179.9	175.3	0	0	0	0	0	114.6	M203 K207	M203-G205 VanDerWaalsContact C-N 3.34Å; G205-K207 PolarHBondContact O-N 3.11Å
206	S	84.7	Confident	93.8	Very high	123 Å²	123	59.5 Å²	59.5	86%	0.86	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.5	-165.7	56.7	0	0	0	0	115.8	I208	S206-I208 PolarHBondContact O-N 3.41Å
207	K	93.5	Very high	93.6	Very high	57 Å²	57	60.5 Å²	60.5	25%	0.248	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.3	-179.6	-73.2	-164.6	170.7	-169.8	0	114	Q175 L178 E180 I181 G205	Q175-K207 PolarHBondContact O-NZ 3.13Å; L178-K207 WeakPolarHBondContact O-CE 3.15Å; L178-K207 PolarHBondContact O-NZ 2.77Å; E180-K207 CarbonylContact C-O 3.58Å; E180-K207 VanDerWaalsContact CA-O 3.24Å; E180-K207 WeakPolarHBondContact CA-O 3.47Å; E180-K207 WeakPolarHBondContact CB-O 3.42Å; I181-K207 PolarHBondContact N-O 3.39Å; G205-K207 PolarHBondContact O-N 3.11Å
208	I	96.7	Very high	93.4	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.128	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.4	-178.2	-51	175.9	0	0	0	109.5	I166 L170 I181 L183 L201 L204 S206	I166-I208 HydrophobicContact CG2-CD1 3.87Å; L170-I208 HydrophobicContact CD1-CD1 4.07Å; I181-I208 WeakPolarHBondContact O-CA 3.4Å; L183-I208 HydrophobicContact CD1-CG2 3.49Å; L183-I208 VanDerWaalsContact CD1-CG2 3.49Å; L183-I208 HydrophobicContact CG-CG2 4.2Å; L201-I208 HydrophobicContact CD1-CG2 4.26Å; L201-I208 HydrophobicContact CD2-CD1 4Å; L201-I208 HydrophobicContact CD2-CG2 4.22Å; L204-I208 HydrophobicContact CB-CD1 3.76Å; L204-I208 HydrophobicContact CD1-CD1 3.8Å; L204-I208 HydrophobicContact CG-CD1 4.48Å; S206-I208 PolarHBondContact O-N 3.41Å
209	R	96.5	Very high	93.3	Very high	57 Å²	57	58.6 Å²	58.6	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.7	170.3	-171.1	-176.3	-54.8	164.9	19.4	109.6	E180 I181 L183 V211 L229	E180-R209 VanDerWaalsContact CD-NH2 3.3Å; E180-R209 IonicContact OE1-CZ 3.74Å; E180-R209 IonicContact OE1-NH2 3.21Å; E180-R209 PolarHBondContact OE1-NH2 2.98Å; E180-R209 IonicContact OE2-CZ 2.77Å; E180-R209 VanDerWaalsContact OE2-CZ 3.24Å; E180-R209 IonicContact OE2-NE 3.83Å; E180-R209 PolarHBondContact OE2-NE 2.71Å; E180-R209 IonicContact OE2-NH2 2.61Å; E180-R209 PolarHBondContact OE2-NH2 3.37Å; I181-R209 PolarHBondContact O-N 3.01Å; L183-R209 PolarHBondContact N-O 3.42Å; R209-V211 HydrophobicContact CG-CG2 4.3Å; R209-L229 PolarHBondContact NH1-O 3.34Å
210	L	97.4	Very high	93.3	Very high	44 Å²	44	57.4 Å²	57.4	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.4	170.9	-177.6	64.9	0	0	0	110.3	F154 L183 E198 L201 R212	F154-L210 HydrophobicContact CE1-CD1 4Å; F154-L210 HydrophobicContact CZ-CD1 3.99Å; L183-L210 HydrophobicContact CB-CD1 3.91Å; L183-L210 CarbonylContact O-C 3.52Å; L183-L210 WeakPolarHBondContact O-CA 3.02Å; E198-L210 HydrophobicContact CG-CD2 3.55Å; L201-L210 HydrophobicContact CD1-CB 4.09Å; L201-L210 HydrophobicContact CD1-CD1 4.35Å; L201-L210 HydrophobicContact CD1-CD2 4.21Å; L201-L210 HydrophobicContact CD1-CG 4.45Å; L210-R212 HydrophobicContact CG-CG 4.47Å
211	V	97.5	Very high	93.3	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.109	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.1	177.7	-178.6	0	0	0	0	107.6	V182 L183 V184 D185 R209 L229	V182-V211 HydrophobicContact CG1-CG2 4.03Å; L183-V211 PolarHBondContact O-N 2.9Å; V184-V211 CarbonylContact C-O 3.57Å; V184-V211 WeakPolarHBondContact CA-O 3.43Å; V184-V211 HydrophobicContact CG2-CB 4.5Å; D185-V211 PolarHBondContact N-O 3.45Å; R209-V211 HydrophobicContact CG-CG2 4.3Å; V211-L229 HydrophobicContact CB-CD1 4.27Å; V211-L229 HydrophobicContact CG1-CD1 3.64Å; V211-L229 HydrophobicContact CG2-CD1 3.62Å
212	R	97.7	Very high	93.3	Very high	79 Å²	79	58.1 Å²	58.1	30%	0.298	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.4	176.2	-61.4	-162.4	-176.3	-89	-0.1	111.5	D185 L193 K194 E198 L210	D185-R212 HydrophobicContact CB-CG 4.14Å; D185-R212 IonicContact OD2-CZ 3.42Å; D185-R212 IonicContact OD2-NH1 3.47Å; D185-R212 PolarHBondContact OD2-NH1 3.17Å; L193-R212 VanDerWaalsContact O-CZ 3.27Å; L193-R212 PolarHBondContact O-NH1 3.39Å; L193-R212 PolarHBondContact O-NH2 2.04Å; K194-R212 VanDerWaalsContact C-NH2 3.33Å; K194-R212 VanDerWaalsContact CA-NH2 3.33Å; K194-R212 PolarHBondContact O-NH2 3.23Å; E198-R212 IonicContact OE1-CZ 3.24Å; E198-R212 VanDerWaalsContact OE1-CZ 3.24Å; E198-R212 IonicContact OE1-NE 3.24Å; E198-R212 PolarHBondContact OE1-NE 3.05Å; E198-R212 IonicContact OE1-NH2 3.98Å; E198-R212 PolarHBondContact OE1-NH2 3.44Å; L210-R212 HydrophobicContact CG-CG 4.47Å
213	L	96.6	Very high	93.6	Very high	25 Å²	25	52 Å²	52	13%	0.131	29%	0.285	C	S	.	.			trans	-83.5	137.7	170.5	-54.2	-170.8	0	0	0	109.5	V184 D185 D186 A215 A222 R225	V184-L213 HydrophobicContact CG1-CD1 4.18Å; V184-L213 HydrophobicContact CG1-CD2 4.21Å; V184-L213 HydrophobicContact CG1-CG 4.06Å; D185-L213 WeakPolarHBondContact O-CB 3.46Å; D185-L213 PolarHBondContact O-N 2.79Å; D186-L213 HydrophobicContact CB-CD1 4.38Å; L213-A215 VanDerWaalsContact C-N 3.29Å; L213-A215 PolarHBondContact O-N 2.82Å; L213-A222 HydrophobicContact CD1-CB 3.84Å; L213-R225 HydrophobicContact CD2-CB 4.33Å; L213-R225 HydrophobicContact CD2-CG 3.79Å
214	Q	93.5	Very high	93.8	Very high	172 Å²	172	46 Å²	46	80%	0.804	26%	0.255	S	S	*	.	S	Bend	trans	-69.5	-28.9	-178.1	-69.2	-173.7	-20.5	0	0	113
215	A	93.7	Very high	94.2	Very high	61 Å²	61	48.9 Å²	48.9	50%	0.504	26%	0.262	S	S	.	.	S	Bend	trans	-139.5	153.5	179.8	0	0	0	0	0	109.8	L213 S217	L213-A215 VanDerWaalsContact C-N 3.29Å; L213-A215 PolarHBondContact O-N 2.82Å; A215-S217 PolarHBondContact O-N 2.64Å; A215-S217 PolarHBondContact O-OG 3Å
216	R	92.4	Very high	95	Very high	62 Å²	62	47 Å²	47	23%	0.234	24%	0.243	C	C	.	.			trans	-66.8	107.3	179.5	-172.5	171.6	178	-133.5	-9.1	110	H155 A187 T348	H155-R216 PolarHBondContact NE2-NE 2.74Å; A187-R216 HydrophobicContact CB-CB 4.21Å; R216-T348 PolarHBondContact NH1-O 2.85Å; R216-T348 PolarHBondContact NH1-OG1 3.11Å; R216-T348 PolarHBondContact NH2-O 3.33Å
217	S	91.9	Very high	95.6	Very high	46 Å²	46	41.1 Å²	41.1	32%	0.322	20%	0.202	S	C	.	.			trans	-104.9	-18.7	-171.2	-57.5	0	0	0	0	112.5	D186 A215 T221	D186-S217 PolarHBondContact OD1-N 3.41Å; A215-S217 PolarHBondContact O-N 2.64Å; A215-S217 PolarHBondContact O-OG 3Å; S217-T221 PolarHBondContact O-OG1 3.47Å
218	G	92.7	Very high	95.8	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	98.9	161	-179	0	0	0	0	0	114.2	D186 I220 T221 A222	D186-G218 PolarHBondContact OD1-N 3.33Å; D186-G218 WeakPolarHBondContact OD2-CA 3.12Å; D186-G218 PolarHBondContact OD2-N 3.21Å; G218-I220 VanDerWaalsContact C-N 3.25Å; G218-I220 PolarHBondContact O-N 3.49Å; G218-T221 PolarHBondContact O-N 3.46Å; G218-A222 WeakPolarHBondContact O-CB 3.33Å; G218-A222 PolarHBondContact O-N 2.9Å
219	L	93.3	Very high	95.8	Very high	31 Å²	31	43.7 Å²	43.7	16%	0.162	22%	0.218	C	C	.	.	H	α-helix	trans	-52.8	-44.7	-179.7	178.7	65.5	0	0	0	111.8	V153 A222 R223 I310	V153-L219 HydrophobicContact CB-CD1 3.92Å; V153-L219 HydrophobicContact CG1-CD1 3.95Å; V153-L219 HydrophobicContact CG2-CD1 4.41Å; L219-A222 PolarHBondContact O-N 2.97Å; L219-R223 HydrophobicContact CD1-CG 4.2Å; L219-R223 HydrophobicContact CG-CG 4.48Å; L219-R223 WeakPolarHBondContact O-CB 3.46Å; L219-R223 VanDerWaalsContact O-CG 3.29Å; L219-R223 WeakPolarHBondContact O-CG 3.47Å; L219-R223 PolarHBondContact O-N 2.67Å; L219-I310 WeakPolarHBondContact CB-O 3.14Å; L219-I310 PolarHBondContact N-O 3.41Å
220	I	93.9	Very high	95.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-55.8	-172.9	-56.2	173.1	0	0	0	110.1	G218 A222 R223 I224 Y304 M308 E314	G218-I220 VanDerWaalsContact C-N 3.25Å; G218-I220 PolarHBondContact O-N 3.49Å; I220-A222 VanDerWaalsContact C-N 3.31Å; I220-A222 PolarHBondContact O-N 2.85Å; I220-R223 PolarHBondContact O-N 2.93Å; I220-I224 HydrophobicContact CG2-CD1 4.44Å; I220-I224 WeakPolarHBondContact O-CG1 3.38Å; I220-I224 PolarHBondContact O-N 3.46Å; I220-Y304 HydrophobicContact CG2-CD2 4.34Å; I220-Y304 HydrophobicContact CG2-CG 3.93Å; I220-M308 HydrophobicContact CD1-CB 3.28Å; I220-M308 HydrophobicContact CD1-CG 4.28Å; I220-M308 HydrophobicContact CD1-SD 4.05Å; I220-E314 HydrophobicContact CD1-CB 3.75Å; I220-E314 HydrophobicContact CD1-CG 4.33Å; I220-E314 HydrophobicContact CG1-CB 3.94Å; I220-E314 HydrophobicContact CG1-CG 4.06Å
221	T	95.2	Very high	95.9	Very high	53 Å²	53	45.1 Å²	45.1	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-40.7	177.8	-50.5	0	0	0	0	111.6	S217 G218 R223 I224 R225	S217-T221 PolarHBondContact O-OG1 3.47Å; G218-T221 PolarHBondContact O-N 3.46Å; T221-R223 PolarHBondContact O-N 2.84Å; T221-I224 PolarHBondContact O-N 3.04Å; T221-R225 WeakPolarHBondContact O-CB 3.1Å; T221-R225 PolarHBondContact O-N 3.14Å
222	A	97.1	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-39.4	177.2	0	0	0	0	0	112.3	V153 V184 D186 L213 G218 L219 I220 R225 G226	V153-A222 HydrophobicContact CB-CB 4.36Å; V153-A222 HydrophobicContact CG1-CB 3.49Å; V153-A222 VanDerWaalsContact CG1-CB 3.49Å; V153-A222 HydrophobicContact CG2-CB 3.87Å; V184-A222 HydrophobicContact CG1-CB 3.96Å; D186-A222 HydrophobicContact CB-CB 4.17Å; L213-A222 HydrophobicContact CD1-CB 3.84Å; G218-A222 WeakPolarHBondContact O-CB 3.33Å; G218-A222 PolarHBondContact O-N 2.9Å; L219-A222 PolarHBondContact O-N 2.97Å; I220-A222 VanDerWaalsContact C-N 3.31Å; I220-A222 PolarHBondContact O-N 2.85Å; A222-R225 PolarHBondContact O-N 2.76Å; A222-G226 PolarHBondContact O-N 2.91Å
223	R	97.5	Very high	95.5	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-44.2	173.6	-78.9	-176	178.4	-176.3	-3.2	112.1	V153 L219 I220 T221 R225 G226 A227 F237 D239 G288 G289 Y304	V153-R223 HydrophobicContact CG2-CB 4.43Å; V153-R223 HydrophobicContact CG2-CG 3.65Å; L219-R223 HydrophobicContact CD1-CG 4.2Å; L219-R223 HydrophobicContact CG-CG 4.48Å; L219-R223 WeakPolarHBondContact O-CB 3.46Å; L219-R223 VanDerWaalsContact O-CG 3.29Å; L219-R223 WeakPolarHBondContact O-CG 3.47Å; L219-R223 PolarHBondContact O-N 2.67Å; I220-R223 PolarHBondContact O-N 2.93Å; T221-R223 PolarHBondContact O-N 2.84Å; R223-R225 VanDerWaalsContact C-N 3.29Å; R223-R225 PolarHBondContact O-N 3.38Å; R223-G226 PolarHBondContact O-N 2.59Å; R223-A227 WeakPolarHBondContact O-CB 3.45Å; R223-A227 PolarHBondContact O-N 3.44Å; R223-F237 HydrophobicContact CB-CD1 4.16Å; R223-F237 HydrophobicContact CB-CE1 3.76Å; R223-F237 HydrophobicContact CG-CD1 3.83Å; R223-F237 HydrophobicContact CG-CE1 3.97Å; R223-D239 IonicContact NH2-OD1 3.78Å; R223-D239 PolarHBondContact NH2-OD1 2.77Å; R223-D239 VanDerWaalsContact NH2-OD1 3.16Å; R223-G288 PolarHBondContact NH1-O 3.35Å; R223-G288 PolarHBondContact NH2-O 3.24Å; R223-G289 VanDerWaalsContact NH2-CA 3.32Å; R223-G289 PolarHBondContact NH2-O 3.32Å; R223-Y304 HydrophobicContact CB-CD2 4.37Å; R223-Y304 HydrophobicContact CB-CE2 4.09Å; R223-Y304 PolarHBondContact NH1-OH 2.73Å
224	I	97.1	Very high	95.4	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-46	174	-64.5	167.3	0	0	0	109.6	I220 T221 G226 A227 L228 Y304 E306	I220-I224 HydrophobicContact CG2-CD1 4.44Å; I220-I224 WeakPolarHBondContact O-CG1 3.38Å; I220-I224 PolarHBondContact O-N 3.46Å; T221-I224 PolarHBondContact O-N 3.04Å; I224-G226 PolarHBondContact O-N 3.07Å; I224-A227 WeakPolarHBondContact O-CB 3.39Å; I224-A227 PolarHBondContact O-N 2.89Å; I224-L228 HydrophobicContact CG2-CD1 3.97Å; I224-L228 HydrophobicContact CG2-CG 4.33Å; I224-L228 WeakPolarHBondContact O-CG 3.07Å; I224-L228 PolarHBondContact O-N 3.4Å; I224-Y304 HydrophobicContact CG1-CD2 4.32Å; I224-E306 HydrophobicContact CD1-CG 3.66Å
225	R	97.6	Very high	95.5	Very high	114 Å²	114	39 Å²	39	43%	0.43	20%	0.196	S	C	.	.	H	α-helix	trans	-62.6	-42	179.8	-172.5	56.9	173.2	174.5	2	112.3	L213 T221 A222 R223 L228 L229	L213-R225 HydrophobicContact CD2-CB 4.33Å; L213-R225 HydrophobicContact CD2-CG 3.79Å; T221-R225 WeakPolarHBondContact O-CB 3.1Å; T221-R225 PolarHBondContact O-N 3.14Å; A222-R225 PolarHBondContact O-N 2.76Å; R223-R225 VanDerWaalsContact C-N 3.29Å; R223-R225 PolarHBondContact O-N 3.38Å; R225-L228 PolarHBondContact O-N 3.48Å; R225-L229 HydrophobicContact CG-CD1 4.33Å; R225-L229 WeakPolarHBondContact O-CG 3.36Å; R225-L229 PolarHBondContact O-N 2.69Å
226	G	97.9	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-45.7	173.5	0	0	0	0	0	112.4	A222 R223 I224 L228 L229 A230	A222-G226 PolarHBondContact O-N 2.91Å; R223-G226 PolarHBondContact O-N 2.59Å; I224-G226 PolarHBondContact O-N 3.07Å; G226-L228 VanDerWaalsContact C-N 3.33Å; G226-L228 PolarHBondContact O-N 3.18Å; G226-L229 PolarHBondContact O-N 3.45Å; G226-A230 WeakPolarHBondContact O-CB 3.23Å; G226-A230 PolarHBondContact O-N 3.04Å
227	A	97.6	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-36.8	178.3	0	0	0	0	0	113.3	R223 I224 L229 L235 F237 F298 F299	R223-A227 WeakPolarHBondContact O-CB 3.45Å; R223-A227 PolarHBondContact O-N 3.44Å; I224-A227 WeakPolarHBondContact O-CB 3.39Å; I224-A227 PolarHBondContact O-N 2.89Å; A227-L229 VanDerWaalsContact C-N 3.32Å; A227-L235 HydrophobicContact CB-CD1 3.66Å; A227-L235 HydrophobicContact CB-CD2 4.41Å; A227-F237 HydrophobicContact CB-CE1 4.49Å; A227-F237 HydrophobicContact CB-CZ 4.06Å; A227-F298 HydrophobicContact CB-CD1 4.41Å; A227-F298 HydrophobicContact CB-CE1 4Å; A227-F299 HydrophobicContact CB-CZ 3.87Å
228	L	97.7	Very high	96.1	Very high	89 Å²	89	31.1 Å²	31.1	47%	0.466	15%	0.147	S	C	.	.	H	α-helix	trans	-66.7	-34.6	177.1	-74.7	169.4	0	0	0	112.4	I224 R225 G226 F299	I224-L228 HydrophobicContact CG2-CD1 3.97Å; I224-L228 HydrophobicContact CG2-CG 4.33Å; I224-L228 WeakPolarHBondContact O-CG 3.07Å; I224-L228 PolarHBondContact O-N 3.4Å; R225-L228 PolarHBondContact O-N 3.48Å; G226-L228 VanDerWaalsContact C-N 3.33Å; G226-L228 PolarHBondContact O-N 3.18Å; L228-F299 HydrophobicContact CD2-CE1 3.66Å; L228-F299 HydrophobicContact CD2-CZ 3.77Å; L228-F299 HydrophobicContact CG-CE1 4.15Å; L228-F299 HydrophobicContact CG-CZ 4.11Å
229	L	97.6	Very high	96.3	Very high	46 Å²	46	32.2 Å²	32.2	24%	0.241	15%	0.152	C	C	.	.	H	α-helix	trans	-88.6	-19.2	-176.9	-66	172.2	0	0	0	113.5	R209 V211 R225 G226 A227	R209-L229 PolarHBondContact NH1-O 3.34Å; V211-L229 HydrophobicContact CB-CD1 4.27Å; V211-L229 HydrophobicContact CG1-CD1 3.64Å; V211-L229 HydrophobicContact CG2-CD1 3.62Å; R225-L229 HydrophobicContact CG-CD1 4.33Å; R225-L229 WeakPolarHBondContact O-CG 3.36Å; R225-L229 PolarHBondContact O-N 2.69Å; G226-L229 PolarHBondContact O-N 3.45Å; A227-L229 VanDerWaalsContact C-N 3.32Å
230	A	97.9	Very high	96.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	15%	0.145	C	C	.	.			trans	-61.2	143.2	177.1	0	0	0	0	0	112.1	V151 V182 G226 L235 R295	V151-A230 HydrophobicContact CG2-CB 4.49Å; V182-A230 HydrophobicContact CG2-CB 4.31Å; G226-A230 WeakPolarHBondContact O-CB 3.23Å; G226-A230 PolarHBondContact O-N 3.04Å; A230-L235 HydrophobicContact CB-CD2 3.45Å; A230-L235 VanDerWaalsContact CB-CD2 3.45Å; A230-R295 PolarHBondContact O-NE 2.92Å; A230-R295 PolarHBondContact O-NH1 3.09Å; A230-R295 PolarHBondContact O-NH2 2.88Å
231	K	97.1	Very high	96.5	Very high	130 Å²	130	31.8 Å²	31.8	57%	0.565	15%	0.149	S	C	*	.			trans	-103	-27.2	-179.6	-68.7	172.3	172.8	169.5	0	114.1	S149 E179 E180 R295	S149-K231 PolarHBondContact OG-N 3.13Å; E179-K231 HydrophobicContact CG-CB 4.22Å; E180-K231 VanDerWaalsContact OE1-CB 3.3Å; E180-K231 WeakPolarHBondContact OE1-CB 3.4Å; E180-K231 VanDerWaalsContact OE1-CG 3.31Å; E180-K231 WeakPolarHBondContact OE1-CG 3.42Å; E180-K231 PolarHBondContact OE1-N 3.18Å; K231-R295 PolarHBondContact O-NH1 3.14Å
232	G	95.4	Very high	96.6	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	13%	0.134	C	C	.	.	S	Bend	trans	-58.9	154.2	-176.8	0	0	0	0	0	112.8	S149 V234 R295	S149-G232 WeakPolarHBondContact OG-CA 3.44Å; S149-G232 PolarHBondContact OG-N 3.39Å; G232-V234 VanDerWaalsContact C-N 3.28Å; G232-R295 WeakPolarHBondContact O-CD 3.32Å
233	K	93	Very high	96.6	Very high	153 Å²	153	30 Å²	30	67%	0.665	14%	0.138	S	C	*	.	S	Bend	trans	-69.7	-32.2	174.7	-70.5	-171.7	176.7	-174	0	111.3	P146 A147 R295	P146-K233 HydrophobicContact CB-CB 4.07Å; P146-K233 HydrophobicContact CB-CD 4.41Å; A147-K233 PolarHBondContact O-N 3.06Å; K233-R295 WeakPolarHBondContact O-CB 3.28Å; K233-R295 PolarHBondContact O-N 3.24Å
234	V	94.1	Very high	96.4	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.5	173.4	176.6	0	0	0	0	109.1	P146 A147 T148 S149 G232 V253 V293	P146-V234 HydrophobicContact CB-CG2 4.02Å; P146-V234 HydrophobicContact CG-CG2 3.54Å; A147-V234 PolarHBondContact O-N 3.16Å; T148-V234 CarbonylContact C-O 3.52Å; T148-V234 VanDerWaalsContact CA-O 3.26Å; T148-V234 WeakPolarHBondContact CA-O 3.44Å; T148-V234 PolarHBondContact OG1-O 2.97Å; T148-V234 VanDerWaalsContact OG1-O 3.1Å; S149-V234 PolarHBondContact N-O 3Å; G232-V234 VanDerWaalsContact C-N 3.28Å; V234-V253 HydrophobicContact CG1-CG1 4.21Å; V234-V293 WeakPolarHBondContact CA-O 3.47Å; V234-V293 WeakPolarHBondContact CG1-O 3.36Å
235	L	95.7	Very high	96.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.2	166.5	-61.3	174.4	0	0	0	108	A227 A230 F237 S292 V293 R295 F298	A227-L235 HydrophobicContact CB-CD1 3.66Å; A227-L235 HydrophobicContact CB-CD2 4.41Å; A230-L235 HydrophobicContact CB-CD2 3.45Å; A230-L235 VanDerWaalsContact CB-CD2 3.45Å; L235-F237 HydrophobicContact CB-CE2 3.93Å; L235-F237 HydrophobicContact CB-CZ 4.36Å; L235-F237 HydrophobicContact CD1-CE2 4.23Å; L235-F237 HydrophobicContact CD1-CZ 4.14Å; L235-S292 CarbonylContact O-C 3.59Å; L235-S292 WeakPolarHBondContact O-CA 3.36Å; L235-V293 HydrophobicContact CB-CG1 4.07Å; L235-V293 PolarHBondContact N-O 3.15Å; L235-V293 PolarHBondContact O-N 3.16Å; L235-R295 HydrophobicContact CD1-CB 4.32Å; L235-R295 HydrophobicContact CD1-CG 4.1Å; L235-R295 HydrophobicContact CD2-CB 4.39Å; L235-R295 HydrophobicContact CD2-CG 4.11Å; L235-R295 HydrophobicContact CG-CB 3.9Å; L235-R295 HydrophobicContact CG-CG 3.98Å; L235-F298 HydrophobicContact CD1-CB 4.23Å; L235-F298 HydrophobicContact CD1-CD1 3.75Å; L235-F298 HydrophobicContact CD1-CE1 4.37Å; L235-F298 HydrophobicContact CD1-CG 4.09Å
236	T	96.5	Very high	95.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	106	172.2	-61.5	0	0	0	0	109.2	T148 S149 V150 V151 L238 W248 F291 S292	T148-T236 PolarHBondContact OG1-N 3.45Å; T148-T236 PolarHBondContact OG1-OG1 3.23Å; S149-T236 PolarHBondContact O-N 3.27Å; V150-T236 CarbonylContact C-O 3.43Å; V150-T236 VanDerWaalsContact CA-O 3.24Å; V150-T236 WeakPolarHBondContact CA-O 3.25Å; V150-T236 HydrophobicContact CG2-CG2 4.41Å; V151-T236 PolarHBondContact N-O 3.47Å; T236-L238 HydrophobicContact CG2-CG 4.4Å; T236-W248 HydrophobicContact CG2-CH2 3.67Å; T236-W248 HydrophobicContact CG2-CZ3 3.76Å; T236-F291 CarbonylContact C-O 3.46Å; T236-F291 WeakPolarHBondContact CA-O 3.39Å; T236-S292 WeakPolarHBondContact CB-OG 3.49Å; T236-S292 WeakPolarHBondContact CG2-OG 3.44Å; T236-S292 PolarHBondContact OG1-OG 2.69Å
237	F	96.9	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.5	176.9	-64	-84.3	0	0	0	110.3	V151 R223 A227 L235 L290 F291 V293 F298	V151-F237 HydrophobicContact CB-CD1 3.82Å; V151-F237 HydrophobicContact CB-CE1 3.98Å; V151-F237 HydrophobicContact CG1-CD1 4.02Å; V151-F237 HydrophobicContact CG1-CE1 3.99Å; V151-F237 HydrophobicContact CG2-CE1 4.33Å; V151-F237 WeakPolarHBondContact O-CA 3.47Å; R223-F237 HydrophobicContact CB-CD1 4.16Å; R223-F237 HydrophobicContact CB-CE1 3.76Å; R223-F237 HydrophobicContact CG-CD1 3.83Å; R223-F237 HydrophobicContact CG-CE1 3.97Å; A227-F237 HydrophobicContact CB-CE1 4.49Å; A227-F237 HydrophobicContact CB-CZ 4.06Å; L235-F237 HydrophobicContact CB-CE2 3.93Å; L235-F237 HydrophobicContact CB-CZ 4.36Å; L235-F237 HydrophobicContact CD1-CE2 4.23Å; L235-F237 HydrophobicContact CD1-CZ 4.14Å; F237-L290 WeakPolarHBondContact O-CA 3.1Å; F237-F291 HydrophobicContact CB-CD1 4.2Å; F237-F291 HydrophobicContact CB-CE1 3.96Å; F237-F291 HydrophobicContact CB-CZ 4.39Å; F237-F291 HydrophobicContact CD2-CD1 4.29Å; F237-F291 HydrophobicContact CD2-CD2 4.1Å; F237-F291 AromaticContact CD2-CE1 3.67Å; F237-F291 HydrophobicContact CD2-CE1 3.67Å; F237-F291 AromaticContact CD2-CE2 3.46Å; F237-F291 HydrophobicContact CD2-CE2 3.46Å; F237-F291 VanDerWaalsContact CD2-CE2 3.46Å; F237-F291 HydrophobicContact CD2-CG 4.48Å; F237-F291 AromaticContact CD2-CZ 3.21Å; F237-F291 HydrophobicContact CD2-CZ 3.21Å; F237-F291 HydrophobicContact CE2-CE1 4.44Å; F237-F291 AromaticContact CE2-CE2 3.74Å; F237-F291 HydrophobicContact CE2-CE2 3.74Å; F237-F291 AromaticContact CE2-CZ 3.59Å; F237-F291 HydrophobicContact CE2-CZ 3.59Å; F237-F291 AromaticContact CG-CE1 3.99Å; F237-F291 HydrophobicContact CG-CE1 3.99Å; F237-F291 AromaticContact CG-CZ 3.95Å; F237-F291 HydrophobicContact CG-CZ 3.95Å; F237-F291 PolarHBondContact N-O 3.35Å; F237-F291 PolarHBondContact O-N 3.16Å; F237-V293 HydrophobicContact CE2-CG1 4.27Å; F237-F298 HydrophobicContact CE2-CE2 4.4Å; F237-F298 HydrophobicContact CE2-CZ 4.45Å; F237-F298 HydrophobicContact CZ-CE1 4.38Å; F237-F298 HydrophobicContact CZ-CZ 4.17Å
238	L	96.9	Very high	95	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.9	172.9	-66.7	-179	0	0	0	109.9	V150 V151 I152 V169 T236 V242 V244 W248 L290 V337	V150-L238 HydrophobicContact CG1-CD1 3.73Å; V150-L238 HydrophobicContact CG1-CG 4.13Å; V151-L238 PolarHBondContact O-N 3.04Å; I152-L238 WeakPolarHBondContact CA-O 3.33Å; I152-L238 HydrophobicContact CG1-CB 3.95Å; V169-L238 HydrophobicContact CG2-CD1 3.6Å; T236-L238 HydrophobicContact CG2-CG 4.4Å; L238-V242 HydrophobicContact CB-CG2 4.13Å; L238-V242 HydrophobicContact CD1-CG2 4.25Å; L238-V242 HydrophobicContact CD2-CG2 4.42Å; L238-V244 HydrophobicContact CD1-CG1 3.98Å; L238-W248 HydrophobicContact CD1-CH2 3.75Å; L238-W248 HydrophobicContact CD1-CZ2 4.42Å; L238-W248 HydrophobicContact CD1-CZ3 4.26Å; L238-W248 HydrophobicContact CD2-CH2 4.32Å; L238-W248 HydrophobicContact CD2-CZ3 4.02Å; L238-W248 HydrophobicContact CG-CH2 4.34Å; L238-L290 HydrophobicContact CD2-CB 4.32Å; L238-L290 HydrophobicContact CD2-CD2 3.8Å; L238-L290 HydrophobicContact CD2-CG 3.98Å; L238-V337 HydrophobicContact CD2-CG1 4.46Å
