A0A096NDF0_PAPAN Loading...

Matrix metallopeptidase 16

AlphaFold DB (P51512), UniProt , Accession A0A096NDF0, Species PAPAN (Papio anubis, Olive baboon), Gene MMP16, Length 607 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	41.7	Very low	39.8	Very low	239 Å²	239	161.5 Å²	161.5	100%	1.177	82%	0.822	S	S	*	*				0	110	0	-74.9	173.5	79.4	0	0	105.6
2	I	46.7	Very low	39.7	Very low	164 Å²	164	161.6 Å²	161.6	84%	0.841	83%	0.825	S	S	*	*			cis	-143.1	134.2	32.4	-77.8	160.6	0	0	0	107.6
3	L	35.2	Very low	40	Very low	150 Å²	150	159.4 Å²	159.4	79%	0.785	82%	0.816	S	S	*	*			trans	-76.3	153.6	168.1	-87	132.3	0	0	0	110.2
4	L	42.3	Very low	40.1	Very low	154 Å²	154	160.9 Å²	160.9	81%	0.806	81%	0.814	S	S	*	*			trans	161.2	95.6	136.2	-82.2	157.9	0	0	0	107.8
5	T	42.5	Very low	40.5	Very low	85 Å²	85	158.8 Å²	158.8	52%	0.521	81%	0.812	S	S	.	*				64.9	112.4	89.1	65.5	0	0	0	0	112.6
6	F	41.6	Very low	40.8	Very low	197 Å²	197	159 Å²	159	86%	0.864	81%	0.808	S	S	*	*				158.5	153.5	89	-92.8	-73.2	0	0	0	103.9
7	S	39.8	Very low	41.2	Very low	86 Å²	86	157.1 Å²	157.1	60%	0.601	80%	0.795	S	S	*	*			cis	-165.9	134.3	2.7	-172.8	0	0	0	0	107
8	T	38.3	Very low	41.9	Very low	134 Å²	134	152.4 Å²	152.4	82%	0.822	78%	0.779	S	S	*	*			trans	42	118.6	142.1	59	0	0	0	0	121.7
9	G	35.5	Very low	42.6	Very low	74 Å²	74	146.2 Å²	146.2	76%	0.763	76%	0.757	S	S	*	*			trans	175.5	84.5	155	0	0	0	0	0	115.7
10	R	37.6	Very low	43.7	Very low	252 Å²	252	142.9 Å²	142.9	95%	0.951	74%	0.744	S	S	*	*			trans	72.4	101.8	156.5	-64.1	-180	176.2	-168.9	-2.1	118.7
11	R	37.3	Very low	44.6	Very low	241 Å²	241	142.3 Å²	142.3	91%	0.909	74%	0.736	S	S	*	*			trans	-60.6	131.4	152.6	-69.4	175.8	178.5	-170.7	-1.8	109.6
12	L	37.8	Very low	45.8	Very low	163 Å²	163	138.1 Å²	138.1	85%	0.853	71%	0.711	S	S	*	*				176.3	14.1	127.8	-111.8	122.3	0	0	0	115.5
13	D	44.1	Very low	46.7	Very low	133 Å²	133	136.4 Å²	136.4	71%	0.711	70%	0.703	S	S	*	*	S	Bend	trans	-109.3	-0.6	-176.9	-66.4	-45.3	0	0	0	116.1
14	F	40.9	Very low	48.3	Very low	181 Å²	181	134.3 Å²	134.3	79%	0.794	69%	0.689	S	S	*	*	H	α-helix	trans	-85.7	-14.1	-169.3	-106.3	-89.7	0	0	0	116.3	S18	F14-S18 PolarHBondContact O-OG 3.37Å
15	V	46.5	Very low	49.7	Very low	129 Å²	129	130.2 Å²	130.2	78%	0.782	67%	0.671	S	S	*	*	H	α-helix	trans	-87.1	-27.1	-178.2	-176.8	0	0	0	0	112.1
16	H	45.1	Very low	51.1	Low	162 Å²	162	130.6 Å²	130.6	75%	0.75	67%	0.669	S	S	*	*	H	α-helix	trans	-75.8	-31.2	178.3	-104.6	-67.4	0	0	0	113.3	V20	H16-V20 WeakPolarHBondContact O-CG2 3.37Å; H16-V20 PolarHBondContact O-N 3.3Å
17	H	48.2	Very low	52.5	Low	126 Å²	126	126.9 Å²	126.9	58%	0.583	66%	0.657	S	S	*	*	H	α-helix	trans	-72	-37.2	178	-88	-56.8	0	0	0	112.8	G19 V20 F21	H17-G19 PolarHBondContact O-N 3.09Å; H17-V20 PolarHBondContact O-N 3.07Å; H17-F21 WeakPolarHBondContact O-CD2 3.33Å; H17-F21 PolarHBondContact O-N 3.4Å; H17-F21 VanDerWaalsContact O-N 3.09Å
18	S	53	Low	53.8	Low	73 Å²	73	132.2 Å²	132.2	51%	0.51	66%	0.664	S	S	.	*	H	α-helix	trans	-64.9	-36.8	178.4	-53.3	0	0	0	0	112.9	F14 F22	F14-S18 PolarHBondContact O-OG 3.37Å; S18-F22 PolarHBondContact O-N 3.43Å; S18-F22 VanDerWaalsContact O-N 3.07Å
19	G	55.5	Low	55.2	Low	35 Å²	35	131 Å²	131	36%	0.361	65%	0.651	S	S	.	*	H	α-helix	trans	-69	-37.5	177.1	0	0	0	0	0	113.5	H17 F22 L23	H17-G19 PolarHBondContact O-N 3.09Å; G19-F22 PolarHBondContact O-N 2.84Å; G19-L23 WeakPolarHBondContact O-CB 3.35Å; G19-L23 PolarHBondContact O-N 3.11Å
20	V	64.2	Low	56.5	Low	80 Å²	80	131.8 Å²	131.8	49%	0.485	64%	0.638	S	S	.	*	H	α-helix	trans	-70.6	-38.6	177.9	176.7	0	0	0	0	111.3	H16 H17 L23 Q24	H16-V20 WeakPolarHBondContact O-CG2 3.37Å; H16-V20 PolarHBondContact O-N 3.3Å; H17-V20 PolarHBondContact O-N 3.07Å; V20-L23 PolarHBondContact O-N 2.84Å; V20-Q24 PolarHBondContact O-N 3.42Å
21	F	62.2	Low	57.3	Low	131 Å²	131	123.6 Å²	123.6	58%	0.575	62%	0.618	S	S	*	*	H	α-helix	trans	-64.1	-42	173.1	-90.1	-76.4	0	0	0	111.8	H17 L23 Q24 T25	H17-F21 WeakPolarHBondContact O-CD2 3.33Å; H17-F21 PolarHBondContact O-N 3.4Å; H17-F21 VanDerWaalsContact O-N 3.09Å; F21-L23 PolarHBondContact O-N 3.34Å; F21-Q24 PolarHBondContact O-N 2.9Å; F21-T25 WeakPolarHBondContact O-CG2 3.42Å; F21-T25 PolarHBondContact O-N 3.5Å; F21-T25 PolarHBondContact O-OG1 3.33Å; F21-T25 VanDerWaalsContact O-OG1 3.11Å
22	F	66.8	Low	58.1	Low	150 Å²	150	115.2 Å²	115.2	66%	0.658	60%	0.601	S	S	*	*	H	α-helix	trans	-64.1	-41.3	177.2	-121	-88.8	0	0	0	112.5	S18 G19 T25 L26	S18-F22 PolarHBondContact O-N 3.43Å; S18-F22 VanDerWaalsContact O-N 3.07Å; G19-F22 PolarHBondContact O-N 2.84Å; F22-T25 WeakPolarHBondContact CA-OG1 3.49Å; F22-T25 PolarHBondContact O-N 2.87Å; F22-T25 PolarHBondContact O-OG1 3.15Å; F22-L26 WeakPolarHBondContact O-CB 3.49Å; F22-L26 PolarHBondContact O-N 3.4Å
23	L	66.8	Low	58.8	Low	128 Å²	128	112.2 Å²	112.2	67%	0.67	59%	0.589	S	S	*	*	H	α-helix	trans	-66.1	-39	174.9	-95.2	145.9	0	0	0	112.3	G19 V20 F21 L26 L27	G19-L23 WeakPolarHBondContact O-CB 3.35Å; G19-L23 PolarHBondContact O-N 3.11Å; V20-L23 PolarHBondContact O-N 2.84Å; F21-L23 PolarHBondContact O-N 3.34Å; L23-L26 PolarHBondContact O-N 3.45Å; L23-L27 VanDerWaalsContact O-CB 3.23Å; L23-L27 WeakPolarHBondContact O-CB 3.32Å; L23-L27 PolarHBondContact O-N 3.01Å
24	Q	69.4	Low	59	Low	107 Å²	107	111.7 Å²	111.7	50%	0.5	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-41.7	173.3	-96.8	-175	-19.5	0	0	112.1	V20 F21 L27 W28	V20-Q24 PolarHBondContact O-N 3.42Å; F21-Q24 PolarHBondContact O-N 2.9Å; Q24-L27 PolarHBondContact O-N 3.31Å; Q24-W28 WeakPolarHBondContact O-CB 3.33Å; Q24-W28 VanDerWaalsContact O-CD1 3.26Å; Q24-W28 PolarHBondContact O-N 2.94Å
25	T	71.2	Confident	58.8	Low	68 Å²	68	107.4 Å²	107.4	42%	0.417	58%	0.582	S	S	.	*	H	α-helix	trans	-66.8	-38.6	176.1	50.4	0	0	0	0	111.6	F21 F22 L27 W28 I29	F21-T25 WeakPolarHBondContact O-CG2 3.42Å; F21-T25 PolarHBondContact O-N 3.5Å; F21-T25 PolarHBondContact O-OG1 3.33Å; F21-T25 VanDerWaalsContact O-OG1 3.11Å; F22-T25 WeakPolarHBondContact CA-OG1 3.49Å; F22-T25 PolarHBondContact O-N 2.87Å; F22-T25 PolarHBondContact O-OG1 3.15Å; T25-L27 VanDerWaalsContact C-N 3.34Å; T25-W28 PolarHBondContact O-N 3.46Å; T25-I29 WeakPolarHBondContact O-CB 3.2Å; T25-I29 WeakPolarHBondContact O-CD1 3.23Å; T25-I29 WeakPolarHBondContact O-CG1 3.44Å; T25-I29 PolarHBondContact O-N 2.81Å
26	L	71.9	Confident	58.1	Low	93 Å²	93	103.9 Å²	103.9	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-39	175	-131.7	96.7	0	0	0	111.2	F22 L23 I29 L30	F22-L26 WeakPolarHBondContact O-CB 3.49Å; F22-L26 PolarHBondContact O-N 3.4Å; L23-L26 PolarHBondContact O-N 3.45Å; L26-I29 PolarHBondContact O-N 2.81Å; L26-L30 HydrophobicContact CD2-CD1 4.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.46Å
27	L	70.8	Confident	57.6	Low	118 Å²	118	102.8 Å²	102.8	62%	0.618	58%	0.577	S	S	*	*	H	α-helix	trans	-68.7	-35.7	176.3	-161.3	76.3	0	0	0	111.3	L23 Q24 T25 C31	L23-L27 VanDerWaalsContact O-CB 3.23Å; L23-L27 WeakPolarHBondContact O-CB 3.32Å; L23-L27 PolarHBondContact O-N 3.01Å; Q24-L27 PolarHBondContact O-N 3.31Å; T25-L27 VanDerWaalsContact C-N 3.34Å; L27-C31 WeakPolarHBondContact O-CA 3.22Å; L27-C31 WeakPolarHBondContact O-CB 3.45Å; L27-C31 PolarHBondContact O-N 3.31Å
28	W	66.6	Low	57.1	Low	199 Å²	199	104.9 Å²	104.9	75%	0.754	59%	0.587	S	S	*	*	H	α-helix	trans	-68.7	-41	172.8	-93.8	74.9	0	0	0	112.1	Q24 T25 C31 A32	Q24-W28 WeakPolarHBondContact O-CB 3.33Å; Q24-W28 VanDerWaalsContact O-CD1 3.26Å; Q24-W28 PolarHBondContact O-N 2.94Å; T25-W28 PolarHBondContact O-N 3.46Å; W28-C31 PolarHBondContact O-N 2.85Å; W28-A32 VanDerWaalsContact O-CB 3.23Å; W28-A32 WeakPolarHBondContact O-CB 3.42Å; W28-A32 PolarHBondContact O-N 2.78Å
29	I	68.5	Low	56.9	Low	107 Å²	107	109.3 Å²	109.3	55%	0.549	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-45.4	174.7	-67.3	164.3	0	0	0	109.6	T25 L26 C31 A32 T33	T25-I29 WeakPolarHBondContact O-CB 3.2Å; T25-I29 WeakPolarHBondContact O-CD1 3.23Å; T25-I29 WeakPolarHBondContact O-CG1 3.44Å; T25-I29 PolarHBondContact O-N 2.81Å; L26-I29 PolarHBondContact O-N 2.81Å; I29-C31 VanDerWaalsContact C-N 3.34Å; I29-C31 PolarHBondContact O-N 3.41Å; I29-A32 CarbonylContact O-C 3.58Å; I29-A32 PolarHBondContact O-N 3.16Å; I29-T33 HydrophobicContact CG2-CG2 4.38Å; I29-T33 WeakPolarHBondContact O-CB 3.49Å; I29-T33 WeakPolarHBondContact O-CG2 3.4Å; I29-T33 PolarHBondContact O-N 2.9Å; I29-T33 PolarHBondContact O-OG1 3.11Å
30	L	63.2	Low	56.8	Low	91 Å²	91	118.5 Å²	118.5	48%	0.476	63%	0.625	S	S	.	*	H	α-helix	trans	-60	-43.7	173.7	-81.8	159.6	0	0	0	111.1	L26 A32 T33 V34	L26-L30 HydrophobicContact CD2-CD1 4.27Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.46Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.43Å; L30-T33 VanDerWaalsContact CA-OG1 3.29Å; L30-T33 WeakPolarHBondContact CA-OG1 3.08Å; L30-T33 PolarHBondContact O-N 3.03Å; L30-T33 PolarHBondContact O-OG1 2.79Å; L30-V34 VanDerWaalsContact O-CB 3.26Å; L30-V34 WeakPolarHBondContact O-CB 3.5Å; L30-V34 WeakPolarHBondContact O-CG2 3.23Å; L30-V34 PolarHBondContact O-N 3.19Å
31	C	53.5	Low	57.3	Low	80 Å²	80	118 Å²	118	54%	0.541	62%	0.616	S	S	.	*	H	α-helix	trans	-68.1	-32.5	177.5	-155	0	0	0	0	111.8	L27 W28 I29 C35	L27-C31 WeakPolarHBondContact O-CA 3.22Å; L27-C31 WeakPolarHBondContact O-CB 3.45Å; L27-C31 PolarHBondContact O-N 3.31Å; W28-C31 PolarHBondContact O-N 2.85Å; I29-C31 VanDerWaalsContact C-N 3.34Å; I29-C31 PolarHBondContact O-N 3.41Å; C31-C35 WeakPolarHBondContact O-CA 3.45Å; C31-C35 WeakPolarHBondContact O-CB 3.35Å; C31-C35 PolarHBondContact O-N 3.45Å
32	A	53.5	Low	58.4	Low	65 Å²	65	115.9 Å²	115.9	54%	0.537	61%	0.611	S	S	.	*	H	α-helix	trans	-76.1	-30.3	173.7	0	0	0	0	0	112.7	W28 I29 L30 C35	W28-A32 VanDerWaalsContact O-CB 3.23Å; W28-A32 WeakPolarHBondContact O-CB 3.42Å; W28-A32 PolarHBondContact O-N 2.78Å; I29-A32 CarbonylContact O-C 3.58Å; I29-A32 PolarHBondContact O-N 3.16Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.43Å; A32-C35 CarbonylContact O-C 3.45Å
33	T	52.2	Low	59.4	Low	100 Å²	100	109.7 Å²	109.7	61%	0.613	59%	0.585	S	S	*	*	H	α-helix	trans	-80	-24.6	173.3	55.6	0	0	0	0	112.9	I29 L30	I29-T33 HydrophobicContact CG2-CG2 4.38Å; I29-T33 WeakPolarHBondContact O-CB 3.49Å; I29-T33 WeakPolarHBondContact O-CG2 3.4Å; I29-T33 PolarHBondContact O-N 2.9Å; I29-T33 PolarHBondContact O-OG1 3.11Å; L30-T33 VanDerWaalsContact CA-OG1 3.29Å; L30-T33 WeakPolarHBondContact CA-OG1 3.08Å; L30-T33 PolarHBondContact O-N 3.03Å; L30-T33 PolarHBondContact O-OG1 2.79Å
34	V	48	Very low	60.3	Low	122 Å²	122	106.6 Å²	106.6	74%	0.739	57%	0.567	S	S	*	*	H	α-helix	trans	-91.2	-30.1	176	177	0	0	0	0	111.2	L30 G36	L30-V34 VanDerWaalsContact O-CB 3.26Å; L30-V34 WeakPolarHBondContact O-CB 3.5Å; L30-V34 WeakPolarHBondContact O-CG2 3.23Å; L30-V34 PolarHBondContact O-N 3.19Å; V34-G36 PolarHBondContact O-N 2.85Å; V34-G36 VanDerWaalsContact O-N 3.16Å
35	C	37.9	Very low	60.9	Low	92 Å²	92	105.3 Å²	105.3	62%	0.622	57%	0.567	S	S	*	*	S	Bend	trans	-83.9	64.2	159.5	-84.2	0	0	0	0	109.8	C31 A32 T37	C31-C35 WeakPolarHBondContact O-CA 3.45Å; C31-C35 WeakPolarHBondContact O-CB 3.35Å; C31-C35 PolarHBondContact O-N 3.45Å; A32-C35 CarbonylContact O-C 3.45Å; C35-T37 PolarHBondContact O-N 2.78Å
36	G	32.4	Very low	61.7	Low	55 Å²	55	103 Å²	103	57%	0.567	55%	0.55	S	S	*	*			trans	-50.9	131.8	150.5	0	0	0	0	0	107.5	V34 E38	V34-G36 PolarHBondContact O-N 2.85Å; V34-G36 VanDerWaalsContact O-N 3.16Å; G36-E38 VanDerWaalsContact C-N 3.33Å; G36-E38 PolarHBondContact O-N 2.75Å
37	T	34.5	Very low	62.6	Low	138 Å²	138	98.6 Å²	98.6	85%	0.847	53%	0.527	S	S	*	.			trans	-56.6	95.5	178.5	47	0	0	0	0	109	C35 Q39	C35-T37 PolarHBondContact O-N 2.78Å; T37-Q39 PolarHBondContact O-N 3.4Å
38	E	37.2	Very low	63.1	Low	170 Å²	170	95.2 Å²	95.2	79%	0.794	51%	0.509	S	S	*	.			trans	-62.8	97.2	162	-98.9	-157.6	146.2	0	0	105.8	G36 Y40	G36-E38 VanDerWaalsContact C-N 3.33Å; G36-E38 PolarHBondContact O-N 2.75Å; E38-Y40 PolarHBondContact O-N 3.47Å
39	Q	48.8	Very low	63.9	Low	167 Å²	167	89.4 Å²	89.4	78%	0.78	49%	0.489	S	S	*	.			trans	-54.6	112	169.1	-138.3	173.1	0.8	0	0	106	T37 F41	T37-Q39 PolarHBondContact O-N 3.4Å; Q39-F41 PolarHBondContact O-N 2.86Å
40	Y	53.7	Low	64.8	Low	228 Å²	228	84.5 Å²	84.5	89%	0.894	46%	0.463	S	S	*	.			trans	-57.8	104.7	-174.5	-121.6	-96.1	0	0	0	108.8	E38 N42	E38-Y40 PolarHBondContact O-N 3.47Å; Y40-N42 PolarHBondContact O-N 2.92Å
41	F	75.2	Confident	65.9	Low	68 Å²	68	81.4 Å²	81.4	30%	0.298	45%	0.453	S	S	.	.			trans	-68.8	105.5	180	179.3	-97.4	0	0	0	109.3	Q39 V43 W46 M96 K97	Q39-F41 PolarHBondContact O-N 2.86Å; F41-V43 HydrophobicContact CD1-CG2 4.02Å; F41-V43 HydrophobicContact CE1-CG2 3.69Å; F41-V43 PolarHBondContact O-N 2.98Å; F41-W46 HydrophobicContact CE2-CB 4.48Å; F41-W46 AromaticContact CE2-CD1 3.61Å; F41-W46 HydrophobicContact CE2-CG 4.27Å; F41-W46 HydrophobicContact CZ-CB 3.98Å; F41-W46 AromaticContact CZ-CD1 3.55Å; F41-W46 AromaticContact CZ-CG 3.82Å; F41-W46 HydrophobicContact CZ-CG 3.82Å; F41-M96 HydrophobicContact CE1-CB 3.96Å; F41-M96 HydrophobicContact CE1-CE 3.97Å; F41-M96 HydrophobicContact CE1-SD 3.83Å; F41-M96 HydrophobicContact CE2-CB 4.23Å; F41-M96 HydrophobicContact CZ-CB 3.42Å; F41-M96 VanDerWaalsContact CZ-CB 3.42Å; F41-M96 HydrophobicContact CZ-CE 3.83Å; F41-M96 HydrophobicContact CZ-CG 4.23Å; F41-M96 HydrophobicContact CZ-SD 4.01Å; F41-K97 HydrophobicContact CD2-CG 4.33Å
42	N	84.5	Confident	67.5	Low	87 Å²	87	78.4 Å²	78.4	47%	0.465	43%	0.431	S	S	.	.			trans	-93.3	102.1	-178.2	-169.3	-35	0	0	0	110.9	Y40 E44 V45 W46	Y40-N42 PolarHBondContact O-N 2.92Å; N42-E44 VanDerWaalsContact C-N 3.27Å; N42-E44 PolarHBondContact O-N 3.37Å; N42-E44 WeakPolarHBondContact OD1-CB 3.37Å; N42-E44 PolarHBondContact OD1-N 3.25Å; N42-V45 HydrophobicContact CB-CB 4.1Å; N42-V45 HydrophobicContact CB-CG2 4Å; N42-V45 PolarHBondContact O-N 2.74Å; N42-V45 PolarHBondContact OD1-N 2.83Å; N42-W46 PolarHBondContact O-N 3.49Å
43	V	88.3	Confident	68.9	Low	20 Å²	20	75.5 Å²	75.5	12%	0.121	41%	0.406	C	S	.	.	H	α-helix	trans	-55.8	-39.3	178.5	170	0	0	0	0	112.3	F41 W46 L47 M69 L73 V88 M96	F41-V43 HydrophobicContact CD1-CG2 4.02Å; F41-V43 HydrophobicContact CE1-CG2 3.69Å; F41-V43 PolarHBondContact O-N 2.98Å; V43-W46 PolarHBondContact O-N 3.35Å; V43-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CG 4.34Å; V43-L47 WeakPolarHBondContact O-CB 3.33Å; V43-L47 VanDerWaalsContact O-CG 3.29Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 3.27Å; V43-M69 HydrophobicContact CG1-CE 4.13Å; V43-L73 HydrophobicContact CG1-CD2 4.04Å; V43-V88 HydrophobicContact CG1-CG2 3.88Å; V43-V88 HydrophobicContact CG2-CG1 3.74Å; V43-V88 HydrophobicContact CG2-CG2 4.17Å; V43-M96 HydrophobicContact CB-CE 4.32Å; V43-M96 HydrophobicContact CG1-CE 3.96Å; V43-M96 HydrophobicContact CG1-SD 4.46Å; V43-M96 HydrophobicContact CG2-CE 4.4Å; V43-M96 HydrophobicContact CG2-SD 4.35Å
44	E	85	Confident	69.9	Low	63 Å²	63	75 Å²	75	29%	0.294	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-46.5	-178.4	-173.7	-179.4	177	0	0	110.8	N42 W46 L47 Q48 L53 R64 M69	N42-E44 VanDerWaalsContact C-N 3.27Å; N42-E44 PolarHBondContact O-N 3.37Å; N42-E44 WeakPolarHBondContact OD1-CB 3.37Å; N42-E44 PolarHBondContact OD1-N 3.25Å; E44-W46 VanDerWaalsContact C-N 3.29Å; E44-W46 PolarHBondContact O-N 2.87Å; E44-L47 PolarHBondContact O-N 2.94Å; E44-Q48 VanDerWaalsContact O-CG 3.31Å; E44-Q48 WeakPolarHBondContact O-CG 3.48Å; E44-Q48 PolarHBondContact O-N 3.28Å; E44-Q48 PolarHBondContact OE1-NE2 2.74Å; E44-L53 HydrophobicContact CG-CD1 3.98Å; E44-R64 WeakPolarHBondContact OE1-CD 3.3Å; E44-R64 IonicContact OE1-CZ 2.74Å; E44-R64 IonicContact OE1-NE 3.67Å; E44-R64 PolarHBondContact OE1-NE 2.84Å; E44-R64 IonicContact OE1-NH2 3.5Å; E44-M69 HydrophobicContact CB-CE 4.25Å; E44-M69 HydrophobicContact CB-SD 4.49Å; E44-M69 HydrophobicContact CG-SD 4.24Å
45	V	81.5	Confident	70.6	Confident	81 Å²	81	72.8 Å²	72.8	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-41.7	176.9	174.6	0	0	0	0	110.6	N42 Q48 K49	N42-V45 HydrophobicContact CB-CB 4.1Å; N42-V45 HydrophobicContact CB-CG2 4Å; N42-V45 PolarHBondContact O-N 2.74Å; N42-V45 PolarHBondContact OD1-N 2.83Å; V45-Q48 PolarHBondContact O-N 3.44Å; V45-K49 WeakPolarHBondContact O-CB 3.37Å; V45-K49 PolarHBondContact O-N 3.46Å
46	W	88.5	Confident	71.7	Confident	19 Å²	19	71 Å²	71	7%	0.072	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-47.9	176.3	-168.7	105.1	0	0	0	111.8	F41 N42 V43 E44 Q48 K49 Y50 Y52 M76 Y80 M96 F267	F41-W46 HydrophobicContact CE2-CB 4.48Å; F41-W46 AromaticContact CE2-CD1 3.61Å; F41-W46 HydrophobicContact CE2-CG 4.27Å; F41-W46 HydrophobicContact CZ-CB 3.98Å; F41-W46 AromaticContact CZ-CD1 3.55Å; F41-W46 AromaticContact CZ-CG 3.82Å; F41-W46 HydrophobicContact CZ-CG 3.82Å; N42-W46 PolarHBondContact O-N 3.49Å; V43-W46 PolarHBondContact O-N 3.35Å; E44-W46 VanDerWaalsContact C-N 3.29Å; E44-W46 PolarHBondContact O-N 2.87Å; W46-Q48 VanDerWaalsContact C-N 3.28Å; W46-Q48 PolarHBondContact O-N 3.44Å; W46-K49 PolarHBondContact O-N 2.65Å; W46-Y50 AromaticContact CD1-CE2 3.72Å; W46-Y50 AromaticContact CD2-CD2 3.48Å; W46-Y50 HydrophobicContact CD2-CD2 3.48Å; W46-Y50 VanDerWaalsContact CD2-CD2 3.48Å; W46-Y50 AromaticContact CD2-CE2 3.76Å; W46-Y50 HydrophobicContact CD2-CE2 3.76Å; W46-Y50 AromaticContact CE2-CD2 3.5Å; W46-Y50 AromaticContact CE2-CE2 3.46Å; W46-Y50 VanDerWaalsContact CE2-CE2 3.46Å; W46-Y50 AromaticContact CE3-CD2 3.73Å; W46-Y50 HydrophobicContact CE3-CD2 3.73Å; W46-Y50 HydrophobicContact CE3-CE2 4.46Å; W46-Y50 HydrophobicContact CG-CD2 4.01Å; W46-Y50 AromaticContact CG-CE2 3.95Å; W46-Y50 HydrophobicContact CG-CE2 3.95Å; W46-Y50 HydrophobicContact CH2-CD2 4Å; W46-Y50 AromaticContact CZ2-CD2 3.8Å; W46-Y50 HydrophobicContact CZ2-CD2 3.8Å; W46-Y50 AromaticContact CZ2-CE2 3.96Å; W46-Y50 HydrophobicContact CZ2-CE2 3.96Å; W46-Y50 AromaticContact CZ3-CD2 3.97Å; W46-Y50 HydrophobicContact CZ3-CD2 3.97Å; W46-Y50 AromaticContact NE1-CD2 3.99Å; W46-Y50 AromaticContact NE1-CE2 3.46Å; W46-Y50 WeakPolarHBondContact O-CD2 3.42Å; W46-Y50 PolarHBondContact O-N 2.9Å; W46-Y50 VanDerWaalsContact O-N 3.13Å; W46-Y52 HydrophobicContact CZ3-CD2 4.08Å; W46-Y52 HydrophobicContact CZ3-CE2 4.02Å; W46-M76 HydrophobicContact CH2-CE 3.7Å; W46-M76 HydrophobicContact CH2-CG 3.98Å; W46-M76 HydrophobicContact CZ2-CE 4.34Å; W46-M76 HydrophobicContact CZ3-CE 4.09Å; W46-M76 HydrophobicContact CZ3-CG 3.7Å; W46-Y80 AromaticContact CH2-CE2 3.89Å; W46-Y80 HydrophobicContact CH2-CE2 3.89Å; W46-Y80 WeakPolarHBondContact CH2-OH 3.38Å; W46-M96 HydrophobicContact CB-CE 3.68Å; W46-M96 HydrophobicContact CD2-CB 4.27Å; W46-M96 HydrophobicContact CD2-CE 3.28Å; W46-M96 HydrophobicContact CD2-CG 4.11Å; W46-M96 HydrophobicContact CE3-CE 3.22Å; W46-M96 HydrophobicContact CE3-CG 4.3Å; W46-M96 HydrophobicContact CG-CE 3.52Å; W46-M96 HydrophobicContact CH2-CG 4.22Å; W46-M96 HydrophobicContact CZ2-CB 4.07Å; W46-M96 HydrophobicContact CZ2-CG 3.98Å; W46-M96 HydrophobicContact CZ3-CE 3.99Å; W46-M96 HydrophobicContact CZ3-CG 4.38Å; W46-M96 PolarHBondContact NE1-O 3.26Å; W46-F267 HydrophobicContact CZ2-CZ 4.42Å
47	L	90.2	Very high	72.7	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.2	-33.6	178.8	-72	169.6	0	0	0	112.1	V43 E44 G51 Y52 L53 M69 A72 L73 M76 M96	V43-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CG 4.34Å; V43-L47 WeakPolarHBondContact O-CB 3.33Å; V43-L47 VanDerWaalsContact O-CG 3.29Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 3.27Å; E44-L47 PolarHBondContact O-N 2.94Å; L47-G51 PolarHBondContact O-N 3.26Å; L47-Y52 HydrophobicContact CD2-CD2 4.12Å; L47-Y52 HydrophobicContact CD2-CG 4.06Å; L47-Y52 WeakPolarHBondContact O-CA 3.43Å; L47-Y52 PolarHBondContact O-N 3.13Å; L47-L53 HydrophobicContact CB-CB 4.26Å; L47-L53 HydrophobicContact CB-CD1 3.56Å; L47-L53 HydrophobicContact CB-CG 3.78Å; L47-L53 HydrophobicContact CD1-CD1 3.91Å; L47-L53 HydrophobicContact CD1-CG 4.43Å; L47-L53 HydrophobicContact CG-CD1 4.41Å; L47-L53 PolarHBondContact O-N 3.09Å; L47-M69 HydrophobicContact CD1-CE 3.9Å; L47-M69 HydrophobicContact CD1-SD 4.43Å; L47-A72 HydrophobicContact CD1-CB 4.17Å; L47-A72 HydrophobicContact CD2-CB 4.47Å; L47-L73 HydrophobicContact CD1-CD2 3.99Å; L47-L73 HydrophobicContact CD1-CG 4.02Å; L47-L73 HydrophobicContact CD2-CD2 4.36Å; L47-M76 HydrophobicContact CD2-CB 4.15Å; L47-M76 HydrophobicContact CD2-CG 4.41Å; L47-M96 HydrophobicContact CG-CE 4.33Å
48	Q	82.4	Confident	73.3	Confident	48 Å²	48	71.3 Å²	71.3	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-67.8	-46.6	173.5	-71	176	15.2	0	0	111.8	E44 V45 W46 Y50 G51 L53 T56	E44-Q48 VanDerWaalsContact O-CG 3.31Å; E44-Q48 WeakPolarHBondContact O-CG 3.48Å; E44-Q48 PolarHBondContact O-N 3.28Å; E44-Q48 PolarHBondContact OE1-NE2 2.74Å; V45-Q48 PolarHBondContact O-N 3.44Å; W46-Q48 VanDerWaalsContact C-N 3.28Å; W46-Q48 PolarHBondContact O-N 3.44Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 3.37Å; Q48-G51 PolarHBondContact O-N 2.92Å; Q48-L53 WeakPolarHBondContact CA-O 3.31Å; Q48-L53 HydrophobicContact CB-CB 4.48Å; Q48-L53 HydrophobicContact CG-CB 3.7Å; Q48-L53 HydrophobicContact CG-CD1 4.44Å; Q48-T56 PolarHBondContact NE2-OG1 3.46Å
49	K	82.3	Confident	73.6	Confident	77 Å²	77	74 Å²	74	34%	0.335	37%	0.371	S	S	.	.	H	α-helix	trans	-56.2	-44.1	-179.1	-175.1	173.6	-179.1	176.6	0	111.8	V45 W46 D200	V45-K49 WeakPolarHBondContact O-CB 3.37Å; V45-K49 PolarHBondContact O-N 3.46Å; W46-K49 PolarHBondContact O-N 2.65Å; K49-D200 IonicContact NZ-OD2 2.76Å
50	Y	88.4	Confident	73.5	Confident	4 Å²	4	72.5 Å²	72.5	2%	0.016	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.9	-176.5	-58.3	-67.7	0	0	0	114.9	W46 Q48 R100 C101 D105	W46-Y50 AromaticContact CD1-CE2 3.72Å; W46-Y50 AromaticContact CD2-CD2 3.48Å; W46-Y50 HydrophobicContact CD2-CD2 3.48Å; W46-Y50 VanDerWaalsContact CD2-CD2 3.48Å; W46-Y50 AromaticContact CD2-CE2 3.76Å; W46-Y50 HydrophobicContact CD2-CE2 3.76Å; W46-Y50 AromaticContact CE2-CD2 3.5Å; W46-Y50 AromaticContact CE2-CE2 3.46Å; W46-Y50 VanDerWaalsContact CE2-CE2 3.46Å; W46-Y50 AromaticContact CE3-CD2 3.73Å; W46-Y50 HydrophobicContact CE3-CD2 3.73Å; W46-Y50 HydrophobicContact CE3-CE2 4.46Å; W46-Y50 HydrophobicContact CG-CD2 4.01Å; W46-Y50 AromaticContact CG-CE2 3.95Å; W46-Y50 HydrophobicContact CG-CE2 3.95Å; W46-Y50 HydrophobicContact CH2-CD2 4Å; W46-Y50 AromaticContact CZ2-CD2 3.8Å; W46-Y50 HydrophobicContact CZ2-CD2 3.8Å; W46-Y50 AromaticContact CZ2-CE2 3.96Å; W46-Y50 HydrophobicContact CZ2-CE2 3.96Å; W46-Y50 AromaticContact CZ3-CD2 3.97Å; W46-Y50 HydrophobicContact CZ3-CD2 3.97Å; W46-Y50 AromaticContact NE1-CD2 3.99Å; W46-Y50 AromaticContact NE1-CE2 3.46Å; W46-Y50 WeakPolarHBondContact O-CD2 3.42Å; W46-Y50 PolarHBondContact O-N 2.9Å; W46-Y50 VanDerWaalsContact O-N 3.13Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 3.37Å; Y50-R100 VanDerWaalsContact CD1-NH2 3.27Å; Y50-R100 VanDerWaalsContact CG-CZ 3.43Å; Y50-R100 VanDerWaalsContact CZ-CD 3.47Å; Y50-R100 WeakPolarHBondContact OH-CD 3.29Å; Y50-C101 WeakPolarHBondContact CE1-O 3.31Å; Y50-D105 PolarHBondContact O-N 3.36Å
51	G	84.9	Confident	73	Confident	26 Å²	26	66.5 Å²	66.5	27%	0.268	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	9.7	168.7	0	0	0	0	0	116	L47 Q48	L47-G51 PolarHBondContact O-N 3.26Å; Q48-G51 PolarHBondContact O-N 2.92Å
52	Y	88	Confident	71.5	Confident	17 Å²	17	68.9 Å²	68.9	7%	0.067	38%	0.378	C	S	.	.	S	Bend	trans	-80.9	-22.2	174.6	-63.6	-78.3	0	0	0	113	W46 L47 A72 A75 M76 Y80 D105	W46-Y52 HydrophobicContact CZ3-CD2 4.08Å; W46-Y52 HydrophobicContact CZ3-CE2 4.02Å; L47-Y52 HydrophobicContact CD2-CD2 4.12Å; L47-Y52 HydrophobicContact CD2-CG 4.06Å; L47-Y52 WeakPolarHBondContact O-CA 3.43Å; L47-Y52 PolarHBondContact O-N 3.13Å; Y52-A72 WeakPolarHBondContact O-CB 3.37Å; Y52-A75 HydrophobicContact CD1-CB 4.05Å; Y52-A75 HydrophobicContact CE1-CB 4.4Å; Y52-M76 HydrophobicContact CD1-CB 3.83Å; Y52-M76 HydrophobicContact CD2-CB 4.13Å; Y52-M76 HydrophobicContact CD2-CG 4.37Å; Y52-M76 HydrophobicContact CE1-CB 3.71Å; Y52-M76 HydrophobicContact CE1-CG 4.5Å; Y52-M76 HydrophobicContact CE2-CB 3.98Å; Y52-M76 HydrophobicContact CE2-CG 3.99Å; Y52-M76 HydrophobicContact CG-CB 4.05Å; Y52-Y80 PolarHBondContact OH-OH 2.71Å; Y52-D105 HydrophobicContact CE2-CB 4.22Å; Y52-D105 WeakPolarHBondContact CE2-OD2 3.45Å; Y52-D105 PolarHBondContact OH-OD2 2.87Å
53	L	83.8	Confident	70	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.021	40%	0.395	C	S	.	.	S	Bend	trans	-126	138.5	174.5	-73.8	177.2	0	0	0	110.1	E44 L47 Q48 T68 M69 A72	E44-L53 HydrophobicContact CG-CD1 3.98Å; L47-L53 HydrophobicContact CB-CB 4.26Å; L47-L53 HydrophobicContact CB-CD1 3.56Å; L47-L53 HydrophobicContact CB-CG 3.78Å; L47-L53 HydrophobicContact CD1-CD1 3.91Å; L47-L53 HydrophobicContact CD1-CG 4.43Å; L47-L53 HydrophobicContact CG-CD1 4.41Å; L47-L53 PolarHBondContact O-N 3.09Å; Q48-L53 WeakPolarHBondContact CA-O 3.31Å; Q48-L53 HydrophobicContact CB-CB 4.48Å; Q48-L53 HydrophobicContact CG-CB 3.7Å; Q48-L53 HydrophobicContact CG-CD1 4.44Å; L53-T68 HydrophobicContact CD2-CG2 3.79Å; L53-M69 HydrophobicContact CD1-CE 4.49Å; L53-M69 HydrophobicContact CD1-SD 3.51Å; L53-M69 VanDerWaalsContact CD1-SD 3.51Å; L53-A72 HydrophobicContact CD2-CB 3.49Å; L53-A72 VanDerWaalsContact CD2-CB 3.49Å; L53-A72 HydrophobicContact CG-CB 3.73Å
54	P	71.6	Confident	68.7	Low	88 Å²	88	73.9 Å²	73.9	57%	0.571	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-63	148.3	168.6	27.3	-33.9	0	0	0	109.1	R64	P54-R64 VanDerWaalsContact O-CZ 3.28Å; P54-R64 PolarHBondContact O-NH1 2.92Å; P54-R64 PolarHBondContact O-NH2 3.29Å
55	P	63.3	Low	67.8	Low	77 Å²	77	73.3 Å²	73.3	50%	0.5	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.2	139.5	173.8	24.5	-29.5	0	0	0	110.6
56	T	61.1	Low	67.6	Low	53 Å²	53	73.4 Å²	73.4	33%	0.325	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-88.4	138.9	175	6.5	0	0	0	0	110.1	Q48 R64	Q48-T56 PolarHBondContact NE2-OG1 3.46Å; T56-R64 PolarHBondContact OG1-NH2 2.77Å
57	D	53.2	Low	67.3	Low	82 Å²	82	79.3 Å²	79.3	44%	0.439	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61	128.6	161.3	-175	-27.2	0	0	0	107.8	R59 M60	D57-R59 PolarHBondContact O-N 2.77Å; D57-R59 WeakPolarHBondContact OD1-CB 3.17Å; D57-R59 PolarHBondContact OD1-N 3.46Å; D57-M60 HydrophobicContact CB-CB 4.41Å; D57-M60 PolarHBondContact O-N 2.91Å
58	P	46.9	Very low	67	Low	118 Å²	118	82.1 Å²	82.1	77%	0.766	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-50.6	-24.7	174.3	-26.6	33.3	0	0	0	113.7
59	R	44.4	Very low	67.2	Low	226 Å²	226	81.8 Å²	81.8	85%	0.853	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-83.7	-9.3	178	-62.6	179.7	175.8	166.6	0	114.4	D57	D57-R59 PolarHBondContact O-N 2.77Å; D57-R59 WeakPolarHBondContact OD1-CB 3.17Å; D57-R59 PolarHBondContact OD1-N 3.46Å
60	M	46	Very low	67.5	Low	137 Å²	137	83 Å²	83	68%	0.675	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-116.2	33	176.2	-84.1	-153.9	-66.3	0	0	112.4	D57 V62	D57-M60 HydrophobicContact CB-CB 4.41Å; D57-M60 PolarHBondContact O-N 2.91Å; M60-V62 PolarHBondContact O-N 2.84Å
61	S	43.9	Very low	67.5	Low	101 Å²	101	85.8 Å²	85.8	71%	0.706	48%	0.482	S	S	*	.			trans	-66.9	19.2	175.3	77.8	0	0	0	0	114.5	L63	S61-L63 PolarHBondContact O-N 3.42Å
62	V	43.4	Very low	67.8	Low	119 Å²	119	84.7 Å²	84.7	72%	0.721	47%	0.471	S	S	*	.	S	Bend	trans	-87.8	95.1	-176.1	-174.1	0	0	0	0	108.6	M60	M60-V62 PolarHBondContact O-N 2.84Å
63	L	52.6	Low	67.9	Low	159 Å²	159	84.1 Å²	84.1	83%	0.832	47%	0.469	S	S	*	.			trans	48.9	85	164	-73.4	151.5	0	0	0	115.3	S61 S65	S61-L63 PolarHBondContact O-N 3.42Å; L63-S65 PolarHBondContact O-N 2.81Å
64	R	60.5	Low	68.3	Low	53 Å²	53	85.4 Å²	85.4	20%	0.2	48%	0.48	C	S	.	.			trans	-56	135	155	-66.8	-155.3	-168.8	-134.6	-7.6	108.7	E44 P54 T56 A66	E44-R64 WeakPolarHBondContact OE1-CD 3.3Å; E44-R64 IonicContact OE1-CZ 2.74Å; E44-R64 IonicContact OE1-NE 3.67Å; E44-R64 PolarHBondContact OE1-NE 2.84Å; E44-R64 IonicContact OE1-NH2 3.5Å; P54-R64 VanDerWaalsContact O-CZ 3.28Å; P54-R64 PolarHBondContact O-NH1 2.92Å; P54-R64 PolarHBondContact O-NH2 3.29Å; T56-R64 PolarHBondContact OG1-NH2 2.77Å; R64-A66 PolarHBondContact O-N 3.5Å
65	S	66.6	Low	69.1	Low	51 Å²	51	81.9 Å²	81.9	36%	0.357	46%	0.458	S	S	.	.			trans	-60.7	140.8	177	70.2	0	0	0	0	109.3	L63 E67 T68 M69	L63-S65 PolarHBondContact O-N 2.81Å; S65-E67 PolarHBondContact O-N 3.16Å; S65-E67 VanDerWaalsContact O-N 3.11Å; S65-T68 WeakPolarHBondContact O-CB 3.14Å; S65-T68 PolarHBondContact O-N 2.79Å; S65-T68 PolarHBondContact OG-N 3.28Å; S65-T68 VanDerWaalsContact OG-N 3.08Å; S65-T68 PolarHBondContact OG-OG1 3.31Å; S65-M69 PolarHBondContact O-N 2.93Å
66	A	77.5	Confident	70.4	Confident	82 Å²	82	78.2 Å²	78.2	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-52.7	-32.2	172.7	0	0	0	0	0	111.2	R64 M69 Q70	R64-A66 PolarHBondContact O-N 3.5Å; A66-M69 PolarHBondContact O-N 3.22Å; A66-Q70 VanDerWaalsContact O-CB 3.28Å; A66-Q70 WeakPolarHBondContact O-CB 3.48Å; A66-Q70 PolarHBondContact O-N 2.86Å
67	E	81.5	Confident	71.9	Confident	144 Å²	144	75.7 Å²	75.7	67%	0.673	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-44.9	173.8	-63.1	173.5	177.5	0	0	112.5	S65 M69 Q70 S71	S65-E67 PolarHBondContact O-N 3.16Å; S65-E67 VanDerWaalsContact O-N 3.11Å; E67-M69 VanDerWaalsContact C-N 3.35Å; E67-M69 PolarHBondContact O-N 3.43Å; E67-Q70 PolarHBondContact O-N 3.47Å; E67-S71 WeakPolarHBondContact O-CB 3.38Å; E67-S71 PolarHBondContact O-N 2.85Å; E67-S71 PolarHBondContact O-OG 2.87Å; E67-S71 VanDerWaalsContact O-OG 3.12Å
68	T	84.6	Confident	73.6	Confident	59 Å²	59	78 Å²	78	36%	0.362	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-43.4	179.1	-56.9	0	0	0	0	111	L53 S65 A72	L53-T68 HydrophobicContact CD2-CG2 3.79Å; S65-T68 WeakPolarHBondContact O-CB 3.14Å; S65-T68 PolarHBondContact O-N 2.79Å; S65-T68 PolarHBondContact OG-N 3.28Å; S65-T68 VanDerWaalsContact OG-N 3.08Å; S65-T68 PolarHBondContact OG-OG1 3.31Å; T68-A72 WeakPolarHBondContact O-CB 3.26Å; T68-A72 PolarHBondContact O-N 2.99Å
69	M	86.9	Confident	75.4	Confident	40 Å²	40	74.2 Å²	74.2	20%	0.197	40%	0.399	C	S	.	.	H	α-helix	trans	-63.6	-44.5	175.3	-73.9	-64.8	-65.8	0	0	111.5	V43 E44 L47 L53 S65 A66 E67 S71 A72 L73	V43-M69 HydrophobicContact CG1-CE 4.13Å; E44-M69 HydrophobicContact CB-CE 4.25Å; E44-M69 HydrophobicContact CB-SD 4.49Å; E44-M69 HydrophobicContact CG-SD 4.24Å; L47-M69 HydrophobicContact CD1-CE 3.9Å; L47-M69 HydrophobicContact CD1-SD 4.43Å; L53-M69 HydrophobicContact CD1-CE 4.49Å; L53-M69 HydrophobicContact CD1-SD 3.51Å; L53-M69 VanDerWaalsContact CD1-SD 3.51Å; S65-M69 PolarHBondContact O-N 2.93Å; A66-M69 PolarHBondContact O-N 3.22Å; E67-M69 VanDerWaalsContact C-N 3.35Å; E67-M69 PolarHBondContact O-N 3.43Å; M69-S71 PolarHBondContact O-N 2.84Å; M69-A72 PolarHBondContact O-N 3.33Å; M69-L73 WeakPolarHBondContact O-CB 3.47Å; M69-L73 WeakPolarHBondContact O-CG 3.31Å; M69-L73 PolarHBondContact O-N 2.95Å
70	Q	89	Confident	77.2	Confident	102 Å²	102	64.2 Å²	64.2	48%	0.477	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-42.7	178.9	-178.4	173.5	-0.8	0	0	111.8	A66 E67 A74 G86	A66-Q70 VanDerWaalsContact O-CB 3.28Å; A66-Q70 WeakPolarHBondContact O-CB 3.48Å; A66-Q70 PolarHBondContact O-N 2.86Å; E67-Q70 PolarHBondContact O-N 3.47Å; Q70-A74 VanDerWaalsContact O-CB 3.31Å; Q70-A74 WeakPolarHBondContact O-CB 3.26Å; Q70-A74 PolarHBondContact O-N 3.22Å; Q70-G86 WeakPolarHBondContact CA-O 3.19Å; Q70-G86 WeakPolarHBondContact CG-O 3.4Å
71	S	87.9	Confident	79	Confident	63 Å²	63	59.8 Å²	59.8	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-41.1	175.6	-64.4	0	0	0	0	112.3	E67 M69 A74 A75	E67-S71 WeakPolarHBondContact O-CB 3.38Å; E67-S71 PolarHBondContact O-N 2.85Å; E67-S71 PolarHBondContact O-OG 2.87Å; E67-S71 VanDerWaalsContact O-OG 3.12Å; M69-S71 PolarHBondContact O-N 2.84Å; S71-A74 PolarHBondContact O-N 3.49Å; S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 3.4Å
72	A	90.2	Very high	80.8	Confident	3 Å²	3	55.7 Å²	55.7	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-43.8	176.4	0	0	0	0	0	112	L47 Y52 L53 T68 M69 A75 M76	L47-A72 HydrophobicContact CD1-CB 4.17Å; L47-A72 HydrophobicContact CD2-CB 4.47Å; Y52-A72 WeakPolarHBondContact O-CB 3.37Å; L53-A72 HydrophobicContact CD2-CB 3.49Å; L53-A72 VanDerWaalsContact CD2-CB 3.49Å; L53-A72 HydrophobicContact CG-CB 3.73Å; T68-A72 WeakPolarHBondContact O-CB 3.26Å; T68-A72 PolarHBondContact O-N 2.99Å; M69-A72 PolarHBondContact O-N 3.33Å; A72-A75 PolarHBondContact O-N 2.92Å; A72-M76 WeakPolarHBondContact O-CB 3.25Å; A72-M76 PolarHBondContact O-N 3.44Å
73	L	91.8	Very high	82.8	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-44.7	174.3	-74.1	165.4	0	0	0	111.7	V43 L47 M69 A75 M76 Q77 V88 T92	V43-L73 HydrophobicContact CG1-CD2 4.04Å; L47-L73 HydrophobicContact CD1-CD2 3.99Å; L47-L73 HydrophobicContact CD1-CG 4.02Å; L47-L73 HydrophobicContact CD2-CD2 4.36Å; M69-L73 WeakPolarHBondContact O-CB 3.47Å; M69-L73 WeakPolarHBondContact O-CG 3.31Å; M69-L73 PolarHBondContact O-N 2.95Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.26Å; L73-M76 WeakPolarHBondContact O-CB 3.36Å; L73-M76 PolarHBondContact O-N 2.84Å; L73-Q77 WeakPolarHBondContact O-CB 3.32Å; L73-Q77 WeakPolarHBondContact O-CG 3.31Å; L73-Q77 PolarHBondContact O-N 2.69Å; L73-V88 HydrophobicContact CD1-CG2 3.54Å; L73-V88 HydrophobicContact CD2-CG2 4.09Å; L73-V88 HydrophobicContact CG-CG2 4.48Å; L73-T92 HydrophobicContact CD2-CG2 4.23Å
74	A	91	Very high	84.6	Confident	30 Å²	30	52.3 Å²	52.3	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-39.6	177.6	0	0	0	0	0	111.8	Q70 S71 Q77 Q78	Q70-A74 VanDerWaalsContact O-CB 3.31Å; Q70-A74 WeakPolarHBondContact O-CB 3.26Å; Q70-A74 PolarHBondContact O-N 3.22Å; S71-A74 PolarHBondContact O-N 3.49Å; A74-Q77 PolarHBondContact O-N 2.81Å; A74-Q78 WeakPolarHBondContact O-CB 3.46Å; A74-Q78 PolarHBondContact O-N 3.26Å
75	A	88.9	Confident	85.9	Confident	14 Å²	14	52.3 Å²	52.3	12%	0.116	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-41.8	176.1	0	0	0	0	0	112.3	Y52 S71 A72 L73 Q78 F79 F113	Y52-A75 HydrophobicContact CD1-CB 4.05Å; Y52-A75 HydrophobicContact CE1-CB 4.4Å; S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 3.4Å; A72-A75 PolarHBondContact O-N 2.92Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.26Å; A75-Q78 PolarHBondContact O-N 2.92Å; A75-F79 WeakPolarHBondContact O-CB 3.42Å; A75-F79 PolarHBondContact O-N 3.5Å; A75-F113 HydrophobicContact CB-CE1 4.19Å
76	M	91.4	Very high	87	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-50.6	172.4	176.2	-79.9	-165.2	0	0	111.2	W46 L47 Y52 A72 L73 Q78 F79 Y80 I82 T92 W95 M96	W46-M76 HydrophobicContact CH2-CE 3.7Å; W46-M76 HydrophobicContact CH2-CG 3.98Å; W46-M76 HydrophobicContact CZ2-CE 4.34Å; W46-M76 HydrophobicContact CZ3-CE 4.09Å; W46-M76 HydrophobicContact CZ3-CG 3.7Å; L47-M76 HydrophobicContact CD2-CB 4.15Å; L47-M76 HydrophobicContact CD2-CG 4.41Å; Y52-M76 HydrophobicContact CD1-CB 3.83Å; Y52-M76 HydrophobicContact CD2-CB 4.13Å; Y52-M76 HydrophobicContact CD2-CG 4.37Å; Y52-M76 HydrophobicContact CE1-CB 3.71Å; Y52-M76 HydrophobicContact CE1-CG 4.5Å; Y52-M76 HydrophobicContact CE2-CB 3.98Å; Y52-M76 HydrophobicContact CE2-CG 3.99Å; Y52-M76 HydrophobicContact CG-CB 4.05Å; A72-M76 WeakPolarHBondContact O-CB 3.25Å; A72-M76 PolarHBondContact O-N 3.44Å; L73-M76 WeakPolarHBondContact O-CB 3.36Å; L73-M76 PolarHBondContact O-N 2.84Å; M76-Q78 VanDerWaalsContact C-N 3.29Å; M76-Q78 PolarHBondContact O-N 2.72Å; M76-F79 PolarHBondContact O-N 3.37Å; M76-F79 VanDerWaalsContact O-N 3.16Å; M76-Y80 HydrophobicContact CE-CD2 3.69Å; M76-Y80 HydrophobicContact CE-CE2 3.46Å; M76-Y80 VanDerWaalsContact CE-CE2 3.46Å; M76-Y80 HydrophobicContact CG-CD2 3.92Å; M76-Y80 HydrophobicContact CG-CE2 3.42Å; M76-Y80 VanDerWaalsContact CG-CE2 3.42Å; M76-Y80 WeakPolarHBondContact O-CD2 3.3Å; M76-Y80 PolarHBondContact O-N 3.33Å; M76-Y80 HydrophobicContact SD-CD2 3.56Å; M76-Y80 VanDerWaalsContact SD-CD2 3.56Å; M76-Y80 HydrophobicContact SD-CE2 3.59Å; M76-Y80 VanDerWaalsContact SD-CE2 3.59Å; M76-I82 HydrophobicContact CE-CD1 4.39Å; M76-I82 HydrophobicContact SD-CD1 4.02Å; M76-T92 HydrophobicContact CE-CG2 4.38Å; M76-T92 HydrophobicContact SD-CG2 4.45Å; M76-W95 HydrophobicContact CE-CB 4.44Å; M76-M96 HydrophobicContact CE-CG 3.36Å; M76-M96 HydrophobicContact CE-SD 4.4Å
77	Q	91.1	Very high	87.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-41.9	-179.6	-72.8	166.9	-18.6	0	0	111.9	L73 A74 Y80 G81 I82 N83 M84 T85 K87 T92	L73-Q77 WeakPolarHBondContact O-CB 3.32Å; L73-Q77 WeakPolarHBondContact O-CG 3.31Å; L73-Q77 PolarHBondContact O-N 2.69Å; A74-Q77 PolarHBondContact O-N 2.81Å; Q77-Y80 PolarHBondContact O-N 2.92Å; Q77-G81 PolarHBondContact O-N 2.81Å; Q77-I82 HydrophobicContact CB-CD1 4.13Å; Q77-I82 HydrophobicContact CB-CG1 3.67Å; Q77-I82 HydrophobicContact CG-CD1 3.68Å; Q77-I82 HydrophobicContact CG-CG1 3.78Å; Q77-I82 WeakPolarHBondContact O-CG1 3.17Å; Q77-I82 PolarHBondContact O-N 2.98Å; Q77-N83 PolarHBondContact OE1-O 2.88Å; Q77-M84 HydrophobicContact CB-CG 4.36Å; Q77-T85 PolarHBondContact NE2-OG1 3.37Å; Q77-K87 PolarHBondContact NE2-O 2.77Å; Q77-K87 VanDerWaalsContact NE2-O 3.17Å; Q77-T92 PolarHBondContact NE2-OG1 3.41Å
78	Q	88.5	Confident	88	Confident	130 Å²	130	49.4 Å²	49.4	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-44.4	176	-175.4	179.7	2.6	0	0	112.2	A74 A75 M76 Y80 G81 M84	A74-Q78 WeakPolarHBondContact O-CB 3.46Å; A74-Q78 PolarHBondContact O-N 3.26Å; A75-Q78 PolarHBondContact O-N 2.92Å; M76-Q78 VanDerWaalsContact C-N 3.29Å; M76-Q78 PolarHBondContact O-N 2.72Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.82Å; Q78-G81 PolarHBondContact O-N 2.97Å; Q78-M84 HydrophobicContact CB-CG 4.05Å; Q78-M84 HydrophobicContact CB-SD 3.59Å; Q78-M84 VanDerWaalsContact CB-SD 3.59Å; Q78-M84 HydrophobicContact CG-SD 3.71Å
79	F	85.1	Confident	88.2	Confident	40 Å²	40	48.8 Å²	48.8	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-40	-178.2	-171.4	-81.4	0	0	0	111.3	A75 M76 D105 H256 N258 P266	A75-F79 WeakPolarHBondContact O-CB 3.42Å; A75-F79 PolarHBondContact O-N 3.5Å; M76-F79 PolarHBondContact O-N 3.37Å; M76-F79 VanDerWaalsContact O-N 3.16Å; F79-D105 HydrophobicContact CE1-CB 4.39Å; F79-D105 HydrophobicContact CE2-CB 4.48Å; F79-D105 HydrophobicContact CZ-CB 4.29Å; F79-H256 HydrophobicContact CZ-CB 4.17Å; F79-N258 HydrophobicContact CD1-CB 4.41Å; F79-N258 HydrophobicContact CD2-CB 4.23Å; F79-N258 HydrophobicContact CE1-CB 4.26Å; F79-N258 HydrophobicContact CE2-CB 4.07Å; F79-N258 HydrophobicContact CG-CB 4.41Å; F79-N258 HydrophobicContact CZ-CB 4.09Å; F79-P266 HydrophobicContact CE1-CG 3.75Å
80	Y	83.6	Confident	88.4	Confident	15 Å²	15	56.2 Å²	56.2	6%	0.059	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.9	-179	-52.5	-46.3	0	0	0	114.9	W46 Y52 M76 Q77 Q78 I82 R100 D105 P266 F267	W46-Y80 AromaticContact CH2-CE2 3.89Å; W46-Y80 HydrophobicContact CH2-CE2 3.89Å; W46-Y80 WeakPolarHBondContact CH2-OH 3.38Å; Y52-Y80 PolarHBondContact OH-OH 2.71Å; M76-Y80 HydrophobicContact CE-CD2 3.69Å; M76-Y80 HydrophobicContact CE-CE2 3.46Å; M76-Y80 VanDerWaalsContact CE-CE2 3.46Å; M76-Y80 HydrophobicContact CG-CD2 3.92Å; M76-Y80 HydrophobicContact CG-CE2 3.42Å; M76-Y80 VanDerWaalsContact CG-CE2 3.42Å; M76-Y80 WeakPolarHBondContact O-CD2 3.3Å; M76-Y80 PolarHBondContact O-N 3.33Å; M76-Y80 HydrophobicContact SD-CD2 3.56Å; M76-Y80 VanDerWaalsContact SD-CD2 3.56Å; M76-Y80 HydrophobicContact SD-CE2 3.59Å; M76-Y80 VanDerWaalsContact SD-CE2 3.59Å; Q77-Y80 PolarHBondContact O-N 2.92Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.82Å; Y80-I82 PolarHBondContact O-N 2.71Å; Y80-R100 PolarHBondContact OH-NH1 3.02Å; Y80-D105 PolarHBondContact OH-OD2 2.96Å; Y80-P266 HydrophobicContact CE1-CB 4.28Å; Y80-P266 HydrophobicContact CE1-CG 3.97Å; Y80-F267 AromaticContact CD1-CD2 3.99Å; Y80-F267 HydrophobicContact CD1-CD2 3.99Å; Y80-F267 AromaticContact CD1-CE2 3.5Å; Y80-F267 HydrophobicContact CD1-CE2 3.5Å; Y80-F267 VanDerWaalsContact CD1-CE2 3.5Å; Y80-F267 AromaticContact CD2-CE2 3.53Å; Y80-F267 HydrophobicContact CD2-CE2 3.53Å; Y80-F267 HydrophobicContact CD2-CZ 4.05Å; Y80-F267 HydrophobicContact CE1-CD2 4.18Å; Y80-F267 AromaticContact CE1-CE2 3.57Å; Y80-F267 HydrophobicContact CE1-CE2 3.57Å; Y80-F267 HydrophobicContact CE1-CZ 4.32Å; Y80-F267 AromaticContact CE2-CE2 3.5Å; Y80-F267 HydrophobicContact CE2-CE2 3.5Å; Y80-F267 VanDerWaalsContact CE2-CE2 3.5Å; Y80-F267 AromaticContact CE2-CZ 3.68Å; Y80-F267 HydrophobicContact CE2-CZ 3.68Å; Y80-F267 HydrophobicContact CG-CD2 4.3Å; Y80-F267 AromaticContact CG-CE2 3.53Å; Y80-F267 HydrophobicContact CG-CE2 3.53Å; Y80-F267 HydrophobicContact CG-CZ 4.46Å; Y80-F267 AromaticContact CZ-CE2 3.57Å; Y80-F267 AromaticContact CZ-CZ 3.87Å
81	G	82.4	Confident	88.3	Confident	44 Å²	44	54.5 Å²	54.5	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	25.6	-177	0	0	0	0	0	113.9	Q77 Q78	Q77-G81 PolarHBondContact O-N 2.81Å; Q78-G81 PolarHBondContact O-N 2.97Å
82	I	83.3	Confident	88.4	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.077	27%	0.267	C	S	.	.	S	Bend	trans	-92.2	163	172.3	64.1	172.1	0	0	0	109.7	M76 Q77 Y80 M84 W95	M76-I82 HydrophobicContact CE-CD1 4.39Å; M76-I82 HydrophobicContact SD-CD1 4.02Å; Q77-I82 HydrophobicContact CB-CD1 4.13Å; Q77-I82 HydrophobicContact CB-CG1 3.67Å; Q77-I82 HydrophobicContact CG-CD1 3.68Å; Q77-I82 HydrophobicContact CG-CG1 3.78Å; Q77-I82 WeakPolarHBondContact O-CG1 3.17Å; Q77-I82 PolarHBondContact O-N 2.98Å; Y80-I82 PolarHBondContact O-N 2.71Å; I82-M84 PolarHBondContact O-N 3.07Å; I82-M84 VanDerWaalsContact O-N 3.11Å; I82-W95 HydrophobicContact CD1-CB 4.25Å; I82-W95 HydrophobicContact CD1-CG 4.07Å; I82-W95 HydrophobicContact CG2-CD2 3.77Å; I82-W95 VanDerWaalsContact CG2-CE2 3.41Å; I82-W95 HydrophobicContact CG2-CE3 4.47Å; I82-W95 HydrophobicContact CG2-CG 4.02Å; I82-W95 HydrophobicContact CG2-CZ2 3.88Å
83	N	85	Confident	88.4	Confident	91 Å²	91	53.6 Å²	53.6	49%	0.487	28%	0.277	S	S	.	.			trans	-56.5	120.6	-176.9	-75.6	-11.6	0	0	0	111.2	Q77 T85	Q77-N83 PolarHBondContact OE1-O 2.88Å; N83-T85 VanDerWaalsContact C-N 3.29Å; N83-T85 HydrophobicContact CB-CG2 4.26Å; N83-T85 PolarHBondContact O-N 2.9Å
84	M	88.7	Confident	88.2	Confident	117 Å²	117	57 Å²	57	58%	0.576	30%	0.296	S	S	*	.			trans	-75.8	76.2	-179	-63.2	-179.8	-67.1	0	0	111.1	Q77 Q78 I82	Q77-M84 HydrophobicContact CB-CG 4.36Å; Q78-M84 HydrophobicContact CB-CG 4.05Å; Q78-M84 HydrophobicContact CB-SD 3.59Å; Q78-M84 VanDerWaalsContact CB-SD 3.59Å; Q78-M84 HydrophobicContact CG-SD 3.71Å; I82-M84 PolarHBondContact O-N 3.07Å; I82-M84 VanDerWaalsContact O-N 3.11Å
85	T	89.4	Confident	88.1	Confident	53 Å²	53	56.2 Å²	56.2	33%	0.325	29%	0.286	S	S	.	.			trans	-85.3	-22.6	178.1	65.8	0	0	0	0	112.8	Q77 N83 K87 D89	Q77-T85 PolarHBondContact NE2-OG1 3.37Å; N83-T85 VanDerWaalsContact C-N 3.29Å; N83-T85 HydrophobicContact CB-CG2 4.26Å; N83-T85 PolarHBondContact O-N 2.9Å; T85-K87 PolarHBondContact O-N 3.28Å; T85-K87 PolarHBondContact OG1-N 2.92Å; T85-K87 PolarHBondContact OG1-O 3.42Å; T85-D89 WeakPolarHBondContact CB-OD2 3.16Å; T85-D89 VanDerWaalsContact CG2-OD2 3.25Å; T85-D89 WeakPolarHBondContact CG2-OD2 3.4Å; T85-D89 PolarHBondContact OG1-OD2 3.27Å
86	G	89	Confident	88.1	Confident	7 Å²	7	55.8 Å²	55.8	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	63.7	12	-168.3	0	0	0	0	0	113.4	Q70	Q70-G86 WeakPolarHBondContact CA-O 3.19Å; Q70-G86 WeakPolarHBondContact CG-O 3.4Å
87	K	90.9	Very high	87.9	Confident	144 Å²	144	61.2 Å²	61.2	63%	0.626	31%	0.305	S	S	*	.	S	Bend	trans	-120.1	150.5	-174.1	-66.4	176.2	-174.8	179.3	0	110.2	Q77 T85 D89 T92	Q77-K87 PolarHBondContact NE2-O 2.77Å; Q77-K87 VanDerWaalsContact NE2-O 3.17Å; T85-K87 PolarHBondContact O-N 3.28Å; T85-K87 PolarHBondContact OG1-N 2.92Å; T85-K87 PolarHBondContact OG1-O 3.42Å; K87-D89 PolarHBondContact O-N 2.84Å; K87-T92 PolarHBondContact O-OG1 3.2Å
88	V	89	Confident	87.7	Confident	65 Å²	65	63.8 Å²	63.8	39%	0.394	32%	0.317	S	S	.	.			trans	-77.5	74.3	169.8	-170.3	0	0	0	0	108.6	V43 L73 I93	V43-V88 HydrophobicContact CG1-CG2 3.88Å; V43-V88 HydrophobicContact CG2-CG1 3.74Å; V43-V88 HydrophobicContact CG2-CG2 4.17Å; L73-V88 HydrophobicContact CD1-CG2 3.54Å; L73-V88 HydrophobicContact CD2-CG2 4.09Å; L73-V88 HydrophobicContact CG-CG2 4.48Å; V88-I93 HydrophobicContact CG1-CD1 3.74Å; V88-I93 HydrophobicContact CG1-CG1 3.52Å
89	D	89.8	Confident	87.8	Confident	45 Å²	45	58.8 Å²	58.8	24%	0.241	30%	0.296	C	S	.	.			trans	-84.9	166.2	172.4	57.2	50.6	0	0	0	111.7	T85 K87 N91 T92 I93	T85-D89 WeakPolarHBondContact CB-OD2 3.16Å; T85-D89 VanDerWaalsContact CG2-OD2 3.25Å; T85-D89 WeakPolarHBondContact CG2-OD2 3.4Å; T85-D89 PolarHBondContact OG1-OD2 3.27Å; K87-D89 PolarHBondContact O-N 2.84Å; D89-N91 VanDerWaalsContact C-N 3.26Å; D89-N91 PolarHBondContact O-N 3.06Å; D89-N91 PolarHBondContact OD1-N 2.85Å; D89-T92 VanDerWaalsContact CG-OG1 3.31Å; D89-T92 WeakPolarHBondContact O-CB 3.37Å; D89-T92 PolarHBondContact O-N 3.23Å; D89-T92 WeakPolarHBondContact OD1-CB 3.39Å; D89-T92 PolarHBondContact OD1-N 3.14Å; D89-T92 PolarHBondContact OD1-OG1 3.07Å; D89-I93 PolarHBondContact O-N 3.29Å
90	R	89.5	Confident	88.2	Confident	196 Å²	196	57 Å²	57	74%	0.74	29%	0.288	S	S	*	.	H	α-helix	trans	-54.7	-44.5	-177.7	-167.8	-178.6	79.2	176	2.5	111.7	T92 I93 D94	R90-T92 VanDerWaalsContact C-N 3.35Å; R90-T92 PolarHBondContact O-N 3.23Å; R90-I93 PolarHBondContact O-N 2.81Å; R90-D94 WeakPolarHBondContact O-CB 3.41Å; R90-D94 PolarHBondContact O-N 2.94Å