239	D	95.6	Very high	94.6	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	159.8	169.4	-63	-30.2	0	0	0	110.6	R223 H241 V242 G289 H339	R223-D239 IonicContact NH2-OD1 3.78Å; R223-D239 PolarHBondContact NH2-OD1 2.77Å; R223-D239 VanDerWaalsContact NH2-OD1 3.16Å; D239-H241 PolarHBondContact O-N 3.45Å; D239-V242 HydrophobicContact CB-CG1 3.93Å; D239-V242 WeakPolarHBondContact O-CG2 3.31Å; D239-G289 WeakPolarHBondContact OD2-CA 3.49Å; D239-H339 IonicContact OD2-CD2 3.29Å; D239-H339 PolarHBondContact OD2-CD2 3.17Å; D239-H339 IonicContact OD2-NE2 2.76Å; D239-H339 PolarHBondContact OD2-NE2 3.07Å
240	A	97	Very high	94	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	6	-174.4	0	0	0	0	0	115.3	I152 F154 E157 T161 L162 T165	I152-A240 HydrophobicContact CG2-CB 3.97Å; F154-A240 HydrophobicContact CB-CB 3.62Å; E157-A240 HydrophobicContact CB-CB 4.34Å; E157-A240 HydrophobicContact CG-CB 3.84Å; T161-A240 CarbonylContact C-O 3.58Å; L162-A240 WeakPolarHBondContact CA-O 3.43Å; L162-A240 HydrophobicContact CD1-CB 4.05Å; L162-A240 PolarHBondContact N-O 3.04Å; T165-A240 VanDerWaalsContact OG1-C 3.24Å; T165-A240 PolarHBondContact OG1-O 3.32Å; T165-A240 VanDerWaalsContact OG1-O 3.04Å
241	H	95.6	Very high	93.2	Very high	21 Å²	21	21.9 Å²	21.9	10%	0.097	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.5	53.6	-176.4	40.3	-90.5	0	0	0	110	E157 T161 T165 D239 H339 V340 R342	E157-H241 IonicContact OE1-ND1 2.82Å; E157-H241 IonicContact OE2-CE1 3.27Å; E157-H241 IonicContact OE2-CG 3.21Å; E157-H241 IonicContact OE2-ND1 2.66Å; E157-H241 PolarHBondContact OE2-ND1 3.43Å; T161-H241 HydrophobicContact CG2-CB 4.5Å; T165-H241 PolarHBondContact OG1-N 3.34Å; D239-H241 PolarHBondContact O-N 3.45Å; H241-H339 AromaticContact CD2-CD2 3.94Å; H241-H339 AromaticContact CD2-CE1 3.95Å; H241-H339 AromaticContact CD2-NE2 3.44Å; H241-H339 PolarHBondContact CD2-NE2 3.48Å; H241-H339 AromaticContact NE2-CE1 3.93Å; H241-H339 AromaticContact NE2-NE2 3.31Å; H241-H339 PolarHBondContact NE2-NE2 3.34Å; H241-V340 HydrophobicContact CB-CB 4.21Å; H241-V340 HydrophobicContact CB-CG2 4.41Å; H241-V340 PolarHBondContact O-N 3.3Å; H241-R342 VanDerWaalsContact CE1-CZ 3.44Å; H241-R342 PolarHBondContact CE1-NH2 2.98Å; H241-R342 VanDerWaalsContact CE1-NH2 3.27Å; H241-R342 PolarHBondContact ND1-NH2 3.05Å
242	V	96.4	Very high	92.3	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	161.1	179.6	-53.8	0	0	0	0	111.1	T165 L238 D239 L290 V337 G338 H339	T165-V242 VanDerWaalsContact CA-O 3.27Å; T165-V242 WeakPolarHBondContact CA-O 3.46Å; T165-V242 WeakPolarHBondContact CB-O 3.5Å; T165-V242 HydrophobicContact CG2-CG2 3.56Å; T165-V242 PolarHBondContact OG1-N 3.37Å; T165-V242 PolarHBondContact OG1-O 3.06Å; L238-V242 HydrophobicContact CB-CG2 4.13Å; L238-V242 HydrophobicContact CD1-CG2 4.25Å; L238-V242 HydrophobicContact CD2-CG2 4.42Å; D239-V242 HydrophobicContact CB-CG1 3.93Å; D239-V242 WeakPolarHBondContact O-CG2 3.31Å; V242-L290 HydrophobicContact CG1-CD1 4.3Å; V242-L290 HydrophobicContact CG1-CD2 4.07Å; V242-L290 HydrophobicContact CG1-CG 4.46Å; V242-V337 HydrophobicContact CB-CG1 3.77Å; V242-V337 HydrophobicContact CG1-CG1 4.46Å; V242-V337 HydrophobicContact CG2-CG1 4.01Å; V242-G338 CarbonylContact C-O 3.13Å; V242-G338 WeakPolarHBondContact CA-O 3.2Å; V242-G338 WeakPolarHBondContact CB-O 3.09Å; V242-H339 HydrophobicContact CG1-CB 4.21Å
243	E	97	Very high	91.4	Very high	14 Å²	14	16.1 Å²	16.1	7%	0.065	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118.1	169.1	-63.5	178.5	-123.6	0	0	109.8	R126 L128 R164 G338	R126-E243 IonicContact CZ-OE1 3.74Å; R126-E243 VanDerWaalsContact CZ-OE1 3.27Å; R126-E243 IonicContact CZ-OE2 3.7Å; R126-E243 IonicContact NE-OE1 3.26Å; R126-E243 PolarHBondContact NE-OE1 3.29Å; R126-E243 VanDerWaalsContact NE-OE1 3.17Å; R126-E243 IonicContact NE-OE2 2.78Å; R126-E243 PolarHBondContact NE-OE2 2.96Å; R126-E243 IonicContact NH2-OE1 3.41Å; R126-E243 PolarHBondContact NH2-OE1 3.38Å; R126-E243 IonicContact NH2-OE2 3.76Å; L128-E243 HydrophobicContact CD1-CB 3.8Å; R164-E243 WeakPolarHBondContact CD-OE1 3.32Å; R164-E243 WeakPolarHBondContact CD-OE2 3.38Å; R164-E243 HydrophobicContact CG-CG 3.91Å; E243-G338 PolarHBondContact N-O 2.88Å; E243-G338 PolarHBondContact O-N 3.45Å
244	V	94.8	Very high	90.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.4	-179.5	-56.7	0	0	0	0	110.4	S168 V169 R172 L238 W248 V337	S168-V244 VanDerWaalsContact C-CG2 3.42Å; S168-V244 WeakPolarHBondContact O-CG2 3.29Å; S168-V244 PolarHBondContact OG-N 2.98Å; V169-V244 HydrophobicContact CG2-CG1 4.13Å; V169-V244 HydrophobicContact CG2-CG2 4.35Å; R172-V244 HydrophobicContact CB-CG2 4.16Å; R172-V244 WeakPolarHBondContact CD-O 3.12Å; R172-V244 PolarHBondContact NH1-O 3.41Å; L238-V244 HydrophobicContact CD1-CG1 3.98Å; V244-W248 HydrophobicContact CB-CB 4.38Å; V244-W248 HydrophobicContact CB-CD2 3.61Å; V244-W248 HydrophobicContact CB-CE3 4.29Å; V244-W248 HydrophobicContact CB-CG 3.61Å; V244-W248 HydrophobicContact CB-CZ2 4.31Å; V244-W248 HydrophobicContact CG1-CD2 3.67Å; V244-W248 HydrophobicContact CG1-CE3 3.91Å; V244-W248 HydrophobicContact CG1-CG 4.23Å; V244-W248 HydrophobicContact CG1-CH2 4.04Å; V244-W248 HydrophobicContact CG1-CZ2 3.82Å; V244-W248 HydrophobicContact CG1-CZ3 4.09Å; V244-W248 HydrophobicContact CG2-CD2 4.25Å; V244-W248 HydrophobicContact CG2-CG 4.19Å; V244-W248 HydrophobicContact CG2-CZ2 4.38Å; V244-V337 HydrophobicContact CB-CG2 4.39Å; V244-V337 HydrophobicContact CG1-CG1 3.88Å; V244-V337 HydrophobicContact CG1-CG2 3.96Å
245	T	92.4	Very high	88.5	Confident	5 Å²	5	13.7 Å²	13.7	3%	0.031	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-88.4	163.9	178.7	62.8	0	0	0	0	110.9	L128 Y131 G247 W248 H336	L128-T245 HydrophobicContact CD1-CG2 4.19Å; Y131-T245 HydrophobicContact CD2-CG2 3.84Å; Y131-T245 HydrophobicContact CE2-CG2 4.07Å; T245-G247 PolarHBondContact O-N 2.99Å; T245-W248 WeakPolarHBondContact O-CB 3.24Å; T245-W248 PolarHBondContact O-N 2.78Å; T245-H336 WeakPolarHBondContact CB-O 3.25Å; T245-H336 HydrophobicContact CG2-CB 3.95Å; T245-H336 WeakPolarHBondContact CG2-O 3.39Å; T245-H336 PolarHBondContact N-O 3.47Å; T245-H336 VanDerWaalsContact N-O 3.1Å; T245-H336 WeakPolarHBondContact OG1-CB 3.14Å; T245-H336 PolarHBondContact OG1-O 3.28Å
246	P	89.5	Confident	86.2	Confident	45 Å²	45	20.7 Å²	20.7	29%	0.292	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135.5	172.3	-26.1	35.9	0	0	0	111.6	N132 W248	N132-P246 PolarHBondContact ND2-O 3.02Å; P246-W248 VanDerWaalsContact C-N 3.33Å; P246-W248 PolarHBondContact O-N 3.22Å
247	G	87	Confident	83.8	Confident	12 Å²	12	21.1 Å²	21.1	12%	0.124	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	21.6	176.9	0	0	0	0	0	115.8	N132 T245 E250 P251	N132-G247 WeakPolarHBondContact ND2-CA 2.98Å; T245-G247 PolarHBondContact O-N 2.99Å; G247-E250 WeakPolarHBondContact CA-OE2 3.23Å; G247-P251 VanDerWaalsContact O-CD 3.3Å; G247-P251 WeakPolarHBondContact O-CD 3.34Å
248	W	90.4	Very high	81.4	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.015	12%	0.118	C	C	.	.			trans	-71.1	-29.9	179.6	75.9	-72.8	0	0	0	113.5	V150 V169 S173 T236 L238 V244 T245 P246 T252 S335 V337	V150-W248 HydrophobicContact CG2-CH2 4.46Å; V169-W248 HydrophobicContact CG1-CZ2 4.47Å; V169-W248 HydrophobicContact CG2-CZ2 4.46Å; S173-W248 PolarHBondContact OG-NE1 3.42Å; T236-W248 HydrophobicContact CG2-CH2 3.67Å; T236-W248 HydrophobicContact CG2-CZ3 3.76Å; L238-W248 HydrophobicContact CD1-CH2 3.75Å; L238-W248 HydrophobicContact CD1-CZ2 4.42Å; L238-W248 HydrophobicContact CD1-CZ3 4.26Å; L238-W248 HydrophobicContact CD2-CH2 4.32Å; L238-W248 HydrophobicContact CD2-CZ3 4.02Å; L238-W248 HydrophobicContact CG-CH2 4.34Å; V244-W248 HydrophobicContact CB-CB 4.38Å; V244-W248 HydrophobicContact CB-CD2 3.61Å; V244-W248 HydrophobicContact CB-CE3 4.29Å; V244-W248 HydrophobicContact CB-CG 3.61Å; V244-W248 HydrophobicContact CB-CZ2 4.31Å; V244-W248 HydrophobicContact CG1-CD2 3.67Å; V244-W248 HydrophobicContact CG1-CE3 3.91Å; V244-W248 HydrophobicContact CG1-CG 4.23Å; V244-W248 HydrophobicContact CG1-CH2 4.04Å; V244-W248 HydrophobicContact CG1-CZ2 3.82Å; V244-W248 HydrophobicContact CG1-CZ3 4.09Å; V244-W248 HydrophobicContact CG2-CD2 4.25Å; V244-W248 HydrophobicContact CG2-CG 4.19Å; V244-W248 HydrophobicContact CG2-CZ2 4.38Å; T245-W248 WeakPolarHBondContact O-CB 3.24Å; T245-W248 PolarHBondContact O-N 2.78Å; P246-W248 VanDerWaalsContact C-N 3.33Å; P246-W248 PolarHBondContact O-N 3.22Å; W248-T252 PolarHBondContact O-OG1 3.17Å; W248-S335 WeakPolarHBondContact O-CB 3.26Å; W248-S335 PolarHBondContact O-OG 3.11Å; W248-V337 HydrophobicContact CD2-CG2 4.37Å; W248-V337 HydrophobicContact CE3-CG2 3.69Å; W248-V337 HydrophobicContact CZ3-CG2 4.29Å
249	L	89.4	Confident	78.6	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-84.2	-44.2	-164.2	-169.3	57.4	0	0	0	111.8	T148 L177 P251 T252 V253	T148-L249 HydrophobicContact CG2-CD1 3.85Å; T148-L249 HydrophobicContact CG2-CD2 3.89Å; T148-L249 HydrophobicContact CG2-CG 4.24Å; L177-L249 HydrophobicContact CB-CD2 4.04Å; L249-P251 VanDerWaalsContact C-CD 3.47Å; L249-T252 PolarHBondContact O-N 2.64Å; L249-V253 HydrophobicContact CD1-CG1 3.85Å; L249-V253 HydrophobicContact CG-CG1 4.06Å; L249-V253 PolarHBondContact O-N 2.89Å
250	E	85.9	Confident	76.1	Confident	26 Å²	26	20.6 Å²	20.6	12%	0.121	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-40.8	-171.1	-50.5	99.2	119	0	0	113.3	L142 L145 P174 L177 G247	L142-E250 HydrophobicContact CD2-CB 3.67Å; L142-E250 HydrophobicContact CD2-CG 3.52Å; L145-E250 HydrophobicContact CD1-CB 3.79Å; L145-E250 HydrophobicContact CD1-CG 4.37Å; L145-E250 WeakPolarHBondContact CD1-O 3.47Å; P174-E250 HydrophobicContact CG-CG 4.01Å; L177-E250 HydrophobicContact CD1-CG 3.81Å; G247-E250 WeakPolarHBondContact CA-OE2 3.23Å
251	P	80.6	Confident	73.4	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-73	-28	174.2	-10.6	26.4	0	0	0	113.3	G247 L249 F277 H332 C334	G247-P251 VanDerWaalsContact O-CD 3.3Å; G247-P251 WeakPolarHBondContact O-CD 3.34Å; L249-P251 VanDerWaalsContact C-CD 3.47Å; P251-F277 HydrophobicContact CG-CE1 4.5Å; P251-H332 HydrophobicContact CB-CB 4.48Å; P251-H332 WeakPolarHBondContact CB-CE1 3.41Å; P251-H332 VanDerWaalsContact CB-ND1 3.29Å; P251-H332 WeakPolarHBondContact CB-ND1 3.32Å; P251-H332 WeakPolarHBondContact CB-NE2 3.45Å; P251-H332 PolarHBondContact O-CD2 3.31Å; P251-C334 HydrophobicContact CB-CB 4.35Å; P251-C334 HydrophobicContact CG-CB 3.97Å
252	T	77.8	Confident	70.5	Confident	4 Å²	4	24.7 Å²	24.7	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-79.3	-33	-174.2	-42.6	0	0	0	0	112.2	W248 L249 L254 S258 S292 S335	W248-T252 PolarHBondContact O-OG1 3.17Å; L249-T252 PolarHBondContact O-N 2.64Å; T252-L254 VanDerWaalsContact C-N 3.29Å; T252-S258 WeakPolarHBondContact CG2-O 3.43Å; T252-S258 WeakPolarHBondContact O-CB 3.38Å; T252-S292 WeakPolarHBondContact CG2-OG 3.33Å; T252-S335 VanDerWaalsContact OG1-CB 3.22Å; T252-S335 WeakPolarHBondContact OG1-CB 3.3Å; T252-S335 PolarHBondContact OG1-OG 3.12Å
253	V	75.9	Confident	67.3	Low	7 Å²	7	30 Å²	30	4%	0.042	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.3	178.7	-58.5	0	0	0	0	113.6	L145 T148 V234 L249	L145-V253 HydrophobicContact CB-CG2 4.05Å; L145-V253 HydrophobicContact CD1-CG2 4.03Å; L145-V253 HydrophobicContact CD2-CG2 4.29Å; L145-V253 HydrophobicContact CG-CG2 4.35Å; T148-V253 HydrophobicContact CG2-CG1 3.96Å; V234-V253 HydrophobicContact CG1-CG1 4.21Å; L249-V253 HydrophobicContact CD1-CG1 3.85Å; L249-V253 HydrophobicContact CG-CG1 4.06Å; L249-V253 PolarHBondContact O-N 2.89Å
254	L	69.2	Low	64	Low	90 Å²	90	38.2 Å²	38.2	47%	0.471	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-28.8	179	-175.4	129.7	0	0	0	112.7	L145 T252 F277	L145-L254 HydrophobicContact CD2-CB 3.92Å; L145-L254 HydrophobicContact CD2-CD1 3.74Å; L145-L254 HydrophobicContact CD2-CG 4.28Å; T252-L254 VanDerWaalsContact C-N 3.29Å; L254-F277 HydrophobicContact CD1-CE2 4.46Å
255	G	57.2	Low	60.7	Low	21 Å²	21	41.7 Å²	41.7	22%	0.216	23%	0.232	C	C	.	.	S	Bend	trans	-97.6	144.3	-176.7	0	0	0	0	0	113.4	A257	G255-A257 PolarHBondContact O-N 3.31Å
256	E	48.9	Very low	57.5	Low	148 Å²	148	44.9 Å²	44.9	69%	0.692	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	103.8	163.7	-67.3	178.9	173.7	0	0	107.9
257	A	45.7	Very low	54.5	Low	10 Å²	10	50.3 Å²	50.3	8%	0.083	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	72.1	-179.7	0	0	0	0	0	116.2	G255 S292 V293 L329 E330	G255-A257 PolarHBondContact O-N 3.31Å; A257-S292 CarbonylContact C-O 3.48Å; A257-S292 WeakPolarHBondContact CA-O 3.29Å; A257-V293 HydrophobicContact CB-CG2 4.49Å; A257-L329 HydrophobicContact CB-CD2 4.38Å; A257-E330 PolarHBondContact O-N 3.07Å
258	S	46.1	Very low	51.9	Low	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.6	175	-63.2	0	0	0	0	112.9	T252 F291 S292 E330	T252-S258 WeakPolarHBondContact CG2-O 3.43Å; T252-S258 WeakPolarHBondContact O-CB 3.38Å; S258-F291 CarbonylContact O-C 3.56Å; S258-F291 WeakPolarHBondContact O-CA 3.35Å; S258-S292 PolarHBondContact N-O 2.97Å; S258-S292 PolarHBondContact O-N 3.22Å; S258-E330 CarbonylContact C-O 3.45Å; S258-E330 WeakPolarHBondContact CA-O 3.27Å
259	A	39.5	Very low	49.3	Very low	9 Å²	9	69.6 Å²	69.6	7%	0.074	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.7	170.6	0	0	0	0	0	111.3	I286 F291 E330 I331 H332	A259-I286 HydrophobicContact CB-CG2 3.88Å; A259-F291 HydrophobicContact CB-CB 4.49Å; A259-E330 PolarHBondContact N-O 2.87Å; A259-I331 HydrophobicContact CB-CG1 4.46Å; A259-H332 PolarHBondContact O-N 3.39Å
260	G	41.8	Very low	46.8	Very low	8 Å²	8	75.5 Å²	75.5	8%	0.082	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.1	174.2	0	0	0	0	0	111
261	I	39.8	Very low	44.5	Very low	41 Å²	41	77.3 Å²	77.3	21%	0.21	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.4	-178	-73.5	-177.2	0	0	0	111.9	I331 P333 S335	I261-I331 HydrophobicContact CB-CG2 4.45Å; I261-I331 HydrophobicContact CD1-CG2 3.51Å; I261-I331 HydrophobicContact CG1-CG2 3.08Å; I261-P333 VanDerWaalsContact CD1-CA 3.41Å; I261-P333 HydrophobicContact CD1-CB 4.31Å; I261-S335 PolarHBondContact N-O 3.16Å; I261-S335 VanDerWaalsContact N-O 3.15Å
262	Y	36.4	Very low	42.4	Very low	67 Å²	67	87.3 Å²	87.3	26%	0.263	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-73.6	123.1	158.2	-62.8	-86.9	0	0	0	109.3	F264 A287 L290 H339 F341	Y262-F264 PolarHBondContact O-N 2.65Å; Y262-A287 HydrophobicContact CD2-CB 4.32Å; Y262-A287 HydrophobicContact CE2-CB 3.31Å; Y262-A287 VanDerWaalsContact OH-CB 3.3Å; Y262-A287 WeakPolarHBondContact OH-CB 3.27Å; Y262-L290 HydrophobicContact CE1-CD1 4.28Å; Y262-L290 WeakPolarHBondContact OH-CD1 3.45Å; Y262-H339 HydrophobicContact CD1-CB 4.32Å; Y262-H339 HydrophobicContact CE1-CB 4.02Å; Y262-F341 HydrophobicContact CD1-CE1 4.34Å; Y262-F341 HydrophobicContact CD1-CE2 4.19Å; Y262-F341 AromaticContact CD1-CZ 3.49Å; Y262-F341 HydrophobicContact CD1-CZ 3.49Å; Y262-F341 VanDerWaalsContact CD1-CZ 3.49Å; Y262-F341 HydrophobicContact CE1-CE1 4.45Å; Y262-F341 AromaticContact CE1-CZ 3.99Å; Y262-F341 HydrophobicContact CE1-CZ 3.99Å; Y262-F341 HydrophobicContact CG-CZ 4.35Å
263	H	28.9	Very low	40.3	Very low	114 Å²	114	99.7 Å²	99.7	53%	0.528	49%	0.488	S	S	.	.			trans	-70.8	98.2	178	-147.9	70.7	0	0	0	110.3	Y131 H336	Y131-H263 AromaticContact CD1-CE1 3.65Å; Y131-H263 AromaticContact CE1-CE1 3.6Å; Y131-H263 AromaticContact CE1-NE2 3.59Å; H263-H336 AromaticContact ND1-ND1 3.89Å
264	F	27.7	Very low	38.6	Very low	186 Å²	186	103.2 Å²	103.2	82%	0.816	53%	0.526	S	S	*	.			trans	-106.6	131.6	152.3	-104.1	-92.2	0	0	0	107.2	Y262 G266	Y262-F264 PolarHBondContact O-N 2.65Å; F264-G266 PolarHBondContact O-N 2.89Å
265	G	24.5	Very low	37.3	Very low	73 Å²	73	104.1 Å²	104.1	75%	0.753	53%	0.53	S	S	*	.	S	Bend	trans	-55.3	131.1	-179.7	0	0	0	0	0	112.2
266	G	25.1	Very low	36.9	Very low	73 Å²	73	108.1 Å²	108.1	75%	0.753	55%	0.546	S	S	*	.			trans	95.2	59.6	151.5	0	0	0	0	0	118.7	F264	F264-G266 PolarHBondContact O-N 2.89Å
267	I	28	Very low	37.1	Very low	159 Å²	159	102.5 Å²	102.5	82%	0.815	52%	0.519	S	S	*	.			trans	-130.8	99.3	149.2	-58.3	-179.9	0	0	0	109.3
268	R	30.7	Very low	37.6	Very low	218 Å²	218	102.8 Å²	102.8	82%	0.823	52%	0.521	S	S	*	.			trans	-95.1	93	174.2	-166.1	179.2	-175.3	-172.6	1.8	108.7
269	R	36.4	Very low	38.5	Very low	203 Å²	203	104.8 Å²	104.8	77%	0.766	53%	0.534	S	S	*	.			trans	-92.3	112.9	159.1	-78.4	-171.3	-173.7	-175.5	3.7	108.3
270	L	36.4	Very low	40.3	Very low	123 Å²	123	107 Å²	107	64%	0.644	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-66.5	144.4	175.3	-70.9	165.3	0	0	0	110	R272	L270-R272 PolarHBondContact O-N 3.41Å
271	P	38.8	Very low	42.4	Very low	65 Å²	65	109.2 Å²	109.2	42%	0.422	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-62.4	137.2	175.3	-13.7	26.3	0	0	0	110.8	R273 A278	P271-R273 PolarHBondContact O-N 3Å; P271-A278 HydrophobicContact CG-CB 4.17Å
272	R	35.8	Very low	44.7	Very low	214 Å²	214	116 Å²	116	81%	0.808	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-63.2	133.4	163.9	-72.6	-176.3	175.9	171.2	-1.3	108.1	L270 G274	L270-R272 PolarHBondContact O-N 3.41Å; R272-G274 PolarHBondContact O-N 3.18Å
273	R	33.3	Very low	47.3	Very low	264 Å²	264	113.7 Å²	113.7	100%	0.996	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.7	121.8	179.1	-91.3	180	171.3	159.9	-3.1	109.9	P271	P271-R273 PolarHBondContact O-N 3Å
274	G	40.3	Very low	50.4	Low	81 Å²	81	109.7 Å²	109.7	84%	0.835	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.2	-12.3	171.6	0	0	0	0	0	116.6	R272	R272-G274 PolarHBondContact O-N 3.18Å
275	M	42.3	Very low	53.6	Low	110 Å²	110	103.2 Å²	103.2	54%	0.542	54%	0.536	S	S	.	.			trans	-88.5	134.5	175	-71.3	177.1	76.7	0	0	111.7	F277 P279	M275-F277 WeakPolarHBondContact CB-O 3.42Å; M275-F277 PolarHBondContact O-N 3.41Å; M275-P279 HydrophobicContact CE-CB 4.18Å; M275-P279 HydrophobicContact SD-CB 4.2Å
276	N	48.4	Very low	56.7	Low	104 Å²	104	100.2 Å²	100.2	56%	0.556	50%	0.503	S	S	*	.	S	Bend	trans	-66.7	-13	-179.6	-76.3	-36.2	0	0	0	113.7
277	F	53.2	Low	59.7	Low	30 Å²	30	99.5 Å²	99.5	13%	0.132	49%	0.49	C	S	.	.	S	Bend	trans	-137	160.6	172.9	-74.2	-83.1	0	0	0	110.6	Y141 P251 L254 M275	Y141-F277 AromaticContact CD1-CE2 3.85Å; Y141-F277 HydrophobicContact CD1-CE2 3.85Å; Y141-F277 HydrophobicContact CD1-CZ 4.04Å; Y141-F277 HydrophobicContact CD2-CE2 4.25Å; Y141-F277 HydrophobicContact CD2-CZ 4.1Å; Y141-F277 HydrophobicContact CE1-CE1 4.22Å; Y141-F277 AromaticContact CE1-CE2 3.57Å; Y141-F277 HydrophobicContact CE1-CE2 3.57Å; Y141-F277 AromaticContact CE1-CZ 3.33Å; Y141-F277 HydrophobicContact CE1-CZ 3.33Å; Y141-F277 HydrophobicContact CE2-CE2 4.06Å; Y141-F277 AromaticContact CE2-CZ 3.46Å; Y141-F277 HydrophobicContact CE2-CZ 3.46Å; Y141-F277 VanDerWaalsContact CE2-CZ 3.46Å; Y141-F277 HydrophobicContact CG-CE2 4.26Å; Y141-F277 HydrophobicContact CG-CZ 4.44Å; Y141-F277 AromaticContact CZ-CE1 3.93Å; Y141-F277 AromaticContact CZ-CE2 3.81Å; Y141-F277 AromaticContact CZ-CZ 3.11Å; Y141-F277 VanDerWaalsContact OH-CZ 3.23Å; Y141-F277 WeakPolarHBondContact OH-CZ 3.27Å; P251-F277 HydrophobicContact CG-CE1 4.5Å; L254-F277 HydrophobicContact CD1-CE2 4.46Å; M275-F277 WeakPolarHBondContact CB-O 3.42Å; M275-F277 PolarHBondContact O-N 3.41Å
278	A	57.3	Low	62.2	Low	16 Å²	16	92 Å²	92	13%	0.132	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-56.5	134.5	165	0	0	0	0	0	108.8	P271 V280 P333	P271-A278 HydrophobicContact CG-CB 4.17Å; A278-V280 PolarHBondContact O-N 3.29Å; A278-P333 HydrophobicContact CB-CB 4.38Å; A278-P333 HydrophobicContact CB-CG 3.63Å
279	P	64.9	Low	64.7	Low	42 Å²	42	82 Å²	82	27%	0.273	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-58.3	136.9	-176.2	23.5	-32.7	0	0	0	110.3	M275	M275-P279 HydrophobicContact CE-CB 4.18Å; M275-P279 HydrophobicContact SD-CB 4.2Å
280	V	76.9	Confident	67.4	Low	57 Å²	57	72.6 Å²	72.6	35%	0.345	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-59.7	144	171.4	-69.4	0	0	0	0	110.6	A278 E330	A278-V280 PolarHBondContact O-N 3.29Å; V280-E330 HydrophobicContact CB-CB 4.23Å; V280-E330 HydrophobicContact CG2-CG 4.45Å; V280-E330 WeakPolarHBondContact CG2-OE2 3.35Å
281	C	85	Confident	70.1	Confident	53 Å²	53	67.3 Å²	67.3	36%	0.358	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.8	176.9	-69.9	0	0	0	0	109.1	T283 E330 I331	C281-T283 PolarHBondContact O-N 3.24Å; C281-E330 CarbonylContact O-C 3.55Å; C281-E330 WeakPolarHBondContact O-CA 3.38Å; C281-I331 HydrophobicContact CB-CB 4.23Å; C281-I331 PolarHBondContact N-O 2.72Å; C281-I331 PolarHBondContact O-N 3.07Å
282	R	88.4	Confident	72.8	Confident	183 Å²	183	64.3 Å²	64.3	69%	0.691	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	136.4	170.3	-71.6	178.8	173.5	-172.8	0.8	109.8	W323 L329 E330	R282-W323 HydrophobicContact CB-CH2 4.18Å; R282-W323 HydrophobicContact CB-CZ2 4.28Å; R282-W323 HydrophobicContact CG-CH2 4.07Å; R282-L329 WeakPolarHBondContact CA-O 3.41Å; R282-E330 HydrophobicContact CG-CG 4.45Å
283	T	91.5	Very high	75.5	Confident	19 Å²	19	54.4 Å²	54.4	12%	0.117	30%	0.297	C	S	.	.			trans	-125.6	135.1	178.5	-172.9	0	0	0	0	110.7	C281 T285 I286 W323 L329 I331	C281-T283 PolarHBondContact O-N 3.24Å; T283-T285 VanDerWaalsContact C-N 3.26Å; T283-T285 VanDerWaalsContact CG2-O 3.28Å; T283-T285 WeakPolarHBondContact CG2-O 3.23Å; T283-T285 PolarHBondContact O-N 2.96Å; T283-T285 PolarHBondContact OG1-O 3.46Å; T283-I286 HydrophobicContact CG2-CG2 4.13Å; T283-W323 WeakPolarHBondContact O-CZ2 3.3Å; T283-W323 PolarHBondContact O-NE1 2.97Å; T283-L329 HydrophobicContact CG2-CB 3.86Å; T283-L329 PolarHBondContact N-O 3.48Å; T283-L329 WeakPolarHBondContact O-CB 3.42Å; T283-I331 HydrophobicContact CG2-CD1 3.96Å; T283-I331 HydrophobicContact CG2-CG1 3.75Å