91	N	88	Confident	88.7	Confident	66 Å²	66	56.5 Å²	56.5	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-46.5	177.2	178.3	67.2	0	0	0	110.7	D89 I93 D94 W95	D89-N91 VanDerWaalsContact C-N 3.26Å; D89-N91 PolarHBondContact O-N 3.06Å; D89-N91 PolarHBondContact OD1-N 2.85Å; N91-I93 VanDerWaalsContact C-N 3.35Å; N91-I93 PolarHBondContact O-N 3.38Å; N91-D94 PolarHBondContact O-N 3.29Å; N91-W95 PolarHBondContact O-N 3.49Å; N91-W95 PolarHBondContact OD1-NE1 3.28Å
92	T	89.7	Confident	89	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-44.4	177.4	-57.1	0	0	0	0	111.7	L73 M76 Q77 K87 D89 R90 W95 M96	L73-T92 HydrophobicContact CD2-CG2 4.23Å; M76-T92 HydrophobicContact CE-CG2 4.38Å; M76-T92 HydrophobicContact SD-CG2 4.45Å; Q77-T92 PolarHBondContact NE2-OG1 3.41Å; K87-T92 PolarHBondContact O-OG1 3.2Å; D89-T92 VanDerWaalsContact CG-OG1 3.31Å; D89-T92 WeakPolarHBondContact O-CB 3.37Å; D89-T92 PolarHBondContact O-N 3.23Å; D89-T92 WeakPolarHBondContact OD1-CB 3.39Å; D89-T92 PolarHBondContact OD1-N 3.14Å; D89-T92 PolarHBondContact OD1-OG1 3.07Å; R90-T92 VanDerWaalsContact C-N 3.35Å; R90-T92 PolarHBondContact O-N 3.23Å; T92-W95 WeakPolarHBondContact O-CB 3.36Å; T92-W95 PolarHBondContact O-N 2.8Å; T92-M96 HydrophobicContact CG2-SD 4.08Å; T92-M96 VanDerWaalsContact O-CG 3.23Å; T92-M96 WeakPolarHBondContact O-CG 3.45Å; T92-M96 PolarHBondContact O-N 3.1Å
93	I	90.2	Very high	89.3	Confident	48 Å²	48	54.8 Å²	54.8	25%	0.246	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-45.4	175.5	-63.2	174.7	0	0	0	111	V88 D89 R90 N91 W95 M96 K97	V88-I93 HydrophobicContact CG1-CD1 3.74Å; V88-I93 HydrophobicContact CG1-CG1 3.52Å; D89-I93 PolarHBondContact O-N 3.29Å; R90-I93 PolarHBondContact O-N 2.81Å; N91-I93 VanDerWaalsContact C-N 3.35Å; N91-I93 PolarHBondContact O-N 3.38Å; I93-W95 PolarHBondContact O-N 3.3Å; I93-M96 PolarHBondContact O-N 3.32Å; I93-M96 VanDerWaalsContact O-N 3.08Å; I93-K97 HydrophobicContact CG2-CD 4Å; I93-K97 HydrophobicContact CG2-CG 4.32Å; I93-K97 WeakPolarHBondContact O-CG 3.45Å; I93-K97 PolarHBondContact O-N 3.27Å
94	D	87.7	Confident	89.4	Confident	77 Å²	77	53.1 Å²	53.1	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-58.6	-38.8	178.7	-64.1	-22.6	0	0	0	110.7	R90 N91 K98	R90-D94 WeakPolarHBondContact O-CB 3.41Å; R90-D94 PolarHBondContact O-N 2.94Å; N91-D94 PolarHBondContact O-N 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.39Å; D94-K98 PolarHBondContact O-N 2.85Å
95	W	88.3	Confident	89.4	Confident	14 Å²	14	48.3 Å²	48.3	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-46.9	172.1	-82.5	98.9	0	0	0	112.6	M76 I82 N91 T92 I93 K97 K98 F267 Y383	M76-W95 HydrophobicContact CE-CB 4.44Å; I82-W95 HydrophobicContact CD1-CB 4.25Å; I82-W95 HydrophobicContact CD1-CG 4.07Å; I82-W95 HydrophobicContact CG2-CD2 3.77Å; I82-W95 VanDerWaalsContact CG2-CE2 3.41Å; I82-W95 HydrophobicContact CG2-CE3 4.47Å; I82-W95 HydrophobicContact CG2-CG 4.02Å; I82-W95 HydrophobicContact CG2-CZ2 3.88Å; N91-W95 PolarHBondContact O-N 3.49Å; N91-W95 PolarHBondContact OD1-NE1 3.28Å; T92-W95 WeakPolarHBondContact O-CB 3.36Å; T92-W95 PolarHBondContact O-N 2.8Å; I93-W95 PolarHBondContact O-N 3.3Å; W95-K97 PolarHBondContact O-N 2.78Å; W95-K98 HydrophobicContact CD2-CD 4.37Å; W95-K98 HydrophobicContact CE3-CD 3.82Å; W95-K98 HydrophobicContact CZ3-CD 3.94Å; W95-K98 VanDerWaalsContact CZ3-NZ 3.32Å; W95-K98 WeakPolarHBondContact O-CB 3.36Å; W95-K98 PolarHBondContact O-N 2.99Å; W95-K98 VanDerWaalsContact O-N 3.1Å; W95-F267 AromaticContact CE3-CD2 3.97Å; W95-F267 HydrophobicContact CE3-CD2 3.97Å; W95-F267 AromaticContact CE3-CE2 3.85Å; W95-F267 HydrophobicContact CE3-CE2 3.85Å; W95-F267 HydrophobicContact CE3-CG 4.45Å; W95-F267 HydrophobicContact CE3-CZ 4.28Å; W95-F267 HydrophobicContact CZ3-CD2 4.06Å; W95-F267 HydrophobicContact CZ3-CE2 4.37Å; W95-F267 HydrophobicContact CZ3-CG 4.47Å; W95-F267 WeakPolarHBondContact O-CE1 3.49Å; W95-F267 WeakPolarHBondContact O-CZ 3.43Å; W95-Y383 AromaticContact CH2-CE1 3.5Å; W95-Y383 HydrophobicContact CH2-CE1 3.5Å; W95-Y383 VanDerWaalsContact CH2-CE1 3.5Å; W95-Y383 HydrophobicContact CH2-CE2 4.23Å; W95-Y383 AromaticContact CH2-CZ 3.34Å; W95-Y383 WeakPolarHBondContact CH2-OH 3.41Å; W95-Y383 HydrophobicContact CZ2-CE1 4.31Å; W95-Y383 HydrophobicContact CZ3-CE1 4.36Å; W95-Y383 HydrophobicContact CZ3-CE2 4.45Å; W95-Y383 AromaticContact CZ3-CZ 3.75Å; W95-Y383 WeakPolarHBondContact CZ3-OH 3.45Å
96	M	89.9	Confident	88.5	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-24.2	-178.9	-66.5	171.3	91.7	0	0	113.5	F41 V43 W46 L47 M76 T92 I93	F41-M96 HydrophobicContact CE1-CB 3.96Å; F41-M96 HydrophobicContact CE1-CE 3.97Å; F41-M96 HydrophobicContact CE1-SD 3.83Å; F41-M96 HydrophobicContact CE2-CB 4.23Å; F41-M96 HydrophobicContact CZ-CB 3.42Å; F41-M96 VanDerWaalsContact CZ-CB 3.42Å; F41-M96 HydrophobicContact CZ-CE 3.83Å; F41-M96 HydrophobicContact CZ-CG 4.23Å; F41-M96 HydrophobicContact CZ-SD 4.01Å; V43-M96 HydrophobicContact CB-CE 4.32Å; V43-M96 HydrophobicContact CG1-CE 3.96Å; V43-M96 HydrophobicContact CG1-SD 4.46Å; V43-M96 HydrophobicContact CG2-CE 4.4Å; V43-M96 HydrophobicContact CG2-SD 4.35Å; W46-M96 HydrophobicContact CB-CE 3.68Å; W46-M96 HydrophobicContact CD2-CB 4.27Å; W46-M96 HydrophobicContact CD2-CE 3.28Å; W46-M96 HydrophobicContact CD2-CG 4.11Å; W46-M96 HydrophobicContact CE3-CE 3.22Å; W46-M96 HydrophobicContact CE3-CG 4.3Å; W46-M96 HydrophobicContact CG-CE 3.52Å; W46-M96 HydrophobicContact CH2-CG 4.22Å; W46-M96 HydrophobicContact CZ2-CB 4.07Å; W46-M96 HydrophobicContact CZ2-CG 3.98Å; W46-M96 HydrophobicContact CZ3-CE 3.99Å; W46-M96 HydrophobicContact CZ3-CG 4.38Å; W46-M96 PolarHBondContact NE1-O 3.26Å; L47-M96 HydrophobicContact CG-CE 4.33Å; M76-M96 HydrophobicContact CE-CG 3.36Å; M76-M96 HydrophobicContact CE-SD 4.4Å; T92-M96 HydrophobicContact CG2-SD 4.08Å; T92-M96 VanDerWaalsContact O-CG 3.23Å; T92-M96 WeakPolarHBondContact O-CG 3.45Å; T92-M96 PolarHBondContact O-N 3.1Å; I93-M96 PolarHBondContact O-N 3.32Å; I93-M96 VanDerWaalsContact O-N 3.08Å
97	K	87.6	Confident	87.1	Confident	114 Å²	114	50.6 Å²	50.6	50%	0.496	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-7.3	176	-70.6	-177.9	175.6	-173.4	0	113.9	F41 I93 W95	F41-K97 HydrophobicContact CD2-CG 4.33Å; I93-K97 HydrophobicContact CG2-CD 4Å; I93-K97 HydrophobicContact CG2-CG 4.32Å; I93-K97 WeakPolarHBondContact O-CG 3.45Å; I93-K97 PolarHBondContact O-N 3.27Å; W95-K97 PolarHBondContact O-N 2.78Å
98	K	86.7	Confident	85	Confident	55 Å²	55	54.2 Å²	54.2	24%	0.239	26%	0.259	C	S	.	.	S	Bend	trans	-68.7	143.8	177.3	-75.8	-177.3	-177.9	-179.9	0	110.8	D94 W95 R100 F267	D94-K98 WeakPolarHBondContact O-CG 3.39Å; D94-K98 PolarHBondContact O-N 2.85Å; W95-K98 HydrophobicContact CD2-CD 4.37Å; W95-K98 HydrophobicContact CE3-CD 3.82Å; W95-K98 HydrophobicContact CZ3-CD 3.94Å; W95-K98 VanDerWaalsContact CZ3-NZ 3.32Å; W95-K98 WeakPolarHBondContact O-CB 3.36Å; W95-K98 PolarHBondContact O-N 2.99Å; W95-K98 VanDerWaalsContact O-N 3.1Å; K98-R100 PolarHBondContact O-N 2.86Å; K98-F267 HydrophobicContact CB-CD1 3.7Å; K98-F267 HydrophobicContact CB-CE1 4.04Å
99	P	90.5	Very high	82.7	Confident	25 Å²	25	54.4 Å²	54.4	16%	0.162	27%	0.274	C	S	.	.			trans	-57.4	137.1	173.2	23.3	-32.7	0	0	0	110.8	G204 L206 Y268	P99-G204 CarbonylContact C-O 3.48Å; P99-G204 VanDerWaalsContact CA-O 3.31Å; P99-G204 WeakPolarHBondContact CA-O 3.17Å; P99-L206 HydrophobicContact CB-CD1 4.08Å; P99-L206 HydrophobicContact CB-CD2 3.59Å; P99-L206 HydrophobicContact CB-CG 3.94Å; P99-Y268 HydrophobicContact CG-CD1 4.44Å; P99-Y268 WeakPolarHBondContact O-CB 3.36Å; P99-Y268 PolarHBondContact O-N 3.03Å
100	R	93	Very high	80.4	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.008	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-151.2	171.1	-175.2	59.9	170.9	-66.4	169.1	12.6	112.7	Y50 Y80 K98 D105 G204 F205 L206 P266 F267	Y50-R100 VanDerWaalsContact CD1-NH2 3.27Å; Y50-R100 VanDerWaalsContact CG-CZ 3.43Å; Y50-R100 VanDerWaalsContact CZ-CD 3.47Å; Y50-R100 WeakPolarHBondContact OH-CD 3.29Å; Y80-R100 PolarHBondContact OH-NH1 3.02Å; K98-R100 PolarHBondContact O-N 2.86Å; R100-D105 IonicContact CZ-OD2 3.9Å; R100-D105 IonicContact NH1-OD2 2.9Å; R100-D105 PolarHBondContact NH1-OD2 3.23Å; R100-D105 IonicContact NH2-OD1 3.26Å; R100-D105 PolarHBondContact NH2-OD1 3.25Å; R100-D105 IonicContact NH2-OD2 3.94Å; R100-D105 PolarHBondContact NH2-OD2 3.02Å; R100-G204 PolarHBondContact N-O 3.14Å; R100-F205 CarbonylContact O-C 3.52Å; R100-F205 WeakPolarHBondContact O-CA 3.38Å; R100-L206 PolarHBondContact O-N 2.85Å; R100-P266 CarbonylContact C-O 3.58Å; R100-P266 WeakPolarHBondContact CA-O 3.18Å; R100-P266 WeakPolarHBondContact CB-O 3.42Å; R100-F267 HydrophobicContact CB-CD1 3.77Å; R100-F267 HydrophobicContact CB-CE1 4.18Å; R100-F267 HydrophobicContact CB-CG 4.49Å
101	C	93.9	Very high	77.7	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.034	28%	0.278	C	S	.	.			trans	-69.7	145.6	165.8	170.1	0	0	0	0	111.1	Y50 V103 H246 E247 H250 H256 P266	Y50-C101 WeakPolarHBondContact CE1-O 3.31Å; C101-V103 VanDerWaalsContact C-N 3.35Å; C101-V103 VanDerWaalsContact SG-CB 3.58Å; C101-V103 VanDerWaalsContact SG-CG2 3.57Å; C101-V103 PolarHBondContact SG-N 3.44Å; C101-H246 WeakPolarHBondContact CB-NE2 3.36Å; C101-H246 PolarHBondContact SG-NE2 2.82Å; C101-E247 PolarHBondContact SG-OE1 2.84Å; C101-H250 PolarHBondContact SG-NE2 2.94Å; C101-H250 VanDerWaalsContact SG-NE2 3.43Å; C101-H256 WeakPolarHBondContact CB-NE2 3.29Å; C101-H256 PolarHBondContact SG-NE2 3.33Å; C101-H256 VanDerWaalsContact SG-NE2 3.4Å; C101-P266 PolarHBondContact N-O 2.9Å
102	G	90	Very high	75.3	Confident	12 Å²	12	55 Å²	55	12%	0.124	30%	0.296	C	S	.	.	S	Bend	trans	-77.6	-13.7	179.1	0	0	0	0	0	114.7	A207	G102-A207 PolarHBondContact N-O 2.84Å
103	V	89.5	Confident	73	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.067	33%	0.33	C	S	.	.	S	Bend	trans	-68.5	139	179.7	178.8	0	0	0	0	110.8	C101 H208 F211 H256	C101-V103 VanDerWaalsContact C-N 3.35Å; C101-V103 VanDerWaalsContact SG-CB 3.58Å; C101-V103 VanDerWaalsContact SG-CG2 3.57Å; C101-V103 PolarHBondContact SG-N 3.44Å; V103-H208 HydrophobicContact CG2-CB 4.14Å; V103-F211 HydrophobicContact CG1-CE2 4.42Å; V103-F211 HydrophobicContact CG1-CZ 3.98Å; V103-H256 PolarHBondContact O-CE1 2.98Å; V103-H256 PolarHBondContact O-ND1 2.94Å
104	P	86.2	Confident	70.3	Confident	55 Å²	55	69 Å²	69	36%	0.357	36%	0.358	S	S	.	.			trans	-63.9	141.4	176.4	-23.1	33.7	0	0	0	113.4	Q106	P104-Q106 VanDerWaalsContact C-N 3.3Å; P104-Q106 PolarHBondContact O-N 3.37Å
105	D	88.5	Confident	68	Low	17 Å²	17	69.5 Å²	69.5	9%	0.091	36%	0.36	C	S	.	.	S	Bend	trans	-74.6	-24.5	178.7	-59	-44.1	0	0	0	112.8	Y50 Y52 F79 Y80 R100 H256 P266	Y50-D105 PolarHBondContact O-N 3.36Å; Y52-D105 HydrophobicContact CE2-CB 4.22Å; Y52-D105 WeakPolarHBondContact CE2-OD2 3.45Å; Y52-D105 PolarHBondContact OH-OD2 2.87Å; F79-D105 HydrophobicContact CE1-CB 4.39Å; F79-D105 HydrophobicContact CE2-CB 4.48Å; F79-D105 HydrophobicContact CZ-CB 4.29Å; Y80-D105 PolarHBondContact OH-OD2 2.96Å; R100-D105 IonicContact CZ-OD2 3.9Å; R100-D105 IonicContact NH1-OD2 2.9Å; R100-D105 PolarHBondContact NH1-OD2 3.23Å; R100-D105 IonicContact NH2-OD1 3.26Å; R100-D105 PolarHBondContact NH2-OD1 3.25Å; R100-D105 IonicContact NH2-OD2 3.94Å; R100-D105 PolarHBondContact NH2-OD2 3.02Å; D105-H256 IonicContact OD1-CE1 3.74Å; D105-H256 PolarHBondContact OD1-CE1 3.45Å; D105-H256 IonicContact OD1-CG 3.3Å; D105-H256 IonicContact OD1-ND1 3.07Å; D105-H256 PolarHBondContact OD1-ND1 3.4Å; D105-P266 WeakPolarHBondContact OD1-CB 3.33Å; D105-P266 WeakPolarHBondContact OD1-CG 3.41Å
106	Q	70.3	Confident	65.4	Low	60 Å²	60	79.8 Å²	79.8	28%	0.28	40%	0.398	S	S	.	.	S	Bend	trans	-122	107.6	177.5	-58.2	-170.7	37.8	0	0	109.7	P104	P104-Q106 VanDerWaalsContact C-N 3.3Å; P104-Q106 PolarHBondContact O-N 3.37Å
107	T	59.4	Low	63.1	Low	48 Å²	48	90.3 Å²	90.3	29%	0.294	44%	0.438	S	S	.	.			trans	-70.5	135.5	169.9	43.4	0	0	0	0	109.9	G109 S110 F211 E255	T107-G109 PolarHBondContact O-N 3.25Å; T107-S110 PolarHBondContact O-N 3.46Å; T107-F211 HydrophobicContact CG2-CE2 4.32Å; T107-E255 PolarHBondContact OG1-OE1 3.48Å
108	R	47.2	Very low	61.1	Low	220 Å²	220	91.4 Å²	91.4	83%	0.83	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	100.5	-178	-78.2	-174.8	177.3	-167.4	5.1	110.3
109	G	40.8	Very low	59.3	Low	69 Å²	69	97.8 Å²	97.8	71%	0.711	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	157.1	-21	-175.1	0	0	0	0	0	113.1	T107 S111	T107-G109 PolarHBondContact O-N 3.25Å; G109-S111 PolarHBondContact O-N 3.45Å
110	S	40.6	Very low	57.5	Low	48 Å²	48	99.3 Å²	99.3	34%	0.336	47%	0.468	S	S	.	.			trans	-84.5	21.4	176.2	-72.1	0	0	0	0	114.4	T107 K112 I115	T107-S110 PolarHBondContact O-N 3.46Å; S110-K112 PolarHBondContact O-N 2.86Å; S110-I115 VanDerWaalsContact CB-CD1 3.45Å; S110-I115 WeakPolarHBondContact O-CD1 3.39Å
111	S	34.5	Very low	55.7	Low	105 Å²	105	100.4 Å²	100.4	73%	0.734	48%	0.477	S	S	*	.			trans	-67.9	38.3	-177.7	-35.7	0	0	0	0	115.1	G109	G109-S111 PolarHBondContact O-N 3.45Å
112	K	37.6	Very low	53.9	Low	167 Å²	167	102.5 Å²	102.5	73%	0.726	49%	0.488	S	S	*	.			trans	-133.1	113.9	162.6	-69.7	-172.7	179.6	178	0	107.2	S110 H114 I115	S110-K112 PolarHBondContact O-N 2.86Å; K112-H114 PolarHBondContact O-N 3.07Å; K112-I115 WeakPolarHBondContact O-CG1 3.42Å
113	F	40.5	Very low	52.4	Low	162 Å²	162	103.6 Å²	103.6	71%	0.711	49%	0.492	S	S	*	.	S	Bend	trans	-60.3	28.7	173.3	-76.5	-92.7	0	0	0	114.3	A75	A75-F113 HydrophobicContact CB-CE1 4.19Å
114	H	34	Very low	51.4	Low	180 Å²	180	106.5 Å²	106.5	83%	0.833	53%	0.525	S	S	*	.			trans	-131.6	33.1	-178.6	-81.8	-65.6	0	0	0	112.7	K112 R116	K112-H114 PolarHBondContact O-N 3.07Å; H114-R116 PolarHBondContact O-N 2.89Å; H114-R116 VanDerWaalsContact O-N 3.14Å
115	I	39.3	Very low	50.9	Low	87 Å²	87	108.3 Å²	108.3	45%	0.446	53%	0.528	S	S	.	.			trans	-83.1	100.7	179.7	-63.5	164.2	0	0	0	109.4	S110 K112 R117 K118	S110-I115 VanDerWaalsContact CB-CD1 3.45Å; S110-I115 WeakPolarHBondContact O-CD1 3.39Å; K112-I115 WeakPolarHBondContact O-CG1 3.42Å; I115-R117 PolarHBondContact O-N 3.24Å; I115-K118 HydrophobicContact CG2-CG 4.48Å
116	R	32.7	Very low	51	Low	230 Å²	230	112.2 Å²	112.2	87%	0.868	54%	0.544	S	S	*	.			trans	-31.4	120.2	158.4	-175.9	-176.7	-170.1	178.7	4.3	109.4	H114 K118	H114-R116 PolarHBondContact O-N 2.89Å; H114-R116 VanDerWaalsContact O-N 3.14Å; R116-K118 PolarHBondContact O-N 3.33Å
117	R	42.2	Very low	52	Low	225 Å²	225	110.6 Å²	110.6	85%	0.849	54%	0.536	S	S	*	.			trans	-37.6	98.8	176.2	-83.4	-178.9	169.2	167.3	-2.9	109.8	I115	I115-R117 PolarHBondContact O-N 3.24Å
118	K	46.2	Very low	53.6	Low	137 Å²	137	116 Å²	116	60%	0.596	56%	0.558	S	S	*	*			trans	-71.8	133.5	167.6	-73.9	-174.7	179.7	175.9	0	105.5	I115 R116 Y120	I115-K118 HydrophobicContact CG2-CG 4.48Å; R116-K118 PolarHBondContact O-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.24Å
119	R	47.7	Very low	55.8	Low	188 Å²	188	109.3 Å²	109.3	71%	0.709	54%	0.536	S	S	*	.	S	Bend	trans	-70.3	-12.5	-177.5	-102.9	-174.5	-74.1	163.1	-5.3	113.3
120	Y	52.9	Low	58.4	Low	58 Å²	58	111 Å²	111	23%	0.227	52%	0.523	C	S	.	.	S	Bend	trans	-163	149.5	177.1	42.9	-98.8	0	0	0	106.6	K118 L122 Q284 K288	K118-Y120 PolarHBondContact O-N 3.24Å; Y120-L122 HydrophobicContact CD2-CD1 3.92Å; Y120-L122 HydrophobicContact CD2-CD2 4.01Å; Y120-L122 HydrophobicContact CD2-CG 3.71Å; Y120-L122 HydrophobicContact CE2-CD1 3.65Å; Y120-L122 HydrophobicContact CE2-CG 3.99Å; Y120-Q284 HydrophobicContact CD1-CB 4.45Å; Y120-K288 HydrophobicContact CE2-CB 3.99Å; Y120-K288 HydrophobicContact CE2-CD 4.47Å; Y120-K288 HydrophobicContact CE2-CG 3.62Å; Y120-K288 VanDerWaalsContact OH-CD 3.25Å; Y120-K288 WeakPolarHBondContact OH-CD 3.4Å; Y120-K288 WeakPolarHBondContact OH-CE 3.21Å; Y120-K288 WeakPolarHBondContact OH-CG 3.26Å
121	A	55	Low	61	Low	24 Å²	24	112.7 Å²	112.7	20%	0.198	53%	0.526	C	S	.	.			trans	-100.6	125.2	-177	0	0	0	0	0	109.4	E255 H256	A121-E255 HydrophobicContact CB-CB 3.45Å; A121-E255 VanDerWaalsContact CB-CB 3.45Å; A121-E255 HydrophobicContact CB-CG 4.45Å; A121-E255 PolarHBondContact O-N 3.19Å; A121-H256 VanDerWaalsContact CB-O 3.26Å; A121-H256 WeakPolarHBondContact CB-O 3.5Å
122	L	56.9	Low	64	Low	50 Å²	50	107.7 Å²	107.7	26%	0.262	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-128	130.8	-176.8	-58.5	-180	0	0	0	108	Y120 G124 L254 E255 K288 I289	Y120-L122 HydrophobicContact CD2-CD1 3.92Å; Y120-L122 HydrophobicContact CD2-CD2 4.01Å; Y120-L122 HydrophobicContact CD2-CG 3.71Å; Y120-L122 HydrophobicContact CE2-CD1 3.65Å; Y120-L122 HydrophobicContact CE2-CG 3.99Å; L122-G124 PolarHBondContact O-N 3.1Å; L122-L254 HydrophobicContact CD2-CD2 4.03Å; L122-E255 PolarHBondContact N-OE2 2.86Å; L122-K288 HydrophobicContact CD1-CB 4.41Å; L122-K288 HydrophobicContact CD1-CG 3.87Å; L122-I289 HydrophobicContact CD1-CG1 4.47Å; L122-I289 HydrophobicContact CD2-CD1 3.72Å; L122-I289 HydrophobicContact CD2-CG1 3.6Å
123	T	58.4	Low	66.8	Low	35 Å²	35	100.5 Å²	100.5	22%	0.215	46%	0.461	C	S	.	.			trans	-68	-25.6	174.7	55.5	0	0	0	0	113.1	Q125 F211 G253 E255	T123-Q125 VanDerWaalsContact C-N 3.27Å; T123-Q125 WeakPolarHBondContact OG1-CB 3.5Å; T123-Q125 PolarHBondContact OG1-N 2.95Å; T123-F211 HydrophobicContact CG2-CB 4.48Å; T123-F211 HydrophobicContact CG2-CD1 3.33Å; T123-F211 HydrophobicContact CG2-CD2 3.76Å; T123-F211 HydrophobicContact CG2-CE1 3.25Å; T123-F211 HydrophobicContact CG2-CE2 3.68Å; T123-F211 HydrophobicContact CG2-CG 3.6Å; T123-F211 HydrophobicContact CG2-CZ 3.43Å; T123-F211 VanDerWaalsContact CG2-CZ 3.43Å; T123-G253 PolarHBondContact N-O 3.31Å; T123-G253 PolarHBondContact OG1-O 3.09Å; T123-E255 HydrophobicContact CG2-CG 3.33Å
124	G	69	Low	69.5	Low	72 Å²	72	92.9 Å²	92.9	74%	0.742	43%	0.428	S	S	*	.	S	Bend	trans	84.4	-4.7	-165.8	0	0	0	0	0	113.8	L122	L122-G124 PolarHBondContact O-N 3.1Å
125	Q	74.3	Confident	72.4	Confident	93 Å²	93	84.3 Å²	84.3	44%	0.435	39%	0.388	S	S	.	.			trans	-89.1	138.7	173.5	-59.2	178.7	15.4	0	0	109.8	T123 P212	T123-Q125 VanDerWaalsContact C-N 3.27Å; T123-Q125 WeakPolarHBondContact OG1-CB 3.5Å; T123-Q125 PolarHBondContact OG1-N 2.95Å; Q125-P212 PolarHBondContact OE1-O 3.17Å
126	K	90.6	Very high	75.1	Confident	99 Å²	99	80.2 Å²	80.2	43%	0.43	37%	0.367	S	S	.	.			trans	-153	153.7	177.7	71.2	171.4	-168.7	170.3	0	110.7	Q128 I289 Y290	K126-Q128 PolarHBondContact O-NE2 2.77Å; K126-Q128 VanDerWaalsContact O-NE2 3.14Å; K126-I289 HydrophobicContact CB-CG2 3.57Å; K126-I289 HydrophobicContact CD-CG2 4.22Å; K126-Y290 HydrophobicContact CB-CE1 4.19Å
127	W	92.8	Very high	77.9	Confident	25 Å²	25	74.4 Å²	74.4	10%	0.095	35%	0.348	C	S	.	.			trans	-63.8	138.7	168.3	-64	109.7	0	0	0	110.9	H129 I132 D183 I184 P212 G217 A251 Y290	W127-H129 AromaticContact CE3-CE1 3.66Å; W127-I132 HydrophobicContact CB-CD1 4.21Å; W127-I132 HydrophobicContact CB-CG1 4.45Å; W127-I132 VanDerWaalsContact CD1-CD1 3.43Å; W127-I132 HydrophobicContact CG-CD1 3.85Å; W127-I132 HydrophobicContact CG-CG1 4.22Å; W127-D183 HydrophobicContact CH2-CB 3.81Å; W127-D183 VanDerWaalsContact CH2-O 3.25Å; W127-D183 WeakPolarHBondContact CH2-O 3.3Å; W127-D183 HydrophobicContact CZ2-CB 4.12Å; W127-D183 WeakPolarHBondContact CZ2-O 3.21Å; W127-D183 HydrophobicContact CZ3-CB 4.04Å; W127-I184 HydrophobicContact CZ2-CG1 4.2Å; W127-P212 HydrophobicContact CD2-CB 3.9Å; W127-P212 HydrophobicContact CE3-CB 4.46Å; W127-P212 HydrophobicContact CG-CB 4.13Å; W127-P212 HydrophobicContact CZ2-CB 4.19Å; W127-G217 VanDerWaalsContact CH2-O 3.3Å; W127-G217 WeakPolarHBondContact CH2-O 3.18Å; W127-A251 PolarHBondContact NE1-O 3.17Å; W127-Y290 HydrophobicContact CB-CE1 4.37Å; W127-Y290 PolarHBondContact N-OH 2.81Å
128	Q	92.5	Very high	80.3	Confident	163 Å²	163	66.7 Å²	66.7	76%	0.762	32%	0.323	S	S	*	.	S	Bend	trans	-86.7	-17.2	-179.7	-59.4	-55	-46.4	0	0	112.4	K126	K126-Q128 PolarHBondContact O-NE2 2.77Å; K126-Q128 VanDerWaalsContact O-NE2 3.14Å
129	H	93.3	Very high	82.6	Confident	79 Å²	79	61.9 Å²	61.9	37%	0.366	31%	0.306	S	S	.	.	S	Bend	trans	-112.9	154.3	176.8	55.6	-60.3	0	0	0	110.5	W127 H131 D183	W127-H129 AromaticContact CE3-CE1 3.66Å; H129-H131 PolarHBondContact CD2-O 3.07Å; H129-D183 IonicContact CE1-OD1 3.29Å; H129-D183 PolarHBondContact CE1-OD1 3.34Å; H129-D183 IonicContact CE1-OD2 2.7Å; H129-D183 IonicContact NE2-OD1 2.8Å; H129-D183 PolarHBondContact NE2-OD1 2.9Å; H129-D183 IonicContact NE2-OD2 2.66Å; H129-D183 PolarHBondContact NE2-OD2 3.35Å
130	K	94.7	Very high	84.7	Confident	103 Å²	103	53 Å²	53	45%	0.448	27%	0.272	S	S	.	.	S	Bend	trans	-88.5	-16.8	-179.8	-71.3	-178.5	170.2	-173.9	0	113.5	P164 L165 T166 D294	K130-P164 HydrophobicContact CD-CB 4.11Å; K130-P164 HydrophobicContact CD-CG 4.44Å; K130-L165 HydrophobicContact CB-CD2 4.4Å; K130-L165 CarbonylContact O-C 3.6Å; K130-L165 VanDerWaalsContact O-CA 3.31Å; K130-L165 WeakPolarHBondContact O-CA 3.21Å; K130-T166 PolarHBondContact O-N 3.14Å; K130-T166 PolarHBondContact O-OG1 3.22Å; K130-D294 IonicContact NZ-OD1 3.21Å; K130-D294 IonicContact NZ-OD2 2.6Å; K130-D294 PolarHBondContact NZ-OD2 3.04Å
131	H	96.7	Very high	86.5	Confident	84 Å²	84	55.9 Å²	55.9	39%	0.389	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	95	-175.2	178.7	73.2	0	0	0	109.8	H129 T166 E168	H129-H131 PolarHBondContact CD2-O 3.07Å; H131-T166 WeakPolarHBondContact CA-OG1 3.17Å; H131-T166 PolarHBondContact ND1-OG1 3.3Å; H131-E168 IonicContact CE1-OE2 3.91Å; H131-E168 PolarHBondContact CE1-OE2 2.96Å; H131-E168 VanDerWaalsContact CE1-OE2 3.3Å; H131-E168 IonicContact NE2-OE2 3.26Å; H131-E168 PolarHBondContact NE2-OE2 3.37Å
132	I	96.8	Very high	88.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.3	-173	-60.4	170.9	0	0	0	108.2	W127 L165 T166 F167 E168 D183 I184 L252	W127-I132 HydrophobicContact CB-CD1 4.21Å; W127-I132 HydrophobicContact CB-CG1 4.45Å; W127-I132 VanDerWaalsContact CD1-CD1 3.43Å; W127-I132 HydrophobicContact CG-CD1 3.85Å; W127-I132 HydrophobicContact CG-CG1 4.22Å; I132-L165 HydrophobicContact CD1-CD1 3.87Å; I132-L165 HydrophobicContact CD1-CD2 3.99Å; I132-L165 HydrophobicContact CD1-CG 4.35Å; I132-T166 PolarHBondContact N-O 3.5Å; I132-F167 HydrophobicContact CB-CD1 3.77Å; I132-F167 HydrophobicContact CB-CE1 3.91Å; I132-F167 HydrophobicContact CD1-CD1 4.45Å; I132-F167 HydrophobicContact CD1-CE1 3.71Å; I132-F167 HydrophobicContact CD1-CZ 4.34Å; I132-F167 HydrophobicContact CG1-CE1 4.37Å; I132-F167 HydrophobicContact CG2-CD1 3.99Å; I132-F167 HydrophobicContact CG2-CE1 4.07Å; I132-F167 VanDerWaalsContact O-CA 3.27Å; I132-F167 WeakPolarHBondContact O-CA 3.25Å; I132-E168 PolarHBondContact O-N 3.49Å; I132-D183 WeakPolarHBondContact CA-OD2 3.48Å; I132-D183 HydrophobicContact CG2-CB 3.79Å; I132-I184 HydrophobicContact CG2-CD1 3.8Å; I132-I184 HydrophobicContact CG2-CG1 4.22Å; I132-L252 HydrophobicContact CD1-CD2 3.68Å
133	T	96.6	Very high	89.9	Confident	17 Å²	17	58.6 Å²	58.6	10%	0.104	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.5	176.5	54	0	0	0	0	110.1	E168 V170 V182 D183 I184	T133-E168 WeakPolarHBondContact CA-O 3.44Å; T133-E168 HydrophobicContact CG2-CB 4.48Å; T133-V170 HydrophobicContact CG2-CG2 4.34Å; T133-V182 WeakPolarHBondContact OG1-CA 3.2Å; T133-D183 PolarHBondContact N-OD2 3.21Å; T133-D183 WeakPolarHBondContact O-CB 3.22Å; T133-D183 PolarHBondContact O-N 3.48Å; T133-D183 PolarHBondContact OG1-N 2.99Å; T133-D183 PolarHBondContact OG1-OD2 2.89Å; T133-I184 PolarHBondContact O-N 3.29Å; T133-I184 VanDerWaalsContact O-N 3.08Å
134	Y	97.3	Very high	91.5	Very high	1 Å²	1	58 Å²	58	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.9	174.9	76.1	-86.7	0	0	0	111.8	I136 I152 F156 F167 E168 E169 V170 I184 I186	Y134-I136 HydrophobicContact CD2-CG1 4.3Å; Y134-I136 HydrophobicContact CE2-CD1 4.16Å; Y134-I136 HydrophobicContact CE2-CG1 4.12Å; Y134-I152 HydrophobicContact CE2-CG2 4.18Å; Y134-F156 AromaticContact CD1-CD2 3.98Å; Y134-F156 HydrophobicContact CD1-CD2 3.98Å; Y134-F156 HydrophobicContact CD1-CE1 4.22Å; Y134-F156 AromaticContact CD1-CE2 3.58Å; Y134-F156 HydrophobicContact CD1-CE2 3.58Å; Y134-F156 HydrophobicContact CD1-CG 4.45Å; Y134-F156 AromaticContact CD1-CZ 3.7Å; Y134-F156 HydrophobicContact CD1-CZ 3.7Å; Y134-F156 HydrophobicContact CD2-CD2 4.3Å; Y134-F156 AromaticContact CD2-CE2 3.44Å; Y134-F156 HydrophobicContact CD2-CE2 3.44Å; Y134-F156 VanDerWaalsContact CD2-CE2 3.44Å; Y134-F156 AromaticContact CD2-CZ 3.92Å; Y134-F156 HydrophobicContact CD2-CZ 3.92Å; Y134-F156 AromaticContact CE1-CD2 3.65Å; Y134-F156 HydrophobicContact CE1-CD2 3.65Å; Y134-F156 AromaticContact CE1-CE2 3.69Å; Y134-F156 HydrophobicContact CE1-CE2 3.69Å; Y134-F156 HydrophobicContact CE1-CG 4.21Å; Y134-F156 HydrophobicContact CE1-CZ 4.25Å; Y134-F156 HydrophobicContact CE2-CD2 4.02Å; Y134-F156 AromaticContact CE2-CE2 3.58Å; Y134-F156 HydrophobicContact CE2-CE2 3.58Å; Y134-F156 HydrophobicContact CE2-CZ 4.46Å; Y134-F156 HydrophobicContact CG-CD2 4.26Å; Y134-F156 HydrophobicContact CG-CE1 4.37Å; Y134-F156 AromaticContact CG-CE2 3.43Å; Y134-F156 HydrophobicContact CG-CE2 3.43Å; Y134-F156 VanDerWaalsContact CG-CE2 3.43Å; Y134-F156 AromaticContact CG-CZ 3.49Å; Y134-F156 HydrophobicContact CG-CZ 3.49Å; Y134-F156 VanDerWaalsContact CG-CZ 3.49Å; Y134-F156 AromaticContact CZ-CD2 3.67Å; Y134-F156 AromaticContact CZ-CE2 3.68Å; Y134-F167 HydrophobicContact CD1-CB 4.29Å; Y134-F167 HydrophobicContact CE1-CB 4.24Å; Y134-E168 WeakPolarHBondContact CD1-O 3.38Å; Y134-E168 PolarHBondContact N-O 3.2Å; Y134-E169 HydrophobicContact CD2-CG 4.22Å; Y134-E169 HydrophobicContact CE1-CB 3.88Å; Y134-E169 HydrophobicContact CE1-CG 4.5Å; Y134-E169 HydrophobicContact CE2-CB 3.87Å; Y134-E169 HydrophobicContact CE2-CG 3.58Å; Y134-E169 WeakPolarHBondContact CE2-OE2 3.22Å; Y134-E169 VanDerWaalsContact CZ-CB 3.49Å; Y134-E169 CarbonylContact O-C 3.52Å; Y134-E169 WeakPolarHBondContact O-CA 3.46Å; Y134-E169 WeakPolarHBondContact OH-CB 3.27Å; Y134-E169 PolarHBondContact OH-OE2 3.39Å; Y134-V170 PolarHBondContact O-N 2.86Å; Y134-I184 CarbonylContact C-O 3.6Å; Y134-I184 WeakPolarHBondContact CA-O 3.28Å; Y134-I184 WeakPolarHBondContact CB-O 3.44Å; Y134-I186 HydrophobicContact CD2-CD1 4.19Å
135	S	95.2	Very high	92.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.7	173.3	-163.3	0	0	0	0	111.5	V170 Y172 I184 I186	S135-V170 VanDerWaalsContact CB-O 3.3Å; S135-V170 WeakPolarHBondContact CB-O 3.17Å; S135-V170 PolarHBondContact OG-O 3.15Å; S135-Y172 VanDerWaalsContact OG-CA 3.3Å; S135-Y172 WeakPolarHBondContact OG-CA 3.48Å; S135-Y172 PolarHBondContact OG-N 2.98Å; S135-I184 PolarHBondContact N-O 2.91Å; S135-I186 PolarHBondContact O-N 2.96Å
136	I	96.2	Very high	93.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.8	176.1	-58.6	171.3	0	0	0	107.9	Y134 N138 V139 R149 I152 I186	Y134-I136 HydrophobicContact CD2-CG1 4.3Å; Y134-I136 HydrophobicContact CE2-CD1 4.16Å; Y134-I136 HydrophobicContact CE2-CG1 4.12Å; I136-N138 WeakPolarHBondContact CG2-O 3.42Å; I136-V139 HydrophobicContact CG2-CG1 3.9Å; I136-R149 HydrophobicContact CD1-CB 4.42Å; I136-R149 HydrophobicContact CD1-CG 3.98Å; I136-I152 HydrophobicContact CD1-CB 4.15Å; I136-I152 HydrophobicContact CD1-CG1 4.43Å; I136-I152 HydrophobicContact CD1-CG2 3.94Å; I136-I152 HydrophobicContact CG1-CG2 4.4Å; I136-I186 HydrophobicContact CG1-CB 4.31Å; I136-I186 HydrophobicContact CG1-CD1 4.42Å
137	K	90.8	Very high	93.9	Very high	108 Å²	108	57.2 Å²	57.2	47%	0.47	30%	0.296	S	S	.	.			trans	-68.1	-45.8	-178.7	178.9	174.2	-175.8	-179.1	0	112.1	Y172 T185 I186 I187	K137-Y172 HydrophobicContact CB-CD2 3.9Å; K137-Y172 HydrophobicContact CB-CE2 3.75Å; K137-Y172 HydrophobicContact CB-CG 4.38Å; K137-Y172 HydrophobicContact CD-CE2 4.17Å; K137-Y172 WeakPolarHBondContact CE-OH 3.28Å; K137-Y172 HydrophobicContact CG-CD1 4.33Å; K137-Y172 HydrophobicContact CG-CD2 4.24Å; K137-Y172 HydrophobicContact CG-CE1 3.86Å; K137-Y172 HydrophobicContact CG-CE2 3.77Å; K137-T185 HydrophobicContact CB-CG2 4.45Å; K137-I186 PolarHBondContact N-O 3.19Å; K137-I187 HydrophobicContact CB-CG2 3.81Å; K137-I187 HydrophobicContact CD-CB 4.49Å; K137-I187 HydrophobicContact CD-CG2 3.7Å; K137-I187 HydrophobicContact CG-CG2 4.36Å
138	N	92.4	Very high	94.1	Very high	63 Å²	63	56 Å²	56	34%	0.337	29%	0.292	S	S	.	.			trans	-150.7	171.1	179	64.4	-31.2	0	0	0	110	I136 I187 F188	I136-N138 WeakPolarHBondContact CG2-O 3.42Å; N138-I187 WeakPolarHBondContact OD1-CA 3.36Å; N138-F188 PolarHBondContact ND2-O 2.97Å; N138-F188 WeakPolarHBondContact O-CD2 3.32Å; N138-F188 PolarHBondContact OD1-N 3.46Å; N138-F188 PolarHBondContact OD1-O 3.38Å
139	V	94.1	Very high	94.2	Very high	37 Å²	37	52.1 Å²	52.1	22%	0.224	27%	0.27	C	S	.	.			trans	-130.1	158.1	-174.5	-64.4	0	0	0	0	110.5	I136 D145 T148 R149	I136-V139 HydrophobicContact CG2-CG1 3.9Å; V139-D145 HydrophobicContact CG2-CB 3.93Å; V139-T148 HydrophobicContact CB-CG2 3.8Å; V139-T148 HydrophobicContact CG1-CG2 3.74Å; V139-R149 HydrophobicContact CG1-CG 4.48Å
140	T	92.1	Very high	94.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.			trans	-79	126.2	175.6	175.5	0	0	0	0	111.3	K142 V143 G144 T148 F188 W228 L240	T140-K142 PolarHBondContact O-N 2.95Å; T140-K142 PolarHBondContact OG1-N 2.7Å; T140-V143 HydrophobicContact CG2-CB 4.04Å; T140-V143 HydrophobicContact CG2-CG2 4.13Å; T140-V143 PolarHBondContact O-N 2.79Å; T140-G144 PolarHBondContact O-N 2.85Å; T140-G144 VanDerWaalsContact O-N 3.07Å; T140-T148 HydrophobicContact CG2-CG2 4.5Å; T140-T148 WeakPolarHBondContact CG2-OG1 3.38Å; T140-F188 HydrophobicContact CG2-CD1 4.14Å; T140-F188 HydrophobicContact CG2-CE1 3.66Å; T140-F188 HydrophobicContact CG2-CZ 4.12Å; T140-W228 HydrophobicContact CG2-CB 4.18Å; T140-W228 HydrophobicContact CG2-CG 4.23Å; T140-L240 HydrophobicContact CG2-CD2 4.09Å
141	P	91.1	Very high	94.5	Very high	119 Å²	119	49.9 Å²	49.9	77%	0.773	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.2	176.9	28.2	-34.6	0	0	0	112.8	V143	P141-V143 VanDerWaalsContact C-N 3.3Å; P141-V143 PolarHBondContact O-N 2.81Å
142	K	91.4	Very high	94.5	Very high	102 Å²	102	45.9 Å²	45.9	44%	0.443	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.5	-178.3	-67.8	167.4	173	159.1	0	112.6	T140 S224 D225 E226 W228	T140-K142 PolarHBondContact O-N 2.95Å; T140-K142 PolarHBondContact OG1-N 2.7Å; K142-S224 PolarHBondContact NZ-O 3.08Å; K142-D225 PolarHBondContact NZ-O 3.08Å; K142-E226 WeakPolarHBondContact CD-O 3.14Å; K142-E226 WeakPolarHBondContact CE-O 2.98Å; K142-E226 PolarHBondContact NZ-O 3.05Å; K142-W228 HydrophobicContact CB-CB 4.29Å
143	V	91.2	Very high	94.6	Very high	29 Å²	29	49 Å²	49	18%	0.176	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-31.5	177.3	175.7	0	0	0	0	111.3	T140 P141 E147 W228 L230	T140-V143 HydrophobicContact CG2-CB 4.04Å; T140-V143 HydrophobicContact CG2-CG2 4.13Å; T140-V143 PolarHBondContact O-N 2.79Å; P141-V143 VanDerWaalsContact C-N 3.3Å; P141-V143 PolarHBondContact O-N 2.81Å; V143-E147 HydrophobicContact CG1-CB 3.66Å; V143-W228 HydrophobicContact CG2-CB 3.85Å; V143-L230 HydrophobicContact CG1-CD1 3.38Å; V143-L230 HydrophobicContact CG1-CG 3.69Å; V143-L230 HydrophobicContact CG2-CG 4.43Å
144	G	92.5	Very high	94.6	Very high	24 Å²	24	52.1 Å²	52.1	25%	0.247	26%	0.263	C	S	.	.			trans	90.3	149.4	-177.6	0	0	0	0	0	112.8	T140 E147 T148	T140-G144 PolarHBondContact O-N 2.85Å; T140-G144 VanDerWaalsContact O-N 3.07Å; G144-E147 PolarHBondContact O-N 2.9Å; G144-T148 WeakPolarHBondContact O-CB 3.29Å; G144-T148 PolarHBondContact O-N 2.82Å; G144-T148 PolarHBondContact O-OG1 3.08Å; G144-T148 VanDerWaalsContact O-OG1 3.1Å
145	D	93.9	Very high	94.6	Very high	75 Å²	75	52 Å²	52	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-49.6	-57.2	-173	-168.2	-14.1	0	0	0	114.9	V139 E147 T148 R149	V139-D145 HydrophobicContact CG2-CB 3.93Å; D145-E147 VanDerWaalsContact C-N 3.28Å; D145-E147 PolarHBondContact O-N 3.26Å; D145-T148 PolarHBondContact O-N 3.3Å; D145-R149 PolarHBondContact O-N 2.89Å; D145-R149 VanDerWaalsContact OD1-CD 3.31Å; D145-R149 WeakPolarHBondContact OD1-CD 3.48Å; D145-R149 WeakPolarHBondContact OD1-CG 3.13Å; D145-R149 IonicContact OD1-CZ 2.63Å; D145-R149 IonicContact OD1-NE 3.42Å; D145-R149 PolarHBondContact OD1-NE 3.3Å
146	P	95.6	Very high	94.8	Very high	94 Å²	94	52.1 Å²	52.1	61%	0.61	26%	0.263	S	S	*	.	H	α-helix	trans	-61.9	-38.1	-174	24.3	-34.4	0	0	0	112.5	K150	P146-K150 VanDerWaalsContact O-CB 3.23Å; P146-K150 WeakPolarHBondContact O-CB 3.44Å; P146-K150 PolarHBondContact O-N 3.03Å; P146-K150 VanDerWaalsContact O-N 3.09Å
147	E	94.8	Very high	94.8	Very high	78 Å²	78	54.4 Å²	54.4	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-78.6	-35.1	-178.8	-66.4	-55.2	148.6	0	0	111.8	V143 G144 D145 K150 A151 L230	V143-E147 HydrophobicContact CG1-CB 3.66Å; G144-E147 PolarHBondContact O-N 2.9Å; D145-E147 VanDerWaalsContact C-N 3.28Å; D145-E147 PolarHBondContact O-N 3.26Å; E147-K150 PolarHBondContact O-N 2.88Å; E147-K150 IonicContact OE1-NZ 2.8Å; E147-K150 IonicContact OE2-NZ 3.93Å; E147-K150 PolarHBondContact OE2-NZ 3.29Å; E147-A151 VanDerWaalsContact O-CB 3.3Å; E147-A151 WeakPolarHBondContact O-CB 3.48Å; E147-A151 PolarHBondContact O-N 2.95Å; E147-L230 HydrophobicContact CB-CD1 3.72Å
148	T	96	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-53.4	169.7	-66.8	0	0	0	0	111.1	V139 T140 G144 D145 K150 A151 I152 F188 L240	V139-T148 HydrophobicContact CB-CG2 3.8Å; V139-T148 HydrophobicContact CG1-CG2 3.74Å; T140-T148 HydrophobicContact CG2-CG2 4.5Å; T140-T148 WeakPolarHBondContact CG2-OG1 3.38Å; G144-T148 WeakPolarHBondContact O-CB 3.29Å; G144-T148 PolarHBondContact O-N 2.82Å; G144-T148 PolarHBondContact O-OG1 3.08Å; G144-T148 VanDerWaalsContact O-OG1 3.1Å; D145-T148 PolarHBondContact O-N 3.3Å; T148-K150 VanDerWaalsContact C-N 3.32Å; T148-K150 PolarHBondContact O-N 2.87Å; T148-A151 PolarHBondContact O-N 3.28Å; T148-I152 HydrophobicContact CG2-CG1 4.5Å; T148-I152 WeakPolarHBondContact O-CG1 3.23Å; T148-I152 PolarHBondContact O-N 3.45Å; T148-F188 HydrophobicContact CG2-CE2 3.85Å; T148-F188 HydrophobicContact CG2-CZ 3.77Å; T148-L240 HydrophobicContact CG2-CD2 4Å
149	R	96.5	Very high	95.4	Very high	80 Å²	80	47.2 Å²	47.2	30%	0.302	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-42.2	-179.9	-69.2	-171.2	-176.2	-91.4	-7.2	112.2	I136 V139 D145 I152 R153 E169	I136-R149 HydrophobicContact CD1-CB 4.42Å; I136-R149 HydrophobicContact CD1-CG 3.98Å; V139-R149 HydrophobicContact CG1-CG 4.48Å; D145-R149 PolarHBondContact O-N 2.89Å; D145-R149 VanDerWaalsContact OD1-CD 3.31Å; D145-R149 WeakPolarHBondContact OD1-CD 3.48Å; D145-R149 WeakPolarHBondContact OD1-CG 3.13Å; D145-R149 IonicContact OD1-CZ 2.63Å; D145-R149 IonicContact OD1-NE 3.42Å; D145-R149 PolarHBondContact OD1-NE 3.3Å; R149-I152 PolarHBondContact O-N 3.07Å; R149-R153 WeakPolarHBondContact O-CB 3.34Å; R149-R153 PolarHBondContact O-N 3.13Å; R149-E169 IonicContact CZ-OE1 3.81Å; R149-E169 IonicContact NH1-OE1 2.84Å; R149-E169 PolarHBondContact NH1-OE1 2.96Å
150	K	96.2	Very high	95.5	Very high	129 Å²	129	47.8 Å²	47.8	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-62.8	-42.1	176.7	-177.9	-179.7	168	-161.6	0	112.2	P146 E147 T148 R154	P146-K150 VanDerWaalsContact O-CB 3.23Å; P146-K150 WeakPolarHBondContact O-CB 3.44Å; P146-K150 PolarHBondContact O-N 3.03Å; P146-K150 VanDerWaalsContact O-N 3.09Å; E147-K150 PolarHBondContact O-N 2.88Å; E147-K150 IonicContact OE1-NZ 2.8Å; E147-K150 IonicContact OE2-NZ 3.93Å; E147-K150 PolarHBondContact OE2-NZ 3.29Å; T148-K150 VanDerWaalsContact C-N 3.32Å; T148-K150 PolarHBondContact O-N 2.87Å; K150-R154 WeakPolarHBondContact O-CB 3.3Å; K150-R154 PolarHBondContact O-N 2.83Å
151	A	96.5	Very high	95.7	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-45.5	176.3	0	0	0	0	0	111.8	E147 T148 R154 A155 L230 L240 F241	E147-A151 VanDerWaalsContact O-CB 3.3Å; E147-A151 WeakPolarHBondContact O-CB 3.48Å; E147-A151 PolarHBondContact O-N 2.95Å; T148-A151 PolarHBondContact O-N 3.28Å; A151-R154 PolarHBondContact O-N 3.2Å; A151-A155 PolarHBondContact O-N 3.31Å; A151-L230 HydrophobicContact CB-CD1 4.45Å; A151-L230 HydrophobicContact CB-CD2 3.66Å; A151-L240 HydrophobicContact CB-CD2 4.38Å; A151-F241 HydrophobicContact CB-CB 4.26Å
152	I	97.9	Very high	96	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-48.4	176.2	-65.1	-57.1	0	0	0	111.4	Y134 I136 T148 R149 R154 A155 F156 I186 F222 A244	Y134-I152 HydrophobicContact CE2-CG2 4.18Å; I136-I152 HydrophobicContact CD1-CB 4.15Å; I136-I152 HydrophobicContact CD1-CG1 4.43Å; I136-I152 HydrophobicContact CD1-CG2 3.94Å; I136-I152 HydrophobicContact CG1-CG2 4.4Å; T148-I152 HydrophobicContact CG2-CG1 4.5Å; T148-I152 WeakPolarHBondContact O-CG1 3.23Å; T148-I152 PolarHBondContact O-N 3.45Å; R149-I152 PolarHBondContact O-N 3.07Å; I152-R154 VanDerWaalsContact C-N 3.27Å; I152-R154 PolarHBondContact O-N 3.28Å; I152-A155 WeakPolarHBondContact O-CB 3.43Å; I152-A155 PolarHBondContact O-N 3.04Å; I152-F156 HydrophobicContact CG2-CD2 3.98Å; I152-F156 HydrophobicContact CG2-CE2 3.73Å; I152-F156 WeakPolarHBondContact O-CD2 3.38Å; I152-F156 PolarHBondContact O-N 3.23Å; I152-I186 HydrophobicContact CG2-CD1 3.4Å; I152-F222 HydrophobicContact CD1-CE2 4.06Å; I152-F222 HydrophobicContact CD1-CZ 3.97Å; I152-A244 HydrophobicContact CD1-CB 3.65Å
153	R	97.8	Very high	96.2	Very high	65 Å²	65	43.8 Å²	43.8	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-43.7	177.4	173.2	61	-142.8	164.3	-8.2	111.4	R149 A155 F156 D157 Q160 F167	R149-R153 WeakPolarHBondContact O-CB 3.34Å; R149-R153 PolarHBondContact O-N 3.13Å; R153-A155 VanDerWaalsContact C-N 3.3Å; R153-A155 PolarHBondContact O-N 3.36Å; R153-F156 WeakPolarHBondContact O-CB 3.41Å; R153-F156 PolarHBondContact O-N 3.13Å; R153-D157 IonicContact CZ-OD1 3.03Å; R153-D157 IonicContact NE-OD1 3.86Å; R153-D157 PolarHBondContact NE-OD1 3.02Å; R153-D157 IonicContact NE-OD2 3.57Å; R153-D157 PolarHBondContact NE-OD2 3.26Å; R153-D157 IonicContact NH2-OD1 3.87Å; R153-D157 PolarHBondContact NH2-OD1 2.85Å; R153-D157 PolarHBondContact O-N 3.34Å; R153-Q160 VanDerWaalsContact NH2-OE1 3.12Å; R153-F167 PolarHBondContact NH1-O 2.9Å; R153-F167 VanDerWaalsContact NH1-O 3.15Å
154	R	96.9	Very high	96.5	Very high	83 Å²	83	43.1 Å²	43.1	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-64.1	-35.6	177.4	-172.2	-173.6	153.7	-157.8	-14.5	112	K150 A151 I152 D157 V158 F241 T273	K150-R154 WeakPolarHBondContact O-CB 3.3Å; K150-R154 PolarHBondContact O-N 2.83Å; A151-R154 PolarHBondContact O-N 3.2Å; I152-R154 VanDerWaalsContact C-N 3.27Å; I152-R154 PolarHBondContact O-N 3.28Å; R154-D157 WeakPolarHBondContact O-CB 3.36Å; R154-D157 PolarHBondContact O-N 3.22Å; R154-V158 WeakPolarHBondContact O-CG2 3.5Å; R154-V158 PolarHBondContact O-N 2.89Å; R154-V158 VanDerWaalsContact O-N 3.13Å; R154-F241 HydrophobicContact CB-CD2 4.16Å; R154-F241 HydrophobicContact CB-CE2 4.2Å; R154-F241 HydrophobicContact CG-CD2 4Å; R154-F241 HydrophobicContact CG-CE2 3.67Å; R154-F241 VanDerWaalsContact NH2-CZ 3.26Å; R154-T273 PolarHBondContact NH2-O 3.31Å
155	A	98.1	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-39.5	173.6	0	0	0	0	0	111.9	A151 I152 R153 V158 F241 A244 V245 L248	A151-A155 PolarHBondContact O-N 3.31Å; I152-A155 WeakPolarHBondContact O-CB 3.43Å; I152-A155 PolarHBondContact O-N 3.04Å; R153-A155 VanDerWaalsContact C-N 3.3Å; R153-A155 PolarHBondContact O-N 3.36Å; A155-V158 WeakPolarHBondContact O-CB 3.48Å; A155-V158 PolarHBondContact O-N 3.01Å; A155-F241 HydrophobicContact CB-CD2 4.29Å; A155-F241 HydrophobicContact CB-CE2 4.46Å; A155-A244 HydrophobicContact CB-CB 3.72Å; A155-V245 HydrophobicContact CB-CG2 3.72Å; A155-L248 HydrophobicContact CB-CD1 3.76Å
156	F	98.2	Very high	96.9	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-42.3	169.6	-78.1	-69.5	0	0	0	112.5	Y134 I152 R153 V158 W159 Q160 F167 I184 I186 L248	Y134-F156 AromaticContact CD1-CD2 3.98Å; Y134-F156 HydrophobicContact CD1-CD2 3.98Å; Y134-F156 HydrophobicContact CD1-CE1 4.22Å; Y134-F156 AromaticContact CD1-CE2 3.58Å; Y134-F156 HydrophobicContact CD1-CE2 3.58Å; Y134-F156 HydrophobicContact CD1-CG 4.45Å; Y134-F156 AromaticContact CD1-CZ 3.7Å; Y134-F156 HydrophobicContact CD1-CZ 3.7Å; Y134-F156 HydrophobicContact CD2-CD2 4.3Å; Y134-F156 AromaticContact CD2-CE2 3.44Å; Y134-F156 HydrophobicContact CD2-CE2 3.44Å; Y134-F156 VanDerWaalsContact CD2-CE2 3.44Å; Y134-F156 AromaticContact CD2-CZ 3.92Å; Y134-F156 HydrophobicContact CD2-CZ 3.92Å; Y134-F156 AromaticContact CE1-CD2 3.65Å; Y134-F156 HydrophobicContact CE1-CD2 3.65Å; Y134-F156 AromaticContact CE1-CE2 3.69Å; Y134-F156 HydrophobicContact CE1-CE2 3.69Å; Y134-F156 HydrophobicContact CE1-CG 4.21Å; Y134-F156 HydrophobicContact CE1-CZ 4.25Å; Y134-F156 HydrophobicContact CE2-CD2 4.02Å; Y134-F156 AromaticContact CE2-CE2 3.58Å; Y134-F156 HydrophobicContact CE2-CE2 3.58Å; Y134-F156 HydrophobicContact CE2-CZ 4.46Å; Y134-F156 HydrophobicContact CG-CD2 4.26Å; Y134-F156 HydrophobicContact CG-CE1 4.37Å; Y134-F156 AromaticContact CG-CE2 3.43Å; Y134-F156 HydrophobicContact CG-CE2 3.43Å; Y134-F156 VanDerWaalsContact CG-CE2 3.43Å; Y134-F156 AromaticContact CG-CZ 3.49Å; Y134-F156 HydrophobicContact CG-CZ 3.49Å; Y134-F156 VanDerWaalsContact CG-CZ 3.49Å; Y134-F156 AromaticContact CZ-CD2 3.67Å; Y134-F156 AromaticContact CZ-CE2 3.68Å; I152-F156 HydrophobicContact CG2-CD2 3.98Å; I152-F156 HydrophobicContact CG2-CE2 3.73Å; I152-F156 WeakPolarHBondContact O-CD2 3.38Å; I152-F156 PolarHBondContact O-N 3.23Å; R153-F156 WeakPolarHBondContact O-CB 3.41Å; R153-F156 PolarHBondContact O-N 3.13Å; F156-V158 VanDerWaalsContact C-N 3.26Å; F156-V158 PolarHBondContact O-N 3.41Å; F156-W159 PolarHBondContact O-N 3.41Å; F156-W159 VanDerWaalsContact O-N 3.16Å; F156-Q160 WeakPolarHBondContact O-CB 3.43Å; F156-Q160 PolarHBondContact O-N 3.31Å; F156-F167 HydrophobicContact CB-CB 4.1Å; F156-F167 HydrophobicContact CB-CD2 3.96Å; F156-F167 HydrophobicContact CB-CG 4.03Å; F156-F167 HydrophobicContact CD1-CB 3.89Å; F156-F167 AromaticContact CD1-CD1 3.24Å; F156-F167 HydrophobicContact CD1-CD1 3.24Å; F156-F167 AromaticContact CD1-CD2 3.86Å; F156-F167 HydrophobicContact CD1-CD2 3.86Å; F156-F167 AromaticContact CD1-CE1 3.6Å; F156-F167 HydrophobicContact CD1-CE1 3.6Å; F156-F167 HydrophobicContact CD1-CE2 4.17Å; F156-F167 AromaticContact CD1-CG 3.38Å; F156-F167 HydrophobicContact CD1-CG 3.38Å; F156-F167 HydrophobicContact CD1-CZ 4.05Å; F156-F167 AromaticContact CE1-CD1 3.52Å; F156-F167 HydrophobicContact CE1-CD1 3.52Å; F156-F167 AromaticContact CE1-CE1 3.82Å; F156-F167 HydrophobicContact CE1-CE1 3.82Å; F156-F167 HydrophobicContact CE1-CG 4.1Å; F156-F167 HydrophobicContact CG-CB 4.1Å; F156-F167 HydrophobicContact CG-CD1 4.25Å; F156-F167 HydrophobicContact CG-CD2 4.35Å; F156-F167 AromaticContact CG-CG 3.99Å; F156-F167 HydrophobicContact CG-CG 3.99Å; F156-I184 HydrophobicContact CE1-CD1 4.14Å; F156-I184 HydrophobicContact CZ-CD1 4.47Å; F156-I184 HydrophobicContact CZ-CG2 4.45Å; F156-I186 HydrophobicContact CE2-CD1 3.82Å; F156-I186 HydrophobicContact CZ-CD1 4.11Å; F156-L248 HydrophobicContact CD1-CD1 3.83Å; F156-L248 HydrophobicContact CD1-CD2 4.36Å; F156-L248 HydrophobicContact CD2-CD1 3.96Å; F156-L248 HydrophobicContact CE1-CD1 3.89Å; F156-L248 HydrophobicContact CE1-CD2 3.59Å; F156-L248 HydrophobicContact CE1-CG 4.34Å; F156-L248 HydrophobicContact CE2-CD1 3.99Å; F156-L248 HydrophobicContact CE2-CD2 4.17Å; F156-L248 HydrophobicContact CG-CD1 3.89Å; F156-L248 HydrophobicContact CZ-CD1 3.97Å; F156-L248 HydrophobicContact CZ-CD2 3.48Å; F156-L248 VanDerWaalsContact CZ-CD2 3.48Å; F156-L248 HydrophobicContact CZ-CG 4.39Å
157	D	97.1	Very high	97	Very high	49 Å²	49	37.7 Å²	37.7	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-58.3	-37	177.8	-74.1	-41.5	0	0	0	112.5	R153 R154 W159 Q160 N161	R153-D157 IonicContact CZ-OD1 3.03Å; R153-D157 IonicContact NE-OD1 3.86Å; R153-D157 PolarHBondContact NE-OD1 3.02Å; R153-D157 IonicContact NE-OD2 3.57Å; R153-D157 PolarHBondContact NE-OD2 3.26Å; R153-D157 IonicContact NH2-OD1 3.87Å; R153-D157 PolarHBondContact NH2-OD1 2.85Å; R153-D157 PolarHBondContact O-N 3.34Å; R154-D157 WeakPolarHBondContact O-CB 3.36Å; R154-D157 PolarHBondContact O-N 3.22Å; D157-W159 VanDerWaalsContact C-N 3.33Å; D157-W159 PolarHBondContact O-N 3.47Å; D157-Q160 PolarHBondContact O-N 2.94Å; D157-N161 VanDerWaalsContact O-CB 3.26Å; D157-N161 WeakPolarHBondContact O-CB 3.43Å; D157-N161 PolarHBondContact O-N 2.94Å; D157-N161 PolarHBondContact O-ND2 3.36Å
158	V	97.4	Very high	97.1	Very high	20 Å²	20	37.6 Å²	37.6	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-55.4	-48.2	175.9	168.1	0	0	0	0	111.2	R154 A155 F156 F241 V245 F276 L278	R154-V158 WeakPolarHBondContact O-CG2 3.5Å; R154-V158 PolarHBondContact O-N 2.89Å; R154-V158 VanDerWaalsContact O-N 3.13Å; A155-V158 WeakPolarHBondContact O-CB 3.48Å; A155-V158 PolarHBondContact O-N 3.01Å; F156-V158 VanDerWaalsContact C-N 3.26Å; F156-V158 PolarHBondContact O-N 3.41Å; V158-F241 HydrophobicContact CG2-CE2 3.9Å; V158-F241 HydrophobicContact CG2-CZ 3.81Å; V158-V245 HydrophobicContact CB-CG2 4.34Å; V158-V245 HydrophobicContact CG1-CG1 4.01Å; V158-V245 HydrophobicContact CG1-CG2 4.45Å; V158-V245 HydrophobicContact CG2-CG2 4.13Å; V158-F276 HydrophobicContact CG1-CD1 4.21Å; V158-F276 HydrophobicContact CG1-CE1 3.78Å; V158-F276 HydrophobicContact CG2-CD1 3.88Å; V158-F276 HydrophobicContact CG2-CE1 4.21Å; V158-L278 HydrophobicContact CG1-CD1 3.76Å; V158-L278 HydrophobicContact CG1-CD2 3.74Å; V158-L278 HydrophobicContact CG1-CG 3.5Å; V158-L278 VanDerWaalsContact CG1-CG 3.5Å