284	P	94.3	Very high	78.3	Confident	30 Å²	30	45.1 Å²	45.1	20%	0.195	27%	0.267	C	S	.	.	S	Bend	trans	-59.1	-40.3	175.1	-25.5	35	0	0	0	112.4	W323 Y409 V413 Y414	P284-W323 VanDerWaalsContact O-CD1 3.28Å; P284-W323 PolarHBondContact O-NE1 2.77Å; P284-Y409 VanDerWaalsContact CB-OH 3.26Å; P284-Y409 WeakPolarHBondContact CB-OH 3.16Å; P284-Y409 PolarHBondContact O-OH 3.09Å; P284-Y409 VanDerWaalsContact O-OH 3.07Å; P284-V413 HydrophobicContact CB-CG1 4.39Å; P284-Y414 HydrophobicContact CB-CD1 4.17Å; P284-Y414 HydrophobicContact CB-CD2 4.47Å; P284-Y414 HydrophobicContact CB-CG 3.96Å; P284-Y414 HydrophobicContact CG-CD1 4.35Å; P284-Y414 HydrophobicContact CG-CD2 3.8Å; P284-Y414 HydrophobicContact CG-CE2 4.41Å; P284-Y414 HydrophobicContact CG-CG 3.77Å
285	T	94	Very high	80.9	Confident	50 Å²	50	45 Å²	45	31%	0.307	24%	0.241	S	C	.	.			trans	-138.3	157.9	-179.2	63.4	0	0	0	0	112	T283 L316 S319 F320	T283-T285 VanDerWaalsContact C-N 3.26Å; T283-T285 VanDerWaalsContact CG2-O 3.28Å; T283-T285 WeakPolarHBondContact CG2-O 3.23Å; T283-T285 PolarHBondContact O-N 2.96Å; T283-T285 PolarHBondContact OG1-O 3.46Å; T285-L316 HydrophobicContact CG2-CD2 3.83Å; T285-S319 WeakPolarHBondContact CA-OG 3.22Å; T285-F320 HydrophobicContact CG2-CE1 4.16Å
286	I	89.8	Confident	83.3	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.056	24%	0.242	C	C	.	.			trans	-104.3	155.9	169.2	62.8	170	0	0	0	110.3	A259 T283 G288 F291 N315 L318 S319 L329	A259-I286 HydrophobicContact CB-CG2 3.88Å; T283-I286 HydrophobicContact CG2-CG2 4.13Å; I286-G288 PolarHBondContact O-N 3Å; I286-F291 HydrophobicContact CD1-CB 4.45Å; I286-F291 HydrophobicContact CD1-CD1 4.06Å; I286-F291 HydrophobicContact CD1-CG 4.21Å; I286-N315 PolarHBondContact O-ND2 3.49Å; I286-L318 HydrophobicContact CD1-CD2 4.17Å; I286-S319 PolarHBondContact N-OG 3.49Å; I286-S319 VanDerWaalsContact N-OG 3.07Å; I286-L329 HydrophobicContact CG2-CB 4.33Å; I286-L329 HydrophobicContact CG2-CD1 4.14Å; I286-L329 HydrophobicContact CG2-CD2 4.12Å; I286-L329 HydrophobicContact CG2-CG 4.43Å
287	A	87.3	Confident	85.4	Confident	57 Å²	57	43.4 Å²	43.4	47%	0.471	23%	0.227	S	C	.	.			trans	-67.7	-23.6	169.6	0	0	0	0	0	112.2	Y262 G289 N315	Y262-A287 HydrophobicContact CD2-CB 4.32Å; Y262-A287 HydrophobicContact CE2-CB 3.31Å; Y262-A287 VanDerWaalsContact OH-CB 3.3Å; Y262-A287 WeakPolarHBondContact OH-CB 3.27Å; A287-G289 PolarHBondContact O-N 2.93Å; A287-N315 WeakPolarHBondContact O-CB 3.38Å
288	G	81.9	Confident	87.4	Confident	1 Å²	1	42 Å²	42	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	93.1	-24.6	172.8	0	0	0	0	0	115.2	R223 I286	R223-G288 PolarHBondContact NH1-O 3.35Å; R223-G288 PolarHBondContact NH2-O 3.24Å; I286-G288 PolarHBondContact O-N 3Å
289	G	81.7	Confident	89.2	Confident	8 Å²	8	44 Å²	44	8%	0.082	23%	0.227	C	C	.	.	S	Bend	trans	-61.2	-44.7	179.7	0	0	0	0	0	113.7	R223 D239 A287	R223-G289 VanDerWaalsContact NH2-CA 3.32Å; R223-G289 PolarHBondContact NH2-O 3.32Å; D239-G289 WeakPolarHBondContact OD2-CA 3.49Å; A287-G289 PolarHBondContact O-N 2.93Å
290	L	93.6	Very high	90.5	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	24%	0.236	C	C	.	.	S	Bend	trans	-132.7	113.7	-167.5	-63.6	83.3	0	0	0	111.8	F237 L238 V242 Y262 V337	F237-L290 WeakPolarHBondContact O-CA 3.1Å; L238-L290 HydrophobicContact CD2-CB 4.32Å; L238-L290 HydrophobicContact CD2-CD2 3.8Å; L238-L290 HydrophobicContact CD2-CG 3.98Å; V242-L290 HydrophobicContact CG1-CD1 4.3Å; V242-L290 HydrophobicContact CG1-CD2 4.07Å; V242-L290 HydrophobicContact CG1-CG 4.46Å; Y262-L290 HydrophobicContact CE1-CD1 4.28Å; Y262-L290 WeakPolarHBondContact OH-CD1 3.45Å; L290-V337 HydrophobicContact CD2-CB 3.54Å; L290-V337 HydrophobicContact CD2-CG1 3.29Å; L290-V337 HydrophobicContact CD2-CG2 4.2Å
291	F	94.2	Very high	91.3	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	155.3	174.8	65.3	-79.5	0	0	0	111.5	T236 F237 S258 A259 I286 V293 Y304 L318	T236-F291 CarbonylContact C-O 3.46Å; T236-F291 WeakPolarHBondContact CA-O 3.39Å; F237-F291 HydrophobicContact CB-CD1 4.2Å; F237-F291 HydrophobicContact CB-CE1 3.96Å; F237-F291 HydrophobicContact CB-CZ 4.39Å; F237-F291 HydrophobicContact CD2-CD1 4.29Å; F237-F291 HydrophobicContact CD2-CD2 4.1Å; F237-F291 AromaticContact CD2-CE1 3.67Å; F237-F291 HydrophobicContact CD2-CE1 3.67Å; F237-F291 AromaticContact CD2-CE2 3.46Å; F237-F291 HydrophobicContact CD2-CE2 3.46Å; F237-F291 VanDerWaalsContact CD2-CE2 3.46Å; F237-F291 HydrophobicContact CD2-CG 4.48Å; F237-F291 AromaticContact CD2-CZ 3.21Å; F237-F291 HydrophobicContact CD2-CZ 3.21Å; F237-F291 HydrophobicContact CE2-CE1 4.44Å; F237-F291 AromaticContact CE2-CE2 3.74Å; F237-F291 HydrophobicContact CE2-CE2 3.74Å; F237-F291 AromaticContact CE2-CZ 3.59Å; F237-F291 HydrophobicContact CE2-CZ 3.59Å; F237-F291 AromaticContact CG-CE1 3.99Å; F237-F291 HydrophobicContact CG-CE1 3.99Å; F237-F291 AromaticContact CG-CZ 3.95Å; F237-F291 HydrophobicContact CG-CZ 3.95Å; F237-F291 PolarHBondContact N-O 3.35Å; F237-F291 PolarHBondContact O-N 3.16Å; S258-F291 CarbonylContact O-C 3.56Å; S258-F291 WeakPolarHBondContact O-CA 3.35Å; A259-F291 HydrophobicContact CB-CB 4.49Å; I286-F291 HydrophobicContact CD1-CB 4.45Å; I286-F291 HydrophobicContact CD1-CD1 4.06Å; I286-F291 HydrophobicContact CD1-CG 4.21Å; F291-V293 HydrophobicContact CD2-CB 4.26Å; F291-V293 HydrophobicContact CD2-CG1 4.23Å; F291-V293 HydrophobicContact CE2-CB 4.28Å; F291-V293 HydrophobicContact CE2-CG1 3.85Å; F291-Y304 WeakPolarHBondContact CE1-OH 3.49Å; F291-Y304 WeakPolarHBondContact CZ-OH 3.47Å; F291-L318 HydrophobicContact CE1-CD2 4.35Å; F291-L318 HydrophobicContact CE2-CD2 3.97Å; F291-L318 HydrophobicContact CZ-CD2 3.77Å
292	S	94.1	Very high	91.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.3	166.8	-53.8	0	0	0	0	111.1	L235 T236 T252 A257 S258	L235-S292 CarbonylContact O-C 3.59Å; L235-S292 WeakPolarHBondContact O-CA 3.36Å; T236-S292 WeakPolarHBondContact CB-OG 3.49Å; T236-S292 WeakPolarHBondContact CG2-OG 3.44Å; T236-S292 PolarHBondContact OG1-OG 2.69Å; T252-S292 WeakPolarHBondContact CG2-OG 3.33Å; A257-S292 CarbonylContact C-O 3.48Å; A257-S292 WeakPolarHBondContact CA-O 3.29Å; S258-S292 PolarHBondContact N-O 2.97Å; S258-S292 PolarHBondContact O-N 3.22Å
293	V	92.8	Very high	92.2	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.9	-178.9	62.6	0	0	0	0	109.9	V234 L235 F237 A257 F291 R295 Y297 F298	V234-V293 WeakPolarHBondContact CA-O 3.47Å; V234-V293 WeakPolarHBondContact CG1-O 3.36Å; L235-V293 HydrophobicContact CB-CG1 4.07Å; L235-V293 PolarHBondContact N-O 3.15Å; L235-V293 PolarHBondContact O-N 3.16Å; F237-V293 HydrophobicContact CE2-CG1 4.27Å; A257-V293 HydrophobicContact CB-CG2 4.49Å; F291-V293 HydrophobicContact CD2-CB 4.26Å; F291-V293 HydrophobicContact CD2-CG1 4.23Å; F291-V293 HydrophobicContact CE2-CB 4.28Å; F291-V293 HydrophobicContact CE2-CG1 3.85Å; V293-R295 PolarHBondContact O-N 2.96Å; V293-Y297 HydrophobicContact CG2-CD1 3.78Å; V293-Y297 HydrophobicContact CG2-CE1 4.44Å; V293-F298 HydrophobicContact CG1-CB 3.87Å; V293-F298 HydrophobicContact CG1-CD2 3.89Å; V293-F298 HydrophobicContact CG1-CG 4.09Å; V293-F298 HydrophobicContact CG2-CB 4.14Å
294	D	93.4	Very high	92.4	Very high	68 Å²	68	33 Å²	33	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	131.3	169.3	177.1	-86.7	0	0	0	109.5	Q296 Y297 F298	D294-Q296 PolarHBondContact O-N 3.49Å; D294-Q296 WeakPolarHBondContact OD1-CA 3.46Å; D294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; D294-Q296 PolarHBondContact OD1-N 3.27Å; D294-Y297 PolarHBondContact O-N 3.11Å; D294-Y297 PolarHBondContact OD1-N 2.98Å; D294-F298 WeakPolarHBondContact O-CB 3.49Å; D294-F298 PolarHBondContact O-N 3.44Å
295	R	93.5	Very high	92.6	Very high	78 Å²	78	32 Å²	32	29%	0.294	17%	0.171	S	C	.	.	H	α-helix	trans	-64.2	-42.4	-173.1	179.8	178.6	164.9	-154	-2.3	111.4	A230 K231 G232 K233 L235 V293 F298 F299	A230-R295 PolarHBondContact O-NE 2.92Å; A230-R295 PolarHBondContact O-NH1 3.09Å; A230-R295 PolarHBondContact O-NH2 2.88Å; K231-R295 PolarHBondContact O-NH1 3.14Å; G232-R295 WeakPolarHBondContact O-CD 3.32Å; K233-R295 WeakPolarHBondContact O-CB 3.28Å; K233-R295 PolarHBondContact O-N 3.24Å; L235-R295 HydrophobicContact CD1-CB 4.32Å; L235-R295 HydrophobicContact CD1-CG 4.1Å; L235-R295 HydrophobicContact CD2-CB 4.39Å; L235-R295 HydrophobicContact CD2-CG 4.11Å; L235-R295 HydrophobicContact CG-CB 3.9Å; L235-R295 HydrophobicContact CG-CG 3.98Å; V293-R295 PolarHBondContact O-N 2.96Å; R295-F298 PolarHBondContact O-N 2.96Å; R295-F299 HydrophobicContact CG-CD2 4.18Å; R295-F299 HydrophobicContact CG-CE2 3.94Å; R295-F299 WeakPolarHBondContact O-CD2 3.44Å; R295-F299 PolarHBondContact O-N 3.02Å
296	Q	92.7	Very high	92.6	Very high	120 Å²	120	36.4 Å²	36.4	56%	0.561	19%	0.189	S	C	*	.	H	α-helix	trans	-67.4	-48.4	-179.1	-174.3	59.7	53.7	0	0	109.4	D294 F298 F299 D300	D294-Q296 PolarHBondContact O-N 3.49Å; D294-Q296 WeakPolarHBondContact OD1-CA 3.46Å; D294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; D294-Q296 PolarHBondContact OD1-N 3.27Å; Q296-F298 VanDerWaalsContact C-N 3.29Å; Q296-F298 PolarHBondContact O-N 2.89Å; Q296-F299 PolarHBondContact O-N 3.03Å; Q296-F299 VanDerWaalsContact O-N 3.07Å; Q296-D300 WeakPolarHBondContact CG-OD2 3.42Å; Q296-D300 PolarHBondContact NE2-OD1 3.25Å; Q296-D300 PolarHBondContact O-N 2.73Å
297	Y	93.7	Very high	92.8	Very high	62 Å²	62	37.4 Å²	37.4	24%	0.243	20%	0.202	C	C	.	.	H	α-helix	trans	-53.8	-46	175.2	178.9	-104.1	0	0	0	111.9	V293 D294 F299 D300 I301 G327	V293-Y297 HydrophobicContact CG2-CD1 3.78Å; V293-Y297 HydrophobicContact CG2-CE1 4.44Å; D294-Y297 PolarHBondContact O-N 3.11Å; D294-Y297 PolarHBondContact OD1-N 2.98Å; Y297-F299 VanDerWaalsContact C-N 3.28Å; Y297-F299 PolarHBondContact O-N 3.23Å; Y297-D300 PolarHBondContact O-N 2.84Å; Y297-D300 VanDerWaalsContact O-N 3.16Å; Y297-I301 HydrophobicContact CD1-CD1 4.45Å; Y297-I301 HydrophobicContact CD2-CG2 4.05Å; Y297-I301 HydrophobicContact CE1-CD1 3.84Å; Y297-I301 HydrophobicContact CE1-CG1 4.4Å; Y297-I301 HydrophobicContact CE1-CG2 4.21Å; Y297-I301 HydrophobicContact CE2-CG2 3.52Å; Y297-I301 WeakPolarHBondContact O-CG1 3.28Å; Y297-I301 PolarHBondContact O-N 2.76Å; Y297-G327 WeakPolarHBondContact OH-CA 3.44Å
298	F	94.1	Very high	93.2	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-54.4	-43.1	178.3	-179.3	-105.5	0	0	0	112.3	A227 L235 F237 V293 D294 R295 Q296 A303 Y304	A227-F298 HydrophobicContact CB-CD1 4.41Å; A227-F298 HydrophobicContact CB-CE1 4Å; L235-F298 HydrophobicContact CD1-CB 4.23Å; L235-F298 HydrophobicContact CD1-CD1 3.75Å; L235-F298 HydrophobicContact CD1-CE1 4.37Å; L235-F298 HydrophobicContact CD1-CG 4.09Å; F237-F298 HydrophobicContact CE2-CE2 4.4Å; F237-F298 HydrophobicContact CE2-CZ 4.45Å; F237-F298 HydrophobicContact CZ-CE1 4.38Å; F237-F298 HydrophobicContact CZ-CZ 4.17Å; V293-F298 HydrophobicContact CG1-CB 3.87Å; V293-F298 HydrophobicContact CG1-CD2 3.89Å; V293-F298 HydrophobicContact CG1-CG 4.09Å; V293-F298 HydrophobicContact CG2-CB 4.14Å; D294-F298 WeakPolarHBondContact O-CB 3.49Å; D294-F298 PolarHBondContact O-N 3.44Å; R295-F298 PolarHBondContact O-N 2.96Å; Q296-F298 VanDerWaalsContact C-N 3.29Å; Q296-F298 PolarHBondContact O-N 2.89Å; F298-A303 HydrophobicContact CD1-CB 4.09Å; F298-A303 HydrophobicContact CE1-CB 3.58Å; F298-A303 HydrophobicContact CZ-CB 3.97Å; F298-A303 WeakPolarHBondContact O-CA 3.21Å; F298-A303 PolarHBondContact O-N 3.15Å; F298-Y304 HydrophobicContact CE2-CD2 4.43Å; F298-Y304 HydrophobicContact CE2-CE2 4.4Å; F298-Y304 AromaticContact CZ-CD2 3.89Å; F298-Y304 HydrophobicContact CZ-CD2 3.89Å; F298-Y304 HydrophobicContact CZ-CE2 4.13Å
299	F	96.1	Very high	93.7	Very high	58 Å²	58	41.1 Å²	41.1	25%	0.254	21%	0.207	S	C	.	.	H	α-helix	trans	-77.3	-36	177.4	-71.8	-66.1	0	0	0	113.1	A227 L228 R295 Q296 Y297 I301 G302 A303	A227-F299 HydrophobicContact CB-CZ 3.87Å; L228-F299 HydrophobicContact CD2-CE1 3.66Å; L228-F299 HydrophobicContact CD2-CZ 3.77Å; L228-F299 HydrophobicContact CG-CE1 4.15Å; L228-F299 HydrophobicContact CG-CZ 4.11Å; R295-F299 HydrophobicContact CG-CD2 4.18Å; R295-F299 HydrophobicContact CG-CE2 3.94Å; R295-F299 WeakPolarHBondContact O-CD2 3.44Å; R295-F299 PolarHBondContact O-N 3.02Å; Q296-F299 PolarHBondContact O-N 3.03Å; Q296-F299 VanDerWaalsContact O-N 3.07Å; Y297-F299 VanDerWaalsContact C-N 3.28Å; Y297-F299 PolarHBondContact O-N 3.23Å; F299-I301 VanDerWaalsContact C-N 3.33Å; F299-I301 PolarHBondContact O-N 3.27Å; F299-G302 WeakPolarHBondContact O-CA 3.08Å; F299-G302 PolarHBondContact O-N 3.4Å; F299-A303 HydrophobicContact CD1-CB 4.02Å; F299-A303 HydrophobicContact CE1-CB 4.25Å
300	D	92.7	Very high	94	Very high	86 Å²	86	41.7 Å²	41.7	46%	0.46	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-41.2	179.4	-70.2	-15.6	0	0	0	111.9	Q296 Y297 G302	Q296-D300 WeakPolarHBondContact CG-OD2 3.42Å; Q296-D300 PolarHBondContact NE2-OD1 3.25Å; Q296-D300 PolarHBondContact O-N 2.73Å; Y297-D300 PolarHBondContact O-N 2.84Å; Y297-D300 VanDerWaalsContact O-N 3.16Å; D300-G302 PolarHBondContact O-N 2.9Å
301	I	93.4	Very high	93.8	Very high	9 Å²	9	46.7 Å²	46.7	5%	0.046	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	3.8	173.8	69	162.1	0	0	0	112.8	Y297 F299 L318 R321 V322	Y297-I301 HydrophobicContact CD1-CD1 4.45Å; Y297-I301 HydrophobicContact CD2-CG2 4.05Å; Y297-I301 HydrophobicContact CE1-CD1 3.84Å; Y297-I301 HydrophobicContact CE1-CG1 4.4Å; Y297-I301 HydrophobicContact CE1-CG2 4.21Å; Y297-I301 HydrophobicContact CE2-CG2 3.52Å; Y297-I301 WeakPolarHBondContact O-CG1 3.28Å; Y297-I301 PolarHBondContact O-N 2.76Å; F299-I301 VanDerWaalsContact C-N 3.33Å; F299-I301 PolarHBondContact O-N 3.27Å; I301-L318 HydrophobicContact CD1-CD1 4.15Å; I301-R321 VanDerWaalsContact O-CD 3.31Å; I301-R321 WeakPolarHBondContact O-CD 3.26Å; I301-R321 PolarHBondContact O-NH1 3.02Å; I301-V322 HydrophobicContact CD1-CG2 3.72Å
302	G	95.5	Very high	93.6	Very high	18 Å²	18	46.2 Å²	46.2	19%	0.186	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	35.5	174.6	0	0	0	0	0	115.6	F299 D300 Y304 R394	F299-G302 WeakPolarHBondContact O-CA 3.08Å; F299-G302 PolarHBondContact O-N 3.4Å; D300-G302 PolarHBondContact O-N 2.9Å; G302-Y304 PolarHBondContact O-N 3.32Å; G302-R394 PolarHBondContact O-NH1 3.31Å
303	A	95.5	Very high	93.6	Very high	8 Å²	8	46.8 Å²	46.8	7%	0.066	23%	0.23	C	C	.	.	S	Bend	trans	47.5	-124.5	170.2	0	0	0	0	0	113.5	F298 F299 R321	F298-A303 HydrophobicContact CD1-CB 4.09Å; F298-A303 HydrophobicContact CE1-CB 3.58Å; F298-A303 HydrophobicContact CZ-CB 3.97Å; F298-A303 WeakPolarHBondContact O-CA 3.21Å; F298-A303 PolarHBondContact O-N 3.15Å; F299-A303 HydrophobicContact CD1-CB 4.02Å; F299-A303 HydrophobicContact CE1-CB 4.25Å; A303-R321 PolarHBondContact O-NH1 2.96Å; A303-R321 PolarHBondContact O-NH2 2.81Å
304	Y	96.6	Very high	93.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	23%	0.228	C	C	.	.	S	Bend	trans	-104	161.9	164	-80.5	-66.6	0	0	0	110.2	I220 R223 I224 F291 F298 G302 E306 E314 L318	I220-Y304 HydrophobicContact CG2-CD2 4.34Å; I220-Y304 HydrophobicContact CG2-CG 3.93Å; R223-Y304 HydrophobicContact CB-CD2 4.37Å; R223-Y304 HydrophobicContact CB-CE2 4.09Å; R223-Y304 PolarHBondContact NH1-OH 2.73Å; I224-Y304 HydrophobicContact CG1-CD2 4.32Å; F291-Y304 WeakPolarHBondContact CE1-OH 3.49Å; F291-Y304 WeakPolarHBondContact CZ-OH 3.47Å; F298-Y304 HydrophobicContact CE2-CD2 4.43Å; F298-Y304 HydrophobicContact CE2-CE2 4.4Å; F298-Y304 AromaticContact CZ-CD2 3.89Å; F298-Y304 HydrophobicContact CZ-CD2 3.89Å; F298-Y304 HydrophobicContact CZ-CE2 4.13Å; G302-Y304 PolarHBondContact O-N 3.32Å; Y304-E306 PolarHBondContact O-N 3.03Å; Y304-E306 VanDerWaalsContact O-N 3.14Å; Y304-E314 HydrophobicContact CD1-CB 4.06Å; Y304-E314 HydrophobicContact CD1-CG 4.46Å; Y304-E314 HydrophobicContact CE1-CB 3.92Å; Y304-E314 HydrophobicContact CE1-CG 3.89Å; Y304-L318 HydrophobicContact CE1-CB 4.11Å; Y304-L318 HydrophobicContact CE1-CD2 3.97Å
305	D	97.3	Very high	93.8	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.043	22%	0.219	C	C	.	.			trans	-69.9	104.2	168.1	179.7	12.1	0	0	0	110.6	G307 M308 R363 R394	D305-G307 PolarHBondContact O-N 2.66Å; D305-G307 VanDerWaalsContact O-N 3.09Å; D305-G307 PolarHBondContact OD1-N 3.46Å; D305-M308 HydrophobicContact CB-CG 3.98Å; D305-M308 HydrophobicContact CB-SD 4.24Å; D305-M308 WeakPolarHBondContact O-CB 3.48Å; D305-M308 PolarHBondContact O-N 3.18Å; D305-R363 IonicContact OD1-CZ 3.28Å; D305-R363 IonicContact OD1-NE 3.05Å; D305-R363 IonicContact OD1-NH2 3.01Å; D305-R363 PolarHBondContact OD1-NH2 3.23Å; D305-R363 IonicContact OD2-CZ 2.88Å; D305-R363 VanDerWaalsContact OD2-CZ 3.28Å; D305-R363 IonicContact OD2-NE 3.62Å; D305-R363 PolarHBondContact OD2-NE 2.89Å; D305-R363 IonicContact OD2-NH2 3.62Å; D305-R363 PolarHBondContact OD2-NH2 3.1Å; D305-R394 HydrophobicContact CB-CG 4.26Å; D305-R394 WeakPolarHBondContact OD1-CD 3.32Å
306	E	95	Very high	93.9	Very high	143 Å²	143	44.1 Å²	44.1	67%	0.668	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.1	177.3	-70.2	176	-169.6	0	0	113.9	I224 Y304 M308	I224-E306 HydrophobicContact CD1-CG 3.66Å; Y304-E306 PolarHBondContact O-N 3.03Å; Y304-E306 VanDerWaalsContact O-N 3.14Å; E306-M308 VanDerWaalsContact C-N 3.27Å; E306-M308 PolarHBondContact O-N 2.86Å
307	G	95	Very high	94.1	Very high	32 Å²	32	38.5 Å²	38.5	33%	0.33	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.7	174.6	0	0	0	0	0	114.2	D305	D305-G307 PolarHBondContact O-N 2.66Å; D305-G307 VanDerWaalsContact O-N 3.09Å; D305-G307 PolarHBondContact OD1-N 3.46Å
308	M	94.6	Very high	94.2	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.015	18%	0.184	C	C	.	.			trans	-77.9	139.3	174.9	-67.7	-176	158.1	0	0	111.7	I220 D305 E306 E314 E317 N360 V364	I220-M308 HydrophobicContact CD1-CB 3.28Å; I220-M308 HydrophobicContact CD1-CG 4.28Å; I220-M308 HydrophobicContact CD1-SD 4.05Å; D305-M308 HydrophobicContact CB-CG 3.98Å; D305-M308 HydrophobicContact CB-SD 4.24Å; D305-M308 WeakPolarHBondContact O-CB 3.48Å; D305-M308 PolarHBondContact O-N 3.18Å; E306-M308 VanDerWaalsContact C-N 3.27Å; E306-M308 PolarHBondContact O-N 2.86Å; M308-E314 HydrophobicContact SD-CB 3.9Å; M308-E317 HydrophobicContact CE-CB 3.66Å; M308-E317 HydrophobicContact CE-CG 3.8Å; M308-E317 HydrophobicContact SD-CB 4.46Å; M308-N360 WeakPolarHBondContact CA-OD1 3.17Å; M308-N360 HydrophobicContact CE-CB 4.44Å; M308-N360 HydrophobicContact CG-CB 4.3Å; M308-V364 HydrophobicContact CE-CG2 3.27Å
309	K	91.9	Very high	94.3	Very high	132 Å²	132	35.8 Å²	35.8	57%	0.574	18%	0.184	S	C	*	.			trans	-105	139	-173.8	-62.3	175.3	-176	172.4	0	110.9	W311 V356 N360	K309-W311 VanDerWaalsContact C-N 3.32Å; K309-W311 PolarHBondContact O-N 2.96Å; K309-V356 HydrophobicContact CB-CG1 4.14Å; K309-V356 HydrophobicContact CB-CG2 4.5Å; K309-V356 WeakPolarHBondContact O-CG1 3.45Å; K309-N360 PolarHBondContact N-OD1 2.72Å; K309-N360 PolarHBondContact O-ND2 2.85Å
310	I	88.3	Confident	94.4	Very high	20 Å²	20	34 Å²	34	10%	0.103	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	53.4	-79.1	170.2	-50.3	-178.7	0	0	0	114.8	L219 F349 V350 V356	L219-I310 WeakPolarHBondContact CB-O 3.14Å; L219-I310 PolarHBondContact N-O 3.41Å; I310-F349 HydrophobicContact CB-CD1 4.33Å; I310-F349 HydrophobicContact CD1-CB 4.41Å; I310-F349 HydrophobicContact CD1-CD1 4.27Å; I310-F349 HydrophobicContact CG2-CD1 4.04Å; I310-F349 HydrophobicContact CG2-CE1 4.05Å; I310-V350 HydrophobicContact CD1-CB 4.27Å; I310-V350 HydrophobicContact CD1-CG2 4.46Å; I310-V356 HydrophobicContact CB-CG1 4.1Å; I310-V356 HydrophobicContact CD1-CG2 4.3Å
311	W	90	Very high	94.6	Very high	112 Å²	112	29.9 Å²	29.9	42%	0.424	15%	0.154	S	C	.	.	S	Bend	trans	-160.1	147.5	-173.1	-179.3	84	0	0	0	110.9	K309 F349 I357 N360	K309-W311 VanDerWaalsContact C-N 3.32Å; K309-W311 PolarHBondContact O-N 2.96Å; W311-F349 HydrophobicContact CB-CE1 4.3Å; W311-F349 HydrophobicContact CE3-CZ 4.48Å; W311-I357 HydrophobicContact CE3-CG1 4.46Å; W311-I357 HydrophobicContact CZ3-CD1 4.3Å; W311-N360 PolarHBondContact O-ND2 3.39Å
312	G	90.1	Very high	94.7	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	117.7	135.3	167.5	0	0	0	0	0	112.2	E314 N360	G312-E314 VanDerWaalsContact CA-OE2 3.28Å; G312-E314 WeakPolarHBondContact CA-OE2 3.43Å; G312-E314 PolarHBondContact N-OE2 3.42Å; G312-E314 PolarHBondContact O-N 2.99Å; G312-E314 VanDerWaalsContact O-N 3.1Å; G312-N360 WeakPolarHBondContact O-CB 3.49Å; G312-N360 PolarHBondContact O-ND2 3.06Å
313	A	93.9	Very high	94.7	Very high	14 Å²	14	29.5 Å²	29.5	12%	0.116	15%	0.147	C	C	.	.	S	Bend	trans	63.8	-1.7	178.5	0	0	0	0	0	116.2	N315 L316 E317 N360 A361 V364	A313-N315 PolarHBondContact O-N 2.89Å; A313-L316 PolarHBondContact O-N 3.48Å; A313-E317 PolarHBondContact O-N 2.94Å; A313-N360 HydrophobicContact CB-CB 4.36Å; A313-A361 HydrophobicContact CB-CB 4.25Å; A313-V364 HydrophobicContact CB-CG2 3.98Å
314	E	95.2	Very high	94.8	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-31.8	176.6	78.3	-68.4	164.2	0	0	112.1	I220 Y304 M308 G312 L318	I220-E314 HydrophobicContact CD1-CB 3.75Å; I220-E314 HydrophobicContact CD1-CG 4.33Å; I220-E314 HydrophobicContact CG1-CB 3.94Å; I220-E314 HydrophobicContact CG1-CG 4.06Å; Y304-E314 HydrophobicContact CD1-CB 4.06Å; Y304-E314 HydrophobicContact CD1-CG 4.46Å; Y304-E314 HydrophobicContact CE1-CB 3.92Å; Y304-E314 HydrophobicContact CE1-CG 3.89Å; M308-E314 HydrophobicContact SD-CB 3.9Å; G312-E314 VanDerWaalsContact CA-OE2 3.28Å; G312-E314 WeakPolarHBondContact CA-OE2 3.43Å; G312-E314 PolarHBondContact N-OE2 3.42Å; G312-E314 PolarHBondContact O-N 2.99Å; G312-E314 VanDerWaalsContact O-N 3.1Å; E314-L318 WeakPolarHBondContact O-CB 3.49Å; E314-L318 PolarHBondContact O-N 3.11Å
315	N	93.9	Very high	94.8	Very high	29 Å²	29	30.3 Å²	30.3	16%	0.155	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-39.4	175.9	69.1	-56.2	0	0	0	111.5	I286 A287 A313 S319	I286-N315 PolarHBondContact O-ND2 3.49Å; A287-N315 WeakPolarHBondContact O-CB 3.38Å; A313-N315 PolarHBondContact O-N 2.89Å; N315-S319 VanDerWaalsContact O-CB 3.3Å; N315-S319 WeakPolarHBondContact O-CB 3.37Å; N315-S319 PolarHBondContact O-N 2.8Å; N315-S319 PolarHBondContact O-OG 3.17Å
316	L	96.5	Very high	94.4	Very high	64 Å²	64	33 Å²	33	34%	0.335	18%	0.181	S	C	.	.	H	α-helix	trans	-70.9	-44	175.8	-63.9	178.2	0	0	0	111.2	T285 A313 L318 S319 F320	T285-L316 HydrophobicContact CG2-CD2 3.83Å; A313-L316 PolarHBondContact O-N 3.48Å; L316-L318 PolarHBondContact O-N 3.24Å; L316-S319 PolarHBondContact O-N 3.36Å; L316-F320 HydrophobicContact CB-CE2 4.1Å; L316-F320 HydrophobicContact CB-CZ 4.38Å; L316-F320 HydrophobicContact CD2-CZ 4.47Å; L316-F320 WeakPolarHBondContact O-CD2 3.46Å; L316-F320 VanDerWaalsContact O-CG 3.27Å; L316-F320 WeakPolarHBondContact O-CG 3.42Å; L316-F320 PolarHBondContact O-N 3.22Å
317	E	97.7	Very high	94.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-51.3	175.9	-164.8	-81.5	159.4	0	0	111.6	M308 A313 S319 F320 R321 V364 W368 R394	M308-E317 HydrophobicContact CE-CB 3.66Å; M308-E317 HydrophobicContact CE-CG 3.8Å; M308-E317 HydrophobicContact SD-CB 4.46Å; A313-E317 PolarHBondContact O-N 2.94Å; E317-S319 VanDerWaalsContact C-N 3.28Å; E317-S319 PolarHBondContact O-N 2.87Å; E317-F320 PolarHBondContact O-N 3Å; E317-R321 VanDerWaalsContact O-CB 3.24Å; E317-R321 WeakPolarHBondContact O-CB 3.37Å; E317-R321 PolarHBondContact O-N 3.36Å; E317-R321 IonicContact OE1-CZ 2.82Å; E317-R321 IonicContact OE1-NE 3.62Å; E317-R321 PolarHBondContact OE1-NE 3.07Å; E317-R321 VanDerWaalsContact OE1-NE 3.11Å; E317-R321 IonicContact OE1-NH2 2.73Å; E317-R321 IonicContact OE2-CZ 3.62Å; E317-R321 IonicContact OE2-NE 2.8Å; E317-R321 PolarHBondContact OE2-NE 3.18Å; E317-R321 IonicContact OE2-NH2 2.79Å; E317-R321 PolarHBondContact OE2-NH2 2.86Å; E317-V364 HydrophobicContact CB-CG1 4.48Å; E317-V364 HydrophobicContact CB-CG2 3.7Å; E317-V364 HydrophobicContact CG-CG2 4.13Å; E317-W368 PolarHBondContact OE1-NE1 3.41Å; E317-W368 VanDerWaalsContact OE1-NE1 3.11Å; E317-R394 IonicContact OE1-CZ 3.87Å; E317-R394 IonicContact OE1-NE 3.44Å; E317-R394 IonicContact OE1-NH2 3.76Å; E317-R394 PolarHBondContact OE1-NH2 2.91Å; E317-R394 IonicContact OE2-NH2 2.79Å
318	L	95.9	Very high	93.9	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-40.8	178.4	-179.1	61.7	0	0	0	110.5	I286 F291 I301 Y304 E314 L316 R321 V322	I286-L318 HydrophobicContact CD1-CD2 4.17Å; F291-L318 HydrophobicContact CE1-CD2 4.35Å; F291-L318 HydrophobicContact CE2-CD2 3.97Å; F291-L318 HydrophobicContact CZ-CD2 3.77Å; I301-L318 HydrophobicContact CD1-CD1 4.15Å; Y304-L318 HydrophobicContact CE1-CB 4.11Å; Y304-L318 HydrophobicContact CE1-CD2 3.97Å; E314-L318 WeakPolarHBondContact O-CB 3.49Å; E314-L318 PolarHBondContact O-N 3.11Å; L316-L318 PolarHBondContact O-N 3.24Å; L318-R321 PolarHBondContact O-N 3.06Å; L318-V322 HydrophobicContact CD1-CG2 3.93Å; L318-V322 HydrophobicContact CG-CG2 4.3Å; L318-V322 WeakPolarHBondContact O-CB 3.45Å; L318-V322 VanDerWaalsContact O-CG2 3.23Å; L318-V322 WeakPolarHBondContact O-CG2 3.28Å; L318-V322 PolarHBondContact O-N 3.27Å
319	S	96.3	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-50.9	-179.7	-60.4	0	0	0	0	112.4	T285 I286 N315 L316 E317 R321 V322 W323 L329	T285-S319 WeakPolarHBondContact CA-OG 3.22Å; I286-S319 PolarHBondContact N-OG 3.49Å; I286-S319 VanDerWaalsContact N-OG 3.07Å; N315-S319 VanDerWaalsContact O-CB 3.3Å; N315-S319 WeakPolarHBondContact O-CB 3.37Å; N315-S319 PolarHBondContact O-N 2.8Å; N315-S319 PolarHBondContact O-OG 3.17Å; L316-S319 PolarHBondContact O-N 3.36Å; E317-S319 VanDerWaalsContact C-N 3.28Å; E317-S319 PolarHBondContact O-N 2.87Å; S319-R321 VanDerWaalsContact C-N 3.32Å; S319-R321 PolarHBondContact O-N 3.41Å; S319-V322 PolarHBondContact O-N 2.69Å; S319-W323 PolarHBondContact O-N 3.08Å; S319-W323 VanDerWaalsContact O-N 3.16Å; S319-L329 VanDerWaalsContact CA-CD1 3.41Å; S319-L329 VanDerWaalsContact CB-CD1 3.46Å
320	F	97.4	Very high	93.4	Very high	20 Å²	20	21.4 Å²	21.4	9%	0.088	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-41	179.2	-60.3	-28.9	0	0	0	111.3	T285 L316 E317 T324 V364 W368 L369 F406 Y409	T285-F320 HydrophobicContact CG2-CE1 4.16Å; L316-F320 HydrophobicContact CB-CE2 4.1Å; L316-F320 HydrophobicContact CB-CZ 4.38Å; L316-F320 HydrophobicContact CD2-CZ 4.47Å; L316-F320 WeakPolarHBondContact O-CD2 3.46Å; L316-F320 VanDerWaalsContact O-CG 3.27Å; L316-F320 WeakPolarHBondContact O-CG 3.42Å; L316-F320 PolarHBondContact O-N 3.22Å; E317-F320 PolarHBondContact O-N 3Å; F320-T324 VanDerWaalsContact O-CB 3.3Å; F320-T324 WeakPolarHBondContact O-CB 3.29Å; F320-T324 VanDerWaalsContact O-CG2 3.29Å; F320-T324 WeakPolarHBondContact O-CG2 3.43Å; F320-T324 PolarHBondContact O-N 3.19Å; F320-T324 PolarHBondContact O-OG1 3.39Å; F320-V364 HydrophobicContact CD2-CG1 3.65Å; F320-V364 HydrophobicContact CE2-CG1 3.79Å; F320-W368 HydrophobicContact CB-CB 4.07Å; F320-W368 HydrophobicContact CB-CG 4.23Å; F320-W368 HydrophobicContact CD2-CB 4.13Å; F320-L369 HydrophobicContact CD2-CD2 4.15Å; F320-L369 HydrophobicContact CE2-CD2 3.73Å; F320-L369 HydrophobicContact CZ-CD2 4.24Å; F320-F406 AromaticContact CD1-CE2 3.91Å; F320-F406 HydrophobicContact CD1-CE2 3.91Å; F320-F406 HydrophobicContact CD2-CE2 4.32Å; F320-F406 AromaticContact CE1-CE2 3.92Å; F320-F406 HydrophobicContact CE1-CE2 3.92Å; F320-F406 HydrophobicContact CE1-CZ 4.26Å; F320-F406 HydrophobicContact CE2-CE2 4.33Å; F320-F406 HydrophobicContact CG-CE2 4.12Å; F320-F406 HydrophobicContact CZ-CE2 4.14Å; F320-F406 HydrophobicContact CZ-CZ 4.3Å; F320-Y409 HydrophobicContact CD1-CE1 4.18Å; F320-Y409 HydrophobicContact CD1-CE2 4.07Å; F320-Y409 AromaticContact CD1-CZ 3.81Å; F320-Y409 HydrophobicContact CE1-CE1 4.01Å; F320-Y409 AromaticContact CE1-CZ 3.85Å
321	R	96.8	Very high	93.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-49.5	177.1	177.1	159.3	43.3	97	9.5	112.3	I301 A303 E317 L318 S319 W323 T324 C325 W368	I301-R321 VanDerWaalsContact O-CD 3.31Å; I301-R321 WeakPolarHBondContact O-CD 3.26Å; I301-R321 PolarHBondContact O-NH1 3.02Å; A303-R321 PolarHBondContact O-NH1 2.96Å; A303-R321 PolarHBondContact O-NH2 2.81Å; E317-R321 VanDerWaalsContact O-CB 3.24Å; E317-R321 WeakPolarHBondContact O-CB 3.37Å; E317-R321 PolarHBondContact O-N 3.36Å; E317-R321 IonicContact OE1-CZ 2.82Å; E317-R321 IonicContact OE1-NE 3.62Å; E317-R321 PolarHBondContact OE1-NE 3.07Å; E317-R321 VanDerWaalsContact OE1-NE 3.11Å; E317-R321 IonicContact OE1-NH2 2.73Å; E317-R321 IonicContact OE2-CZ 3.62Å; E317-R321 IonicContact OE2-NE 2.8Å; E317-R321 PolarHBondContact OE2-NE 3.18Å; E317-R321 IonicContact OE2-NH2 2.79Å; E317-R321 PolarHBondContact OE2-NH2 2.86Å; L318-R321 PolarHBondContact O-N 3.06Å; S319-R321 VanDerWaalsContact C-N 3.32Å; S319-R321 PolarHBondContact O-N 3.41Å; R321-W323 VanDerWaalsContact C-N 3.34Å; R321-W323 PolarHBondContact O-N 2.9Å; R321-T324 PolarHBondContact O-N 2.61Å; R321-C325 WeakPolarHBondContact O-CB 3.33Å; R321-C325 PolarHBondContact O-N 2.99Å; R321-C325 PolarHBondContact O-SG 3.32Å; R321-W368 HydrophobicContact CB-CH2 3.62Å; R321-W368 HydrophobicContact CB-CZ2 3.58Å; R321-W368 HydrophobicContact CB-CZ3 4.09Å; R321-W368 HydrophobicContact CG-CH2 3.52Å; R321-W368 HydrophobicContact CG-CZ2 3.72Å; R321-W368 HydrophobicContact CG-CZ3 4.3Å
322	V	95.9	Very high	93.1	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-56.3	-50.8	179.9	167.6	0	0	0	0	110.3	I301 L318 S319 G326 G327 S328 L329	I301-V322 HydrophobicContact CD1-CG2 3.72Å; L318-V322 HydrophobicContact CD1-CG2 3.93Å; L318-V322 HydrophobicContact CG-CG2 4.3Å; L318-V322 WeakPolarHBondContact O-CB 3.45Å; L318-V322 VanDerWaalsContact O-CG2 3.23Å; L318-V322 WeakPolarHBondContact O-CG2 3.28Å; L318-V322 PolarHBondContact O-N 3.27Å; S319-V322 PolarHBondContact O-N 2.69Å; V322-G326 PolarHBondContact O-N 2.87Å; V322-G327 CarbonylContact O-C 3.45Å; V322-G327 WeakPolarHBondContact O-CA 3.47Å; V322-G327 PolarHBondContact O-N 3.29Å; V322-S328 WeakPolarHBondContact CG1-O 3.07Å; V322-L329 HydrophobicContact CB-CD2 4.03Å; V322-L329 HydrophobicContact CB-CG 4.22Å; V322-L329 HydrophobicContact CG1-CD2 3.78Å; V322-L329 HydrophobicContact CG1-CG 3.9Å; V322-L329 HydrophobicContact CG2-CD2 4.18Å
323	W	95.5	Very high	92.7	Very high	16 Å²	16	19.3 Å²	19.3	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-66	-49.7	-179.2	-81.3	117.1	0	0	0	113.5	R282 T283 P284 S319 R321 C325 G326 L329 W408 Y409 V413	R282-W323 HydrophobicContact CB-CH2 4.18Å; R282-W323 HydrophobicContact CB-CZ2 4.28Å; R282-W323 HydrophobicContact CG-CH2 4.07Å; T283-W323 WeakPolarHBondContact O-CZ2 3.3Å; T283-W323 PolarHBondContact O-NE1 2.97Å; P284-W323 VanDerWaalsContact O-CD1 3.28Å; P284-W323 PolarHBondContact O-NE1 2.77Å; S319-W323 PolarHBondContact O-N 3.08Å; S319-W323 VanDerWaalsContact O-N 3.16Å; R321-W323 VanDerWaalsContact C-N 3.34Å; R321-W323 PolarHBondContact O-N 2.9Å; W323-C325 VanDerWaalsContact C-N 3.27Å; W323-C325 PolarHBondContact O-N 3.03Å; W323-G326 PolarHBondContact O-N 2.91Å; W323-L329 HydrophobicContact CZ2-CB 4.25Å; W323-W408 WeakPolarHBondContact O-CZ3 3.49Å; W323-Y409 HydrophobicContact CB-CD2 3.79Å; W323-Y409 HydrophobicContact CB-CE2 3.97Å; W323-Y409 AromaticContact CD1-CE2 3.77Å; W323-Y409 HydrophobicContact CG-CD2 4.24Å; W323-Y409 AromaticContact CG-CE2 4Å; W323-Y409 HydrophobicContact CG-CE2 4Å; W323-V413 HydrophobicContact CB-CG2 4.26Å; W323-V413 HydrophobicContact CD2-CB 4.34Å; W323-V413 HydrophobicContact CD2-CG1 3.56Å; W323-V413 HydrophobicContact CD2-CG2 3.77Å; W323-V413 VanDerWaalsContact CE2-CG1 3.5Å; W323-V413 HydrophobicContact CE3-CG1 4.11Å; W323-V413 HydrophobicContact CE3-CG2 3.61Å; W323-V413 HydrophobicContact CG-CG1 3.8Å; W323-V413 HydrophobicContact CG-CG2 4.09Å; W323-V413 HydrophobicContact CZ2-CG1 4.02Å; W323-V413 HydrophobicContact CZ3-CG2 4.22Å
324	T	96.6	Very high	92.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-70.6	-26.5	-175.2	57.8	0	0	0	0	112.2	F320 R321 W368 C403 K404	F320-T324 VanDerWaalsContact O-CB 3.3Å; F320-T324 WeakPolarHBondContact O-CB 3.29Å; F320-T324 VanDerWaalsContact O-CG2 3.29Å; F320-T324 WeakPolarHBondContact O-CG2 3.43Å; F320-T324 PolarHBondContact O-N 3.19Å; F320-T324 PolarHBondContact O-OG1 3.39Å; R321-T324 PolarHBondContact O-N 2.61Å; T324-W368 VanDerWaalsContact OG1-CZ3 3.26Å; T324-W368 WeakPolarHBondContact OG1-CZ3 3.28Å; T324-C403 CarbonylContact O-C 3.36Å; T324-C403 VanDerWaalsContact O-CA 3.29Å; T324-C403 WeakPolarHBondContact O-CA 3.28Å; T324-K404 PolarHBondContact O-N 3.09Å
325	C	96	Very high	91.9	Very high	26 Å²	26	18.6 Å²	18.6	18%	0.176	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	16.7	179.4	-51.3	0	0	0	0	113.7	R321 W323 L401 C403	R321-C325 WeakPolarHBondContact O-CB 3.33Å; R321-C325 PolarHBondContact O-N 2.99Å; R321-C325 PolarHBondContact O-SG 3.32Å; W323-C325 VanDerWaalsContact C-N 3.27Å; W323-C325 PolarHBondContact O-N 3.03Å; C325-L401 HydrophobicContact CB-CB 4.48Å; C325-L401 HydrophobicContact CB-CD1 4.31Å; C325-C403 HydrophobicContact CB-CB 4.03Å; C325-C403 WeakPolarHBondContact CB-SG 3.43Å; C325-C403 WeakPolarHBondContact SG-CB 3.36Å; C325-C403 CovalentContact SG-SG 2.04Å; C325-C403 PolarHBondContact SG-SG 2.96Å
326	G	90.2	Very high	91.7	Very high	64 Å²	64	18.2 Å²	18.2	66%	0.66	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.2	1.1	165.9	0	0	0	0	0	116.6	V322 W323	V322-G326 PolarHBondContact O-N 2.87Å; W323-G326 PolarHBondContact O-N 2.91Å
327	G	90.5	Very high	91.5	Very high	14 Å²	14	15.5 Å²	15.5	14%	0.144	10%	0.103	C	C	.	.			trans	-89.2	-173.1	171.2	0	0	0	0	0	113.3	Y297 V322	Y297-G327 WeakPolarHBondContact OH-CA 3.44Å; V322-G327 CarbonylContact O-C 3.45Å; V322-G327 WeakPolarHBondContact O-CA 3.47Å; V322-G327 PolarHBondContact O-N 3.29Å
328	S	89.5	Confident	91.3	Very high	20 Å²	20	17.3 Å²	17.3	14%	0.14	12%	0.122	C	C	.	.			trans	-133.1	156.3	173.5	49.7	0	0	0	0	111.5	V322	V322-S328 WeakPolarHBondContact CG1-O 3.07Å
329	L	89.5	Confident	91.2	Very high	4 Å²	4	19 Å²	19	2%	0.021	13%	0.129	C	C	.	.			trans	-115.6	128.1	169.7	-64.6	172.1	0	0	0	109.1	A257 R282 T283 I286 S319 V322 W323	A257-L329 HydrophobicContact CB-CD2 4.38Å; R282-L329 WeakPolarHBondContact CA-O 3.41Å; T283-L329 HydrophobicContact CG2-CB 3.86Å; T283-L329 PolarHBondContact N-O 3.48Å; T283-L329 WeakPolarHBondContact O-CB 3.42Å; I286-L329 HydrophobicContact CG2-CB 4.33Å; I286-L329 HydrophobicContact CG2-CD1 4.14Å; I286-L329 HydrophobicContact CG2-CD2 4.12Å; I286-L329 HydrophobicContact CG2-CG 4.43Å; S319-L329 VanDerWaalsContact CA-CD1 3.41Å; S319-L329 VanDerWaalsContact CB-CD1 3.46Å; V322-L329 HydrophobicContact CB-CD2 4.03Å; V322-L329 HydrophobicContact CB-CG 4.22Å; V322-L329 HydrophobicContact CG1-CD2 3.78Å; V322-L329 HydrophobicContact CG1-CG 3.9Å; V322-L329 HydrophobicContact CG2-CD2 4.18Å; W323-L329 HydrophobicContact CZ2-CB 4.25Å
330	E	85.8	Confident	91	Very high	29 Å²	29	21.1 Å²	21.1	14%	0.136	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.6	-171.9	-63.1	-171	157.7	0	0	111.6	A257 S258 A259 V280 C281 R282	A257-E330 PolarHBondContact O-N 3.07Å; S258-E330 CarbonylContact C-O 3.45Å; S258-E330 WeakPolarHBondContact CA-O 3.27Å; A259-E330 PolarHBondContact N-O 2.87Å; V280-E330 HydrophobicContact CB-CB 4.23Å; V280-E330 HydrophobicContact CG2-CG 4.45Å; V280-E330 WeakPolarHBondContact CG2-OE2 3.35Å; C281-E330 CarbonylContact O-C 3.55Å; C281-E330 WeakPolarHBondContact O-CA 3.38Å; R282-E330 HydrophobicContact CG-CG 4.45Å
331	I	85.7	Confident	90.6	Very high	50 Å²	50	26.7 Å²	26.7	26%	0.256	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.4	174.4	-68	179.1	0	0	0	107.2	A259 I261 C281 T283 P333	A259-I331 HydrophobicContact CB-CG1 4.46Å; I261-I331 HydrophobicContact CB-CG2 4.45Å; I261-I331 HydrophobicContact CD1-CG2 3.51Å; I261-I331 HydrophobicContact CG1-CG2 3.08Å; C281-I331 HydrophobicContact CB-CB 4.23Å; C281-I331 PolarHBondContact N-O 2.72Å; C281-I331 PolarHBondContact O-N 3.07Å; T283-I331 HydrophobicContact CG2-CD1 3.96Å; T283-I331 HydrophobicContact CG2-CG1 3.75Å; I331-P333 WeakPolarHBondContact O-CD 3.3Å
332	H	85.2	Confident	90.2	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.6	-178.9	-161.6	-60.1	0	0	0	111.5	P251 A259 C334 S335	P251-H332 HydrophobicContact CB-CB 4.48Å; P251-H332 WeakPolarHBondContact CB-CE1 3.41Å; P251-H332 VanDerWaalsContact CB-ND1 3.29Å; P251-H332 WeakPolarHBondContact CB-ND1 3.32Å; P251-H332 WeakPolarHBondContact CB-NE2 3.45Å; P251-H332 PolarHBondContact O-CD2 3.31Å; A259-H332 PolarHBondContact O-N 3.39Å; H332-C334 PolarHBondContact ND1-N 3.44Å; H332-C334 VanDerWaalsContact ND1-N 3.13Å; H332-C334 PolarHBondContact O-N 2.76Å; H332-S335 PolarHBondContact O-N 3.41Å
333	P	82.8	Confident	89.4	Confident	36 Å²	36	36.6 Å²	36.6	23%	0.234	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	-24.8	-176.9	22.7	-34	0	0	0	115.9	I261 A278 I331 H336	I261-P333 VanDerWaalsContact CD1-CA 3.41Å; I261-P333 HydrophobicContact CD1-CB 4.31Å; A278-P333 HydrophobicContact CB-CB 4.38Å; A278-P333 HydrophobicContact CB-CG 3.63Å; I331-P333 WeakPolarHBondContact O-CD 3.3Å; P333-H336 PolarHBondContact O-CE1 3.5Å; P333-H336 PolarHBondContact O-NE2 2.78Å
334	C	83.9	Confident	88.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-7.2	177.9	-54.7	0	0	0	0	114.8	C135 P251 H332	C135-C334 HydrophobicContact CB-CB 3.68Å; C135-C334 WeakPolarHBondContact CB-SG 3.39Å; C135-C334 VanDerWaalsContact SG-CA 3.55Å; C135-C334 WeakPolarHBondContact SG-CB 3.29Å; C135-C334 CovalentContact SG-SG 2.02Å; C135-C334 PolarHBondContact SG-SG 3.29Å; P251-C334 HydrophobicContact CB-CB 4.35Å; P251-C334 HydrophobicContact CG-CB 3.97Å; H332-C334 PolarHBondContact ND1-N 3.44Å; H332-C334 VanDerWaalsContact ND1-N 3.13Å; H332-C334 PolarHBondContact O-N 2.76Å
335	S	87.4	Confident	87.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.6	179.3	178	0	0	0	0	110	W248 T252 I261 H332	W248-S335 WeakPolarHBondContact O-CB 3.26Å; W248-S335 PolarHBondContact O-OG 3.11Å; T252-S335 VanDerWaalsContact OG1-CB 3.22Å; T252-S335 WeakPolarHBondContact OG1-CB 3.3Å; T252-S335 PolarHBondContact OG1-OG 3.12Å; I261-S335 PolarHBondContact N-O 3.16Å; I261-S335 VanDerWaalsContact N-O 3.15Å; H332-S335 PolarHBondContact O-N 3.41Å
336	H	90	Very high	87	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.5	-179.1	-62	-91.7	0	0	0	111.1	Y131 T245 H263 P333	Y131-H336 VanDerWaalsContact CB-CD2 3.45Å; Y131-H336 WeakPolarHBondContact CB-CD2 3.44Å; Y131-H336 HydrophobicContact CD2-CB 4.33Å; T245-H336 WeakPolarHBondContact CB-O 3.25Å; T245-H336 HydrophobicContact CG2-CB 3.95Å; T245-H336 WeakPolarHBondContact CG2-O 3.39Å; T245-H336 PolarHBondContact N-O 3.47Å; T245-H336 VanDerWaalsContact N-O 3.1Å; T245-H336 WeakPolarHBondContact OG1-CB 3.14Å; T245-H336 PolarHBondContact OG1-O 3.28Å; H263-H336 AromaticContact ND1-ND1 3.89Å; P333-H336 PolarHBondContact O-CE1 3.5Å; P333-H336 PolarHBondContact O-NE2 2.78Å
337	V	93.2	Very high	86.5	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.5	173.2	-175	0	0	0	0	108	L238 V242 V244 W248 L290	L238-V337 HydrophobicContact CD2-CG1 4.46Å; V242-V337 HydrophobicContact CB-CG1 3.77Å; V242-V337 HydrophobicContact CG1-CG1 4.46Å; V242-V337 HydrophobicContact CG2-CG1 4.01Å; V244-V337 HydrophobicContact CB-CG2 4.39Å; V244-V337 HydrophobicContact CG1-CG1 3.88Å; V244-V337 HydrophobicContact CG1-CG2 3.96Å; W248-V337 HydrophobicContact CD2-CG2 4.37Å; W248-V337 HydrophobicContact CE3-CG2 3.69Å; W248-V337 HydrophobicContact CZ3-CG2 4.29Å; L290-V337 HydrophobicContact CD2-CB 3.54Å; L290-V337 HydrophobicContact CD2-CG1 3.29Å; L290-V337 HydrophobicContact CD2-CG2 4.2Å
338	G	93.5	Very high	85.9	Confident	39 Å²	39	52.8 Å²	52.8	40%	0.402	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.4	172.7	0	0	0	0	0	109.9	V242 E243	V242-G338 CarbonylContact C-O 3.13Å; V242-G338 WeakPolarHBondContact CA-O 3.2Å; V242-G338 WeakPolarHBondContact CB-O 3.09Å; E243-G338 PolarHBondContact N-O 2.88Å; E243-G338 PolarHBondContact O-N 3.45Å
339	H	93.8	Very high	85.3	Confident	40 Å²	40	53.2 Å²	53.2	19%	0.185	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	177.4	171.4	-81.8	0	0	0	109.4	D239 H241 V242 Y262 F341	D239-H339 IonicContact OD2-CD2 3.29Å; D239-H339 PolarHBondContact OD2-CD2 3.17Å; D239-H339 IonicContact OD2-NE2 2.76Å; D239-H339 PolarHBondContact OD2-NE2 3.07Å; H241-H339 AromaticContact CD2-CD2 3.94Å; H241-H339 AromaticContact CD2-CE1 3.95Å; H241-H339 AromaticContact CD2-NE2 3.44Å; H241-H339 PolarHBondContact CD2-NE2 3.48Å; H241-H339 AromaticContact NE2-CE1 3.93Å; H241-H339 AromaticContact NE2-NE2 3.31Å; H241-H339 PolarHBondContact NE2-NE2 3.34Å; V242-H339 HydrophobicContact CG1-CB 4.21Å; Y262-H339 HydrophobicContact CD1-CB 4.32Å; Y262-H339 HydrophobicContact CE1-CB 4.02Å; H339-F341 AromaticContact ND1-CD1 3.97Å; H339-F341 WeakPolarHBondContact O-CD2 3.34Å; H339-F341 PolarHBondContact O-N 2.92Å; H339-F341 VanDerWaalsContact O-N 3.16Å
340	V	92.4	Very high	84.6	Confident	45 Å²	45	58.3 Å²	58.3	27%	0.273	30%	0.297	S	S	.	.			trans	-76.2	103.2	176.7	179.9	0	0	0	0	109.5	F114 H241	F114-V340 HydrophobicContact CB-CG1 3.88Å; F114-V340 HydrophobicContact CD1-CG1 4.06Å; F114-V340 HydrophobicContact CD2-CG1 4.39Å; F114-V340 HydrophobicContact CG-CG1 3.88Å; H241-V340 HydrophobicContact CB-CB 4.21Å; H241-V340 HydrophobicContact CB-CG2 4.41Å; H241-V340 PolarHBondContact O-N 3.3Å
341	F	89.1	Confident	84.1	Confident	137 Å²	137	59.6 Å²	59.6	60%	0.601	32%	0.318	S	S	*	.			trans	-71.3	135.1	174	-70.6	-82.2	0	0	0	111.4	Y262 H339	Y262-F341 HydrophobicContact CD1-CE1 4.34Å; Y262-F341 HydrophobicContact CD1-CE2 4.19Å; Y262-F341 AromaticContact CD1-CZ 3.49Å; Y262-F341 HydrophobicContact CD1-CZ 3.49Å; Y262-F341 VanDerWaalsContact CD1-CZ 3.49Å; Y262-F341 HydrophobicContact CE1-CE1 4.45Å; Y262-F341 AromaticContact CE1-CZ 3.99Å; Y262-F341 HydrophobicContact CE1-CZ 3.99Å; Y262-F341 HydrophobicContact CG-CZ 4.35Å; H339-F341 AromaticContact ND1-CD1 3.97Å; H339-F341 WeakPolarHBondContact O-CD2 3.34Å; H339-F341 PolarHBondContact O-N 2.92Å; H339-F341 VanDerWaalsContact O-N 3.16Å
342	R	87	Confident	84	Confident	51 Å²	51	58.9 Å²	58.9	19%	0.192	32%	0.323	C	S	.	.			trans	-103.2	151.6	-178.4	-63.1	179.6	177.2	174	-8.9	110.7	N112 Q113 F114 E157 H241 P346 Y347	N112-R342 WeakPolarHBondContact O-CD 3.07Å; N112-R342 PolarHBondContact O-NE 3Å; Q113-R342 HydrophobicContact CB-CB 4.15Å; F114-R342 HydrophobicContact CD1-CG 4.22Å; E157-R342 IonicContact OE1-NH2 3.47Å; E157-R342 PolarHBondContact OE1-NH2 3.16Å; E157-R342 IonicContact OE2-CZ 3.16Å; E157-R342 IonicContact OE2-NH2 3.41Å; E157-R342 PolarHBondContact OE2-NH2 3.26Å; H241-R342 VanDerWaalsContact CE1-CZ 3.44Å; H241-R342 PolarHBondContact CE1-NH2 2.98Å; H241-R342 VanDerWaalsContact CE1-NH2 3.27Å; H241-R342 PolarHBondContact ND1-NH2 3.05Å; R342-P346 VanDerWaalsContact NH1-CG 3.29Å; R342-Y347 VanDerWaalsContact NH1-CZ 3.27Å; R342-Y347 PolarHBondContact NH1-OH 3.41Å
343	K	80.8	Confident	84	Confident	161 Å²	161	60.4 Å²	60.4	70%	0.7	34%	0.337	S	S	*	.	S	Bend	trans	-70.7	-37.4	176.6	-169	172.7	-176.4	174.7	0	112.4	F109 Q113	F109-K343 HydrophobicContact CE1-CB 4.03Å; F109-K343 HydrophobicContact CE1-CD 4.2Å; F109-K343 HydrophobicContact CZ-CB 4.06Å; F109-K343 HydrophobicContact CZ-CD 4.42Å; Q113-K343 PolarHBondContact O-N 2.87Å
344	R	80.4	Confident	84.1	Confident	181 Å²	181	63.9 Å²	63.9	68%	0.683	35%	0.353	S	S	*	.	S	Bend	trans	-148.6	165.5	178.4	-62.1	-176.1	178.5	178.6	-1.3	109.3	Q113 P346	Q113-R344 VanDerWaalsContact CB-O 3.29Å; Q113-R344 WeakPolarHBondContact CB-O 3.08Å; Q113-R344 HydrophobicContact CG-CB 4.45Å; Q113-R344 WeakPolarHBondContact CG-O 3.22Å; R344-P346 WeakPolarHBondContact O-CD 3.44Å