159	W	97.8	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-75.5	-38.3	179	-63.7	115.7	0	0	0	112.5	F156 D157 N161 V162 T163 F167 V245 L252 L254 I263 M264 L278 D282 I286	F156-W159 PolarHBondContact O-N 3.41Å; F156-W159 VanDerWaalsContact O-N 3.16Å; D157-W159 VanDerWaalsContact C-N 3.33Å; D157-W159 PolarHBondContact O-N 3.47Å; W159-N161 VanDerWaalsContact C-N 3.31Å; W159-N161 PolarHBondContact O-N 3.44Å; W159-V162 PolarHBondContact O-N 3.41Å; W159-T163 WeakPolarHBondContact O-CG2 3.3Å; W159-T163 PolarHBondContact O-N 3.3Å; W159-T163 PolarHBondContact O-OG1 3.38Å; W159-F167 HydrophobicContact CB-CE2 4.24Å; W159-F167 HydrophobicContact CB-CZ 4.37Å; W159-V245 HydrophobicContact CZ2-CG1 4.08Å; W159-V245 VanDerWaalsContact CZ2-O 3.25Å; W159-V245 WeakPolarHBondContact CZ2-O 3.32Å; W159-V245 PolarHBondContact NE1-O 2.65Å; W159-L252 HydrophobicContact CB-CD1 3.63Å; W159-L252 HydrophobicContact CD2-CD1 3.94Å; W159-L252 HydrophobicContact CE3-CD1 4.5Å; W159-L252 HydrophobicContact CG-CD1 3.54Å; W159-L254 HydrophobicContact CH2-CD1 3.38Å; W159-L254 HydrophobicContact CZ2-CD1 4.23Å; W159-L254 HydrophobicContact CZ3-CD1 3.68Å; W159-I263 HydrophobicContact CH2-CG2 4.37Å; W159-I263 HydrophobicContact CZ2-CG2 4.4Å; W159-M264 HydrophobicContact CZ2-SD 4.4Å; W159-L278 HydrophobicContact CE3-CD1 3.8Å; W159-L278 HydrophobicContact CE3-CD2 4.35Å; W159-L278 HydrophobicContact CH2-CD2 3.77Å; W159-L278 HydrophobicContact CZ2-CD2 4.19Å; W159-L278 HydrophobicContact CZ3-CD1 3.83Å; W159-L278 HydrophobicContact CZ3-CD2 3.85Å; W159-D282 HydrophobicContact CH2-CB 4.3Å; W159-I286 HydrophobicContact CE3-CB 4.06Å; W159-I286 HydrophobicContact CE3-CD1 4.15Å; W159-I286 HydrophobicContact CE3-CG1 3.78Å; W159-I286 HydrophobicContact CE3-CG2 4.1Å; W159-I286 HydrophobicContact CZ3-CB 3.76Å; W159-I286 HydrophobicContact CZ3-CD1 4.26Å; W159-I286 HydrophobicContact CZ3-CG1 3.96Å; W159-I286 HydrophobicContact CZ3-CG2 3.93Å
160	Q	97.2	Very high	97	Very high	50 Å²	50	36.9 Å²	36.9	23%	0.234	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-41.5	177.6	-159.2	-178.3	-93.8	0	0	111.7	R153 F156 D157 V162 T163 L165 F167	R153-Q160 VanDerWaalsContact NH2-OE1 3.12Å; F156-Q160 WeakPolarHBondContact O-CB 3.43Å; F156-Q160 PolarHBondContact O-N 3.31Å; D157-Q160 PolarHBondContact O-N 2.94Å; Q160-V162 PolarHBondContact O-N 2.98Å; Q160-T163 PolarHBondContact O-N 3.35Å; Q160-L165 WeakPolarHBondContact CG-O 3.41Å; Q160-F167 HydrophobicContact CB-CD2 3.84Å; Q160-F167 HydrophobicContact CB-CE2 3.92Å; Q160-F167 HydrophobicContact CG-CD2 4.06Å; Q160-F167 HydrophobicContact CG-CE2 4.39Å
161	N	95.9	Very high	96.9	Very high	104 Å²	104	33.6 Å²	33.6	56%	0.556	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-17.5	-176.4	-74.9	-26.5	0	0	0	114	D157 W159 P293	D157-N161 VanDerWaalsContact O-CB 3.26Å; D157-N161 WeakPolarHBondContact O-CB 3.43Å; D157-N161 PolarHBondContact O-N 2.94Å; D157-N161 PolarHBondContact O-ND2 3.36Å; W159-N161 VanDerWaalsContact C-N 3.31Å; W159-N161 PolarHBondContact O-N 3.44Å; N161-P293 WeakPolarHBondContact O-CG 3.12Å
162	V	96.3	Very high	96.6	Very high	28 Å²	28	36.5 Å²	36.5	17%	0.17	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	2.4	-175.6	-56.4	0	0	0	0	114.1	W159 Q160 L278 L283 I286 Q287 P293	W159-V162 PolarHBondContact O-N 3.41Å; Q160-V162 PolarHBondContact O-N 2.98Å; V162-L278 HydrophobicContact CB-CD1 4.45Å; V162-L278 HydrophobicContact CG1-CD1 4.19Å; V162-L278 HydrophobicContact CG2-CD1 3.49Å; V162-L278 VanDerWaalsContact CG2-CD1 3.49Å; V162-L283 HydrophobicContact CB-CD1 3.66Å; V162-L283 HydrophobicContact CG1-CD1 3.79Å; V162-L283 HydrophobicContact CG2-CD1 4.13Å; V162-I286 HydrophobicContact CG2-CG2 3.91Å; V162-Q287 WeakPolarHBondContact O-CG 3.43Å; V162-Q287 PolarHBondContact O-NE2 2.86Å; V162-P293 WeakPolarHBondContact O-CD 3.44Å
163	T	96.8	Very high	96.2	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	21%	0.205	C	C	.	.	S	Bend	trans	-131	168.4	179.4	63.3	0	0	0	0	110.7	W159 Q160 L165 I286	W159-T163 WeakPolarHBondContact O-CG2 3.3Å; W159-T163 PolarHBondContact O-N 3.3Å; W159-T163 PolarHBondContact O-OG1 3.38Å; Q160-T163 PolarHBondContact O-N 3.35Å; T163-L165 PolarHBondContact O-N 2.91Å; T163-L165 WeakPolarHBondContact OG1-CB 3.47Å; T163-L165 PolarHBondContact OG1-N 3.35Å; T163-I286 HydrophobicContact CG2-CB 4.41Å; T163-I286 HydrophobicContact CG2-CG1 3.51Å; T163-I286 HydrophobicContact CG2-CG2 4.08Å
164	P	96.6	Very high	95.7	Very high	15 Å²	15	40.6 Å²	40.6	10%	0.097	21%	0.211	C	C	.	.	S	Bend	trans	-81	8.4	168	34.6	-38.1	0	0	0	113.2	K130 Y290 G291 D294	K130-P164 HydrophobicContact CD-CB 4.11Å; K130-P164 HydrophobicContact CD-CG 4.44Å; P164-Y290 WeakPolarHBondContact CD-O 3.45Å; P164-Y290 WeakPolarHBondContact CG-O 3.41Å; P164-G291 VanDerWaalsContact CD-O 3.26Å; P164-G291 WeakPolarHBondContact CD-O 3.36Å; P164-D294 WeakPolarHBondContact CB-OD2 3.37Å
165	L	97.2	Very high	95.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.202	C	C	.	.			trans	-74.1	154.4	179.6	-60.6	176.6	0	0	0	110.8	K130 I132 Q160 T163 F167 L252 Y290	K130-L165 HydrophobicContact CB-CD2 4.4Å; K130-L165 CarbonylContact O-C 3.6Å; K130-L165 VanDerWaalsContact O-CA 3.31Å; K130-L165 WeakPolarHBondContact O-CA 3.21Å; I132-L165 HydrophobicContact CD1-CD1 3.87Å; I132-L165 HydrophobicContact CD1-CD2 3.99Å; I132-L165 HydrophobicContact CD1-CG 4.35Å; Q160-L165 WeakPolarHBondContact CG-O 3.41Å; T163-L165 PolarHBondContact O-N 2.91Å; T163-L165 WeakPolarHBondContact OG1-CB 3.47Å; T163-L165 PolarHBondContact OG1-N 3.35Å; L165-F167 HydrophobicContact CB-CE2 4.18Å; L165-F167 HydrophobicContact CB-CZ 4.07Å; L165-F167 HydrophobicContact CD1-CZ 4.16Å; L165-L252 HydrophobicContact CD1-CD2 3.67Å; L165-Y290 HydrophobicContact CD1-CD1 4.01Å; L165-Y290 HydrophobicContact CD1-CD2 3.74Å; L165-Y290 HydrophobicContact CD1-CE1 4.06Å; L165-Y290 HydrophobicContact CD1-CE2 3.8Å; L165-Y290 HydrophobicContact CD1-CG 3.86Å; L165-Y290 HydrophobicContact CD2-CD1 3.72Å; L165-Y290 HydrophobicContact CD2-CE1 3.97Å; L165-Y290 HydrophobicContact CD2-CG 4.22Å; L165-Y290 HydrophobicContact CG-CD1 4.08Å; L165-Y290 HydrophobicContact CG-CD2 4.43Å; L165-Y290 HydrophobicContact CG-CE1 4.47Å; L165-Y290 HydrophobicContact CG-CG 4.07Å
166	T	97.6	Very high	94	Very high	64 Å²	64	44.3 Å²	44.3	39%	0.393	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.2	172.5	55.8	0	0	0	0	108.8	K130 H131 I132	K130-T166 PolarHBondContact O-N 3.14Å; K130-T166 PolarHBondContact O-OG1 3.22Å; H131-T166 WeakPolarHBondContact CA-OG1 3.17Å; H131-T166 PolarHBondContact ND1-OG1 3.3Å; I132-T166 PolarHBondContact N-O 3.5Å
167	F	97.9	Very high	92.9	Very high	13 Å²	13	50 Å²	50	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.9	-176.4	-58.3	-80.9	0	0	0	111.7	I132 Y134 R153 F156 W159 Q160 L165 L252	I132-F167 HydrophobicContact CB-CD1 3.77Å; I132-F167 HydrophobicContact CB-CE1 3.91Å; I132-F167 HydrophobicContact CD1-CD1 4.45Å; I132-F167 HydrophobicContact CD1-CE1 3.71Å; I132-F167 HydrophobicContact CD1-CZ 4.34Å; I132-F167 HydrophobicContact CG1-CE1 4.37Å; I132-F167 HydrophobicContact CG2-CD1 3.99Å; I132-F167 HydrophobicContact CG2-CE1 4.07Å; I132-F167 VanDerWaalsContact O-CA 3.27Å; I132-F167 WeakPolarHBondContact O-CA 3.25Å; Y134-F167 HydrophobicContact CD1-CB 4.29Å; Y134-F167 HydrophobicContact CE1-CB 4.24Å; R153-F167 PolarHBondContact NH1-O 2.9Å; R153-F167 VanDerWaalsContact NH1-O 3.15Å; F156-F167 HydrophobicContact CB-CB 4.1Å; F156-F167 HydrophobicContact CB-CD2 3.96Å; F156-F167 HydrophobicContact CB-CG 4.03Å; F156-F167 HydrophobicContact CD1-CB 3.89Å; F156-F167 AromaticContact CD1-CD1 3.24Å; F156-F167 HydrophobicContact CD1-CD1 3.24Å; F156-F167 AromaticContact CD1-CD2 3.86Å; F156-F167 HydrophobicContact CD1-CD2 3.86Å; F156-F167 AromaticContact CD1-CE1 3.6Å; F156-F167 HydrophobicContact CD1-CE1 3.6Å; F156-F167 HydrophobicContact CD1-CE2 4.17Å; F156-F167 AromaticContact CD1-CG 3.38Å; F156-F167 HydrophobicContact CD1-CG 3.38Å; F156-F167 HydrophobicContact CD1-CZ 4.05Å; F156-F167 AromaticContact CE1-CD1 3.52Å; F156-F167 HydrophobicContact CE1-CD1 3.52Å; F156-F167 AromaticContact CE1-CE1 3.82Å; F156-F167 HydrophobicContact CE1-CE1 3.82Å; F156-F167 HydrophobicContact CE1-CG 4.1Å; F156-F167 HydrophobicContact CG-CB 4.1Å; F156-F167 HydrophobicContact CG-CD1 4.25Å; F156-F167 HydrophobicContact CG-CD2 4.35Å; F156-F167 AromaticContact CG-CG 3.99Å; F156-F167 HydrophobicContact CG-CG 3.99Å; W159-F167 HydrophobicContact CB-CE2 4.24Å; W159-F167 HydrophobicContact CB-CZ 4.37Å; Q160-F167 HydrophobicContact CB-CD2 3.84Å; Q160-F167 HydrophobicContact CB-CE2 3.92Å; Q160-F167 HydrophobicContact CG-CD2 4.06Å; Q160-F167 HydrophobicContact CG-CE2 4.39Å; L165-F167 HydrophobicContact CB-CE2 4.18Å; L165-F167 HydrophobicContact CB-CZ 4.07Å; L165-F167 HydrophobicContact CD1-CZ 4.16Å; F167-L252 HydrophobicContact CE1-CD2 3.96Å; F167-L252 HydrophobicContact CZ-CD1 4.07Å; F167-L252 HydrophobicContact CZ-CD2 3.93Å
168	E	97.2	Very high	91.7	Very high	76 Å²	76	51 Å²	51	36%	0.355	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.7	176.7	178.1	-178.4	139.7	0	0	110.9	H131 I132 T133 Y134 R180	H131-E168 IonicContact CE1-OE2 3.91Å; H131-E168 PolarHBondContact CE1-OE2 2.96Å; H131-E168 VanDerWaalsContact CE1-OE2 3.3Å; H131-E168 IonicContact NE2-OE2 3.26Å; H131-E168 PolarHBondContact NE2-OE2 3.37Å; I132-E168 PolarHBondContact O-N 3.49Å; T133-E168 WeakPolarHBondContact CA-O 3.44Å; T133-E168 HydrophobicContact CG2-CB 4.48Å; Y134-E168 WeakPolarHBondContact CD1-O 3.38Å; Y134-E168 PolarHBondContact N-O 3.2Å; E168-R180 IonicContact OE1-NH2 3.57Å; E168-R180 PolarHBondContact OE1-NH2 2.76Å; E168-R180 VanDerWaalsContact OE1-NH2 3.07Å
169	E	96.5	Very high	90.3	Very high	64 Å²	64	59.1 Å²	59.1	30%	0.299	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.9	170.8	-165.3	167.8	146.1	0	0	110.1	Y134 R149	Y134-E169 HydrophobicContact CD2-CG 4.22Å; Y134-E169 HydrophobicContact CE1-CB 3.88Å; Y134-E169 HydrophobicContact CE1-CG 4.5Å; Y134-E169 HydrophobicContact CE2-CB 3.87Å; Y134-E169 HydrophobicContact CE2-CG 3.58Å; Y134-E169 WeakPolarHBondContact CE2-OE2 3.22Å; Y134-E169 VanDerWaalsContact CZ-CB 3.49Å; Y134-E169 CarbonylContact O-C 3.52Å; Y134-E169 WeakPolarHBondContact O-CA 3.46Å; Y134-E169 WeakPolarHBondContact OH-CB 3.27Å; Y134-E169 PolarHBondContact OH-OE2 3.39Å; R149-E169 IonicContact CZ-OE1 3.81Å; R149-E169 IonicContact NH1-OE1 2.84Å; R149-E169 PolarHBondContact NH1-OE1 2.96Å
170	V	94.9	Very high	89.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.335	C	S	.	.			trans	-105.7	125.5	172.8	-178.1	0	0	0	0	108.8	T133 Y134 S135 Y172 E174 L175 V182	T133-V170 HydrophobicContact CG2-CG2 4.34Å; Y134-V170 PolarHBondContact O-N 2.86Å; S135-V170 VanDerWaalsContact CB-O 3.3Å; S135-V170 WeakPolarHBondContact CB-O 3.17Å; S135-V170 PolarHBondContact OG-O 3.15Å; V170-Y172 PolarHBondContact O-N 2.86Å; V170-E174 HydrophobicContact CG1-CB 4.13Å; V170-L175 HydrophobicContact CB-CD1 4.36Å; V170-L175 HydrophobicContact CG1-CD1 3.71Å; V170-V182 HydrophobicContact CB-CG1 3.94Å; V170-V182 HydrophobicContact CG1-CG1 4.35Å; V170-V182 HydrophobicContact CG2-CG1 4.09Å
171	P	93.4	Very high	88.5	Confident	61 Å²	61	67.3 Å²	67.3	40%	0.396	36%	0.357	S	S	.	.			trans	-56.5	132	177.2	-24.8	33.7	0	0	0	112	S173 E174 L175	P171-S173 PolarHBondContact O-N 3.43Å; P171-S173 VanDerWaalsContact O-N 3.09Å; P171-E174 WeakPolarHBondContact O-CB 3.25Å; P171-E174 PolarHBondContact O-N 2.96Å; P171-L175 WeakPolarHBondContact O-CD1 3.21Å
172	Y	89.1	Confident	88.2	Confident	66 Å²	66	62.9 Å²	62.9	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-57.2	-31.1	-175.9	-169.6	-103.8	0	0	0	113.5	S135 K137 V170 E174 L175 E176	S135-Y172 VanDerWaalsContact OG-CA 3.3Å; S135-Y172 WeakPolarHBondContact OG-CA 3.48Å; S135-Y172 PolarHBondContact OG-N 2.98Å; K137-Y172 HydrophobicContact CB-CD2 3.9Å; K137-Y172 HydrophobicContact CB-CE2 3.75Å; K137-Y172 HydrophobicContact CB-CG 4.38Å; K137-Y172 HydrophobicContact CD-CE2 4.17Å; K137-Y172 WeakPolarHBondContact CE-OH 3.28Å; K137-Y172 HydrophobicContact CG-CD1 4.33Å; K137-Y172 HydrophobicContact CG-CD2 4.24Å; K137-Y172 HydrophobicContact CG-CE1 3.86Å; K137-Y172 HydrophobicContact CG-CE2 3.77Å; V170-Y172 PolarHBondContact O-N 2.86Å; Y172-E174 PolarHBondContact O-N 3.38Å; Y172-E174 VanDerWaalsContact O-N 3.13Å; Y172-L175 HydrophobicContact CD2-CD2 4.15Å; Y172-L175 HydrophobicContact CE2-CD2 4.32Å; Y172-L175 WeakPolarHBondContact O-CB 3.31Å; Y172-L175 PolarHBondContact O-N 3.04Å; Y172-E176 HydrophobicContact CD1-CG 4Å; Y172-E176 HydrophobicContact CE1-CG 3.89Å; Y172-E176 PolarHBondContact O-N 3.32Å
173	S	90.1	Very high	88	Confident	71 Å²	71	63 Å²	63	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-23.7	175.3	55.4	0	0	0	0	114.3	P171 L175	P171-S173 PolarHBondContact O-N 3.43Å; P171-S173 VanDerWaalsContact O-N 3.09Å; S173-L175 VanDerWaalsContact C-N 3.33Å
174	E	88.3	Confident	87.9	Confident	80 Å²	80	62.8 Å²	62.8	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-74.3	-26.7	174.5	-66.5	-175.1	-156.4	0	0	112.4	V170 P171 Y172 R180	V170-E174 HydrophobicContact CG1-CB 4.13Å; P171-E174 WeakPolarHBondContact O-CB 3.25Å; P171-E174 PolarHBondContact O-N 2.96Å; Y172-E174 PolarHBondContact O-N 3.38Å; Y172-E174 VanDerWaalsContact O-N 3.13Å; E174-R180 IonicContact OE2-CZ 3.87Å; E174-R180 IonicContact OE2-NH1 3.89Å; E174-R180 PolarHBondContact OE2-NH1 3.01Å
175	L	83.4	Confident	87.6	Confident	24 Å²	24	63.1 Å²	63.1	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-83	-30.3	-179.7	-68.5	66.4	0	0	0	111.3	V170 P171 Y172 S173 N177 G178 V182	V170-L175 HydrophobicContact CB-CD1 4.36Å; V170-L175 HydrophobicContact CG1-CD1 3.71Å; P171-L175 WeakPolarHBondContact O-CD1 3.21Å; Y172-L175 HydrophobicContact CD2-CD2 4.15Å; Y172-L175 HydrophobicContact CE2-CD2 4.32Å; Y172-L175 WeakPolarHBondContact O-CB 3.31Å; Y172-L175 PolarHBondContact O-N 3.04Å; S173-L175 VanDerWaalsContact C-N 3.33Å; L175-N177 PolarHBondContact O-N 3.03Å; L175-N177 VanDerWaalsContact O-N 3.11Å; L175-G178 PolarHBondContact O-N 2.84Å; L175-V182 HydrophobicContact CD1-CG1 3.99Å; L175-V182 HydrophobicContact CD2-CB 4.38Å; L175-V182 HydrophobicContact CD2-CG1 3.89Å; L175-V182 HydrophobicContact CD2-CG2 3.63Å; L175-V182 HydrophobicContact CG-CG1 4.16Å
176	E	75.8	Confident	87.6	Confident	137 Å²	137	63 Å²	63	64%	0.64	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.9	-179.5	-68.6	-177	139.2	0	0	113.3	Y172 G178	Y172-E176 HydrophobicContact CD1-CG 4Å; Y172-E176 HydrophobicContact CE1-CG 3.89Å; Y172-E176 PolarHBondContact O-N 3.32Å; E176-G178 VanDerWaalsContact C-N 3.25Å; E176-G178 PolarHBondContact O-N 3.05Å
177	N	74.6	Confident	87.3	Confident	121 Å²	121	60.8 Å²	60.8	65%	0.647	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-3.7	177.8	-66.1	-40.5	0	0	0	113.6	L175 K179	L175-N177 PolarHBondContact O-N 3.03Å; L175-N177 VanDerWaalsContact O-N 3.11Å; N177-K179 HydrophobicContact CB-CG 4.44Å; N177-K179 PolarHBondContact O-N 3.18Å; N177-K179 VanDerWaalsContact O-N 3.16Å
178	G	71.7	Confident	87	Confident	70 Å²	70	60.4 Å²	60.4	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	9.9	-178.9	0	0	0	0	0	115	L175 E176	L175-G178 PolarHBondContact O-N 2.84Å; E176-G178 VanDerWaalsContact C-N 3.25Å; E176-G178 PolarHBondContact O-N 3.05Å
179	K	67.9	Low	86.2	Confident	191 Å²	191	57.7 Å²	57.7	83%	0.83	31%	0.308	S	S	*	.	S	Bend	trans	-88.7	-21.8	-176.5	-69.9	-175.6	-179.2	177.5	0	113.6	N177	N177-K179 HydrophobicContact CB-CG 4.44Å; N177-K179 PolarHBondContact O-N 3.18Å; N177-K179 VanDerWaalsContact O-N 3.16Å
180	R	78.1	Confident	85.4	Confident	93 Å²	93	57.2 Å²	57.2	35%	0.351	31%	0.312	S	S	.	.			trans	-133	135.1	-176.9	-169.6	171.7	-176.9	-175.4	0.6	108.1	E168 E174	E168-R180 IonicContact OE1-NH2 3.57Å; E168-R180 PolarHBondContact OE1-NH2 2.76Å; E168-R180 VanDerWaalsContact OE1-NH2 3.07Å; E174-R180 IonicContact OE2-CZ 3.87Å; E174-R180 IonicContact OE2-NH1 3.89Å; E174-R180 PolarHBondContact OE2-NH1 3.01Å
181	D	79	Confident	84.2	Confident	129 Å²	129	58.4 Å²	58.4	69%	0.69	32%	0.324	S	S	*	.			trans	-109.7	160	171	-160	8.6	0	0	0	108.5
182	V	90.5	Very high	83	Confident	10 Å²	10	63.1 Å²	63.1	6%	0.061	34%	0.338	C	S	.	.			trans	-127.8	158.6	177.6	-62.3	0	0	0	0	110.2	T133 V170 L175	T133-V182 WeakPolarHBondContact OG1-CA 3.2Å; V170-V182 HydrophobicContact CB-CG1 3.94Å; V170-V182 HydrophobicContact CG1-CG1 4.35Å; V170-V182 HydrophobicContact CG2-CG1 4.09Å; L175-V182 HydrophobicContact CD1-CG1 3.99Å; L175-V182 HydrophobicContact CD2-CB 4.38Å; L175-V182 HydrophobicContact CD2-CG1 3.89Å; L175-V182 HydrophobicContact CD2-CG2 3.63Å; L175-V182 HydrophobicContact CG-CG1 4.16Å
183	D	92.4	Very high	81.9	Confident	30 Å²	30	61.4 Å²	61.4	16%	0.16	33%	0.332	C	S	.	.	S	Bend	trans	-75.5	-29.9	-179.3	-56.6	-68.9	0	0	0	112.7	W127 H129 I132 T133 G217	W127-D183 HydrophobicContact CH2-CB 3.81Å; W127-D183 VanDerWaalsContact CH2-O 3.25Å; W127-D183 WeakPolarHBondContact CH2-O 3.3Å; W127-D183 HydrophobicContact CZ2-CB 4.12Å; W127-D183 WeakPolarHBondContact CZ2-O 3.21Å; W127-D183 HydrophobicContact CZ3-CB 4.04Å; H129-D183 IonicContact CE1-OD1 3.29Å; H129-D183 PolarHBondContact CE1-OD1 3.34Å; H129-D183 IonicContact CE1-OD2 2.7Å; H129-D183 IonicContact NE2-OD1 2.8Å; H129-D183 PolarHBondContact NE2-OD1 2.9Å; H129-D183 IonicContact NE2-OD2 2.66Å; H129-D183 PolarHBondContact NE2-OD2 3.35Å; I132-D183 WeakPolarHBondContact CA-OD2 3.48Å; I132-D183 HydrophobicContact CG2-CB 3.79Å; T133-D183 PolarHBondContact N-OD2 3.21Å; T133-D183 WeakPolarHBondContact O-CB 3.22Å; T133-D183 PolarHBondContact O-N 3.48Å; T133-D183 PolarHBondContact OG1-N 2.99Å; T133-D183 PolarHBondContact OG1-OD2 2.89Å; D183-G217 VanDerWaalsContact O-O 3.12Å
184	I	93.9	Very high	80.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	116.5	-176.6	-63.2	173.9	0	0	0	110.2	W127 I132 T133 Y134 S135 F156 I186 G218 A251	W127-I184 HydrophobicContact CZ2-CG1 4.2Å; I132-I184 HydrophobicContact CG2-CD1 3.8Å; I132-I184 HydrophobicContact CG2-CG1 4.22Å; T133-I184 PolarHBondContact O-N 3.29Å; T133-I184 VanDerWaalsContact O-N 3.08Å; Y134-I184 CarbonylContact C-O 3.6Å; Y134-I184 WeakPolarHBondContact CA-O 3.28Å; Y134-I184 WeakPolarHBondContact CB-O 3.44Å; S135-I184 PolarHBondContact N-O 2.91Å; F156-I184 HydrophobicContact CE1-CD1 4.14Å; F156-I184 HydrophobicContact CZ-CD1 4.47Å; F156-I184 HydrophobicContact CZ-CG2 4.45Å; I184-I186 HydrophobicContact CG2-CG1 4.1Å; I184-G218 WeakPolarHBondContact CG2-O 3.44Å; I184-A251 HydrophobicContact CD1-CB 4.01Å
185	T	90.9	Very high	79.2	Confident	23 Å²	23	58.4 Å²	58.4	14%	0.141	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.3	168.5	-51.3	0	0	0	0	110.3	K137 I187 D219 T220	K137-T185 HydrophobicContact CB-CG2 4.45Å; T185-I187 HydrophobicContact CG2-CG2 3.88Å; T185-D219 WeakPolarHBondContact CA-OD1 3.31Å; T185-D219 WeakPolarHBondContact CB-OD1 3.37Å; T185-D219 PolarHBondContact N-OD1 3.35Å; T185-D219 WeakPolarHBondContact O-CA 3.19Å; T185-D219 PolarHBondContact OG1-OD1 2.89Å; T185-T220 PolarHBondContact O-N 2.95Å
186	I	95.9	Very high	78	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	175.6	-64.1	173.5	0	0	0	109.3	Y134 S135 I136 K137 I152 F156 I184 F188 T220 F222	Y134-I186 HydrophobicContact CD2-CD1 4.19Å; S135-I186 PolarHBondContact O-N 2.96Å; I136-I186 HydrophobicContact CG1-CB 4.31Å; I136-I186 HydrophobicContact CG1-CD1 4.42Å; K137-I186 PolarHBondContact N-O 3.19Å; I152-I186 HydrophobicContact CG2-CD1 3.4Å; F156-I186 HydrophobicContact CE2-CD1 3.82Å; F156-I186 HydrophobicContact CZ-CD1 4.11Å; I184-I186 HydrophobicContact CG2-CG1 4.1Å; I186-F188 HydrophobicContact CG2-CE2 4.31Å; I186-T220 WeakPolarHBondContact CA-O 3.49Å; I186-F222 HydrophobicContact CG2-CD2 4.03Å; I186-F222 HydrophobicContact CG2-CE2 3.73Å
187	I	91.3	Very high	77.4	Confident	17 Å²	17	58 Å²	58	9%	0.087	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.3	178.4	78.9	-178.3	0	0	0	111.2	K137 N138 T185 T220 H221 F222	K137-I187 HydrophobicContact CB-CG2 3.81Å; K137-I187 HydrophobicContact CD-CB 4.49Å; K137-I187 HydrophobicContact CD-CG2 3.7Å; K137-I187 HydrophobicContact CG-CG2 4.36Å; N138-I187 WeakPolarHBondContact OD1-CA 3.36Å; T185-I187 HydrophobicContact CG2-CG2 3.88Å; I187-T220 PolarHBondContact N-O 3.17Å; I187-H221 HydrophobicContact CD1-CB 4.43Å; I187-H221 VanDerWaalsContact CD1-CD2 3.44Å; I187-H221 WeakPolarHBondContact CD1-CD2 3.48Å; I187-H221 HydrophobicContact CG1-CB 4.05Å; I187-H221 VanDerWaalsContact CG1-CD2 3.41Å; I187-H221 WeakPolarHBondContact CG1-CD2 3.29Å; I187-H221 WeakPolarHBondContact O-CA 3.2Å; I187-F222 PolarHBondContact O-N 3.27Å
188	F	93.3	Very high	77.1	Confident	5 Å²	5	55.5 Å²	55.5	2%	0.022	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122	166.1	-68.3	-100.6	0	0	0	107.5	N138 T140 T148 I186 F222 S224 L240	N138-F188 PolarHBondContact ND2-O 2.97Å; N138-F188 WeakPolarHBondContact O-CD2 3.32Å; N138-F188 PolarHBondContact OD1-N 3.46Å; N138-F188 PolarHBondContact OD1-O 3.38Å; T140-F188 HydrophobicContact CG2-CD1 4.14Å; T140-F188 HydrophobicContact CG2-CE1 3.66Å; T140-F188 HydrophobicContact CG2-CZ 4.12Å; T148-F188 HydrophobicContact CG2-CE2 3.85Å; T148-F188 HydrophobicContact CG2-CZ 3.77Å; I186-F188 HydrophobicContact CG2-CE2 4.31Å; F188-F222 WeakPolarHBondContact CA-O 3.31Å; F188-F222 HydrophobicContact CD1-CB 3.53Å; F188-F222 HydrophobicContact CD1-CG 4.26Å; F188-F222 HydrophobicContact CE1-CB 3.63Å; F188-F222 HydrophobicContact CE1-CD2 4.17Å; F188-F222 AromaticContact CE1-CG 3.88Å; F188-F222 HydrophobicContact CE1-CG 3.88Å; F188-F222 HydrophobicContact CE2-CD2 4.3Å; F188-F222 HydrophobicContact CG-CB 4.17Å; F188-F222 HydrophobicContact CZ-CB 4.34Å; F188-F222 HydrophobicContact CZ-CD2 4.03Å; F188-F222 HydrophobicContact CZ-CG 4.19Å; F188-S224 WeakPolarHBondContact CB-OG 3.22Å; F188-S224 PolarHBondContact O-OG 3.1Å; F188-L240 HydrophobicContact CE1-CD1 3.82Å; F188-L240 HydrophobicContact CE1-CD2 4.4Å; F188-L240 HydrophobicContact CZ-CD1 3.87Å; F188-L240 HydrophobicContact CZ-CD2 4.11Å
189	A	79.5	Confident	77.3	Confident	19 Å²	19	52.8 Å²	52.8	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.7	-179.7	0	0	0	0	0	111.9	H193 F199 F222 D223 S224	A189-H193 HydrophobicContact CB-CB 3.25Å; A189-F199 WeakPolarHBondContact O-CD2 3.28Å; A189-F199 WeakPolarHBondContact O-CE2 3.18Å; A189-F222 PolarHBondContact N-O 3.45Å; A189-D223 CarbonylContact O-C 3.59Å; A189-D223 WeakPolarHBondContact O-CA 3.49Å; A189-S224 WeakPolarHBondContact CA-OG 3.31Å; A189-S224 PolarHBondContact N-OG 2.94Å; A189-S224 PolarHBondContact O-N 3.5Å
190	S	79.5	Confident	77.7	Confident	54 Å²	54	47.1 Å²	47.1	38%	0.378	28%	0.282	S	S	.	.			trans	-114.2	151.4	175.9	-55.7	0	0	0	0	109.9	F192 S224 D225	S190-F192 PolarHBondContact O-N 2.91Å; S190-S224 WeakPolarHBondContact OG-CB 3.36Å; S190-D225 WeakPolarHBondContact CB-OD1 3.47Å; S190-D225 WeakPolarHBondContact CB-OD2 3.32Å; S190-D225 PolarHBondContact OG-OD1 3.37Å
191	G	69.3	Low	77.5	Confident	25 Å²	25	43.4 Å²	43.4	26%	0.258	27%	0.272	S	S	.	.	S	Bend	trans	50.4	-130.5	175.7	0	0	0	0	0	113.8	H193 P198 F199	G191-H193 PolarHBondContact O-N 3.11Å; G191-H193 PolarHBondContact O-ND1 3.33Å; G191-P198 CarbonylContact O-C 3.58Å; G191-P198 WeakPolarHBondContact O-CA 3.47Å; G191-F199 PolarHBondContact O-N 2.94Å
192	F	68.1	Low	77.6	Confident	159 Å²	159	44.5 Å²	44.5	70%	0.697	27%	0.273	S	S	*	.	S	Bend	trans	-76.6	118	176.1	-176.3	-97.1	0	0	0	111.3	S190 D195 P198	S190-F192 PolarHBondContact O-N 2.91Å; F192-D195 WeakPolarHBondContact CE2-O 3.46Å; F192-P198 HydrophobicContact CB-CB 4.39Å; F192-P198 HydrophobicContact CD2-CB 4.44Å
193	H	67.2	Low	76.9	Confident	30 Å²	30	45.2 Å²	45.2	14%	0.139	28%	0.283	C	S	.	.			trans	-130.4	24.4	-167.7	55.2	-90.9	0	0	0	115.2	A189 G191 D195 S197 F199 H208 H221	A189-H193 HydrophobicContact CB-CB 3.25Å; G191-H193 PolarHBondContact O-N 3.11Å; G191-H193 PolarHBondContact O-ND1 3.33Å; H193-D195 IonicContact CD2-OD1 3.85Å; H193-D195 IonicContact CD2-OD2 3.77Å; H193-D195 IonicContact CE1-OD1 3.19Å; H193-D195 IonicContact NE2-OD1 3.24Å; H193-D195 PolarHBondContact NE2-OD1 3.38Å; H193-D195 IonicContact NE2-OD2 2.8Å; H193-D195 PolarHBondContact NE2-OD2 3.37Å; H193-S197 PolarHBondContact CE1-O 3.26Å; H193-F199 AromaticContact CE1-CD2 3.2Å; H193-F199 WeakPolarHBondContact CE1-CD2 3.1Å; H193-F199 AromaticContact CE1-CE2 3.21Å; H193-F199 WeakPolarHBondContact CE1-CE2 3.39Å; H193-F199 AromaticContact CE1-CG 3.83Å; H193-F199 AromaticContact CE1-CZ 3.83Å; H193-F199 AromaticContact ND1-CD2 3.28Å; H193-F199 VanDerWaalsContact ND1-CD2 3.28Å; H193-F199 WeakPolarHBondContact ND1-CD2 3.4Å; H193-F199 AromaticContact ND1-CE2 3.6Å; H193-F199 AromaticContact NE2-CE2 3.58Å; H193-H208 AromaticContact CE1-CE1 3.6Å; H193-H208 AromaticContact NE2-CE1 3.28Å; H193-H208 PolarHBondContact NE2-CE1 3.29Å; H193-H208 VanDerWaalsContact NE2-CE1 3.28Å; H193-H208 AromaticContact NE2-NE2 3.54Å; H193-H221 AromaticContact CD2-CE1 3.97Å; H193-H221 AromaticContact CD2-ND1 3.26Å; H193-H221 PolarHBondContact CD2-ND1 3.02Å; H193-H221 VanDerWaalsContact CD2-ND1 3.26Å; H193-H221 AromaticContact NE2-CG 3.89Å; H193-H221 AromaticContact NE2-ND1 3.14Å; H193-H221 PolarHBondContact NE2-ND1 2.88Å; H193-H221 VanDerWaalsContact NE2-ND1 3.14Å
194	G	52.9	Low	76.2	Confident	69 Å²	69	44.9 Å²	44.9	71%	0.711	29%	0.287	S	S	*	.	S	Bend	trans	100.8	1.3	170.7	0	0	0	0	0	115.3
195	D	68.2	Low	75.8	Confident	19 Å²	19	45 Å²	45	10%	0.102	29%	0.287	C	S	.	.	S	Bend	trans	-119.7	-172.8	171.5	73.4	13.5	0	0	0	112	F192 H193 S197 H208 Y210 H221	F192-D195 WeakPolarHBondContact CE2-O 3.46Å; H193-D195 IonicContact CD2-OD1 3.85Å; H193-D195 IonicContact CD2-OD2 3.77Å; H193-D195 IonicContact CE1-OD1 3.19Å; H193-D195 IonicContact NE2-OD1 3.24Å; H193-D195 PolarHBondContact NE2-OD1 3.38Å; H193-D195 IonicContact NE2-OD2 2.8Å; H193-D195 PolarHBondContact NE2-OD2 3.37Å; D195-S197 VanDerWaalsContact C-N 3.3Å; D195-S197 PolarHBondContact O-N 2.95Å; D195-S197 WeakPolarHBondContact OD1-CA 3.39Å; D195-S197 PolarHBondContact OD1-N 3.27Å; D195-H208 IonicContact OD2-CD2 2.85Å; D195-H208 IonicContact OD2-CE1 3.06Å; D195-H208 IonicContact OD2-NE2 2.81Å; D195-H208 PolarHBondContact OD2-NE2 3.25Å; D195-Y210 HydrophobicContact CB-CE2 4.44Å; D195-Y210 VanDerWaalsContact CB-OH 3.31Å; D195-Y210 WeakPolarHBondContact CB-OH 3.45Å; D195-Y210 PolarHBondContact OD2-OH 3.43Å; D195-H221 IonicContact OD2-CE1 2.72Å; D195-H221 PolarHBondContact OD2-CE1 3.49Å; D195-H221 IonicContact OD2-ND1 3.87Å; D195-H221 PolarHBondContact OD2-ND1 3.35Å
196	S	58	Low	75.9	Confident	109 Å²	109	44.1 Å²	44.1	76%	0.762	28%	0.281	S	S	*	.	S	Bend	trans	-88.1	13.1	-180	62.1	0	0	0	0	114.4
197	S	64.2	Low	75.8	Confident	44 Å²	44	44 Å²	44	31%	0.308	28%	0.281	S	S	.	.			trans	-131	66.9	-168.4	-61.7	0	0	0	0	111.7	H193 D195 F199 H208	H193-S197 PolarHBondContact CE1-O 3.26Å; D195-S197 VanDerWaalsContact C-N 3.3Å; D195-S197 PolarHBondContact O-N 2.95Å; D195-S197 WeakPolarHBondContact OD1-CA 3.39Å; D195-S197 PolarHBondContact OD1-N 3.27Å; S197-F199 PolarHBondContact O-N 3.03Å; S197-H208 PolarHBondContact O-CE1 3.4Å; S197-H208 VanDerWaalsContact O-CE1 3.3Å
198	P	68.1	Low	75.7	Confident	68 Å²	68	43.6 Å²	43.6	44%	0.442	28%	0.279	S	S	.	.			trans	-67.5	133.6	-174.3	28.8	-35.6	0	0	0	112.9	G191 F192 F205	G191-P198 CarbonylContact O-C 3.58Å; G191-P198 WeakPolarHBondContact O-CA 3.47Å; F192-P198 HydrophobicContact CB-CB 4.39Å; F192-P198 HydrophobicContact CD2-CB 4.44Å; P198-F205 WeakPolarHBondContact O-CE1 3.35Å; P198-F205 WeakPolarHBondContact O-CZ 3.42Å
199	F	76.2	Confident	75.6	Confident	13 Å²	13	43.7 Å²	43.7	6%	0.057	28%	0.28	C	S	.	.			trans	-59.8	147.9	175.1	-74.9	-52.4	0	0	0	113.1	A189 G191 H193 S197 F205 H208 H221 D223	A189-F199 WeakPolarHBondContact O-CD2 3.28Å; A189-F199 WeakPolarHBondContact O-CE2 3.18Å; G191-F199 PolarHBondContact O-N 2.94Å; H193-F199 AromaticContact CE1-CD2 3.2Å; H193-F199 WeakPolarHBondContact CE1-CD2 3.1Å; H193-F199 AromaticContact CE1-CE2 3.21Å; H193-F199 WeakPolarHBondContact CE1-CE2 3.39Å; H193-F199 AromaticContact CE1-CG 3.83Å; H193-F199 AromaticContact CE1-CZ 3.83Å; H193-F199 AromaticContact ND1-CD2 3.28Å; H193-F199 VanDerWaalsContact ND1-CD2 3.28Å; H193-F199 WeakPolarHBondContact ND1-CD2 3.4Å; H193-F199 AromaticContact ND1-CE2 3.6Å; H193-F199 AromaticContact NE2-CE2 3.58Å; S197-F199 PolarHBondContact O-N 3.03Å; F199-F205 HydrophobicContact CB-CZ 4.31Å; F199-F205 AromaticContact CD1-CD2 3.74Å; F199-F205 HydrophobicContact CD1-CD2 3.74Å; F199-F205 HydrophobicContact CD1-CE1 4.3Å; F199-F205 AromaticContact CD1-CE2 3.14Å; F199-F205 HydrophobicContact CD1-CE2 3.14Å; F199-F205 AromaticContact CD1-CZ 3.52Å; F199-F205 HydrophobicContact CD1-CZ 3.52Å; F199-F205 AromaticContact CE1-CD2 3.78Å; F199-F205 HydrophobicContact CE1-CD2 3.78Å; F199-F205 AromaticContact CE1-CE2 3.36Å; F199-F205 HydrophobicContact CE1-CE2 3.36Å; F199-F205 HydrophobicContact CE1-CZ 4.2Å; F199-F205 HydrophobicContact CG-CE2 4.2Å; F199-F205 HydrophobicContact CG-CZ 4.24Å; F199-H208 AromaticContact CE1-ND1 3.76Å; F199-H208 AromaticContact CZ-CE1 3.87Å; F199-H208 AromaticContact CZ-ND1 3.91Å; F199-H221 HydrophobicContact CE2-CB 4.19Å; F199-H221 HydrophobicContact CZ-CB 3.89Å; F199-D223 HydrophobicContact CB-CB 4.35Å; F199-D223 VanDerWaalsContact CB-OD2 3.31Å; F199-D223 WeakPolarHBondContact CB-OD2 3.18Å; F199-D223 HydrophobicContact CD1-CB 3.47Å; F199-D223 VanDerWaalsContact CD1-CB 3.47Å; F199-D223 HydrophobicContact CD2-CB 4.07Å; F199-D223 HydrophobicContact CE1-CB 3.74Å; F199-D223 HydrophobicContact CE2-CB 4.28Å; F199-D223 HydrophobicContact CG-CB 3.7Å; F199-D223 HydrophobicContact CZ-CB 4.16Å
200	D	74.8	Confident	75.7	Confident	73 Å²	73	45 Å²	45	39%	0.39	28%	0.282	S	S	.	.			trans	-102.2	2.8	-174.7	55.3	-6.9	0	0	0	114.9	K49 F205	K49-D200 IonicContact NZ-OD2 2.76Å; D200-F205 HydrophobicContact CB-CD1 4.29Å; D200-F205 HydrophobicContact CB-CE1 3.96Å; D200-F205 VanDerWaalsContact CG-CE1 3.5Å; D200-F205 WeakPolarHBondContact OD1-CD1 3.43Å; D200-F205 VanDerWaalsContact OD1-CE1 3.29Å; D200-F205 WeakPolarHBondContact OD1-CE1 3.3Å; D200-F205 PolarHBondContact OD1-N 2.88Å; D200-F205 WeakPolarHBondContact OD2-CD1 3.38Å
201	G	74	Confident	76.1	Confident	15 Å²	15	44.2 Å²	44.2	16%	0.155	27%	0.271	C	S	.	.	S	Bend	trans	99.6	-152.2	177.6	0	0	0	0	0	111	G203	G201-G203 PolarHBondContact O-N 3.28Å
202	E	82	Confident	77	Confident	151 Å²	151	43.3 Å²	43.3	71%	0.706	26%	0.261	S	S	*	.	S	Bend	trans	-70.4	123.9	179.6	-173	176.1	167.9	0	0	112
203	G	75.4	Confident	77.4	Confident	25 Å²	25	36.9 Å²	36.9	26%	0.258	24%	0.239	S	C	.	.	S	Bend	trans	83.6	-177	-176.7	0	0	0	0	0	112.3	G201 F205 E226	G201-G203 PolarHBondContact O-N 3.28Å; G203-F205 PolarHBondContact O-N 3.47Å; G203-E226 VanDerWaalsContact CA-OE1 3.22Å; G203-E226 WeakPolarHBondContact CA-OE1 3.5Å; G203-E226 VanDerWaalsContact N-CD 3.33Å; G203-E226 PolarHBondContact N-OE1 2.86Å; G203-E226 PolarHBondContact N-OE2 3.24Å
204	G	78.2	Confident	77.6	Confident	24 Å²	24	41.6 Å²	41.6	25%	0.247	27%	0.272	C	S	.	.	S	Bend	trans	80.1	-107.8	-175.6	0	0	0	0	0	110.9	P99 R100	P99-G204 CarbonylContact C-O 3.48Å; P99-G204 VanDerWaalsContact CA-O 3.31Å; P99-G204 WeakPolarHBondContact CA-O 3.17Å; R100-G204 PolarHBondContact N-O 3.14Å
205	F	85.2	Confident	78.5	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.013	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-111.3	118.8	-179.7	77.3	-78.3	0	0	0	114.1	R100 P198 F199 D200 G203 H208	R100-F205 CarbonylContact O-C 3.52Å; R100-F205 WeakPolarHBondContact O-CA 3.38Å; P198-F205 WeakPolarHBondContact O-CE1 3.35Å; P198-F205 WeakPolarHBondContact O-CZ 3.42Å; F199-F205 HydrophobicContact CB-CZ 4.31Å; F199-F205 AromaticContact CD1-CD2 3.74Å; F199-F205 HydrophobicContact CD1-CD2 3.74Å; F199-F205 HydrophobicContact CD1-CE1 4.3Å; F199-F205 AromaticContact CD1-CE2 3.14Å; F199-F205 HydrophobicContact CD1-CE2 3.14Å; F199-F205 AromaticContact CD1-CZ 3.52Å; F199-F205 HydrophobicContact CD1-CZ 3.52Å; F199-F205 AromaticContact CE1-CD2 3.78Å; F199-F205 HydrophobicContact CE1-CD2 3.78Å; F199-F205 AromaticContact CE1-CE2 3.36Å; F199-F205 HydrophobicContact CE1-CE2 3.36Å; F199-F205 HydrophobicContact CE1-CZ 4.2Å; F199-F205 HydrophobicContact CG-CE2 4.2Å; F199-F205 HydrophobicContact CG-CZ 4.24Å; D200-F205 HydrophobicContact CB-CD1 4.29Å; D200-F205 HydrophobicContact CB-CE1 3.96Å; D200-F205 VanDerWaalsContact CG-CE1 3.5Å; D200-F205 WeakPolarHBondContact OD1-CD1 3.43Å; D200-F205 VanDerWaalsContact OD1-CE1 3.29Å; D200-F205 WeakPolarHBondContact OD1-CE1 3.3Å; D200-F205 PolarHBondContact OD1-N 2.88Å; D200-F205 WeakPolarHBondContact OD2-CD1 3.38Å; G203-F205 PolarHBondContact O-N 3.47Å; F205-H208 AromaticContact CE2-ND1 3.66Å
206	L	92	Very high	78.6	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	29%	0.285	C	S	.	.			trans	-74.2	-34.4	-166.9	-56.6	-174	0	0	0	113.8	P99 R100 D223 E226 W228 N238 V243 Y268	P99-L206 HydrophobicContact CB-CD1 4.08Å; P99-L206 HydrophobicContact CB-CD2 3.59Å; P99-L206 HydrophobicContact CB-CG 3.94Å; R100-L206 PolarHBondContact O-N 2.85Å; L206-D223 WeakPolarHBondContact O-CB 3.19Å; L206-D223 PolarHBondContact O-N 3.04Å; L206-E226 HydrophobicContact CD2-CG 3.9Å; L206-E226 VanDerWaalsContact CD2-OE1 3.27Å; L206-E226 WeakPolarHBondContact CD2-OE1 3.38Å; L206-E226 WeakPolarHBondContact CD2-OE2 3.49Å; L206-W228 HydrophobicContact CB-CH2 4.23Å; L206-W228 WeakPolarHBondContact O-CZ2 3.39Å; L206-N238 HydrophobicContact CD1-CB 4.19Å; L206-N238 HydrophobicContact CD2-CB 4.49Å; L206-N238 VanDerWaalsContact CD2-ND2 3.26Å; L206-N238 WeakPolarHBondContact CD2-ND2 3.28Å; L206-V243 HydrophobicContact CB-CG1 4.4Å; L206-V243 HydrophobicContact CD1-CG2 3.79Å; L206-Y268 HydrophobicContact CD1-CD2 3.71Å; L206-Y268 HydrophobicContact CD1-CG 3.69Å
207	A	93.8	Very high	79.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	168	-171.4	0	0	0	0	0	109.6	G102 H221 F222 V243 E247	G102-A207 PolarHBondContact N-O 2.84Å; A207-H221 CarbonylContact C-O 3.57Å; A207-H221 WeakPolarHBondContact CA-O 3.38Å; A207-H221 WeakPolarHBondContact CB-O 3.35Å; A207-F222 HydrophobicContact CB-CD1 3.84Å; A207-F222 HydrophobicContact CB-CE1 4.32Å; A207-F222 HydrophobicContact CB-CG 4.39Å; A207-V243 HydrophobicContact CB-CG1 3.65Å; A207-E247 HydrophobicContact CB-CG 3.58Å
208	H	88.9	Confident	80.5	Confident	8 Å²	8	37.5 Å²	37.5	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.3	165.1	58.6	-105.6	0	0	0	110.8	V103 H193 D195 S197 F199 F205 H221 E247	V103-H208 HydrophobicContact CG2-CB 4.14Å; H193-H208 AromaticContact CE1-CE1 3.6Å; H193-H208 AromaticContact NE2-CE1 3.28Å; H193-H208 PolarHBondContact NE2-CE1 3.29Å; H193-H208 VanDerWaalsContact NE2-CE1 3.28Å; H193-H208 AromaticContact NE2-NE2 3.54Å; D195-H208 IonicContact OD2-CD2 2.85Å; D195-H208 IonicContact OD2-CE1 3.06Å; D195-H208 IonicContact OD2-NE2 2.81Å; D195-H208 PolarHBondContact OD2-NE2 3.25Å; S197-H208 PolarHBondContact O-CE1 3.4Å; S197-H208 VanDerWaalsContact O-CE1 3.3Å; F199-H208 AromaticContact CE1-ND1 3.76Å; F199-H208 AromaticContact CZ-CE1 3.87Å; F199-H208 AromaticContact CZ-ND1 3.91Å; F205-H208 AromaticContact CE2-ND1 3.66Å; H208-H221 PolarHBondContact N-O 2.81Å; H208-H221 AromaticContact NE2-CG 3.75Å; H208-H221 AromaticContact NE2-ND1 3.23Å; H208-H221 PolarHBondContact NE2-ND1 3.08Å; H208-H221 PolarHBondContact O-N 2.85Å; H208-E247 WeakPolarHBondContact CA-OE2 3.21Å
209	A	91.4	Very high	81.4	Confident	6 Å²	6	35.1 Å²	35.1	5%	0.05	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.8	171.7	0	0	0	0	0	112.4	D219 T220 E247 H250 A251	A209-D219 CarbonylContact C-O 3.57Å; A209-D219 VanDerWaalsContact CA-O 3.28Å; A209-D219 WeakPolarHBondContact CA-O 3.33Å; A209-T220 HydrophobicContact CB-CG2 4.15Å; A209-T220 WeakPolarHBondContact CB-OG1 3.47Å; A209-E247 HydrophobicContact CB-CB 4.01Å; A209-E247 VanDerWaalsContact CB-O 3.25Å; A209-E247 WeakPolarHBondContact CB-O 3.27Å; A209-E247 PolarHBondContact N-OE2 3.24Å; A209-E247 VanDerWaalsContact N-OE2 3.1Å; A209-H250 HydrophobicContact CB-CB 3.93Å; A209-A251 HydrophobicContact CB-CB 4.45Å
210	Y	82.7	Confident	82.3	Confident	48 Å²	48	34.5 Å²	34.5	19%	0.188	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-84.8	143.2	173.1	-72	-83.1	0	0	0	110.7	D195 I216 G218 D219 A251	D195-Y210 HydrophobicContact CB-CE2 4.44Å; D195-Y210 VanDerWaalsContact CB-OH 3.31Å; D195-Y210 WeakPolarHBondContact CB-OH 3.45Å; D195-Y210 PolarHBondContact OD2-OH 3.43Å; Y210-I216 WeakPolarHBondContact CB-O 3.14Å; Y210-I216 HydrophobicContact CD1-CD1 3.95Å; Y210-I216 HydrophobicContact CD1-CG1 4.23Å; Y210-I216 HydrophobicContact CD2-CB 4.48Å; Y210-I216 HydrophobicContact CD2-CD1 4.23Å; Y210-I216 HydrophobicContact CD2-CG1 4.38Å; Y210-I216 HydrophobicContact CE1-CD1 3.6Å; Y210-I216 HydrophobicContact CE1-CG1 4.38Å; Y210-I216 HydrophobicContact CE2-CD1 3.91Å; Y210-I216 HydrophobicContact CG-CD1 4.26Å; Y210-I216 HydrophobicContact CG-CG1 4.24Å; Y210-G218 VanDerWaalsContact O-CA 3.22Å; Y210-G218 WeakPolarHBondContact O-CA 3.4Å; Y210-G218 PolarHBondContact O-N 3.47Å; Y210-D219 HydrophobicContact CD2-CB 4.32Å; Y210-D219 PolarHBondContact N-O 2.98Å; Y210-A251 WeakPolarHBondContact O-CA 3.41Å
211	F	87.9	Confident	83	Confident	36 Å²	36	31.6 Å²	31.6	16%	0.158	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-67.3	159.7	175.4	-61.8	-62.5	0	0	0	112.2	V103 T107 T123 G213 G217 G218 H250 L254 E255	V103-F211 HydrophobicContact CG1-CE2 4.42Å; V103-F211 HydrophobicContact CG1-CZ 3.98Å; T107-F211 HydrophobicContact CG2-CE2 4.32Å; T123-F211 HydrophobicContact CG2-CB 4.48Å; T123-F211 HydrophobicContact CG2-CD1 3.33Å; T123-F211 HydrophobicContact CG2-CD2 3.76Å; T123-F211 HydrophobicContact CG2-CE1 3.25Å; T123-F211 HydrophobicContact CG2-CE2 3.68Å; T123-F211 HydrophobicContact CG2-CG 3.6Å; T123-F211 HydrophobicContact CG2-CZ 3.43Å; T123-F211 VanDerWaalsContact CG2-CZ 3.43Å; F211-G213 PolarHBondContact O-N 3.39Å; F211-G217 CarbonylContact O-C 3.59Å; F211-G217 WeakPolarHBondContact O-CA 3.24Å; F211-G218 PolarHBondContact O-N 3.1Å; F211-G218 VanDerWaalsContact O-N 3.13Å; F211-H250 HydrophobicContact CD1-CB 4.42Å; F211-H250 VanDerWaalsContact CD1-O 3.32Å; F211-H250 WeakPolarHBondContact CD1-O 3.38Å; F211-H250 HydrophobicContact CE1-CB 4.16Å; F211-H250 AromaticContact CE1-ND1 3.74Å; F211-L254 WeakPolarHBondContact CE1-O 3.17Å; F211-E255 HydrophobicContact CE1-CG 4.44Å; F211-E255 HydrophobicContact CZ-CG 4.28Å
212	P	87.7	Confident	84.1	Confident	7 Å²	7	30.9 Å²	30.9	5%	0.045	20%	0.195	C	C	.	.	S	Bend	trans	-51.4	125.1	-179.8	-26.2	30.2	0	0	0	113.5	Q125 W127 A251	Q125-P212 PolarHBondContact OE1-O 3.17Å; W127-P212 HydrophobicContact CD2-CB 3.9Å; W127-P212 HydrophobicContact CE3-CB 4.46Å; W127-P212 HydrophobicContact CG-CB 4.13Å; W127-P212 HydrophobicContact CZ2-CB 4.19Å; P212-A251 WeakPolarHBondContact CG-O 3.21Å
213	G	75.7	Confident	84.7	Confident	23 Å²	23	23.7 Å²	23.7	24%	0.237	16%	0.161	C	C	.	.			trans	179.1	177.3	-178.6	0	0	0	0	0	113.1	F211 G217	F211-G213 PolarHBondContact O-N 3.39Å; G213-G217 WeakPolarHBondContact O-CA 3.26Å
214	P	72.2	Confident	85.5	Confident	129 Å²	129	24 Å²	24	84%	0.838	16%	0.16	S	C	*	.	S	Bend	trans	-73.1	158.4	175.9	31.8	-35.3	0	0	0	111.9	I216 G217	P214-I216 PolarHBondContact O-N 3.49Å; P214-G217 PolarHBondContact O-N 3.15Å
215	G	72.8	Confident	86.1	Confident	61 Å²	61	25.8 Å²	25.8	63%	0.629	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	-121	177.9	0	0	0	0	0	110.7	G217	G215-G217 PolarHBondContact O-N 2.99Å
216	I	69	Low	86.4	Confident	87 Å²	87	25.7 Å²	25.7	45%	0.446	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	1.3	179.4	67.6	176.1	0	0	0	113.8	Y210 P214 G218 D219	Y210-I216 WeakPolarHBondContact CB-O 3.14Å; Y210-I216 HydrophobicContact CD1-CD1 3.95Å; Y210-I216 HydrophobicContact CD1-CG1 4.23Å; Y210-I216 HydrophobicContact CD2-CB 4.48Å; Y210-I216 HydrophobicContact CD2-CD1 4.23Å; Y210-I216 HydrophobicContact CD2-CG1 4.38Å; Y210-I216 HydrophobicContact CE1-CD1 3.6Å; Y210-I216 HydrophobicContact CE1-CG1 4.38Å; Y210-I216 HydrophobicContact CE2-CD1 3.91Å; Y210-I216 HydrophobicContact CG-CD1 4.26Å; Y210-I216 HydrophobicContact CG-CG1 4.24Å; P214-I216 PolarHBondContact O-N 3.49Å; I216-G218 PolarHBondContact O-N 3.41Å; I216-D219 WeakPolarHBondContact CA-OD2 3.34Å; I216-D219 WeakPolarHBondContact O-CB 3.12Å; I216-D219 PolarHBondContact O-N 2.8Å; I216-D219 VanDerWaalsContact O-N 3.07Å
217	G	79.1	Confident	86.3	Confident	7 Å²	7	27.4 Å²	27.4	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	122.9	-179.9	0	0	0	0	0	110.6	W127 D183 F211 G213 P214 G215	W127-G217 VanDerWaalsContact CH2-O 3.3Å; W127-G217 WeakPolarHBondContact CH2-O 3.18Å; D183-G217 VanDerWaalsContact O-O 3.12Å; F211-G217 CarbonylContact O-C 3.59Å; F211-G217 WeakPolarHBondContact O-CA 3.24Å; G213-G217 WeakPolarHBondContact O-CA 3.26Å; P214-G217 PolarHBondContact O-N 3.15Å; G215-G217 PolarHBondContact O-N 2.99Å
218	G	84.1	Confident	86.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-23.2	-172.2	0	0	0	0	0	114.5	I184 Y210 F211 I216 T220 A251	I184-G218 WeakPolarHBondContact CG2-O 3.44Å; Y210-G218 VanDerWaalsContact O-CA 3.22Å; Y210-G218 WeakPolarHBondContact O-CA 3.4Å; Y210-G218 PolarHBondContact O-N 3.47Å; F211-G218 PolarHBondContact O-N 3.1Å; F211-G218 VanDerWaalsContact O-N 3.13Å; I216-G218 PolarHBondContact O-N 3.41Å; G218-T220 PolarHBondContact O-N 3.25Å; G218-T220 PolarHBondContact O-OG1 2.93Å; G218-A251 VanDerWaalsContact O-CB 3.31Å; G218-A251 WeakPolarHBondContact O-CB 3.37Å
219	D	87.2	Confident	86.5	Confident	19 Å²	19	29 Å²	29	10%	0.102	18%	0.184	C	C	.	.			trans	-59.2	138.4	-177.4	-73.1	-9.9	0	0	0	111.2	T185 A209 Y210 I216	T185-D219 WeakPolarHBondContact CA-OD1 3.31Å; T185-D219 WeakPolarHBondContact CB-OD1 3.37Å; T185-D219 PolarHBondContact N-OD1 3.35Å; T185-D219 WeakPolarHBondContact O-CA 3.19Å; T185-D219 PolarHBondContact OG1-OD1 2.89Å; A209-D219 CarbonylContact C-O 3.57Å; A209-D219 VanDerWaalsContact CA-O 3.28Å; A209-D219 WeakPolarHBondContact CA-O 3.33Å; Y210-D219 HydrophobicContact CD2-CB 4.32Å; Y210-D219 PolarHBondContact N-O 2.98Å; I216-D219 WeakPolarHBondContact CA-OD2 3.34Å; I216-D219 WeakPolarHBondContact O-CB 3.12Å; I216-D219 PolarHBondContact O-N 2.8Å; I216-D219 VanDerWaalsContact O-N 3.07Å
220	T	94.9	Very high	86.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.2	-173.8	-60.3	0	0	0	0	109.8	T185 I186 I187 A209 G218 F222 E247	T185-T220 PolarHBondContact O-N 2.95Å; I186-T220 WeakPolarHBondContact CA-O 3.49Å; I187-T220 PolarHBondContact N-O 3.17Å; A209-T220 HydrophobicContact CB-CG2 4.15Å; A209-T220 WeakPolarHBondContact CB-OG1 3.47Å; G218-T220 PolarHBondContact O-N 3.25Å; G218-T220 PolarHBondContact O-OG1 2.93Å; T220-F222 HydrophobicContact CG2-CD2 4.29Å; T220-F222 HydrophobicContact CG2-CE2 3.57Å; T220-F222 HydrophobicContact CG2-CZ 3.8Å; T220-E247 HydrophobicContact CG2-CB 3.5Å; T220-E247 VanDerWaalsContact CG2-CB 3.5Å; T220-E247 HydrophobicContact CG2-CG 4.19Å
221	H	89.8	Confident	86.3	Confident	11 Å²	11	30.5 Å²	30.5	5%	0.051	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.9	-174	-57.7	177.2	0	0	0	109.7	I187 H193 D195 F199 A207 H208	I187-H221 HydrophobicContact CD1-CB 4.43Å; I187-H221 VanDerWaalsContact CD1-CD2 3.44Å; I187-H221 WeakPolarHBondContact CD1-CD2 3.48Å; I187-H221 HydrophobicContact CG1-CB 4.05Å; I187-H221 VanDerWaalsContact CG1-CD2 3.41Å; I187-H221 WeakPolarHBondContact CG1-CD2 3.29Å; I187-H221 WeakPolarHBondContact O-CA 3.2Å; H193-H221 AromaticContact CD2-CE1 3.97Å; H193-H221 AromaticContact CD2-ND1 3.26Å; H193-H221 PolarHBondContact CD2-ND1 3.02Å; H193-H221 VanDerWaalsContact CD2-ND1 3.26Å; H193-H221 AromaticContact NE2-CG 3.89Å; H193-H221 AromaticContact NE2-ND1 3.14Å; H193-H221 PolarHBondContact NE2-ND1 2.88Å; H193-H221 VanDerWaalsContact NE2-ND1 3.14Å; D195-H221 IonicContact OD2-CE1 2.72Å; D195-H221 PolarHBondContact OD2-CE1 3.49Å; D195-H221 IonicContact OD2-ND1 3.87Å; D195-H221 PolarHBondContact OD2-ND1 3.35Å; F199-H221 HydrophobicContact CE2-CB 4.19Å; F199-H221 HydrophobicContact CZ-CB 3.89Å; A207-H221 CarbonylContact C-O 3.57Å; A207-H221 WeakPolarHBondContact CA-O 3.38Å; A207-H221 WeakPolarHBondContact CB-O 3.35Å; H208-H221 PolarHBondContact N-O 2.81Å; H208-H221 AromaticContact NE2-CG 3.75Å; H208-H221 AromaticContact NE2-ND1 3.23Å; H208-H221 PolarHBondContact NE2-ND1 3.08Å; H208-H221 PolarHBondContact O-N 2.85Å