345	T	78	Confident	84.4	Confident	78 Å²	78	68.4 Å²	68.4	48%	0.479	38%	0.377	S	S	.	.			trans	-68.5	123.5	171.4	53.6	0	0	0	0	109.8	Y347 F349	T345-Y347 PolarHBondContact O-N 3.14Å; T345-F349 HydrophobicContact CG2-CE2 4.5Å; T345-F349 HydrophobicContact CG2-CZ 4.4Å
346	P	77.7	Confident	84.6	Confident	38 Å²	38	68.5 Å²	68.5	25%	0.247	38%	0.378	C	S	.	.			trans	-77.9	-3.7	179.3	29.5	-32.9	0	0	0	113.4	Q113 R342 R344	Q113-P346 HydrophobicContact CG-CB 3.9Å; R342-P346 VanDerWaalsContact NH1-CG 3.29Å; R344-P346 WeakPolarHBondContact O-CD 3.44Å
347	Y	80.2	Confident	84.7	Confident	61 Å²	61	70.3 Å²	70.3	24%	0.239	39%	0.388	C	S	.	.	S	Bend	trans	-101.1	148.8	-168	-49.6	-56.2	0	0	0	112.8	H155 R342 T345	H155-Y347 AromaticContact CD2-CD1 3.68Å; H155-Y347 AromaticContact CD2-CE1 3.94Å; H155-Y347 WeakPolarHBondContact O-CE1 3.47Å; H155-Y347 PolarHBondContact O-OH 3.44Å; R342-Y347 VanDerWaalsContact NH1-CZ 3.27Å; R342-Y347 PolarHBondContact NH1-OH 3.41Å; T345-Y347 PolarHBondContact O-N 3.14Å
348	T	78.6	Confident	84.7	Confident	104 Å²	104	73.2 Å²	73.2	64%	0.638	40%	0.398	S	S	*	.			trans	-73.7	149	169.2	55.8	0	0	0	0	110.1	R216	R216-T348 PolarHBondContact NH1-O 2.85Å; R216-T348 PolarHBondContact NH1-OG1 3.11Å; R216-T348 PolarHBondContact NH2-O 3.33Å
349	F	76.3	Confident	84.8	Confident	28 Å²	28	71.7 Å²	71.7	12%	0.123	38%	0.382	C	S	.	.			trans	-113	112.8	173	-72.6	-99.2	0	0	0	108.3	I310 W311 T345 G351 G352 A353 V356	I310-F349 HydrophobicContact CB-CD1 4.33Å; I310-F349 HydrophobicContact CD1-CB 4.41Å; I310-F349 HydrophobicContact CD1-CD1 4.27Å; I310-F349 HydrophobicContact CG2-CD1 4.04Å; I310-F349 HydrophobicContact CG2-CE1 4.05Å; W311-F349 HydrophobicContact CB-CE1 4.3Å; W311-F349 HydrophobicContact CE3-CZ 4.48Å; T345-F349 HydrophobicContact CG2-CE2 4.5Å; T345-F349 HydrophobicContact CG2-CZ 4.4Å; F349-G351 PolarHBondContact O-N 2.91Å; F349-G352 PolarHBondContact O-N 2.85Å; F349-A353 HydrophobicContact CB-CB 4.19Å; F349-A353 HydrophobicContact CD1-CB 4.47Å; F349-A353 HydrophobicContact CD2-CB 3.77Å; F349-A353 HydrophobicContact CE2-CB 4.23Å; F349-A353 HydrophobicContact CG-CB 3.9Å; F349-V356 HydrophobicContact CB-CG2 4.42Å; F349-V356 HydrophobicContact CD1-CB 4.05Å; F349-V356 HydrophobicContact CD1-CG1 3.97Å; F349-V356 HydrophobicContact CD1-CG2 4.3Å; F349-V356 HydrophobicContact CE1-CG1 4.36Å
350	V	73.9	Confident	84.9	Confident	111 Å²	111	69.9 Å²	69.9	67%	0.673	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	120.6	175.9	-175.4	0	0	0	0	108	I310	I310-V350 HydrophobicContact CD1-CB 4.27Å; I310-V350 HydrophobicContact CD1-CG2 4.46Å
351	G	75.3	Confident	85.1	Confident	56 Å²	56	68.7 Å²	68.7	58%	0.577	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	2.7	-173.5	0	0	0	0	0	115.5	F349 N355	F349-G351 PolarHBondContact O-N 2.91Å; G351-N355 WeakPolarHBondContact O-CB 3.4Å; G351-N355 PolarHBondContact O-ND2 2.79Å
352	G	84.4	Confident	85.5	Confident	35 Å²	35	64.6 Å²	64.6	36%	0.361	35%	0.349	S	S	.	.			trans	89.6	141.9	177.1	0	0	0	0	0	113.7	F349 N354 N355 V356	F349-G352 PolarHBondContact O-N 2.85Å; G352-N354 VanDerWaalsContact C-N 3.31Å; G352-N354 PolarHBondContact O-N 2.85Å; G352-N355 PolarHBondContact O-N 3.03Å; G352-V356 PolarHBondContact O-N 3.01Å
353	A	85	Confident	86	Confident	37 Å²	37	62.7 Å²	62.7	31%	0.306	34%	0.342	S	S	.	.	H	α-helix	trans	-59.1	-40.6	-174.6	0	0	0	0	0	112.6	F349 V356 I357	F349-A353 HydrophobicContact CB-CB 4.19Å; F349-A353 HydrophobicContact CD1-CB 4.47Å; F349-A353 HydrophobicContact CD2-CB 3.77Å; F349-A353 HydrophobicContact CE2-CB 4.23Å; F349-A353 HydrophobicContact CG-CB 3.9Å; A353-V356 PolarHBondContact O-N 2.8Å; A353-I357 HydrophobicContact CB-CD1 4.36Å; A353-I357 WeakPolarHBondContact O-CB 3.11Å; A353-I357 VanDerWaalsContact O-CG1 3.28Å; A353-I357 WeakPolarHBondContact O-CG1 3.25Å; A353-I357 PolarHBondContact O-N 2.66Å
354	N	86	Confident	86.8	Confident	109 Å²	109	55.3 Å²	55.3	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-61.3	-47.3	178.8	-73.7	-12.7	0	0	0	112.1	G352 V356 Y358	G352-N354 VanDerWaalsContact C-N 3.31Å; G352-N354 PolarHBondContact O-N 2.85Å; N354-V356 VanDerWaalsContact C-N 3.3Å; N354-V356 PolarHBondContact O-N 2.73Å; N354-Y358 HydrophobicContact CB-CD2 4Å; N354-Y358 HydrophobicContact CB-CE2 4.13Å; N354-Y358 VanDerWaalsContact O-CB 3.22Å; N354-Y358 WeakPolarHBondContact O-CB 3.39Å; N354-Y358 WeakPolarHBondContact O-CD2 3.42Å; N354-Y358 PolarHBondContact O-N 2.71Å
355	N	90.4	Very high	87.7	Confident	95 Å²	95	46.7 Å²	46.7	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-63.8	-38.4	180	-73	-25	0	0	0	111.7	G351 G352 G359 V386	G351-N355 WeakPolarHBondContact O-CB 3.4Å; G351-N355 PolarHBondContact O-ND2 2.79Å; G352-N355 PolarHBondContact O-N 3.03Å; N355-G359 WeakPolarHBondContact O-CA 3.47Å; N355-G359 PolarHBondContact O-N 3.19Å; N355-V386 HydrophobicContact CB-CG1 4.42Å; N355-V386 VanDerWaalsContact O-CG1 3.32Å; N355-V386 WeakPolarHBondContact O-CG1 3.39Å
356	V	91.6	Very high	88.6	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-69.2	-54.6	178.4	172.7	0	0	0	0	111.4	K309 I310 F349 G352 A353 N354 G359 N360	K309-V356 HydrophobicContact CB-CG1 4.14Å; K309-V356 HydrophobicContact CB-CG2 4.5Å; K309-V356 WeakPolarHBondContact O-CG1 3.45Å; I310-V356 HydrophobicContact CB-CG1 4.1Å; I310-V356 HydrophobicContact CD1-CG2 4.3Å; F349-V356 HydrophobicContact CB-CG2 4.42Å; F349-V356 HydrophobicContact CD1-CB 4.05Å; F349-V356 HydrophobicContact CD1-CG1 3.97Å; F349-V356 HydrophobicContact CD1-CG2 4.3Å; F349-V356 HydrophobicContact CE1-CG1 4.36Å; G352-V356 PolarHBondContact O-N 3.01Å; A353-V356 PolarHBondContact O-N 2.8Å; N354-V356 VanDerWaalsContact C-N 3.3Å; N354-V356 PolarHBondContact O-N 2.73Å; V356-G359 PolarHBondContact O-N 3.4Å; V356-N360 WeakPolarHBondContact O-CB 3.35Å; V356-N360 PolarHBondContact O-N 3.09Å; V356-N360 PolarHBondContact O-OD1 2.97Å
357	I	91	Very high	89.6	Confident	60 Å²	60	42.8 Å²	42.8	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-67.2	-47.9	-173.5	-65.4	168.8	0	0	0	110.5	W311 A353 N360 A361	W311-I357 HydrophobicContact CE3-CG1 4.46Å; W311-I357 HydrophobicContact CZ3-CD1 4.3Å; A353-I357 HydrophobicContact CB-CD1 4.36Å; A353-I357 WeakPolarHBondContact O-CB 3.11Å; A353-I357 VanDerWaalsContact O-CG1 3.28Å; A353-I357 WeakPolarHBondContact O-CG1 3.25Å; A353-I357 PolarHBondContact O-N 2.66Å; I357-N360 PolarHBondContact O-N 3.4Å; I357-A361 WeakPolarHBondContact O-CB 3.5Å; I357-A361 PolarHBondContact O-N 2.71Å
358	Y	94.2	Very high	90.5	Very high	68 Å²	68	40 Å²	40	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-33.6	178.1	-69.2	-55.1	0	0	0	112.5	N354 A361 R362 A382 A383	N354-Y358 HydrophobicContact CB-CD2 4Å; N354-Y358 HydrophobicContact CB-CE2 4.13Å; N354-Y358 VanDerWaalsContact O-CB 3.22Å; N354-Y358 WeakPolarHBondContact O-CB 3.39Å; N354-Y358 WeakPolarHBondContact O-CD2 3.42Å; N354-Y358 PolarHBondContact O-N 2.71Å; Y358-A361 PolarHBondContact O-N 3.42Å; Y358-R362 WeakPolarHBondContact O-CB 3.48Å; Y358-R362 PolarHBondContact O-N 3.4Å; Y358-A382 HydrophobicContact CD2-CB 4.29Å; Y358-A382 HydrophobicContact CE2-CB 3.95Å; Y358-A383 HydrophobicContact CD1-CB 4.03Å; Y358-A383 HydrophobicContact CG-CB 4.35Å
359	G	95.3	Very high	91.4	Very high	6 Å²	6	36 Å²	36	6%	0.062	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-50.3	173.7	0	0	0	0	0	111	N355 V356 R362 R363	N355-G359 WeakPolarHBondContact O-CA 3.47Å; N355-G359 PolarHBondContact O-N 3.19Å; V356-G359 PolarHBondContact O-N 3.4Å; G359-R362 PolarHBondContact O-N 3.25Å; G359-R363 WeakPolarHBondContact O-CG 3.4Å; G359-R363 PolarHBondContact O-N 2.75Å
360	N	96	Very high	92.4	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-47	176.7	-65.3	-7.3	0	0	0	111.7	M308 K309 W311 G312 A313 V356 I357 R362 R363 V364	M308-N360 WeakPolarHBondContact CA-OD1 3.17Å; M308-N360 HydrophobicContact CE-CB 4.44Å; M308-N360 HydrophobicContact CG-CB 4.3Å; K309-N360 PolarHBondContact N-OD1 2.72Å; K309-N360 PolarHBondContact O-ND2 2.85Å; W311-N360 PolarHBondContact O-ND2 3.39Å; G312-N360 WeakPolarHBondContact O-CB 3.49Å; G312-N360 PolarHBondContact O-ND2 3.06Å; A313-N360 HydrophobicContact CB-CB 4.36Å; V356-N360 WeakPolarHBondContact O-CB 3.35Å; V356-N360 PolarHBondContact O-N 3.09Å; V356-N360 PolarHBondContact O-OD1 2.97Å; I357-N360 PolarHBondContact O-N 3.4Å; N360-R362 VanDerWaalsContact C-N 3.28Å; N360-R362 PolarHBondContact O-N 2.89Å; N360-R363 WeakPolarHBondContact O-CB 3.45Å; N360-R363 PolarHBondContact O-N 3.21Å; N360-R363 VanDerWaalsContact O-N 3.09Å; N360-V364 WeakPolarHBondContact O-CG2 3.27Å; N360-V364 PolarHBondContact O-N 3.18Å; N360-V364 VanDerWaalsContact O-N 3.09Å
361	A	96.5	Very high	93.4	Very high	19 Å²	19	35 Å²	35	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-38.4	178.3	0	0	0	0	0	112.1	A313 I357 Y358 V364 A365 F376	A313-A361 HydrophobicContact CB-CB 4.25Å; I357-A361 WeakPolarHBondContact O-CB 3.5Å; I357-A361 PolarHBondContact O-N 2.71Å; Y358-A361 PolarHBondContact O-N 3.42Å; A361-V364 WeakPolarHBondContact O-CB 3.33Å; A361-V364 PolarHBondContact O-N 3.34Å; A361-A365 WeakPolarHBondContact O-CB 3.13Å; A361-A365 PolarHBondContact O-N 2.82Å; A361-F376 HydrophobicContact CB-CE2 4.14Å; A361-F376 HydrophobicContact CB-CZ 3.7Å
362	R	97.1	Very high	94.4	Very high	51 Å²	51	33 Å²	33	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-42.3	173.7	178.3	168.4	-173.7	175.4	7.4	111.7	Y358 G359 N360 V364 A365 E366 Y377 A383 L384 V386 A388	Y358-R362 WeakPolarHBondContact O-CB 3.48Å; Y358-R362 PolarHBondContact O-N 3.4Å; G359-R362 PolarHBondContact O-N 3.25Å; N360-R362 VanDerWaalsContact C-N 3.28Å; N360-R362 PolarHBondContact O-N 2.89Å; R362-V364 VanDerWaalsContact C-N 3.3Å; R362-V364 PolarHBondContact O-N 2.75Å; R362-A365 PolarHBondContact O-N 3.49Å; R362-E366 HydrophobicContact CG-CG 4.05Å; R362-E366 IonicContact NE-OE1 3.68Å; R362-E366 IonicContact NH2-OE1 3.55Å; R362-E366 VanDerWaalsContact O-CG 3.27Å; R362-E366 WeakPolarHBondContact O-CG 3.49Å; R362-E366 PolarHBondContact O-N 2.97Å; R362-Y377 HydrophobicContact CG-CE1 4.4Å; R362-A383 WeakPolarHBondContact CD-O 3.34Å; R362-L384 PolarHBondContact NH1-O 3.05Å; R362-V386 WeakPolarHBondContact CD-O 3.45Å; R362-V386 PolarHBondContact NH1-O 3.25Å; R362-A388 HydrophobicContact CB-CB 4.05Å; R362-A388 HydrophobicContact CG-CB 3.71Å
363	R	97.9	Very high	94.9	Very high	11 Å²	11	34.4 Å²	34.4	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-43.6	174.1	-64.4	176.9	69.3	79	1.7	111.6	D305 G359 N360 V367 A388 D390	D305-R363 IonicContact OD1-CZ 3.28Å; D305-R363 IonicContact OD1-NE 3.05Å; D305-R363 IonicContact OD1-NH2 3.01Å; D305-R363 PolarHBondContact OD1-NH2 3.23Å; D305-R363 IonicContact OD2-CZ 2.88Å; D305-R363 VanDerWaalsContact OD2-CZ 3.28Å; D305-R363 IonicContact OD2-NE 3.62Å; D305-R363 PolarHBondContact OD2-NE 2.89Å; D305-R363 IonicContact OD2-NH2 3.62Å; D305-R363 PolarHBondContact OD2-NH2 3.1Å; G359-R363 WeakPolarHBondContact O-CG 3.4Å; G359-R363 PolarHBondContact O-N 2.75Å; N360-R363 WeakPolarHBondContact O-CB 3.45Å; N360-R363 PolarHBondContact O-N 3.21Å; N360-R363 VanDerWaalsContact O-N 3.09Å; R363-V367 WeakPolarHBondContact O-CB 3.29Å; R363-V367 VanDerWaalsContact O-CG2 3.22Å; R363-V367 WeakPolarHBondContact O-CG2 3.2Å; R363-V367 PolarHBondContact O-N 3.19Å; R363-A388 WeakPolarHBondContact CD-O 3.27Å; R363-A388 HydrophobicContact CG-CB 3.84Å; R363-A388 WeakPolarHBondContact CG-O 3.44Å; R363-A388 PolarHBondContact NH1-O 3.34Å; R363-D390 PolarHBondContact NH1-O 3.47Å; R363-D390 PolarHBondContact NH2-O 2.83Å
364	V	98	Very high	95.3	Very high	6 Å²	6	35 Å²	35	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-47.3	175.2	-175.2	0	0	0	0	111.1	M308 A313 E317 F320 N360 A361 R362 V367 W368	M308-V364 HydrophobicContact CE-CG2 3.27Å; A313-V364 HydrophobicContact CB-CG2 3.98Å; E317-V364 HydrophobicContact CB-CG1 4.48Å; E317-V364 HydrophobicContact CB-CG2 3.7Å; E317-V364 HydrophobicContact CG-CG2 4.13Å; F320-V364 HydrophobicContact CD2-CG1 3.65Å; F320-V364 HydrophobicContact CE2-CG1 3.79Å; N360-V364 WeakPolarHBondContact O-CG2 3.27Å; N360-V364 PolarHBondContact O-N 3.18Å; N360-V364 VanDerWaalsContact O-N 3.09Å; A361-V364 WeakPolarHBondContact O-CB 3.33Å; A361-V364 PolarHBondContact O-N 3.34Å; R362-V364 VanDerWaalsContact C-N 3.3Å; R362-V364 PolarHBondContact O-N 2.75Å; V364-V367 PolarHBondContact O-N 3.01Å; V364-W368 WeakPolarHBondContact O-CB 3.34Å; V364-W368 PolarHBondContact O-N 3.24Å
365	A	97.7	Very high	95.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-47.9	-178.2	0	0	0	0	0	112.7	A361 R362 V367 L369 K373 F376	A361-A365 WeakPolarHBondContact O-CB 3.13Å; A361-A365 PolarHBondContact O-N 2.82Å; R362-A365 PolarHBondContact O-N 3.49Å; A365-V367 VanDerWaalsContact C-N 3.32Å; A365-V367 PolarHBondContact O-N 2.83Å; A365-L369 HydrophobicContact CB-CD1 3.86Å; A365-L369 HydrophobicContact CB-CG 4.45Å; A365-L369 WeakPolarHBondContact O-CB 3.3Å; A365-L369 PolarHBondContact O-N 3.29Å; A365-K373 HydrophobicContact CB-CB 4.14Å; A365-F376 HydrophobicContact CB-CD1 3.51Å; A365-F376 HydrophobicContact CB-CE1 3.89Å; A365-F376 HydrophobicContact CB-CG 4.32Å
366	E	97.8	Very high	95.7	Very high	31 Å²	31	29.1 Å²	29.1	15%	0.145	15%	0.151	C	C	.	.	H	α-helix	trans	-69	-29.1	-177.6	-64.1	-72.1	-166.3	0	0	113.1	R362 K373 Y377 Y391	R362-E366 HydrophobicContact CG-CG 4.05Å; R362-E366 IonicContact NE-OE1 3.68Å; R362-E366 IonicContact NH2-OE1 3.55Å; R362-E366 VanDerWaalsContact O-CG 3.27Å; R362-E366 WeakPolarHBondContact O-CG 3.49Å; R362-E366 PolarHBondContact O-N 2.97Å; E366-K373 IonicContact OE2-NZ 3.03Å; E366-K373 PolarHBondContact OE2-NZ 3.18Å; E366-Y377 VanDerWaalsContact CD-OH 3.27Å; E366-Y377 WeakPolarHBondContact CG-OH 3.43Å; E366-Y377 PolarHBondContact OE1-OH 3.41Å; E366-Y391 HydrophobicContact CB-CD2 4.32Å; E366-Y391 HydrophobicContact CB-CE1 4.1Å; E366-Y391 HydrophobicContact CB-CE2 3.8Å; E366-Y391 HydrophobicContact CG-CE1 4.1Å; E366-Y391 HydrophobicContact CG-CE2 4.49Å
367	V	98.3	Very high	95.7	Very high	3 Å²	3	30 Å²	30	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-91.4	-39.3	-177.4	179	0	0	0	0	112.3	R363 V364 A365 Y391 R394 Q395 R398	R363-V367 WeakPolarHBondContact O-CB 3.29Å; R363-V367 VanDerWaalsContact O-CG2 3.22Å; R363-V367 WeakPolarHBondContact O-CG2 3.2Å; R363-V367 PolarHBondContact O-N 3.19Å; V364-V367 PolarHBondContact O-N 3.01Å; A365-V367 VanDerWaalsContact C-N 3.32Å; A365-V367 PolarHBondContact O-N 2.83Å; V367-Y391 HydrophobicContact CG2-CD2 4.03Å; V367-Y391 HydrophobicContact CG2-CG 4.2Å; V367-R394 HydrophobicContact CG1-CB 3.91Å; V367-R394 HydrophobicContact CG2-CB 3.87Å; V367-Q395 HydrophobicContact CG2-CG 4.26Å; V367-R398 VanDerWaalsContact O-CD 3.28Å; V367-R398 WeakPolarHBondContact O-CD 3.47Å; V367-R398 PolarHBondContact O-NH1 3.31Å
368	W	98.3	Very high	95.6	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-116.5	-20.7	-164.3	-62.7	106.2	0	0	0	115.3	E317 F320 R321 T324 V364 R398 C403 F406	E317-W368 PolarHBondContact OE1-NE1 3.41Å; E317-W368 VanDerWaalsContact OE1-NE1 3.11Å; F320-W368 HydrophobicContact CB-CB 4.07Å; F320-W368 HydrophobicContact CB-CG 4.23Å; F320-W368 HydrophobicContact CD2-CB 4.13Å; R321-W368 HydrophobicContact CB-CH2 3.62Å; R321-W368 HydrophobicContact CB-CZ2 3.58Å; R321-W368 HydrophobicContact CB-CZ3 4.09Å; R321-W368 HydrophobicContact CG-CH2 3.52Å; R321-W368 HydrophobicContact CG-CZ2 3.72Å; R321-W368 HydrophobicContact CG-CZ3 4.3Å; T324-W368 VanDerWaalsContact OG1-CZ3 3.26Å; T324-W368 WeakPolarHBondContact OG1-CZ3 3.28Å; V364-W368 WeakPolarHBondContact O-CB 3.34Å; V364-W368 PolarHBondContact O-N 3.24Å; W368-R398 HydrophobicContact CE3-CG 4.31Å; W368-R398 HydrophobicContact CH2-CB 4.03Å; W368-R398 HydrophobicContact CH2-CG 4.03Å; W368-R398 HydrophobicContact CZ3-CB 4.21Å; W368-R398 HydrophobicContact CZ3-CG 3.69Å; W368-C403 HydrophobicContact CZ3-CB 4.34Å; W368-F406 WeakPolarHBondContact O-CB 2.95Å; W368-F406 VanDerWaalsContact O-CD2 3.25Å; W368-F406 WeakPolarHBondContact O-CD2 3.49Å
369	L	97.8	Very high	95.3	Very high	22 Å²	22	30 Å²	30	12%	0.115	17%	0.17	C	C	.	.			trans	-93.1	1.2	-172.1	-59.7	-175.3	0	0	0	114.6	F320 A365 S371 Y372 K373 F376 F406	F320-L369 HydrophobicContact CD2-CD2 4.15Å; F320-L369 HydrophobicContact CE2-CD2 3.73Å; F320-L369 HydrophobicContact CZ-CD2 4.24Å; A365-L369 HydrophobicContact CB-CD1 3.86Å; A365-L369 HydrophobicContact CB-CG 4.45Å; A365-L369 WeakPolarHBondContact O-CB 3.3Å; A365-L369 PolarHBondContact O-N 3.29Å; L369-S371 PolarHBondContact O-N 2.86Å; L369-Y372 WeakPolarHBondContact O-CA 3.47Å; L369-Y372 VanDerWaalsContact O-CB 3.26Å; L369-Y372 WeakPolarHBondContact O-CB 3.19Å; L369-Y372 PolarHBondContact O-N 3.09Å; L369-K373 HydrophobicContact CB-CB 4.04Å; L369-K373 PolarHBondContact O-N 3.13Å; L369-F376 HydrophobicContact CD1-CB 4.22Å; L369-F406 HydrophobicContact CD2-CD1 4.12Å; L369-F406 HydrophobicContact CD2-CD2 3.7Å; L369-F406 HydrophobicContact CD2-CE1 3.73Å; L369-F406 HydrophobicContact CD2-CE2 3.29Å; L369-F406 HydrophobicContact CD2-CG 4.11Å; L369-F406 HydrophobicContact CD2-CZ 3.3Å
370	D	97.3	Very high	95.1	Very high	54 Å²	54	31.3 Å²	31.3	29%	0.289	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	48.1	-128.8	-178.9	-61.3	-30	0	0	0	112.1	Y372 K373 R398 S405 F406	D370-Y372 VanDerWaalsContact C-N 3.28Å; D370-Y372 PolarHBondContact O-N 3.37Å; D370-K373 WeakPolarHBondContact O-CD 3.34Å; D370-K373 VanDerWaalsContact O-CG 3.27Å; D370-K373 WeakPolarHBondContact O-CG 3.42Å; D370-R398 VanDerWaalsContact CG-NH2 3.32Å; D370-R398 IonicContact OD1-CZ 3.33Å; D370-R398 IonicContact OD1-NH1 3.81Å; D370-R398 PolarHBondContact OD1-NH1 3.44Å; D370-R398 IonicContact OD1-NH2 2.69Å; D370-R398 PolarHBondContact OD1-NH2 3.47Å; D370-R398 IonicContact OD2-NH2 2.67Å; D370-R398 PolarHBondContact OD2-NH2 3.39Å; D370-S405 WeakPolarHBondContact OD2-CA 3.17Å; D370-F406 HydrophobicContact CB-CB 4.33Å; D370-F406 PolarHBondContact OD2-N 3.01Å
371	S	95.4	Very high	94.8	Very high	64 Å²	64	35 Å²	35	45%	0.448	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-72.1	-20.1	174.8	62	0	0	0	0	113.2	L369 K373 S374 Y423	L369-S371 PolarHBondContact O-N 2.86Å; S371-K373 PolarHBondContact O-N 3.26Å; S371-S374 PolarHBondContact O-N 3.34Å; S371-S374 PolarHBondContact O-OG 3.45Å; S371-Y423 VanDerWaalsContact CB-OH 3.3Å; S371-Y423 WeakPolarHBondContact CB-OH 3.32Å; S371-Y423 PolarHBondContact O-OH 3.16Å; S371-Y423 PolarHBondContact OG-OH 3.07Å; S371-Y423 VanDerWaalsContact OG-OH 3.11Å
372	Y	95.7	Very high	94.5	Very high	12 Å²	12	36 Å²	36	5%	0.047	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-72.7	-10.2	-178.6	-57.7	-93.5	0	0	0	113.1	L369 D370 S374 F375 F406 R407 L410 I419 I421 Y423	L369-Y372 WeakPolarHBondContact O-CA 3.47Å; L369-Y372 VanDerWaalsContact O-CB 3.26Å; L369-Y372 WeakPolarHBondContact O-CB 3.19Å; L369-Y372 PolarHBondContact O-N 3.09Å; D370-Y372 VanDerWaalsContact C-N 3.28Å; D370-Y372 PolarHBondContact O-N 3.37Å; Y372-S374 PolarHBondContact O-N 2.94Å; Y372-S374 VanDerWaalsContact O-N 3.09Å; Y372-F375 HydrophobicContact CD1-CD2 4.22Å; Y372-F375 HydrophobicContact CD1-CE2 4.03Å; Y372-F375 WeakPolarHBondContact O-CB 3.18Å; Y372-F375 PolarHBondContact O-N 2.66Å; Y372-F406 HydrophobicContact CD2-CB 4.12Å; Y372-F406 AromaticContact CD2-CD1 3.69Å; Y372-F406 HydrophobicContact CD2-CD1 3.69Å; Y372-F406 HydrophobicContact CD2-CG 4.39Å; Y372-F406 HydrophobicContact CE2-CD1 4.4Å; Y372-F406 AromaticContact CG-CD1 3.86Å; Y372-F406 HydrophobicContact CG-CD1 3.86Å; Y372-F406 HydrophobicContact CG-CE1 4.48Å; Y372-R407 HydrophobicContact CE2-CB 3.95Å; Y372-R407 WeakPolarHBondContact OH-CB 3.39Å; Y372-R407 WeakPolarHBondContact OH-CG 3.38Å; Y372-L410 HydrophobicContact CD1-CD1 3.82Å; Y372-L410 HydrophobicContact CE1-CD1 3.56Å; Y372-L410 HydrophobicContact CE2-CD1 4.42Å; Y372-L410 HydrophobicContact CG-CD1 4.35Å; Y372-I419 HydrophobicContact CD1-CG2 3.7Å; Y372-I419 HydrophobicContact CE1-CG2 4.18Å; Y372-I421 PolarHBondContact OH-O 3.41Å; Y372-Y423 HydrophobicContact CD1-CD1 4.38Å; Y372-Y423 AromaticContact CD1-CE1 3.74Å; Y372-Y423 HydrophobicContact CD1-CE1 3.74Å; Y372-Y423 AromaticContact CE1-CD1 3.98Å; Y372-Y423 HydrophobicContact CE1-CD1 3.98Å; Y372-Y423 AromaticContact CE1-CE1 3.58Å; Y372-Y423 HydrophobicContact CE1-CE1 3.58Å; Y372-Y423 HydrophobicContact CG-CE1 4.43Å
373	K	95.6	Very high	94.3	Very high	66 Å²	66	33.6 Å²	33.6	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-55.1	-25.5	170.8	69.3	-170.5	178.9	177.4	0	112.9	A365 E366 L369 D370 S371 F375 F376 Y377	A365-K373 HydrophobicContact CB-CB 4.14Å; E366-K373 IonicContact OE2-NZ 3.03Å; E366-K373 PolarHBondContact OE2-NZ 3.18Å; L369-K373 HydrophobicContact CB-CB 4.04Å; L369-K373 PolarHBondContact O-N 3.13Å; D370-K373 WeakPolarHBondContact O-CD 3.34Å; D370-K373 VanDerWaalsContact O-CG 3.27Å; D370-K373 WeakPolarHBondContact O-CG 3.42Å; S371-K373 PolarHBondContact O-N 3.26Å; K373-F375 VanDerWaalsContact C-N 3.28Å; K373-F375 PolarHBondContact O-N 3.42Å; K373-F376 WeakPolarHBondContact O-CB 3.36Å; K373-F376 PolarHBondContact O-N 2.79Å; K373-F376 VanDerWaalsContact O-N 3.11Å; K373-Y377 HydrophobicContact CB-CD2 4.35Å; K373-Y377 HydrophobicContact CB-CE2 3.93Å; K373-Y377 HydrophobicContact CD-CE2 4.13Å; K373-Y377 HydrophobicContact CG-CD2 4.3Å; K373-Y377 HydrophobicContact CG-CE2 3.9Å; K373-Y377 WeakPolarHBondContact O-CD2 3.3Å; K373-Y377 PolarHBondContact O-N 3.27Å
374	S	92.7	Very high	94.1	Very high	50 Å²	50	37.1 Å²	37.1	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-35.4	173.9	-57.6	0	0	0	0	112.9	S371 Y372 F376 Y377 L378	S371-S374 PolarHBondContact O-N 3.34Å; S371-S374 PolarHBondContact O-OG 3.45Å; Y372-S374 PolarHBondContact O-N 2.94Å; Y372-S374 VanDerWaalsContact O-N 3.09Å; S374-F376 VanDerWaalsContact C-N 3.34Å; S374-Y377 PolarHBondContact O-N 2.87Å; S374-L378 WeakPolarHBondContact O-CB 3.49Å; S374-L378 PolarHBondContact O-N 3.21Å
375	F	92	Very high	93.8	Very high	34 Å²	34	45.8 Å²	45.8	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-42.1	173.9	-71.2	-91.5	0	0	0	111.3	Y372 K373 L378 A379 I419 P420 Y423 I426	Y372-F375 HydrophobicContact CD1-CD2 4.22Å; Y372-F375 HydrophobicContact CD1-CE2 4.03Å; Y372-F375 WeakPolarHBondContact O-CB 3.18Å; Y372-F375 PolarHBondContact O-N 2.66Å; K373-F375 VanDerWaalsContact C-N 3.28Å; K373-F375 PolarHBondContact O-N 3.42Å; F375-L378 PolarHBondContact O-N 2.87Å; F375-A379 WeakPolarHBondContact O-CB 3.27Å; F375-A379 PolarHBondContact O-N 3.48Å; F375-A379 VanDerWaalsContact O-N 3.09Å; F375-I419 HydrophobicContact CD2-CG2 4.26Å; F375-I419 HydrophobicContact CE2-CG2 4.24Å; F375-I419 HydrophobicContact CG-CG2 4.47Å; F375-I419 HydrophobicContact CZ-CG2 4.43Å; F375-P420 HydrophobicContact CE1-CG 4.04Å; F375-P420 HydrophobicContact CZ-CG 3.7Å; F375-Y423 AromaticContact CE2-CD1 3.82Å; F375-Y423 HydrophobicContact CE2-CD1 3.82Å; F375-Y423 HydrophobicContact CE2-CD2 4.09Å; F375-Y423 AromaticContact CE2-CE1 3.68Å; F375-Y423 HydrophobicContact CE2-CE1 3.68Å; F375-Y423 AromaticContact CE2-CE2 3.94Å; F375-Y423 HydrophobicContact CE2-CE2 3.94Å; F375-Y423 HydrophobicContact CE2-CG 4.05Å; F375-Y423 AromaticContact CE2-CZ 3.74Å; F375-Y423 HydrophobicContact CZ-CD1 4.07Å; F375-Y423 HydrophobicContact CZ-CD2 4.11Å; F375-Y423 HydrophobicContact CZ-CE1 4.38Å; F375-Y423 HydrophobicContact CZ-CE2 4.4Å; F375-Y423 AromaticContact CZ-CG 3.94Å; F375-Y423 HydrophobicContact CZ-CG 3.94Å; F375-I426 HydrophobicContact CB-CD1 4.06Å; F375-I426 HydrophobicContact CD1-CD1 3.31Å; F375-I426 HydrophobicContact CD1-CG1 4.44Å; F375-I426 HydrophobicContact CD2-CD1 3.86Å; F375-I426 HydrophobicContact CE1-CD1 3.56Å; F375-I426 HydrophobicContact CE1-CG1 4.31Å; F375-I426 HydrophobicContact CE2-CD1 4.07Å; F375-I426 HydrophobicContact CG-CD1 3.46Å; F375-I426 VanDerWaalsContact CG-CD1 3.46Å; F375-I426 HydrophobicContact CZ-CD1 3.93Å
376	F	92.9	Very high	93.6	Very high	45 Å²	45	46.4 Å²	46.4	20%	0.197	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-47.4	175.8	166	-112.2	0	0	0	111.4	A361 A365 L369 K373 S374 L378 A379 S380 A383	A361-F376 HydrophobicContact CB-CE2 4.14Å; A361-F376 HydrophobicContact CB-CZ 3.7Å; A365-F376 HydrophobicContact CB-CD1 3.51Å; A365-F376 HydrophobicContact CB-CE1 3.89Å; A365-F376 HydrophobicContact CB-CG 4.32Å; L369-F376 HydrophobicContact CD1-CB 4.22Å; K373-F376 WeakPolarHBondContact O-CB 3.36Å; K373-F376 PolarHBondContact O-N 2.79Å; K373-F376 VanDerWaalsContact O-N 3.11Å; S374-F376 VanDerWaalsContact C-N 3.34Å; F376-L378 VanDerWaalsContact C-N 3.34Å; F376-L378 PolarHBondContact O-N 3.25Å; F376-A379 PolarHBondContact O-N 3.17Å; F376-S380 PolarHBondContact O-N 3.21Å; F376-A383 HydrophobicContact CE1-CB 3.69Å; F376-A383 HydrophobicContact CZ-CB 3.57Å
377	Y	92.7	Very high	93.3	Very high	22 Å²	22	51.2 Å²	51.2	9%	0.086	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-29.6	-179.7	-65.3	-51.8	0	0	0	113.8	R362 E366 K373 S374 S380 P381 A383 L384	R362-Y377 HydrophobicContact CG-CE1 4.4Å; E366-Y377 VanDerWaalsContact CD-OH 3.27Å; E366-Y377 WeakPolarHBondContact CG-OH 3.43Å; E366-Y377 PolarHBondContact OE1-OH 3.41Å; K373-Y377 HydrophobicContact CB-CD2 4.35Å; K373-Y377 HydrophobicContact CB-CE2 3.93Å; K373-Y377 HydrophobicContact CD-CE2 4.13Å; K373-Y377 HydrophobicContact CG-CD2 4.3Å; K373-Y377 HydrophobicContact CG-CE2 3.9Å; K373-Y377 WeakPolarHBondContact O-CD2 3.3Å; K373-Y377 PolarHBondContact O-N 3.27Å; S374-Y377 PolarHBondContact O-N 2.87Å; Y377-S380 CarbonylContact O-C 3.57Å; Y377-P381 WeakPolarHBondContact O-CA 3.44Å; Y377-A383 HydrophobicContact CD1-CB 4.27Å; Y377-A383 HydrophobicContact CE1-CB 4.22Å; Y377-L384 HydrophobicContact CD1-CD1 4.4Å; Y377-L384 HydrophobicContact CD1-CD2 3.54Å; Y377-L384 HydrophobicContact CD1-CG 3.55Å; Y377-L384 HydrophobicContact CD2-CD2 3.96Å; Y377-L384 HydrophobicContact CE1-CD2 3.68Å; Y377-L384 HydrophobicContact CE1-CG 4.08Å; Y377-L384 HydrophobicContact CE2-CD2 4.09Å; Y377-L384 HydrophobicContact CG-CD1 4.27Å; Y377-L384 HydrophobicContact CG-CD2 3.7Å; Y377-L384 HydrophobicContact CG-CG 3.85Å
378	L	88.9	Confident	93.1	Very high	47 Å²	47	51.6 Å²	51.6	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-43.2	171.8	-171.5	71.1	0	0	0	111.2	S374 F375 F376 I426 F428 G441	S374-L378 WeakPolarHBondContact O-CB 3.49Å; S374-L378 PolarHBondContact O-N 3.21Å; F375-L378 PolarHBondContact O-N 2.87Å; F376-L378 VanDerWaalsContact C-N 3.34Å; F376-L378 PolarHBondContact O-N 3.25Å; L378-I426 HydrophobicContact CB-CD1 4.39Å; L378-I426 HydrophobicContact CD2-CD1 3.78Å; L378-I426 HydrophobicContact CD2-CG1 3.68Å; L378-F428 HydrophobicContact CD1-CD2 4.48Å; L378-F428 HydrophobicContact CD1-CE1 4.14Å; L378-F428 HydrophobicContact CD1-CE2 3.83Å; L378-F428 HydrophobicContact CD1-CZ 3.63Å; L378-G441 VanDerWaalsContact CD2-CA 3.44Å
379	A	87.6	Confident	92.9	Very high	82 Å²	82	53.3 Å²	53.3	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-74.8	-27.4	178.6	0	0	0	0	0	113.1	F375 F376	F375-A379 WeakPolarHBondContact O-CB 3.27Å; F375-A379 PolarHBondContact O-N 3.48Å; F375-A379 VanDerWaalsContact O-N 3.09Å; F376-A379 PolarHBondContact O-N 3.17Å
380	S	90.5	Very high	92.9	Very high	33 Å²	33	57.5 Å²	57.5	23%	0.231	33%	0.332	C	S	.	.			trans	-138	67.1	-175.7	-69.2	0	0	0	0	111.3	F376 Y377 A382 A383	F376-S380 PolarHBondContact O-N 3.21Å; Y377-S380 CarbonylContact O-C 3.57Å; S380-A382 PolarHBondContact O-N 3.09Å; S380-A382 VanDerWaalsContact O-N 3.11Å; S380-A383 WeakPolarHBondContact O-CB 3.43Å; S380-A383 PolarHBondContact O-N 2.69Å
381	P	90.3	Very high	92.9	Very high	80 Å²	80	57.5 Å²	57.5	52%	0.519	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.4	-175.9	24.5	-34.4	0	0	0	113	Y377 A383 L384	Y377-P381 WeakPolarHBondContact O-CA 3.44Å; P381-A383 PolarHBondContact O-N 2.91Å; P381-L384 PolarHBondContact O-N 3.47Å
382	A	90.2	Very high	93	Very high	41 Å²	41	56.1 Å²	56.1	34%	0.339	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29.7	173.2	0	0	0	0	0	112.7	Y358 S380 L384 K385	Y358-A382 HydrophobicContact CD2-CB 4.29Å; Y358-A382 HydrophobicContact CE2-CB 3.95Å; S380-A382 PolarHBondContact O-N 3.09Å; S380-A382 VanDerWaalsContact O-N 3.11Å; A382-L384 VanDerWaalsContact C-N 3.27Å; A382-L384 PolarHBondContact O-N 2.95Å; A382-K385 PolarHBondContact O-N 3.33Å; A382-K385 VanDerWaalsContact O-N 3.15Å
383	A	93	Very high	93.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-65.3	-28.9	-179.7	0	0	0	0	0	113.3	Y358 R362 F376 Y377 S380 P381 K385 V386	Y358-A383 HydrophobicContact CD1-CB 4.03Å; Y358-A383 HydrophobicContact CG-CB 4.35Å; R362-A383 WeakPolarHBondContact CD-O 3.34Å; F376-A383 HydrophobicContact CE1-CB 3.69Å; F376-A383 HydrophobicContact CZ-CB 3.57Å; Y377-A383 HydrophobicContact CD1-CB 4.27Å; Y377-A383 HydrophobicContact CE1-CB 4.22Å; S380-A383 WeakPolarHBondContact O-CB 3.43Å; S380-A383 PolarHBondContact O-N 2.69Å; P381-A383 PolarHBondContact O-N 2.91Å; A383-K385 PolarHBondContact O-N 3.06Å; A383-V386 PolarHBondContact O-N 3.18Å
384	L	92.6	Very high	93.2	Very high	85 Å²	85	61.1 Å²	61.1	45%	0.445	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-66.3	-25.9	176.6	-72.3	171.1	0	0	0	112.9	R362 Y377 P381 A382 V386	R362-L384 PolarHBondContact NH1-O 3.05Å; Y377-L384 HydrophobicContact CD1-CD1 4.4Å; Y377-L384 HydrophobicContact CD1-CD2 3.54Å; Y377-L384 HydrophobicContact CD1-CG 3.55Å; Y377-L384 HydrophobicContact CD2-CD2 3.96Å; Y377-L384 HydrophobicContact CE1-CD2 3.68Å; Y377-L384 HydrophobicContact CE1-CG 4.08Å; Y377-L384 HydrophobicContact CE2-CD2 4.09Å; Y377-L384 HydrophobicContact CG-CD1 4.27Å; Y377-L384 HydrophobicContact CG-CD2 3.7Å; Y377-L384 HydrophobicContact CG-CG 3.85Å; P381-L384 PolarHBondContact O-N 3.47Å; A382-L384 VanDerWaalsContact C-N 3.27Å; A382-L384 PolarHBondContact O-N 2.95Å; L384-V386 VanDerWaalsContact C-N 3.34Å
385	K	92.5	Very high	93.4	Very high	189 Å²	189	62.9 Å²	62.9	82%	0.822	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-83.4	-12.5	-179.1	-58.6	-177.3	-178.5	-178.7	0	113	A382 A383	A382-K385 PolarHBondContact O-N 3.33Å; A382-K385 VanDerWaalsContact O-N 3.15Å; A383-K385 PolarHBondContact O-N 3.06Å
386	V	92.8	Very high	93.7	Very high	13 Å²	13	68.4 Å²	68.4	8%	0.079	37%	0.367	C	S	.	.	S	Bend	trans	-95.8	130.9	-177.1	179	0	0	0	0	109.7	N355 R362 A383 L384 A388	N355-V386 HydrophobicContact CB-CG1 4.42Å; N355-V386 VanDerWaalsContact O-CG1 3.32Å; N355-V386 WeakPolarHBondContact O-CG1 3.39Å; R362-V386 WeakPolarHBondContact CD-O 3.45Å; R362-V386 PolarHBondContact NH1-O 3.25Å; A383-V386 PolarHBondContact O-N 3.18Å; L384-V386 VanDerWaalsContact C-N 3.34Å; V386-A388 PolarHBondContact O-N 3.4Å
387	D	92.4	Very high	93.9	Very high	133 Å²	133	66.8 Å²	66.8	71%	0.711	36%	0.36	S	S	*	.			trans	-70.1	121.3	171.8	179.8	20.3	0	0	0	110.6	G389	D387-G389 PolarHBondContact OD1-N 3Å
388	A	93.8	Very high	94.2	Very high	10 Å²	10	67.5 Å²	67.5	8%	0.083	36%	0.363	C	S	.	.			trans	-90.2	-5.7	178.8	0	0	0	0	0	113.2	R362 R363 V386 Y391	R362-A388 HydrophobicContact CB-CB 4.05Å; R362-A388 HydrophobicContact CG-CB 3.71Å; R363-A388 WeakPolarHBondContact CD-O 3.27Å; R363-A388 HydrophobicContact CG-CB 3.84Å; R363-A388 WeakPolarHBondContact CG-O 3.44Å; R363-A388 PolarHBondContact NH1-O 3.34Å; V386-A388 PolarHBondContact O-N 3.4Å; A388-Y391 HydrophobicContact CB-CD1 4.45Å; A388-Y391 HydrophobicContact CB-CE1 4.43Å
389	G	94.8	Very high	94.6	Very high	37 Å²	37	69.9 Å²	69.9	38%	0.381	38%	0.383	S	S	.	.			trans	64.3	-169.7	-172.7	0	0	0	0	0	113.2	D387 Y391	D387-G389 PolarHBondContact OD1-N 3Å; G389-Y391 VanDerWaalsContact O-CD1 3.3Å; G389-Y391 WeakPolarHBondContact O-CD1 3.21Å
390	D	96.8	Very high	95.1	Very high	110 Å²	110	74.7 Å²	74.7	59%	0.588	38%	0.384	S	S	*	.			trans	-75.2	126.1	179.6	179.7	31.9	0	0	0	112.1	R363 S392	R363-D390 PolarHBondContact NH1-O 3.47Å; R363-D390 PolarHBondContact NH2-O 2.83Å; D390-S392 VanDerWaalsContact CG-OG 3.28Å; D390-S392 WeakPolarHBondContact OD1-CB 3.36Å; D390-S392 PolarHBondContact OD1-N 3.4Å; D390-S392 PolarHBondContact OD1-OG 3.11Å; D390-S392 PolarHBondContact OD2-OG 3.43Å
391	Y	96.9	Very high	95.4	Very high	55 Å²	55	76 Å²	76	22%	0.216	39%	0.388	C	S	.	.			trans	-120.6	13.1	174.3	48.6	-100.5	0	0	0	112.4	E366 V367 A388 G389 K393 R394 Q395	E366-Y391 HydrophobicContact CB-CD2 4.32Å; E366-Y391 HydrophobicContact CB-CE1 4.1Å; E366-Y391 HydrophobicContact CB-CE2 3.8Å; E366-Y391 HydrophobicContact CG-CE1 4.1Å; E366-Y391 HydrophobicContact CG-CE2 4.49Å; V367-Y391 HydrophobicContact CG2-CD2 4.03Å; V367-Y391 HydrophobicContact CG2-CG 4.2Å; A388-Y391 HydrophobicContact CB-CD1 4.45Å; A388-Y391 HydrophobicContact CB-CE1 4.43Å; G389-Y391 VanDerWaalsContact O-CD1 3.3Å; G389-Y391 WeakPolarHBondContact O-CD1 3.21Å; Y391-K393 VanDerWaalsContact C-N 3.27Å; Y391-K393 PolarHBondContact O-N 3.25Å; Y391-R394 WeakPolarHBondContact O-CB 3.5Å; Y391-R394 PolarHBondContact O-N 3.49Å; Y391-Q395 HydrophobicContact CD2-CG 4.12Å; Y391-Q395 PolarHBondContact O-N 2.93Å; Y391-Q395 VanDerWaalsContact O-N 3.15Å
392	S	97.8	Very high	95.7	Very high	35 Å²	35	75.2 Å²	75.2	25%	0.245	39%	0.394	C	S	.	.	H	α-helix	trans	-55.8	-38.6	180	67.9	0	0	0	0	112.9	D390 R394 Q395 K396	D390-S392 VanDerWaalsContact CG-OG 3.28Å; D390-S392 WeakPolarHBondContact OD1-CB 3.36Å; D390-S392 PolarHBondContact OD1-N 3.4Å; D390-S392 PolarHBondContact OD1-OG 3.11Å; D390-S392 PolarHBondContact OD2-OG 3.43Å; S392-R394 VanDerWaalsContact C-N 3.27Å; S392-R394 PolarHBondContact O-N 3.34Å; S392-Q395 PolarHBondContact O-N 3.19Å; S392-K396 WeakPolarHBondContact O-CG 3.27Å; S392-K396 PolarHBondContact O-N 2.9Å
393	K	97.4	Very high	96.1	Very high	163 Å²	163	74.2 Å²	74.2	71%	0.709	38%	0.384	S	S	*	.	H	α-helix	trans	-59.4	-37.7	175.4	-68.9	-176.1	-178.8	177.8	0	112.2	Y391 L397	Y391-K393 VanDerWaalsContact C-N 3.27Å; Y391-K393 PolarHBondContact O-N 3.25Å; K393-L397 WeakPolarHBondContact O-CB 3.26Å; K393-L397 PolarHBondContact O-N 3.1Å
394	R	98.1	Very high	96.3	Very high	20 Å²	20	78.8 Å²	78.8	8%	0.075	41%	0.405	C	S	.	.	H	α-helix	trans	-74.8	-37.9	-179.8	-55.8	-54.5	-63.5	179.3	-4.5	111.7	G302 D305 E317 V367 Y391 S392 L397 R398	G302-R394 PolarHBondContact O-NH1 3.31Å; D305-R394 HydrophobicContact CB-CG 4.26Å; D305-R394 WeakPolarHBondContact OD1-CD 3.32Å; E317-R394 IonicContact OE1-CZ 3.87Å; E317-R394 IonicContact OE1-NE 3.44Å; E317-R394 IonicContact OE1-NH2 3.76Å; E317-R394 PolarHBondContact OE1-NH2 2.91Å; E317-R394 IonicContact OE2-NH2 2.79Å; V367-R394 HydrophobicContact CG1-CB 3.91Å; V367-R394 HydrophobicContact CG2-CB 3.87Å; Y391-R394 WeakPolarHBondContact O-CB 3.5Å; Y391-R394 PolarHBondContact O-N 3.49Å; S392-R394 VanDerWaalsContact C-N 3.27Å; S392-R394 PolarHBondContact O-N 3.34Å; R394-L397 WeakPolarHBondContact O-CB 3.36Å; R394-L397 PolarHBondContact O-N 3.5Å; R394-R398 PolarHBondContact O-N 2.84Å
395	Q	97.8	Very high	96.6	Very high	86 Å²	86	77.3 Å²	77.3	40%	0.402	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-47.3	171.7	-68.1	179.1	-34.6	0	0	111.5	V367 Y391 S392 L397 R398 S399	V367-Q395 HydrophobicContact CG2-CG 4.26Å; Y391-Q395 HydrophobicContact CD2-CG 4.12Å; Y391-Q395 PolarHBondContact O-N 2.93Å; Y391-Q395 VanDerWaalsContact O-N 3.15Å; S392-Q395 PolarHBondContact O-N 3.19Å; Q395-L397 VanDerWaalsContact C-N 3.3Å; Q395-L397 PolarHBondContact O-N 2.63Å; Q395-R398 WeakPolarHBondContact O-CB 3.3Å; Q395-R398 PolarHBondContact O-N 2.93Å; Q395-R398 VanDerWaalsContact O-N 3.16Å; Q395-S399 PolarHBondContact O-N 3.2Å; Q395-S399 PolarHBondContact O-OG 2.92Å
396	K	98.1	Very high	96.9	Very high	150 Å²	150	68.7 Å²	68.7	65%	0.652	36%	0.363	S	S	*	.	H	α-helix	trans	-59.4	-40.3	175.3	-72.3	175.7	-178.1	177.5	0	112.2	S392 S399 R400	S392-K396 WeakPolarHBondContact O-CG 3.27Å; S392-K396 PolarHBondContact O-N 2.9Å; K396-S399 PolarHBondContact O-N 2.87Å; K396-R400 VanDerWaalsContact O-CB 3.28Å; K396-R400 WeakPolarHBondContact O-CB 3.33Å; K396-R400 PolarHBondContact O-N 2.89Å
397	L	97.9	Very high	97.1	Very high	12 Å²	12	72.5 Å²	72.5	6%	0.063	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-48.6	174.3	175.4	67.9	0	0	0	111.4	K393 R394 Q395 S399 R400 L401	K393-L397 WeakPolarHBondContact O-CB 3.26Å; K393-L397 PolarHBondContact O-N 3.1Å; R394-L397 WeakPolarHBondContact O-CB 3.36Å; R394-L397 PolarHBondContact O-N 3.5Å; Q395-L397 VanDerWaalsContact C-N 3.3Å; Q395-L397 PolarHBondContact O-N 2.63Å; L397-S399 VanDerWaalsContact C-N 3.31Å; L397-S399 PolarHBondContact O-N 2.97Å; L397-R400 PolarHBondContact O-N 2.57Å; L397-L401 HydrophobicContact CD1-CD1 3.78Å; L397-L401 HydrophobicContact CD1-CG 4.09Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 3.34Å
398	R	98.2	Very high	97.3	Very high	36 Å²	36	69.3 Å²	69.3	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-57.7	-44.2	177.7	-174.6	178.8	177.2	-157.7	-6.4	111.7	V367 W368 D370 R394 Q395 G402 C403 K404	V367-R398 VanDerWaalsContact O-CD 3.28Å; V367-R398 WeakPolarHBondContact O-CD 3.47Å; V367-R398 PolarHBondContact O-NH1 3.31Å; W368-R398 HydrophobicContact CE3-CG 4.31Å; W368-R398 HydrophobicContact CH2-CB 4.03Å; W368-R398 HydrophobicContact CH2-CG 4.03Å; W368-R398 HydrophobicContact CZ3-CB 4.21Å; W368-R398 HydrophobicContact CZ3-CG 3.69Å; D370-R398 VanDerWaalsContact CG-NH2 3.32Å; D370-R398 IonicContact OD1-CZ 3.33Å; D370-R398 IonicContact OD1-NH1 3.81Å; D370-R398 PolarHBondContact OD1-NH1 3.44Å; D370-R398 IonicContact OD1-NH2 2.69Å; D370-R398 PolarHBondContact OD1-NH2 3.47Å; D370-R398 IonicContact OD2-NH2 2.67Å; D370-R398 PolarHBondContact OD2-NH2 3.39Å; R394-R398 PolarHBondContact O-N 2.84Å; Q395-R398 WeakPolarHBondContact O-CB 3.3Å; Q395-R398 PolarHBondContact O-N 2.93Å; Q395-R398 VanDerWaalsContact O-N 3.16Å; R398-G402 PolarHBondContact O-N 3.43Å; R398-C403 HydrophobicContact CG-CB 3.82Å; R398-C403 PolarHBondContact O-N 2.94Å; R398-C403 PolarHBondContact O-SG 3.3Å; R398-C403 VanDerWaalsContact O-SG 3.39Å; R398-K404 PolarHBondContact NH2-O 3.48Å
399	S	97.8	Very high	97.5	Very high	97 Å²	97	69 Å²	69	68%	0.678	35%	0.351	S	S	*	.	H	α-helix	trans	-64.6	-45.7	175.6	-57.6	0	0	0	0	112.3	Q395 K396 L397 L401 G402	Q395-S399 PolarHBondContact O-N 3.2Å; Q395-S399 PolarHBondContact O-OG 2.92Å; K396-S399 PolarHBondContact O-N 2.87Å; L397-S399 VanDerWaalsContact C-N 3.31Å; L397-S399 PolarHBondContact O-N 2.97Å; S399-L401 VanDerWaalsContact C-N 3.32Å; S399-L401 PolarHBondContact O-N 3.36Å; S399-G402 PolarHBondContact O-N 3.46Å; S399-G402 VanDerWaalsContact O-N 3.11Å
400	R	97.7	Very high	97.6	Very high	184 Å²	184	67.4 Å²	67.4	69%	0.694	33%	0.334	S	S	*	.	H	α-helix	trans	-61.2	-39.1	-178.8	-177.7	-179.4	68.7	-179.5	5.4	112.7	K396 L397 G402	K396-R400 VanDerWaalsContact O-CB 3.28Å; K396-R400 WeakPolarHBondContact O-CB 3.33Å; K396-R400 PolarHBondContact O-N 2.89Å; L397-R400 PolarHBondContact O-N 2.57Å; R400-G402 PolarHBondContact O-N 3.39Å
401	L	96.6	Very high	97.6	Very high	61 Å²	61	65.8 Å²	65.8	32%	0.319	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3	179.6	-68.4	177	0	0	0	113.2	C325 L397 S399 C403	C325-L401 HydrophobicContact CB-CB 4.48Å; C325-L401 HydrophobicContact CB-CD1 4.31Å; L397-L401 HydrophobicContact CD1-CD1 3.78Å; L397-L401 HydrophobicContact CD1-CG 4.09Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 3.34Å; S399-L401 VanDerWaalsContact C-N 3.32Å; S399-L401 PolarHBondContact O-N 3.36Å; L401-C403 VanDerWaalsContact C-N 3.26Å; L401-C403 WeakPolarHBondContact CB-SG 3.35Å; L401-C403 PolarHBondContact O-N 3.31Å
402	G	97.2	Very high	97.6	Very high	62 Å²	62	67.7 Å²	67.7	64%	0.639	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	34.1	-178.1	0	0	0	0	0	113.1	R398 S399 R400	R398-G402 PolarHBondContact O-N 3.43Å; S399-G402 PolarHBondContact O-N 3.46Å; S399-G402 VanDerWaalsContact O-N 3.11Å; R400-G402 PolarHBondContact O-N 3.39Å
403	C	97.8	Very high	97.4	Very high	20 Å²	20	67.1 Å²	67.1	14%	0.135	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.5	145.9	-174	-47.9	0	0	0	0	111.7	T324 C325 W368 R398 L401	T324-C403 CarbonylContact O-C 3.36Å; T324-C403 VanDerWaalsContact O-CA 3.29Å; T324-C403 WeakPolarHBondContact O-CA 3.28Å; C325-C403 HydrophobicContact CB-CB 4.03Å; C325-C403 WeakPolarHBondContact CB-SG 3.43Å; C325-C403 WeakPolarHBondContact SG-CB 3.36Å; C325-C403 CovalentContact SG-SG 2.04Å; C325-C403 PolarHBondContact SG-SG 2.96Å; W368-C403 HydrophobicContact CZ3-CB 4.34Å; R398-C403 HydrophobicContact CG-CB 3.82Å; R398-C403 PolarHBondContact O-N 2.94Å; R398-C403 PolarHBondContact O-SG 3.3Å; R398-C403 VanDerWaalsContact O-SG 3.39Å; L401-C403 VanDerWaalsContact C-N 3.26Å; L401-C403 WeakPolarHBondContact CB-SG 3.35Å; L401-C403 PolarHBondContact O-N 3.31Å
404	K	98.4	Very high	97.4	Very high	97 Å²	97	64 Å²	64	42%	0.422	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.6	166.1	-179.4	-56.5	-179	-172.1	-68.5	0	111.9	T324 R398 W408	T324-K404 PolarHBondContact O-N 3.09Å; R398-K404 PolarHBondContact NH2-O 3.48Å; K404-W408 HydrophobicContact CB-CB 4.09Å; K404-W408 HydrophobicContact CB-CD2 3.87Å; K404-W408 HydrophobicContact CB-CE3 3.79Å; K404-W408 HydrophobicContact CB-CG 3.97Å; K404-W408 HydrophobicContact CD-CD2 3.21Å; K404-W408 HydrophobicContact CD-CE3 3.53Å; K404-W408 HydrophobicContact CD-CG 3.73Å; K404-W408 HydrophobicContact CD-CH2 3.82Å; K404-W408 HydrophobicContact CD-CZ2 3.53Å; K404-W408 HydrophobicContact CD-CZ3 3.82Å; K404-W408 HydrophobicContact CG-CD2 4.16Å; K404-W408 HydrophobicContact CG-CE3 4.29Å; K404-W408 HydrophobicContact CG-CG 4.42Å
405	S	98.1	Very high	97.1	Very high	53 Å²	53	66.3 Å²	66.3	37%	0.371	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-73	159.5	176.6	63.7	0	0	0	0	111.9	D370 R407 W408 Y409	D370-S405 WeakPolarHBondContact OD2-CA 3.17Å; S405-R407 PolarHBondContact O-N 2.92Å; S405-W408 WeakPolarHBondContact O-CB 3.37Å; S405-W408 PolarHBondContact O-N 2.79Å; S405-W408 VanDerWaalsContact O-N 3.17Å; S405-W408 PolarHBondContact OG-N 2.83Å; S405-Y409 PolarHBondContact O-N 3.3Å
406	F	98.1	Very high	96.7	Very high	8 Å²	8	69 Å²	69	4%	0.035	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-28.5	171.9	-160.7	-105.6	0	0	0	112	F320 W368 L369 D370 Y372 W408 Y409 L410	F320-F406 AromaticContact CD1-CE2 3.91Å; F320-F406 HydrophobicContact CD1-CE2 3.91Å; F320-F406 HydrophobicContact CD2-CE2 4.32Å; F320-F406 AromaticContact CE1-CE2 3.92Å; F320-F406 HydrophobicContact CE1-CE2 3.92Å; F320-F406 HydrophobicContact CE1-CZ 4.26Å; F320-F406 HydrophobicContact CE2-CE2 4.33Å; F320-F406 HydrophobicContact CG-CE2 4.12Å; F320-F406 HydrophobicContact CZ-CE2 4.14Å; F320-F406 HydrophobicContact CZ-CZ 4.3Å; W368-F406 WeakPolarHBondContact O-CB 2.95Å; W368-F406 VanDerWaalsContact O-CD2 3.25Å; W368-F406 WeakPolarHBondContact O-CD2 3.49Å; L369-F406 HydrophobicContact CD2-CD1 4.12Å; L369-F406 HydrophobicContact CD2-CD2 3.7Å; L369-F406 HydrophobicContact CD2-CE1 3.73Å; L369-F406 HydrophobicContact CD2-CE2 3.29Å; L369-F406 HydrophobicContact CD2-CG 4.11Å; L369-F406 HydrophobicContact CD2-CZ 3.3Å; D370-F406 HydrophobicContact CB-CB 4.33Å; D370-F406 PolarHBondContact OD2-N 3.01Å; Y372-F406 HydrophobicContact CD2-CB 4.12Å; Y372-F406 AromaticContact CD2-CD1 3.69Å; Y372-F406 HydrophobicContact CD2-CD1 3.69Å; Y372-F406 HydrophobicContact CD2-CG 4.39Å; Y372-F406 HydrophobicContact CE2-CD1 4.4Å; Y372-F406 AromaticContact CG-CD1 3.86Å; Y372-F406 HydrophobicContact CG-CD1 3.86Å; Y372-F406 HydrophobicContact CG-CE1 4.48Å; F406-W408 VanDerWaalsContact C-N 3.34Å; F406-W408 PolarHBondContact O-N 2.88Å; F406-Y409 HydrophobicContact CD2-CD1 4.17Å; F406-Y409 HydrophobicContact CD2-CG 4.43Å; F406-Y409 HydrophobicContact CE1-CD1 4.49Å; F406-Y409 AromaticContact CE2-CD1 3.61Å; F406-Y409 HydrophobicContact CE2-CD1 3.61Å; F406-Y409 HydrophobicContact CE2-CE1 4.01Å; F406-Y409 HydrophobicContact CE2-CG 4.21Å; F406-Y409 AromaticContact CZ-CD1 3.81Å; F406-Y409 HydrophobicContact CZ-CD1 3.81Å; F406-Y409 HydrophobicContact CZ-CE1 4.03Å; F406-Y409 WeakPolarHBondContact O-CB 3.43Å; F406-Y409 PolarHBondContact O-N 3.35Å; F406-L410 HydrophobicContact CD1-CD1 4.12Å; F406-L410 HydrophobicContact CD1-CG 4.17Å; F406-L410 HydrophobicContact CE1-CD1 4.05Å; F406-L410 HydrophobicContact CE1-CD2 4.04Å; F406-L410 HydrophobicContact CE1-CG 3.95Å; F406-L410 HydrophobicContact CZ-CD2 4.47Å; F406-L410 PolarHBondContact O-N 3.32Å