222	F	96.6	Very high	85.4	Confident	1 Å²	1	29 Å²	29	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.9	175.6	-64.1	-90.7	0	0	0	110.1	I152 I186 I187 F188 A189 A207 T220 S224 W228 L240 V243 A244 E247	I152-F222 HydrophobicContact CD1-CE2 4.06Å; I152-F222 HydrophobicContact CD1-CZ 3.97Å; I186-F222 HydrophobicContact CG2-CD2 4.03Å; I186-F222 HydrophobicContact CG2-CE2 3.73Å; I187-F222 PolarHBondContact O-N 3.27Å; F188-F222 WeakPolarHBondContact CA-O 3.31Å; F188-F222 HydrophobicContact CD1-CB 3.53Å; F188-F222 HydrophobicContact CD1-CG 4.26Å; F188-F222 HydrophobicContact CE1-CB 3.63Å; F188-F222 HydrophobicContact CE1-CD2 4.17Å; F188-F222 AromaticContact CE1-CG 3.88Å; F188-F222 HydrophobicContact CE1-CG 3.88Å; F188-F222 HydrophobicContact CE2-CD2 4.3Å; F188-F222 HydrophobicContact CG-CB 4.17Å; F188-F222 HydrophobicContact CZ-CB 4.34Å; F188-F222 HydrophobicContact CZ-CD2 4.03Å; F188-F222 HydrophobicContact CZ-CG 4.19Å; A189-F222 PolarHBondContact N-O 3.45Å; A207-F222 HydrophobicContact CB-CD1 3.84Å; A207-F222 HydrophobicContact CB-CE1 4.32Å; A207-F222 HydrophobicContact CB-CG 4.39Å; T220-F222 HydrophobicContact CG2-CD2 4.29Å; T220-F222 HydrophobicContact CG2-CE2 3.57Å; T220-F222 HydrophobicContact CG2-CZ 3.8Å; F222-S224 PolarHBondContact O-N 3.47Å; F222-W228 HydrophobicContact CB-CH2 4.5Å; F222-W228 HydrophobicContact CB-CZ2 3.89Å; F222-W228 AromaticContact CD1-CH2 3.79Å; F222-W228 HydrophobicContact CD1-CH2 3.79Å; F222-W228 HydrophobicContact CD1-CZ2 4.03Å; F222-W228 HydrophobicContact CD1-CZ3 4.42Å; F222-W228 HydrophobicContact CG-CZ2 4.45Å; F222-L240 HydrophobicContact CD1-CD1 3.84Å; F222-L240 HydrophobicContact CE1-CD1 3.84Å; F222-L240 HydrophobicContact CG-CD1 4.41Å; F222-L240 HydrophobicContact CZ-CD1 4.41Å; F222-V243 HydrophobicContact CD1-CG1 4.15Å; F222-V243 HydrophobicContact CE1-CB 4.34Å; F222-V243 HydrophobicContact CE1-CG1 3.91Å; F222-A244 HydrophobicContact CE1-CB 4.11Å; F222-A244 HydrophobicContact CZ-CB 3.77Å; F222-E247 HydrophobicContact CE1-CG 4.44Å
223	D	94	Very high	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	116.5	176.5	-169	-17.6	0	0	0	110	A189 F199 L206 D225 E226 W228	A189-D223 CarbonylContact O-C 3.59Å; A189-D223 WeakPolarHBondContact O-CA 3.49Å; F199-D223 HydrophobicContact CB-CB 4.35Å; F199-D223 VanDerWaalsContact CB-OD2 3.31Å; F199-D223 WeakPolarHBondContact CB-OD2 3.18Å; F199-D223 HydrophobicContact CD1-CB 3.47Å; F199-D223 VanDerWaalsContact CD1-CB 3.47Å; F199-D223 HydrophobicContact CD2-CB 4.07Å; F199-D223 HydrophobicContact CE1-CB 3.74Å; F199-D223 HydrophobicContact CE2-CB 4.28Å; F199-D223 HydrophobicContact CG-CB 3.7Å; F199-D223 HydrophobicContact CZ-CB 4.16Å; L206-D223 WeakPolarHBondContact O-CB 3.19Å; L206-D223 PolarHBondContact O-N 3.04Å; D223-D225 PolarHBondContact O-N 2.51Å; D223-D225 WeakPolarHBondContact OD1-CB 3.33Å; D223-D225 PolarHBondContact OD1-N 3.19Å; D223-E226 HydrophobicContact CB-CG 3.76Å; D223-E226 PolarHBondContact O-N 3.34Å; D223-W228 WeakPolarHBondContact O-CZ2 3.39Å; D223-W228 PolarHBondContact O-NE1 3.45Å
224	S	93.3	Very high	83.3	Confident	31 Å²	31	38.5 Å²	38.5	22%	0.217	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17	179.5	-66.5	0	0	0	0	113.4	K142 F188 A189 S190 F222 E226	K142-S224 PolarHBondContact NZ-O 3.08Å; F188-S224 WeakPolarHBondContact CB-OG 3.22Å; F188-S224 PolarHBondContact O-OG 3.1Å; A189-S224 WeakPolarHBondContact CA-OG 3.31Å; A189-S224 PolarHBondContact N-OG 2.94Å; A189-S224 PolarHBondContact O-N 3.5Å; S190-S224 WeakPolarHBondContact OG-CB 3.36Å; F222-S224 PolarHBondContact O-N 3.47Å; S224-E226 VanDerWaalsContact C-N 3.34Å
225	D	89.8	Confident	82.9	Confident	61 Å²	61	35.4 Å²	35.4	33%	0.326	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.4	-177.9	-63	-20.2	0	0	0	111.8	K142 S190 D223	K142-D225 PolarHBondContact NZ-O 3.08Å; S190-D225 WeakPolarHBondContact CB-OD1 3.47Å; S190-D225 WeakPolarHBondContact CB-OD2 3.32Å; S190-D225 PolarHBondContact OG-OD1 3.37Å; D223-D225 PolarHBondContact O-N 2.51Å; D223-D225 WeakPolarHBondContact OD1-CB 3.33Å; D223-D225 PolarHBondContact OD1-N 3.19Å
226	E	92.5	Very high	82.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.009	22%	0.217	C	C	.	.	S	Bend	trans	-67.9	143.5	-179.4	-66	-68.4	176.2	0	0	114.2	K142 G203 L206 D223 S224 W228 N238	K142-E226 WeakPolarHBondContact CD-O 3.14Å; K142-E226 WeakPolarHBondContact CE-O 2.98Å; K142-E226 PolarHBondContact NZ-O 3.05Å; G203-E226 VanDerWaalsContact CA-OE1 3.22Å; G203-E226 WeakPolarHBondContact CA-OE1 3.5Å; G203-E226 VanDerWaalsContact N-CD 3.33Å; G203-E226 PolarHBondContact N-OE1 2.86Å; G203-E226 PolarHBondContact N-OE2 3.24Å; L206-E226 HydrophobicContact CD2-CG 3.9Å; L206-E226 VanDerWaalsContact CD2-OE1 3.27Å; L206-E226 WeakPolarHBondContact CD2-OE1 3.38Å; L206-E226 WeakPolarHBondContact CD2-OE2 3.49Å; D223-E226 HydrophobicContact CB-CG 3.76Å; D223-E226 PolarHBondContact O-N 3.34Å; S224-E226 VanDerWaalsContact C-N 3.34Å; E226-W228 HydrophobicContact CB-CD2 4.38Å; E226-W228 HydrophobicContact CB-CZ2 3.93Å; E226-W228 HydrophobicContact CG-CZ2 4.31Å; E226-W228 PolarHBondContact O-N 3.5Å; E226-N238 PolarHBondContact OE2-ND2 2.91Å
227	P	89.9	Confident	83.6	Confident	39 Å²	39	34 Å²	34	25%	0.253	20%	0.2	S	C	.	.			trans	-74.6	75.2	178.1	31.5	-35.8	0	0	0	110.9	T229 G237 N238	P227-T229 PolarHBondContact O-N 3.27Å; P227-G237 VanDerWaalsContact O-CA 3.3Å; P227-G237 WeakPolarHBondContact O-CA 3.43Å; P227-N238 PolarHBondContact O-N 3.32Å
228	W	93.4	Very high	84.1	Confident	6 Å²	6	34.3 Å²	34.3	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.1	179.4	-65	108.8	0	0	0	112.3	T140 K142 V143 L206 F222 D223 E226 N238 L240 V243	T140-W228 HydrophobicContact CG2-CB 4.18Å; T140-W228 HydrophobicContact CG2-CG 4.23Å; K142-W228 HydrophobicContact CB-CB 4.29Å; V143-W228 HydrophobicContact CG2-CB 3.85Å; L206-W228 HydrophobicContact CB-CH2 4.23Å; L206-W228 WeakPolarHBondContact O-CZ2 3.39Å; F222-W228 HydrophobicContact CB-CH2 4.5Å; F222-W228 HydrophobicContact CB-CZ2 3.89Å; F222-W228 AromaticContact CD1-CH2 3.79Å; F222-W228 HydrophobicContact CD1-CH2 3.79Å; F222-W228 HydrophobicContact CD1-CZ2 4.03Å; F222-W228 HydrophobicContact CD1-CZ3 4.42Å; F222-W228 HydrophobicContact CG-CZ2 4.45Å; D223-W228 WeakPolarHBondContact O-CZ2 3.39Å; D223-W228 PolarHBondContact O-NE1 3.45Å; E226-W228 HydrophobicContact CB-CD2 4.38Å; E226-W228 HydrophobicContact CB-CZ2 3.93Å; E226-W228 HydrophobicContact CG-CZ2 4.31Å; E226-W228 PolarHBondContact O-N 3.5Å; W228-N238 WeakPolarHBondContact CA-O 3.23Å; W228-N238 HydrophobicContact CE3-CB 4.22Å; W228-N238 HydrophobicContact CZ3-CB 4.12Å; W228-L240 HydrophobicContact CD2-CD1 4.24Å; W228-L240 HydrophobicContact CE3-CB 3.89Å; W228-L240 HydrophobicContact CE3-CD1 3.89Å; W228-L240 HydrophobicContact CZ3-CD1 4.09Å; W228-V243 HydrophobicContact CH2-CB 4.19Å; W228-V243 HydrophobicContact CH2-CG1 3.99Å; W228-V243 HydrophobicContact CH2-CG2 4.23Å; W228-V243 HydrophobicContact CZ3-CB 3.9Å; W228-V243 HydrophobicContact CZ3-CG1 4.23Å; W228-V243 HydrophobicContact CZ3-CG2 3.79Å
229	T	92.4	Very high	84.6	Confident	34 Å²	34	34.4 Å²	34.4	21%	0.209	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	172.5	177	60.4	0	0	0	0	110.6	P227 N238 D239 L240	P227-T229 PolarHBondContact O-N 3.27Å; T229-N238 PolarHBondContact N-O 3.46Å; T229-N238 PolarHBondContact OG1-O 3.2Å; T229-D239 WeakPolarHBondContact O-CA 3.33Å; T229-L240 PolarHBondContact O-N 2.99Å
230	L	90.1	Very high	85	Confident	61 Å²	61	33.5 Å²	33.5	32%	0.319	20%	0.196	S	C	.	.	S	Bend	trans	-132.2	137.3	169	-69.3	178.2	0	0	0	110	V143 E147 A151 N232 L240 F241	V143-L230 HydrophobicContact CG1-CD1 3.38Å; V143-L230 HydrophobicContact CG1-CG 3.69Å; V143-L230 HydrophobicContact CG2-CG 4.43Å; E147-L230 HydrophobicContact CB-CD1 3.72Å; A151-L230 HydrophobicContact CB-CD1 4.45Å; A151-L230 HydrophobicContact CB-CD2 3.66Å; L230-N232 PolarHBondContact O-N 2.93Å; L230-L240 HydrophobicContact CD2-CB 4.02Å; L230-F241 HydrophobicContact CD2-CB 4.38Å
231	G	80	Confident	85.1	Confident	26 Å²	26	33.5 Å²	33.5	27%	0.268	20%	0.196	S	C	.	.	S	Bend	trans	71.7	-20.9	-177.4	0	0	0	0	0	114.1	P233 D239 Y270	G231-P233 VanDerWaalsContact C-CD 3.44Å; G231-P233 VanDerWaalsContact C-N 3.33Å; G231-P233 VanDerWaalsContact O-N 3.07Å; G231-D239 PolarHBondContact N-OD2 3.24Å; G231-Y270 PolarHBondContact O-OH 3.08Å
232	N	68.1	Low	85.4	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	19%	0.194	C	C	.	.			trans	33.9	55	173.3	-160.1	8.6	0	0	0	114.5	L230 N234 H235 D236 G237 D239 Y270	L230-N232 PolarHBondContact O-N 2.93Å; N232-N234 PolarHBondContact O-N 3.11Å; N232-N234 VanDerWaalsContact O-N 3.11Å; N232-H235 PolarHBondContact O-N 3.12Å; N232-H235 VanDerWaalsContact O-N 3.09Å; N232-H235 PolarHBondContact O-ND1 3.12Å; N232-H235 WeakPolarHBondContact OD1-CA 3.44Å; N232-H235 PolarHBondContact OD1-N 3.42Å; N232-H235 VanDerWaalsContact OD1-N 3.08Å; N232-D236 PolarHBondContact OD1-N 2.98Å; N232-D236 PolarHBondContact OD1-OD1 3.26Å; N232-G237 PolarHBondContact ND2-O 3.37Å; N232-G237 PolarHBondContact OD1-N 2.91Å; N232-D239 HydrophobicContact CB-CB 4.39Å; N232-Y270 HydrophobicContact CB-CD2 3.96Å; N232-Y270 HydrophobicContact CB-CE2 3.67Å
233	P	57.6	Low	85.4	Confident	106 Å²	106	33.3 Å²	33.3	69%	0.688	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.2	-173.3	24.4	-33.3	0	0	0	113	G231	G231-P233 VanDerWaalsContact C-CD 3.44Å; G231-P233 VanDerWaalsContact C-N 3.33Å; G231-P233 VanDerWaalsContact O-N 3.07Å
234	N	62	Low	85.6	Confident	124 Å²	124	33.3 Å²	33.3	66%	0.663	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-2.6	-179.6	-61	-27.4	0	0	0	113.5	N232 D236	N232-N234 PolarHBondContact O-N 3.11Å; N232-N234 VanDerWaalsContact O-N 3.11Å; N234-D236 HydrophobicContact CB-CB 4.32Å; N234-D236 PolarHBondContact O-N 2.77Å
235	H	65.1	Low	85.8	Confident	65 Å²	65	31.8 Å²	31.8	30%	0.301	19%	0.185	S	C	.	.			trans	54.5	29.8	-174.2	-54.9	-55.8	0	0	0	114.6	N232 Y270 G387	N232-H235 PolarHBondContact O-N 3.12Å; N232-H235 VanDerWaalsContact O-N 3.09Å; N232-H235 PolarHBondContact O-ND1 3.12Å; N232-H235 WeakPolarHBondContact OD1-CA 3.44Å; N232-H235 PolarHBondContact OD1-N 3.42Å; N232-H235 VanDerWaalsContact OD1-N 3.08Å; H235-Y270 AromaticContact CE1-CD1 3.28Å; H235-Y270 WeakPolarHBondContact CE1-CD1 3.37Å; H235-Y270 AromaticContact CE1-CE1 3.57Å; H235-Y270 AromaticContact CE1-CG 3.59Å; H235-Y270 AromaticContact ND1-CD1 3.79Å; H235-Y270 AromaticContact ND1-CD2 3.93Å; H235-Y270 AromaticContact ND1-CG 3.58Å; H235-G387 WeakPolarHBondContact CD2-CA 3.17Å; H235-G387 PolarHBondContact CD2-N 2.92Å; H235-G387 WeakPolarHBondContact NE2-CA 3.13Å; H235-G387 PolarHBondContact NE2-N 3.42Å
236	D	72.3	Confident	86.2	Confident	109 Å²	109	29.5 Å²	29.5	58%	0.583	17%	0.172	S	C	*	.			trans	-95.6	3.3	-173.9	56.4	-11.5	0	0	0	114.1	N232 N234	N232-D236 PolarHBondContact OD1-N 2.98Å; N232-D236 PolarHBondContact OD1-OD1 3.26Å; N234-D236 HydrophobicContact CB-CB 4.32Å; N234-D236 PolarHBondContact O-N 2.77Å
237	G	83.8	Confident	86.4	Confident	10 Å²	10	29.5 Å²	29.5	10%	0.103	17%	0.172	C	C	.	.	S	Bend	trans	-154.6	-164.4	172.6	0	0	0	0	0	113.8	P227 N232	P227-G237 VanDerWaalsContact O-CA 3.3Å; P227-G237 WeakPolarHBondContact O-CA 3.43Å; N232-G237 PolarHBondContact ND2-O 3.37Å; N232-G237 PolarHBondContact OD1-N 2.91Å
238	N	90	Very high	86.8	Confident	13 Å²	13	27.8 Å²	27.8	7%	0.07	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.9	177.4	-60.1	-55.1	0	0	0	109.7	L206 E226 P227 W228 T229 L240	L206-N238 HydrophobicContact CD1-CB 4.19Å; L206-N238 HydrophobicContact CD2-CB 4.49Å; L206-N238 VanDerWaalsContact CD2-ND2 3.26Å; L206-N238 WeakPolarHBondContact CD2-ND2 3.28Å; E226-N238 PolarHBondContact OE2-ND2 2.91Å; P227-N238 PolarHBondContact O-N 3.32Å; W228-N238 WeakPolarHBondContact CA-O 3.23Å; W228-N238 HydrophobicContact CE3-CB 4.22Å; W228-N238 HydrophobicContact CZ3-CB 4.12Å; T229-N238 PolarHBondContact N-O 3.46Å; T229-N238 PolarHBondContact OG1-O 3.2Å; N238-L240 PolarHBondContact O-N 3.34Å
239	D	93.6	Very high	87	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	114.4	179	-172.7	-72	0	0	0	110.7	T229 G231 N232 F241 L242 V243 Y268	T229-D239 WeakPolarHBondContact O-CA 3.33Å; G231-D239 PolarHBondContact N-OD2 3.24Å; N232-D239 HydrophobicContact CB-CB 4.39Å; D239-F241 VanDerWaalsContact C-N 3.3Å; D239-F241 PolarHBondContact O-N 3.11Å; D239-F241 WeakPolarHBondContact OD1-CA 3.49Å; D239-F241 VanDerWaalsContact OD1-CB 3.32Å; D239-F241 WeakPolarHBondContact OD1-CB 3.26Å; D239-F241 PolarHBondContact OD1-N 2.74Å; D239-L242 HydrophobicContact CB-CB 4.3Å; D239-L242 HydrophobicContact CB-CD1 4.01Å; D239-L242 HydrophobicContact CB-CG 4.11Å; D239-L242 PolarHBondContact O-N 3.43Å; D239-L242 PolarHBondContact OD1-N 2.93Å; D239-V243 PolarHBondContact O-N 3.45Å; D239-V243 VanDerWaalsContact O-N 3.17Å; D239-Y268 VanDerWaalsContact CB-OH 3.24Å; D239-Y268 WeakPolarHBondContact CB-OH 3.36Å; D239-Y268 PolarHBondContact N-OH 2.92Å
240	L	95.6	Very high	87.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-36	-176	175.6	62.8	0	0	0	112.6	T140 T148 A151 F188 F222 W228 T229 L230 N238 A244	T140-L240 HydrophobicContact CG2-CD2 4.09Å; T148-L240 HydrophobicContact CG2-CD2 4Å; A151-L240 HydrophobicContact CB-CD2 4.38Å; F188-L240 HydrophobicContact CE1-CD1 3.82Å; F188-L240 HydrophobicContact CE1-CD2 4.4Å; F188-L240 HydrophobicContact CZ-CD1 3.87Å; F188-L240 HydrophobicContact CZ-CD2 4.11Å; F222-L240 HydrophobicContact CD1-CD1 3.84Å; F222-L240 HydrophobicContact CE1-CD1 3.84Å; F222-L240 HydrophobicContact CG-CD1 4.41Å; F222-L240 HydrophobicContact CZ-CD1 4.41Å; W228-L240 HydrophobicContact CD2-CD1 4.24Å; W228-L240 HydrophobicContact CE3-CB 3.89Å; W228-L240 HydrophobicContact CE3-CD1 3.89Å; W228-L240 HydrophobicContact CZ3-CD1 4.09Å; T229-L240 PolarHBondContact O-N 2.99Å; L230-L240 HydrophobicContact CD2-CB 4.02Å; N238-L240 PolarHBondContact O-N 3.34Å; L240-A244 WeakPolarHBondContact O-CB 3.48Å; L240-A244 PolarHBondContact O-N 2.63Å
241	F	96.7	Very high	87.4	Confident	1 Å²	1	23 Å²	23	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-44.6	179.2	159.3	-98.9	0	0	0	110.6	A151 R154 A155 V158 L230 D239 A244 V245 T273 F276	A151-F241 HydrophobicContact CB-CB 4.26Å; R154-F241 HydrophobicContact CB-CD2 4.16Å; R154-F241 HydrophobicContact CB-CE2 4.2Å; R154-F241 HydrophobicContact CG-CD2 4Å; R154-F241 HydrophobicContact CG-CE2 3.67Å; R154-F241 VanDerWaalsContact NH2-CZ 3.26Å; A155-F241 HydrophobicContact CB-CD2 4.29Å; A155-F241 HydrophobicContact CB-CE2 4.46Å; V158-F241 HydrophobicContact CG2-CE2 3.9Å; V158-F241 HydrophobicContact CG2-CZ 3.81Å; L230-F241 HydrophobicContact CD2-CB 4.38Å; D239-F241 VanDerWaalsContact C-N 3.3Å; D239-F241 PolarHBondContact O-N 3.11Å; D239-F241 WeakPolarHBondContact OD1-CA 3.49Å; D239-F241 VanDerWaalsContact OD1-CB 3.32Å; D239-F241 WeakPolarHBondContact OD1-CB 3.26Å; D239-F241 PolarHBondContact OD1-N 2.74Å; F241-A244 PolarHBondContact O-N 3.27Å; F241-V245 HydrophobicContact CD2-CG2 4.11Å; F241-V245 HydrophobicContact CE1-CG2 4.33Å; F241-V245 HydrophobicContact CE2-CG2 3.61Å; F241-V245 HydrophobicContact CZ-CG2 3.74Å; F241-V245 VanDerWaalsContact O-CG2 3.31Å; F241-V245 WeakPolarHBondContact O-CG2 3.45Å; F241-V245 PolarHBondContact O-N 3.16Å; F241-T273 HydrophobicContact CD1-CG2 3.93Å; F241-T273 HydrophobicContact CE1-CG2 4.41Å; F241-F276 HydrophobicContact CE1-CB 3.81Å; F241-F276 HydrophobicContact CE1-CD1 4.16Å; F241-F276 HydrophobicContact CE1-CD2 4.03Å; F241-F276 AromaticContact CE1-CG 3.72Å; F241-F276 HydrophobicContact CE1-CG 3.72Å; F241-F276 HydrophobicContact CZ-CB 3.94Å; F241-F276 AromaticContact CZ-CD1 3.83Å; F241-F276 HydrophobicContact CZ-CD1 3.83Å; F241-F276 AromaticContact CZ-CG 3.84Å; F241-F276 HydrophobicContact CZ-CG 3.84Å
242	L	96	Very high	88.2	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-44.8	179.3	-64.9	179.5	0	0	0	112.5	D239 A244 V245 H246 I263 Y268 Y270 M271 T273 F276	D239-L242 HydrophobicContact CB-CB 4.3Å; D239-L242 HydrophobicContact CB-CD1 4.01Å; D239-L242 HydrophobicContact CB-CG 4.11Å; D239-L242 PolarHBondContact O-N 3.43Å; D239-L242 PolarHBondContact OD1-N 2.93Å; L242-A244 VanDerWaalsContact C-N 3.35Å; L242-V245 PolarHBondContact O-N 2.86Å; L242-H246 PolarHBondContact O-N 2.85Å; L242-H246 VanDerWaalsContact O-N 3.14Å; L242-I263 HydrophobicContact CD2-CD1 4.49Å; L242-Y268 HydrophobicContact CB-CE2 4.3Å; L242-Y270 HydrophobicContact CD1-CD2 4Å; L242-Y270 HydrophobicContact CD1-CE2 4.37Å; L242-M271 HydrophobicContact CD1-CB 4.24Å; L242-M271 VanDerWaalsContact CD1-N 3.27Å; L242-M271 HydrophobicContact CD2-CB 3.98Å; L242-T273 HydrophobicContact CD1-CG2 4.25Å; L242-T273 HydrophobicContact CD2-CG2 4.11Å; L242-T273 HydrophobicContact CG-CG2 4.02Å; L242-F276 HydrophobicContact CD2-CD2 3.79Å; L242-F276 HydrophobicContact CD2-CE2 3.7Å
243	V	97	Very high	89.3	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.03	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-42.8	176.7	-178.1	0	0	0	0	110.2	L206 A207 F222 W228 D239 V245 H246 E247 Y268	L206-V243 HydrophobicContact CB-CG1 4.4Å; L206-V243 HydrophobicContact CD1-CG2 3.79Å; A207-V243 HydrophobicContact CB-CG1 3.65Å; F222-V243 HydrophobicContact CD1-CG1 4.15Å; F222-V243 HydrophobicContact CE1-CB 4.34Å; F222-V243 HydrophobicContact CE1-CG1 3.91Å; W228-V243 HydrophobicContact CH2-CB 4.19Å; W228-V243 HydrophobicContact CH2-CG1 3.99Å; W228-V243 HydrophobicContact CH2-CG2 4.23Å; W228-V243 HydrophobicContact CZ3-CB 3.9Å; W228-V243 HydrophobicContact CZ3-CG1 4.23Å; W228-V243 HydrophobicContact CZ3-CG2 3.79Å; D239-V243 PolarHBondContact O-N 3.45Å; D239-V243 VanDerWaalsContact O-N 3.17Å; V243-V245 VanDerWaalsContact C-N 3.33Å; V243-V245 PolarHBondContact O-N 3.19Å; V243-H246 WeakPolarHBondContact O-CB 3.45Å; V243-H246 PolarHBondContact O-N 3.44Å; V243-H246 VanDerWaalsContact O-N 3.11Å; V243-E247 HydrophobicContact CG1-CG 4.02Å; V243-E247 WeakPolarHBondContact O-CG 3.45Å; V243-E247 PolarHBondContact O-N 3.13Å; V243-Y268 HydrophobicContact CG2-CD2 3.71Å; V243-Y268 HydrophobicContact CG2-CE2 3.76Å
244	A	97.9	Very high	91.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-39.3	176.3	0	0	0	0	0	113	I152 A155 F222 L240 F241 L242 H246 L248	I152-A244 HydrophobicContact CD1-CB 3.65Å; A155-A244 HydrophobicContact CB-CB 3.72Å; F222-A244 HydrophobicContact CE1-CB 4.11Å; F222-A244 HydrophobicContact CZ-CB 3.77Å; L240-A244 WeakPolarHBondContact O-CB 3.48Å; L240-A244 PolarHBondContact O-N 2.63Å; F241-A244 PolarHBondContact O-N 3.27Å; L242-A244 VanDerWaalsContact C-N 3.35Å; A244-H246 VanDerWaalsContact C-N 3.32Å; A244-H246 PolarHBondContact O-N 2.93Å; A244-L248 VanDerWaalsContact O-CB 3.24Å; A244-L248 WeakPolarHBondContact O-CB 3.19Å; A244-L248 WeakPolarHBondContact O-CG 3.41Å; A244-L248 PolarHBondContact O-N 3.3Å
245	V	98.1	Very high	92.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.1	-44.8	174.1	174.2	0	0	0	0	110.5	A155 V158 W159 F241 L242 V243 G249 I263 F276 L278	A155-V245 HydrophobicContact CB-CG2 3.72Å; V158-V245 HydrophobicContact CB-CG2 4.34Å; V158-V245 HydrophobicContact CG1-CG1 4.01Å; V158-V245 HydrophobicContact CG1-CG2 4.45Å; V158-V245 HydrophobicContact CG2-CG2 4.13Å; W159-V245 HydrophobicContact CZ2-CG1 4.08Å; W159-V245 VanDerWaalsContact CZ2-O 3.25Å; W159-V245 WeakPolarHBondContact CZ2-O 3.32Å; W159-V245 PolarHBondContact NE1-O 2.65Å; F241-V245 HydrophobicContact CD2-CG2 4.11Å; F241-V245 HydrophobicContact CE1-CG2 4.33Å; F241-V245 HydrophobicContact CE2-CG2 3.61Å; F241-V245 HydrophobicContact CZ-CG2 3.74Å; F241-V245 VanDerWaalsContact O-CG2 3.31Å; F241-V245 WeakPolarHBondContact O-CG2 3.45Å; F241-V245 PolarHBondContact O-N 3.16Å; L242-V245 PolarHBondContact O-N 2.86Å; V243-V245 VanDerWaalsContact C-N 3.33Å; V243-V245 PolarHBondContact O-N 3.19Å; V245-G249 PolarHBondContact O-N 3.09Å; V245-I263 HydrophobicContact CB-CG1 4.28Å; V245-I263 HydrophobicContact CG1-CG1 3.86Å; V245-I263 HydrophobicContact CG1-CG2 4.1Å; V245-F276 HydrophobicContact CG1-CE1 4.1Å; V245-F276 HydrophobicContact CG1-CZ 4.14Å; V245-L278 HydrophobicContact CG1-CD2 4.29Å
246	H	97.8	Very high	93.8	Very high	13 Å²	13	9.7 Å²	9.7	6%	0.06	5%	0.053	C	C	.	.	H	α-helix	trans	-60.5	-55.5	177.6	-179.9	107.3	0	0	0	112.1	C101 L242 V243 A244 L248 G249 H250 H256 I263 M264 A265	C101-H246 WeakPolarHBondContact CB-NE2 3.36Å; C101-H246 PolarHBondContact SG-NE2 2.82Å; L242-H246 PolarHBondContact O-N 2.85Å; L242-H246 VanDerWaalsContact O-N 3.14Å; V243-H246 WeakPolarHBondContact O-CB 3.45Å; V243-H246 PolarHBondContact O-N 3.44Å; V243-H246 VanDerWaalsContact O-N 3.11Å; A244-H246 VanDerWaalsContact C-N 3.32Å; A244-H246 PolarHBondContact O-N 2.93Å; H246-L248 VanDerWaalsContact C-N 3.33Å; H246-L248 PolarHBondContact O-N 3.04Å; H246-G249 WeakPolarHBondContact O-CA 3.24Å; H246-G249 PolarHBondContact O-N 3.42Å; H246-H250 AromaticContact CD2-CD2 3.84Å; H246-H250 AromaticContact CD2-NE2 3.76Å; H246-H250 AromaticContact NE2-CD2 3.76Å; H246-H250 AromaticContact NE2-NE2 3.17Å; H246-H250 PolarHBondContact NE2-NE2 3.37Å; H246-H250 VanDerWaalsContact NE2-NE2 3.17Å; H246-H250 PolarHBondContact O-N 3.32Å; H246-H256 AromaticContact CE1-CD2 3.59Å; H246-H256 AromaticContact CE1-NE2 3.6Å; H246-H256 AromaticContact NE2-CD2 3.55Å; H246-H256 AromaticContact NE2-NE2 3.25Å; H246-H256 PolarHBondContact NE2-NE2 2.92Å; H246-I263 HydrophobicContact CB-CG1 4.35Å; H246-I263 PolarHBondContact ND1-O 3.44Å; H246-M264 VanDerWaalsContact O-SD 3.33Å; H246-A265 PolarHBondContact CE1-O 3.2Å; H246-A265 PolarHBondContact ND1-O 3.28Å
247	E	97.7	Very high	94.7	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.009	3%	0.026	C	C	.	.	H	α-helix	trans	-64.8	-37.8	-175.7	-60.4	-50	144	0	0	112.1	C101 A207 H208 A209 T220 F222 V243 G249 H250 A251	C101-E247 PolarHBondContact SG-OE1 2.84Å; A207-E247 HydrophobicContact CB-CG 3.58Å; H208-E247 WeakPolarHBondContact CA-OE2 3.21Å; A209-E247 HydrophobicContact CB-CB 4.01Å; A209-E247 VanDerWaalsContact CB-O 3.25Å; A209-E247 WeakPolarHBondContact CB-O 3.27Å; A209-E247 PolarHBondContact N-OE2 3.24Å; A209-E247 VanDerWaalsContact N-OE2 3.1Å; T220-E247 HydrophobicContact CG2-CB 3.5Å; T220-E247 VanDerWaalsContact CG2-CB 3.5Å; T220-E247 HydrophobicContact CG2-CG 4.19Å; F222-E247 HydrophobicContact CE1-CG 4.44Å; V243-E247 HydrophobicContact CG1-CG 4.02Å; V243-E247 WeakPolarHBondContact O-CG 3.45Å; V243-E247 PolarHBondContact O-N 3.13Å; E247-G249 PolarHBondContact O-N 3.44Å; E247-H250 WeakPolarHBondContact O-CA 3.46Å; E247-H250 WeakPolarHBondContact O-CB 3.36Å; E247-H250 PolarHBondContact O-N 2.93Å; E247-H250 IonicContact OE2-CD2 2.9Å; E247-A251 PolarHBondContact O-N 2.69Å
248	L	98	Very high	94.8	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-64	-26.9	172.8	-69	177.5	0	0	0	112.1	A155 F156 A244 H246 H250 A251 L252	A155-L248 HydrophobicContact CB-CD1 3.76Å; F156-L248 HydrophobicContact CD1-CD1 3.83Å; F156-L248 HydrophobicContact CD1-CD2 4.36Å; F156-L248 HydrophobicContact CD2-CD1 3.96Å; F156-L248 HydrophobicContact CE1-CD1 3.89Å; F156-L248 HydrophobicContact CE1-CD2 3.59Å; F156-L248 HydrophobicContact CE1-CG 4.34Å; F156-L248 HydrophobicContact CE2-CD1 3.99Å; F156-L248 HydrophobicContact CE2-CD2 4.17Å; F156-L248 HydrophobicContact CG-CD1 3.89Å; F156-L248 HydrophobicContact CZ-CD1 3.97Å; F156-L248 HydrophobicContact CZ-CD2 3.48Å; F156-L248 VanDerWaalsContact CZ-CD2 3.48Å; F156-L248 HydrophobicContact CZ-CG 4.39Å; A244-L248 VanDerWaalsContact O-CB 3.24Å; A244-L248 WeakPolarHBondContact O-CB 3.19Å; A244-L248 WeakPolarHBondContact O-CG 3.41Å; A244-L248 PolarHBondContact O-N 3.3Å; H246-L248 VanDerWaalsContact C-N 3.33Å; H246-L248 PolarHBondContact O-N 3.04Å; L248-H250 VanDerWaalsContact C-N 3.34Å; L248-A251 HydrophobicContact CD2-CB 4.44Å; L248-A251 PolarHBondContact O-N 2.92Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.06Å; L248-L252 PolarHBondContact O-N 3.08Å
249	G	97.2	Very high	94.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.9	-42.4	169.9	0	0	0	0	0	112.2	V245 H246 E247 L252 G253 L254	V245-G249 PolarHBondContact O-N 3.09Å; H246-G249 WeakPolarHBondContact O-CA 3.24Å; H246-G249 PolarHBondContact O-N 3.42Å; E247-G249 PolarHBondContact O-N 3.44Å; G249-L252 CarbonylContact O-C 3.53Å; G249-L252 PolarHBondContact O-N 3.13Å; G249-G253 PolarHBondContact O-N 2.91Å; G249-G253 VanDerWaalsContact O-N 3.13Å; G249-L254 WeakPolarHBondContact O-CB 3.31Å; G249-L254 PolarHBondContact O-N 3.06Å
250	H	95.3	Very high	94	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-46.8	171.1	-68.4	-45.7	0	0	0	112.1	C101 A209 F211 H246 E247 L248 L252 G253 L254 H256 M264	C101-H250 PolarHBondContact SG-NE2 2.94Å; C101-H250 VanDerWaalsContact SG-NE2 3.43Å; A209-H250 HydrophobicContact CB-CB 3.93Å; F211-H250 HydrophobicContact CD1-CB 4.42Å; F211-H250 VanDerWaalsContact CD1-O 3.32Å; F211-H250 WeakPolarHBondContact CD1-O 3.38Å; F211-H250 HydrophobicContact CE1-CB 4.16Å; F211-H250 AromaticContact CE1-ND1 3.74Å; H246-H250 AromaticContact CD2-CD2 3.84Å; H246-H250 AromaticContact CD2-NE2 3.76Å; H246-H250 AromaticContact NE2-CD2 3.76Å; H246-H250 AromaticContact NE2-NE2 3.17Å; H246-H250 PolarHBondContact NE2-NE2 3.37Å; H246-H250 VanDerWaalsContact NE2-NE2 3.17Å; H246-H250 PolarHBondContact O-N 3.32Å; E247-H250 WeakPolarHBondContact O-CA 3.46Å; E247-H250 WeakPolarHBondContact O-CB 3.36Å; E247-H250 PolarHBondContact O-N 2.93Å; E247-H250 IonicContact OE2-CD2 2.9Å; L248-H250 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 2.84Å; H250-G253 WeakPolarHBondContact O-CA 3.45Å; H250-G253 PolarHBondContact O-N 3.13Å; H250-L254 WeakPolarHBondContact CA-O 3.43Å; H250-L254 PolarHBondContact ND1-O 3.36Å; H250-H256 AromaticContact CE1-CD2 3.41Å; H250-H256 PolarHBondContact CE1-CD2 3.14Å; H250-H256 VanDerWaalsContact CE1-CD2 3.41Å; H250-H256 AromaticContact CE1-NE2 3.76Å; H250-H256 AromaticContact NE2-CD2 3.39Å; H250-H256 PolarHBondContact NE2-CD2 3.2Å; H250-H256 AromaticContact NE2-NE2 3.29Å; H250-H256 PolarHBondContact NE2-NE2 3.31Å; H250-M264 WeakPolarHBondContact CE1-CE 3.25Å; H250-M264 VanDerWaalsContact ND1-CE 3.33Å; H250-M264 WeakPolarHBondContact ND1-CE 3.35Å
251	A	95.6	Very high	93.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.3	-18.4	175.5	0	0	0	0	0	113.3	W127 I184 A209 Y210 P212 G218 E247 L248	W127-A251 PolarHBondContact NE1-O 3.17Å; I184-A251 HydrophobicContact CD1-CB 4.01Å; A209-A251 HydrophobicContact CB-CB 4.45Å; Y210-A251 WeakPolarHBondContact O-CA 3.41Å; P212-A251 WeakPolarHBondContact CG-O 3.21Å; G218-A251 VanDerWaalsContact O-CB 3.31Å; G218-A251 WeakPolarHBondContact O-CB 3.37Å; E247-A251 PolarHBondContact O-N 2.69Å; L248-A251 HydrophobicContact CD2-CB 4.44Å; L248-A251 PolarHBondContact O-N 2.92Å
252	L	96.6	Very high	93.1	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-4.8	174.4	-67.4	175.5	0	0	0	114	I132 W159 L165 F167 L248 G249 H250 I286 Y290	I132-L252 HydrophobicContact CD1-CD2 3.68Å; W159-L252 HydrophobicContact CB-CD1 3.63Å; W159-L252 HydrophobicContact CD2-CD1 3.94Å; W159-L252 HydrophobicContact CE3-CD1 4.5Å; W159-L252 HydrophobicContact CG-CD1 3.54Å; L165-L252 HydrophobicContact CD1-CD2 3.67Å; F167-L252 HydrophobicContact CE1-CD2 3.96Å; F167-L252 HydrophobicContact CZ-CD1 4.07Å; F167-L252 HydrophobicContact CZ-CD2 3.93Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.06Å; L248-L252 PolarHBondContact O-N 3.08Å; G249-L252 CarbonylContact O-C 3.53Å; G249-L252 PolarHBondContact O-N 3.13Å; H250-L252 PolarHBondContact O-N 2.84Å; L252-I286 HydrophobicContact CB-CD1 3.86Å; L252-I286 HydrophobicContact CD1-CD1 4.18Å; L252-Y290 HydrophobicContact CB-CE2 4.17Å; L252-Y290 WeakPolarHBondContact O-CE2 3.33Å; L252-Y290 PolarHBondContact O-OH 2.68Å
253	G	92.4	Very high	93	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	6.6	171.8	0	0	0	0	0	116	T123 G249 H250	T123-G253 PolarHBondContact N-O 3.31Å; T123-G253 PolarHBondContact OG1-O 3.09Å; G249-G253 PolarHBondContact O-N 2.91Å; G249-G253 VanDerWaalsContact O-N 3.13Å; H250-G253 WeakPolarHBondContact O-CA 3.45Å; H250-G253 PolarHBondContact O-N 3.13Å
254	L	94.2	Very high	92.9	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.021	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-76.9	136.9	172.3	-62.1	173.1	0	0	0	110.7	L122 W159 F211 G249 H250 M264 G285 I286 I289	L122-L254 HydrophobicContact CD2-CD2 4.03Å; W159-L254 HydrophobicContact CH2-CD1 3.38Å; W159-L254 HydrophobicContact CZ2-CD1 4.23Å; W159-L254 HydrophobicContact CZ3-CD1 3.68Å; F211-L254 WeakPolarHBondContact CE1-O 3.17Å; G249-L254 WeakPolarHBondContact O-CB 3.31Å; G249-L254 PolarHBondContact O-N 3.06Å; H250-L254 WeakPolarHBondContact CA-O 3.43Å; H250-L254 PolarHBondContact ND1-O 3.36Å; L254-M264 HydrophobicContact CB-CE 3.98Å; L254-M264 HydrophobicContact CB-CG 4.13Å; L254-M264 HydrophobicContact CB-SD 4.25Å; L254-M264 HydrophobicContact CD1-CG 3.87Å; L254-M264 HydrophobicContact CD1-SD 4.16Å; L254-G285 VanDerWaalsContact CD2-C 3.49Å; L254-I286 HydrophobicContact CD1-CB 4.23Å; L254-I286 HydrophobicContact CD1-CD1 4.04Å; L254-I286 HydrophobicContact CD2-CB 4.48Å; L254-I286 HydrophobicContact CD2-CD1 4.45Å; L254-I286 HydrophobicContact CG-CD1 4.08Å; L254-I289 HydrophobicContact CD2-CD1 3.83Å; L254-I289 HydrophobicContact CG-CD1 4.3Å
255	E	91.5	Very high	92.6	Very high	35 Å²	35	10.6 Å²	10.6	16%	0.164	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-90.7	171.8	167.6	-67.9	177.5	151	0	0	110.2	T107 A121 L122 T123 F211 S257	T107-E255 PolarHBondContact OG1-OE1 3.48Å; A121-E255 HydrophobicContact CB-CB 3.45Å; A121-E255 VanDerWaalsContact CB-CB 3.45Å; A121-E255 HydrophobicContact CB-CG 4.45Å; A121-E255 PolarHBondContact O-N 3.19Å; L122-E255 PolarHBondContact N-OE2 2.86Å; T123-E255 HydrophobicContact CG2-CG 3.33Å; F211-E255 HydrophobicContact CE1-CG 4.44Å; F211-E255 HydrophobicContact CZ-CG 4.28Å; E255-S257 PolarHBondContact O-N 3.47Å
256	H	93	Very high	92.4	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.028	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-56.8	133.5	173	-77.8	158.1	0	0	0	112.8	F79 C101 V103 D105 A121 H246 H250 M264 P266	F79-H256 HydrophobicContact CZ-CB 4.17Å; C101-H256 WeakPolarHBondContact CB-NE2 3.29Å; C101-H256 PolarHBondContact SG-NE2 3.33Å; C101-H256 VanDerWaalsContact SG-NE2 3.4Å; V103-H256 PolarHBondContact O-CE1 2.98Å; V103-H256 PolarHBondContact O-ND1 2.94Å; D105-H256 IonicContact OD1-CE1 3.74Å; D105-H256 PolarHBondContact OD1-CE1 3.45Å; D105-H256 IonicContact OD1-CG 3.3Å; D105-H256 IonicContact OD1-ND1 3.07Å; D105-H256 PolarHBondContact OD1-ND1 3.4Å; A121-H256 VanDerWaalsContact CB-O 3.26Å; A121-H256 WeakPolarHBondContact CB-O 3.5Å; H246-H256 AromaticContact CE1-CD2 3.59Å; H246-H256 AromaticContact CE1-NE2 3.6Å; H246-H256 AromaticContact NE2-CD2 3.55Å; H246-H256 AromaticContact NE2-NE2 3.25Å; H246-H256 PolarHBondContact NE2-NE2 2.92Å; H250-H256 AromaticContact CE1-CD2 3.41Å; H250-H256 PolarHBondContact CE1-CD2 3.14Å; H250-H256 VanDerWaalsContact CE1-CD2 3.41Å; H250-H256 AromaticContact CE1-NE2 3.76Å; H250-H256 AromaticContact NE2-CD2 3.39Å; H250-H256 PolarHBondContact NE2-CD2 3.2Å; H250-H256 AromaticContact NE2-NE2 3.29Å; H250-H256 PolarHBondContact NE2-NE2 3.31Å; H256-M264 CarbonylContact C-O 3.55Å; H256-M264 VanDerWaalsContact CA-O 3.29Å; H256-M264 WeakPolarHBondContact CA-O 3.49Å; H256-M264 PolarHBondContact CD2-O 3Å; H256-P266 HydrophobicContact CB-CG 3.77Å
257	S	90.9	Very high	92.1	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.028	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-85.6	143.7	172.2	-172.8	0	0	0	0	111	E255 D259 M264 P266 D281	E255-S257 PolarHBondContact O-N 3.47Å; S257-D259 VanDerWaalsContact C-N 3.26Å; S257-D259 WeakPolarHBondContact OG-CB 3.49Å; S257-D259 PolarHBondContact OG-N 2.76Å; S257-M264 PolarHBondContact N-O 2.77Å; S257-P266 WeakPolarHBondContact O-CD 3.17Å; S257-D281 VanDerWaalsContact CB-OD2 3.24Å; S257-D281 WeakPolarHBondContact CB-OD2 3.49Å; S257-D281 PolarHBondContact OG-OD2 3.44Å
258	N	85.5	Confident	91.7	Very high	77 Å²	77	11.4 Å²	11.4	41%	0.412	6%	0.061	S	C	.	.	S	Bend	trans	-86.4	0.3	167.2	68.3	-11.7	0	0	0	112.3	F79 P260	F79-N258 HydrophobicContact CD1-CB 4.41Å; F79-N258 HydrophobicContact CD2-CB 4.23Å; F79-N258 HydrophobicContact CE1-CB 4.26Å; F79-N258 HydrophobicContact CE2-CB 4.07Å; F79-N258 HydrophobicContact CG-CB 4.41Å; F79-N258 HydrophobicContact CZ-CB 4.09Å; N258-P260 WeakPolarHBondContact O-CD 3.05Å
259	D	84.2	Confident	90.9	Very high	25 Å²	25	12.2 Å²	12.2	13%	0.134	6%	0.064	C	C	.	.			trans	-78.7	111.3	169.3	-171.2	-22.2	0	0	0	108.6	S257 T261 A262 D281 K339	S257-D259 VanDerWaalsContact C-N 3.26Å; S257-D259 WeakPolarHBondContact OG-CB 3.49Å; S257-D259 PolarHBondContact OG-N 2.76Å; D259-T261 PolarHBondContact O-N 3.38Å; D259-T261 WeakPolarHBondContact OD1-CB 3.43Å; D259-T261 PolarHBondContact OD1-N 3.28Å; D259-T261 PolarHBondContact OD1-OG1 2.88Å; D259-A262 HydrophobicContact CB-CB 4.1Å; D259-A262 WeakPolarHBondContact O-CB 3.26Å; D259-A262 PolarHBondContact O-N 2.79Å; D259-D281 HydrophobicContact CB-CB 4.39Å; D259-K339 IonicContact OD1-NZ 2.88Å; D259-K339 PolarHBondContact OD1-NZ 3.37Å; D259-K339 WeakPolarHBondContact OD2-CE 3.41Å; D259-K339 IonicContact OD2-NZ 3.81Å; D259-K339 PolarHBondContact OD2-NZ 3.42Å
260	P	82.3	Confident	90.3	Very high	22 Å²	22	14.5 Å²	14.5	14%	0.143	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9	-179.2	28.6	-36.4	0	0	0	112.8	N258 Q269 Y383	N258-P260 WeakPolarHBondContact O-CD 3.05Å; P260-Q269 PolarHBondContact O-NE2 2.7Å; P260-Q269 PolarHBondContact O-OE1 3.45Å; P260-Y383 HydrophobicContact CB-CE1 4.29Å
261	T	82.1	Confident	89.9	Confident	10 Å²	10	15.4 Å²	15.4	6%	0.061	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.5	178	64.6	0	0	0	0	114.5	D259 P279 K339 W364 Q380	D259-T261 PolarHBondContact O-N 3.38Å; D259-T261 WeakPolarHBondContact OD1-CB 3.43Å; D259-T261 PolarHBondContact OD1-N 3.28Å; D259-T261 PolarHBondContact OD1-OG1 2.88Å; T261-P279 WeakPolarHBondContact O-CB 3.45Å; T261-P279 VanDerWaalsContact O-CG 3.26Å; T261-P279 WeakPolarHBondContact O-CG 3.43Å; T261-K339 WeakPolarHBondContact OG1-CE 3.11Å; T261-W364 HydrophobicContact CG2-CH2 3.85Å; T261-W364 HydrophobicContact CG2-CZ3 3.58Å; T261-Q380 HydrophobicContact CG2-CG 3.91Å
262	A	91.5	Very high	89.3	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.008	11%	0.105	C	C	.	.	S	Bend	trans	-74	147.3	174.1	0	0	0	0	0	110.5	D259 M264 A265 D281 D282	D259-A262 HydrophobicContact CB-CB 4.1Å; D259-A262 WeakPolarHBondContact O-CB 3.26Å; D259-A262 PolarHBondContact O-N 2.79Å; A262-M264 PolarHBondContact O-N 3.41Å; A262-A265 VanDerWaalsContact O-CB 3.25Å; A262-A265 WeakPolarHBondContact O-CB 3.19Å; A262-A265 PolarHBondContact O-N 3.04Å; A262-A265 VanDerWaalsContact O-N 3.14Å; A262-D281 HydrophobicContact CB-CB 4.03Å; A262-D282 VanDerWaalsContact CA-OD2 3.27Å; A262-D282 WeakPolarHBondContact CA-OD2 3.37Å; A262-D282 WeakPolarHBondContact CB-OD1 3.48Å
263	I	94.6	Very high	88.9	Confident	12 Å²	12	21.3 Å²	21.3	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.8	169.5	-166.9	62	0	0	0	109.9	W159 L242 V245 H246 A265 M271 F276 L278 D282	W159-I263 HydrophobicContact CH2-CG2 4.37Å; W159-I263 HydrophobicContact CZ2-CG2 4.4Å; L242-I263 HydrophobicContact CD2-CD1 4.49Å; V245-I263 HydrophobicContact CB-CG1 4.28Å; V245-I263 HydrophobicContact CG1-CG1 3.86Å; V245-I263 HydrophobicContact CG1-CG2 4.1Å; H246-I263 HydrophobicContact CB-CG1 4.35Å; H246-I263 PolarHBondContact ND1-O 3.44Å; I263-A265 PolarHBondContact O-N 3.19Å; I263-M271 HydrophobicContact CB-CE 4.45Å; I263-M271 HydrophobicContact CD1-CE 4.1Å; I263-M271 HydrophobicContact CD1-SD 3.9Å; I263-F276 HydrophobicContact CB-CZ 4.4Å; I263-F276 HydrophobicContact CD1-CE2 4.38Å; I263-F276 HydrophobicContact CD1-CZ 4.34Å; I263-F276 HydrophobicContact CG1-CZ 4.25Å; I263-L278 HydrophobicContact CG2-CD2 3.88Å; I263-D282 HydrophobicContact CG2-CB 4.1Å; I263-D282 PolarHBondContact N-OD1 3.25Å; I263-D282 PolarHBondContact N-OD2 3.24Å
264	M	95.1	Very high	88.6	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.02	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	8.5	173	-62.7	-51.3	-57.8	0	0	114.3	W159 H246 H250 L254 H256 S257 A262 D282	W159-M264 HydrophobicContact CZ2-SD 4.4Å; H246-M264 VanDerWaalsContact O-SD 3.33Å; H250-M264 WeakPolarHBondContact CE1-CE 3.25Å; H250-M264 VanDerWaalsContact ND1-CE 3.33Å; H250-M264 WeakPolarHBondContact ND1-CE 3.35Å; L254-M264 HydrophobicContact CB-CE 3.98Å; L254-M264 HydrophobicContact CB-CG 4.13Å; L254-M264 HydrophobicContact CB-SD 4.25Å; L254-M264 HydrophobicContact CD1-CG 3.87Å; L254-M264 HydrophobicContact CD1-SD 4.16Å; H256-M264 CarbonylContact C-O 3.55Å; H256-M264 VanDerWaalsContact CA-O 3.29Å; H256-M264 WeakPolarHBondContact CA-O 3.49Å; H256-M264 PolarHBondContact CD2-O 3Å; S257-M264 PolarHBondContact N-O 2.77Å; A262-M264 PolarHBondContact O-N 3.41Å; M264-D282 VanDerWaalsContact CB-OD1 3.31Å; M264-D282 WeakPolarHBondContact CB-OD1 3.2Å; M264-D282 WeakPolarHBondContact CG-OD1 3.44Å; M264-D282 PolarHBondContact N-OD1 3.27Å
265	A	92.3	Very high	88.2	Confident	5 Å²	5	33.3 Å²	33.3	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-66	138.7	169.6	0	0	0	0	0	110	H246 A262 I263 F267	H246-A265 PolarHBondContact CE1-O 3.2Å; H246-A265 PolarHBondContact ND1-O 3.28Å; A262-A265 VanDerWaalsContact O-CB 3.25Å; A262-A265 WeakPolarHBondContact O-CB 3.19Å; A262-A265 PolarHBondContact O-N 3.04Å; A262-A265 VanDerWaalsContact O-N 3.14Å; I263-A265 PolarHBondContact O-N 3.19Å; A265-F267 PolarHBondContact O-N 3.16Å
266	P	92.7	Very high	88.2	Confident	5 Å²	5	33 Å²	33	3%	0.032	17%	0.168	C	C	.	.	S	Bend	trans	-64.1	-37.1	-170.4	-26.2	34.7	0	0	0	114.7	F79 Y80 R100 C101 D105 H256 S257	F79-P266 HydrophobicContact CE1-CG 3.75Å; Y80-P266 HydrophobicContact CE1-CB 4.28Å; Y80-P266 HydrophobicContact CE1-CG 3.97Å; R100-P266 CarbonylContact C-O 3.58Å; R100-P266 WeakPolarHBondContact CA-O 3.18Å; R100-P266 WeakPolarHBondContact CB-O 3.42Å; C101-P266 PolarHBondContact N-O 2.9Å; D105-P266 WeakPolarHBondContact OD1-CB 3.33Å; D105-P266 WeakPolarHBondContact OD1-CG 3.41Å; H256-P266 HydrophobicContact CB-CG 3.77Å; S257-P266 WeakPolarHBondContact O-CD 3.17Å
267	F	90.9	Very high	88.1	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.035	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-80.2	139.2	-178.9	-69.2	-70.7	0	0	0	111.1	W46 Y80 W95 K98 R100 A265 Q269	W46-F267 HydrophobicContact CZ2-CZ 4.42Å; Y80-F267 AromaticContact CD1-CD2 3.99Å; Y80-F267 HydrophobicContact CD1-CD2 3.99Å; Y80-F267 AromaticContact CD1-CE2 3.5Å; Y80-F267 HydrophobicContact CD1-CE2 3.5Å; Y80-F267 VanDerWaalsContact CD1-CE2 3.5Å; Y80-F267 AromaticContact CD2-CE2 3.53Å; Y80-F267 HydrophobicContact CD2-CE2 3.53Å; Y80-F267 HydrophobicContact CD2-CZ 4.05Å; Y80-F267 HydrophobicContact CE1-CD2 4.18Å; Y80-F267 AromaticContact CE1-CE2 3.57Å; Y80-F267 HydrophobicContact CE1-CE2 3.57Å; Y80-F267 HydrophobicContact CE1-CZ 4.32Å; Y80-F267 AromaticContact CE2-CE2 3.5Å; Y80-F267 HydrophobicContact CE2-CE2 3.5Å; Y80-F267 VanDerWaalsContact CE2-CE2 3.5Å; Y80-F267 AromaticContact CE2-CZ 3.68Å; Y80-F267 HydrophobicContact CE2-CZ 3.68Å; Y80-F267 HydrophobicContact CG-CD2 4.3Å; Y80-F267 AromaticContact CG-CE2 3.53Å; Y80-F267 HydrophobicContact CG-CE2 3.53Å; Y80-F267 HydrophobicContact CG-CZ 4.46Å; Y80-F267 AromaticContact CZ-CE2 3.57Å; Y80-F267 AromaticContact CZ-CZ 3.87Å; W95-F267 AromaticContact CE3-CD2 3.97Å; W95-F267 HydrophobicContact CE3-CD2 3.97Å; W95-F267 AromaticContact CE3-CE2 3.85Å; W95-F267 HydrophobicContact CE3-CE2 3.85Å; W95-F267 HydrophobicContact CE3-CG 4.45Å; W95-F267 HydrophobicContact CE3-CZ 4.28Å; W95-F267 HydrophobicContact CZ3-CD2 4.06Å; W95-F267 HydrophobicContact CZ3-CE2 4.37Å; W95-F267 HydrophobicContact CZ3-CG 4.47Å; W95-F267 WeakPolarHBondContact O-CE1 3.49Å; W95-F267 WeakPolarHBondContact O-CZ 3.43Å; K98-F267 HydrophobicContact CB-CD1 3.7Å; K98-F267 HydrophobicContact CB-CE1 4.04Å; R100-F267 HydrophobicContact CB-CD1 3.77Å; R100-F267 HydrophobicContact CB-CE1 4.18Å; R100-F267 HydrophobicContact CB-CG 4.49Å; A265-F267 PolarHBondContact O-N 3.16Å; F267-Q269 WeakPolarHBondContact O-CG 3.45Å; F267-Q269 PolarHBondContact O-N 3.34Å
268	Y	90	Very high	88.2	Confident	19 Å²	19	41.1 Å²	41.1	8%	0.075	20%	0.204	C	C	.	.			trans	-62.7	129.9	175.2	177.4	-100.9	0	0	0	111.3	P99 L206 D239 L242 V243 R386	P99-Y268 HydrophobicContact CG-CD1 4.44Å; P99-Y268 WeakPolarHBondContact O-CB 3.36Å; P99-Y268 PolarHBondContact O-N 3.03Å; L206-Y268 HydrophobicContact CD1-CD2 3.71Å; L206-Y268 HydrophobicContact CD1-CG 3.69Å; D239-Y268 VanDerWaalsContact CB-OH 3.24Å; D239-Y268 WeakPolarHBondContact CB-OH 3.36Å; D239-Y268 PolarHBondContact N-OH 2.92Å; L242-Y268 HydrophobicContact CB-CE2 4.3Å; V243-Y268 HydrophobicContact CG2-CD2 3.71Å; V243-Y268 HydrophobicContact CG2-CE2 3.76Å; Y268-R386 PolarHBondContact O-NH2 2.69Å; Y268-R386 VanDerWaalsContact O-NH2 3.13Å
269	Q	81.8	Confident	88.5	Confident	18 Å²	18	38.6 Å²	38.6	8%	0.084	19%	0.191	C	C	.	.			trans	-135.5	131.3	178.6	-63.5	175.5	50.9	0	0	109	P260 F267 M271 Y383	P260-Q269 PolarHBondContact O-NE2 2.7Å; P260-Q269 PolarHBondContact O-OE1 3.45Å; F267-Q269 WeakPolarHBondContact O-CG 3.45Å; F267-Q269 PolarHBondContact O-N 3.34Å; Q269-M271 PolarHBondContact O-N 2.9Å; Q269-Y383 HydrophobicContact CG-CD2 3.64Å; Q269-Y383 HydrophobicContact CG-CE2 3.67Å; Q269-Y383 VanDerWaalsContact NE2-CE2 3.32Å
270	Y	84.6	Confident	88.8	Confident	49 Å²	49	42 Å²	42	19%	0.192	21%	0.21	C	C	.	.			trans	-72.1	130.3	171.2	-175.4	-93.7	0	0	0	109.8	G231 N232 H235 L242 T273	G231-Y270 PolarHBondContact O-OH 3.08Å; N232-Y270 HydrophobicContact CB-CD2 3.96Å; N232-Y270 HydrophobicContact CB-CE2 3.67Å; H235-Y270 AromaticContact CE1-CD1 3.28Å; H235-Y270 WeakPolarHBondContact CE1-CD1 3.37Å; H235-Y270 AromaticContact CE1-CE1 3.57Å; H235-Y270 AromaticContact CE1-CG 3.59Å; H235-Y270 AromaticContact ND1-CD1 3.79Å; H235-Y270 AromaticContact ND1-CD2 3.93Å; H235-Y270 AromaticContact ND1-CG 3.58Å; L242-Y270 HydrophobicContact CD1-CD2 4Å; L242-Y270 HydrophobicContact CD1-CE2 4.37Å; Y270-T273 HydrophobicContact CE2-CG2 4.36Å
271	M	85.5	Confident	89.3	Confident	18 Å²	18	42 Å²	42	9%	0.089	21%	0.209	C	C	.	.			trans	-122.4	150.9	171.5	-59.3	-171.3	178.7	0	0	108.3	L242 I263 Q269 T273 F276 P279	L242-M271 HydrophobicContact CD1-CB 4.24Å; L242-M271 VanDerWaalsContact CD1-N 3.27Å; L242-M271 HydrophobicContact CD2-CB 3.98Å; I263-M271 HydrophobicContact CB-CE 4.45Å; I263-M271 HydrophobicContact CD1-CE 4.1Å; I263-M271 HydrophobicContact CD1-SD 3.9Å; Q269-M271 PolarHBondContact O-N 2.9Å; M271-T273 PolarHBondContact O-N 2.92Å; M271-T273 VanDerWaalsContact O-N 3.15Å; M271-F276 HydrophobicContact CB-CD2 4.29Å; M271-F276 HydrophobicContact CB-CE2 4.14Å; M271-F276 HydrophobicContact SD-CE2 3.76Å; M271-F276 HydrophobicContact SD-CZ 4.48Å; M271-P279 HydrophobicContact CE-CG 4.33Å; M271-P279 HydrophobicContact SD-CG 4.37Å
272	E	83.7	Confident	89.9	Confident	121 Å²	121	41.7 Å²	41.7	57%	0.565	21%	0.207	S	C	*	.			trans	-59.3	121.5	176.4	-174.8	178.6	-171.4	0	0	110.1
273	T	88.8	Confident	90.1	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.025	22%	0.218	C	C	.	.			trans	-85.3	-45.4	-173.9	58.5	0	0	0	0	111.2	R154 F241 L242 Y270 M271 N275 F276	R154-T273 PolarHBondContact NH2-O 3.31Å; F241-T273 HydrophobicContact CD1-CG2 3.93Å; F241-T273 HydrophobicContact CE1-CG2 4.41Å; L242-T273 HydrophobicContact CD1-CG2 4.25Å; L242-T273 HydrophobicContact CD2-CG2 4.11Å; L242-T273 HydrophobicContact CG-CG2 4.02Å; Y270-T273 HydrophobicContact CE2-CG2 4.36Å; M271-T273 PolarHBondContact O-N 2.92Å; M271-T273 VanDerWaalsContact O-N 3.15Å; T273-N275 VanDerWaalsContact C-N 3.28Å; T273-N275 PolarHBondContact O-N 3.17Å; T273-F276 WeakPolarHBondContact O-CB 3.5Å; T273-F276 PolarHBondContact O-N 2.91Å
274	D	85.1	Confident	90	Very high	133 Å²	133	46.3 Å²	46.3	71%	0.711	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-42.2	-171	-69.7	-23.5	0	0	0	115.2
275	N	86.1	Confident	89.9	Confident	124 Å²	124	46.2 Å²	46.2	66%	0.663	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	36.3	177.8	-67.6	-54.4	0	0	0	112.6	T273 K277	T273-N275 VanDerWaalsContact C-N 3.28Å; T273-N275 PolarHBondContact O-N 3.17Å; N275-K277 PolarHBondContact O-N 2.84Å
276	F	91.5	Very high	90.1	Very high	28 Å²	28	46 Å²	46	12%	0.123	23%	0.227	C	C	.	.			trans	-52.2	130	-176.4	-176.8	-91.2	0	0	0	112.1	V158 F241 L242 V245 I263 M271 T273 L278	V158-F276 HydrophobicContact CG1-CD1 4.21Å; V158-F276 HydrophobicContact CG1-CE1 3.78Å; V158-F276 HydrophobicContact CG2-CD1 3.88Å; V158-F276 HydrophobicContact CG2-CE1 4.21Å; F241-F276 HydrophobicContact CE1-CB 3.81Å; F241-F276 HydrophobicContact CE1-CD1 4.16Å; F241-F276 HydrophobicContact CE1-CD2 4.03Å; F241-F276 AromaticContact CE1-CG 3.72Å; F241-F276 HydrophobicContact CE1-CG 3.72Å; F241-F276 HydrophobicContact CZ-CB 3.94Å; F241-F276 AromaticContact CZ-CD1 3.83Å; F241-F276 HydrophobicContact CZ-CD1 3.83Å; F241-F276 AromaticContact CZ-CG 3.84Å; F241-F276 HydrophobicContact CZ-CG 3.84Å; L242-F276 HydrophobicContact CD2-CD2 3.79Å; L242-F276 HydrophobicContact CD2-CE2 3.7Å; V245-F276 HydrophobicContact CG1-CE1 4.1Å; V245-F276 HydrophobicContact CG1-CZ 4.14Å; I263-F276 HydrophobicContact CB-CZ 4.4Å; I263-F276 HydrophobicContact CD1-CE2 4.38Å; I263-F276 HydrophobicContact CD1-CZ 4.34Å; I263-F276 HydrophobicContact CG1-CZ 4.25Å; M271-F276 HydrophobicContact CB-CD2 4.29Å; M271-F276 HydrophobicContact CB-CE2 4.14Å; M271-F276 HydrophobicContact SD-CE2 3.76Å; M271-F276 HydrophobicContact SD-CZ 4.48Å; T273-F276 WeakPolarHBondContact O-CB 3.5Å; T273-F276 PolarHBondContact O-N 2.91Å; F276-L278 HydrophobicContact CE1-CD2 4.27Å; F276-L278 HydrophobicContact CE1-CG 4.44Å
277	K	90.9	Very high	90.3	Very high	158 Å²	158	48.7 Å²	48.7	69%	0.687	24%	0.239	S	C	*	.			trans	-128.2	139.7	172.5	-67.7	-178.2	-176.6	178.9	0	108.7	N275 P279	N275-K277 PolarHBondContact O-N 2.84Å; K277-P279 WeakPolarHBondContact O-CD 3.48Å
278	L	93.3	Very high	90.4	Very high	23 Å²	23	54.6 Å²	54.6	12%	0.12	27%	0.265	C	S	.	.			trans	-57.8	127.6	174	-80.4	167.5	0	0	0	110.2	V158 W159 V162 V245 I263 F276 D282	V158-L278 HydrophobicContact CG1-CD1 3.76Å; V158-L278 HydrophobicContact CG1-CD2 3.74Å; V158-L278 HydrophobicContact CG1-CG 3.5Å; V158-L278 VanDerWaalsContact CG1-CG 3.5Å; W159-L278 HydrophobicContact CE3-CD1 3.8Å; W159-L278 HydrophobicContact CE3-CD2 4.35Å; W159-L278 HydrophobicContact CH2-CD2 3.77Å; W159-L278 HydrophobicContact CZ2-CD2 4.19Å; W159-L278 HydrophobicContact CZ3-CD1 3.83Å; W159-L278 HydrophobicContact CZ3-CD2 3.85Å; V162-L278 HydrophobicContact CB-CD1 4.45Å; V162-L278 HydrophobicContact CG1-CD1 4.19Å; V162-L278 HydrophobicContact CG2-CD1 3.49Å; V162-L278 VanDerWaalsContact CG2-CD1 3.49Å; V245-L278 HydrophobicContact CG1-CD2 4.29Å; I263-L278 HydrophobicContact CG2-CD2 3.88Å; F276-L278 HydrophobicContact CE1-CD2 4.27Å; F276-L278 HydrophobicContact CE1-CG 4.44Å; L278-D282 HydrophobicContact CD2-CB 4.08Å
279	P	92	Very high	90.5	Very high	23 Å²	23	55 Å²	55	15%	0.149	27%	0.268	C	S	.	.			trans	-56.7	152.9	168.7	-21	30.9	0	0	0	111.2	T261 M271 K277 D281 D282 L283	T261-P279 WeakPolarHBondContact O-CB 3.45Å; T261-P279 VanDerWaalsContact O-CG 3.26Å; T261-P279 WeakPolarHBondContact O-CG 3.43Å; M271-P279 HydrophobicContact CE-CG 4.33Å; M271-P279 HydrophobicContact SD-CG 4.37Å; K277-P279 WeakPolarHBondContact O-CD 3.48Å; P279-D281 PolarHBondContact O-N 3.39Å; P279-D282 VanDerWaalsContact CB-OD2 3.24Å; P279-D282 WeakPolarHBondContact CB-OD2 3.37Å; P279-D282 VanDerWaalsContact CD-OD2 3.26Å; P279-D282 WeakPolarHBondContact CD-OD2 3.44Å; P279-D282 VanDerWaalsContact CG-OD2 3.31Å; P279-D282 WeakPolarHBondContact CG-OD2 3.26Å; P279-D282 PolarHBondContact O-N 3.38Å; P279-L283 PolarHBondContact O-N 3.4Å
280	N	90.9	Very high	91.2	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-23.3	-170.7	179.3	70	0	0	0	113.6	Q284	N280-Q284 PolarHBondContact ND2-NE2 2.84Å; N280-Q284 WeakPolarHBondContact O-CB 3.45Å; N280-Q284 WeakPolarHBondContact O-CG 3.46Å; N280-Q284 PolarHBondContact O-N 3.3Å; N280-Q284 PolarHBondContact O-NE2 2.98Å
281	D	91.2	Very high	91.7	Very high	23 Å²	23	54.3 Å²	54.3	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-51.7	174	-167	66.1	0	0	0	110.9	S257 D259 A262 P279 Q284 G285	S257-D281 VanDerWaalsContact CB-OD2 3.24Å; S257-D281 WeakPolarHBondContact CB-OD2 3.49Å; S257-D281 PolarHBondContact OG-OD2 3.44Å; D259-D281 HydrophobicContact CB-CB 4.39Å; A262-D281 HydrophobicContact CB-CB 4.03Å; P279-D281 PolarHBondContact O-N 3.39Å; D281-Q284 PolarHBondContact O-N 2.9Å; D281-G285 PolarHBondContact O-N 3.5Å
282	D	95	Very high	92.1	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-41.8	179.8	-47.8	-73.8	0	0	0	111.8	W159 A262 I263 M264 L278 P279 Q284 G285 I286	W159-D282 HydrophobicContact CH2-CB 4.3Å; A262-D282 VanDerWaalsContact CA-OD2 3.27Å; A262-D282 WeakPolarHBondContact CA-OD2 3.37Å; A262-D282 WeakPolarHBondContact CB-OD1 3.48Å; I263-D282 HydrophobicContact CG2-CB 4.1Å; I263-D282 PolarHBondContact N-OD1 3.25Å; I263-D282 PolarHBondContact N-OD2 3.24Å; M264-D282 VanDerWaalsContact CB-OD1 3.31Å; M264-D282 WeakPolarHBondContact CB-OD1 3.2Å; M264-D282 WeakPolarHBondContact CG-OD1 3.44Å; M264-D282 PolarHBondContact N-OD1 3.27Å; L278-D282 HydrophobicContact CD2-CB 4.08Å; P279-D282 VanDerWaalsContact CB-OD2 3.24Å; P279-D282 WeakPolarHBondContact CB-OD2 3.37Å; P279-D282 VanDerWaalsContact CD-OD2 3.26Å; P279-D282 WeakPolarHBondContact CD-OD2 3.44Å; P279-D282 VanDerWaalsContact CG-OD2 3.31Å; P279-D282 WeakPolarHBondContact CG-OD2 3.26Å; P279-D282 PolarHBondContact O-N 3.38Å; D282-Q284 VanDerWaalsContact C-N 3.34Å; D282-Q284 PolarHBondContact O-N 2.91Å; D282-G285 PolarHBondContact O-N 2.92Å; D282-I286 WeakPolarHBondContact O-CG2 3.31Å; D282-I286 PolarHBondContact O-N 2.74Å
283	L	95.2	Very high	92.4	Very high	47 Å²	47	53.5 Å²	53.5	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-46.9	175.6	179.6	65.1	0	0	0	111.5	V162 P279 I286 Q287	V162-L283 HydrophobicContact CB-CD1 3.66Å; V162-L283 HydrophobicContact CG1-CD1 3.79Å; V162-L283 HydrophobicContact CG2-CD1 4.13Å; P279-L283 PolarHBondContact O-N 3.4Å; L283-I286 WeakPolarHBondContact O-CG2 3.39Å; L283-Q287 HydrophobicContact CD1-CG 4.3Å; L283-Q287 VanDerWaalsContact O-CB 3.29Å; L283-Q287 WeakPolarHBondContact O-CB 3.28Å; L283-Q287 VanDerWaalsContact O-CG 3.26Å; L283-Q287 WeakPolarHBondContact O-CG 3.44Å; L283-Q287 PolarHBondContact O-N 3.09Å; L283-Q287 VanDerWaalsContact O-N 3.12Å
284	Q	93.7	Very high	92	Very high	63 Å²	63	59 Å²	59	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-40.4	177.2	-78.2	174.7	86.5	0	0	111.7	Y120 N280 D281 D282 K288	Y120-Q284 HydrophobicContact CD1-CB 4.45Å; N280-Q284 PolarHBondContact ND2-NE2 2.84Å; N280-Q284 WeakPolarHBondContact O-CB 3.45Å; N280-Q284 WeakPolarHBondContact O-CG 3.46Å; N280-Q284 PolarHBondContact O-N 3.3Å; N280-Q284 PolarHBondContact O-NE2 2.98Å; D281-Q284 PolarHBondContact O-N 2.9Å; D282-Q284 VanDerWaalsContact C-N 3.34Å; D282-Q284 PolarHBondContact O-N 2.91Å; Q284-K288 WeakPolarHBondContact O-CB 3.38Å; Q284-K288 PolarHBondContact O-N 3.03Å
285	G	93.7	Very high	91.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-53.1	177.6	0	0	0	0	0	111.5	L254 D281 D282 K288 I289	L254-G285 VanDerWaalsContact CD2-C 3.49Å; D281-G285 PolarHBondContact O-N 3.5Å; D282-G285 PolarHBondContact O-N 2.92Å; G285-K288 VanDerWaalsContact O-CB 3.31Å; G285-K288 WeakPolarHBondContact O-CB 3.44Å; G285-K288 PolarHBondContact O-N 2.56Å; G285-I289 PolarHBondContact O-N 3.46Å
286	I	96	Very high	89.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.9	-39.1	-175.8	-162	69.3	0	0	0	112.2	W159 V162 T163 L252 L254 D282 L283 K288 I289 Y290	W159-I286 HydrophobicContact CE3-CB 4.06Å; W159-I286 HydrophobicContact CE3-CD1 4.15Å; W159-I286 HydrophobicContact CE3-CG1 3.78Å; W159-I286 HydrophobicContact CE3-CG2 4.1Å; W159-I286 HydrophobicContact CZ3-CB 3.76Å; W159-I286 HydrophobicContact CZ3-CD1 4.26Å; W159-I286 HydrophobicContact CZ3-CG1 3.96Å; W159-I286 HydrophobicContact CZ3-CG2 3.93Å; V162-I286 HydrophobicContact CG2-CG2 3.91Å; T163-I286 HydrophobicContact CG2-CB 4.41Å; T163-I286 HydrophobicContact CG2-CG1 3.51Å; T163-I286 HydrophobicContact CG2-CG2 4.08Å; L252-I286 HydrophobicContact CB-CD1 3.86Å; L252-I286 HydrophobicContact CD1-CD1 4.18Å; L254-I286 HydrophobicContact CD1-CB 4.23Å; L254-I286 HydrophobicContact CD1-CD1 4.04Å; L254-I286 HydrophobicContact CD2-CB 4.48Å; L254-I286 HydrophobicContact CD2-CD1 4.45Å; L254-I286 HydrophobicContact CG-CD1 4.08Å; D282-I286 WeakPolarHBondContact O-CG2 3.31Å; D282-I286 PolarHBondContact O-N 2.74Å; L283-I286 WeakPolarHBondContact O-CG2 3.39Å; I286-K288 PolarHBondContact O-N 3.44Å; I286-I289 HydrophobicContact CD1-CD1 4.46Å; I286-I289 PolarHBondContact O-N 3.21Å; I286-Y290 HydrophobicContact CD1-CD2 3.76Å; I286-Y290 HydrophobicContact CD1-CE2 3.77Å; I286-Y290 HydrophobicContact CG1-CD2 4.07Å; I286-Y290 PolarHBondContact O-N 2.98Å
287	Q	95.4	Very high	87.4	Confident	63 Å²	63	65.8 Å²	65.8	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-70.3	-20.4	176.2	-70.5	-175.9	-14.8	0	0	112.3	V162 L283 I289 G291	V162-Q287 WeakPolarHBondContact O-CG 3.43Å; V162-Q287 PolarHBondContact O-NE2 2.86Å; L283-Q287 HydrophobicContact CD1-CG 4.3Å; L283-Q287 VanDerWaalsContact O-CB 3.29Å; L283-Q287 WeakPolarHBondContact O-CB 3.28Å; L283-Q287 VanDerWaalsContact O-CG 3.26Å; L283-Q287 WeakPolarHBondContact O-CG 3.44Å; L283-Q287 PolarHBondContact O-N 3.09Å; L283-Q287 VanDerWaalsContact O-N 3.12Å; Q287-I289 VanDerWaalsContact C-N 3.31Å; Q287-G291 WeakPolarHBondContact O-CA 3.4Å; Q287-G291 PolarHBondContact O-N 3.03Å
288	K	93.7	Very high	84.9	Confident	132 Å²	132	63.5 Å²	63.5	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-68.8	-32.5	169.2	-173.2	65.3	171.4	176.1	0	112.1	Y120 L122 Q284 G285 I286	Y120-K288 HydrophobicContact CE2-CB 3.99Å; Y120-K288 HydrophobicContact CE2-CD 4.47Å; Y120-K288 HydrophobicContact CE2-CG 3.62Å; Y120-K288 VanDerWaalsContact OH-CD 3.25Å; Y120-K288 WeakPolarHBondContact OH-CD 3.4Å; Y120-K288 WeakPolarHBondContact OH-CE 3.21Å; Y120-K288 WeakPolarHBondContact OH-CG 3.26Å; L122-K288 HydrophobicContact CD1-CB 4.41Å; L122-K288 HydrophobicContact CD1-CG 3.87Å; Q284-K288 WeakPolarHBondContact O-CB 3.38Å; Q284-K288 PolarHBondContact O-N 3.03Å; G285-K288 VanDerWaalsContact O-CB 3.31Å; G285-K288 WeakPolarHBondContact O-CB 3.44Å; G285-K288 PolarHBondContact O-N 2.56Å; I286-K288 PolarHBondContact O-N 3.44Å
289	I	93.4	Very high	82.4	Confident	26 Å²	26	68.3 Å²	68.3	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-79.4	-52.8	179	-54.9	176.1	0	0	0	110.8	L122 K126 L254 G285 I286 Q287	L122-I289 HydrophobicContact CD1-CG1 4.47Å; L122-I289 HydrophobicContact CD2-CD1 3.72Å; L122-I289 HydrophobicContact CD2-CG1 3.6Å; K126-I289 HydrophobicContact CB-CG2 3.57Å; K126-I289 HydrophobicContact CD-CG2 4.22Å; L254-I289 HydrophobicContact CD2-CD1 3.83Å; L254-I289 HydrophobicContact CG-CD1 4.3Å; G285-I289 PolarHBondContact O-N 3.46Å; I286-I289 HydrophobicContact CD1-CD1 4.46Å; I286-I289 PolarHBondContact O-N 3.21Å; Q287-I289 VanDerWaalsContact C-N 3.31Å
290	Y	95.9	Very high	79.9	Confident	33 Å²	33	73.9 Å²	73.9	13%	0.129	41%	0.407	C	S	.	.	H	α-helix	trans	-110.2	-14	-167.9	-60.9	-72.8	0	0	0	114.8	K126 W127 P164 L165 L252 I286	K126-Y290 HydrophobicContact CB-CE1 4.19Å; W127-Y290 HydrophobicContact CB-CE1 4.37Å; W127-Y290 PolarHBondContact N-OH 2.81Å; P164-Y290 WeakPolarHBondContact CD-O 3.45Å; P164-Y290 WeakPolarHBondContact CG-O 3.41Å; L165-Y290 HydrophobicContact CD1-CD1 4.01Å; L165-Y290 HydrophobicContact CD1-CD2 3.74Å; L165-Y290 HydrophobicContact CD1-CE1 4.06Å; L165-Y290 HydrophobicContact CD1-CE2 3.8Å; L165-Y290 HydrophobicContact CD1-CG 3.86Å; L165-Y290 HydrophobicContact CD2-CD1 3.72Å; L165-Y290 HydrophobicContact CD2-CE1 3.97Å; L165-Y290 HydrophobicContact CD2-CG 4.22Å; L165-Y290 HydrophobicContact CG-CD1 4.08Å; L165-Y290 HydrophobicContact CG-CD2 4.43Å; L165-Y290 HydrophobicContact CG-CE1 4.47Å; L165-Y290 HydrophobicContact CG-CG 4.07Å; L252-Y290 HydrophobicContact CB-CE2 4.17Å; L252-Y290 WeakPolarHBondContact O-CE2 3.33Å; L252-Y290 PolarHBondContact O-OH 2.68Å; I286-Y290 HydrophobicContact CD1-CD2 3.76Å; I286-Y290 HydrophobicContact CD1-CE2 3.77Å; I286-Y290 HydrophobicContact CG1-CD2 4.07Å; I286-Y290 PolarHBondContact O-N 2.98Å
291	G	93.7	Very high	77.3	Confident	21 Å²	21	80.3 Å²	80.3	22%	0.216	42%	0.424	C	S	.	.			trans	82.9	172.3	-170.8	0	0	0	0	0	113.5	P164 Q287	P164-G291 VanDerWaalsContact CD-O 3.26Å; P164-G291 WeakPolarHBondContact CD-O 3.36Å; Q287-G291 WeakPolarHBondContact O-CA 3.4Å; Q287-G291 PolarHBondContact O-N 3.03Å
292	P	93.9	Very high	74.8	Confident	82 Å²	82	84.5 Å²	84.5	53%	0.532	45%	0.452	S	S	.	.	S	Bend	trans	-72.5	166.7	173.1	32.5	-35.6	0	0	0	111.9
293	P	91.2	Very high	72.2	Confident	40 Å²	40	91.5 Å²	91.5	26%	0.26	49%	0.489	S	S	.	.			trans	-59.4	141.2	178.9	-21	32.3	0	0	0	112.8	N161 V162 K295	N161-P293 WeakPolarHBondContact O-CG 3.12Å; V162-P293 WeakPolarHBondContact O-CD 3.44Å; P293-K295 PolarHBondContact O-N 3.15Å; P293-K295 VanDerWaalsContact O-N 3.11Å
294	D	80.4	Confident	69.6	Low	119 Å²	119	95.2 Å²	95.2	64%	0.636	52%	0.515	S	S	*	.	S	Bend	trans	-65.6	-13.7	-179.8	-68.9	-37.9	0	0	0	112.8	K130 P164	K130-D294 IonicContact NZ-OD1 3.21Å; K130-D294 IonicContact NZ-OD2 2.6Å; K130-D294 PolarHBondContact NZ-OD2 3.04Å; P164-D294 WeakPolarHBondContact CB-OD2 3.37Å
295	K	66.2	Low	67.4	Low	178 Å²	178	98.3 Å²	98.3	77%	0.774	54%	0.539	S	S	*	.	S	Bend	trans	-136.1	119.3	176.9	-61.2	-178.2	-175.6	177.8	0	109.5	P293 P297	P293-K295 PolarHBondContact O-N 3.15Å; P293-K295 VanDerWaalsContact O-N 3.11Å; K295-P297 WeakPolarHBondContact O-CD 3.47Å
296	I	53.4	Low	65	Low	159 Å²	159	104 Å²	104	82%	0.815	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-58.4	120.9	167.1	-58.8	168.7	0	0	0	106.4
297	P	45.4	Very low	62.5	Low	91 Å²	91	109.2 Å²	109.2	59%	0.591	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-56.3	126.2	173.9	-19.2	29.7	0	0	0	107.7	K295	K295-P297 WeakPolarHBondContact O-CD 3.47Å
298	P	38.2	Very low	60.2	Low	110 Å²	110	112 Å²	112	71%	0.714	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-57.2	138	174.8	23.7	-30.6	0	0	0	107.8	T300	P298-T300 PolarHBondContact O-N 3.39Å; P298-T300 VanDerWaalsContact O-N 3.13Å
299	P	40.8	Very low	57.9	Low	123 Å²	123	114.8 Å²	114.8	80%	0.799	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-54.9	127.6	176.6	22.5	-30.7	0	0	0	107.8	R301	P299-R301 PolarHBondContact O-N 3.41Å
300	T	39.8	Very low	55.3	Low	141 Å²	141	124.9 Å²	124.9	87%	0.865	68%	0.682	S	S	*	*			trans	-44.6	112.9	-177.9	-32.6	0	0	0	0	108.9	P298	P298-T300 PolarHBondContact O-N 3.39Å; P298-T300 VanDerWaalsContact O-N 3.13Å
301	R	37.1	Very low	53	Low	232 Å²	232	128.2 Å²	128.2	88%	0.875	71%	0.71	S	S	*	*			trans	-56.9	127.4	177.1	-161.1	178	-172.2	-167.1	2	106.8	P299 L303	P299-R301 PolarHBondContact O-N 3.41Å; R301-L303 PolarHBondContact O-N 2.9Å
302	P	38.9	Very low	50.6	Low	110 Å²	110	134.4 Å²	134.4	71%	0.714	74%	0.737	S	S	*	*			trans	-53.4	135.5	173.6	-20.4	30	0	0	0	108.5
303	L	39.9	Very low	49	Very low	151 Å²	151	135.7 Å²	135.7	79%	0.791	75%	0.745	S	S	*	*			trans	-44.7	142.7	171	-78.6	154.2	0	0	0	109.3	R301 T305	R301-L303 PolarHBondContact O-N 2.9Å; L303-T305 VanDerWaalsContact C-N 3.34Å; L303-T305 PolarHBondContact O-N 3.35Å
304	P	40.3	Very low	47	Very low	124 Å²	124	139.8 Å²	139.8	81%	0.805	77%	0.772	S	S	*	*			trans	-62.2	100.2	176.8	-4.2	16.6	0	0	0	108.3	V306	P304-V306 PolarHBondContact O-N 3.18Å
305	T	47.5	Very low	45	Very low	129 Å²	129	139 Å²	139	79%	0.791	78%	0.781	S	S	*	*			trans	-64.9	121.9	168.1	-38.6	0	0	0	0	106.5	L303	L303-T305 VanDerWaalsContact C-N 3.34Å; L303-T305 PolarHBondContact O-N 3.35Å
306	V	43.4	Very low	44.3	Very low	120 Å²	120	137.3 Å²	137.3	73%	0.727	78%	0.781	S	S	*	*			trans	-41.6	131.9	168.1	176	0	0	0	0	108.8	P304	P304-V306 PolarHBondContact O-N 3.18Å
307	P	43.7	Very low	43.8	Very low	109 Å²	109	134.6 Å²	134.6	71%	0.708	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.1	-177.8	-19	29.3	0	0	0	109.7	H309	P307-H309 PolarHBondContact O-N 3.31Å
308	P	48.2	Very low	44.1	Very low	122 Å²	122	141.2 Å²	141.2	79%	0.792	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.2	130.4	175.8	26.4	-29.9	0	0	0	108.6	R310	P308-R310 PolarHBondContact O-N 3.41Å; P308-R310 VanDerWaalsContact O-N 3.15Å
309	H	44.6	Very low	44.5	Very low	191 Å²	191	144.3 Å²	144.3	88%	0.884	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-51.9	120.9	171.2	-97.2	-81.8	0	0	0	109.7	P307 S311	P307-H309 PolarHBondContact O-N 3.31Å; H309-S311 PolarHBondContact O-N 3.49Å
310	R	39	Very low	44.6	Very low	237 Å²	237	144.1 Å²	144.1	89%	0.894	78%	0.781	S	S	*	*			trans	-76.9	85.7	-177.8	-153.5	-179.3	-158.2	-172.5	5.1	109.2	P308	P308-R310 PolarHBondContact O-N 3.41Å; P308-R310 VanDerWaalsContact O-N 3.15Å
311	S	47.4	Very low	44.8	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	78%	0.779	S	S	*	*			trans	-89.7	115.4	162.9	53.5	0	0	0	0	108.9	H309 P313	H309-S311 PolarHBondContact O-N 3.49Å; S311-P313 WeakPolarHBondContact O-CD 3.37Å
312	I	44.3	Very low	45.4	Very low	152 Å²	152	145.1 Å²	145.1	78%	0.779	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80	120.7	179.4	-61	160.1	0	0	0	108.8
313	P	59.4	Low	45.6	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-97.7	145.6	161.9	0.8	21.1	0	0	0	110.3	S311	S311-P313 WeakPolarHBondContact O-CD 3.37Å
314	P	48.8	Very low	45.7	Very low	127 Å²	127	148 Å²	148	83%	0.825	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74.5	152.2	-173.7	-6.9	24.5	0	0	0	112.6
315	A	39.1	Very low	46.1	Very low	102 Å²	102	147.2 Å²	147.2	84%	0.843	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.8	127.7	-179.4	0	0	0	0	0	112.9
316	D	52.1	Low	45.9	Very low	143 Å²	143	147 Å²	147	77%	0.765	78%	0.783	S	S	*	*			trans	-106.3	117.8	161.6	-171.7	-6.4	0	0	0	109.7
317	P	42.9	Very low	45.6	Very low	102 Å²	102	152.6 Å²	152.6	66%	0.662	79%	0.792	S	S	*	*			trans	-98.7	103.2	174.7	33.8	-23.6	0	0	0	110.6
318	R	49.9	Very low	45.4	Very low	229 Å²	229	152.7 Å²	152.7	86%	0.864	79%	0.792	S	S	*	*			trans	-167.7	114.9	155.8	-98.2	137.9	-157.1	-150.3	11	114.8
319	K	46.8	Very low	45	Very low	176 Å²	176	152.9 Å²	152.9	77%	0.765	79%	0.793	S	S	*	*			trans	67.9	117.6	131.8	-83.2	-165.5	164.6	178.9	0	122.3
320	N	44.6	Very low	44.6	Very low	119 Å²	119	151 Å²	151	64%	0.636	80%	0.796	S	S	*	*				96.2	121.2	118.6	-73.2	14.4	0	0	0	120.5
321	D	42.8	Very low	44.4	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	79%	0.785	S	S	*	*			trans	50.9	94.8	141.3	-62.1	-37.7	0	0	0	117.5
322	R	49.7	Very low	43.8	Very low	242 Å²	242	149.2 Å²	149.2	91%	0.913	79%	0.793	S	S	*	*			trans	-130.9	129.9	158	-147.2	170	-172.4	-171.4	1.9	111.9
323	P	43.7	Very low	43.4	Very low	120 Å²	120	147.5 Å²	147.5	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69.2	145.7	-174.3	-11.8	27.1	0	0	0	111.7
324	K	41.3	Very low	42.6	Very low	201 Å²	201	147.4 Å²	147.4	87%	0.874	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.9	131	178.1	-157.9	170.6	-170.4	171.7	0	110.5
325	P	49.6	Very low	42.5	Very low	109 Å²	109	150.8 Å²	150.8	71%	0.708	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.6	145.7	176.6	-8.4	22.7	0	0	0	110.5
326	P	43.8	Very low	42.9	Very low	123 Å²	123	151.8 Å²	151.8	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.1	141.3	176.6	27.6	-31.1	0	0	0	110.4
327	R	36.2	Very low	43	Very low	239 Å²	239	147.1 Å²	147.1	90%	0.902	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-55.6	134.1	176.1	-113.6	177.7	-175.9	-170.9	0.8	110.3
328	P	40.4	Very low	44.2	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-63.9	144.8	169.2	-12.3	26.5	0	0	0	109.7	T330	P328-T330 PolarHBondContact O-N 2.74Å
329	P	39.5	Very low	45.4	Very low	126 Å²	126	138.2 Å²	138.2	82%	0.818	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-63.2	132.8	176.3	17.4	-15.8	0	0	0	109.3	G331	P329-G331 VanDerWaalsContact C-N 3.28Å; P329-G331 PolarHBondContact O-N 3.42Å
330	T	36	Very low	47.3	Very low	153 Å²	153	130.8 Å²	130.8	94%	0.939	71%	0.711	S	S	*	*			trans	-64.2	82.5	176.2	43.3	0	0	0	0	110.7	P328	P328-T330 PolarHBondContact O-N 2.74Å
331	G	35	Very low	49.4	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-95.7	124.8	161.2	0	0	0	0	0	109	P329	P329-G331 VanDerWaalsContact C-N 3.28Å; P329-G331 PolarHBondContact O-N 3.42Å
332	R	35.1	Very low	51.7	Low	238 Å²	238	122.8 Å²	122.8	90%	0.898	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-50.8	130.6	175.5	-138.3	175.1	-168.9	177.3	1.9	109.1	S334	R332-S334 PolarHBondContact O-N 3.46Å
333	P	35	Very low	53.7	Low	115 Å²	115	113.9 Å²	113.9	75%	0.747	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-61.4	116.4	175.7	-16.1	28.1	0	0	0	108.9	Y335	P333-Y335 PolarHBondContact O-N 3.47Å
334	S	43.4	Very low	55.8	Low	106 Å²	106	112.2 Å²	112.2	74%	0.741	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.5	169	-44.2	0	0	0	0	108	R332	R332-S334 PolarHBondContact O-N 3.46Å
335	Y	45.6	Very low	58.2	Low	199 Å²	199	102.6 Å²	102.6	78%	0.78	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-58.1	138	177.1	-74	-88.7	0	0	0	110	P333 G337 A338	P333-Y335 PolarHBondContact O-N 3.47Å; Y335-G337 PolarHBondContact O-N 3.38Å; Y335-A338 PolarHBondContact O-N 3.45Å; Y335-A338 VanDerWaalsContact O-N 3.07Å
336	P	48	Very low	60.1	Low	122 Å²	122	102 Å²	102	79%	0.792	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	113.4	176.7	-17.5	28.8	0	0	0	109.4
337	G	53.6	Low	62.5	Low	45 Å²	45	96.2 Å²	96.2	46%	0.464	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.1	-4	-178.3	0	0	0	0	0	116.2	Y335	Y335-G337 PolarHBondContact O-N 3.38Å
338	A	67.6	Low	65.3	Low	52 Å²	52	87 Å²	87	43%	0.43	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-65.7	138.8	172.4	0	0	0	0	0	111.5	Y335 P340	Y335-A338 PolarHBondContact O-N 3.45Å; Y335-A338 VanDerWaalsContact O-N 3.07Å; A338-P340 WeakPolarHBondContact O-CD 3.26Å
339	K	75	Confident	67.9	Low	92 Å²	92	81.9 Å²	81.9	40%	0.4	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-57.8	121.2	174.7	-78.4	176.2	174.2	172.9	0	110.1	D259 T261 W364 P378	D259-K339 IonicContact OD1-NZ 2.88Å; D259-K339 PolarHBondContact OD1-NZ 3.37Å; D259-K339 WeakPolarHBondContact OD2-CE 3.41Å; D259-K339 IonicContact OD2-NZ 3.81Å; D259-K339 PolarHBondContact OD2-NZ 3.42Å; T261-K339 WeakPolarHBondContact OG1-CE 3.11Å; K339-W364 HydrophobicContact CB-CH2 4.44Å; K339-W364 HydrophobicContact CD-CH2 4.35Å; K339-W364 HydrophobicContact CD-CZ3 4.4Å; K339-W364 HydrophobicContact CG-CH2 3.4Å; K339-W364 HydrophobicContact CG-CZ2 3.98Å; K339-W364 HydrophobicContact CG-CZ3 3.68Å; K339-P378 HydrophobicContact CB-CG 4.14Å; K339-P378 HydrophobicContact CG-CG 4.3Å
340	P	87.7	Confident	70.6	Confident	21 Å²	21	75.9 Å²	75.9	14%	0.136	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-68.9	151.1	179.7	25.2	-31.8	0	0	0	111.2	A338 K361 W364 W366	A338-P340 WeakPolarHBondContact O-CD 3.26Å; P340-K361 HydrophobicContact CB-CD 4.48Å; P340-W364 VanDerWaalsContact CD-CG 3.48Å; P340-W364 HydrophobicContact CG-CB 3.82Å; P340-W364 VanDerWaalsContact CG-CD1 3.46Å; P340-W364 HydrophobicContact CG-CD2 4.22Å; P340-W364 HydrophobicContact CG-CG 3.56Å; P340-W366 HydrophobicContact CB-CH2 3.95Å; P340-W366 HydrophobicContact CB-CZ2 4.05Å; P340-W366 HydrophobicContact CG-CH2 3.52Å; P340-W366 HydrophobicContact CG-CZ2 3.64Å
341	N	88.4	Confident	73.3	Confident	89 Å²	89	68.8 Å²	68.8	48%	0.476	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-88.9	133.1	169.3	-171	-40.1	0	0	0	109.1	C343 D344	N341-C343 PolarHBondContact O-N 2.77Å; N341-C343 WeakPolarHBondContact OD1-CB 3.24Å; N341-C343 PolarHBondContact OD1-N 3.28Å; N341-D344 PolarHBondContact N-OD2 3.45Å; N341-D344 WeakPolarHBondContact O-CB 3.31Å; N341-D344 PolarHBondContact O-N 3.3Å; N341-D344 VanDerWaalsContact O-N 3.1Å
342	I	90.4	Very high	75.9	Confident	13 Å²	13	68 Å²	68	7%	0.067	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-59.6	-31.6	178.5	-159.9	169.1	0	0	0	112	D344 G345 F347 W366 V368 V373 M530	I342-D344 PolarHBondContact O-N 2.87Å; I342-G345 PolarHBondContact O-N 2.83Å; I342-F347 HydrophobicContact CG1-CE1 4.06Å; I342-F347 HydrophobicContact CG1-CZ 3.94Å; I342-F347 WeakPolarHBondContact O-CZ 3.45Å; I342-W366 HydrophobicContact CB-CD2 4.41Å; I342-W366 HydrophobicContact CB-CZ2 4.38Å; I342-W366 HydrophobicContact CD1-CB 4.06Å; I342-W366 HydrophobicContact CD1-CD2 4.15Å; I342-W366 HydrophobicContact CD1-CG 3.86Å; I342-W366 HydrophobicContact CG1-CD2 4.16Å; I342-W366 HydrophobicContact CG1-CG 4.36Å; I342-V368 HydrophobicContact CD1-CG2 3.84Å; I342-V373 HydrophobicContact CB-CG2 4.27Å; I342-V373 HydrophobicContact CD1-CG2 3.32Å; I342-V373 HydrophobicContact CG1-CG2 4.37Å; I342-V373 HydrophobicContact CG2-CG2 3.83Å; I342-M530 HydrophobicContact CD1-CB 4.23Å; I342-M530 HydrophobicContact CD1-CG 4.25Å; I342-M530 HydrophobicContact CD1-SD 3.59Å; I342-M530 VanDerWaalsContact CD1-SD 3.59Å; I342-M530 HydrophobicContact CG1-CB 4.31Å; I342-M530 HydrophobicContact CG1-CG 4.28Å; I342-M530 HydrophobicContact CG1-SD 4.12Å
343	C	92.1	Very high	78.3	Confident	55 Å²	55	56.7 Å²	56.7	37%	0.372	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-74.9	-7.3	-179.4	-58.7	0	0	0	0	113.7	N341 G345 C532	N341-C343 PolarHBondContact O-N 2.77Å; N341-C343 WeakPolarHBondContact OD1-CB 3.24Å; N341-C343 PolarHBondContact OD1-N 3.28Å; C343-G345 PolarHBondContact O-N 3.33Å; C343-C532 WeakPolarHBondContact CA-SG 3.43Å; C343-C532 HydrophobicContact CB-CB 3.84Å; C343-C532 WeakPolarHBondContact CB-SG 3.41Å; C343-C532 WeakPolarHBondContact SG-CB 3.27Å; C343-C532 CovalentContact SG-SG 2.04Å; C343-C532 PolarHBondContact SG-SG 3.03Å
344	D	88.8	Confident	80.3	Confident	84 Å²	84	56.2 Å²	56.2	45%	0.449	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-67.9	-27.7	171.2	-62.1	-25.5	0	0	0	111.2	N341 I342 K505	N341-D344 PolarHBondContact N-OD2 3.45Å; N341-D344 WeakPolarHBondContact O-CB 3.31Å; N341-D344 PolarHBondContact O-N 3.3Å; N341-D344 VanDerWaalsContact O-N 3.1Å; I342-D344 PolarHBondContact O-N 2.87Å; D344-K505 WeakPolarHBondContact O-CE 3.19Å; D344-K505 PolarHBondContact O-NZ 3.4Å
345	G	89.9	Confident	81.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.313	C	S	.	.			trans	69.2	-155.3	-176.5	0	0	0	0	0	113.7	I342 C343 K361	I342-G345 PolarHBondContact O-N 2.83Å; C343-G345 PolarHBondContact O-N 3.33Å; G345-K361 WeakPolarHBondContact O-CE 3.02Å; G345-K361 PolarHBondContact O-NZ 2.95Å
346	N	90.2	Very high	83.4	Confident	96 Å²	96	53.1 Å²	53.1	51%	0.513	29%	0.285	S	S	.	.			trans	55.6	58	-177.6	-59.4	-23.1	0	0	0	112.6
347	F	94.5	Very high	85.4	Confident	1 Å²	1	48 Å²	48	0%	0.004	25%	0.25	C	S	.	.			trans	-73.3	149.8	176.3	-46.7	-54.4	0	0	0	109.9	I342 L350 V359 F360 K361 W366 Q488 Y502 I525 L526 M530	I342-F347 HydrophobicContact CG1-CE1 4.06Å; I342-F347 HydrophobicContact CG1-CZ 3.94Å; I342-F347 WeakPolarHBondContact O-CZ 3.45Å; F347-L350 HydrophobicContact CD2-CD2 4.4Å; F347-V359 HydrophobicContact CB-CG1 3.94Å; F347-V359 HydrophobicContact CD1-CG1 3.41Å; F347-V359 VanDerWaalsContact CD1-CG1 3.41Å; F347-V359 HydrophobicContact CD2-CG1 3.56Å; F347-V359 HydrophobicContact CE1-CG1 3.7Å; F347-V359 HydrophobicContact CE2-CG1 3.84Å; F347-V359 HydrophobicContact CG-CG1 3.33Å; F347-V359 HydrophobicContact CZ-CG1 3.9Å; F347-F360 CarbonylContact C-O 3.6Å; F347-F360 WeakPolarHBondContact CB-O 3.24Å; F347-K361 HydrophobicContact CD1-CB 4.26Å; F347-K361 HydrophobicContact CD1-CD 4.23Å; F347-W366 HydrophobicContact CD1-CZ3 4.43Å; F347-W366 HydrophobicContact CE1-CZ3 4.48Å; F347-Q488 PolarHBondContact O-NE2 3.43Å; F347-Y502 HydrophobicContact CB-CE1 3.96Å; F347-Y502 HydrophobicContact CD2-CE1 4.18Å; F347-Y502 HydrophobicContact CD2-CE2 4.19Å; F347-Y502 AromaticContact CD2-CZ 3.65Å; F347-Y502 WeakPolarHBondContact CD2-OH 3.31Å; F347-Y502 PolarHBondContact N-OH 2.98Å; F347-I525 HydrophobicContact CE2-CG2 4.34Å; F347-L526 HydrophobicContact CE2-CD2 4.05Å; F347-L526 HydrophobicContact CZ-CD2 3.85Å; F347-M530 HydrophobicContact CE2-CE 4.05Å; F347-M530 HydrophobicContact CE2-CG 4.32Å; F347-M530 HydrophobicContact CE2-SD 4.46Å; F347-M530 HydrophobicContact CZ-CG 4.24Å; F347-M530 HydrophobicContact CZ-SD 4.46Å
348	N	94.5	Very high	87.1	Confident	47 Å²	47	46.2 Å²	46.2	25%	0.251	23%	0.23	S	C	.	.	S	Bend	trans	-66.4	-48.9	171.5	-65.8	93.1	0	0	0	109.9	F360 K361 D362 I392	N348-F360 PolarHBondContact N-O 3.22Å; N348-K361 VanDerWaalsContact OD1-CA 3.24Å; N348-K361 WeakPolarHBondContact OD1-CA 3.42Å; N348-D362 PolarHBondContact OD1-N 2.87Å; N348-I392 WeakPolarHBondContact CB-O 3.35Å
349	T	96.4	Very high	88.4	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	169.8	177.2	-163.5	0	0	0	0	111.6	F360 I392 D393 V395 Q488	T349-F360 HydrophobicContact CG2-CB 4.07Å; T349-F360 HydrophobicContact CG2-CD2 4.02Å; T349-F360 HydrophobicContact CG2-CG 4.32Å; T349-F360 PolarHBondContact N-O 3.12Å; T349-F360 PolarHBondContact O-N 3.43Å; T349-I392 HydrophobicContact CG2-CD1 3.88Å; T349-I392 HydrophobicContact CG2-CG1 4.03Å; T349-D393 WeakPolarHBondContact CB-O 3.47Å; T349-V395 HydrophobicContact CG2-CG1 4.06Å; T349-Q488 VanDerWaalsContact CA-O 3.23Å; T349-Q488 WeakPolarHBondContact CA-O 3.22Å; T349-Q488 WeakPolarHBondContact CB-O 3.29Å; T349-Q488 PolarHBondContact OG1-O 3.04Å
350	L	95.6	Very high	89.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.1	171.6	60.6	89.1	0	0	0	109.9	F347 F358 V359 F491 Y502 I525	F347-L350 HydrophobicContact CD2-CD2 4.4Å; L350-F358 WeakPolarHBondContact CA-O 3.49Å; L350-F358 WeakPolarHBondContact CB-O 3.31Å; L350-V359 HydrophobicContact CB-CG2 4.37Å; L350-F491 HydrophobicContact CD1-CD1 3.41Å; L350-F491 VanDerWaalsContact CD1-CD1 3.41Å; L350-F491 HydrophobicContact CD1-CE1 3.52Å; L350-Y502 HydrophobicContact CD2-CD1 3.54Å; L350-Y502 HydrophobicContact CD2-CD2 4Å; L350-Y502 HydrophobicContact CD2-CE1 4.06Å; L350-Y502 HydrophobicContact CD2-CE2 4.49Å; L350-Y502 HydrophobicContact CD2-CG 3.49Å; L350-Y502 VanDerWaalsContact CD2-CG 3.49Å; L350-Y502 HydrophobicContact CG-CD1 4Å; L350-Y502 HydrophobicContact CG-CG 4.19Å; L350-I525 HydrophobicContact CD2-CD1 3.35Å
351	A	92.8	Very high	89.6	Confident	3 Å²	3	39.6 Å²	39.6	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.2	178.3	0	0	0	0	0	111.2	L353 F358 V395	A351-L353 HydrophobicContact CB-CD2 4.28Å; A351-L353 HydrophobicContact CB-CG 4.46Å; A351-F358 PolarHBondContact N-O 2.91Å; A351-F358 PolarHBondContact O-N 2.75Å; A351-V395 HydrophobicContact CB-CG1 3.78Å; A351-V395 WeakPolarHBondContact CB-O 3.26Å
352	I	89.1	Confident	89.7	Confident	49 Å²	49	39.6 Å²	39.6	25%	0.251	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.8	165.7	-62	-63.8	0	0	0	108	E356 M357 F491	I352-E356 CarbonylContact C-O 3.57Å; I352-E356 VanDerWaalsContact CA-O 3.26Å; I352-E356 WeakPolarHBondContact CA-O 3.4Å; I352-M357 HydrophobicContact CD1-CB 3.72Å; I352-M357 HydrophobicContact CD1-CE 4.05Å; I352-M357 HydrophobicContact CD1-CG 4.33Å; I352-F491 HydrophobicContact CB-CB 4.25Å; I352-F491 HydrophobicContact CD1-CD2 4.25Å; I352-F491 HydrophobicContact CG1-CB 3.67Å; I352-F491 HydrophobicContact CG1-CD2 3.63Å; I352-F491 HydrophobicContact CG1-CE2 4.49Å; I352-F491 HydrophobicContact CG1-CG 3.78Å
353	L	85	Confident	89.5	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.3	175.4	-53.6	176.8	0	0	0	107.8	A351 R355 E356 F358 F360 V395 E397 F403	A351-L353 HydrophobicContact CB-CD2 4.28Å; A351-L353 HydrophobicContact CB-CG 4.46Å; L353-R355 PolarHBondContact O-N 3.33Å; L353-R355 VanDerWaalsContact O-N 3.11Å; L353-E356 PolarHBondContact N-O 2.99Å; L353-E356 PolarHBondContact O-N 3.03Å; L353-F358 HydrophobicContact CB-CD2 3.81Å; L353-F358 HydrophobicContact CB-CE2 3.95Å; L353-F358 HydrophobicContact CD1-CB 4.31Å; L353-F358 HydrophobicContact CD1-CD2 4.17Å; L353-F358 HydrophobicContact CD1-CG 4.14Å; L353-F358 HydrophobicContact CG-CD2 4.17Å; L353-F360 HydrophobicContact CD1-CZ 4.49Å; L353-V395 HydrophobicContact CD1-CG2 4.14Å; L353-V395 HydrophobicContact CD2-CG2 4.17Å; L353-E397 HydrophobicContact CD2-CB 4.09Å; L353-F403 HydrophobicContact CB-CD1 4.27Å; L353-F403 HydrophobicContact CB-CE1 3.9Å; L353-F403 HydrophobicContact CB-CZ 4.06Å; L353-F403 HydrophobicContact CD1-CD2 4.26Å; L353-F403 HydrophobicContact CD1-CG 4.27Å; L353-F403 HydrophobicContact CD2-CD1 4Å; L353-F403 HydrophobicContact CD2-CE1 4.45Å; L353-F403 HydrophobicContact CD2-CG 4.38Å; L353-F403 HydrophobicContact CG-CD1 4.48Å
354	R	78.2	Confident	89.2	Confident	105 Å²	105	39.9 Å²	39.9	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	38.5	-176.3	-60.5	-67.1	-168	-150.3	3.3	113.4	E356 E397 G401 F403 D416	R354-E356 VanDerWaalsContact C-N 3.28Å; R354-E356 PolarHBondContact O-N 3.45Å; R354-E397 IonicContact CZ-OE1 2.85Å; R354-E397 PolarHBondContact N-OE2 3.11Å; R354-E397 IonicContact NE-OE1 3.08Å; R354-E397 IonicContact NH1-OE1 3.99Å; R354-E397 PolarHBondContact NH1-OE1 2.9Å; R354-G401 PolarHBondContact NH1-O 2.87Å; R354-G401 PolarHBondContact NH2-O 3.38Å; R354-F403 HydrophobicContact CG-CE1 3.79Å; R354-F403 HydrophobicContact CG-CZ 3.53Å; R354-D416 IonicContact CZ-OD1 3.7Å; R354-D416 VanDerWaalsContact CZ-OD1 3.29Å; R354-D416 IonicContact NE-OD1 2.82Å; R354-D416 PolarHBondContact NE-OD1 2.67Å; R354-D416 IonicContact NH2-OD1 3.04Å; R354-D416 PolarHBondContact NH2-OD1 2.9Å; R354-D416 IonicContact NH2-OD2 2.89Å
355	R	76.3	Confident	89.2	Confident	201 Å²	201	35.9 Å²	35.9	76%	0.758	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	15	-179.6	-49.3	174.4	174.5	-117.8	-0.6	115.4	L353	L353-R355 PolarHBondContact O-N 3.33Å; L353-R355 VanDerWaalsContact O-N 3.11Å
356	E	78	Confident	89.3	Confident	39 Å²	39	36.1 Å²	36.1	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.9	175.9	-63.3	177.7	142.4	0	0	110.9	I352 L353 R354 F358 R367	I352-E356 CarbonylContact C-O 3.57Å; I352-E356 VanDerWaalsContact CA-O 3.26Å; I352-E356 WeakPolarHBondContact CA-O 3.4Å; L353-E356 PolarHBondContact N-O 2.99Å; L353-E356 PolarHBondContact O-N 3.03Å; R354-E356 VanDerWaalsContact C-N 3.28Å; R354-E356 PolarHBondContact O-N 3.45Å; E356-F358 HydrophobicContact CB-CD2 4.49Å; E356-F358 HydrophobicContact CB-CE2 4.01Å; E356-F358 WeakPolarHBondContact O-CD2 3.35Å; E356-R367 IonicContact OE1-CZ 3.65Å; E356-R367 IonicContact OE1-NH2 2.85Å; E356-R367 PolarHBondContact OE1-NH2 2.97Å; E356-R367 IonicContact OE2-CZ 3.95Å; E356-R367 IonicContact OE2-NE 2.67Å; E356-R367 PolarHBondContact OE2-NE 2.98Å; E356-R367 IonicContact OE2-NH2 3.54Å; E356-R367 PolarHBondContact OE2-NH2 3.26Å
357	M	88.4	Confident	89	Confident	13 Å²	13	33.4 Å²	33.4	6%	0.064	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125	178.8	-176.4	172.1	-72.3	0	0	110.7	I352 V359 R367 V368 F491 F529 M530	I352-M357 HydrophobicContact CD1-CB 3.72Å; I352-M357 HydrophobicContact CD1-CE 4.05Å; I352-M357 HydrophobicContact CD1-CG 4.33Å; M357-V359 HydrophobicContact CG-CG2 4.09Å; M357-V359 HydrophobicContact SD-CG2 4.37Å; M357-R367 WeakPolarHBondContact O-CA 3.27Å; M357-V368 HydrophobicContact CB-CB 4.26Å; M357-V368 HydrophobicContact CG-CB 4.45Å; M357-V368 PolarHBondContact N-O 2.92Å; M357-V368 PolarHBondContact O-N 2.83Å; M357-F491 HydrophobicContact CE-CD1 4.33Å; M357-F491 HydrophobicContact CE-CE1 3.67Å; M357-F491 HydrophobicContact CE-CE2 3.97Å; M357-F491 HydrophobicContact CE-CZ 3.46Å; M357-F491 VanDerWaalsContact CE-CZ 3.46Å; M357-F529 HydrophobicContact CE-CD1 3.47Å; M357-F529 VanDerWaalsContact CE-CD1 3.47Å; M357-F529 HydrophobicContact CE-CE1 3.77Å; M357-F529 HydrophobicContact CE-CG 4.34Å; M357-F529 HydrophobicContact SD-CB 4.39Å; M357-F529 HydrophobicContact SD-CD1 4.08Å; M357-M530 HydrophobicContact SD-CE 3.94Å
358	F	90.6	Very high	88.6	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129	171.2	-72.6	-107.8	0	0	0	108.9	L350 A351 L353 E356 F360 F365 W366 R367 W385	L350-F358 WeakPolarHBondContact CA-O 3.49Å; L350-F358 WeakPolarHBondContact CB-O 3.31Å; A351-F358 PolarHBondContact N-O 2.91Å; A351-F358 PolarHBondContact O-N 2.75Å; L353-F358 HydrophobicContact CB-CD2 3.81Å; L353-F358 HydrophobicContact CB-CE2 3.95Å; L353-F358 HydrophobicContact CD1-CB 4.31Å; L353-F358 HydrophobicContact CD1-CD2 4.17Å; L353-F358 HydrophobicContact CD1-CG 4.14Å; L353-F358 HydrophobicContact CG-CD2 4.17Å; E356-F358 HydrophobicContact CB-CD2 4.49Å; E356-F358 HydrophobicContact CB-CE2 4.01Å; E356-F358 WeakPolarHBondContact O-CD2 3.35Å; F358-F360 HydrophobicContact CB-CD2 4.37Å; F358-F360 HydrophobicContact CB-CE2 3.48Å; F358-F360 VanDerWaalsContact CB-CE2 3.48Å; F358-F360 HydrophobicContact CB-CZ 3.85Å; F358-F360 HydrophobicContact CD1-CZ 4.37Å; F358-F365 AromaticContact CD1-CD2 3.77Å; F358-F365 HydrophobicContact CD1-CD2 3.77Å; F358-F365 AromaticContact CD1-CE2 3.82Å; F358-F365 HydrophobicContact CD1-CE2 3.82Å; F358-F365 HydrophobicContact CE1-CD2 4.26Å; F358-F365 AromaticContact CE1-CE2 3.82Å; F358-F365 HydrophobicContact CE1-CE2 3.82Å; F358-W366 WeakPolarHBondContact CA-O 3.25Å; F358-R367 HydrophobicContact CD1-CG 3.71Å; F358-R367 HydrophobicContact CD2-CG 4.36Å; F358-R367 HydrophobicContact CE1-CG 3.36Å; F358-R367 HydrophobicContact CE2-CG 4.03Å; F358-R367 HydrophobicContact CG-CG 4.22Å; F358-R367 HydrophobicContact CZ-CG 3.53Å; F358-W385 AromaticContact CD1-CH2 3.68Å; F358-W385 HydrophobicContact CD1-CH2 3.68Å; F358-W385 HydrophobicContact CD1-CZ2 4.38Å; F358-W385 AromaticContact CE1-CH2 3.72Å; F358-W385 HydrophobicContact CE1-CH2 3.72Å; F358-W385 HydrophobicContact CE1-CZ2 4.14Å
359	V	94.5	Very high	87.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.2	-179.4	-176.1	0	0	0	0	107.8	F347 L350 M357 F365 W366 V368 M530	F347-V359 HydrophobicContact CB-CG1 3.94Å; F347-V359 HydrophobicContact CD1-CG1 3.41Å; F347-V359 VanDerWaalsContact CD1-CG1 3.41Å; F347-V359 HydrophobicContact CD2-CG1 3.56Å; F347-V359 HydrophobicContact CE1-CG1 3.7Å; F347-V359 HydrophobicContact CE2-CG1 3.84Å; F347-V359 HydrophobicContact CG-CG1 3.33Å; F347-V359 HydrophobicContact CZ-CG1 3.9Å; L350-V359 HydrophobicContact CB-CG2 4.37Å; M357-V359 HydrophobicContact CG-CG2 4.09Å; M357-V359 HydrophobicContact SD-CG2 4.37Å; V359-F365 CarbonylContact O-C 3.58Å; V359-F365 WeakPolarHBondContact O-CA 3.42Å; V359-F365 WeakPolarHBondContact O-CB 3.25Å; V359-W366 HydrophobicContact CB-CB 4.49Å; V359-W366 HydrophobicContact CB-CE3 4.24Å; V359-W366 HydrophobicContact CG1-CE3 4.19Å; V359-W366 PolarHBondContact N-O 3.33Å; V359-W366 PolarHBondContact O-N 3.14Å; V359-V368 HydrophobicContact CG2-CG2 3.93Å; V359-M530 HydrophobicContact CG2-CE 3.65Å; V359-M530 HydrophobicContact CG2-SD 3.96Å
360	F	93.9	Very high	87	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.3	-173.8	-62.4	-95.7	0	0	0	110.7	F347 N348 T349 L353 F358 F365 I381 W385 I392 V395 F405	F347-F360 CarbonylContact C-O 3.6Å; F347-F360 WeakPolarHBondContact CB-O 3.24Å; N348-F360 PolarHBondContact N-O 3.22Å; T349-F360 HydrophobicContact CG2-CB 4.07Å; T349-F360 HydrophobicContact CG2-CD2 4.02Å; T349-F360 HydrophobicContact CG2-CG 4.32Å; T349-F360 PolarHBondContact N-O 3.12Å; T349-F360 PolarHBondContact O-N 3.43Å; L353-F360 HydrophobicContact CD1-CZ 4.49Å; F358-F360 HydrophobicContact CB-CD2 4.37Å; F358-F360 HydrophobicContact CB-CE2 3.48Å; F358-F360 VanDerWaalsContact CB-CE2 3.48Å; F358-F360 HydrophobicContact CB-CZ 3.85Å; F358-F360 HydrophobicContact CD1-CZ 4.37Å; F360-F365 HydrophobicContact CD1-CB 3.6Å; F360-F365 HydrophobicContact CD1-CG 4.45Å; F360-F365 HydrophobicContact CE1-CB 3.86Å; F360-F365 HydrophobicContact CE1-CG 4.27Å; F360-F365 HydrophobicContact CG-CB 4.2Å; F360-I381 HydrophobicContact CD1-CD1 3.76Å; F360-I381 HydrophobicContact CD1-CG1 3.9Å; F360-I381 HydrophobicContact CE1-CG1 4.33Å; F360-W385 HydrophobicContact CE1-CE3 4.34Å; F360-W385 AromaticContact CE1-CH2 3.92Å; F360-W385 HydrophobicContact CE1-CH2 3.92Å; F360-W385 AromaticContact CE1-CZ3 3.58Å; F360-W385 HydrophobicContact CE1-CZ3 3.58Å; F360-W385 AromaticContact CZ-CH2 3.85Å; F360-W385 HydrophobicContact CZ-CH2 3.85Å; F360-W385 HydrophobicContact CZ-CZ3 4.01Å; F360-I392 HydrophobicContact CB-CD1 4.11Å; F360-I392 HydrophobicContact CB-CG1 4.13Å; F360-I392 HydrophobicContact CD1-CD1 3.52Å; F360-I392 HydrophobicContact CD1-CG1 4.15Å; F360-I392 HydrophobicContact CD2-CD1 3.97Å; F360-I392 HydrophobicContact CE1-CD1 3.83Å; F360-I392 HydrophobicContact CE2-CD1 4.24Å; F360-I392 HydrophobicContact CG-CD1 3.61Å; F360-I392 HydrophobicContact CG-CG1 4.16Å; F360-I392 HydrophobicContact CZ-CD1 4.18Å; F360-V395 HydrophobicContact CD2-CG1 4.17Å; F360-V395 HydrophobicContact CE2-CG1 3.73Å; F360-V395 HydrophobicContact CZ-CG1 4.39Å; F360-F405 HydrophobicContact CE1-CE1 4.15Å; F360-F405 AromaticContact CZ-CE1 4Å; F360-F405 HydrophobicContact CZ-CE1 4Å
361	K	93.9	Very high	86.4	Confident	25 Å²	25	49.4 Å²	49.4	11%	0.109	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	120.4	177.5	-172.8	176.4	174.3	174.3	0	111.2	P340 G345 F347 N348 Q363 W364 W366	P340-K361 HydrophobicContact CB-CD 4.48Å; G345-K361 WeakPolarHBondContact O-CE 3.02Å; G345-K361 PolarHBondContact O-NZ 2.95Å; F347-K361 HydrophobicContact CD1-CB 4.26Å; F347-K361 HydrophobicContact CD1-CD 4.23Å; N348-K361 VanDerWaalsContact OD1-CA 3.24Å; N348-K361 WeakPolarHBondContact OD1-CA 3.42Å; K361-Q363 PolarHBondContact O-N 3.42Å; K361-W364 CarbonylContact C-O 3.45Å; K361-W364 PolarHBondContact N-O 3.06Å; K361-W364 WeakPolarHBondContact O-CA 3.31Å; K361-W364 WeakPolarHBondContact O-CB 3.06Å; K361-W364 PolarHBondContact O-N 3.24Å; K361-W364 VanDerWaalsContact O-O 3.07Å; K361-W366 HydrophobicContact CB-CH2 3.86Å; K361-W366 HydrophobicContact CB-CZ3 3.53Å; K361-W366 HydrophobicContact CD-CH2 4.16Å; K361-W366 HydrophobicContact CD-CZ3 4.49Å
362	D	89.9	Confident	85.9	Confident	90 Å²	90	56.8 Å²	56.8	48%	0.481	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-123.6	-175	-53.4	-51.5	0	0	0	109.6	N348 W364 I381 P390 S391	N348-D362 PolarHBondContact OD1-N 2.87Å; D362-W364 VanDerWaalsContact C-N 3.29Å; D362-I381 WeakPolarHBondContact O-CD1 3.47Å; D362-P390 CarbonylContact O-C 3.54Å; D362-S391 VanDerWaalsContact O-CA 3.3Å; D362-S391 WeakPolarHBondContact O-CA 3.37Å; D362-S391 WeakPolarHBondContact O-CB 3.29Å
363	Q	86	Confident	85.6	Confident	64 Å²	64	56 Å²	56	30%	0.299	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.6	175.3	69.6	-173.1	-0.8	0	0	115.2	K361 Q380 I381 P390	K361-Q363 PolarHBondContact O-N 3.42Å; Q363-Q380 CarbonylContact O-C 3.58Å; Q363-Q380 VanDerWaalsContact O-CA 3.25Å; Q363-Q380 WeakPolarHBondContact O-CA 3.35Å; Q363-I381 PolarHBondContact O-N 2.86Å; Q363-P390 VanDerWaalsContact CA-O 3.22Å; Q363-P390 WeakPolarHBondContact CA-O 3.34Å; Q363-P390 HydrophobicContact CB-CB 3.97Å
364	W	87.6	Confident	85.1	Confident	10 Å²	10	57.9 Å²	57.9	4%	0.038	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.3	-168.2	-56.9	93.6	0	0	0	111.8	T261 K339 P340 K361 D362 W366 P378 M379 Q380	T261-W364 HydrophobicContact CG2-CH2 3.85Å; T261-W364 HydrophobicContact CG2-CZ3 3.58Å; K339-W364 HydrophobicContact CB-CH2 4.44Å; K339-W364 HydrophobicContact CD-CH2 4.35Å; K339-W364 HydrophobicContact CD-CZ3 4.4Å; K339-W364 HydrophobicContact CG-CH2 3.4Å; K339-W364 HydrophobicContact CG-CZ2 3.98Å; K339-W364 HydrophobicContact CG-CZ3 3.68Å; P340-W364 VanDerWaalsContact CD-CG 3.48Å; P340-W364 HydrophobicContact CG-CB 3.82Å; P340-W364 VanDerWaalsContact CG-CD1 3.46Å; P340-W364 HydrophobicContact CG-CD2 4.22Å; P340-W364 HydrophobicContact CG-CG 3.56Å; K361-W364 CarbonylContact C-O 3.45Å; K361-W364 PolarHBondContact N-O 3.06Å; K361-W364 WeakPolarHBondContact O-CA 3.31Å; K361-W364 WeakPolarHBondContact O-CB 3.06Å; K361-W364 PolarHBondContact O-N 3.24Å; K361-W364 VanDerWaalsContact O-O 3.07Å; D362-W364 VanDerWaalsContact C-N 3.29Å; W364-W366 HydrophobicContact CB-CH2 4.44Å; W364-P378 HydrophobicContact CB-CB 4.13Å; W364-P378 HydrophobicContact CD2-CB 4.34Å; W364-P378 HydrophobicContact CE3-CB 3.77Å; W364-P378 HydrophobicContact CE3-CG 4.06Å; W364-P378 HydrophobicContact CZ3-CG 4.45Å; W364-M379 CarbonylContact C-O 3.47Å; W364-M379 VanDerWaalsContact CA-O 3.31Å; W364-M379 WeakPolarHBondContact CA-O 3.3Å; W364-Q380 HydrophobicContact CE3-CG 4.18Å; W364-Q380 HydrophobicContact CH2-CG 4.27Å; W364-Q380 HydrophobicContact CZ3-CG 4.06Å
365	F	89	Confident	84.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.7	167.3	78.8	-77.4	0	0	0	111.7	F358 V359 F360 Y377 P378 M379 Q380 I381 F384 W385	F358-F365 AromaticContact CD1-CD2 3.77Å; F358-F365 HydrophobicContact CD1-CD2 3.77Å; F358-F365 AromaticContact CD1-CE2 3.82Å; F358-F365 HydrophobicContact CD1-CE2 3.82Å; F358-F365 HydrophobicContact CE1-CD2 4.26Å; F358-F365 AromaticContact CE1-CE2 3.82Å; F358-F365 HydrophobicContact CE1-CE2 3.82Å; V359-F365 CarbonylContact O-C 3.58Å; V359-F365 WeakPolarHBondContact O-CA 3.42Å; V359-F365 WeakPolarHBondContact O-CB 3.25Å; F360-F365 HydrophobicContact CD1-CB 3.6Å; F360-F365 HydrophobicContact CD1-CG 4.45Å; F360-F365 HydrophobicContact CE1-CB 3.86Å; F360-F365 HydrophobicContact CE1-CG 4.27Å; F360-F365 HydrophobicContact CG-CB 4.2Å; F365-Y377 HydrophobicContact CD2-CD1 4.47Å; F365-Y377 AromaticContact CD2-CE1 3.96Å; F365-Y377 HydrophobicContact CD2-CE1 3.96Å; F365-Y377 HydrophobicContact CE2-CD1 4.34Å; F365-Y377 AromaticContact CE2-CE1 3.44Å; F365-Y377 HydrophobicContact CE2-CE1 3.44Å; F365-Y377 VanDerWaalsContact CE2-CE1 3.44Å; F365-Y377 AromaticContact CZ-CE1 3.78Å; F365-Y377 HydrophobicContact CZ-CE1 3.78Å; F365-Y377 WeakPolarHBondContact O-CD1 3.46Å; F365-P378 WeakPolarHBondContact O-CA 3.22Å; F365-M379 HydrophobicContact CD1-CB 4.29Å; F365-M379 VanDerWaalsContact CD1-O 3.26Å; F365-M379 WeakPolarHBondContact CD1-O 3.47Å; F365-M379 HydrophobicContact CE1-CB 3.74Å; F365-M379 HydrophobicContact CZ-CB 4.21Å; F365-M379 HydrophobicContact CZ-CE 3.96Å; F365-M379 PolarHBondContact N-O 2.9Å; F365-M379 PolarHBondContact O-N 3.43Å; F365-Q380 WeakPolarHBondContact CE1-O 3.38Å; F365-I381 HydrophobicContact CB-CG1 4.01Å; F365-I381 HydrophobicContact CD1-CG1 3.9Å; F365-I381 HydrophobicContact CG-CG1 4.35Å; F365-F384 HydrophobicContact CE1-CB 3.99Å; F365-F384 HydrophobicContact CZ-CB 3.75Å; F365-F384 HydrophobicContact CZ-CD2 4.47Å; F365-F384 HydrophobicContact CZ-CG 4.03Å; F365-W385 AromaticContact CD1-CZ3 3.97Å; F365-W385 HydrophobicContact CD1-CZ3 3.97Å; F365-W385 HydrophobicContact CD2-CH2 4.09Å; F365-W385 AromaticContact CD2-CZ3 3.92Å; F365-W385 HydrophobicContact CD2-CZ3 3.92Å; F365-W385 HydrophobicContact CE1-CE3 4.48Å; F365-W385 AromaticContact CE1-CZ3 3.85Å; F365-W385 HydrophobicContact CE1-CZ3 3.85Å; F365-W385 AromaticContact CE2-CH2 3.81Å; F365-W385 HydrophobicContact CE2-CH2 3.81Å; F365-W385 AromaticContact CE2-CZ3 3.76Å; F365-W385 HydrophobicContact CE2-CZ3 3.76Å; F365-W385 HydrophobicContact CG-CZ3 4Å; F365-W385 HydrophobicContact CZ-CH2 4.13Å; F365-W385 AromaticContact CZ-CZ3 3.73Å; F365-W385 HydrophobicContact CZ-CZ3 3.73Å