407	R	97.2	Very high	96.3	Very high	94 Å²	94	62.8 Å²	62.8	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-56.9	-48.4	169.3	179.5	176.5	175	111.8	10.5	111.2	Y372 S405 Y409 L410 E411 I421 T422	Y372-R407 HydrophobicContact CE2-CB 3.95Å; Y372-R407 WeakPolarHBondContact OH-CB 3.39Å; Y372-R407 WeakPolarHBondContact OH-CG 3.38Å; S405-R407 PolarHBondContact O-N 2.92Å; R407-Y409 VanDerWaalsContact C-N 3.26Å; R407-Y409 PolarHBondContact O-N 3.38Å; R407-L410 PolarHBondContact O-N 3.34Å; R407-E411 IonicContact CZ-OE1 2.73Å; R407-E411 IonicContact NE-OE1 3.19Å; R407-E411 PolarHBondContact NE-OE1 3.02Å; R407-E411 IonicContact NH2-OE1 2.69Å; R407-E411 PolarHBondContact NH2-OE1 3.41Å; R407-E411 WeakPolarHBondContact O-CG 3.48Å; R407-E411 PolarHBondContact O-N 3.2Å; R407-I421 HydrophobicContact CG-CG2 4.46Å; R407-I421 PolarHBondContact NH1-O 3.32Å; R407-T422 PolarHBondContact NH1-OG1 3.29Å; R407-T422 VanDerWaalsContact NH1-OG1 3.1Å; R407-T422 PolarHBondContact NH2-OG1 2.85Å
408	W	97.8	Very high	95.6	Very high	65 Å²	65	65.1 Å²	65.1	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-39.8	176.6	175.4	91	0	0	0	111.5	W323 K404 S405 F406 E411 N412 V413	W323-W408 WeakPolarHBondContact O-CZ3 3.49Å; K404-W408 HydrophobicContact CB-CB 4.09Å; K404-W408 HydrophobicContact CB-CD2 3.87Å; K404-W408 HydrophobicContact CB-CE3 3.79Å; K404-W408 HydrophobicContact CB-CG 3.97Å; K404-W408 HydrophobicContact CD-CD2 3.21Å; K404-W408 HydrophobicContact CD-CE3 3.53Å; K404-W408 HydrophobicContact CD-CG 3.73Å; K404-W408 HydrophobicContact CD-CH2 3.82Å; K404-W408 HydrophobicContact CD-CZ2 3.53Å; K404-W408 HydrophobicContact CD-CZ3 3.82Å; K404-W408 HydrophobicContact CG-CD2 4.16Å; K404-W408 HydrophobicContact CG-CE3 4.29Å; K404-W408 HydrophobicContact CG-CG 4.42Å; S405-W408 WeakPolarHBondContact O-CB 3.37Å; S405-W408 PolarHBondContact O-N 2.79Å; S405-W408 VanDerWaalsContact O-N 3.17Å; S405-W408 PolarHBondContact OG-N 2.83Å; F406-W408 VanDerWaalsContact C-N 3.34Å; F406-W408 PolarHBondContact O-N 2.88Å; W408-E411 PolarHBondContact O-N 2.95Å; W408-N412 HydrophobicContact CD2-CB 4.23Å; W408-N412 HydrophobicContact CH2-CB 4.44Å; W408-N412 HydrophobicContact CZ2-CB 3.89Å; W408-N412 PolarHBondContact NE1-ND2 3.25Å; W408-N412 WeakPolarHBondContact O-CB 3.19Å; W408-N412 PolarHBondContact O-N 3.11Å; W408-N412 PolarHBondContact O-ND2 3.36Å; W408-V413 HydrophobicContact CH2-CG2 4.06Å; W408-V413 HydrophobicContact CZ3-CG2 3.86Å
409	Y	98.1	Very high	95.2	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-46	176	171.3	-89.5	0	0	0	111.9	P284 F320 W323 S405 F406 R407 E411 V413 Y414	P284-Y409 VanDerWaalsContact CB-OH 3.26Å; P284-Y409 WeakPolarHBondContact CB-OH 3.16Å; P284-Y409 PolarHBondContact O-OH 3.09Å; P284-Y409 VanDerWaalsContact O-OH 3.07Å; F320-Y409 HydrophobicContact CD1-CE1 4.18Å; F320-Y409 HydrophobicContact CD1-CE2 4.07Å; F320-Y409 AromaticContact CD1-CZ 3.81Å; F320-Y409 HydrophobicContact CE1-CE1 4.01Å; F320-Y409 AromaticContact CE1-CZ 3.85Å; W323-Y409 HydrophobicContact CB-CD2 3.79Å; W323-Y409 HydrophobicContact CB-CE2 3.97Å; W323-Y409 AromaticContact CD1-CE2 3.77Å; W323-Y409 HydrophobicContact CG-CD2 4.24Å; W323-Y409 AromaticContact CG-CE2 4Å; W323-Y409 HydrophobicContact CG-CE2 4Å; S405-Y409 PolarHBondContact O-N 3.3Å; F406-Y409 HydrophobicContact CD2-CD1 4.17Å; F406-Y409 HydrophobicContact CD2-CG 4.43Å; F406-Y409 HydrophobicContact CE1-CD1 4.49Å; F406-Y409 AromaticContact CE2-CD1 3.61Å; F406-Y409 HydrophobicContact CE2-CD1 3.61Å; F406-Y409 HydrophobicContact CE2-CE1 4.01Å; F406-Y409 HydrophobicContact CE2-CG 4.21Å; F406-Y409 AromaticContact CZ-CD1 3.81Å; F406-Y409 HydrophobicContact CZ-CD1 3.81Å; F406-Y409 HydrophobicContact CZ-CE1 4.03Å; F406-Y409 WeakPolarHBondContact O-CB 3.43Å; F406-Y409 PolarHBondContact O-N 3.35Å; R407-Y409 VanDerWaalsContact C-N 3.26Å; R407-Y409 PolarHBondContact O-N 3.38Å; Y409-E411 PolarHBondContact O-N 2.95Å; Y409-V413 HydrophobicContact CD2-CB 3.8Å; Y409-V413 HydrophobicContact CD2-CG1 4.01Å; Y409-V413 HydrophobicContact CD2-CG2 4.02Å; Y409-V413 HydrophobicContact CE2-CB 3.93Å; Y409-V413 HydrophobicContact CE2-CG1 3.64Å; Y409-V413 HydrophobicContact CE2-CG2 4.48Å; Y409-V413 HydrophobicContact CG-CB 4.35Å; Y409-V413 WeakPolarHBondContact O-CA 3.22Å; Y409-V413 VanDerWaalsContact O-CB 3.29Å; Y409-V413 WeakPolarHBondContact O-CB 3.47Å; Y409-V413 PolarHBondContact O-N 2.83Å; Y409-Y414 PolarHBondContact O-N 3.09Å
410	L	96.5	Very high	94.7	Very high	3 Å²	3	62 Å²	62	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-39.8	175.9	-67.1	175.6	0	0	0	112	Y372 F406 R407 Y414 P415 I419 I421	Y372-L410 HydrophobicContact CD1-CD1 3.82Å; Y372-L410 HydrophobicContact CE1-CD1 3.56Å; Y372-L410 HydrophobicContact CE2-CD1 4.42Å; Y372-L410 HydrophobicContact CG-CD1 4.35Å; F406-L410 HydrophobicContact CD1-CD1 4.12Å; F406-L410 HydrophobicContact CD1-CG 4.17Å; F406-L410 HydrophobicContact CE1-CD1 4.05Å; F406-L410 HydrophobicContact CE1-CD2 4.04Å; F406-L410 HydrophobicContact CE1-CG 3.95Å; F406-L410 HydrophobicContact CZ-CD2 4.47Å; F406-L410 PolarHBondContact O-N 3.32Å; R407-L410 PolarHBondContact O-N 3.34Å; L410-Y414 CarbonylContact O-C 3.59Å; L410-P415 WeakPolarHBondContact O-CA 3.39Å; L410-I419 HydrophobicContact CD1-CB 4.32Å; L410-I419 HydrophobicContact CD1-CG2 3.85Å; L410-I419 HydrophobicContact CD2-CB 4.5Å; L410-I421 HydrophobicContact CB-CG1 4.29Å
411	E	96.2	Very high	94.3	Very high	77 Å²	77	55.8 Å²	55.8	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-71.7	-34.7	-179.3	-74.1	170.5	169.4	0	0	113.6	R407 W408 Y409 I421	R407-E411 IonicContact CZ-OE1 2.73Å; R407-E411 IonicContact NE-OE1 3.19Å; R407-E411 PolarHBondContact NE-OE1 3.02Å; R407-E411 IonicContact NH2-OE1 2.69Å; R407-E411 PolarHBondContact NH2-OE1 3.41Å; R407-E411 WeakPolarHBondContact O-CG 3.48Å; R407-E411 PolarHBondContact O-N 3.2Å; W408-E411 PolarHBondContact O-N 2.95Å; Y409-E411 PolarHBondContact O-N 2.95Å; E411-I421 HydrophobicContact CG-CD1 4Å; E411-I421 HydrophobicContact CG-CG1 4.24Å; E411-I421 HydrophobicContact CG-CG2 3.52Å; E411-I421 VanDerWaalsContact OE1-CG2 3.27Å; E411-I421 WeakPolarHBondContact OE1-CG2 3.37Å
412	N	96.3	Very high	94	Very high	95 Å²	95	55.7 Å²	55.7	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-114.1	-22.8	-166.3	-64.1	-97.5	0	0	0	114.2	W408	W408-N412 HydrophobicContact CD2-CB 4.23Å; W408-N412 HydrophobicContact CH2-CB 4.44Å; W408-N412 HydrophobicContact CZ2-CB 3.89Å; W408-N412 PolarHBondContact NE1-ND2 3.25Å; W408-N412 WeakPolarHBondContact O-CB 3.19Å; W408-N412 PolarHBondContact O-N 3.11Å; W408-N412 PolarHBondContact O-ND2 3.36Å
413	V	95	Very high	93.6	Very high	23 Å²	23	54.8 Å²	54.8	14%	0.139	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-41.4	-175.3	-178	0	0	0	0	111.6	P284 W323 W408 Y409 P415	P284-V413 HydrophobicContact CB-CG1 4.39Å; W323-V413 HydrophobicContact CB-CG2 4.26Å; W323-V413 HydrophobicContact CD2-CB 4.34Å; W323-V413 HydrophobicContact CD2-CG1 3.56Å; W323-V413 HydrophobicContact CD2-CG2 3.77Å; W323-V413 VanDerWaalsContact CE2-CG1 3.5Å; W323-V413 HydrophobicContact CE3-CG1 4.11Å; W323-V413 HydrophobicContact CE3-CG2 3.61Å; W323-V413 HydrophobicContact CG-CG1 3.8Å; W323-V413 HydrophobicContact CG-CG2 4.09Å; W323-V413 HydrophobicContact CZ2-CG1 4.02Å; W323-V413 HydrophobicContact CZ3-CG2 4.22Å; W408-V413 HydrophobicContact CH2-CG2 4.06Å; W408-V413 HydrophobicContact CZ3-CG2 3.86Å; Y409-V413 HydrophobicContact CD2-CB 3.8Å; Y409-V413 HydrophobicContact CD2-CG1 4.01Å; Y409-V413 HydrophobicContact CD2-CG2 4.02Å; Y409-V413 HydrophobicContact CE2-CB 3.93Å; Y409-V413 HydrophobicContact CE2-CG1 3.64Å; Y409-V413 HydrophobicContact CE2-CG2 4.48Å; Y409-V413 HydrophobicContact CG-CB 4.35Å; Y409-V413 WeakPolarHBondContact O-CA 3.22Å; Y409-V413 VanDerWaalsContact O-CB 3.29Å; Y409-V413 WeakPolarHBondContact O-CB 3.47Å; Y409-V413 PolarHBondContact O-N 2.83Å; V413-P415 VanDerWaalsContact C-CD 3.48Å
414	Y	95.6	Very high	93.1	Very high	96 Å²	96	61.2 Å²	61.2	38%	0.376	30%	0.295	S	S	.	.			trans	-133.8	60.3	-179.4	-165.1	-159.7	0	0	0	113.9	P284 Y409 L410 E416 S417	P284-Y414 HydrophobicContact CB-CD1 4.17Å; P284-Y414 HydrophobicContact CB-CD2 4.47Å; P284-Y414 HydrophobicContact CB-CG 3.96Å; P284-Y414 HydrophobicContact CG-CD1 4.35Å; P284-Y414 HydrophobicContact CG-CD2 3.8Å; P284-Y414 HydrophobicContact CG-CE2 4.41Å; P284-Y414 HydrophobicContact CG-CG 3.77Å; Y409-Y414 PolarHBondContact O-N 3.09Å; L410-Y414 CarbonylContact O-C 3.59Å; Y414-E416 HydrophobicContact CD2-CB 4.39Å; Y414-E416 HydrophobicContact CE2-CB 4.17Å; Y414-E416 PolarHBondContact O-N 3.47Å; Y414-S417 WeakPolarHBondContact O-CB 3.35Å; Y414-S417 PolarHBondContact O-N 2.93Å; Y414-S417 VanDerWaalsContact O-N 3.13Å
415	P	92.4	Very high	92.6	Very high	69 Å²	69	58.8 Å²	58.8	45%	0.448	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19	-179.7	28.3	-35.7	0	0	0	113.6	L410 V413 S417	L410-P415 WeakPolarHBondContact O-CA 3.39Å; V413-P415 VanDerWaalsContact C-CD 3.48Å; P415-S417 PolarHBondContact O-N 2.81Å
416	E	89.7	Confident	92.2	Very high	142 Å²	142	58.4 Å²	58.4	66%	0.664	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.5	175.9	-51	83.5	175.3	0	0	113.2	Y414	Y414-E416 HydrophobicContact CD2-CB 4.39Å; Y414-E416 HydrophobicContact CE2-CB 4.17Å; Y414-E416 PolarHBondContact O-N 3.47Å
417	S	89.1	Confident	91.7	Very high	21 Å²	21	59.1 Å²	59.1	15%	0.147	29%	0.294	C	S	.	.			trans	-59.5	145.4	177.5	-179.6	0	0	0	0	112.3	Y414 P415 I419	Y414-S417 WeakPolarHBondContact O-CB 3.35Å; Y414-S417 PolarHBondContact O-N 2.93Å; Y414-S417 VanDerWaalsContact O-N 3.13Å; P415-S417 PolarHBondContact O-N 2.81Å; S417-I419 PolarHBondContact O-N 2.98Å; S417-I419 PolarHBondContact OG-N 3.25Å
418	N	84.9	Confident	91.2	Very high	60 Å²	60	59.4 Å²	59.4	32%	0.321	30%	0.298	S	S	.	.	S	Bend	trans	-73.2	-9.3	173.3	-72.4	-34.9	0	0	0	113.7	R451 E454	N418-R451 PolarHBondContact O-NH2 3.44Å; N418-R451 PolarHBondContact OD1-NH2 3.4Å; N418-E454 WeakPolarHBondContact ND2-CG 3.46Å; N418-E454 PolarHBondContact ND2-OE1 2.78Å
419	I	88.2	Confident	90.3	Very high	53 Å²	53	60 Å²	60	27%	0.272	31%	0.308	S	S	.	.	S	Bend	trans	-76.6	124	176.2	-60	177	0	0	0	108.8	Y372 F375 L410 S417 I421	Y372-I419 HydrophobicContact CD1-CG2 3.7Å; Y372-I419 HydrophobicContact CE1-CG2 4.18Å; F375-I419 HydrophobicContact CD2-CG2 4.26Å; F375-I419 HydrophobicContact CE2-CG2 4.24Å; F375-I419 HydrophobicContact CG-CG2 4.47Å; F375-I419 HydrophobicContact CZ-CG2 4.43Å; L410-I419 HydrophobicContact CD1-CB 4.32Å; L410-I419 HydrophobicContact CD1-CG2 3.85Å; L410-I419 HydrophobicContact CD2-CB 4.5Å; S417-I419 PolarHBondContact O-N 2.98Å; S417-I419 PolarHBondContact OG-N 3.25Å; I419-I421 PolarHBondContact O-N 3.18Å
420	P	88.1	Confident	89.5	Confident	14 Å²	14	63.9 Å²	63.9	9%	0.091	33%	0.329	C	S	.	.			trans	-65.9	130.1	178.8	27.9	-34.7	0	0	0	111	F375 T422 T445	F375-P420 HydrophobicContact CE1-CG 4.04Å; F375-P420 HydrophobicContact CZ-CG 3.7Å; P420-T422 PolarHBondContact O-N 2.87Å; P420-T445 HydrophobicContact CB-CG2 3.72Å; P420-T445 HydrophobicContact CG-CG2 4.12Å
421	I	89.6	Confident	88.6	Confident	55 Å²	55	72 Å²	72	28%	0.282	36%	0.36	S	S	.	.	S	Bend	trans	-60.3	-45.6	178	-69.1	165.7	0	0	0	110.8	Y372 R407 L410 E411 I419	Y372-I421 PolarHBondContact OH-O 3.41Å; R407-I421 HydrophobicContact CG-CG2 4.46Å; R407-I421 PolarHBondContact NH1-O 3.32Å; L410-I421 HydrophobicContact CB-CG1 4.29Å; E411-I421 HydrophobicContact CG-CD1 4Å; E411-I421 HydrophobicContact CG-CG1 4.24Å; E411-I421 HydrophobicContact CG-CG2 3.52Å; E411-I421 VanDerWaalsContact OE1-CG2 3.27Å; E411-I421 WeakPolarHBondContact OE1-CG2 3.37Å; I419-I421 PolarHBondContact O-N 3.18Å
422	T	89.5	Confident	87.8	Confident	58 Å²	58	77.1 Å²	77.1	36%	0.356	38%	0.376	S	S	.	.	S	Bend	trans	-114.2	131.1	174.2	-54.2	0	0	0	0	108.6	R407 P420 G446	R407-T422 PolarHBondContact NH1-OG1 3.29Å; R407-T422 VanDerWaalsContact NH1-OG1 3.1Å; R407-T422 PolarHBondContact NH2-OG1 2.85Å; P420-T422 PolarHBondContact O-N 2.87Å; T422-G446 PolarHBondContact O-N 3.21Å
423	Y	89.9	Confident	87	Confident	43 Å²	43	80 Å²	80	17%	0.169	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.2	174.9	69.1	-78.5	0	0	0	109.6	S371 Y372 F375 I426 Y444	S371-Y423 VanDerWaalsContact CB-OH 3.3Å; S371-Y423 WeakPolarHBondContact CB-OH 3.32Å; S371-Y423 PolarHBondContact O-OH 3.16Å; S371-Y423 PolarHBondContact OG-OH 3.07Å; S371-Y423 VanDerWaalsContact OG-OH 3.11Å; Y372-Y423 HydrophobicContact CD1-CD1 4.38Å; Y372-Y423 AromaticContact CD1-CE1 3.74Å; Y372-Y423 HydrophobicContact CD1-CE1 3.74Å; Y372-Y423 AromaticContact CE1-CD1 3.98Å; Y372-Y423 HydrophobicContact CE1-CD1 3.98Å; Y372-Y423 AromaticContact CE1-CE1 3.58Å; Y372-Y423 HydrophobicContact CE1-CE1 3.58Å; Y372-Y423 HydrophobicContact CG-CE1 4.43Å; F375-Y423 AromaticContact CE2-CD1 3.82Å; F375-Y423 HydrophobicContact CE2-CD1 3.82Å; F375-Y423 HydrophobicContact CE2-CD2 4.09Å; F375-Y423 AromaticContact CE2-CE1 3.68Å; F375-Y423 HydrophobicContact CE2-CE1 3.68Å; F375-Y423 AromaticContact CE2-CE2 3.94Å; F375-Y423 HydrophobicContact CE2-CE2 3.94Å; F375-Y423 HydrophobicContact CE2-CG 4.05Å; F375-Y423 AromaticContact CE2-CZ 3.74Å; F375-Y423 HydrophobicContact CZ-CD1 4.07Å; F375-Y423 HydrophobicContact CZ-CD2 4.11Å; F375-Y423 HydrophobicContact CZ-CE1 4.38Å; F375-Y423 HydrophobicContact CZ-CE2 4.4Å; F375-Y423 AromaticContact CZ-CG 3.94Å; F375-Y423 HydrophobicContact CZ-CG 3.94Å; Y423-I426 HydrophobicContact CE2-CG2 4.48Å; Y423-Y444 CarbonylContact C-O 3.58Å; Y423-Y444 WeakPolarHBondContact CA-O 3.44Å; Y423-Y444 WeakPolarHBondContact CB-O 3.47Å
424	Y	87.4	Confident	86.1	Confident	156 Å²	156	81.6 Å²	81.6	61%	0.612	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	-40.8	179.7	-60.3	-64	0	0	0	111.8	Y444 T445	Y424-Y444 AromaticContact CD2-CD1 3.56Å; Y424-Y444 HydrophobicContact CD2-CD1 3.56Å; Y424-Y444 AromaticContact CD2-CE1 3.5Å; Y424-Y444 HydrophobicContact CD2-CE1 3.5Å; Y424-Y444 HydrophobicContact CD2-CG 4.46Å; Y424-Y444 HydrophobicContact CE2-CE1 4.13Å; Y424-Y444 HydrophobicContact CG-CD1 4.17Å; Y424-Y444 HydrophobicContact CG-CE1 4.37Å; Y424-Y444 PolarHBondContact N-O 3.05Å; Y424-T445 WeakPolarHBondContact CD2-O 3.43Å; Y424-T445 WeakPolarHBondContact CE2-O 3.4Å
425	S	87.8	Confident	85	Confident	46 Å²	46	84.1 Å²	84.1	32%	0.322	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.6	-178.8	67	0	0	0	0	112	S443 Y444	S425-S443 WeakPolarHBondContact O-CA 3.34Å; S425-Y444 PolarHBondContact O-N 2.77Å; S425-Y444 WeakPolarHBondContact OG-CB 3.49Å
426	I	88.9	Confident	84.1	Confident	45 Å²	45	85.5 Å²	85.5	23%	0.231	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.8	176.2	-168.7	-178.1	0	0	0	109.1	F375 L378 Y423 W442	F375-I426 HydrophobicContact CB-CD1 4.06Å; F375-I426 HydrophobicContact CD1-CD1 3.31Å; F375-I426 HydrophobicContact CD1-CG1 4.44Å; F375-I426 HydrophobicContact CD2-CD1 3.86Å; F375-I426 HydrophobicContact CE1-CD1 3.56Å; F375-I426 HydrophobicContact CE1-CG1 4.31Å; F375-I426 HydrophobicContact CE2-CD1 4.07Å; F375-I426 HydrophobicContact CG-CD1 3.46Å; F375-I426 VanDerWaalsContact CG-CD1 3.46Å; F375-I426 HydrophobicContact CZ-CD1 3.93Å; L378-I426 HydrophobicContact CB-CD1 4.39Å; L378-I426 HydrophobicContact CD2-CD1 3.78Å; L378-I426 HydrophobicContact CD2-CG1 3.68Å; Y423-I426 HydrophobicContact CE2-CG2 4.48Å; I426-W442 CarbonylContact C-O 3.57Å; I426-W442 WeakPolarHBondContact CA-O 3.39Å; I426-W442 WeakPolarHBondContact CG1-O 3.11Å
427	G	87.1	Confident	83.1	Confident	23 Å²	23	85.6 Å²	85.6	24%	0.237	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-151.1	-177.9	0	0	0	0	0	113	G441 W442	G427-G441 CarbonylContact O-C 3.47Å; G427-G441 WeakPolarHBondContact O-CA 3.05Å; G427-W442 PolarHBondContact N-O 3.43Å; G427-W442 PolarHBondContact O-N 3.4Å
428	F	86.3	Confident	82.4	Confident	100 Å²	100	86.8 Å²	86.8	44%	0.439	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.4	176.8	-57.2	-82.4	0	0	0	109.5	L378 C438 Q440	L378-F428 HydrophobicContact CD1-CD2 4.48Å; L378-F428 HydrophobicContact CD1-CE1 4.14Å; L378-F428 HydrophobicContact CD1-CE2 3.83Å; L378-F428 HydrophobicContact CD1-CZ 3.63Å; F428-C438 WeakPolarHBondContact CD1-O 3.34Å; F428-C438 WeakPolarHBondContact CE1-O 3.43Å; F428-Q440 WeakPolarHBondContact CD1-O 3.17Å
429	V	80.6	Confident	82	Confident	76 Å²	76	92.5 Å²	92.5	46%	0.461	46%	0.456	S	S	.	.			trans	-90.8	105.6	172.2	179.2	0	0	0	0	107.2	C438 W442 I450	V429-C438 PolarHBondContact O-SG 2.96Å; V429-W442 HydrophobicContact CG2-CB 3.95Å; V429-W442 HydrophobicContact CG2-CG 3.77Å; V429-I450 HydrophobicContact CG2-CG2 4.45Å
430	N	80.1	Confident	81.7	Confident	87 Å²	87	93.6 Å²	93.6	47%	0.465	46%	0.46	S	S	.	.			trans	-114	143.9	178.2	-67.5	-34.7	0	0	0	110	C438	N430-C438 WeakPolarHBondContact OD1-CB 3.39Å; N430-C438 PolarHBondContact OD1-N 3.37Å
431	W	79	Confident	81.7	Confident	172 Å²	172	93.8 Å²	93.8	65%	0.652	47%	0.465	S	S	*	.			trans	-78.5	131.5	168.4	-173.2	67.5	0	0	0	109.8	F433 T434	W431-F433 HydrophobicContact CD2-CB 4.29Å; W431-F433 HydrophobicContact CD2-CD2 4.24Å; W431-F433 AromaticContact CE2-CD2 3.71Å; W431-F433 VanDerWaalsContact CE3-C 3.42Å; W431-F433 HydrophobicContact CE3-CB 3.76Å; W431-F433 HydrophobicContact CH2-CB 3.56Å; W431-F433 AromaticContact CH2-CD2 3.89Å; W431-F433 HydrophobicContact CH2-CD2 3.89Å; W431-F433 HydrophobicContact CH2-CG 4.11Å; W431-F433 HydrophobicContact CZ2-CB 4.07Å; W431-F433 AromaticContact CZ2-CD2 3.5Å; W431-F433 HydrophobicContact CZ2-CD2 3.5Å; W431-F433 HydrophobicContact CZ2-CE2 4.37Å; W431-F433 HydrophobicContact CZ2-CG 4.2Å; W431-F433 HydrophobicContact CZ3-CB 3.4Å; W431-F433 HydrophobicContact CZ3-CD2 4.39Å; W431-F433 HydrophobicContact CZ3-CG 4.37Å; W431-F433 PolarHBondContact O-N 2.89Å; W431-T434 HydrophobicContact CB-CG2 3.94Å; W431-T434 HydrophobicContact CE3-CG2 4.43Å; W431-T434 VanDerWaalsContact CE3-N 3.35Å; W431-T434 WeakPolarHBondContact O-CG2 3.38Å; W431-T434 PolarHBondContact O-N 2.68Å; W431-T434 VanDerWaalsContact O-N 3.09Å
432	R	79.2	Confident	81.7	Confident	186 Å²	186	92.5 Å²	92.5	70%	0.702	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27	-170.3	-174.7	173.7	176.3	162.6	0.6	114.3	V485	R432-V485 VanDerWaalsContact NH1-CG1 3.32Å
433	F	79.6	Confident	81.7	Confident	155 Å²	155	90 Å²	90	68%	0.68	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	11.9	-176.3	-44.6	-91.6	0	0	0	113.9	W431	W431-F433 HydrophobicContact CD2-CB 4.29Å; W431-F433 HydrophobicContact CD2-CD2 4.24Å; W431-F433 AromaticContact CE2-CD2 3.71Å; W431-F433 VanDerWaalsContact CE3-C 3.42Å; W431-F433 HydrophobicContact CE3-CB 3.76Å; W431-F433 HydrophobicContact CH2-CB 3.56Å; W431-F433 AromaticContact CH2-CD2 3.89Å; W431-F433 HydrophobicContact CH2-CD2 3.89Å; W431-F433 HydrophobicContact CH2-CG 4.11Å; W431-F433 HydrophobicContact CZ2-CB 4.07Å; W431-F433 AromaticContact CZ2-CD2 3.5Å; W431-F433 HydrophobicContact CZ2-CD2 3.5Å; W431-F433 HydrophobicContact CZ2-CE2 4.37Å; W431-F433 HydrophobicContact CZ2-CG 4.2Å; W431-F433 HydrophobicContact CZ3-CB 3.4Å; W431-F433 HydrophobicContact CZ3-CD2 4.39Å; W431-F433 HydrophobicContact CZ3-CG 4.37Å; W431-F433 PolarHBondContact O-N 2.89Å
434	T	74.5	Confident	81.8	Confident	57 Å²	57	89.1 Å²	89.1	35%	0.35	44%	0.438	S	S	.	.			trans	-105.5	145	170.4	-167.7	0	0	0	0	111.1	W431 V436	W431-T434 HydrophobicContact CB-CG2 3.94Å; W431-T434 HydrophobicContact CE3-CG2 4.43Å; W431-T434 VanDerWaalsContact CE3-N 3.35Å; W431-T434 WeakPolarHBondContact O-CG2 3.38Å; W431-T434 PolarHBondContact O-N 2.68Å; W431-T434 VanDerWaalsContact O-N 3.09Å; T434-V436 VanDerWaalsContact C-N 3.29Å; T434-V436 HydrophobicContact CG2-CB 4.16Å; T434-V436 WeakPolarHBondContact OG1-CB 3.33Å; T434-V436 WeakPolarHBondContact OG1-CG2 3.32Å; T434-V436 PolarHBondContact OG1-N 3.04Å; T434-V436 VanDerWaalsContact OG1-N 3.1Å
435	V	73.4	Confident	81.8	Confident	148 Å²	148	81.9 Å²	81.9	90%	0.897	41%	0.411	S	S	*	.			trans	-87.2	-6.1	170.1	-149.5	0	0	0	0	111	Q437	V435-Q437 PolarHBondContact O-N 2.98Å
436	V	73.8	Confident	81.7	Confident	99 Å²	99	81 Å²	81	60%	0.6	41%	0.408	S	S	*	.			trans	-67.8	117	-179.7	178.1	0	0	0	0	109.4	T434 C438	T434-V436 VanDerWaalsContact C-N 3.29Å; T434-V436 HydrophobicContact CG2-CB 4.16Å; T434-V436 WeakPolarHBondContact OG1-CB 3.33Å; T434-V436 WeakPolarHBondContact OG1-CG2 3.32Å; T434-V436 PolarHBondContact OG1-N 3.04Å; T434-V436 VanDerWaalsContact OG1-N 3.1Å; V436-C438 PolarHBondContact O-N 3.34Å
437	Q	68.9	Low	81.6	Confident	144 Å²	144	81.8 Å²	81.8	67%	0.673	42%	0.418	S	S	*	.			trans	-82.3	112.7	178.5	-159.6	168.3	15.5	0	0	109.4	V435	V435-Q437 PolarHBondContact O-N 2.98Å
438	C	73.8	Confident	81.7	Confident	46 Å²	46	80.8 Å²	80.8	31%	0.311	41%	0.408	S	S	.	.			trans	-73.7	135.4	174.4	-66	0	0	0	0	110.4	F428 V429 N430 V436	F428-C438 WeakPolarHBondContact CD1-O 3.34Å; F428-C438 WeakPolarHBondContact CE1-O 3.43Å; V429-C438 PolarHBondContact O-SG 2.96Å; N430-C438 WeakPolarHBondContact OD1-CB 3.39Å; N430-C438 PolarHBondContact OD1-N 3.37Å; V436-C438 PolarHBondContact O-N 3.34Å
439	F	77	Confident	81.9	Confident	179 Å²	179	76.7 Å²	76.7	79%	0.785	39%	0.39	S	S	*	.			trans	-98.3	-7.8	179.4	-65.6	-77.2	0	0	0	113.7
440	Q	82	Confident	82.4	Confident	76 Å²	76	74.4 Å²	74.4	36%	0.355	38%	0.375	S	S	.	.			trans	-88.2	122.2	178.9	-172.8	168	-1.3	0	0	110.6	F428 W442 S452	F428-Q440 WeakPolarHBondContact CD1-O 3.17Å; Q440-W442 VanDerWaalsContact CD-CZ2 3.43Å; Q440-W442 HydrophobicContact CG-CZ2 3.97Å; Q440-W442 PolarHBondContact O-NE1 3.36Å; Q440-S452 PolarHBondContact NE2-OG 2.75Å