366	W	90.8	Very high	84.1	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.8	172.3	-60.4	-97.8	0	0	0	109.9	P340 I342 F347 F358 V359 K361 W364 V368 V373 P378	P340-W366 HydrophobicContact CB-CH2 3.95Å; P340-W366 HydrophobicContact CB-CZ2 4.05Å; P340-W366 HydrophobicContact CG-CH2 3.52Å; P340-W366 HydrophobicContact CG-CZ2 3.64Å; I342-W366 HydrophobicContact CB-CD2 4.41Å; I342-W366 HydrophobicContact CB-CZ2 4.38Å; I342-W366 HydrophobicContact CD1-CB 4.06Å; I342-W366 HydrophobicContact CD1-CD2 4.15Å; I342-W366 HydrophobicContact CD1-CG 3.86Å; I342-W366 HydrophobicContact CG1-CD2 4.16Å; I342-W366 HydrophobicContact CG1-CG 4.36Å; F347-W366 HydrophobicContact CD1-CZ3 4.43Å; F347-W366 HydrophobicContact CE1-CZ3 4.48Å; F358-W366 WeakPolarHBondContact CA-O 3.25Å; V359-W366 HydrophobicContact CB-CB 4.49Å; V359-W366 HydrophobicContact CB-CE3 4.24Å; V359-W366 HydrophobicContact CG1-CE3 4.19Å; V359-W366 PolarHBondContact N-O 3.33Å; V359-W366 PolarHBondContact O-N 3.14Å; K361-W366 HydrophobicContact CB-CH2 3.86Å; K361-W366 HydrophobicContact CB-CZ3 3.53Å; K361-W366 HydrophobicContact CD-CH2 4.16Å; K361-W366 HydrophobicContact CD-CZ3 4.49Å; W364-W366 HydrophobicContact CB-CH2 4.44Å; W366-V368 HydrophobicContact CB-CG2 4.26Å; W366-V373 HydrophobicContact CB-CG1 4.48Å; W366-V373 HydrophobicContact CG-CG1 4.4Å; W366-P378 HydrophobicContact CD2-CB 4.17Å; W366-P378 HydrophobicContact CG-CB 4.43Å; W366-P378 HydrophobicContact CZ2-CB 3.83Å; W366-P378 HydrophobicContact CZ2-CG 4.16Å
367	R	83.3	Confident	83.9	Confident	39 Å²	39	50.4 Å²	50.4	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.9	156.7	-76.7	170.6	77.4	-168.7	-12.1	109.6	E356 M357 F358 M374 Y377	E356-R367 IonicContact OE1-CZ 3.65Å; E356-R367 IonicContact OE1-NH2 2.85Å; E356-R367 PolarHBondContact OE1-NH2 2.97Å; E356-R367 IonicContact OE2-CZ 3.95Å; E356-R367 IonicContact OE2-NE 2.67Å; E356-R367 PolarHBondContact OE2-NE 2.98Å; E356-R367 IonicContact OE2-NH2 3.54Å; E356-R367 PolarHBondContact OE2-NH2 3.26Å; M357-R367 WeakPolarHBondContact O-CA 3.27Å; F358-R367 HydrophobicContact CD1-CG 3.71Å; F358-R367 HydrophobicContact CD2-CG 4.36Å; F358-R367 HydrophobicContact CE1-CG 3.36Å; F358-R367 HydrophobicContact CE2-CG 4.03Å; F358-R367 HydrophobicContact CG-CG 4.22Å; F358-R367 HydrophobicContact CZ-CG 3.53Å; R367-M374 HydrophobicContact CB-CB 4.38Å; R367-M374 HydrophobicContact CB-CG 4.2Å; R367-M374 HydrophobicContact CB-SD 3.69Å; R367-M374 PolarHBondContact O-N 3.02Å; R367-Y377 HydrophobicContact CB-CD2 4.34Å; R367-Y377 HydrophobicContact CB-CE1 4.22Å; R367-Y377 HydrophobicContact CB-CE2 3.87Å; R367-Y377 WeakPolarHBondContact CD-OH 3.47Å; R367-Y377 HydrophobicContact CG-CE1 4.08Å; R367-Y377 HydrophobicContact CG-CE2 4.3Å
368	V	86.8	Confident	83.8	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	-178.7	-175.8	0	0	0	0	108.7	I342 M357 V359 W366 R372 V373 F529 M530	I342-V368 HydrophobicContact CD1-CG2 3.84Å; M357-V368 HydrophobicContact CB-CB 4.26Å; M357-V368 HydrophobicContact CG-CB 4.45Å; M357-V368 PolarHBondContact N-O 2.92Å; M357-V368 PolarHBondContact O-N 2.83Å; V359-V368 HydrophobicContact CG2-CG2 3.93Å; W366-V368 HydrophobicContact CB-CG2 4.26Å; V368-R372 WeakPolarHBondContact CA-O 3.37Å; V368-V373 HydrophobicContact CG2-CG2 4.4Å; V368-F529 VanDerWaalsContact CG1-O 3.23Å; V368-F529 WeakPolarHBondContact CG1-O 3.44Å; V368-M530 HydrophobicContact CG1-SD 4.42Å; V368-M530 HydrophobicContact CG2-SD 3.98Å
369	R	78.3	Confident	82.9	Confident	150 Å²	150	51 Å²	51	57%	0.566	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	134	178.9	-173.6	175.5	178.5	-176.2	-0.7	109.2	N371 R372 M374	R369-N371 VanDerWaalsContact C-N 3.28Å; R369-N371 PolarHBondContact O-N 3.39Å; R369-R372 PolarHBondContact N-O 3.17Å; R369-R372 PolarHBondContact O-N 3.48Å; R369-R372 VanDerWaalsContact O-O 3.07Å; R369-M374 HydrophobicContact CB-CG 4.49Å
370	N	79.9	Confident	82	Confident	146 Å²	146	52.3 Å²	52.3	78%	0.781	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	47.6	178.3	-57.4	-11.2	0	0	0	112.7	R372	N370-R372 PolarHBondContact O-N 2.97Å
371	N	83.2	Confident	81.3	Confident	84 Å²	84	52.3 Å²	52.3	45%	0.449	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	23.5	-178.7	-58.8	-4.1	0	0	0	115.4	R369 D528 F529 G531	R369-N371 VanDerWaalsContact C-N 3.28Å; R369-N371 PolarHBondContact O-N 3.39Å; N371-D528 PolarHBondContact ND2-O 3.32Å; N371-D528 PolarHBondContact OD1-O 3.18Å; N371-D528 VanDerWaalsContact OD1-O 3.08Å; N371-F529 VanDerWaalsContact CA-O 3.3Å; N371-F529 WeakPolarHBondContact CA-O 3.39Å; N371-G531 WeakPolarHBondContact O-CA 3.36Å; N371-G531 PolarHBondContact O-N 3.5Å
372	R	81.7	Confident	80.4	Confident	158 Å²	158	52.8 Å²	52.8	60%	0.596	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.1	178.3	-177.5	179.1	165.6	-171.6	-7.4	110.7	V368 R369 N370 M374 D375	V368-R372 WeakPolarHBondContact CA-O 3.37Å; R369-R372 PolarHBondContact N-O 3.17Å; R369-R372 PolarHBondContact O-N 3.48Å; R369-R372 VanDerWaalsContact O-O 3.07Å; N370-R372 PolarHBondContact O-N 2.97Å; R372-M374 PolarHBondContact O-N 2.72Å; R372-D375 IonicContact NH2-OD1 2.76Å; R372-D375 PolarHBondContact NH2-OD1 3.18Å; R372-D375 IonicContact NH2-OD2 2.72Å
373	V	82.7	Confident	79.3	Confident	33 Å²	33	49.8 Å²	49.8	20%	0.2	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.3	168.3	179.1	0	0	0	0	109.5	I342 W366 V368	I342-V373 HydrophobicContact CB-CG2 4.27Å; I342-V373 HydrophobicContact CD1-CG2 3.32Å; I342-V373 HydrophobicContact CG1-CG2 4.37Å; I342-V373 HydrophobicContact CG2-CG2 3.83Å; W366-V373 HydrophobicContact CB-CG1 4.48Å; W366-V373 HydrophobicContact CG-CG1 4.4Å; V368-V373 HydrophobicContact CG2-CG2 4.4Å
374	M	74.7	Confident	78.4	Confident	39 Å²	39	49.1 Å²	49.1	19%	0.192	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.1	148.6	175.7	-69.1	-175.1	64.7	0	0	111.2	R367 R369 R372 Y377	R367-M374 HydrophobicContact CB-CB 4.38Å; R367-M374 HydrophobicContact CB-CG 4.2Å; R367-M374 HydrophobicContact CB-SD 3.69Å; R367-M374 PolarHBondContact O-N 3.02Å; R369-M374 HydrophobicContact CB-CG 4.49Å; R372-M374 PolarHBondContact O-N 2.72Å; M374-Y377 HydrophobicContact CB-CD2 3.75Å; M374-Y377 HydrophobicContact CB-CE2 3.95Å; M374-Y377 WeakPolarHBondContact O-CD2 3.49Å; M374-Y377 PolarHBondContact O-N 3.11Å
375	D	68.6	Low	77.9	Confident	110 Å²	110	48.6 Å²	48.6	59%	0.588	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	143.8	177.8	-58.7	-30.8	0	0	0	110.2	R372	R372-D375 IonicContact NH2-OD1 2.76Å; R372-D375 PolarHBondContact NH2-OD1 3.18Å; R372-D375 IonicContact NH2-OD2 2.72Å
376	G	63.6	Low	77.3	Confident	42 Å²	42	53.2 Å²	53.2	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-8.8	-177	0	0	0	0	0	115.4	M379	G376-M379 WeakPolarHBondContact O-CG 3.37Å
377	Y	75	Confident	76.7	Confident	37 Å²	37	54 Å²	54	15%	0.145	27%	0.265	C	S	.	.			trans	-96.7	153.5	176.9	-68.6	-87.4	0	0	0	112.6	F365 R367 M374 M379	F365-Y377 HydrophobicContact CD2-CD1 4.47Å; F365-Y377 AromaticContact CD2-CE1 3.96Å; F365-Y377 HydrophobicContact CD2-CE1 3.96Å; F365-Y377 HydrophobicContact CE2-CD1 4.34Å; F365-Y377 AromaticContact CE2-CE1 3.44Å; F365-Y377 HydrophobicContact CE2-CE1 3.44Å; F365-Y377 VanDerWaalsContact CE2-CE1 3.44Å; F365-Y377 AromaticContact CZ-CE1 3.78Å; F365-Y377 HydrophobicContact CZ-CE1 3.78Å; F365-Y377 WeakPolarHBondContact O-CD1 3.46Å; R367-Y377 HydrophobicContact CB-CD2 4.34Å; R367-Y377 HydrophobicContact CB-CE1 4.22Å; R367-Y377 HydrophobicContact CB-CE2 3.87Å; R367-Y377 WeakPolarHBondContact CD-OH 3.47Å; R367-Y377 HydrophobicContact CG-CE1 4.08Å; R367-Y377 HydrophobicContact CG-CE2 4.3Å; M374-Y377 HydrophobicContact CB-CD2 3.75Å; M374-Y377 HydrophobicContact CB-CE2 3.95Å; M374-Y377 WeakPolarHBondContact O-CD2 3.49Å; M374-Y377 PolarHBondContact O-N 3.11Å; Y377-M379 HydrophobicContact CD1-CB 4.16Å; Y377-M379 HydrophobicContact CD1-CE 4.2Å; Y377-M379 HydrophobicContact CD1-CG 4.09Å; Y377-M379 HydrophobicContact CE1-CB 4.21Å; Y377-M379 HydrophobicContact CE1-CE 3.35Å; Y377-M379 HydrophobicContact CE1-CG 4.16Å; Y377-M379 HydrophobicContact CE2-CE 4.2Å; Y377-M379 WeakPolarHBondContact OH-CE 3.34Å
378	P	85.1	Confident	76.7	Confident	15 Å²	15	52.4 Å²	52.4	10%	0.097	26%	0.26	C	S	.	.	S	Bend	cis	-70.5	149.4	2.4	26.9	-31.5	0	0	0	113.8	K339 W364 F365 W366	K339-P378 HydrophobicContact CB-CG 4.14Å; K339-P378 HydrophobicContact CG-CG 4.3Å; W364-P378 HydrophobicContact CB-CB 4.13Å; W364-P378 HydrophobicContact CD2-CB 4.34Å; W364-P378 HydrophobicContact CE3-CB 3.77Å; W364-P378 HydrophobicContact CE3-CG 4.06Å; W364-P378 HydrophobicContact CZ3-CG 4.45Å; F365-P378 WeakPolarHBondContact O-CA 3.22Å; W366-P378 HydrophobicContact CD2-CB 4.17Å; W366-P378 HydrophobicContact CG-CB 4.43Å; W366-P378 HydrophobicContact CZ2-CB 3.83Å; W366-P378 HydrophobicContact CZ2-CG 4.16Å
379	M	72.9	Confident	76.8	Confident	18 Å²	18	53.5 Å²	53.5	9%	0.089	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.2	169.6	-73.8	-157.3	-69.6	0	0	110.5	W364 F365 G376 Y377 Y383 F384	W364-M379 CarbonylContact C-O 3.47Å; W364-M379 VanDerWaalsContact CA-O 3.31Å; W364-M379 WeakPolarHBondContact CA-O 3.3Å; F365-M379 HydrophobicContact CD1-CB 4.29Å; F365-M379 VanDerWaalsContact CD1-O 3.26Å; F365-M379 WeakPolarHBondContact CD1-O 3.47Å; F365-M379 HydrophobicContact CE1-CB 3.74Å; F365-M379 HydrophobicContact CZ-CB 4.21Å; F365-M379 HydrophobicContact CZ-CE 3.96Å; F365-M379 PolarHBondContact N-O 2.9Å; F365-M379 PolarHBondContact O-N 3.43Å; G376-M379 WeakPolarHBondContact O-CG 3.37Å; Y377-M379 HydrophobicContact CD1-CB 4.16Å; Y377-M379 HydrophobicContact CD1-CE 4.2Å; Y377-M379 HydrophobicContact CD1-CG 4.09Å; Y377-M379 HydrophobicContact CE1-CB 4.21Å; Y377-M379 HydrophobicContact CE1-CE 3.35Å; Y377-M379 HydrophobicContact CE1-CG 4.16Å; Y377-M379 HydrophobicContact CE2-CE 4.2Å; Y377-M379 WeakPolarHBondContact OH-CE 3.34Å; M379-Y383 HydrophobicContact CE-CD1 4.4Å; M379-Y383 HydrophobicContact SD-CD1 3.57Å; M379-Y383 VanDerWaalsContact SD-CD1 3.57Å; M379-Y383 HydrophobicContact SD-CE1 3.58Å; M379-Y383 VanDerWaalsContact SD-CE1 3.58Å; M379-F384 HydrophobicContact CE-CD2 4.41Å
380	Q	76	Confident	77	Confident	28 Å²	28	49.5 Å²	49.5	13%	0.131	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.3	173.3	-70.7	-175.9	28.3	0	0	110.8	T261 Q363 W364 F365 T382 Y383	T261-Q380 HydrophobicContact CG2-CG 3.91Å; Q363-Q380 CarbonylContact O-C 3.58Å; Q363-Q380 VanDerWaalsContact O-CA 3.25Å; Q363-Q380 WeakPolarHBondContact O-CA 3.35Å; W364-Q380 HydrophobicContact CE3-CG 4.18Å; W364-Q380 HydrophobicContact CH2-CG 4.27Å; W364-Q380 HydrophobicContact CZ3-CG 4.06Å; F365-Q380 WeakPolarHBondContact CE1-O 3.38Å; Q380-T382 VanDerWaalsContact C-N 3.3Å; Q380-T382 PolarHBondContact O-N 3.12Å; Q380-Y383 WeakPolarHBondContact O-CB 3.31Å; Q380-Y383 PolarHBondContact O-N 3.15Å; Q380-Y383 VanDerWaalsContact O-N 3.13Å
381	I	77.7	Confident	77.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-42.9	-179.2	-72.6	163.1	0	0	0	111	F360 D362 Q363 F365 Y383 F384 W385 L388 P390	F360-I381 HydrophobicContact CD1-CD1 3.76Å; F360-I381 HydrophobicContact CD1-CG1 3.9Å; F360-I381 HydrophobicContact CE1-CG1 4.33Å; D362-I381 WeakPolarHBondContact O-CD1 3.47Å; Q363-I381 PolarHBondContact O-N 2.86Å; F365-I381 HydrophobicContact CB-CG1 4.01Å; F365-I381 HydrophobicContact CD1-CG1 3.9Å; F365-I381 HydrophobicContact CG-CG1 4.35Å; I381-Y383 PolarHBondContact O-N 3.14Å; I381-F384 PolarHBondContact O-N 2.7Å; I381-F384 VanDerWaalsContact O-N 3.15Å; I381-W385 HydrophobicContact CG2-CE3 4.15Å; I381-W385 PolarHBondContact O-N 3.15Å; I381-L388 HydrophobicContact CG2-CB 4.46Å; I381-L388 HydrophobicContact CG2-CD2 3.6Å; I381-L388 HydrophobicContact CG2-CG 4.27Å; I381-P390 WeakPolarHBondContact CD1-O 3.42Å
382	T	74.9	Confident	78.1	Confident	36 Å²	36	40.2 Å²	40.2	22%	0.221	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-20.4	178.8	50	0	0	0	0	113.8	Q380	Q380-T382 VanDerWaalsContact C-N 3.3Å; Q380-T382 PolarHBondContact O-N 3.12Å
383	Y	68.6	Low	78.8	Confident	27 Å²	27	34.9 Å²	34.9	11%	0.106	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-39.3	175	-175.9	-118.6	0	0	0	112.3	W95 P260 Q269 M379 Q380 I381	W95-Y383 AromaticContact CH2-CE1 3.5Å; W95-Y383 HydrophobicContact CH2-CE1 3.5Å; W95-Y383 VanDerWaalsContact CH2-CE1 3.5Å; W95-Y383 HydrophobicContact CH2-CE2 4.23Å; W95-Y383 AromaticContact CH2-CZ 3.34Å; W95-Y383 WeakPolarHBondContact CH2-OH 3.41Å; W95-Y383 HydrophobicContact CZ2-CE1 4.31Å; W95-Y383 HydrophobicContact CZ3-CE1 4.36Å; W95-Y383 HydrophobicContact CZ3-CE2 4.45Å; W95-Y383 AromaticContact CZ3-CZ 3.75Å; W95-Y383 WeakPolarHBondContact CZ3-OH 3.45Å; P260-Y383 HydrophobicContact CB-CE1 4.29Å; Q269-Y383 HydrophobicContact CG-CD2 3.64Å; Q269-Y383 HydrophobicContact CG-CE2 3.67Å; Q269-Y383 VanDerWaalsContact NE2-CE2 3.32Å; M379-Y383 HydrophobicContact CE-CD1 4.4Å; M379-Y383 HydrophobicContact SD-CD1 3.57Å; M379-Y383 VanDerWaalsContact SD-CD1 3.57Å; M379-Y383 HydrophobicContact SD-CE1 3.58Å; M379-Y383 VanDerWaalsContact SD-CE1 3.58Å; Q380-Y383 WeakPolarHBondContact O-CB 3.31Å; Q380-Y383 PolarHBondContact O-N 3.15Å; Q380-Y383 VanDerWaalsContact O-N 3.13Å; I381-Y383 PolarHBondContact O-N 3.14Å
384	F	66.9	Low	79.5	Confident	49 Å²	49	33.3 Å²	33.3	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-97.7	-33.7	-174.8	-147	-103.7	0	0	0	112.2	F365 M379 I381 T417	F365-F384 HydrophobicContact CE1-CB 3.99Å; F365-F384 HydrophobicContact CZ-CB 3.75Å; F365-F384 HydrophobicContact CZ-CD2 4.47Å; F365-F384 HydrophobicContact CZ-CG 4.03Å; M379-F384 HydrophobicContact CE-CD2 4.41Å; I381-F384 PolarHBondContact O-N 2.7Å; I381-F384 VanDerWaalsContact O-N 3.15Å; F384-T417 HydrophobicContact CD1-CG2 3.47Å; F384-T417 VanDerWaalsContact CD1-CG2 3.47Å; F384-T417 HydrophobicContact CD2-CG2 4.49Å; F384-T417 HydrophobicContact CE1-CG2 3.18Å; F384-T417 HydrophobicContact CE2-CG2 4.27Å; F384-T417 HydrophobicContact CG-CG2 4.13Å; F384-T417 HydrophobicContact CZ-CG2 3.62Å; F384-T417 WeakPolarHBondContact O-CB 3Å
385	W	76.9	Confident	80.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-122.8	81.4	179.4	-61.8	-73.4	0	0	0	110.5	F358 F360 F365 I381 G387 L388 F403 F405 F414 D416	F358-W385 AromaticContact CD1-CH2 3.68Å; F358-W385 HydrophobicContact CD1-CH2 3.68Å; F358-W385 HydrophobicContact CD1-CZ2 4.38Å; F358-W385 AromaticContact CE1-CH2 3.72Å; F358-W385 HydrophobicContact CE1-CH2 3.72Å; F358-W385 HydrophobicContact CE1-CZ2 4.14Å; F360-W385 HydrophobicContact CE1-CE3 4.34Å; F360-W385 AromaticContact CE1-CH2 3.92Å; F360-W385 HydrophobicContact CE1-CH2 3.92Å; F360-W385 AromaticContact CE1-CZ3 3.58Å; F360-W385 HydrophobicContact CE1-CZ3 3.58Å; F360-W385 AromaticContact CZ-CH2 3.85Å; F360-W385 HydrophobicContact CZ-CH2 3.85Å; F360-W385 HydrophobicContact CZ-CZ3 4.01Å; F365-W385 AromaticContact CD1-CZ3 3.97Å; F365-W385 HydrophobicContact CD1-CZ3 3.97Å; F365-W385 HydrophobicContact CD2-CH2 4.09Å; F365-W385 AromaticContact CD2-CZ3 3.92Å; F365-W385 HydrophobicContact CD2-CZ3 3.92Å; F365-W385 HydrophobicContact CE1-CE3 4.48Å; F365-W385 AromaticContact CE1-CZ3 3.85Å; F365-W385 HydrophobicContact CE1-CZ3 3.85Å; F365-W385 AromaticContact CE2-CH2 3.81Å; F365-W385 HydrophobicContact CE2-CH2 3.81Å; F365-W385 AromaticContact CE2-CZ3 3.76Å; F365-W385 HydrophobicContact CE2-CZ3 3.76Å; F365-W385 HydrophobicContact CG-CZ3 4Å; F365-W385 HydrophobicContact CZ-CH2 4.13Å; F365-W385 AromaticContact CZ-CZ3 3.73Å; F365-W385 HydrophobicContact CZ-CZ3 3.73Å; I381-W385 HydrophobicContact CG2-CE3 4.15Å; I381-W385 PolarHBondContact O-N 3.15Å; W385-G387 PolarHBondContact O-N 3.48Å; W385-L388 HydrophobicContact CB-CB 3.97Å; W385-L388 HydrophobicContact CB-CD2 3.92Å; W385-L388 HydrophobicContact CG-CD2 4.37Å; W385-L388 VanDerWaalsContact O-CB 3.29Å; W385-L388 WeakPolarHBondContact O-CB 3.04Å; W385-L388 PolarHBondContact O-N 2.88Å; W385-F403 HydrophobicContact CZ2-CD2 4.45Å; W385-F403 AromaticContact NE1-CD2 3.85Å; W385-F405 AromaticContact CD1-CE2 3.99Å; W385-F405 HydrophobicContact CD2-CE1 4.48Å; W385-F405 HydrophobicContact CD2-CE2 4.46Å; W385-F405 AromaticContact CD2-CZ 3.81Å; W385-F405 HydrophobicContact CD2-CZ 3.81Å; W385-F405 AromaticContact CE2-CZ 3.58Å; W385-F405 HydrophobicContact CE3-CZ 4.41Å; W385-F405 HydrophobicContact CG-CE2 4.29Å; W385-F405 HydrophobicContact CG-CZ 4.1Å; W385-F405 AromaticContact CZ2-CZ 3.96Å; W385-F405 HydrophobicContact CZ2-CZ 3.96Å; W385-F405 AromaticContact NE1-CE2 3.96Å; W385-F405 AromaticContact NE1-CZ 3.76Å; W385-F414 HydrophobicContact CB-CD1 4.26Å; W385-F414 HydrophobicContact CB-CE1 3.75Å; W385-F414 HydrophobicContact CB-CE2 4.29Å; W385-F414 HydrophobicContact CB-CZ 3.77Å; W385-F414 AromaticContact CD1-CD1 3.54Å; W385-F414 AromaticContact CD1-CE1 3.93Å; W385-F414 AromaticContact CD1-CG 3.74Å; W385-F414 HydrophobicContact CG-CD1 4.3Å; W385-F414 HydrophobicContact CG-CE1 4.27Å; W385-D416 PolarHBondContact NE1-O 2.92Å
386	R	75.1	Confident	81.8	Confident	96 Å²	96	26.7 Å²	26.7	36%	0.362	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	133.6	176.7	-65.3	-178	179	-177.1	-4	110.1	Y268 F414	Y268-R386 PolarHBondContact O-NH2 2.69Å; Y268-R386 VanDerWaalsContact O-NH2 3.13Å; R386-F414 WeakPolarHBondContact O-CZ 3.44Å
387	G	79.2	Confident	83.1	Confident	21 Å²	21	26.8 Å²	26.8	22%	0.216	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-6.3	-175.9	0	0	0	0	0	115.9	H235 W385 W412	H235-G387 WeakPolarHBondContact CD2-CA 3.17Å; H235-G387 PolarHBondContact CD2-N 2.92Å; H235-G387 WeakPolarHBondContact NE2-CA 3.13Å; H235-G387 PolarHBondContact NE2-N 3.42Å; W385-G387 PolarHBondContact O-N 3.48Å; G387-W412 PolarHBondContact O-NE1 2.87Å
388	L	83.7	Confident	84	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	-83.3	140.1	173.2	-164.1	68.1	0	0	0	110.2	I381 W385 I392 F405 W412 F414	I381-L388 HydrophobicContact CG2-CB 4.46Å; I381-L388 HydrophobicContact CG2-CD2 3.6Å; I381-L388 HydrophobicContact CG2-CG 4.27Å; W385-L388 HydrophobicContact CB-CB 3.97Å; W385-L388 HydrophobicContact CB-CD2 3.92Å; W385-L388 HydrophobicContact CG-CD2 4.37Å; W385-L388 VanDerWaalsContact O-CB 3.29Å; W385-L388 WeakPolarHBondContact O-CB 3.04Å; W385-L388 PolarHBondContact O-N 2.88Å; L388-I392 HydrophobicContact CD1-CG2 4.2Å; L388-I392 HydrophobicContact CD2-CG2 3.87Å; L388-I392 HydrophobicContact CG-CG2 3.96Å; L388-F405 HydrophobicContact CD1-CB 3.51Å; L388-F405 HydrophobicContact CD1-CD1 4.34Å; L388-F405 HydrophobicContact CD1-CD2 4.21Å; L388-F405 HydrophobicContact CD1-CG 3.79Å; L388-F405 HydrophobicContact CD2-CB 4.32Å; L388-F405 HydrophobicContact CD2-CD1 3.6Å; L388-F405 HydrophobicContact CD2-CD2 4.19Å; L388-F405 HydrophobicContact CD2-CE1 3.81Å; L388-F405 HydrophobicContact CD2-CE2 4.38Å; L388-F405 HydrophobicContact CD2-CG 3.79Å; L388-F405 HydrophobicContact CD2-CZ 4.21Å; L388-W412 HydrophobicContact CD1-CB 3.89Å; L388-W412 HydrophobicContact CD1-CD2 3.75Å; L388-W412 HydrophobicContact CD1-CE3 4.01Å; L388-W412 HydrophobicContact CD1-CG 3.7Å; L388-F414 HydrophobicContact CB-CE2 4.19Å; L388-F414 HydrophobicContact CB-CZ 4.14Å; L388-F414 HydrophobicContact CD1-CE2 4Å
389	P	88.7	Confident	84.3	Confident	29 Å²	29	27.5 Å²	27.5	19%	0.188	15%	0.151	C	C	.	.			trans	-60.1	155.7	176.2	24	-34.7	0	0	0	111.2	S391 K407 W412	P389-S391 PolarHBondContact O-N 2.99Å; P389-S391 VanDerWaalsContact O-N 3.16Å; P389-K407 HydrophobicContact CB-CG 4.36Å; P389-K407 HydrophobicContact CG-CB 3.78Å; P389-K407 HydrophobicContact CG-CG 3.85Å; P389-W412 VanDerWaalsContact CD-CZ2 3.42Å; P389-W412 HydrophobicContact CG-CH2 3.76Å; P389-W412 HydrophobicContact CG-CZ2 3.97Å; P389-W412 HydrophobicContact CG-CZ3 4.13Å
390	P	81.5	Confident	85.2	Confident	66 Å²	66	31.7 Å²	31.7	43%	0.429	17%	0.174	S	C	.	.	S	Bend	trans	-54.2	-41	-177.9	-27.2	34.3	0	0	0	112.3	D362 Q363 I381	D362-P390 CarbonylContact O-C 3.54Å; Q363-P390 VanDerWaalsContact CA-O 3.22Å; Q363-P390 WeakPolarHBondContact CA-O 3.34Å; Q363-P390 HydrophobicContact CB-CB 3.97Å; I381-P390 WeakPolarHBondContact CD1-O 3.42Å
391	S	92.5	Very high	85.7	Confident	33 Å²	33	30.8 Å²	30.8	23%	0.231	17%	0.172	C	C	.	.	S	Bend	trans	-118	149.7	175.3	64.8	0	0	0	0	112.2	D362 P389 K407	D362-S391 VanDerWaalsContact O-CA 3.3Å; D362-S391 WeakPolarHBondContact O-CA 3.37Å; D362-S391 WeakPolarHBondContact O-CB 3.29Å; P389-S391 PolarHBondContact O-N 2.99Å; P389-S391 VanDerWaalsContact O-N 3.16Å; S391-K407 WeakPolarHBondContact O-CD 3.26Å; S391-K407 VanDerWaalsContact O-CE 3.24Å; S391-K407 WeakPolarHBondContact O-CE 3.39Å; S391-K407 WeakPolarHBondContact OG-CE 3.5Å; S391-K407 PolarHBondContact OG-NZ 3.22Å
392	I	94.7	Very high	86.4	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.178	C	C	.	.			trans	-123.8	156.2	178.9	59.4	169.1	0	0	0	110.9	N348 T349 F360 L388 V395 F405	N348-I392 WeakPolarHBondContact CB-O 3.35Å; T349-I392 HydrophobicContact CG2-CD1 3.88Å; T349-I392 HydrophobicContact CG2-CG1 4.03Å; F360-I392 HydrophobicContact CB-CD1 4.11Å; F360-I392 HydrophobicContact CB-CG1 4.13Å; F360-I392 HydrophobicContact CD1-CD1 3.52Å; F360-I392 HydrophobicContact CD1-CG1 4.15Å; F360-I392 HydrophobicContact CD2-CD1 3.97Å; F360-I392 HydrophobicContact CE1-CD1 3.83Å; F360-I392 HydrophobicContact CE2-CD1 4.24Å; F360-I392 HydrophobicContact CG-CD1 3.61Å; F360-I392 HydrophobicContact CG-CG1 4.16Å; F360-I392 HydrophobicContact CZ-CD1 4.18Å; L388-I392 HydrophobicContact CD1-CG2 4.2Å; L388-I392 HydrophobicContact CD2-CG2 3.87Å; L388-I392 HydrophobicContact CG-CG2 3.96Å; I392-V395 HydrophobicContact CD1-CB 4.2Å; I392-V395 HydrophobicContact CD1-CG1 4.17Å; I392-F405 HydrophobicContact CD1-CD1 3.6Å; I392-F405 HydrophobicContact CD1-CE1 3.97Å; I392-F405 HydrophobicContact CG2-CD1 4.29Å
393	D	95.8	Very high	87.2	Confident	47 Å²	47	30.6 Å²	30.6	25%	0.251	17%	0.169	S	C	.	.	S	Bend	trans	-99.2	-39	-179	-56.4	-25.7	0	0	0	111.7	T349 F406 K407 G408	T349-D393 WeakPolarHBondContact CB-O 3.47Å; D393-F406 PolarHBondContact N-O 3.19Å; D393-K407 VanDerWaalsContact OD1-CD 3.29Å; D393-K407 WeakPolarHBondContact OD1-CD 3.38Å; D393-K407 IonicContact OD1-NZ 2.7Å; D393-K407 PolarHBondContact OD1-NZ 3.32Å; D393-K407 WeakPolarHBondContact OD2-CA 3.41Å; D393-G408 PolarHBondContact OD2-N 3.18Å
394	A	96.9	Very high	88.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.8	177.4	0	0	0	0	0	111.5	F406 I439	A394-F406 HydrophobicContact CB-CB 4.34Å; A394-F406 HydrophobicContact CB-CD2 4.05Å; A394-F406 PolarHBondContact O-N 3Å; A394-I439 HydrophobicContact CB-CG2 3.97Å
395	V	96.6	Very high	89.9	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.4	174.5	59.5	0	0	0	0	111	T349 A351 L353 F360 I392 V404 F405	T349-V395 HydrophobicContact CG2-CG1 4.06Å; A351-V395 HydrophobicContact CB-CG1 3.78Å; A351-V395 WeakPolarHBondContact CB-O 3.26Å; L353-V395 HydrophobicContact CD1-CG2 4.14Å; L353-V395 HydrophobicContact CD2-CG2 4.17Å; F360-V395 HydrophobicContact CD2-CG1 4.17Å; F360-V395 HydrophobicContact CE2-CG1 3.73Å; F360-V395 HydrophobicContact CZ-CG1 4.39Å; I392-V395 HydrophobicContact CD1-CB 4.2Å; I392-V395 HydrophobicContact CD1-CG1 4.17Å; V395-V404 VanDerWaalsContact CA-O 3.3Å; V395-V404 WeakPolarHBondContact CA-O 3.2Å; V395-F405 HydrophobicContact CB-CD1 3.76Å; V395-F405 HydrophobicContact CB-CE1 4.04Å; V395-F405 HydrophobicContact CB-CG 4.45Å; V395-F405 HydrophobicContact CG2-CD1 3.45Å; V395-F405 VanDerWaalsContact CG2-CD1 3.45Å; V395-F405 HydrophobicContact CG2-CD2 4.39Å; V395-F405 HydrophobicContact CG2-CE1 3.43Å; V395-F405 VanDerWaalsContact CG2-CE1 3.43Å; V395-F405 HydrophobicContact CG2-CE2 4.37Å; V395-F405 HydrophobicContact CG2-CG 3.96Å; V395-F405 HydrophobicContact CG2-CZ 3.91Å
396	Y	95.1	Very high	90.9	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.027	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163.4	169.6	74.8	-72.5	0	0	0	111.7	N398 F403 V404 F406 A442 W444 T451 F453 E464	Y396-N398 HydrophobicContact CD2-CB 4.4Å; Y396-N398 HydrophobicContact CE2-CB 3.64Å; Y396-F403 WeakPolarHBondContact O-CA 3.25Å; Y396-V404 HydrophobicContact CD1-CB 3.93Å; Y396-V404 HydrophobicContact CE1-CB 3.41Å; Y396-V404 VanDerWaalsContact CE1-CB 3.41Å; Y396-V404 HydrophobicContact CE1-CG1 3.74Å; Y396-V404 HydrophobicContact CE1-CG2 3.95Å; Y396-V404 HydrophobicContact CE2-CG2 4.45Å; Y396-V404 PolarHBondContact N-O 3.13Å; Y396-V404 VanDerWaalsContact N-O 3.16Å; Y396-V404 PolarHBondContact O-N 3.19Å; Y396-F406 AromaticContact CD1-CE2 3.78Å; Y396-F406 HydrophobicContact CD1-CE2 3.78Å; Y396-F406 HydrophobicContact CD1-CZ 4.48Å; Y396-F406 AromaticContact CE1-CE2 3.55Å; Y396-F406 HydrophobicContact CE1-CE2 3.55Å; Y396-F406 AromaticContact CE1-CZ 3.8Å; Y396-F406 HydrophobicContact CE1-CZ 3.8Å; Y396-A442 HydrophobicContact CD1-CB 3.55Å; Y396-A442 HydrophobicContact CE1-CB 4.29Å; Y396-A442 HydrophobicContact CG-CB 4.02Å; Y396-W444 HydrophobicContact CD2-CB 4.07Å; Y396-T451 HydrophobicContact CD2-CG2 4.01Å; Y396-T451 HydrophobicContact CE1-CG2 4.29Å; Y396-T451 HydrophobicContact CE2-CG2 3.54Å; Y396-F453 HydrophobicContact CD1-CE1 4.36Å; Y396-F453 AromaticContact CE1-CE1 3.75Å; Y396-F453 HydrophobicContact CE1-CE1 3.75Å; Y396-F453 HydrophobicContact CE1-CZ 4.22Å; Y396-E464 PolarHBondContact OH-OE1 3.11Å
397	E	92.2	Very high	91.8	Very high	44 Å²	44	25.4 Å²	25.4	21%	0.206	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.3	168.7	-175.9	173.8	180	0	0	108.8	L353 R354 N402 F403 W444	L353-E397 HydrophobicContact CD2-CB 4.09Å; R354-E397 IonicContact CZ-OE1 2.85Å; R354-E397 PolarHBondContact N-OE2 3.11Å; R354-E397 IonicContact NE-OE1 3.08Å; R354-E397 IonicContact NH1-OE1 3.99Å; R354-E397 PolarHBondContact NH1-OE1 2.9Å; E397-N402 CarbonylContact C-O 3.5Å; E397-N402 WeakPolarHBondContact CA-O 3.39Å; E397-F403 HydrophobicContact CB-CD1 4.21Å; E397-F403 HydrophobicContact CG-CD1 4.15Å; E397-F403 HydrophobicContact CG-CE1 4.22Å; E397-W444 WeakPolarHBondContact O-CB 3.29Å
398	N	93.3	Very high	92.5	Very high	12 Å²	12	26 Å²	26	6%	0.064	16%	0.156	C	C	.	.			trans	-81.2	179.2	-177.8	83.5	-19.5	0	0	0	112.4	Y396 D400 G401 N402 V404	Y396-N398 HydrophobicContact CD2-CB 4.4Å; Y396-N398 HydrophobicContact CE2-CB 3.64Å; N398-D400 PolarHBondContact ND2-OD2 2.87Å; N398-D400 PolarHBondContact O-N 3.26Å; N398-D400 VanDerWaalsContact O-N 3.17Å; N398-D400 PolarHBondContact OD1-N 2.91Å; N398-D400 VanDerWaalsContact OD1-N 3.1Å; N398-G401 PolarHBondContact O-N 2.82Å; N398-G401 PolarHBondContact OD1-N 2.95Å; N398-N402 PolarHBondContact N-O 3.15Å; N398-N402 WeakPolarHBondContact OD1-CB 3.44Å; N398-N402 PolarHBondContact OD1-N 2.96Å; N398-N402 PolarHBondContact OD1-O 3.18Å; N398-V404 HydrophobicContact CB-CG2 4.1Å
399	S	91.9	Very high	92.9	Very high	55 Å²	55	30 Å²	30	39%	0.385	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.1	179.1	57.3	0	0	0	0	114.3	G401	S399-G401 VanDerWaalsContact C-N 3.25Å; S399-G401 PolarHBondContact O-N 3.06Å
400	D	90.8	Very high	93.2	Very high	107 Å²	107	32.8 Å²	32.8	57%	0.572	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2	-179.4	-48.8	-41	0	0	0	112.3	N398 N402	N398-D400 PolarHBondContact ND2-OD2 2.87Å; N398-D400 PolarHBondContact O-N 3.26Å; N398-D400 VanDerWaalsContact O-N 3.17Å; N398-D400 PolarHBondContact OD1-N 2.91Å; N398-D400 VanDerWaalsContact OD1-N 3.1Å; D400-N402 VanDerWaalsContact C-N 3.34Å
401	G	86.3	Confident	93.8	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	17%	0.168	C	C	.	.	S	Bend	trans	75.3	20.9	-175.5	0	0	0	0	0	113.8	R354 N398 S399	R354-G401 PolarHBondContact NH1-O 2.87Å; R354-G401 PolarHBondContact NH2-O 3.38Å; N398-G401 PolarHBondContact O-N 2.82Å; N398-G401 PolarHBondContact OD1-N 2.95Å; S399-G401 VanDerWaalsContact C-N 3.25Å; S399-G401 PolarHBondContact O-N 3.06Å
402	N	92.7	Very high	94	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.139	16%	0.161	C	C	.	.			trans	-91.3	145.9	172.4	-61.7	-44.3	0	0	0	110.1	E397 N398 D400 V413 F414	E397-N402 CarbonylContact C-O 3.5Å; E397-N402 WeakPolarHBondContact CA-O 3.39Å; N398-N402 PolarHBondContact N-O 3.15Å; N398-N402 WeakPolarHBondContact OD1-CB 3.44Å; N398-N402 PolarHBondContact OD1-N 2.96Å; N398-N402 PolarHBondContact OD1-O 3.18Å; D400-N402 VanDerWaalsContact C-N 3.34Å; N402-V413 HydrophobicContact CB-CG1 3.68Å; N402-F414 CarbonylContact C-O 3.45Å; N402-F414 WeakPolarHBondContact CA-O 3.15Å
403	F	92.5	Very high	94.1	Very high	7 Å²	7	30 Å²	30	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.5	173.4	-50.9	-23.7	0	0	0	109.4	L353 R354 W385 Y396 E397 F405 V413 F414 D416	L353-F403 HydrophobicContact CB-CD1 4.27Å; L353-F403 HydrophobicContact CB-CE1 3.9Å; L353-F403 HydrophobicContact CB-CZ 4.06Å; L353-F403 HydrophobicContact CD1-CD2 4.26Å; L353-F403 HydrophobicContact CD1-CG 4.27Å; L353-F403 HydrophobicContact CD2-CD1 4Å; L353-F403 HydrophobicContact CD2-CE1 4.45Å; L353-F403 HydrophobicContact CD2-CG 4.38Å; L353-F403 HydrophobicContact CG-CD1 4.48Å; R354-F403 HydrophobicContact CG-CE1 3.79Å; R354-F403 HydrophobicContact CG-CZ 3.53Å; W385-F403 HydrophobicContact CZ2-CD2 4.45Å; W385-F403 AromaticContact NE1-CD2 3.85Å; Y396-F403 WeakPolarHBondContact O-CA 3.25Å; E397-F403 HydrophobicContact CB-CD1 4.21Å; E397-F403 HydrophobicContact CG-CD1 4.15Å; E397-F403 HydrophobicContact CG-CE1 4.22Å; F403-F405 HydrophobicContact CB-CD2 4.27Å; F403-F405 HydrophobicContact CB-CE2 3.58Å; F403-F405 HydrophobicContact CB-CZ 4.12Å; F403-F405 HydrophobicContact CD2-CE2 4.43Å; F403-F405 HydrophobicContact CD2-CZ 4.49Å; F403-V413 CarbonylContact O-C 3.52Å; F403-V413 WeakPolarHBondContact O-CA 3.22Å; F403-F414 HydrophobicContact CB-CB 4.42Å; F403-F414 PolarHBondContact N-O 3.24Å; F403-F414 PolarHBondContact O-N 3.3Å; F403-D416 VanDerWaalsContact CD2-O 3.25Å; F403-D416 WeakPolarHBondContact CD2-O 3.22Å; F403-D416 VanDerWaalsContact CE2-O 3.22Å; F403-D416 WeakPolarHBondContact CE2-O 3.33Å
404	V	96.2	Very high	93.8	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.5	179.9	-172.4	0	0	0	0	108.2	V395 Y396 N398 F406 Y411 W412 V413	V395-V404 VanDerWaalsContact CA-O 3.3Å; V395-V404 WeakPolarHBondContact CA-O 3.2Å; Y396-V404 HydrophobicContact CD1-CB 3.93Å; Y396-V404 HydrophobicContact CE1-CB 3.41Å; Y396-V404 VanDerWaalsContact CE1-CB 3.41Å; Y396-V404 HydrophobicContact CE1-CG1 3.74Å; Y396-V404 HydrophobicContact CE1-CG2 3.95Å; Y396-V404 HydrophobicContact CE2-CG2 4.45Å; Y396-V404 PolarHBondContact N-O 3.13Å; Y396-V404 VanDerWaalsContact N-O 3.16Å; Y396-V404 PolarHBondContact O-N 3.19Å; N398-V404 HydrophobicContact CB-CG2 4.1Å; V404-F406 HydrophobicContact CG1-CE1 4.25Å; V404-F406 HydrophobicContact CG1-CE2 3.99Å; V404-F406 HydrophobicContact CG1-CZ 3.68Å; V404-Y411 HydrophobicContact CG1-CD2 3.93Å; V404-W412 CarbonylContact C-O 3.44Å; V404-W412 WeakPolarHBondContact CA-O 3.32Å; V404-V413 HydrophobicContact CG1-CG2 4.23Å; V404-V413 HydrophobicContact CG2-CG2 4.16Å
405	F	96.2	Very high	93.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.7	-178.6	-64.1	-92.5	0	0	0	110.7	F360 W385 L388 I392 V395 F403 Y411 W412 F414	F360-F405 HydrophobicContact CE1-CE1 4.15Å; F360-F405 AromaticContact CZ-CE1 4Å; F360-F405 HydrophobicContact CZ-CE1 4Å; W385-F405 AromaticContact CD1-CE2 3.99Å; W385-F405 HydrophobicContact CD2-CE1 4.48Å; W385-F405 HydrophobicContact CD2-CE2 4.46Å; W385-F405 AromaticContact CD2-CZ 3.81Å; W385-F405 HydrophobicContact CD2-CZ 3.81Å; W385-F405 AromaticContact CE2-CZ 3.58Å; W385-F405 HydrophobicContact CE3-CZ 4.41Å; W385-F405 HydrophobicContact CG-CE2 4.29Å; W385-F405 HydrophobicContact CG-CZ 4.1Å; W385-F405 AromaticContact CZ2-CZ 3.96Å; W385-F405 HydrophobicContact CZ2-CZ 3.96Å; W385-F405 AromaticContact NE1-CE2 3.96Å; W385-F405 AromaticContact NE1-CZ 3.76Å; L388-F405 HydrophobicContact CD1-CB 3.51Å; L388-F405 HydrophobicContact CD1-CD1 4.34Å; L388-F405 HydrophobicContact CD1-CD2 4.21Å; L388-F405 HydrophobicContact CD1-CG 3.79Å; L388-F405 HydrophobicContact CD2-CB 4.32Å; L388-F405 HydrophobicContact CD2-CD1 3.6Å; L388-F405 HydrophobicContact CD2-CD2 4.19Å; L388-F405 HydrophobicContact CD2-CE1 3.81Å; L388-F405 HydrophobicContact CD2-CE2 4.38Å; L388-F405 HydrophobicContact CD2-CG 3.79Å; L388-F405 HydrophobicContact CD2-CZ 4.21Å; I392-F405 HydrophobicContact CD1-CD1 3.6Å; I392-F405 HydrophobicContact CD1-CE1 3.97Å; I392-F405 HydrophobicContact CG2-CD1 4.29Å; V395-F405 HydrophobicContact CB-CD1 3.76Å; V395-F405 HydrophobicContact CB-CE1 4.04Å; V395-F405 HydrophobicContact CB-CG 4.45Å; V395-F405 HydrophobicContact CG2-CD1 3.45Å; V395-F405 VanDerWaalsContact CG2-CD1 3.45Å; V395-F405 HydrophobicContact CG2-CD2 4.39Å; V395-F405 HydrophobicContact CG2-CE1 3.43Å; V395-F405 VanDerWaalsContact CG2-CE1 3.43Å; V395-F405 HydrophobicContact CG2-CE2 4.37Å; V395-F405 HydrophobicContact CG2-CG 3.96Å; V395-F405 HydrophobicContact CG2-CZ 3.91Å; F403-F405 HydrophobicContact CB-CD2 4.27Å; F403-F405 HydrophobicContact CB-CE2 3.58Å; F403-F405 HydrophobicContact CB-CZ 4.12Å; F403-F405 HydrophobicContact CD2-CE2 4.43Å; F403-F405 HydrophobicContact CD2-CZ 4.49Å; F405-Y411 CarbonylContact O-C 3.6Å; F405-Y411 WeakPolarHBondContact O-CA 3.5Å; F405-Y411 WeakPolarHBondContact O-CB 3.36Å; F405-W412 HydrophobicContact CB-CB 4.44Å; F405-W412 PolarHBondContact N-O 3.19Å; F405-W412 PolarHBondContact O-N 3.18Å; F405-F414 AromaticContact CD2-CD2 3.66Å; F405-F414 HydrophobicContact CD2-CD2 3.66Å; F405-F414 HydrophobicContact CD2-CE2 4.25Å; F405-F414 HydrophobicContact CD2-CG 4.46Å; F405-F414 HydrophobicContact CE2-CB 4.16Å; F405-F414 AromaticContact CE2-CD2 3.78Å; F405-F414 HydrophobicContact CE2-CD2 3.78Å; F405-F414 HydrophobicContact CE2-CG 4.18Å
406	F	96.6	Very high	92.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.2	178.3	-61	-80.1	0	0	0	111.5	D393 A394 Y396 V404 Y411 L427 L430 I439 A442 F453	D393-F406 PolarHBondContact N-O 3.19Å; A394-F406 HydrophobicContact CB-CB 4.34Å; A394-F406 HydrophobicContact CB-CD2 4.05Å; A394-F406 PolarHBondContact O-N 3Å; Y396-F406 AromaticContact CD1-CE2 3.78Å; Y396-F406 HydrophobicContact CD1-CE2 3.78Å; Y396-F406 HydrophobicContact CD1-CZ 4.48Å; Y396-F406 AromaticContact CE1-CE2 3.55Å; Y396-F406 HydrophobicContact CE1-CE2 3.55Å; Y396-F406 AromaticContact CE1-CZ 3.8Å; Y396-F406 HydrophobicContact CE1-CZ 3.8Å; V404-F406 HydrophobicContact CG1-CE1 4.25Å; V404-F406 HydrophobicContact CG1-CE2 3.99Å; V404-F406 HydrophobicContact CG1-CZ 3.68Å; F406-Y411 HydrophobicContact CE1-CG 4.24Å; F406-L427 HydrophobicContact CD1-CD1 3.73Å; F406-L427 HydrophobicContact CE1-CD1 3.59Å; F406-L430 HydrophobicContact CE1-CD2 4.13Å; F406-L430 HydrophobicContact CZ-CD2 4.21Å; F406-I439 HydrophobicContact CD1-CD1 3.74Å; F406-I439 HydrophobicContact CD2-CD1 4.32Å; F406-I439 HydrophobicContact CE1-CD1 3.52Å; F406-I439 HydrophobicContact CE2-CD1 4.1Å; F406-I439 HydrophobicContact CG-CB 4.37Å; F406-I439 HydrophobicContact CG-CD1 4.13Å; F406-I439 HydrophobicContact CZ-CD1 3.7Å; F406-A442 HydrophobicContact CE2-CB 4.19Å; F406-F453 AromaticContact CE2-CE1 3.99Å; F406-F453 HydrophobicContact CE2-CE1 3.99Å; F406-F453 AromaticContact CZ-CE1 3.77Å; F406-F453 HydrophobicContact CZ-CE1 3.77Å; F406-F453 HydrophobicContact CZ-CZ 4.19Å
407	K	95	Very high	91.2	Very high	57 Å²	57	38.5 Å²	38.5	25%	0.248	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	117.7	168.5	-175.6	55.7	167.1	-171	0	109.8	P389 S391 D393 N409 K410 W412	P389-K407 HydrophobicContact CB-CG 4.36Å; P389-K407 HydrophobicContact CG-CB 3.78Å; P389-K407 HydrophobicContact CG-CG 3.85Å; S391-K407 WeakPolarHBondContact O-CD 3.26Å; S391-K407 VanDerWaalsContact O-CE 3.24Å; S391-K407 WeakPolarHBondContact O-CE 3.39Å; S391-K407 WeakPolarHBondContact OG-CE 3.5Å; S391-K407 PolarHBondContact OG-NZ 3.22Å; D393-K407 VanDerWaalsContact OD1-CD 3.29Å; D393-K407 WeakPolarHBondContact OD1-CD 3.38Å; D393-K407 IonicContact OD1-NZ 2.7Å; D393-K407 PolarHBondContact OD1-NZ 3.32Å; D393-K407 WeakPolarHBondContact OD2-CA 3.41Å; K407-N409 PolarHBondContact O-N 2.95Å; K407-K410 PolarHBondContact N-O 2.97Å; K407-K410 PolarHBondContact O-N 3.3Å; K407-W412 HydrophobicContact CB-CH2 4.01Å; K407-W412 HydrophobicContact CB-CZ3 3.66Å
408	G	93.1	Very high	90.5	Very high	34 Å²	34	40.6 Å²	40.6	35%	0.351	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-122.1	-177	0	0	0	0	0	111.7	D393 G438	D393-G408 PolarHBondContact OD2-N 3.18Å; G408-G438 WeakPolarHBondContact O-CA 3.22Å
409	N	91.9	Very high	90.2	Very high	91 Å²	91	42.5 Å²	42.5	49%	0.487	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.9	178.9	72.1	-35.9	0	0	0	113.7	K407 D426 L427	K407-N409 PolarHBondContact O-N 2.95Å; N409-D426 CarbonylContact O-C 3.57Å; N409-D426 WeakPolarHBondContact O-CA 3.36Å; N409-L427 WeakPolarHBondContact O-CB 3.14Å; N409-L427 PolarHBondContact O-N 2.8Å
410	K	94.5	Very high	90.2	Very high	86 Å²	86	42.6 Å²	42.6	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	156.6	-178.9	-66.4	-169.8	179.2	-168.3	0	112	K407 W412 P424 H425	K407-K410 PolarHBondContact N-O 2.97Å; K407-K410 PolarHBondContact O-N 3.3Å; K410-W412 HydrophobicContact CB-CH2 3.59Å; K410-W412 HydrophobicContact CB-CZ2 4.42Å; K410-W412 HydrophobicContact CB-CZ3 3.69Å; K410-W412 HydrophobicContact CD-CH2 4.38Å; K410-P424 HydrophobicContact CB-CB 4.41Å; K410-P424 HydrophobicContact CD-CB 4.31Å; K410-P424 HydrophobicContact CD-CG 4.34Å; K410-H425 WeakPolarHBondContact CA-O 3.47Å
411	Y	96	Very high	90.3	Very high	11 Å²	11	43.1 Å²	43.1	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.7	172.1	78.1	-72.7	0	0	0	112.1	V404 F405 F406 V413 Y423 P424 H425 L430	V404-Y411 HydrophobicContact CG1-CD2 3.93Å; F405-Y411 CarbonylContact O-C 3.6Å; F405-Y411 WeakPolarHBondContact O-CA 3.5Å; F405-Y411 WeakPolarHBondContact O-CB 3.36Å; F406-Y411 HydrophobicContact CE1-CG 4.24Å; Y411-V413 HydrophobicContact CD2-CG2 4.08Å; Y411-V413 HydrophobicContact CE2-CG2 3.94Å; Y411-Y423 HydrophobicContact CD2-CD1 4.46Å; Y411-Y423 AromaticContact CD2-CE1 3.92Å; Y411-Y423 HydrophobicContact CD2-CE1 3.92Å; Y411-Y423 HydrophobicContact CE2-CD1 4.25Å; Y411-Y423 AromaticContact CE2-CE1 3.34Å; Y411-Y423 HydrophobicContact CE2-CE1 3.34Å; Y411-Y423 AromaticContact CZ-CE1 3.66Å; Y411-P424 VanDerWaalsContact O-CA 3.31Å; Y411-P424 WeakPolarHBondContact O-CA 3.33Å; Y411-P424 WeakPolarHBondContact O-CB 3.5Å; Y411-H425 HydrophobicContact CD1-CB 4.13Å; Y411-H425 VanDerWaalsContact CD1-O 3.3Å; Y411-H425 WeakPolarHBondContact CD1-O 3.43Å; Y411-H425 HydrophobicContact CE1-CB 3.44Å; Y411-H425 VanDerWaalsContact CE1-CB 3.44Å; Y411-H425 PolarHBondContact N-O 3.21Å; Y411-H425 PolarHBondContact O-N 3.48Å; Y411-H425 VanDerWaalsContact O-N 3.11Å; Y411-L430 HydrophobicContact CD2-CD1 4.3Å; Y411-L430 HydrophobicContact CE1-CB 4.22Å; Y411-L430 HydrophobicContact CE2-CD1 3.66Å
412	W	96.7	Very high	90.5	Very high	20 Å²	20	45.4 Å²	45.4	8%	0.076	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.8	178.3	-64	-112.5	0	0	0	108.6	G387 L388 P389 V404 F405 K407 K410 F414 L419 P424	G387-W412 PolarHBondContact O-NE1 2.87Å; L388-W412 HydrophobicContact CD1-CB 3.89Å; L388-W412 HydrophobicContact CD1-CD2 3.75Å; L388-W412 HydrophobicContact CD1-CE3 4.01Å; L388-W412 HydrophobicContact CD1-CG 3.7Å; P389-W412 VanDerWaalsContact CD-CZ2 3.42Å; P389-W412 HydrophobicContact CG-CH2 3.76Å; P389-W412 HydrophobicContact CG-CZ2 3.97Å; P389-W412 HydrophobicContact CG-CZ3 4.13Å; V404-W412 CarbonylContact C-O 3.44Å; V404-W412 WeakPolarHBondContact CA-O 3.32Å; F405-W412 HydrophobicContact CB-CB 4.44Å; F405-W412 PolarHBondContact N-O 3.19Å; F405-W412 PolarHBondContact O-N 3.18Å; K407-W412 HydrophobicContact CB-CH2 4.01Å; K407-W412 HydrophobicContact CB-CZ3 3.66Å; K410-W412 HydrophobicContact CB-CH2 3.59Å; K410-W412 HydrophobicContact CB-CZ2 4.42Å; K410-W412 HydrophobicContact CB-CZ3 3.69Å; K410-W412 HydrophobicContact CD-CH2 4.38Å; W412-F414 HydrophobicContact CB-CD2 4.07Å; W412-F414 HydrophobicContact CB-CE2 3.72Å; W412-F414 HydrophobicContact CG-CE2 4.29Å; W412-L419 HydrophobicContact CB-CD1 4.13Å; W412-L419 HydrophobicContact CG-CD1 4.39Å; W412-P424 HydrophobicContact CD2-CB 3.84Å; W412-P424 VanDerWaalsContact CE2-CB 3.44Å; W412-P424 HydrophobicContact CE3-CB 4.5Å; W412-P424 HydrophobicContact CG-CB 4.13Å; W412-P424 HydrophobicContact CH2-CB 4.35Å; W412-P424 HydrophobicContact CZ2-CB 3.72Å; W412-P424 HydrophobicContact CZ2-CG 3.89Å
413	V	96	Very high	90.5	Very high	10 Å²	10	47 Å²	47	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.9	172.1	179.9	0	0	0	0	108.7	N402 F403 V404 Y411 Q420 Y423	N402-V413 HydrophobicContact CB-CG1 3.68Å; F403-V413 CarbonylContact O-C 3.52Å; F403-V413 WeakPolarHBondContact O-CA 3.22Å; V404-V413 HydrophobicContact CG1-CG2 4.23Å; V404-V413 HydrophobicContact CG2-CG2 4.16Å; Y411-V413 HydrophobicContact CD2-CG2 4.08Å; Y411-V413 HydrophobicContact CE2-CG2 3.94Å; V413-Q420 HydrophobicContact CB-CB 4.46Å; V413-Q420 HydrophobicContact CB-CG 4.35Å; V413-Q420 HydrophobicContact CG1-CG 3.94Å; V413-Q420 WeakPolarHBondContact O-CB 3.45Å; V413-Q420 WeakPolarHBondContact O-CG 3.33Å; V413-Q420 PolarHBondContact O-N 2.7Å; V413-Y423 HydrophobicContact CB-CD1 4.28Å; V413-Y423 HydrophobicContact CB-CD2 4.05Å; V413-Y423 HydrophobicContact CB-CE1 3.92Å; V413-Y423 HydrophobicContact CB-CE2 3.63Å; V413-Y423 HydrophobicContact CB-CG 4.34Å; V413-Y423 HydrophobicContact CG2-CD1 4.12Å; V413-Y423 HydrophobicContact CG2-CE1 3.43Å; V413-Y423 VanDerWaalsContact CG2-CE1 3.43Å; V413-Y423 HydrophobicContact CG2-CE2 3.95Å; V413-Y423 WeakPolarHBondContact CG2-OH 3.3Å
414	F	89.2	Confident	90.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.9	176.9	-78.2	-99.7	0	0	0	110	W385 R386 L388 N402 F403 F405 W412 T417 T418 L419	W385-F414 HydrophobicContact CB-CD1 4.26Å; W385-F414 HydrophobicContact CB-CE1 3.75Å; W385-F414 HydrophobicContact CB-CE2 4.29Å; W385-F414 HydrophobicContact CB-CZ 3.77Å; W385-F414 AromaticContact CD1-CD1 3.54Å; W385-F414 AromaticContact CD1-CE1 3.93Å; W385-F414 AromaticContact CD1-CG 3.74Å; W385-F414 HydrophobicContact CG-CD1 4.3Å; W385-F414 HydrophobicContact CG-CE1 4.27Å; R386-F414 WeakPolarHBondContact O-CZ 3.44Å; L388-F414 HydrophobicContact CB-CE2 4.19Å; L388-F414 HydrophobicContact CB-CZ 4.14Å; L388-F414 HydrophobicContact CD1-CE2 4Å; N402-F414 CarbonylContact C-O 3.45Å; N402-F414 WeakPolarHBondContact CA-O 3.15Å; F403-F414 HydrophobicContact CB-CB 4.42Å; F403-F414 PolarHBondContact N-O 3.24Å; F403-F414 PolarHBondContact O-N 3.3Å; F405-F414 AromaticContact CD2-CD2 3.66Å; F405-F414 HydrophobicContact CD2-CD2 3.66Å; F405-F414 HydrophobicContact CD2-CE2 4.25Å; F405-F414 HydrophobicContact CD2-CG 4.46Å; F405-F414 HydrophobicContact CE2-CB 4.16Å; F405-F414 AromaticContact CE2-CD2 3.78Å; F405-F414 HydrophobicContact CE2-CD2 3.78Å; F405-F414 HydrophobicContact CE2-CG 4.18Å; W412-F414 HydrophobicContact CB-CD2 4.07Å; W412-F414 HydrophobicContact CB-CE2 3.72Å; W412-F414 HydrophobicContact CG-CE2 4.29Å; F414-T417 WeakPolarHBondContact CD1-O 3.25Å; F414-T418 CarbonylContact C-O 3.59Å; F414-T418 VanDerWaalsContact CA-O 3.31Å; F414-T418 WeakPolarHBondContact CA-O 3.08Å; F414-T418 VanDerWaalsContact CD1-C 3.41Å; F414-L419 HydrophobicContact CD1-CB 4.09Å; F414-L419 VanDerWaalsContact CD1-N 3.26Å; F414-L419 HydrophobicContact CD2-CD1 4.06Å; F414-L419 HydrophobicContact CE1-CB 3.59Å; F414-L419 HydrophobicContact CE1-CD1 4.21Å; F414-L419 HydrophobicContact CE1-CG 4.47Å; F414-L419 HydrophobicContact CE2-CD1 3.59Å; F414-L419 HydrophobicContact CZ-CB 3.84Å; F414-L419 HydrophobicContact CZ-CD1 3.67Å; F414-L419 HydrophobicContact CZ-CG 4.25Å
415	K	84.1	Confident	90.5	Very high	116 Å²	116	52.6 Å²	52.6	50%	0.504	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	102.8	162.8	-171.7	172.4	-177.6	175.5	0	107.2	T417 T418 Q420	K415-T417 PolarHBondContact O-N 3.1Å; K415-T418 PolarHBondContact N-O 2.66Å; K415-T418 PolarHBondContact O-N 2.78Å; K415-Q420 VanDerWaalsContact CB-NE2 3.34Å
416	D	74.5	Confident	90.4	Very high	57 Å²	57	56.5 Å²	56.5	31%	0.305	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	-91.5	-169.9	-53.5	-47.8	0	0	0	112.4	R354 W385 F403	R354-D416 IonicContact CZ-OD1 3.7Å; R354-D416 VanDerWaalsContact CZ-OD1 3.29Å; R354-D416 IonicContact NE-OD1 2.82Å; R354-D416 PolarHBondContact NE-OD1 2.67Å; R354-D416 IonicContact NH2-OD1 3.04Å; R354-D416 PolarHBondContact NH2-OD1 2.9Å; R354-D416 IonicContact NH2-OD2 2.89Å; W385-D416 PolarHBondContact NE1-O 2.92Å; F403-D416 VanDerWaalsContact CD2-O 3.25Å; F403-D416 WeakPolarHBondContact CD2-O 3.22Å; F403-D416 VanDerWaalsContact CE2-O 3.22Å; F403-D416 WeakPolarHBondContact CE2-O 3.33Å
417	T	74.9	Confident	90.1	Very high	63 Å²	63	56.7 Å²	56.7	39%	0.387	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-6.3	178.3	54.7	0	0	0	0	113.7	F384 F414 K415	F384-T417 HydrophobicContact CD1-CG2 3.47Å; F384-T417 VanDerWaalsContact CD1-CG2 3.47Å; F384-T417 HydrophobicContact CD2-CG2 4.49Å; F384-T417 HydrophobicContact CE1-CG2 3.18Å; F384-T417 HydrophobicContact CE2-CG2 4.27Å; F384-T417 HydrophobicContact CG-CG2 4.13Å; F384-T417 HydrophobicContact CZ-CG2 3.62Å; F384-T417 WeakPolarHBondContact O-CB 3Å; F414-T417 WeakPolarHBondContact CD1-O 3.25Å; K415-T417 PolarHBondContact O-N 3.1Å
418	T	78.7	Confident	89.9	Confident	87 Å²	87	60.4 Å²	60.4	53%	0.534	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.6	-173.8	-55.1	0	0	0	0	110.9	F414 K415 Q420	F414-T418 CarbonylContact C-O 3.59Å; F414-T418 VanDerWaalsContact CA-O 3.31Å; F414-T418 WeakPolarHBondContact CA-O 3.08Å; F414-T418 VanDerWaalsContact CD1-C 3.41Å; K415-T418 PolarHBondContact N-O 2.66Å; K415-T418 PolarHBondContact O-N 2.78Å; T418-Q420 PolarHBondContact O-N 2.56Å; T418-Q420 PolarHBondContact O-NE2 2.9Å