441	G	86.4	Confident	82.9	Confident	19 Å²	19	72.1 Å²	72.1	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139	175.1	0	0	0	0	0	112.6	L378 G427 S452	L378-G441 VanDerWaalsContact CD2-CA 3.44Å; G427-G441 CarbonylContact O-C 3.47Å; G427-G441 WeakPolarHBondContact O-CA 3.05Å; G441-S452 WeakPolarHBondContact O-CB 3.46Å; G441-S452 PolarHBondContact O-OG 3.49Å
442	W	89.4	Confident	83.3	Confident	27 Å²	27	65.1 Å²	65.1	10%	0.102	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.3	-179.5	-60.1	91.3	0	0	0	111	I426 G427 V429 Q440 I450 R451 L457 L467	I426-W442 CarbonylContact C-O 3.57Å; I426-W442 WeakPolarHBondContact CA-O 3.39Å; I426-W442 WeakPolarHBondContact CG1-O 3.11Å; G427-W442 PolarHBondContact N-O 3.43Å; G427-W442 PolarHBondContact O-N 3.4Å; V429-W442 HydrophobicContact CG2-CB 3.95Å; V429-W442 HydrophobicContact CG2-CG 3.77Å; Q440-W442 VanDerWaalsContact CD-CZ2 3.43Å; Q440-W442 HydrophobicContact CG-CZ2 3.97Å; Q440-W442 PolarHBondContact O-NE1 3.36Å; W442-I450 HydrophobicContact CB-CG2 4.05Å; W442-I450 HydrophobicContact CD2-CG2 4.14Å; W442-I450 HydrophobicContact CE3-CG2 3.78Å; W442-I450 HydrophobicContact CG-CG2 4.28Å; W442-R451 CarbonylContact C-O 3.48Å; W442-R451 WeakPolarHBondContact CA-O 3.45Å; W442-L457 HydrophobicContact CE3-CD1 4.39Å; W442-L457 HydrophobicContact CE3-CG 4.2Å; W442-L457 HydrophobicContact CH2-CD1 4.37Å; W442-L457 HydrophobicContact CH2-CD2 3.54Å; W442-L457 HydrophobicContact CH2-CG 3.77Å; W442-L457 HydrophobicContact CZ2-CD2 4.15Å; W442-L457 HydrophobicContact CZ2-CG 4.48Å; W442-L457 HydrophobicContact CZ3-CD1 4.25Å; W442-L457 HydrophobicContact CZ3-CD2 3.94Å; W442-L457 HydrophobicContact CZ3-CG 3.62Å; W442-L467 HydrophobicContact CH2-CD2 3.55Å; W442-L467 HydrophobicContact CZ3-CD2 4.12Å
443	S	90.4	Very high	83.6	Confident	6 Å²	6	60 Å²	60	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.5	171.1	56.7	0	0	0	0	109.9	S425 I450 R451	S425-S443 WeakPolarHBondContact O-CA 3.34Å; S443-I450 WeakPolarHBondContact O-CA 3.47Å; S443-R451 PolarHBondContact N-O 3.27Å; S443-R451 PolarHBondContact O-N 3.41Å; S443-R451 PolarHBondContact OG-O 2.04Å; S443-R451 VanDerWaalsContact OG-O 3.05Å
444	Y	91.1	Very high	83.9	Confident	25 Å²	25	57.6 Å²	57.6	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110	169.4	-175.2	-129.4	0	0	0	108.7	Y423 Y424 S425 Q449 I450 W479 Y481	Y423-Y444 CarbonylContact C-O 3.58Å; Y423-Y444 WeakPolarHBondContact CA-O 3.44Å; Y423-Y444 WeakPolarHBondContact CB-O 3.47Å; Y424-Y444 AromaticContact CD2-CD1 3.56Å; Y424-Y444 HydrophobicContact CD2-CD1 3.56Å; Y424-Y444 AromaticContact CD2-CE1 3.5Å; Y424-Y444 HydrophobicContact CD2-CE1 3.5Å; Y424-Y444 HydrophobicContact CD2-CG 4.46Å; Y424-Y444 HydrophobicContact CE2-CE1 4.13Å; Y424-Y444 HydrophobicContact CG-CD1 4.17Å; Y424-Y444 HydrophobicContact CG-CE1 4.37Å; Y424-Y444 PolarHBondContact N-O 3.05Å; S425-Y444 PolarHBondContact O-N 2.77Å; S425-Y444 WeakPolarHBondContact OG-CB 3.49Å; Y444-Q449 WeakPolarHBondContact CA-O 3.38Å; Y444-I450 HydrophobicContact CD2-CG1 4.01Å; Y444-W479 HydrophobicContact CE2-CB 4.44Å; Y444-W479 WeakPolarHBondContact CE2-O 3.39Å; Y444-W479 PolarHBondContact OH-O 2.95Å; Y444-Y481 AromaticContact CD1-CD1 3.89Å; Y444-Y481 HydrophobicContact CD1-CD1 3.89Å; Y444-Y481 HydrophobicContact CD1-CG 4.4Å; Y444-Y481 HydrophobicContact CE1-CD1 4.27Å; Y444-Y481 HydrophobicContact CG-CD1 4.41Å; Y444-Y481 PolarHBondContact OH-N 3.42Å
445	T	89	Confident	84.7	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	161	-172	72.1	0	0	0	0	111.8	P420 Y424 S447 G448 Q449 R451	P420-T445 HydrophobicContact CB-CG2 3.72Å; P420-T445 HydrophobicContact CG-CG2 4.12Å; Y424-T445 WeakPolarHBondContact CD2-O 3.43Å; Y424-T445 WeakPolarHBondContact CE2-O 3.4Å; T445-S447 PolarHBondContact O-N 3.15Å; T445-S447 PolarHBondContact OG1-N 3Å; T445-S447 PolarHBondContact OG1-OG 2.9Å; T445-G448 PolarHBondContact O-N 3.21Å; T445-Q449 HydrophobicContact CG2-CB 4.26Å; T445-Q449 PolarHBondContact N-O 3.23Å; T445-Q449 WeakPolarHBondContact OG1-CB 3.35Å; T445-Q449 PolarHBondContact OG1-N 3.32Å; T445-Q449 PolarHBondContact OG1-O 3.11Å; T445-R451 HydrophobicContact CG2-CB 4.1Å
446	G	85.9	Confident	85.5	Confident	27 Å²	27	52.1 Å²	52.1	28%	0.278	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.8	172.5	0	0	0	0	0	114	T422 G448	T422-G446 PolarHBondContact O-N 3.21Å; G446-G448 VanDerWaalsContact C-N 3.3Å
447	S	86.2	Confident	86.4	Confident	61 Å²	61	48.4 Å²	48.4	43%	0.427	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5.1	174.1	53.6	0	0	0	0	113.7	T445 Q449 F478	T445-S447 PolarHBondContact O-N 3.15Å; T445-S447 PolarHBondContact OG1-N 3Å; T445-S447 PolarHBondContact OG1-OG 2.9Å; S447-Q449 PolarHBondContact OG-OE1 2.9Å; S447-F478 WeakPolarHBondContact O-CD2 3.49Å
448	G	88.6	Confident	87.4	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	76.6	22.1	-179.2	0	0	0	0	0	114.1	T445 G446 W479	T445-G448 PolarHBondContact O-N 3.21Å; G446-G448 VanDerWaalsContact C-N 3.3Å; G448-W479 PolarHBondContact O-N 2.88Å
449	Q	90.7	Very high	88.1	Confident	14 Å²	14	40.7 Å²	40.7	7%	0.065	22%	0.221	C	C	.	.			trans	-98.1	143.6	177.9	-57.3	180	-50.8	0	0	110.4	Y444 T445 S447 I471	Y444-Q449 WeakPolarHBondContact CA-O 3.38Å; T445-Q449 HydrophobicContact CG2-CB 4.26Å; T445-Q449 PolarHBondContact N-O 3.23Å; T445-Q449 WeakPolarHBondContact OG1-CB 3.35Å; T445-Q449 PolarHBondContact OG1-N 3.32Å; T445-Q449 PolarHBondContact OG1-O 3.11Å; S447-Q449 PolarHBondContact OG-OE1 2.9Å; Q449-I471 PolarHBondContact NE2-O 3.42Å
450	I	91.5	Very high	88.4	Confident	27 Å²	27	39.2 Å²	39.2	14%	0.138	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110.8	167.8	-56.9	172.3	0	0	0	107.9	V429 W442 S443 Y444 C456 L457 W479	V429-I450 HydrophobicContact CG2-CG2 4.45Å; W442-I450 HydrophobicContact CB-CG2 4.05Å; W442-I450 HydrophobicContact CD2-CG2 4.14Å; W442-I450 HydrophobicContact CE3-CG2 3.78Å; W442-I450 HydrophobicContact CG-CG2 4.28Å; S443-I450 WeakPolarHBondContact O-CA 3.47Å; Y444-I450 HydrophobicContact CD2-CG1 4.01Å; I450-C456 WeakPolarHBondContact O-CA 3.44Å; I450-L457 HydrophobicContact CB-CB 4.29Å; I450-L457 HydrophobicContact CB-CD1 3.93Å; I450-L457 HydrophobicContact CB-CG 4.34Å; I450-L457 HydrophobicContact CD1-CD1 4.26Å; I450-L457 HydrophobicContact CG2-CD1 3.57Å; I450-L457 HydrophobicContact CG2-CG 4.2Å; I450-L457 PolarHBondContact O-N 2.79Å; I450-W479 HydrophobicContact CD1-CB 3.95Å; I450-W479 HydrophobicContact CD1-CD2 4.02Å; I450-W479 HydrophobicContact CD1-CE3 4.49Å; I450-W479 HydrophobicContact CD1-CG 3.75Å; I450-W479 HydrophobicContact CG1-CB 4.06Å; I450-W479 HydrophobicContact CG1-CG 3.95Å
451	R	89.9	Confident	88.2	Confident	40 Å²	40	43.1 Å²	43.1	15%	0.151	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.9	-164.7	178.7	169.3	-176	176.1	0.2	112.9	N418 W442 S443 T445 S453 Q455 C470	N418-R451 PolarHBondContact O-NH2 3.44Å; N418-R451 PolarHBondContact OD1-NH2 3.4Å; W442-R451 CarbonylContact C-O 3.48Å; W442-R451 WeakPolarHBondContact CA-O 3.45Å; S443-R451 PolarHBondContact N-O 3.27Å; S443-R451 PolarHBondContact O-N 3.41Å; S443-R451 PolarHBondContact OG-O 2.04Å; S443-R451 VanDerWaalsContact OG-O 3.05Å; T445-R451 HydrophobicContact CG2-CB 4.1Å; R451-S453 PolarHBondContact NE-O 2.92Å; R451-S453 PolarHBondContact NH2-O 2.81Å; R451-Q455 WeakPolarHBondContact CA-O 3.5Å; R451-C470 VanDerWaalsContact CD-SG 3.52Å; R451-C470 VanDerWaalsContact CG-SG 3.55Å
452	S	88.8	Confident	87.6	Confident	24 Å²	24	49.5 Å²	49.5	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	102.5	170.2	165.7	0	0	0	0	109	Q440 G441 E454 Q455	Q440-S452 PolarHBondContact NE2-OG 2.75Å; G441-S452 WeakPolarHBondContact O-CB 3.46Å; G441-S452 PolarHBondContact O-OG 3.49Å; S452-E454 PolarHBondContact O-N 2.82Å; S452-E454 VanDerWaalsContact O-N 3.14Å; S452-Q455 PolarHBondContact N-O 2.86Å; S452-Q455 PolarHBondContact O-N 3.45Å
453	S	84.5	Confident	87.1	Confident	80 Å²	80	53.8 Å²	53.8	56%	0.559	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-110.3	-176.8	-171.4	0	0	0	0	112.8	R451	R451-S453 PolarHBondContact NE-O 2.92Å; R451-S453 PolarHBondContact NH2-O 2.81Å
454	E	86.4	Confident	86.8	Confident	104 Å²	104	58.2 Å²	58.2	49%	0.486	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-5.5	178.5	-63.8	-168.3	177.2	0	0	113.6	N418 S452 C470	N418-E454 WeakPolarHBondContact ND2-CG 3.46Å; N418-E454 PolarHBondContact ND2-OE1 2.78Å; S452-E454 PolarHBondContact O-N 2.82Å; S452-E454 VanDerWaalsContact O-N 3.14Å; E454-C470 PolarHBondContact O-N 3.33Å; E454-C470 PolarHBondContact O-SG 3.31Å
455	Q	90.8	Very high	86.6	Confident	89 Å²	89	62.6 Å²	62.6	42%	0.416	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.6	-174.9	-63.6	-176.1	-43.8	0	0	111.1	R451 S452 L467 E468 C470	R451-Q455 WeakPolarHBondContact CA-O 3.5Å; S452-Q455 PolarHBondContact N-O 2.86Å; S452-Q455 PolarHBondContact O-N 3.45Å; Q455-L467 HydrophobicContact CB-CD2 3.95Å; Q455-E468 CarbonylContact C-O 3.56Å; Q455-E468 WeakPolarHBondContact CA-O 3.4Å; Q455-C470 PolarHBondContact O-SG 2.79Å; Q455-C470 VanDerWaalsContact O-SG 3.41Å
456	C	91.3	Very high	86.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.7	175.7	-79.3	0	0	0	0	109	I450 G458 E468 C470 L477	I450-C456 WeakPolarHBondContact O-CA 3.44Å; C456-G458 PolarHBondContact O-N 3.05Å; C456-E468 PolarHBondContact N-O 3.01Å; C456-E468 PolarHBondContact O-N 3.14Å; C456-C470 VanDerWaalsContact CA-SG 3.59Å; C456-C470 HydrophobicContact CB-CB 4.1Å; C456-C470 WeakPolarHBondContact CB-SG 3.2Å; C456-C470 PolarHBondContact N-SG 2.86Å; C456-C470 VanDerWaalsContact SG-CA 3.56Å; C456-C470 WeakPolarHBondContact SG-CB 3.35Å; C456-C470 CovalentContact SG-SG 2.04Å; C456-C470 PolarHBondContact SG-SG 2.8Å; C456-L477 HydrophobicContact CB-CD1 4.24Å; C456-L477 HydrophobicContact CB-CD2 4.07Å
457	L	91.2	Very high	86.9	Confident	22 Å²	22	67 Å²	67	12%	0.115	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.4	164.8	-66.4	176.3	0	0	0	107.9	W442 I450 I465 L467 W479	W442-L457 HydrophobicContact CE3-CD1 4.39Å; W442-L457 HydrophobicContact CE3-CG 4.2Å; W442-L457 HydrophobicContact CH2-CD1 4.37Å; W442-L457 HydrophobicContact CH2-CD2 3.54Å; W442-L457 HydrophobicContact CH2-CG 3.77Å; W442-L457 HydrophobicContact CZ2-CD2 4.15Å; W442-L457 HydrophobicContact CZ2-CG 4.48Å; W442-L457 HydrophobicContact CZ3-CD1 4.25Å; W442-L457 HydrophobicContact CZ3-CD2 3.94Å; W442-L457 HydrophobicContact CZ3-CG 3.62Å; I450-L457 HydrophobicContact CB-CB 4.29Å; I450-L457 HydrophobicContact CB-CD1 3.93Å; I450-L457 HydrophobicContact CB-CG 4.34Å; I450-L457 HydrophobicContact CD1-CD1 4.26Å; I450-L457 HydrophobicContact CG2-CD1 3.57Å; I450-L457 HydrophobicContact CG2-CG 4.2Å; I450-L457 PolarHBondContact O-N 2.79Å; L457-I465 HydrophobicContact CB-CG2 4.46Å; L457-I465 HydrophobicContact CD2-CG2 3.7Å; L457-L467 HydrophobicContact CD2-CD2 4.14Å; L457-W479 HydrophobicContact CB-CZ2 3.91Å; L457-W479 PolarHBondContact O-NE1 3.17Å
458	G	90.4	Very high	87.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	161.9	171.1	0	0	0	0	0	110.9	C456 I465 I466 S476	C456-G458 PolarHBondContact O-N 3.05Å; G458-I465 WeakPolarHBondContact O-CA 3.33Å; G458-I466 PolarHBondContact N-O 3.03Å; G458-I466 PolarHBondContact O-N 2.82Å; G458-S476 CarbonylContact C-O 3.57Å; G458-S476 WeakPolarHBondContact CA-O 3.01Å
459	S	87.8	Confident	87.2	Confident	28 Å²	28	74.8 Å²	74.8	20%	0.196	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128	169	-171.9	0	0	0	0	110.9	N462 D464 S476	S459-N462 WeakPolarHBondContact OG-CA 3.2Å; S459-N462 PolarHBondContact OG-N 3.02Å; S459-D464 WeakPolarHBondContact CA-O 3.47Å; S459-S476 PolarHBondContact N-O 3.11Å; S459-S476 WeakPolarHBondContact O-CB 3.45Å
460	R	83.9	Confident	87	Confident	148 Å²	148	75.2 Å²	75.2	56%	0.558	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.5	167.6	-178.3	176.7	-84.9	-173.2	-5.1	108.5	N462 V463 D464 I466	R460-N462 PolarHBondContact O-N 3.39Å; R460-N462 VanDerWaalsContact O-N 3.09Å; R460-V463 PolarHBondContact O-N 3.38Å; R460-V463 VanDerWaalsContact O-N 3.11Å; R460-D464 HydrophobicContact CB-CB 4.44Å; R460-D464 PolarHBondContact N-O 3.27Å; R460-D464 PolarHBondContact O-N 3.27Å; R460-D464 VanDerWaalsContact O-N 3.17Å; R460-I466 HydrophobicContact CB-CD1 3.99Å; R460-I466 HydrophobicContact CB-CG1 4.44Å; R460-I466 HydrophobicContact CB-CG2 4.3Å
461	L	78.6	Confident	86.7	Confident	157 Å²	157	79 Å²	79	82%	0.822	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	21	177.3	-58.9	171	0	0	0	114.7	V463	L461-V463 HydrophobicContact CB-CG2 4.24Å; L461-V463 WeakPolarHBondContact O-CG2 3.44Å; L461-V463 PolarHBondContact O-N 2.96Å
462	N	74.1	Confident	86	Confident	154 Å²	154	84.2 Å²	84.2	82%	0.824	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	18.4	-173.6	-60.4	-22.1	0	0	0	114.6	S459 R460	S459-N462 WeakPolarHBondContact OG-CA 3.2Å; S459-N462 PolarHBondContact OG-N 3.02Å; R460-N462 PolarHBondContact O-N 3.39Å; R460-N462 VanDerWaalsContact O-N 3.09Å
463	V	77.3	Confident	85.4	Confident	116 Å²	116	90.2 Å²	90.2	70%	0.703	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-46.1	-178.8	-155.3	0	0	0	0	111.4	R460 L461	R460-V463 PolarHBondContact O-N 3.38Å; R460-V463 VanDerWaalsContact O-N 3.11Å; L461-V463 HydrophobicContact CB-CG2 4.24Å; L461-V463 WeakPolarHBondContact O-CG2 3.44Å; L461-V463 PolarHBondContact O-N 2.96Å
464	D	84.8	Confident	85.2	Confident	99 Å²	99	87 Å²	87	53%	0.529	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.8	-175.8	-67.1	-34.3	0	0	0	111.3	S459 R460 I466	S459-D464 WeakPolarHBondContact CA-O 3.47Å; R460-D464 HydrophobicContact CB-CB 4.44Å; R460-D464 PolarHBondContact N-O 3.27Å; R460-D464 PolarHBondContact O-N 3.27Å; R460-D464 VanDerWaalsContact O-N 3.17Å; D464-I466 HydrophobicContact CB-CG2 4.49Å
465	I	87.5	Confident	84.8	Confident	118 Å²	118	88.1 Å²	88.1	61%	0.605	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.1	167.5	-57.5	-178.7	0	0	0	108	L457 G458 W479	L457-I465 HydrophobicContact CB-CG2 4.46Å; L457-I465 HydrophobicContact CD2-CG2 3.7Å; G458-I465 WeakPolarHBondContact O-CA 3.33Å; I465-W479 HydrophobicContact CD1-CH2 4.41Å; I465-W479 HydrophobicContact CG1-CH2 4.19Å
466	I	90.3	Very high	84.4	Confident	39 Å²	39	85.8 Å²	85.8	20%	0.2	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.6	179.5	57	168.7	0	0	0	111.1	G458 R460 D464 E468	G458-I466 PolarHBondContact N-O 3.03Å; G458-I466 PolarHBondContact O-N 2.82Å; R460-I466 HydrophobicContact CB-CD1 3.99Å; R460-I466 HydrophobicContact CB-CG1 4.44Å; R460-I466 HydrophobicContact CB-CG2 4.3Å; D464-I466 HydrophobicContact CB-CG2 4.49Å; I466-E468 HydrophobicContact CD1-CG 3.55Å; I466-E468 WeakPolarHBondContact CD1-OE1 3.02Å; I466-E468 HydrophobicContact CG1-CG 3.92Å
467	L	89.9	Confident	84.2	Confident	85 Å²	85	86 Å²	86	45%	0.445	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.2	171.1	-86.4	171.9	0	0	0	109.3	W442 Q455 L457	W442-L467 HydrophobicContact CH2-CD2 3.55Å; W442-L467 HydrophobicContact CZ3-CD2 4.12Å; Q455-L467 HydrophobicContact CB-CD2 3.95Å; L457-L467 HydrophobicContact CD2-CD2 4.14Å
468	E	90.3	Very high	84.1	Confident	71 Å²	71	91.3 Å²	91.3	33%	0.332	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	163.5	178.7	-61.5	-169	138.5	0	0	110.9	Q455 C456 I466 C470 L477	Q455-E468 CarbonylContact C-O 3.56Å; Q455-E468 WeakPolarHBondContact CA-O 3.4Å; C456-E468 PolarHBondContact N-O 3.01Å; C456-E468 PolarHBondContact O-N 3.14Å; I466-E468 HydrophobicContact CD1-CG 3.55Å; I466-E468 WeakPolarHBondContact CD1-OE1 3.02Å; I466-E468 HydrophobicContact CG1-CG 3.92Å; E468-C470 PolarHBondContact O-N 2.76Å; E468-L477 HydrophobicContact CB-CD2 4.34Å
469	K	90.3	Very high	84	Confident	155 Å²	155	94.2 Å²	94.2	67%	0.674	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	133.1	171.8	-173.7	174.8	-177.6	175.6	0	108.8	I471	K469-I471 PolarHBondContact O-N 2.89Å
470	C	87.4	Confident	83.9	Confident	23 Å²	23	99.6 Å²	99.6	16%	0.155	52%	0.515	C	S	.	.			trans	-62.7	123.4	175.4	-65.2	0	0	0	0	110.8	R451 E454 Q455 C456 E468	R451-C470 VanDerWaalsContact CD-SG 3.52Å; R451-C470 VanDerWaalsContact CG-SG 3.55Å; E454-C470 PolarHBondContact O-N 3.33Å; E454-C470 PolarHBondContact O-SG 3.31Å; Q455-C470 PolarHBondContact O-SG 2.79Å; Q455-C470 VanDerWaalsContact O-SG 3.41Å; C456-C470 VanDerWaalsContact CA-SG 3.59Å; C456-C470 HydrophobicContact CB-CB 4.1Å; C456-C470 WeakPolarHBondContact CB-SG 3.2Å; C456-C470 PolarHBondContact N-SG 2.86Å; C456-C470 VanDerWaalsContact SG-CA 3.56Å; C456-C470 WeakPolarHBondContact SG-CB 3.35Å; C456-C470 CovalentContact SG-SG 2.04Å; C456-C470 PolarHBondContact SG-SG 2.8Å; E468-C470 PolarHBondContact O-N 2.76Å
471	I	85.7	Confident	83.8	Confident	108 Å²	108	98.3 Å²	98.3	55%	0.554	51%	0.511	S	S	*	.			trans	-122.6	137.1	173.2	-56	168.7	0	0	0	107.5	Q449 K469 N473 G474 L477	Q449-I471 PolarHBondContact NE2-O 3.42Å; K469-I471 PolarHBondContact O-N 2.89Å; I471-N473 PolarHBondContact O-N 3.46Å; I471-G474 PolarHBondContact O-N 2.97Å; I471-L477 HydrophobicContact CB-CD1 4.46Å
472	L	75.3	Confident	83.6	Confident	148 Å²	148	96 Å²	96	78%	0.775	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	128.3	172	-81.8	159.3	0	0	0	109	G474	L472-G474 VanDerWaalsContact C-N 3.28Å; L472-G474 PolarHBondContact O-N 3.35Å
473	N	75.3	Confident	83.2	Confident	150 Å²	150	91 Å²	91	80%	0.802	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	26.3	179.2	-50.8	-28.3	0	0	0	115.2	I471 P475	I471-N473 PolarHBondContact O-N 3.46Å; N473-P475 WeakPolarHBondContact O-CD 3.45Å
474	G	80	Confident	82.2	Confident	14 Å²	14	90.9 Å²	90.9	14%	0.144	48%	0.484	C	S	.	.			trans	-65.4	116	168.8	0	0	0	0	0	110.5	I471 L472 S476 L477	I471-G474 PolarHBondContact O-N 2.97Å; L472-G474 VanDerWaalsContact C-N 3.28Å; L472-G474 PolarHBondContact O-N 3.35Å; G474-S476 PolarHBondContact O-N 3.23Å; G474-L477 WeakPolarHBondContact O-CB 3.21Å; G474-L477 PolarHBondContact O-N 3.34Å
475	P	78.5	Confident	80.2	Confident	126 Å²	126	93 Å²	93	82%	0.818	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-65.2	-29.2	-173.2	24.1	-32.9	0	0	0	112.8	N473 L477	N473-P475 WeakPolarHBondContact O-CD 3.45Å; P475-L477 PolarHBondContact O-N 3.09Å
476	S	82.3	Confident	79.8	Confident	41 Å²	41	91.7 Å²	91.7	29%	0.287	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-72.7	-11.3	174.1	54.6	0	0	0	0	113.8	G458 S459 G474	G458-S476 CarbonylContact C-O 3.57Å; G458-S476 WeakPolarHBondContact CA-O 3.01Å; S459-S476 PolarHBondContact N-O 3.11Å; S459-S476 WeakPolarHBondContact O-CB 3.45Å; G474-S476 PolarHBondContact O-N 3.23Å
477	L	87.6	Confident	79.2	Confident	3 Å²	3	94.5 Å²	94.5	2%	0.016	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-103.6	3.4	-170.7	-54	-178.5	0	0	0	113.3	C456 E468 I471 G474 P475 W479	C456-L477 HydrophobicContact CB-CD1 4.24Å; C456-L477 HydrophobicContact CB-CD2 4.07Å; E468-L477 HydrophobicContact CB-CD2 4.34Å; I471-L477 HydrophobicContact CB-CD1 4.46Å; G474-L477 WeakPolarHBondContact O-CB 3.21Å; G474-L477 PolarHBondContact O-N 3.34Å; P475-L477 PolarHBondContact O-N 3.09Å; L477-W479 VanDerWaalsContact O-CD1 3.31Å
478	F	88.6	Confident	78.6	Confident	135 Å²	135	95 Å²	95	59%	0.592	51%	0.514	S	S	*	.			trans	-90.5	133	-179.6	-175.4	-94.2	0	0	0	111.1	S447	S447-F478 WeakPolarHBondContact O-CD2 3.49Å
479	W	88.3	Confident	78	Confident	60 Å²	60	96.4 Å²	96.4	23%	0.227	53%	0.525	C	S	.	.			trans	-133.1	135.2	180	-60.4	86.4	0	0	0	109.5	Y444 G448 I450 L457 I465 L477	Y444-W479 HydrophobicContact CE2-CB 4.44Å; Y444-W479 WeakPolarHBondContact CE2-O 3.39Å; Y444-W479 PolarHBondContact OH-O 2.95Å; G448-W479 PolarHBondContact O-N 2.88Å; I450-W479 HydrophobicContact CD1-CB 3.95Å; I450-W479 HydrophobicContact CD1-CD2 4.02Å; I450-W479 HydrophobicContact CD1-CE3 4.49Å; I450-W479 HydrophobicContact CD1-CG 3.75Å; I450-W479 HydrophobicContact CG1-CB 4.06Å; I450-W479 HydrophobicContact CG1-CG 3.95Å; L457-W479 HydrophobicContact CB-CZ2 3.91Å; L457-W479 PolarHBondContact O-NE1 3.17Å; I465-W479 HydrophobicContact CD1-CH2 4.41Å; I465-W479 HydrophobicContact CG1-CH2 4.19Å; L477-W479 VanDerWaalsContact O-CD1 3.31Å
480	D	86.8	Confident	77.2	Confident	141 Å²	141	92.8 Å²	92.8	75%	0.754	52%	0.515	S	S	*	.			trans	-96.2	119	166	-170	10.7	0	0	0	108.8
481	Y	80.7	Confident	76.5	Confident	121 Å²	121	97.4 Å²	97.4	48%	0.475	54%	0.539	S	S	.	.			trans	-114	103.2	179.8	172.4	-114.8	0	0	0	109.6	Y444 G483	Y444-Y481 AromaticContact CD1-CD1 3.89Å; Y444-Y481 HydrophobicContact CD1-CD1 3.89Å; Y444-Y481 HydrophobicContact CD1-CG 4.4Å; Y444-Y481 HydrophobicContact CE1-CD1 4.27Å; Y444-Y481 HydrophobicContact CG-CD1 4.41Å; Y444-Y481 PolarHBondContact OH-N 3.42Å; Y481-G483 PolarHBondContact O-N 3.01Å
482	N	75.8	Confident	75.9	Confident	109 Å²	109	96.6 Å²	96.6	58%	0.583	54%	0.538	S	S	*	.			trans	-83.2	97.7	171.5	-171.1	1.8	0	0	0	109.6	T484	N482-T484 PolarHBondContact ND2-OG1 3.1Å; N482-T484 PolarHBondContact O-N 3.45Å; N482-T484 WeakPolarHBondContact OD1-CG2 3.35Å; N482-T484 PolarHBondContact OD1-OG1 3.09Å
483	G	64.5	Low	75.9	Confident	48 Å²	48	92.7 Å²	92.7	50%	0.495	52%	0.52	S	S	.	.			trans	-69.4	14.7	-176.2	0	0	0	0	0	116.2	Y481 V485	Y481-G483 PolarHBondContact O-N 3.01Å; G483-V485 VanDerWaalsContact C-N 3.28Å; G483-V485 PolarHBondContact O-N 3.19Å
484	T	57.3	Low	76	Confident	115 Å²	115	87.9 Å²	87.9	71%	0.706	50%	0.496	S	S	*	.			trans	-86.8	28.8	179.6	58	0	0	0	0	114.1	N482	N482-T484 PolarHBondContact ND2-OG1 3.1Å; N482-T484 PolarHBondContact O-N 3.45Å; N482-T484 WeakPolarHBondContact OD1-CG2 3.35Å; N482-T484 PolarHBondContact OD1-OG1 3.09Å
485	V	41.3	Very low	75.6	Confident	142 Å²	142	94.6 Å²	94.6	86%	0.861	53%	0.528	S	S	*	.			trans	-124.3	0	-176.7	-170.4	0	0	0	0	112.8	R432 G483	R432-V485 VanDerWaalsContact NH1-CG1 3.32Å; G483-V485 VanDerWaalsContact C-N 3.28Å; G483-V485 PolarHBondContact O-N 3.19Å

Retrieved 485 of 485 residues in 588.8 ms (Link to these results)

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