419	L	86.7	Confident	89.8	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.277	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	128.3	174.1	-178.4	60.7	0	0	0	109.3	W412 F414	W412-L419 HydrophobicContact CB-CD1 4.13Å; W412-L419 HydrophobicContact CG-CD1 4.39Å; F414-L419 HydrophobicContact CD1-CB 4.09Å; F414-L419 VanDerWaalsContact CD1-N 3.26Å; F414-L419 HydrophobicContact CD2-CD1 4.06Å; F414-L419 HydrophobicContact CE1-CB 3.59Å; F414-L419 HydrophobicContact CE1-CD1 4.21Å; F414-L419 HydrophobicContact CE1-CG 4.47Å; F414-L419 HydrophobicContact CE2-CD1 3.59Å; F414-L419 HydrophobicContact CZ-CB 3.84Å; F414-L419 HydrophobicContact CZ-CD1 3.67Å; F414-L419 HydrophobicContact CZ-CG 4.25Å
420	Q	92.6	Very high	89.8	Confident	57 Å²	57	59.2 Å²	59.2	27%	0.266	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-71.2	147.6	177.2	-66.5	-57.6	-78.8	0	0	110.7	V413 K415 T418 Y423	V413-Q420 HydrophobicContact CB-CB 4.46Å; V413-Q420 HydrophobicContact CB-CG 4.35Å; V413-Q420 HydrophobicContact CG1-CG 3.94Å; V413-Q420 WeakPolarHBondContact O-CB 3.45Å; V413-Q420 WeakPolarHBondContact O-CG 3.33Å; V413-Q420 PolarHBondContact O-N 2.7Å; K415-Q420 VanDerWaalsContact CB-NE2 3.34Å; T418-Q420 PolarHBondContact O-N 2.56Å; T418-Q420 PolarHBondContact O-NE2 2.9Å; Q420-Y423 HydrophobicContact CB-CD2 3.62Å; Q420-Y423 HydrophobicContact CB-CE2 3.77Å; Q420-Y423 WeakPolarHBondContact O-CD2 3.49Å; Q420-Y423 PolarHBondContact O-N 3.17Å
421	P	92.8	Very high	89.3	Confident	118 Å²	118	55.6 Å²	55.6	77%	0.766	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	141.2	178.3	-24.8	34.3	0	0	0	112.7
422	G	89.7	Confident	88.7	Confident	56 Å²	56	59.7 Å²	59.7	58%	0.577	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-16.8	177.4	0	0	0	0	0	115.3	H425	G422-H425 PolarHBondContact O-CE1 2.98Å; G422-H425 PolarHBondContact O-ND1 2.84Å
423	Y	92	Very high	88	Confident	60 Å²	60	61.3 Å²	61.3	24%	0.235	37%	0.366	C	S	.	.			trans	-79.7	152.5	178.3	-71.2	-80.7	0	0	0	112.7	Y411 V413 Q420 H425	Y411-Y423 HydrophobicContact CD2-CD1 4.46Å; Y411-Y423 AromaticContact CD2-CE1 3.92Å; Y411-Y423 HydrophobicContact CD2-CE1 3.92Å; Y411-Y423 HydrophobicContact CE2-CD1 4.25Å; Y411-Y423 AromaticContact CE2-CE1 3.34Å; Y411-Y423 HydrophobicContact CE2-CE1 3.34Å; Y411-Y423 AromaticContact CZ-CE1 3.66Å; V413-Y423 HydrophobicContact CB-CD1 4.28Å; V413-Y423 HydrophobicContact CB-CD2 4.05Å; V413-Y423 HydrophobicContact CB-CE1 3.92Å; V413-Y423 HydrophobicContact CB-CE2 3.63Å; V413-Y423 HydrophobicContact CB-CG 4.34Å; V413-Y423 HydrophobicContact CG2-CD1 4.12Å; V413-Y423 HydrophobicContact CG2-CE1 3.43Å; V413-Y423 VanDerWaalsContact CG2-CE1 3.43Å; V413-Y423 HydrophobicContact CG2-CE2 3.95Å; V413-Y423 WeakPolarHBondContact CG2-OH 3.3Å; Q420-Y423 HydrophobicContact CB-CD2 3.62Å; Q420-Y423 HydrophobicContact CB-CE2 3.77Å; Q420-Y423 WeakPolarHBondContact O-CD2 3.49Å; Q420-Y423 PolarHBondContact O-N 3.17Å; Y423-H425 HydrophobicContact CD1-CB 4.42Å; Y423-H425 HydrophobicContact CE1-CB 4.43Å; Y423-H425 AromaticContact CE1-CD2 3.92Å
424	P	95.2	Very high	87.7	Confident	53 Å²	53	61.7 Å²	61.7	34%	0.344	37%	0.368	S	S	.	.	S	Bend	cis	-74.2	153.3	-0.3	27.5	-32.3	0	0	0	114.5	K410 Y411 W412	K410-P424 HydrophobicContact CB-CB 4.41Å; K410-P424 HydrophobicContact CD-CB 4.31Å; K410-P424 HydrophobicContact CD-CG 4.34Å; Y411-P424 VanDerWaalsContact O-CA 3.31Å; Y411-P424 WeakPolarHBondContact O-CA 3.33Å; Y411-P424 WeakPolarHBondContact O-CB 3.5Å; W412-P424 HydrophobicContact CD2-CB 3.84Å; W412-P424 VanDerWaalsContact CE2-CB 3.44Å; W412-P424 HydrophobicContact CE3-CB 4.5Å; W412-P424 HydrophobicContact CG-CB 4.13Å; W412-P424 HydrophobicContact CH2-CB 4.35Å; W412-P424 HydrophobicContact CZ2-CB 3.72Å; W412-P424 HydrophobicContact CZ2-CG 3.89Å
425	H	94.3	Very high	87.5	Confident	73 Å²	73	61.7 Å²	61.7	34%	0.338	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.7	169.8	-75.2	-21.4	0	0	0	110.9	K410 Y411 G422 Y423 T429	K410-H425 WeakPolarHBondContact CA-O 3.47Å; Y411-H425 HydrophobicContact CD1-CB 4.13Å; Y411-H425 VanDerWaalsContact CD1-O 3.3Å; Y411-H425 WeakPolarHBondContact CD1-O 3.43Å; Y411-H425 HydrophobicContact CE1-CB 3.44Å; Y411-H425 VanDerWaalsContact CE1-CB 3.44Å; Y411-H425 PolarHBondContact N-O 3.21Å; Y411-H425 PolarHBondContact O-N 3.48Å; Y411-H425 VanDerWaalsContact O-N 3.11Å; G422-H425 PolarHBondContact O-CE1 2.98Å; G422-H425 PolarHBondContact O-ND1 2.84Å; Y423-H425 HydrophobicContact CD1-CB 4.42Å; Y423-H425 HydrophobicContact CE1-CB 4.43Å; Y423-H425 AromaticContact CE1-CD2 3.92Å; H425-T429 WeakPolarHBondContact CB-OG1 3.43Å
426	D	93.4	Very high	87.2	Confident	83 Å²	83	60.6 Å²	60.6	44%	0.444	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.7	171.8	-71.3	-41.3	0	0	0	110	N409 I428 T429	N409-D426 CarbonylContact O-C 3.57Å; N409-D426 WeakPolarHBondContact O-CA 3.36Å; D426-I428 PolarHBondContact O-N 2.9Å; D426-T429 WeakPolarHBondContact O-CB 3.3Å; D426-T429 PolarHBondContact O-N 2.6Å; D426-T429 PolarHBondContact O-OG1 2.77Å
427	L	92	Very high	87.6	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-54.8	-32.7	-174.6	-173.1	60.9	0	0	0	112.6	F406 N409 T429 L430 I434 P435 I439	F406-L427 HydrophobicContact CD1-CD1 3.73Å; F406-L427 HydrophobicContact CE1-CD1 3.59Å; N409-L427 WeakPolarHBondContact O-CB 3.14Å; N409-L427 PolarHBondContact O-N 2.8Å; L427-T429 PolarHBondContact O-N 2.89Å; L427-L430 HydrophobicContact CD1-CD2 4.45Å; L427-L430 VanDerWaalsContact O-CB 3.3Å; L427-L430 WeakPolarHBondContact O-CB 3.24Å; L427-L430 PolarHBondContact O-N 2.8Å; L427-I434 HydrophobicContact CD1-CD1 3.38Å; L427-I434 HydrophobicContact CD1-CG1 4.15Å; L427-I434 HydrophobicContact CD2-CD1 4.46Å; L427-I434 HydrophobicContact CD2-CG1 4.38Å; L427-I434 HydrophobicContact CG-CD1 3.62Å; L427-I434 HydrophobicContact CG-CG1 3.94Å; L427-I434 HydrophobicContact CG-CG2 4.3Å; L427-I434 WeakPolarHBondContact O-CD1 3.21Å; L427-P435 VanDerWaalsContact CD2-O 3.31Å; L427-P435 WeakPolarHBondContact CD2-O 3.14Å; L427-I439 HydrophobicContact CD1-CD1 3.91Å; L427-I439 HydrophobicContact CD2-CD1 4.42Å; L427-I439 HydrophobicContact CD2-CG1 4.37Å
428	I	90.4	Very high	88.4	Confident	135 Å²	135	62.2 Å²	62.2	69%	0.692	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27.9	178	-60.1	173	0	0	0	112	D426 L430	D426-I428 PolarHBondContact O-N 2.9Å; I428-L430 VanDerWaalsContact C-N 3.28Å; I428-L430 PolarHBondContact O-N 3.29Å
429	T	91.3	Very high	89.2	Confident	87 Å²	87	58.1 Å²	58.1	53%	0.534	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-76.5	-13.9	178.8	73.1	0	0	0	0	113.3	H425 D426 L427 G431	H425-T429 WeakPolarHBondContact CB-OG1 3.43Å; D426-T429 WeakPolarHBondContact O-CB 3.3Å; D426-T429 PolarHBondContact O-N 2.6Å; D426-T429 PolarHBondContact O-OG1 2.77Å; L427-T429 PolarHBondContact O-N 2.89Å; T429-G431 VanDerWaalsContact C-N 3.28Å; T429-G431 PolarHBondContact O-N 2.92Å
430	L	90.3	Very high	89.6	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.073	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-68.6	-29.7	178.5	-171.7	69.4	0	0	0	111.6	F406 Y411 L427 I428 I434 F453 Y462	F406-L430 HydrophobicContact CE1-CD2 4.13Å; F406-L430 HydrophobicContact CZ-CD2 4.21Å; Y411-L430 HydrophobicContact CD2-CD1 4.3Å; Y411-L430 HydrophobicContact CE1-CB 4.22Å; Y411-L430 HydrophobicContact CE2-CD1 3.66Å; L427-L430 HydrophobicContact CD1-CD2 4.45Å; L427-L430 VanDerWaalsContact O-CB 3.3Å; L427-L430 WeakPolarHBondContact O-CB 3.24Å; L427-L430 PolarHBondContact O-N 2.8Å; I428-L430 VanDerWaalsContact C-N 3.28Å; I428-L430 PolarHBondContact O-N 3.29Å; L430-I434 HydrophobicContact CB-CD1 3.61Å; L430-I434 HydrophobicContact CD2-CD1 3.39Å; L430-I434 HydrophobicContact CG-CD1 3.96Å; L430-F453 HydrophobicContact CD2-CE2 4.05Å; L430-F453 HydrophobicContact CD2-CZ 3.86Å; L430-Y462 HydrophobicContact CG-CE2 4.4Å; L430-Y462 WeakPolarHBondContact O-CE2 3.4Å; L430-Y462 PolarHBondContact O-OH 3.2Å; L430-Y462 VanDerWaalsContact O-OH 3.08Å
431	G	85.3	Confident	89.8	Confident	9 Å²	9	54.4 Å²	54.4	9%	0.093	33%	0.331	C	S	.	.			trans	164.1	157	175.6	0	0	0	0	0	113.5	T429 G433 K467	T429-G431 VanDerWaalsContact C-N 3.28Å; T429-G431 PolarHBondContact O-N 2.92Å; G431-G433 PolarHBondContact O-N 2.9Å; G431-K467 WeakPolarHBondContact CA-O 3.45Å
432	S	82.7	Confident	89.9	Confident	98 Å²	98	48.9 Å²	48.9	69%	0.685	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	134.6	176.1	-69.1	0	0	0	0	111.1	M469	S432-M469 WeakPolarHBondContact O-CB 3.44Å; S432-M469 VanDerWaalsContact O-CG 3.28Å; S432-M469 WeakPolarHBondContact O-CG 3.38Å
433	G	82.7	Confident	90.1	Very high	53 Å²	53	46.4 Å²	46.4	55%	0.546	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	9.1	176.3	0	0	0	0	0	115.9	G431 W460	G431-G433 PolarHBondContact O-N 2.9Å; G433-W460 PolarHBondContact O-NE1 3.31Å
434	I	88.8	Confident	90	Very high	18 Å²	18	46 Å²	46	9%	0.092	27%	0.267	C	S	.	.			trans	-65.4	152.9	177.2	-161.1	156.3	0	0	0	113.1	L427 L430 I439 M469	L427-I434 HydrophobicContact CD1-CD1 3.38Å; L427-I434 HydrophobicContact CD1-CG1 4.15Å; L427-I434 HydrophobicContact CD2-CD1 4.46Å; L427-I434 HydrophobicContact CD2-CG1 4.38Å; L427-I434 HydrophobicContact CG-CD1 3.62Å; L427-I434 HydrophobicContact CG-CG1 3.94Å; L427-I434 HydrophobicContact CG-CG2 4.3Å; L427-I434 WeakPolarHBondContact O-CD1 3.21Å; L430-I434 HydrophobicContact CB-CD1 3.61Å; L430-I434 HydrophobicContact CD2-CD1 3.39Å; L430-I434 HydrophobicContact CG-CD1 3.96Å; I434-I439 HydrophobicContact CD1-CD1 4.5Å; I434-M469 HydrophobicContact CB-CE 3.91Å; I434-M469 HydrophobicContact CD1-CE 4.01Å; I434-M469 HydrophobicContact CG1-CE 3.81Å
435	P	86	Confident	89.6	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.254	C	S	.	.			trans	-55.2	127.2	174.1	-26.4	33.9	0	0	0	112.4	L427 H437 G438 I439 K455 W460	L427-P435 VanDerWaalsContact CD2-O 3.31Å; L427-P435 WeakPolarHBondContact CD2-O 3.14Å; P435-H437 VanDerWaalsContact C-N 3.3Å; P435-H437 PolarHBondContact O-N 2.97Å; P435-G438 WeakPolarHBondContact CB-O 3.3Å; P435-I439 HydrophobicContact CG-CG1 4.41Å; P435-K455 HydrophobicContact CB-CB 4.16Å; P435-K455 HydrophobicContact CB-CG 4.24Å; P435-K455 HydrophobicContact CG-CB 4.27Å; P435-W460 HydrophobicContact CB-CH2 4.17Å; P435-W460 HydrophobicContact CB-CZ2 4.13Å; P435-W460 HydrophobicContact CB-CZ3 4.43Å; P435-W460 HydrophobicContact CG-CD2 3.53Å; P435-W460 HydrophobicContact CG-CE3 3.53Å; P435-W460 HydrophobicContact CG-CG 4.23Å; P435-W460 HydrophobicContact CG-CH2 3.84Å; P435-W460 HydrophobicContact CG-CZ2 3.76Å; P435-W460 HydrophobicContact CG-CZ3 3.73Å
436	P	77.5	Confident	89	Confident	93 Å²	93	46.6 Å²	46.6	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-18	-174.6	27.2	-34.3	0	0	0	114.1
437	H	82.6	Confident	88.3	Confident	153 Å²	153	49.7 Å²	49.7	71%	0.708	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	31.2	-170.9	-55.3	-51.9	0	0	0	113.3	P435 K455	P435-H437 VanDerWaalsContact C-N 3.3Å; P435-H437 PolarHBondContact O-N 2.97Å; H437-K455 WeakPolarHBondContact O-CE 3.11Å; H437-K455 PolarHBondContact O-NZ 2.95Å
438	G	92.2	Very high	87.9	Confident	1 Å²	1	53 Å²	53	1%	0.01	30%	0.301	C	S	.	.			trans	87.3	-178.5	-179.6	0	0	0	0	0	114	G408 P435 K455	G408-G438 WeakPolarHBondContact O-CA 3.22Å; P435-G438 WeakPolarHBondContact CB-O 3.3Å; G438-K455 WeakPolarHBondContact O-CD 3.28Å; G438-K455 WeakPolarHBondContact O-CE 3.49Å; G438-K455 WeakPolarHBondContact O-CG 3.43Å
439	I	95.6	Very high	87.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.284	C	S	.	.			trans	-124.9	128.7	-173.2	-68.2	167.1	0	0	0	108.1	A394 F406 L427 I434 P435 S441 A442 F453	A394-I439 HydrophobicContact CB-CG2 3.97Å; F406-I439 HydrophobicContact CD1-CD1 3.74Å; F406-I439 HydrophobicContact CD2-CD1 4.32Å; F406-I439 HydrophobicContact CE1-CD1 3.52Å; F406-I439 HydrophobicContact CE2-CD1 4.1Å; F406-I439 HydrophobicContact CG-CB 4.37Å; F406-I439 HydrophobicContact CG-CD1 4.13Å; F406-I439 HydrophobicContact CZ-CD1 3.7Å; L427-I439 HydrophobicContact CD1-CD1 3.91Å; L427-I439 HydrophobicContact CD2-CD1 4.42Å; L427-I439 HydrophobicContact CD2-CG1 4.37Å; I434-I439 HydrophobicContact CD1-CD1 4.5Å; P435-I439 HydrophobicContact CG-CG1 4.41Å; I439-S441 WeakPolarHBondContact CG2-O 3.25Å; I439-A442 HydrophobicContact CG2-CB 4.3Å; I439-F453 HydrophobicContact CD1-CB 4.29Å; I439-F453 HydrophobicContact CD1-CD1 3.68Å; I439-F453 HydrophobicContact CD1-CD2 4.41Å; I439-F453 HydrophobicContact CD1-CE1 4.05Å; I439-F453 HydrophobicContact CD1-CG 3.88Å; I439-F453 HydrophobicContact CG1-CB 4.36Å; I439-F453 HydrophobicContact CG1-CD1 4.46Å; I439-F453 HydrophobicContact CG1-CG 4.48Å; I439-F453 HydrophobicContact CG2-CB 4.29Å; I439-F453 HydrophobicContact CG2-CD1 4.09Å
440	D	95.2	Very high	87.8	Confident	31 Å²	31	45.7 Å²	45.7	17%	0.166	27%	0.266	C	S	.	.	S	Bend	trans	-83.6	-34.1	179.7	-60.9	-18.7	0	0	0	111.3	F454 K455 G456 S486 P487	D440-F454 WeakPolarHBondContact CB-O 3.46Å; D440-F454 PolarHBondContact N-O 3.16Å; D440-K455 VanDerWaalsContact CG-CD 3.45Å; D440-K455 WeakPolarHBondContact OD1-CD 3.46Å; D440-K455 IonicContact OD1-NZ 2.81Å; D440-K455 PolarHBondContact OD1-NZ 2.86Å; D440-K455 WeakPolarHBondContact OD2-CA 3.41Å; D440-K455 WeakPolarHBondContact OD2-CD 3.31Å; D440-G456 PolarHBondContact OD2-N 3.16Å; D440-S486 VanDerWaalsContact OD2-CB 3.31Å; D440-S486 WeakPolarHBondContact OD2-CB 3.17Å; D440-S486 PolarHBondContact OD2-OG 3.07Å; D440-P487 CarbonylContact C-O 3.54Å
441	S	95.8	Very high	88	Confident	1 Å²	1	45 Å²	45	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	151.4	176.2	178.5	0	0	0	0	110.9	I439 F454 P487 G489 A490	I439-S441 WeakPolarHBondContact CG2-O 3.25Å; S441-F454 PolarHBondContact N-O 2.91Å; S441-F454 PolarHBondContact O-N 3.01Å; S441-P487 VanDerWaalsContact CB-O 3.29Å; S441-P487 WeakPolarHBondContact CB-O 3.49Å; S441-G489 VanDerWaalsContact OG-C 3.31Å; S441-A490 WeakPolarHBondContact OG-CB 3.23Å; S441-A490 PolarHBondContact OG-N 2.85Å
442	A	95.5	Very high	88.4	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.3	-179.2	0	0	0	0	0	110.4	Y396 F406 I439 Y452 F453	Y396-A442 HydrophobicContact CD1-CB 3.55Å; Y396-A442 HydrophobicContact CE1-CB 4.29Å; Y396-A442 HydrophobicContact CG-CB 4.02Å; F406-A442 HydrophobicContact CE2-CB 4.19Å; I439-A442 HydrophobicContact CG2-CB 4.3Å; A442-Y452 WeakPolarHBondContact CA-O 3.36Å; A442-F453 HydrophobicContact CB-CD1 3.65Å; A442-F453 HydrophobicContact CB-CE1 3.85Å
443	I	92.5	Very high	89	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.7	172.9	59.5	-177	0	0	0	111.4	T451 Y452 F454 W480 A490 T499 F501	I443-T451 CarbonylContact O-C 3.49Å; I443-T451 WeakPolarHBondContact O-CA 3.31Å; I443-Y452 PolarHBondContact N-O 3.46Å; I443-Y452 PolarHBondContact O-N 3.21Å; I443-F454 HydrophobicContact CD1-CE2 4.05Å; I443-F454 HydrophobicContact CD1-CZ 4.4Å; I443-F454 HydrophobicContact CG1-CE2 4.09Å; I443-W480 HydrophobicContact CD1-CH2 4.48Å; I443-A490 VanDerWaalsContact CG2-C 3.44Å; I443-A490 HydrophobicContact CG2-CB 3.37Å; I443-A490 WeakPolarHBondContact CG2-O 3.38Å; I443-T499 HydrophobicContact CD1-CG2 3.75Å; I443-F501 HydrophobicContact CD1-CZ 4.44Å
444	W	91.1	Very high	89.6	Confident	52 Å²	52	38 Å²	38	20%	0.197	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.5	165.1	171.5	-120.5	0	0	0	109.7	Y396 E397 G449 K450 T451 E464	Y396-W444 HydrophobicContact CD2-CB 4.07Å; E397-W444 WeakPolarHBondContact O-CB 3.29Å; W444-G449 VanDerWaalsContact CH2-O 3.28Å; W444-G449 WeakPolarHBondContact CH2-O 3.26Å; W444-G449 WeakPolarHBondContact CZ3-O 3.36Å; W444-K450 VanDerWaalsContact CZ3-CA 3.41Å; W444-T451 VanDerWaalsContact CE3-OG1 3.24Å; W444-E464 HydrophobicContact CE3-CG 4.22Å; W444-E464 HydrophobicContact CH2-CG 4.32Å; W444-E464 HydrophobicContact CZ3-CB 4.46Å; W444-E464 HydrophobicContact CZ3-CG 3.71Å
445	W	86	Confident	89.9	Confident	20 Å²	20	40 Å²	40	8%	0.076	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	101.5	166.6	-93.8	-22.8	0	0	0	110	D447 V448 G449 K450 Y452 W480 T499 N512	W445-D447 VanDerWaalsContact C-N 3.33Å; W445-D447 PolarHBondContact O-N 3.13Å; W445-V448 HydrophobicContact CB-CB 4.07Å; W445-V448 HydrophobicContact CB-CG2 4.21Å; W445-V448 HydrophobicContact CD2-CG2 4.45Å; W445-V448 HydrophobicContact CE3-CG2 3.93Å; W445-V448 PolarHBondContact O-N 3.18Å; W445-G449 PolarHBondContact O-N 3.03Å; W445-K450 PolarHBondContact N-O 3.23Å; W445-K450 PolarHBondContact O-N 3.02Å; W445-Y452 HydrophobicContact CB-CE2 4.26Å; W445-Y452 HydrophobicContact CD2-CD2 4.36Å; W445-Y452 AromaticContact CD2-CE2 4Å; W445-Y452 HydrophobicContact CD2-CE2 4Å; W445-Y452 AromaticContact CE3-CD2 3.97Å; W445-Y452 HydrophobicContact CE3-CD2 3.97Å; W445-Y452 HydrophobicContact CE3-CE1 4.41Å; W445-Y452 AromaticContact CE3-CE2 3.27Å; W445-Y452 HydrophobicContact CE3-CE2 3.27Å; W445-Y452 AromaticContact CE3-CZ 3.5Å; W445-Y452 VanDerWaalsContact CE3-CZ 3.5Å; W445-Y452 HydrophobicContact CG-CE2 4.44Å; W445-Y452 HydrophobicContact CZ3-CE1 4.26Å; W445-Y452 AromaticContact CZ3-CE2 3.93Å; W445-Y452 HydrophobicContact CZ3-CE2 3.93Å; W445-Y452 AromaticContact CZ3-CZ 3.69Å; W445-W480 HydrophobicContact CE3-CH2 4.45Å; W445-W480 HydrophobicContact CH2-CE3 4.48Å; W445-W480 AromaticContact CH2-CH2 3.13Å; W445-W480 HydrophobicContact CH2-CH2 3.13Å; W445-W480 HydrophobicContact CH2-CZ2 4.22Å; W445-W480 AromaticContact CH2-CZ3 3.3Å; W445-W480 HydrophobicContact CH2-CZ3 3.3Å; W445-W480 AromaticContact CZ2-CH2 3.55Å; W445-W480 HydrophobicContact CZ2-CH2 3.55Å; W445-W480 AromaticContact CZ2-CZ3 3.48Å; W445-W480 HydrophobicContact CZ2-CZ3 3.48Å; W445-W480 VanDerWaalsContact CZ2-CZ3 3.48Å; W445-W480 AromaticContact CZ3-CH2 3.65Å; W445-W480 HydrophobicContact CZ3-CH2 3.65Å; W445-W480 HydrophobicContact CZ3-CZ2 4.46Å; W445-W480 HydrophobicContact CZ3-CZ3 4.27Å; W445-T499 WeakPolarHBondContact CZ2-OG1 3.19Å; W445-T499 PolarHBondContact NE1-OG1 2.89Å; W445-N512 HydrophobicContact CH2-CB 4.44Å; W445-N512 HydrophobicContact CZ2-CB 4.11Å; W445-N512 WeakPolarHBondContact CZ2-OD1 3.37Å
446	E	83	Confident	90.2	Very high	117 Å²	117	41.1 Å²	41.1	55%	0.547	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-45.7	177.5	-168.7	171.2	-172.7	0	0	111.7	V448 G449 K494	E446-V448 VanDerWaalsContact C-N 3.25Å; E446-V448 PolarHBondContact O-N 3.43Å; E446-G449 PolarHBondContact O-N 2.76Å; E446-K494 IonicContact OE1-NZ 2.91Å; E446-K494 WeakPolarHBondContact OE2-CE 3.45Å; E446-K494 IonicContact OE2-NZ 3.44Å; E446-K494 PolarHBondContact OE2-NZ 3.02Å
447	D	77.6	Confident	91	Very high	148 Å²	148	40.3 Å²	40.3	79%	0.791	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.9	-178.8	-61.4	-23.3	0	0	0	113.9	W445	W445-D447 VanDerWaalsContact C-N 3.33Å; W445-D447 PolarHBondContact O-N 3.13Å
448	V	83.8	Confident	91.5	Very high	75 Å²	75	38.1 Å²	38.1	46%	0.455	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-18.2	-178.8	-176.6	0	0	0	0	111.4	W445 E446 K450	W445-V448 HydrophobicContact CB-CB 4.07Å; W445-V448 HydrophobicContact CB-CG2 4.21Å; W445-V448 HydrophobicContact CD2-CG2 4.45Å; W445-V448 HydrophobicContact CE3-CG2 3.93Å; W445-V448 PolarHBondContact O-N 3.18Å; E446-V448 VanDerWaalsContact C-N 3.25Å; E446-V448 PolarHBondContact O-N 3.43Å; V448-K450 VanDerWaalsContact C-N 3.31Å; V448-K450 HydrophobicContact CG1-CB 4.15Å; V448-K450 HydrophobicContact CG1-CG 3.98Å
449	G	88.8	Confident	91.6	Very high	32 Å²	32	38.5 Å²	38.5	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	30.5	-173.8	0	0	0	0	0	113.3	W444 W445 E446	W444-G449 VanDerWaalsContact CH2-O 3.28Å; W444-G449 WeakPolarHBondContact CH2-O 3.26Å; W444-G449 WeakPolarHBondContact CZ3-O 3.36Å; W445-G449 PolarHBondContact O-N 3.03Å; E446-G449 PolarHBondContact O-N 2.76Å
450	K	91.3	Very high	91.6	Very high	37 Å²	37	39.4 Å²	39.4	16%	0.161	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.8	-177.8	-63.2	-68.5	179.1	168	0	112.8	W444 W445 V448 Y452 R461 S463 D470	W444-K450 VanDerWaalsContact CZ3-CA 3.41Å; W445-K450 PolarHBondContact N-O 3.23Å; W445-K450 PolarHBondContact O-N 3.02Å; V448-K450 VanDerWaalsContact C-N 3.31Å; V448-K450 HydrophobicContact CG1-CB 4.15Å; V448-K450 HydrophobicContact CG1-CG 3.98Å; K450-Y452 HydrophobicContact CB-CE2 3.93Å; K450-R461 HydrophobicContact CB-CG 3.82Å; K450-R461 HydrophobicContact CD-CG 4.42Å; K450-R461 HydrophobicContact CG-CG 4.15Å; K450-S463 VanDerWaalsContact NZ-CB 3.3Å; K450-S463 PolarHBondContact NZ-OG 2.79Å; K450-D470 IonicContact NZ-OD1 3.11Å; K450-D470 PolarHBondContact NZ-OD1 3.14Å; K450-D470 IonicContact NZ-OD2 3.63Å; K450-D470 PolarHBondContact NZ-OD2 3.26Å
451	T	94.3	Very high	91.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.4	172.8	-55.4	0	0	0	0	109.5	Y396 I443 W444 F453 R461 Y462 E464	Y396-T451 HydrophobicContact CD2-CG2 4.01Å; Y396-T451 HydrophobicContact CE1-CG2 4.29Å; Y396-T451 HydrophobicContact CE2-CG2 3.54Å; I443-T451 CarbonylContact O-C 3.49Å; I443-T451 WeakPolarHBondContact O-CA 3.31Å; W444-T451 VanDerWaalsContact CE3-OG1 3.24Å; T451-F453 HydrophobicContact CG2-CD1 4.17Å; T451-F453 HydrophobicContact CG2-CE1 3.54Å; T451-F453 HydrophobicContact CG2-CE2 4.21Å; T451-F453 HydrophobicContact CG2-CZ 3.56Å; T451-R461 CarbonylContact O-C 3.53Å; T451-R461 WeakPolarHBondContact O-CA 3.24Å; T451-Y462 PolarHBondContact N-O 3.02Å; T451-Y462 PolarHBondContact O-N 2.84Å; T451-E464 PolarHBondContact OG1-OE1 3.11Å
452	Y	92.6	Very high	91.4	Very high	13 Å²	13	41.4 Å²	41.4	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.6	177.7	-67.2	-103.7	0	0	0	110	A442 I443 W445 K450 Y459 W460 R461 W480	A442-Y452 WeakPolarHBondContact CA-O 3.36Å; I443-Y452 PolarHBondContact N-O 3.46Å; I443-Y452 PolarHBondContact O-N 3.21Å; W445-Y452 HydrophobicContact CB-CE2 4.26Å; W445-Y452 HydrophobicContact CD2-CD2 4.36Å; W445-Y452 AromaticContact CD2-CE2 4Å; W445-Y452 HydrophobicContact CD2-CE2 4Å; W445-Y452 AromaticContact CE3-CD2 3.97Å; W445-Y452 HydrophobicContact CE3-CD2 3.97Å; W445-Y452 HydrophobicContact CE3-CE1 4.41Å; W445-Y452 AromaticContact CE3-CE2 3.27Å; W445-Y452 HydrophobicContact CE3-CE2 3.27Å; W445-Y452 AromaticContact CE3-CZ 3.5Å; W445-Y452 VanDerWaalsContact CE3-CZ 3.5Å; W445-Y452 HydrophobicContact CG-CE2 4.44Å; W445-Y452 HydrophobicContact CZ3-CE1 4.26Å; W445-Y452 AromaticContact CZ3-CE2 3.93Å; W445-Y452 HydrophobicContact CZ3-CE2 3.93Å; W445-Y452 AromaticContact CZ3-CZ 3.69Å; K450-Y452 HydrophobicContact CB-CE2 3.93Å; Y452-Y459 AromaticContact CD1-CD2 3.86Å; Y452-Y459 HydrophobicContact CD1-CD2 3.86Å; Y452-Y459 AromaticContact CD1-CE2 3.87Å; Y452-Y459 HydrophobicContact CD1-CE2 3.87Å; Y452-Y459 HydrophobicContact CE1-CD2 4.46Å; Y452-Y459 HydrophobicContact CE1-CE2 4.01Å; Y452-W460 VanDerWaalsContact CA-O 3.3Å; Y452-W460 WeakPolarHBondContact CA-O 3.45Å; Y452-R461 HydrophobicContact CD1-CB 4.31Å; Y452-R461 HydrophobicContact CD1-CG 4.24Å; Y452-R461 HydrophobicContact CE1-CB 4.17Å; Y452-R461 HydrophobicContact CE1-CG 3.83Å; Y452-R461 HydrophobicContact CE2-CG 4.22Å; Y452-R461 WeakPolarHBondContact OH-CD 3.35Å; Y452-W480 HydrophobicContact CD1-CH2 4.21Å; Y452-W480 AromaticContact CD1-CZ2 3.63Å; Y452-W480 HydrophobicContact CD1-CZ2 3.63Å; Y452-W480 HydrophobicContact CE1-CH2 4.41Å; Y452-W480 AromaticContact CE1-CZ2 3.93Å; Y452-W480 HydrophobicContact CE1-CZ2 3.93Å; Y452-W480 HydrophobicContact CG-CH2 4.49Å; Y452-W480 HydrophobicContact CG-CZ2 4.26Å
453	F	95.7	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	175.9	-58.7	-56.2	0	0	0	110.1	Y396 F406 L430 I439 A442 T451 Y459 W460 Y462 M469	Y396-F453 HydrophobicContact CD1-CE1 4.36Å; Y396-F453 AromaticContact CE1-CE1 3.75Å; Y396-F453 HydrophobicContact CE1-CE1 3.75Å; Y396-F453 HydrophobicContact CE1-CZ 4.22Å; F406-F453 AromaticContact CE2-CE1 3.99Å; F406-F453 HydrophobicContact CE2-CE1 3.99Å; F406-F453 AromaticContact CZ-CE1 3.77Å; F406-F453 HydrophobicContact CZ-CE1 3.77Å; F406-F453 HydrophobicContact CZ-CZ 4.19Å; L430-F453 HydrophobicContact CD2-CE2 4.05Å; L430-F453 HydrophobicContact CD2-CZ 3.86Å; I439-F453 HydrophobicContact CD1-CB 4.29Å; I439-F453 HydrophobicContact CD1-CD1 3.68Å; I439-F453 HydrophobicContact CD1-CD2 4.41Å; I439-F453 HydrophobicContact CD1-CE1 4.05Å; I439-F453 HydrophobicContact CD1-CG 3.88Å; I439-F453 HydrophobicContact CG1-CB 4.36Å; I439-F453 HydrophobicContact CG1-CD1 4.46Å; I439-F453 HydrophobicContact CG1-CG 4.48Å; I439-F453 HydrophobicContact CG2-CB 4.29Å; I439-F453 HydrophobicContact CG2-CD1 4.09Å; A442-F453 HydrophobicContact CB-CD1 3.65Å; A442-F453 HydrophobicContact CB-CE1 3.85Å; T451-F453 HydrophobicContact CG2-CD1 4.17Å; T451-F453 HydrophobicContact CG2-CE1 3.54Å; T451-F453 HydrophobicContact CG2-CE2 4.21Å; T451-F453 HydrophobicContact CG2-CZ 3.56Å; F453-Y459 CarbonylContact O-C 3.53Å; F453-Y459 WeakPolarHBondContact O-CA 3.37Å; F453-Y459 WeakPolarHBondContact O-CB 3.09Å; F453-W460 HydrophobicContact CB-CB 4.36Å; F453-W460 PolarHBondContact N-O 2.89Å; F453-W460 PolarHBondContact O-N 3.08Å; F453-Y462 AromaticContact CE2-CD1 3.96Å; F453-Y462 HydrophobicContact CE2-CD1 3.96Å; F453-Y462 HydrophobicContact CE2-CD2 4.39Å; F453-Y462 AromaticContact CE2-CG 3.72Å; F453-Y462 HydrophobicContact CE2-CG 3.72Å; F453-Y462 HydrophobicContact CZ-CD1 4.17Å; F453-Y462 HydrophobicContact CZ-CG 4.4Å; F453-M469 HydrophobicContact CD2-CE 3.76Å; F453-M469 HydrophobicContact CD2-SD 4.33Å; F453-M469 HydrophobicContact CE2-CE 3.78Å
454	F	95	Very high	91.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.1	179.9	-61.8	-94.1	0	0	0	109.9	D440 S441 I443 Y459 I477 W480 I483 P487 F501	D440-F454 WeakPolarHBondContact CB-O 3.46Å; D440-F454 PolarHBondContact N-O 3.16Å; S441-F454 PolarHBondContact N-O 2.91Å; S441-F454 PolarHBondContact O-N 3.01Å; I443-F454 HydrophobicContact CD1-CE2 4.05Å; I443-F454 HydrophobicContact CD1-CZ 4.4Å; I443-F454 HydrophobicContact CG1-CE2 4.09Å; F454-Y459 HydrophobicContact CE1-CG 4.33Å; F454-I477 HydrophobicContact CD1-CD1 4Å; F454-I477 HydrophobicContact CD1-CG1 4.33Å; F454-W480 HydrophobicContact CE1-CD2 4.22Å; F454-W480 AromaticContact CE1-CE2 3.81Å; F454-W480 HydrophobicContact CE1-CG 4.43Å; F454-W480 HydrophobicContact CE1-CZ2 4.16Å; F454-W480 AromaticContact CE1-NE1 3.74Å; F454-W480 HydrophobicContact CZ-CD2 4.33Å; F454-W480 AromaticContact CZ-CE2 3.82Å; F454-W480 HydrophobicContact CZ-CH2 4.08Å; F454-W480 AromaticContact CZ-CZ2 3.7Å; F454-W480 HydrophobicContact CZ-CZ2 3.7Å; F454-I483 HydrophobicContact CE1-CD1 4.28Å; F454-P487 HydrophobicContact CB-CG 3.9Å; F454-P487 HydrophobicContact CD1-CG 4.3Å; F454-P487 HydrophobicContact CG-CG 4.07Å; F454-F501 HydrophobicContact CD2-CE1 4.5Å; F454-F501 AromaticContact CE1-CE1 3.92Å; F454-F501 HydrophobicContact CE1-CE1 3.92Å; F454-F501 HydrophobicContact CE1-CZ 4.3Å; F454-F501 AromaticContact CE2-CE1 3.92Å; F454-F501 HydrophobicContact CE2-CE1 3.92Å; F454-F501 HydrophobicContact CE2-CZ 4.44Å; F454-F501 AromaticContact CZ-CE1 3.61Å; F454-F501 HydrophobicContact CZ-CE1 3.61Å; F454-F501 AromaticContact CZ-CZ 3.84Å; F454-F501 HydrophobicContact CZ-CZ 3.84Å
455	K	94.8	Very high	91	Very high	59 Å²	59	47.9 Å²	47.9	26%	0.257	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	119.1	174.8	-176.4	55.7	159.3	178.9	0	109.5	P435 H437 G438 D440 D457 R458 W460	P435-K455 HydrophobicContact CB-CB 4.16Å; P435-K455 HydrophobicContact CB-CG 4.24Å; P435-K455 HydrophobicContact CG-CB 4.27Å; H437-K455 WeakPolarHBondContact O-CE 3.11Å; H437-K455 PolarHBondContact O-NZ 2.95Å; G438-K455 WeakPolarHBondContact O-CD 3.28Å; G438-K455 WeakPolarHBondContact O-CE 3.49Å; G438-K455 WeakPolarHBondContact O-CG 3.43Å; D440-K455 VanDerWaalsContact CG-CD 3.45Å; D440-K455 WeakPolarHBondContact OD1-CD 3.46Å; D440-K455 IonicContact OD1-NZ 2.81Å; D440-K455 PolarHBondContact OD1-NZ 2.86Å; D440-K455 WeakPolarHBondContact OD2-CA 3.41Å; D440-K455 WeakPolarHBondContact OD2-CD 3.31Å; K455-D457 PolarHBondContact O-N 3.4Å; K455-R458 PolarHBondContact N-O 2.84Å; K455-R458 PolarHBondContact O-N 3.29Å; K455-R458 VanDerWaalsContact O-N 3.12Å; K455-R458 VanDerWaalsContact O-O 3.1Å; K455-W460 HydrophobicContact CB-CH2 4.04Å; K455-W460 HydrophobicContact CB-CZ3 3.64Å
456	G	93.4	Very high	91.2	Very high	24 Å²	24	52.5 Å²	52.5	25%	0.247	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-127.2	-178.8	0	0	0	0	0	112.6	D440 R458 S486	D440-G456 PolarHBondContact OD2-N 3.16Å; G456-R458 VanDerWaalsContact C-N 3.32Å; G456-S486 WeakPolarHBondContact CA-OG 3.35Å; G456-S486 PolarHBondContact N-OG 3.38Å; G456-S486 PolarHBondContact O-N 3.28Å
457	D	93.9	Very high	91.5	Very high	76 Å²	76	51.7 Å²	51.7	41%	0.406	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.9	178.4	69.4	-26.6	0	0	0	113.2	K455 I477 E485	K455-D457 PolarHBondContact O-N 3.4Å; D457-I477 WeakPolarHBondContact O-CB 3.29Å; D457-I477 WeakPolarHBondContact O-CG2 3.48Å; D457-I477 PolarHBondContact O-N 2.88Å; D457-E485 HydrophobicContact CB-CG 4.45Å
458	R	94.3	Very high	92.2	Very high	108 Å²	108	46.7 Å²	46.7	41%	0.408	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.7	-171.9	-76.6	173.2	-169.9	-89	-1.3	112.8	K455 G456 W460 P474 K475	K455-R458 PolarHBondContact N-O 2.84Å; K455-R458 PolarHBondContact O-N 3.29Å; K455-R458 VanDerWaalsContact O-N 3.12Å; K455-R458 VanDerWaalsContact O-O 3.1Å; G456-R458 VanDerWaalsContact C-N 3.32Å; R458-W460 HydrophobicContact CB-CH2 3.64Å; R458-W460 HydrophobicContact CB-CZ3 3.63Å; R458-W460 WeakPolarHBondContact O-CZ3 3.34Å; R458-P474 HydrophobicContact CB-CB 4.06Å; R458-P474 HydrophobicContact CG-CB 4.32Å; R458-K475 WeakPolarHBondContact CA-O 3.37Å
459	Y	93.8	Very high	92.7	Very high	9 Å²	9	43.9 Å²	43.9	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.5	172.3	81	-76.9	0	0	0	111.8	Y452 F453 F454 Y473 P474 K475 P476 V479 W480	Y452-Y459 AromaticContact CD1-CD2 3.86Å; Y452-Y459 HydrophobicContact CD1-CD2 3.86Å; Y452-Y459 AromaticContact CD1-CE2 3.87Å; Y452-Y459 HydrophobicContact CD1-CE2 3.87Å; Y452-Y459 HydrophobicContact CE1-CD2 4.46Å; Y452-Y459 HydrophobicContact CE1-CE2 4.01Å; F453-Y459 CarbonylContact O-C 3.53Å; F453-Y459 WeakPolarHBondContact O-CA 3.37Å; F453-Y459 WeakPolarHBondContact O-CB 3.09Å; F454-Y459 HydrophobicContact CE1-CG 4.33Å; Y459-Y473 HydrophobicContact CD2-CD1 4.49Å; Y459-Y473 HydrophobicContact CD2-CE1 4.01Å; Y459-Y473 HydrophobicContact CE2-CD1 4.3Å; Y459-Y473 AromaticContact CE2-CE1 3.44Å; Y459-Y473 HydrophobicContact CE2-CE1 3.44Å; Y459-Y473 VanDerWaalsContact CE2-CE1 3.44Å; Y459-Y473 AromaticContact CZ-CE1 3.73Å; Y459-Y473 WeakPolarHBondContact O-CD1 3.37Å; Y459-P474 VanDerWaalsContact O-CA 3.26Å; Y459-P474 WeakPolarHBondContact O-CA 3.42Å; Y459-K475 HydrophobicContact CD1-CB 3.99Å; Y459-K475 VanDerWaalsContact CD1-O 3.22Å; Y459-K475 WeakPolarHBondContact CD1-O 3.47Å; Y459-K475 HydrophobicContact CE1-CB 3.31Å; Y459-K475 PolarHBondContact N-O 2.71Å; Y459-K475 PolarHBondContact O-N 3.47Å; Y459-P476 WeakPolarHBondContact CE1-O 3.34Å; Y459-V479 HydrophobicContact CE1-CB 4.06Å; Y459-V479 HydrophobicContact CE1-CG2 4.15Å; Y459-W480 AromaticContact CD1-CD1 3.84Å; Y459-W480 AromaticContact CD1-NE1 3.46Å; Y459-W480 HydrophobicContact CD2-CZ2 4.17Å; Y459-W480 AromaticContact CD2-NE1 3.4Å; Y459-W480 AromaticContact CE1-CD1 3.85Å; Y459-W480 AromaticContact CE1-NE1 3.45Å; Y459-W480 AromaticContact CE2-CE2 3.99Å; Y459-W480 HydrophobicContact CE2-CZ2 4.03Å; Y459-W480 AromaticContact CE2-NE1 3.34Å; Y459-W480 VanDerWaalsContact CE2-NE1 3.34Å; Y459-W480 AromaticContact CG-NE1 3.44Å; Y459-W480 AromaticContact CZ-NE1 3.41Å
460	W	94.6	Very high	92.8	Very high	20 Å²	20	42.9 Å²	42.9	8%	0.076	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.9	179.9	-67.6	-111.4	0	0	0	109.1	G433 P435 Y452 F453 K455 R458 M469 P474	G433-W460 PolarHBondContact O-NE1 3.31Å; P435-W460 HydrophobicContact CB-CH2 4.17Å; P435-W460 HydrophobicContact CB-CZ2 4.13Å; P435-W460 HydrophobicContact CB-CZ3 4.43Å; P435-W460 HydrophobicContact CG-CD2 3.53Å; P435-W460 HydrophobicContact CG-CE3 3.53Å; P435-W460 HydrophobicContact CG-CG 4.23Å; P435-W460 HydrophobicContact CG-CH2 3.84Å; P435-W460 HydrophobicContact CG-CZ2 3.76Å; P435-W460 HydrophobicContact CG-CZ3 3.73Å; Y452-W460 VanDerWaalsContact CA-O 3.3Å; Y452-W460 WeakPolarHBondContact CA-O 3.45Å; F453-W460 HydrophobicContact CB-CB 4.36Å; F453-W460 PolarHBondContact N-O 2.89Å; F453-W460 PolarHBondContact O-N 3.08Å; K455-W460 HydrophobicContact CB-CH2 4.04Å; K455-W460 HydrophobicContact CB-CZ3 3.64Å; R458-W460 HydrophobicContact CB-CH2 3.64Å; R458-W460 HydrophobicContact CB-CZ3 3.63Å; R458-W460 WeakPolarHBondContact O-CZ3 3.34Å; W460-M469 HydrophobicContact CB-SD 3.77Å; W460-M469 HydrophobicContact CG-SD 4.35Å; W460-P474 HydrophobicContact CD2-CB 3.8Å; W460-P474 VanDerWaalsContact CE2-CB 3.45Å; W460-P474 HydrophobicContact CE3-CB 4.3Å; W460-P474 HydrophobicContact CG-CB 4.26Å; W460-P474 HydrophobicContact CH2-CB 4.12Å; W460-P474 HydrophobicContact CZ2-CB 3.64Å; W460-P474 HydrophobicContact CZ2-CG 3.75Å; W460-P474 HydrophobicContact CZ3-CB 4.41Å
461	R	92.5	Very high	92.8	Very high	73 Å²	73	47 Å²	47	28%	0.275	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124	171.6	-168.9	173.9	71.7	-175.5	3.4	108.4	K450 T451 Y452 M469 D470 Y473	K450-R461 HydrophobicContact CB-CG 3.82Å; K450-R461 HydrophobicContact CD-CG 4.42Å; K450-R461 HydrophobicContact CG-CG 4.15Å; T451-R461 CarbonylContact O-C 3.53Å; T451-R461 WeakPolarHBondContact O-CA 3.24Å; Y452-R461 HydrophobicContact CD1-CB 4.31Å; Y452-R461 HydrophobicContact CD1-CG 4.24Å; Y452-R461 HydrophobicContact CE1-CB 4.17Å; Y452-R461 HydrophobicContact CE1-CG 3.83Å; Y452-R461 HydrophobicContact CE2-CG 4.22Å; Y452-R461 WeakPolarHBondContact OH-CD 3.35Å; R461-M469 WeakPolarHBondContact O-CA 3.45Å; R461-D470 HydrophobicContact CB-CB 4.48Å; R461-D470 IonicContact CZ-OD2 2.9Å; R461-D470 IonicContact NE-OD2 3.46Å; R461-D470 PolarHBondContact NE-OD2 2.78Å; R461-D470 IonicContact NH2-OD2 3.35Å; R461-D470 PolarHBondContact NH2-OD2 2.86Å; R461-D470 PolarHBondContact O-N 2.9Å; R461-Y473 HydrophobicContact CB-CD1 4.01Å; R461-Y473 HydrophobicContact CB-CD2 3.93Å; R461-Y473 HydrophobicContact CB-CE1 3.66Å; R461-Y473 HydrophobicContact CB-CE2 3.58Å; R461-Y473 HydrophobicContact CB-CG 4.13Å; R461-Y473 VanDerWaalsContact CB-CZ 3.41Å
462	Y	94.6	Very high	92.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	-172.5	175.4	-110.7	0	0	0	110.7	L430 T451 F453 E464 K467 T468 M469	L430-Y462 HydrophobicContact CG-CE2 4.4Å; L430-Y462 WeakPolarHBondContact O-CE2 3.4Å; L430-Y462 PolarHBondContact O-OH 3.2Å; L430-Y462 VanDerWaalsContact O-OH 3.08Å; T451-Y462 PolarHBondContact N-O 3.02Å; T451-Y462 PolarHBondContact O-N 2.84Å; F453-Y462 AromaticContact CE2-CD1 3.96Å; F453-Y462 HydrophobicContact CE2-CD1 3.96Å; F453-Y462 HydrophobicContact CE2-CD2 4.39Å; F453-Y462 AromaticContact CE2-CG 3.72Å; F453-Y462 HydrophobicContact CE2-CG 3.72Å; F453-Y462 HydrophobicContact CZ-CD1 4.17Å; F453-Y462 HydrophobicContact CZ-CG 4.4Å; Y462-E464 HydrophobicContact CD1-CG 4.42Å; Y462-E464 WeakPolarHBondContact CD1-OE1 3.4Å; Y462-E464 VanDerWaalsContact CE1-CD 3.45Å; Y462-E464 HydrophobicContact CE1-CG 4.31Å; Y462-E464 WeakPolarHBondContact CE1-OE1 3.45Å; Y462-E464 WeakPolarHBondContact CE1-OE2 3.44Å; Y462-K467 WeakPolarHBondContact OH-CA 3.28Å; Y462-K467 WeakPolarHBondContact OH-CD 3.45Å; Y462-T468 WeakPolarHBondContact CD2-O 3.49Å; Y462-M469 HydrophobicContact CD2-CE 3.54Å; Y462-M469 HydrophobicContact CD2-SD 3.98Å; Y462-M469 HydrophobicContact CE2-CE 4.36Å; Y462-M469 HydrophobicContact CG-CE 4.04Å; Y462-M469 HydrophobicContact CG-SD 4.33Å
463	S	92.5	Very high	92.4	Very high	5 Å²	5	51 Å²	51	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109	175.5	-158.3	0	0	0	0	109.6	K450 E465 M466 K467 T468	K450-S463 VanDerWaalsContact NZ-CB 3.3Å; K450-S463 PolarHBondContact NZ-OG 2.79Å; S463-E465 PolarHBondContact O-N 2.85Å; S463-M466 PolarHBondContact O-N 2.98Å; S463-K467 WeakPolarHBondContact O-CA 3.36Å; S463-K467 PolarHBondContact O-N 3.46Å; S463-T468 PolarHBondContact N-O 3.1Å
464	E	90.4	Very high	92.4	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.042	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.3	177.4	-69.7	-63.3	159.3	0	0	112.8	Y396 W444 T451 Y462 K467	Y396-E464 PolarHBondContact OH-OE1 3.11Å; W444-E464 HydrophobicContact CE3-CG 4.22Å; W444-E464 HydrophobicContact CH2-CG 4.32Å; W444-E464 HydrophobicContact CZ3-CB 4.46Å; W444-E464 HydrophobicContact CZ3-CG 3.71Å; T451-E464 PolarHBondContact OG1-OE1 3.11Å; Y462-E464 HydrophobicContact CD1-CG 4.42Å; Y462-E464 WeakPolarHBondContact CD1-OE1 3.4Å; Y462-E464 VanDerWaalsContact CE1-CD 3.45Å; Y462-E464 HydrophobicContact CE1-CG 4.31Å; Y462-E464 WeakPolarHBondContact CE1-OE1 3.45Å; Y462-E464 WeakPolarHBondContact CE1-OE2 3.44Å; E464-K467 WeakPolarHBondContact O-CD 3.26Å; E464-K467 WeakPolarHBondContact O-CE 3.37Å; E464-K467 PolarHBondContact O-NZ 3.43Å; E464-K467 IonicContact OE2-NZ 3.05Å; E464-K467 PolarHBondContact OE2-NZ 2.88Å
465	E	88.6	Confident	92.2	Very high	181 Å²	181	57.2 Å²	57.2	85%	0.846	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-48.4	179.6	-177.2	-179.3	-171.7	0	0	112.4	S463 K467	S463-E465 PolarHBondContact O-N 2.85Å; E465-K467 VanDerWaalsContact C-N 3.35Å
466	M	90.1	Very high	92.1	Very high	116 Å²	116	57.3 Å²	57.3	57%	0.571	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6	-177.1	-60.2	-165.5	-64.4	0	0	113.2	S463 T468	S463-M466 PolarHBondContact O-N 2.98Å; M466-T468 HydrophobicContact CB-CG2 3.84Å; M466-T468 HydrophobicContact CE-CG2 4.27Å; M466-T468 PolarHBondContact O-N 3.04Å
467	K	89.6	Confident	92.1	Very high	101 Å²	101	56.4 Å²	56.4	44%	0.439	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	43.3	-175.1	-56.7	-64.1	-179	-155.2	0	113.2	G431 Y462 S463 E464 E465	G431-K467 WeakPolarHBondContact CA-O 3.45Å; Y462-K467 WeakPolarHBondContact OH-CA 3.28Å; Y462-K467 WeakPolarHBondContact OH-CD 3.45Å; S463-K467 WeakPolarHBondContact O-CA 3.36Å; S463-K467 PolarHBondContact O-N 3.46Å; E464-K467 WeakPolarHBondContact O-CD 3.26Å; E464-K467 WeakPolarHBondContact O-CE 3.37Å; E464-K467 PolarHBondContact O-NZ 3.43Å; E464-K467 IonicContact OE2-NZ 3.05Å; E464-K467 PolarHBondContact OE2-NZ 2.88Å; E465-K467 VanDerWaalsContact C-N 3.35Å
468	T	92	Very high	91.9	Very high	43 Å²	43	57.6 Å²	57.6	26%	0.264	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.5	179.7	-169.7	0	0	0	0	112	Y462 S463 M466	Y462-T468 WeakPolarHBondContact CD2-O 3.49Å; S463-T468 PolarHBondContact N-O 3.1Å; M466-T468 HydrophobicContact CB-CG2 3.84Å; M466-T468 HydrophobicContact CE-CG2 4.27Å; M466-T468 PolarHBondContact O-N 3.04Å
469	M	93	Very high	91.7	Very high	16 Å²	16	55.1 Å²	55.1	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.3	168.9	-61.3	-60.5	151.2	0	0	110.4	S432 I434 F453 W460 R461 Y462	S432-M469 WeakPolarHBondContact O-CB 3.44Å; S432-M469 VanDerWaalsContact O-CG 3.28Å; S432-M469 WeakPolarHBondContact O-CG 3.38Å; I434-M469 HydrophobicContact CB-CE 3.91Å; I434-M469 HydrophobicContact CD1-CE 4.01Å; I434-M469 HydrophobicContact CG1-CE 3.81Å; F453-M469 HydrophobicContact CD2-CE 3.76Å; F453-M469 HydrophobicContact CD2-SD 4.33Å; F453-M469 HydrophobicContact CE2-CE 3.78Å; W460-M469 HydrophobicContact CB-SD 3.77Å; W460-M469 HydrophobicContact CG-SD 4.35Å; R461-M469 WeakPolarHBondContact O-CA 3.45Å; Y462-M469 HydrophobicContact CD2-CE 3.54Å; Y462-M469 HydrophobicContact CD2-SD 3.98Å; Y462-M469 HydrophobicContact CE2-CE 4.36Å; Y462-M469 HydrophobicContact CG-CE 4.04Å; Y462-M469 HydrophobicContact CG-SD 4.33Å
470	D	91.5	Very high	91.5	Very high	11 Å²	11	55 Å²	55	6%	0.059	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.3	145.9	175	-81.9	4.8	0	0	0	110.3	K450 R461 Y473	K450-D470 IonicContact NZ-OD1 3.11Å; K450-D470 PolarHBondContact NZ-OD1 3.14Å; K450-D470 IonicContact NZ-OD2 3.63Å; K450-D470 PolarHBondContact NZ-OD2 3.26Å; R461-D470 HydrophobicContact CB-CB 4.48Å; R461-D470 IonicContact CZ-OD2 2.9Å; R461-D470 IonicContact NE-OD2 3.46Å; R461-D470 PolarHBondContact NE-OD2 2.78Å; R461-D470 IonicContact NH2-OD2 3.35Å; R461-D470 PolarHBondContact NH2-OD2 2.86Å; R461-D470 PolarHBondContact O-N 2.9Å; D470-Y473 HydrophobicContact CB-CD2 3.91Å; D470-Y473 HydrophobicContact CB-CE2 4.11Å; D470-Y473 WeakPolarHBondContact O-CD2 3.42Å
471	P	91.4	Very high	91.4	Very high	124 Å²	124	60.3 Å²	60.3	81%	0.805	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	142.6	175.7	-25.8	34.7	0	0	0	113.1
472	G	88.2	Confident	91.3	Very high	60 Å²	60	59.2 Å²	59.2	62%	0.619	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	11.9	178.8	0	0	0	0	0	115.1	K475	G472-K475 WeakPolarHBondContact O-CE 3.35Å; G472-K475 WeakPolarHBondContact O-CG 3.09Å
473	Y	91.6	Very high	91.3	Very high	35 Å²	35	60 Å²	60	14%	0.137	34%	0.341	C	S	.	.			trans	-107.5	151.2	170.3	-73.1	-88.8	0	0	0	110.9	Y459 R461 D470 K475	Y459-Y473 HydrophobicContact CD2-CD1 4.49Å; Y459-Y473 HydrophobicContact CD2-CE1 4.01Å; Y459-Y473 HydrophobicContact CE2-CD1 4.3Å; Y459-Y473 AromaticContact CE2-CE1 3.44Å; Y459-Y473 HydrophobicContact CE2-CE1 3.44Å; Y459-Y473 VanDerWaalsContact CE2-CE1 3.44Å; Y459-Y473 AromaticContact CZ-CE1 3.73Å; Y459-Y473 WeakPolarHBondContact O-CD1 3.37Å; R461-Y473 HydrophobicContact CB-CD1 4.01Å; R461-Y473 HydrophobicContact CB-CD2 3.93Å; R461-Y473 HydrophobicContact CB-CE1 3.66Å; R461-Y473 HydrophobicContact CB-CE2 3.58Å; R461-Y473 HydrophobicContact CB-CG 4.13Å; R461-Y473 VanDerWaalsContact CB-CZ 3.41Å; D470-Y473 HydrophobicContact CB-CD2 3.91Å; D470-Y473 HydrophobicContact CB-CE2 4.11Å; D470-Y473 WeakPolarHBondContact O-CD2 3.42Å; Y473-K475 HydrophobicContact CD1-CB 4.24Å; Y473-K475 HydrophobicContact CD1-CD 4.38Å; Y473-K475 HydrophobicContact CD1-CG 4.05Å; Y473-K475 HydrophobicContact CE1-CB 4.22Å; Y473-K475 HydrophobicContact CE1-CD 3.87Å; Y473-K475 HydrophobicContact CE1-CG 4.02Å
474	P	93.8	Very high	91.3	Very high	48 Å²	48	61 Å²	61	31%	0.312	35%	0.347	S	S	.	.			cis	-73.7	149.9	4.1	25.2	-31.3	0	0	0	115.1	R458 Y459 W460	R458-P474 HydrophobicContact CB-CB 4.06Å; R458-P474 HydrophobicContact CG-CB 4.32Å; Y459-P474 VanDerWaalsContact O-CA 3.26Å; Y459-P474 WeakPolarHBondContact O-CA 3.42Å; W460-P474 HydrophobicContact CD2-CB 3.8Å; W460-P474 VanDerWaalsContact CE2-CB 3.45Å; W460-P474 HydrophobicContact CE3-CB 4.3Å; W460-P474 HydrophobicContact CG-CB 4.26Å; W460-P474 HydrophobicContact CH2-CB 4.12Å; W460-P474 HydrophobicContact CZ2-CB 3.64Å; W460-P474 HydrophobicContact CZ2-CG 3.75Å; W460-P474 HydrophobicContact CZ3-CB 4.41Å
475	K	91	Very high	91.5	Very high	83 Å²	83	66.1 Å²	66.1	36%	0.361	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.4	170.5	-74.4	-175.5	-179.2	179.6	0	110.5	R458 Y459 G472 Y473	R458-K475 WeakPolarHBondContact CA-O 3.37Å; Y459-K475 HydrophobicContact CD1-CB 3.99Å; Y459-K475 VanDerWaalsContact CD1-O 3.22Å; Y459-K475 WeakPolarHBondContact CD1-O 3.47Å; Y459-K475 HydrophobicContact CE1-CB 3.31Å; Y459-K475 PolarHBondContact N-O 2.71Å; Y459-K475 PolarHBondContact O-N 3.47Å; G472-K475 WeakPolarHBondContact O-CE 3.35Å; G472-K475 WeakPolarHBondContact O-CG 3.09Å; Y473-K475 HydrophobicContact CD1-CB 4.24Å; Y473-K475 HydrophobicContact CD1-CD 4.38Å; Y473-K475 HydrophobicContact CD1-CG 4.05Å; Y473-K475 HydrophobicContact CE1-CB 4.22Å; Y473-K475 HydrophobicContact CE1-CD 3.87Å; Y473-K475 HydrophobicContact CE1-CG 4.02Å
476	P	94.1	Very high	91.7	Very high	61 Å²	61	59.3 Å²	59.3	40%	0.396	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	142.4	174.8	28.4	-35	0	0	0	110.5	Y459 T478 V479	Y459-P476 WeakPolarHBondContact CE1-O 3.34Å; P476-T478 PolarHBondContact O-N 2.8Å; P476-T478 VanDerWaalsContact O-N 3.1Å; P476-V479 WeakPolarHBondContact O-CG2 3.46Å; P476-V479 PolarHBondContact O-N 2.82Å
477	I	92.4	Very high	91.9	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.4	-17.1	-179.7	-160.7	170.1	0	0	0	112.4	F454 D457 V479 W480 I483 E485	F454-I477 HydrophobicContact CD1-CD1 4Å; F454-I477 HydrophobicContact CD1-CG1 4.33Å; D457-I477 WeakPolarHBondContact O-CB 3.29Å; D457-I477 WeakPolarHBondContact O-CG2 3.48Å; D457-I477 PolarHBondContact O-N 2.88Å; I477-V479 PolarHBondContact O-N 2.97Å; I477-W480 WeakPolarHBondContact O-CA 3.1Å; I477-W480 VanDerWaalsContact O-CB 3.29Å; I477-W480 WeakPolarHBondContact O-CB 3.36Å; I477-W480 PolarHBondContact O-N 3.34Å; I477-I483 HydrophobicContact CD1-CD1 3.72Å; I477-I483 HydrophobicContact CD1-CG1 4.01Å; I477-I483 HydrophobicContact CG1-CD1 3.67Å; I477-I483 HydrophobicContact CG1-CG1 3.95Å; I477-E485 HydrophobicContact CG2-CG 4.06Å
478	T	91	Very high	92.2	Very high	101 Å²	101	51.9 Å²	51.9	62%	0.62	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-58.6	-16.4	176.8	56.9	0	0	0	0	114.5	P476 W480	P476-T478 PolarHBondContact O-N 2.8Å; P476-T478 VanDerWaalsContact O-N 3.1Å; T478-W480 PolarHBondContact O-N 2.83Å
479	V	89.2	Confident	92.3	Very high	55 Å²	55	49.9 Å²	49.9	33%	0.333	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.7	-35.2	167.2	177.5	0	0	0	0	111	Y459 P476 I477 K481	Y459-V479 HydrophobicContact CE1-CB 4.06Å; Y459-V479 HydrophobicContact CE1-CG2 4.15Å; P476-V479 WeakPolarHBondContact O-CG2 3.46Å; P476-V479 PolarHBondContact O-N 2.82Å; I477-V479 PolarHBondContact O-N 2.97Å; V479-K481 PolarHBondContact O-N 3.02Å
480	W	89.2	Confident	92.3	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.027	29%	0.293	C	S	.	.	S	Bend	trans	-86.2	73.6	175.2	-54.1	83.1	0	0	0	109.9	I443 W445 Y452 F454 Y459 I477 T478 G482 I483 F501 F510	I443-W480 HydrophobicContact CD1-CH2 4.48Å; W445-W480 HydrophobicContact CE3-CH2 4.45Å; W445-W480 HydrophobicContact CH2-CE3 4.48Å; W445-W480 AromaticContact CH2-CH2 3.13Å; W445-W480 HydrophobicContact CH2-CH2 3.13Å; W445-W480 HydrophobicContact CH2-CZ2 4.22Å; W445-W480 AromaticContact CH2-CZ3 3.3Å; W445-W480 HydrophobicContact CH2-CZ3 3.3Å; W445-W480 AromaticContact CZ2-CH2 3.55Å; W445-W480 HydrophobicContact CZ2-CH2 3.55Å; W445-W480 AromaticContact CZ2-CZ3 3.48Å; W445-W480 HydrophobicContact CZ2-CZ3 3.48Å; W445-W480 VanDerWaalsContact CZ2-CZ3 3.48Å; W445-W480 AromaticContact CZ3-CH2 3.65Å; W445-W480 HydrophobicContact CZ3-CH2 3.65Å; W445-W480 HydrophobicContact CZ3-CZ2 4.46Å; W445-W480 HydrophobicContact CZ3-CZ3 4.27Å; Y452-W480 HydrophobicContact CD1-CH2 4.21Å; Y452-W480 AromaticContact CD1-CZ2 3.63Å; Y452-W480 HydrophobicContact CD1-CZ2 3.63Å; Y452-W480 HydrophobicContact CE1-CH2 4.41Å; Y452-W480 AromaticContact CE1-CZ2 3.93Å; Y452-W480 HydrophobicContact CE1-CZ2 3.93Å; Y452-W480 HydrophobicContact CG-CH2 4.49Å; Y452-W480 HydrophobicContact CG-CZ2 4.26Å; F454-W480 HydrophobicContact CE1-CD2 4.22Å; F454-W480 AromaticContact CE1-CE2 3.81Å; F454-W480 HydrophobicContact CE1-CG 4.43Å; F454-W480 HydrophobicContact CE1-CZ2 4.16Å; F454-W480 AromaticContact CE1-NE1 3.74Å; F454-W480 HydrophobicContact CZ-CD2 4.33Å; F454-W480 AromaticContact CZ-CE2 3.82Å; F454-W480 HydrophobicContact CZ-CH2 4.08Å; F454-W480 AromaticContact CZ-CZ2 3.7Å; F454-W480 HydrophobicContact CZ-CZ2 3.7Å; Y459-W480 AromaticContact CD1-CD1 3.84Å; Y459-W480 AromaticContact CD1-NE1 3.46Å; Y459-W480 HydrophobicContact CD2-CZ2 4.17Å; Y459-W480 AromaticContact CD2-NE1 3.4Å; Y459-W480 AromaticContact CE1-CD1 3.85Å; Y459-W480 AromaticContact CE1-NE1 3.45Å; Y459-W480 AromaticContact CE2-CE2 3.99Å; Y459-W480 HydrophobicContact CE2-CZ2 4.03Å; Y459-W480 AromaticContact CE2-NE1 3.34Å; Y459-W480 VanDerWaalsContact CE2-NE1 3.34Å; Y459-W480 AromaticContact CG-NE1 3.44Å; Y459-W480 AromaticContact CZ-NE1 3.41Å; I477-W480 WeakPolarHBondContact O-CA 3.1Å; I477-W480 VanDerWaalsContact O-CB 3.29Å; I477-W480 WeakPolarHBondContact O-CB 3.36Å; I477-W480 PolarHBondContact O-N 3.34Å; T478-W480 PolarHBondContact O-N 2.83Å; W480-G482 PolarHBondContact O-N 2.91Å; W480-I483 HydrophobicContact CB-CD1 3.32Å; W480-I483 HydrophobicContact CB-CG1 3.63Å; W480-I483 HydrophobicContact CB-CG2 4.34Å; W480-I483 HydrophobicContact CD2-CD1 4.36Å; W480-I483 HydrophobicContact CG-CD1 3.79Å; W480-I483 WeakPolarHBondContact O-CG1 3.3Å; W480-I483 PolarHBondContact O-N 2.96Å; W480-F501 HydrophobicContact CD2-CZ 4.34Å; W480-F501 AromaticContact CE3-CE2 3.98Å; W480-F501 HydrophobicContact CE3-CE2 3.98Å; W480-F501 AromaticContact CE3-CZ 3.68Å; W480-F501 HydrophobicContact CE3-CZ 3.68Å; W480-F501 HydrophobicContact CZ3-CE2 4.2Å; W480-F501 AromaticContact CZ3-CZ 3.79Å; W480-F501 HydrophobicContact CZ3-CZ 3.79Å; W480-F510 HydrophobicContact CB-CE2 3.95Å; W480-F510 HydrophobicContact CB-CZ 4.04Å; W480-F510 HydrophobicContact CD2-CE1 4.4Å; W480-F510 HydrophobicContact CD2-CZ 4.29Å; W480-F510 AromaticContact CE3-CD1 3.8Å; W480-F510 HydrophobicContact CE3-CD1 3.8Å; W480-F510 AromaticContact CE3-CE1 3.38Å; W480-F510 HydrophobicContact CE3-CE1 3.38Å; W480-F510 HydrophobicContact CE3-CE2 4.3Å; W480-F510 HydrophobicContact CE3-CG 4.4Å; W480-F510 AromaticContact CE3-CZ 3.65Å; W480-F510 HydrophobicContact CE3-CZ 3.65Å; W480-F510 HydrophobicContact CG-CZ 4.49Å; W480-F510 HydrophobicContact CZ3-CD1 4.07Å; W480-F510 AromaticContact CZ3-CE1 3.81Å; W480-F510 HydrophobicContact CZ3-CE1 3.81Å; W480-F510 HydrophobicContact CZ3-CZ 4.49Å
481	K	92.4	Very high	92.4	Very high	132 Å²	132	49 Å²	49	57%	0.574	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-57.5	115.4	-169.2	-63.6	176.6	-179.9	174.3	0	112.6	V479 L515 K516 V517	V479-K481 PolarHBondContact O-N 3.02Å; K481-L515 WeakPolarHBondContact CB-O 3.49Å; K481-L515 PolarHBondContact N-O 2.87Å; K481-K516 HydrophobicContact CB-CB 4.36Å; K481-K516 HydrophobicContact CB-CG 4.13Å; K481-K516 CarbonylContact O-C 3.56Å; K481-K516 WeakPolarHBondContact O-CA 3.44Å; K481-V517 PolarHBondContact O-N 3.03Å
482	G	91.3	Very high	92.3	Very high	50 Å²	50	44.6 Å²	44.6	52%	0.515	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	-3.8	172.8	0	0	0	0	0	115.7	W480 W508	W480-G482 PolarHBondContact O-N 2.91Å; G482-W508 VanDerWaalsContact O-CD1 3.31Å
483	I	93.9	Very high	92.1	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.087	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-82	149.7	172.5	77.1	173.8	0	0	0	110.5	F454 I477 W480 F501 F510 V517	F454-I483 HydrophobicContact CE1-CD1 4.28Å; I477-I483 HydrophobicContact CD1-CD1 3.72Å; I477-I483 HydrophobicContact CD1-CG1 4.01Å; I477-I483 HydrophobicContact CG1-CD1 3.67Å; I477-I483 HydrophobicContact CG1-CG1 3.95Å; W480-I483 HydrophobicContact CB-CD1 3.32Å; W480-I483 HydrophobicContact CB-CG1 3.63Å; W480-I483 HydrophobicContact CB-CG2 4.34Å; W480-I483 HydrophobicContact CD2-CD1 4.36Å; W480-I483 HydrophobicContact CG-CD1 3.79Å; W480-I483 WeakPolarHBondContact O-CG1 3.3Å; W480-I483 PolarHBondContact O-N 2.96Å; I483-F501 HydrophobicContact CB-CD2 4.43Å; I483-F501 HydrophobicContact CB-CG 4.41Å; I483-F501 HydrophobicContact CD1-CD1 4Å; I483-F501 HydrophobicContact CD1-CD2 4.42Å; I483-F501 HydrophobicContact CD1-CE1 3.77Å; I483-F501 HydrophobicContact CD1-CE2 4.19Å; I483-F501 HydrophobicContact CD1-CG 4.32Å; I483-F501 HydrophobicContact CD1-CZ 3.87Å; I483-F501 HydrophobicContact CG2-CD2 3.67Å; I483-F501 HydrophobicContact CG2-CE2 3.99Å; I483-F501 HydrophobicContact CG2-CG 4.12Å; I483-F510 HydrophobicContact CG2-CB 4.48Å; I483-F510 HydrophobicContact CG2-CD2 3.67Å; I483-F510 HydrophobicContact CG2-CE2 4.29Å; I483-F510 HydrophobicContact CG2-CG 4.34Å; I483-V517 HydrophobicContact CG2-CG2 3.7Å
484	P	93.7	Very high	91.4	Very high	25 Å²	25	48.6 Å²	48.6	16%	0.162	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-73.4	152.1	175.8	32.2	-36.9	0	0	0	111.6	K503 W508	P484-K503 HydrophobicContact CB-CD 3.78Å; P484-K503 HydrophobicContact CG-CB 4.02Å; P484-K503 HydrophobicContact CG-CD 3.89Å; P484-W508 HydrophobicContact CB-CH2 4.42Å; P484-W508 HydrophobicContact CB-CZ2 4.36Å; P484-W508 HydrophobicContact CG-CD2 4.11Å; P484-W508 HydrophobicContact CG-CE3 3.86Å; P484-W508 HydrophobicContact CG-CH2 3.78Å; P484-W508 HydrophobicContact CG-CZ2 3.95Å; P484-W508 HydrophobicContact CG-CZ3 3.72Å
485	E	92.8	Very high	90.6	Very high	117 Å²	117	54.8 Å²	54.8	55%	0.547	29%	0.289	S	S	.	.	S	Bend	trans	-60.1	151.2	166	-64	177.6	179.9	0	0	110.8	D457 I477 K503	D457-E485 HydrophobicContact CB-CG 4.45Å; I477-E485 HydrophobicContact CG2-CG 4.06Å; E485-K503 WeakPolarHBondContact O-CE 3.47Å; E485-K503 PolarHBondContact O-NZ 2.71Å
486	S	92.9	Very high	90.2	Very high	38 Å²	38	53.7 Å²	53.7	27%	0.266	29%	0.287	S	S	.	.	S	Bend	trans	44	63.5	-176	-73.3	0	0	0	0	113.6	D440 G456	D440-S486 VanDerWaalsContact OD2-CB 3.31Å; D440-S486 WeakPolarHBondContact OD2-CB 3.17Å; D440-S486 PolarHBondContact OD2-OG 3.07Å; G456-S486 WeakPolarHBondContact CA-OG 3.35Å; G456-S486 PolarHBondContact N-OG 3.38Å; G456-S486 PolarHBondContact O-N 3.28Å
487	P	95.2	Very high	89.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.			trans	-60.8	138.6	168.7	28.3	-33.4	0	0	0	109.2	D440 S441 F454 F501	D440-P487 CarbonylContact C-O 3.54Å; S441-P487 VanDerWaalsContact CB-O 3.29Å; S441-P487 WeakPolarHBondContact CB-O 3.49Å; F454-P487 HydrophobicContact CB-CG 3.9Å; F454-P487 HydrophobicContact CD1-CG 4.3Å; F454-P487 HydrophobicContact CG-CG 4.07Å; P487-F501 HydrophobicContact CB-CD1 3.92Å; P487-F501 HydrophobicContact CG-CD1 4.08Å
488	Q	95	Very high	89.7	Confident	61 Å²	61	53.9 Å²	53.9	29%	0.285	29%	0.29	S	S	.	.	S	Bend	trans	-86.9	-18.8	-178.2	-67.5	179.7	-85.5	0	0	112.7	F347 T349 Y502 K503	F347-Q488 PolarHBondContact O-NE2 3.43Å; T349-Q488 VanDerWaalsContact CA-O 3.23Å; T349-Q488 WeakPolarHBondContact CA-O 3.22Å; T349-Q488 WeakPolarHBondContact CB-O 3.29Å; T349-Q488 PolarHBondContact OG1-O 3.04Å; Q488-Y502 HydrophobicContact CB-CD1 3.9Å; Q488-Y502 HydrophobicContact CB-CE1 3.95Å; Q488-Y502 PolarHBondContact N-O 2.97Å; Q488-K503 HydrophobicContact CG-CG 4.38Å
489	G	94.5	Very high	89.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	158	175.5	0	0	0	0	0	110.1	S441 Y502	S441-G489 VanDerWaalsContact OG-C 3.31Å; G489-Y502 PolarHBondContact N-O 2.81Å; G489-Y502 PolarHBondContact O-N 2.89Å
490	A	94	Very high	90	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.6	172.9	0	0	0	0	0	110.6	S441 I443 Y500 F501	S441-A490 WeakPolarHBondContact OG-CB 3.23Å; S441-A490 PolarHBondContact OG-N 2.85Å; I443-A490 VanDerWaalsContact CG2-C 3.44Å; I443-A490 HydrophobicContact CG2-CB 3.37Å; I443-A490 WeakPolarHBondContact CG2-O 3.38Å; A490-Y500 CarbonylContact C-O 3.45Å; A490-Y500 WeakPolarHBondContact CA-O 3.2Å; A490-Y500 WeakPolarHBondContact CB-O 3.44Å; A490-F501 HydrophobicContact CB-CD1 3.7Å; A490-F501 HydrophobicContact CB-CE1 3.91Å; A490-F501 HydrophobicContact CB-CG 4.31Å
491	F	92.3	Very high	90.4	Very high	7 Å²	7	47 Å²	47	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158	176.1	61.4	-86.9	0	0	0	111.4	L350 I352 M357 T499 Y500 F529	L350-F491 HydrophobicContact CD1-CD1 3.41Å; L350-F491 VanDerWaalsContact CD1-CD1 3.41Å; L350-F491 HydrophobicContact CD1-CE1 3.52Å; I352-F491 HydrophobicContact CB-CB 4.25Å; I352-F491 HydrophobicContact CD1-CD2 4.25Å; I352-F491 HydrophobicContact CG1-CB 3.67Å; I352-F491 HydrophobicContact CG1-CD2 3.63Å; I352-F491 HydrophobicContact CG1-CE2 4.49Å; I352-F491 HydrophobicContact CG1-CG 3.78Å; M357-F491 HydrophobicContact CE-CD1 4.33Å; M357-F491 HydrophobicContact CE-CE1 3.67Å; M357-F491 HydrophobicContact CE-CE2 3.97Å; M357-F491 HydrophobicContact CE-CZ 3.46Å; M357-F491 VanDerWaalsContact CE-CZ 3.46Å; F491-T499 CarbonylContact O-C 3.52Å; F491-T499 WeakPolarHBondContact O-CA 3.45Å; F491-Y500 HydrophobicContact CD2-CD2 4.44Å; F491-Y500 AromaticContact CE2-CD2 3.91Å; F491-Y500 HydrophobicContact CE2-CD2 3.91Å; F491-Y500 AromaticContact CE2-CG 3.81Å; F491-Y500 HydrophobicContact CE2-CG 3.81Å; F491-Y500 VanDerWaalsContact CZ-CB 3.44Å; F491-Y500 HydrophobicContact CZ-CD1 4.27Å; F491-Y500 HydrophobicContact CZ-CD2 4.37Å; F491-Y500 AromaticContact CZ-CG 3.8Å; F491-Y500 HydrophobicContact CZ-CG 3.8Å; F491-Y500 PolarHBondContact N-O 3.25Å; F491-Y500 PolarHBondContact O-N 2.88Å; F491-F529 HydrophobicContact CE2-CE1 4.19Å; F491-F529 HydrophobicContact CE2-CZ 4.44Å; F491-F529 HydrophobicContact CZ-CD1 4.45Å; F491-F529 AromaticContact CZ-CE1 3.68Å; F491-F529 HydrophobicContact CZ-CE1 3.68Å; F491-F529 AromaticContact CZ-CZ 3.79Å; F491-F529 HydrophobicContact CZ-CZ 3.79Å
492	V	89.8	Confident	90.6	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.188	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.4	179.8	-173.8	0	0	0	0	107.7	K494	V492-K494 PolarHBondContact O-N 2.86Å
493	H	85	Confident	90.7	Very high	61 Å²	61	42 Å²	42	28%	0.282	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.8	177.7	-173.8	-83.1	0	0	0	109.4	E495 N496 G497 F498 Y500	H493-E495 IonicContact CE1-OE2 3Å; H493-E495 PolarHBondContact CE1-OE2 2.67Å; H493-E495 PolarHBondContact O-N 3.43Å; H493-E495 VanDerWaalsContact O-N 3.08Å; H493-N496 WeakPolarHBondContact CB-OD1 3.34Å; H493-N496 VanDerWaalsContact ND1-CG 3.32Å; H493-N496 PolarHBondContact ND1-ND2 2.94Å; H493-N496 PolarHBondContact ND1-OD1 3.43Å; H493-N496 PolarHBondContact O-N 3.22Å; H493-N496 VanDerWaalsContact O-N 3.16Å; H493-N496 PolarHBondContact O-OD1 2.9Å; H493-G497 PolarHBondContact O-N 2.89Å; H493-F498 PolarHBondContact N-O 3.24Å; H493-Y500 HydrophobicContact CB-CD2 4.02Å; H493-Y500 HydrophobicContact CB-CE2 3.59Å
494	K	75.6	Confident	90.7	Very high	117 Å²	117	42.1 Å²	42.1	51%	0.509	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.3	-170.2	-64.9	-158.4	-179.9	-149.3	0	114.2	E446 V492	E446-K494 IonicContact OE1-NZ 2.91Å; E446-K494 WeakPolarHBondContact OE2-CE 3.45Å; E446-K494 IonicContact OE2-NZ 3.44Å; E446-K494 PolarHBondContact OE2-NZ 3.02Å; V492-K494 PolarHBondContact O-N 2.86Å
495	E	76.6	Confident	90.6	Very high	179 Å²	179	45.7 Å²	45.7	84%	0.836	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-28.5	-174.5	-53.2	179.4	163.1	0	0	113.7	H493	H493-E495 IonicContact CE1-OE2 3Å; H493-E495 PolarHBondContact CE1-OE2 2.67Å; H493-E495 PolarHBondContact O-N 3.43Å; H493-E495 VanDerWaalsContact O-N 3.08Å
496	N	84.2	Confident	90.7	Very high	60 Å²	60	44.4 Å²	44.4	32%	0.321	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-7.5	-174.9	70	20	0	0	0	112.8	H493 F498 Y500	H493-N496 WeakPolarHBondContact CB-OD1 3.34Å; H493-N496 VanDerWaalsContact ND1-CG 3.32Å; H493-N496 PolarHBondContact ND1-ND2 2.94Å; H493-N496 PolarHBondContact ND1-OD1 3.43Å; H493-N496 PolarHBondContact O-N 3.22Å; H493-N496 VanDerWaalsContact O-N 3.16Å; H493-N496 PolarHBondContact O-OD1 2.9Å; N496-F498 HydrophobicContact CB-CD2 3.81Å; N496-F498 HydrophobicContact CB-CE2 4.27Å; N496-F498 WeakPolarHBondContact O-CD2 3.49Å; N496-F498 WeakPolarHBondContact O-CE2 3.34Å; N496-F498 PolarHBondContact O-N 2.93Å; N496-F498 WeakPolarHBondContact OD1-CB 3.49Å; N496-F498 WeakPolarHBondContact OD1-CD2 3.13Å; N496-F498 PolarHBondContact OD1-N 2.97Å; N496-Y500 PolarHBondContact ND2-OH 2.99Å; N496-Y500 VanDerWaalsContact ND2-OH 3.11Å
497	G	83.6	Confident	90.9	Very high	31 Å²	31	43 Å²	43	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	9.6	177.1	0	0	0	0	0	114.7	H493 N512	H493-G497 PolarHBondContact O-N 2.89Å; G497-N512 PolarHBondContact O-ND2 3Å
498	F	91.7	Very high	91	Very high	39 Å²	39	44.2 Å²	44.2	17%	0.171	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	149.3	176.2	-67.7	-91.2	0	0	0	111.1	H493 N496 Y500 K509 F510 N511 E518	H493-F498 PolarHBondContact N-O 3.24Å; N496-F498 HydrophobicContact CB-CD2 3.81Å; N496-F498 HydrophobicContact CB-CE2 4.27Å; N496-F498 WeakPolarHBondContact O-CD2 3.49Å; N496-F498 WeakPolarHBondContact O-CE2 3.34Å; N496-F498 PolarHBondContact O-N 2.93Å; N496-F498 WeakPolarHBondContact OD1-CB 3.49Å; N496-F498 WeakPolarHBondContact OD1-CD2 3.13Å; N496-F498 PolarHBondContact OD1-N 2.97Å; F498-Y500 HydrophobicContact CB-CD2 4.47Å; F498-Y500 HydrophobicContact CB-CE2 3.84Å; F498-K509 HydrophobicContact CB-CG 3.99Å; F498-K509 HydrophobicContact CD1-CD 4.31Å; F498-K509 VanDerWaalsContact CD1-CE 3.44Å; F498-K509 HydrophobicContact CD1-CG 3.99Å; F498-K509 HydrophobicContact CG-CD 4.3Å; F498-K509 HydrophobicContact CG-CG 4.07Å; F498-F510 WeakPolarHBondContact CD1-O 3.26Å; F498-N511 HydrophobicContact CD1-CB 4.09Å; F498-N511 HydrophobicContact CE1-CB 3.81Å; F498-E518 HydrophobicContact CD1-CG 4.23Å; F498-E518 HydrophobicContact CE1-CG 3.81Å
499	T	92.8	Very high	91	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.6	171.6	-53.8	0	0	0	0	109.5	I443 W445 F491 F501 F510 N512	I443-T499 HydrophobicContact CD1-CG2 3.75Å; W445-T499 WeakPolarHBondContact CZ2-OG1 3.19Å; W445-T499 PolarHBondContact NE1-OG1 2.89Å; F491-T499 CarbonylContact O-C 3.52Å; F491-T499 WeakPolarHBondContact O-CA 3.45Å; T499-F501 HydrophobicContact CG2-CD2 4.12Å; T499-F501 HydrophobicContact CG2-CE2 3.53Å; T499-F501 HydrophobicContact CG2-CZ 3.83Å; T499-F510 PolarHBondContact N-O 3.49Å; T499-F510 WeakPolarHBondContact O-CA 3.41Å; T499-F510 VanDerWaalsContact O-CB 3.29Å; T499-F510 WeakPolarHBondContact O-CB 3.21Å; T499-F510 PolarHBondContact O-N 3.27Å; T499-N512 WeakPolarHBondContact CB-OD1 3.5Å; T499-N512 VanDerWaalsContact OG1-CG 3.25Å; T499-N512 PolarHBondContact OG1-ND2 2.75Å; T499-N512 PolarHBondContact OG1-OD1 3.43Å
500	Y	94.7	Very high	91	Very high	19 Å²	19	43.1 Å²	43.1	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.9	179	-69.7	-108.1	0	0	0	108.1	A490 F491 H493 N496 F498 Y507 W508 K509 F529	A490-Y500 CarbonylContact C-O 3.45Å; A490-Y500 WeakPolarHBondContact CA-O 3.2Å; A490-Y500 WeakPolarHBondContact CB-O 3.44Å; F491-Y500 HydrophobicContact CD2-CD2 4.44Å; F491-Y500 AromaticContact CE2-CD2 3.91Å; F491-Y500 HydrophobicContact CE2-CD2 3.91Å; F491-Y500 AromaticContact CE2-CG 3.81Å; F491-Y500 HydrophobicContact CE2-CG 3.81Å; F491-Y500 VanDerWaalsContact CZ-CB 3.44Å; F491-Y500 HydrophobicContact CZ-CD1 4.27Å; F491-Y500 HydrophobicContact CZ-CD2 4.37Å; F491-Y500 AromaticContact CZ-CG 3.8Å; F491-Y500 HydrophobicContact CZ-CG 3.8Å; F491-Y500 PolarHBondContact N-O 3.25Å; F491-Y500 PolarHBondContact O-N 2.88Å; H493-Y500 HydrophobicContact CB-CD2 4.02Å; H493-Y500 HydrophobicContact CB-CE2 3.59Å; N496-Y500 PolarHBondContact ND2-OH 2.99Å; N496-Y500 VanDerWaalsContact ND2-OH 3.11Å; F498-Y500 HydrophobicContact CB-CD2 4.47Å; F498-Y500 HydrophobicContact CB-CE2 3.84Å; Y500-Y507 AromaticContact CD1-CD2 3.64Å; Y500-Y507 HydrophobicContact CD1-CD2 3.64Å; Y500-Y507 AromaticContact CD1-CE2 3.67Å; Y500-Y507 HydrophobicContact CD1-CE2 3.67Å; Y500-Y507 HydrophobicContact CE1-CD2 4.24Å; Y500-Y507 AromaticContact CE1-CE2 3.79Å; Y500-Y507 HydrophobicContact CE1-CE2 3.79Å; Y500-W508 WeakPolarHBondContact CA-O 3.36Å; Y500-K509 HydrophobicContact CD1-CB 4.4Å; Y500-K509 HydrophobicContact CE1-CB 4.1Å; Y500-K509 HydrophobicContact CE1-CD 4.38Å; Y500-K509 HydrophobicContact CE1-CG 4.04Å; Y500-K509 HydrophobicContact CE2-CG 4.39Å; Y500-F529 HydrophobicContact CD1-CE2 4.38Å; Y500-F529 AromaticContact CD1-CZ 3.9Å; Y500-F529 HydrophobicContact CD1-CZ 3.9Å; Y500-F529 HydrophobicContact CE1-CZ 4.01Å
501	F	96.5	Very high	90.9	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.9	174.4	-69.6	-91.6	0	0	0	109.7	I443 F454 W480 I483 P487 A490 T499 Y507 W508 F510	I443-F501 HydrophobicContact CD1-CZ 4.44Å; F454-F501 HydrophobicContact CD2-CE1 4.5Å; F454-F501 AromaticContact CE1-CE1 3.92Å; F454-F501 HydrophobicContact CE1-CE1 3.92Å; F454-F501 HydrophobicContact CE1-CZ 4.3Å; F454-F501 AromaticContact CE2-CE1 3.92Å; F454-F501 HydrophobicContact CE2-CE1 3.92Å; F454-F501 HydrophobicContact CE2-CZ 4.44Å; F454-F501 AromaticContact CZ-CE1 3.61Å; F454-F501 HydrophobicContact CZ-CE1 3.61Å; F454-F501 AromaticContact CZ-CZ 3.84Å; F454-F501 HydrophobicContact CZ-CZ 3.84Å; W480-F501 HydrophobicContact CD2-CZ 4.34Å; W480-F501 AromaticContact CE3-CE2 3.98Å; W480-F501 HydrophobicContact CE3-CE2 3.98Å; W480-F501 AromaticContact CE3-CZ 3.68Å; W480-F501 HydrophobicContact CE3-CZ 3.68Å; W480-F501 HydrophobicContact CZ3-CE2 4.2Å; W480-F501 AromaticContact CZ3-CZ 3.79Å; W480-F501 HydrophobicContact CZ3-CZ 3.79Å; I483-F501 HydrophobicContact CB-CD2 4.43Å; I483-F501 HydrophobicContact CB-CG 4.41Å; I483-F501 HydrophobicContact CD1-CD1 4Å; I483-F501 HydrophobicContact CD1-CD2 4.42Å; I483-F501 HydrophobicContact CD1-CE1 3.77Å; I483-F501 HydrophobicContact CD1-CE2 4.19Å; I483-F501 HydrophobicContact CD1-CG 4.32Å; I483-F501 HydrophobicContact CD1-CZ 3.87Å; I483-F501 HydrophobicContact CG2-CD2 3.67Å; I483-F501 HydrophobicContact CG2-CE2 3.99Å; I483-F501 HydrophobicContact CG2-CG 4.12Å; P487-F501 HydrophobicContact CB-CD1 3.92Å; P487-F501 HydrophobicContact CG-CD1 4.08Å; A490-F501 HydrophobicContact CB-CD1 3.7Å; A490-F501 HydrophobicContact CB-CE1 3.91Å; A490-F501 HydrophobicContact CB-CG 4.31Å; T499-F501 HydrophobicContact CG2-CD2 4.12Å; T499-F501 HydrophobicContact CG2-CE2 3.53Å; T499-F501 HydrophobicContact CG2-CZ 3.83Å; F501-Y507 CarbonylContact O-C 3.56Å; F501-Y507 WeakPolarHBondContact O-CA 3.33Å; F501-Y507 WeakPolarHBondContact O-CB 3.32Å; F501-W508 HydrophobicContact CB-CB 4.48Å; F501-W508 PolarHBondContact N-O 3.05Å; F501-W508 PolarHBondContact O-N 3.32Å; F501-F510 HydrophobicContact CD2-CB 3.95Å; F501-F510 HydrophobicContact CE2-CB 3.83Å; F501-F510 HydrophobicContact CE2-CD1 4.4Å; F501-F510 HydrophobicContact CE2-CG 4.07Å
502	Y	95.9	Very high	90.5	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.7	-178.5	163.4	-108.1	0	0	0	111.3	F347 L350 Q488 G489 G504 E506 I525	F347-Y502 HydrophobicContact CB-CE1 3.96Å; F347-Y502 HydrophobicContact CD2-CE1 4.18Å; F347-Y502 HydrophobicContact CD2-CE2 4.19Å; F347-Y502 AromaticContact CD2-CZ 3.65Å; F347-Y502 WeakPolarHBondContact CD2-OH 3.31Å; F347-Y502 PolarHBondContact N-OH 2.98Å; L350-Y502 HydrophobicContact CD2-CD1 3.54Å; L350-Y502 HydrophobicContact CD2-CD2 4Å; L350-Y502 HydrophobicContact CD2-CE1 4.06Å; L350-Y502 HydrophobicContact CD2-CE2 4.49Å; L350-Y502 HydrophobicContact CD2-CG 3.49Å; L350-Y502 VanDerWaalsContact CD2-CG 3.49Å; L350-Y502 HydrophobicContact CG-CD1 4Å; L350-Y502 HydrophobicContact CG-CG 4.19Å; Q488-Y502 HydrophobicContact CB-CD1 3.9Å; Q488-Y502 HydrophobicContact CB-CE1 3.95Å; Q488-Y502 PolarHBondContact N-O 2.97Å; G489-Y502 PolarHBondContact N-O 2.81Å; G489-Y502 PolarHBondContact O-N 2.89Å; Y502-G504 WeakPolarHBondContact CE2-O 3.42Å; Y502-G504 PolarHBondContact OH-O 3.21Å; Y502-E506 VanDerWaalsContact CD2-O 3.28Å; Y502-E506 WeakPolarHBondContact CD2-O 3.49Å; Y502-I525 HydrophobicContact CD2-CB 4.34Å; Y502-I525 HydrophobicContact CD2-CD1 3.5Å; Y502-I525 VanDerWaalsContact CD2-CD1 3.5Å; Y502-I525 HydrophobicContact CD2-CG2 4.01Å; Y502-I525 HydrophobicContact CE2-CD1 4.16Å; Y502-I525 HydrophobicContact CE2-CG2 3.73Å; Y502-I525 HydrophobicContact CG-CD1 4.02Å
503	K	95	Very high	90.2	Very high	74 Å²	74	52.4 Å²	52.4	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	129.6	169.8	-166.6	175.6	-176.9	178.6	0	110.3	P484 E485 Q488 K505 E506 W508	P484-K503 HydrophobicContact CB-CD 3.78Å; P484-K503 HydrophobicContact CG-CB 4.02Å; P484-K503 HydrophobicContact CG-CD 3.89Å; E485-K503 WeakPolarHBondContact O-CE 3.47Å; E485-K503 PolarHBondContact O-NZ 2.71Å; Q488-K503 HydrophobicContact CG-CG 4.38Å; K503-K505 PolarHBondContact O-N 2.72Å; K503-K505 VanDerWaalsContact O-N 3.14Å; K503-E506 PolarHBondContact N-O 2.91Å; K503-E506 PolarHBondContact O-N 2.84Å; K503-E506 VanDerWaalsContact O-O 3.12Å; K503-W508 HydrophobicContact CB-CH2 4.04Å; K503-W508 HydrophobicContact CB-CZ3 3.7Å
504	G	92.1	Very high	90.3	Very high	21 Å²	21	55 Å²	55	22%	0.216	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-105.7	177.2	0	0	0	0	0	113	Y502	Y502-G504 WeakPolarHBondContact CE2-O 3.42Å; Y502-G504 PolarHBondContact OH-O 3.21Å
505	K	92.9	Very high	90.9	Very high	99 Å²	99	52.8 Å²	52.8	43%	0.43	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	8.9	175.3	-63.3	-172.7	176.7	-167.9	0	112.3	D344 K503 I525 L526	D344-K505 WeakPolarHBondContact O-CE 3.19Å; D344-K505 PolarHBondContact O-NZ 3.4Å; K503-K505 PolarHBondContact O-N 2.72Å; K503-K505 VanDerWaalsContact O-N 3.14Å; K505-I525 PolarHBondContact O-N 3.38Å; K505-I525 VanDerWaalsContact O-N 3.11Å; K505-L526 HydrophobicContact CB-CD1 4.48Å; K505-L526 HydrophobicContact CD-CD1 4.06Å; K505-L526 HydrophobicContact CG-CD1 4.28Å
506	E	95.2	Very high	91.5	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.4	-167.5	-69.1	-176.6	135.3	0	0	111	Y502 K503 W508 P522 R523	Y502-E506 VanDerWaalsContact CD2-O 3.28Å; Y502-E506 WeakPolarHBondContact CD2-O 3.49Å; K503-E506 PolarHBondContact N-O 2.91Å; K503-E506 PolarHBondContact O-N 2.84Å; K503-E506 VanDerWaalsContact O-O 3.12Å; E506-W508 HydrophobicContact CB-CH2 3.61Å; E506-W508 HydrophobicContact CB-CZ2 4.33Å; E506-W508 HydrophobicContact CB-CZ3 3.82Å; E506-W508 WeakPolarHBondContact O-CZ3 3.49Å; E506-P522 HydrophobicContact CB-CB 3.83Å; E506-P522 HydrophobicContact CG-CB 4.16Å; E506-R523 CarbonylContact C-O 3.57Å; E506-R523 VanDerWaalsContact CA-O 3.29Å; E506-R523 WeakPolarHBondContact CA-O 3.38Å
507	Y	96.2	Very high	92	Very high	8 Å²	8	48.1 Å²	48.1	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152	170.7	78.5	-84.6	0	0	0	111.8	Y500 F501 Y521 P522 R523 I525 D528 F529	Y500-Y507 AromaticContact CD1-CD2 3.64Å; Y500-Y507 HydrophobicContact CD1-CD2 3.64Å; Y500-Y507 AromaticContact CD1-CE2 3.67Å; Y500-Y507 HydrophobicContact CD1-CE2 3.67Å; Y500-Y507 HydrophobicContact CE1-CD2 4.24Å; Y500-Y507 AromaticContact CE1-CE2 3.79Å; Y500-Y507 HydrophobicContact CE1-CE2 3.79Å; F501-Y507 CarbonylContact O-C 3.56Å; F501-Y507 WeakPolarHBondContact O-CA 3.33Å; F501-Y507 WeakPolarHBondContact O-CB 3.32Å; Y507-Y521 HydrophobicContact CD2-CD1 4.27Å; Y507-Y521 HydrophobicContact CD2-CE1 4.09Å; Y507-Y521 AromaticContact CE2-CD1 3.9Å; Y507-Y521 HydrophobicContact CE2-CD1 3.9Å; Y507-Y521 AromaticContact CE2-CE1 3.31Å; Y507-Y521 HydrophobicContact CE2-CE1 3.31Å; Y507-Y521 AromaticContact CZ-CE1 3.67Å; Y507-P522 VanDerWaalsContact O-CA 3.27Å; Y507-P522 WeakPolarHBondContact O-CA 3.33Å; Y507-R523 HydrophobicContact CD1-CB 4.16Å; Y507-R523 WeakPolarHBondContact CD1-O 3.23Å; Y507-R523 HydrophobicContact CE1-CB 3.43Å; Y507-R523 VanDerWaalsContact CE1-CB 3.43Å; Y507-R523 PolarHBondContact N-O 2.86Å; Y507-R523 PolarHBondContact O-N 3.41Å; Y507-I525 HydrophobicContact CD1-CB 3.99Å; Y507-I525 HydrophobicContact CD1-CG1 4.38Å; Y507-D528 HydrophobicContact CE1-CB 3.86Å; Y507-D528 VanDerWaalsContact CE1-OD2 3.26Å; Y507-D528 WeakPolarHBondContact CE1-OD2 3.3Å; Y507-D528 PolarHBondContact OH-OD2 3.32Å; Y507-F529 HydrophobicContact CD1-CD2 4.29Å; Y507-F529 HydrophobicContact CD1-CE2 4.08Å; Y507-F529 AromaticContact CD2-CE2 3.99Å; Y507-F529 HydrophobicContact CD2-CE2 3.99Å; Y507-F529 HydrophobicContact CE1-CD2 4.11Å; Y507-F529 AromaticContact CE1-CE2 3.83Å; Y507-F529 HydrophobicContact CE1-CE2 3.83Å; Y507-F529 AromaticContact CE2-CE2 3.69Å; Y507-F529 HydrophobicContact CE2-CE2 3.69Å; Y507-F529 HydrophobicContact CE2-CZ 4.39Å; Y507-F529 HydrophobicContact CG-CE2 4.16Å; Y507-F529 AromaticContact CZ-CE2 3.64Å
508	W	97.4	Very high	92.6	Very high	26 Å²	26	49.1 Å²	49.1	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.2	179.9	-65.4	-106.9	0	0	0	109.2	G482 P484 Y500 F501 K503 E506 V517 P522	G482-W508 VanDerWaalsContact O-CD1 3.31Å; P484-W508 HydrophobicContact CB-CH2 4.42Å; P484-W508 HydrophobicContact CB-CZ2 4.36Å; P484-W508 HydrophobicContact CG-CD2 4.11Å; P484-W508 HydrophobicContact CG-CE3 3.86Å; P484-W508 HydrophobicContact CG-CH2 3.78Å; P484-W508 HydrophobicContact CG-CZ2 3.95Å; P484-W508 HydrophobicContact CG-CZ3 3.72Å; Y500-W508 WeakPolarHBondContact CA-O 3.36Å; F501-W508 HydrophobicContact CB-CB 4.48Å; F501-W508 PolarHBondContact N-O 3.05Å; F501-W508 PolarHBondContact O-N 3.32Å; K503-W508 HydrophobicContact CB-CH2 4.04Å; K503-W508 HydrophobicContact CB-CZ3 3.7Å; E506-W508 HydrophobicContact CB-CH2 3.61Å; E506-W508 HydrophobicContact CB-CZ2 4.33Å; E506-W508 HydrophobicContact CB-CZ3 3.82Å; E506-W508 WeakPolarHBondContact O-CZ3 3.49Å; W508-V517 HydrophobicContact CB-CG1 4.26Å; W508-V517 HydrophobicContact CB-CG2 4.06Å; W508-P522 HydrophobicContact CD2-CB 4.12Å; W508-P522 HydrophobicContact CH2-CB 4.33Å; W508-P522 HydrophobicContact CZ2-CB 3.78Å; W508-P522 HydrophobicContact CZ2-CG 3.99Å
509	K	96.1	Very high	92.7	Very high	37 Å²	37	53 Å²	53	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.1	170.9	-177.4	-176.2	175.5	-166.7	0	109.2	F498 Y500 V517 E518 Y521	F498-K509 HydrophobicContact CB-CG 3.99Å; F498-K509 HydrophobicContact CD1-CD 4.31Å; F498-K509 VanDerWaalsContact CD1-CE 3.44Å; F498-K509 HydrophobicContact CD1-CG 3.99Å; F498-K509 HydrophobicContact CG-CD 4.3Å; F498-K509 HydrophobicContact CG-CG 4.07Å; Y500-K509 HydrophobicContact CD1-CB 4.4Å; Y500-K509 HydrophobicContact CE1-CB 4.1Å; Y500-K509 HydrophobicContact CE1-CD 4.38Å; Y500-K509 HydrophobicContact CE1-CG 4.04Å; Y500-K509 HydrophobicContact CE2-CG 4.39Å; K509-V517 WeakPolarHBondContact O-CA 3.43Å; K509-E518 HydrophobicContact CD-CB 4.45Å; K509-E518 HydrophobicContact CD-CG 4.15Å; K509-E518 HydrophobicContact CG-CG 4.2Å; K509-E518 PolarHBondContact O-N 2.76Å; K509-Y521 HydrophobicContact CB-CD1 3.92Å; K509-Y521 HydrophobicContact CB-CD2 3.85Å; K509-Y521 HydrophobicContact CB-CE1 3.58Å; K509-Y521 HydrophobicContact CB-CE2 3.49Å; K509-Y521 VanDerWaalsContact CB-CE2 3.49Å; K509-Y521 HydrophobicContact CB-CG 4.04Å; K509-Y521 HydrophobicContact CD-CE2 3.83Å; K509-Y521 WeakPolarHBondContact CD-OH 3.34Å; K509-Y521 HydrophobicContact CG-CE2 4.26Å
510	F	93.4	Very high	92.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.1	-176.2	-172.7	-94.8	0	0	0	111.2	W480 I483 F498 T499 F501 N512 L515 V517	W480-F510 HydrophobicContact CB-CE2 3.95Å; W480-F510 HydrophobicContact CB-CZ 4.04Å; W480-F510 HydrophobicContact CD2-CE1 4.4Å; W480-F510 HydrophobicContact CD2-CZ 4.29Å; W480-F510 AromaticContact CE3-CD1 3.8Å; W480-F510 HydrophobicContact CE3-CD1 3.8Å; W480-F510 AromaticContact CE3-CE1 3.38Å; W480-F510 HydrophobicContact CE3-CE1 3.38Å; W480-F510 HydrophobicContact CE3-CE2 4.3Å; W480-F510 HydrophobicContact CE3-CG 4.4Å; W480-F510 AromaticContact CE3-CZ 3.65Å; W480-F510 HydrophobicContact CE3-CZ 3.65Å; W480-F510 HydrophobicContact CG-CZ 4.49Å; W480-F510 HydrophobicContact CZ3-CD1 4.07Å; W480-F510 AromaticContact CZ3-CE1 3.81Å; W480-F510 HydrophobicContact CZ3-CE1 3.81Å; W480-F510 HydrophobicContact CZ3-CZ 4.49Å; I483-F510 HydrophobicContact CG2-CB 4.48Å; I483-F510 HydrophobicContact CG2-CD2 3.67Å; I483-F510 HydrophobicContact CG2-CE2 4.29Å; I483-F510 HydrophobicContact CG2-CG 4.34Å; F498-F510 WeakPolarHBondContact CD1-O 3.26Å; T499-F510 PolarHBondContact N-O 3.49Å; T499-F510 WeakPolarHBondContact O-CA 3.41Å; T499-F510 VanDerWaalsContact O-CB 3.29Å; T499-F510 WeakPolarHBondContact O-CB 3.21Å; T499-F510 PolarHBondContact O-N 3.27Å; F501-F510 HydrophobicContact CD2-CB 3.95Å; F501-F510 HydrophobicContact CE2-CB 3.83Å; F501-F510 HydrophobicContact CE2-CD1 4.4Å; F501-F510 HydrophobicContact CE2-CG 4.07Å; F510-N512 WeakPolarHBondContact CD1-OD1 3.2Å; F510-N512 PolarHBondContact O-N 2.83Å; F510-L515 HydrophobicContact CE1-CD2 3.99Å; F510-L515 VanDerWaalsContact CE2-C 3.47Å; F510-L515 HydrophobicContact CZ-CB 4.05Å; F510-L515 HydrophobicContact CZ-CD2 4.13Å; F510-V517 HydrophobicContact CD2-CG2 3.92Å
511	N	91.2	Very high	92.6	Very high	18 Å²	18	57.6 Å²	57.6	10%	0.096	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.7	176.6	-170.3	-39.1	0	0	0	110.1	F498 Q513 I514 L515 K516 E518	F498-N511 HydrophobicContact CD1-CB 4.09Å; F498-N511 HydrophobicContact CE1-CB 3.81Å; N511-Q513 PolarHBondContact O-N 3.44Å; N511-Q513 PolarHBondContact OD1-N 2.83Å; N511-I514 HydrophobicContact CB-CB 4.36Å; N511-I514 WeakPolarHBondContact ND2-CD1 3.48Å; N511-I514 PolarHBondContact O-N 2.77Å; N511-I514 PolarHBondContact OD1-N 3.19Å; N511-L515 WeakPolarHBondContact O-CA 3.31Å; N511-L515 PolarHBondContact O-N 2.81Å; N511-K516 WeakPolarHBondContact CB-O 3.28Å; N511-K516 PolarHBondContact N-O 2.7Å; N511-K516 PolarHBondContact O-N 2.98Å; N511-E518 HydrophobicContact CB-CG 4.34Å; N511-E518 WeakPolarHBondContact CB-OE1 3.5Å; N511-E518 PolarHBondContact ND2-OE1 2.86Å
512	N	85.4	Confident	92.6	Very high	35 Å²	35	60.2 Å²	60.2	19%	0.187	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.8	-175.1	-62.5	-20.3	0	0	0	113.1	W445 G497 T499 F510 L515	W445-N512 HydrophobicContact CH2-CB 4.44Å; W445-N512 HydrophobicContact CZ2-CB 4.11Å; W445-N512 WeakPolarHBondContact CZ2-OD1 3.37Å; G497-N512 PolarHBondContact O-ND2 3Å; T499-N512 WeakPolarHBondContact CB-OD1 3.5Å; T499-N512 VanDerWaalsContact OG1-CG 3.25Å; T499-N512 PolarHBondContact OG1-ND2 2.75Å; T499-N512 PolarHBondContact OG1-OD1 3.43Å; F510-N512 WeakPolarHBondContact CD1-OD1 3.2Å; F510-N512 PolarHBondContact O-N 2.83Å; N512-L515 WeakPolarHBondContact O-CD2 3.38Å
513	Q	82.5	Confident	92.5	Very high	184 Å²	184	65.3 Å²	65.3	86%	0.86	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-41	179.9	-62.3	178.4	-10.4	0	0	111.9	N511	N511-Q513 PolarHBondContact O-N 3.44Å; N511-Q513 PolarHBondContact OD1-N 2.83Å
514	I	87.8	Confident	92.5	Very high	114 Å²	114	64.1 Å²	64.1	59%	0.585	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.7	-178.1	-53.7	176.9	0	0	0	111.4	N511 K516	N511-I514 HydrophobicContact CB-CB 4.36Å; N511-I514 WeakPolarHBondContact ND2-CD1 3.48Å; N511-I514 PolarHBondContact O-N 2.77Å; N511-I514 PolarHBondContact OD1-N 3.19Å; I514-K516 VanDerWaalsContact C-N 3.31Å; I514-K516 HydrophobicContact CG2-CB 4.2Å; I514-K516 PolarHBondContact O-N 3.07Å
515	L	87.5	Confident	92.6	Very high	72 Å²	72	63.1 Å²	63.1	38%	0.377	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	45.1	-174	-60.8	176.1	0	0	0	112.7	K481 F510 N511 N512	K481-L515 WeakPolarHBondContact CB-O 3.49Å; K481-L515 PolarHBondContact N-O 2.87Å; F510-L515 HydrophobicContact CE1-CD2 3.99Å; F510-L515 VanDerWaalsContact CE2-C 3.47Å; F510-L515 HydrophobicContact CZ-CB 4.05Å; F510-L515 HydrophobicContact CZ-CD2 4.13Å; N511-L515 WeakPolarHBondContact O-CA 3.31Å; N511-L515 PolarHBondContact O-N 2.81Å; N512-L515 WeakPolarHBondContact O-CD2 3.38Å
516	K	89.6	Confident	92.6	Very high	124 Å²	124	59.3 Å²	59.3	54%	0.539	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.7	-178.8	-166.5	-177.9	174.9	-176.6	0	111.2	K481 N511 I514	K481-K516 HydrophobicContact CB-CB 4.36Å; K481-K516 HydrophobicContact CB-CG 4.13Å; K481-K516 CarbonylContact O-C 3.56Å; K481-K516 WeakPolarHBondContact O-CA 3.44Å; N511-K516 WeakPolarHBondContact CB-O 3.28Å; N511-K516 PolarHBondContact N-O 2.7Å; N511-K516 PolarHBondContact O-N 2.98Å; I514-K516 VanDerWaalsContact C-N 3.31Å; I514-K516 HydrophobicContact CG2-CB 4.2Å; I514-K516 PolarHBondContact O-N 3.07Å
517	V	94.3	Very high	92.3	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.3	167.7	173	0	0	0	0	110.6	K481 I483 W508 K509 F510	K481-V517 PolarHBondContact O-N 3.03Å; I483-V517 HydrophobicContact CG2-CG2 3.7Å; W508-V517 HydrophobicContact CB-CG1 4.26Å; W508-V517 HydrophobicContact CB-CG2 4.06Å; K509-V517 WeakPolarHBondContact O-CA 3.43Å; F510-V517 HydrophobicContact CD2-CG2 3.92Å
518	E	96.5	Very high	92.1	Very high	52 Å²	52	62 Å²	62	24%	0.243	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63.9	149.2	177.2	-72.7	-73.8	115.8	0	0	111.3	F498 K509 N511 Y521	F498-E518 HydrophobicContact CD1-CG 4.23Å; F498-E518 HydrophobicContact CE1-CG 3.81Å; K509-E518 HydrophobicContact CD-CB 4.45Å; K509-E518 HydrophobicContact CD-CG 4.15Å; K509-E518 HydrophobicContact CG-CG 4.2Å; K509-E518 PolarHBondContact O-N 2.76Å; N511-E518 HydrophobicContact CB-CG 4.34Å; N511-E518 WeakPolarHBondContact CB-OE1 3.5Å; N511-E518 PolarHBondContact ND2-OE1 2.86Å; E518-Y521 HydrophobicContact CB-CD2 3.87Å; E518-Y521 HydrophobicContact CB-CE2 3.92Å; E518-Y521 WeakPolarHBondContact O-CD2 3.1Å
519	P	94	Very high	91.7	Very high	119 Å²	119	62.1 Å²	62.1	77%	0.773	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	143.8	172.3	-23.2	34	0	0	0	112.2
520	G	91.5	Very high	91.5	Very high	66 Å²	66	60.6 Å²	60.6	68%	0.68	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	9.8	178.2	0	0	0	0	0	115.6	R523	G520-R523 VanDerWaalsContact O-CG 3.28Å; G520-R523 WeakPolarHBondContact O-CG 3.17Å
521	Y	94.8	Very high	91.2	Very high	50 Å²	50	62.6 Å²	62.6	20%	0.196	34%	0.34	C	S	.	.			trans	-113.6	149.8	174.8	-67.6	-86.8	0	0	0	111.1	Y507 K509 E518 R523	Y507-Y521 HydrophobicContact CD2-CD1 4.27Å; Y507-Y521 HydrophobicContact CD2-CE1 4.09Å; Y507-Y521 AromaticContact CE2-CD1 3.9Å; Y507-Y521 HydrophobicContact CE2-CD1 3.9Å; Y507-Y521 AromaticContact CE2-CE1 3.31Å; Y507-Y521 HydrophobicContact CE2-CE1 3.31Å; Y507-Y521 AromaticContact CZ-CE1 3.67Å; K509-Y521 HydrophobicContact CB-CD1 3.92Å; K509-Y521 HydrophobicContact CB-CD2 3.85Å; K509-Y521 HydrophobicContact CB-CE1 3.58Å; K509-Y521 HydrophobicContact CB-CE2 3.49Å; K509-Y521 VanDerWaalsContact CB-CE2 3.49Å; K509-Y521 HydrophobicContact CB-CG 4.04Å; K509-Y521 HydrophobicContact CD-CE2 3.83Å; K509-Y521 WeakPolarHBondContact CD-OH 3.34Å; K509-Y521 HydrophobicContact CG-CE2 4.26Å; E518-Y521 HydrophobicContact CB-CD2 3.87Å; E518-Y521 HydrophobicContact CB-CE2 3.92Å; E518-Y521 WeakPolarHBondContact O-CD2 3.1Å; Y521-R523 HydrophobicContact CD1-CB 4.11Å; Y521-R523 HydrophobicContact CD1-CG 3.82Å; Y521-R523 HydrophobicContact CE1-CB 4.17Å; Y521-R523 HydrophobicContact CE1-CG 3.86Å; Y521-R523 HydrophobicContact CG-CG 4.5Å
522	P	95.6	Very high	91	Very high	56 Å²	56	62.6 Å²	62.6	36%	0.364	34%	0.341	S	S	.	.	S	Bend	cis	-71.5	154.9	9.1	25.6	-31.9	0	0	0	115.3	E506 Y507 W508	E506-P522 HydrophobicContact CB-CB 3.83Å; E506-P522 HydrophobicContact CG-CB 4.16Å; Y507-P522 VanDerWaalsContact O-CA 3.27Å; Y507-P522 WeakPolarHBondContact O-CA 3.33Å; W508-P522 HydrophobicContact CD2-CB 4.12Å; W508-P522 HydrophobicContact CH2-CB 4.33Å; W508-P522 HydrophobicContact CZ2-CB 3.78Å; W508-P522 HydrophobicContact CZ2-CG 3.99Å
523	R	94.7	Very high	90.6	Very high	109 Å²	109	66.7 Å²	66.7	41%	0.411	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	163.4	170.3	-68.7	-173.5	66.3	-161.7	-9.6	110.6	E506 Y507 G520 Y521 I525 D528	E506-R523 CarbonylContact C-O 3.57Å; E506-R523 VanDerWaalsContact CA-O 3.29Å; E506-R523 WeakPolarHBondContact CA-O 3.38Å; Y507-R523 HydrophobicContact CD1-CB 4.16Å; Y507-R523 WeakPolarHBondContact CD1-O 3.23Å; Y507-R523 HydrophobicContact CE1-CB 3.43Å; Y507-R523 VanDerWaalsContact CE1-CB 3.43Å; Y507-R523 PolarHBondContact N-O 2.86Å; Y507-R523 PolarHBondContact O-N 3.41Å; G520-R523 VanDerWaalsContact O-CG 3.28Å; G520-R523 WeakPolarHBondContact O-CG 3.17Å; Y521-R523 HydrophobicContact CD1-CB 4.11Å; Y521-R523 HydrophobicContact CD1-CG 3.82Å; Y521-R523 HydrophobicContact CE1-CB 4.17Å; Y521-R523 HydrophobicContact CE1-CG 3.86Å; Y521-R523 HydrophobicContact CG-CG 4.5Å; R523-I525 PolarHBondContact O-N 2.94Å; R523-D528 IonicContact CZ-OD1 3.43Å; R523-D528 IonicContact CZ-OD2 3.49Å; R523-D528 IonicContact NE-OD2 3.45Å; R523-D528 PolarHBondContact NE-OD2 2.8Å; R523-D528 IonicContact NH1-OD2 3.55Å; R523-D528 IonicContact NH2-OD1 2.78Å; R523-D528 PolarHBondContact NH2-OD1 2.9Å; R523-D528 IonicContact NH2-OD2 2.92Å; R523-D528 PolarHBondContact NH2-OD2 3.16Å
524	S	94.3	Very high	89.2	Confident	49 Å²	49	60.4 Å²	60.4	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.3	-179.3	174.5	0	0	0	0	111.4	L526 K527 D528	S524-L526 VanDerWaalsContact C-N 3.25Å; S524-L526 PolarHBondContact O-N 3.05Å; S524-L526 PolarHBondContact OG-N 2.8Å; S524-K527 PolarHBondContact O-N 2.98Å; S524-K527 PolarHBondContact OG-N 3.22Å; S524-D528 WeakPolarHBondContact O-CB 3.16Å; S524-D528 PolarHBondContact O-N 2.87Å; S524-D528 VanDerWaalsContact O-N 3.1Å
525	I	93.5	Very high	86.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-68.5	-30.9	176.4	-161	164.9	0	0	0	111.5	F347 L350 Y502 K505 Y507 R523 K527 F529 M530	F347-I525 HydrophobicContact CE2-CG2 4.34Å; L350-I525 HydrophobicContact CD2-CD1 3.35Å; Y502-I525 HydrophobicContact CD2-CB 4.34Å; Y502-I525 HydrophobicContact CD2-CD1 3.5Å; Y502-I525 VanDerWaalsContact CD2-CD1 3.5Å; Y502-I525 HydrophobicContact CD2-CG2 4.01Å; Y502-I525 HydrophobicContact CE2-CD1 4.16Å; Y502-I525 HydrophobicContact CE2-CG2 3.73Å; Y502-I525 HydrophobicContact CG-CD1 4.02Å; K505-I525 PolarHBondContact O-N 3.38Å; K505-I525 VanDerWaalsContact O-N 3.11Å; Y507-I525 HydrophobicContact CD1-CB 3.99Å; Y507-I525 HydrophobicContact CD1-CG1 4.38Å; R523-I525 PolarHBondContact O-N 2.94Å; I525-K527 VanDerWaalsContact C-N 3.35Å; I525-K527 PolarHBondContact O-N 3.29Å; I525-F529 HydrophobicContact CG1-CB 4.02Å; I525-F529 HydrophobicContact CG1-CD2 3.84Å; I525-F529 HydrophobicContact CG1-CG 4.19Å; I525-F529 WeakPolarHBondContact O-CB 3.42Å; I525-F529 PolarHBondContact O-N 3.1Å; I525-M530 HydrophobicContact CD1-CE 4.12Å; I525-M530 HydrophobicContact CG1-CE 3.92Å; I525-M530 PolarHBondContact O-N 3.22Å
526	L	92.8	Very high	84.3	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-41.1	-179.1	-57.4	179.1	0	0	0	111	F347 K505 S524 M530 G531 C532	F347-L526 HydrophobicContact CE2-CD2 4.05Å; F347-L526 HydrophobicContact CZ-CD2 3.85Å; K505-L526 HydrophobicContact CB-CD1 4.48Å; K505-L526 HydrophobicContact CD-CD1 4.06Å; K505-L526 HydrophobicContact CG-CD1 4.28Å; S524-L526 VanDerWaalsContact C-N 3.25Å; S524-L526 PolarHBondContact O-N 3.05Å; S524-L526 PolarHBondContact OG-N 2.8Å; L526-M530 HydrophobicContact CD2-CG 4.17Å; L526-M530 WeakPolarHBondContact O-CB 3.42Å; L526-M530 PolarHBondContact O-N 3.08Å; L526-G531 PolarHBondContact O-N 3.46Å; L526-C532 HydrophobicContact CB-CB 4.13Å; L526-C532 WeakPolarHBondContact O-CB 3.29Å; L526-C532 PolarHBondContact O-N 3.19Å
527	K	90.5	Very high	81.7	Confident	132 Å²	132	65 Å²	65	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-73.4	-50.4	177.9	-175.2	177.5	179.5	176	0	111.5	S524 I525	S524-K527 PolarHBondContact O-N 2.98Å; S524-K527 PolarHBondContact OG-N 3.22Å; I525-K527 VanDerWaalsContact C-N 3.35Å; I525-K527 PolarHBondContact O-N 3.29Å
528	D	90.2	Very high	78.9	Confident	24 Å²	24	75.5 Å²	75.5	13%	0.128	43%	0.43	C	S	.	.	H	α-helix	trans	-84.8	-23.5	-166.3	-65.2	-12.5	0	0	0	113.8	N371 Y507 R523 S524	N371-D528 PolarHBondContact ND2-O 3.32Å; N371-D528 PolarHBondContact OD1-O 3.18Å; N371-D528 VanDerWaalsContact OD1-O 3.08Å; Y507-D528 HydrophobicContact CE1-CB 3.86Å; Y507-D528 VanDerWaalsContact CE1-OD2 3.26Å; Y507-D528 WeakPolarHBondContact CE1-OD2 3.3Å; Y507-D528 PolarHBondContact OH-OD2 3.32Å; R523-D528 IonicContact CZ-OD1 3.43Å; R523-D528 IonicContact CZ-OD2 3.49Å; R523-D528 IonicContact NE-OD2 3.45Å; R523-D528 PolarHBondContact NE-OD2 2.8Å; R523-D528 IonicContact NH1-OD2 3.55Å; R523-D528 IonicContact NH2-OD1 2.78Å; R523-D528 PolarHBondContact NH2-OD1 2.9Å; R523-D528 IonicContact NH2-OD2 2.92Å; R523-D528 PolarHBondContact NH2-OD2 3.16Å; S524-D528 WeakPolarHBondContact O-CB 3.16Å; S524-D528 PolarHBondContact O-N 2.87Å; S524-D528 VanDerWaalsContact O-N 3.1Å
529	F	90.1	Very high	76.1	Confident	28 Å²	28	79.3 Å²	79.3	12%	0.123	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-31.5	-177.4	-71.7	-92.6	0	0	0	114	M357 V368 N371 F491 Y500 Y507 I525	M357-F529 HydrophobicContact CE-CD1 3.47Å; M357-F529 VanDerWaalsContact CE-CD1 3.47Å; M357-F529 HydrophobicContact CE-CE1 3.77Å; M357-F529 HydrophobicContact CE-CG 4.34Å; M357-F529 HydrophobicContact SD-CB 4.39Å; M357-F529 HydrophobicContact SD-CD1 4.08Å; V368-F529 VanDerWaalsContact CG1-O 3.23Å; V368-F529 WeakPolarHBondContact CG1-O 3.44Å; N371-F529 VanDerWaalsContact CA-O 3.3Å; N371-F529 WeakPolarHBondContact CA-O 3.39Å; F491-F529 HydrophobicContact CE2-CE1 4.19Å; F491-F529 HydrophobicContact CE2-CZ 4.44Å; F491-F529 HydrophobicContact CZ-CD1 4.45Å; F491-F529 AromaticContact CZ-CE1 3.68Å; F491-F529 HydrophobicContact CZ-CE1 3.68Å; F491-F529 AromaticContact CZ-CZ 3.79Å; F491-F529 HydrophobicContact CZ-CZ 3.79Å; Y500-F529 HydrophobicContact CD1-CE2 4.38Å; Y500-F529 AromaticContact CD1-CZ 3.9Å; Y500-F529 HydrophobicContact CD1-CZ 3.9Å; Y500-F529 HydrophobicContact CE1-CZ 4.01Å; Y507-F529 HydrophobicContact CD1-CD2 4.29Å; Y507-F529 HydrophobicContact CD1-CE2 4.08Å; Y507-F529 AromaticContact CD2-CE2 3.99Å; Y507-F529 HydrophobicContact CD2-CE2 3.99Å; Y507-F529 HydrophobicContact CE1-CD2 4.11Å; Y507-F529 AromaticContact CE1-CE2 3.83Å; Y507-F529 HydrophobicContact CE1-CE2 3.83Å; Y507-F529 AromaticContact CE2-CE2 3.69Å; Y507-F529 HydrophobicContact CE2-CE2 3.69Å; Y507-F529 HydrophobicContact CE2-CZ 4.39Å; Y507-F529 HydrophobicContact CG-CE2 4.16Å; Y507-F529 AromaticContact CZ-CE2 3.64Å; I525-F529 HydrophobicContact CG1-CB 4.02Å; I525-F529 HydrophobicContact CG1-CD2 3.84Å; I525-F529 HydrophobicContact CG1-CG 4.19Å; I525-F529 WeakPolarHBondContact O-CB 3.42Å; I525-F529 PolarHBondContact O-N 3.1Å
530	M	92.2	Very high	73.2	Confident	5 Å²	5	83.2 Å²	83.2	3%	0.025	46%	0.461	C	S	.	.	S	Bend	trans	-94.8	-7.2	-173.7	-50.7	-57.3	154.8	0	0	114	I342 F347 M357 V359 V368 I525 L526 C532	I342-M530 HydrophobicContact CD1-CB 4.23Å; I342-M530 HydrophobicContact CD1-CG 4.25Å; I342-M530 HydrophobicContact CD1-SD 3.59Å; I342-M530 VanDerWaalsContact CD1-SD 3.59Å; I342-M530 HydrophobicContact CG1-CB 4.31Å; I342-M530 HydrophobicContact CG1-CG 4.28Å; I342-M530 HydrophobicContact CG1-SD 4.12Å; F347-M530 HydrophobicContact CE2-CE 4.05Å; F347-M530 HydrophobicContact CE2-CG 4.32Å; F347-M530 HydrophobicContact CE2-SD 4.46Å; F347-M530 HydrophobicContact CZ-CG 4.24Å; F347-M530 HydrophobicContact CZ-SD 4.46Å; M357-M530 HydrophobicContact SD-CE 3.94Å; V359-M530 HydrophobicContact CG2-CE 3.65Å; V359-M530 HydrophobicContact CG2-SD 3.96Å; V368-M530 HydrophobicContact CG1-SD 4.42Å; V368-M530 HydrophobicContact CG2-SD 3.98Å; I525-M530 HydrophobicContact CD1-CE 4.12Å; I525-M530 HydrophobicContact CG1-CE 3.92Å; I525-M530 PolarHBondContact O-N 3.22Å; L526-M530 HydrophobicContact CD2-CG 4.17Å; L526-M530 WeakPolarHBondContact O-CB 3.42Å; L526-M530 PolarHBondContact O-N 3.08Å; M530-C532 VanDerWaalsContact C-N 3.3Å; M530-C532 PolarHBondContact O-N 2.98Å
531	G	85.6	Confident	70.5	Confident	43 Å²	43	89 Å²	89	44%	0.443	47%	0.47	S	S	.	.			trans	71.7	23.3	-178.4	0	0	0	0	0	113.7	N371 L526 D533	N371-G531 WeakPolarHBondContact O-CA 3.36Å; N371-G531 PolarHBondContact O-N 3.5Å; L526-G531 PolarHBondContact O-N 3.46Å; G531-D533 PolarHBondContact O-N 3.36Å
532	C	86.8	Confident	67.5	Low	17 Å²	17	90.1 Å²	90.1	12%	0.115	50%	0.497	C	S	.	.			trans	-89	93.3	178.6	-58.2	0	0	0	0	109.9	C343 L526 M530	C343-C532 WeakPolarHBondContact CA-SG 3.43Å; C343-C532 HydrophobicContact CB-CB 3.84Å; C343-C532 WeakPolarHBondContact CB-SG 3.41Å; C343-C532 WeakPolarHBondContact SG-CB 3.27Å; C343-C532 CovalentContact SG-SG 2.04Å; C343-C532 PolarHBondContact SG-SG 3.03Å; L526-C532 HydrophobicContact CB-CB 4.13Å; L526-C532 WeakPolarHBondContact O-CB 3.29Å; L526-C532 PolarHBondContact O-N 3.19Å; M530-C532 VanDerWaalsContact C-N 3.3Å; M530-C532 PolarHBondContact O-N 2.98Å
533	D	76.8	Confident	64.5	Low	121 Å²	121	96 Å²	96	65%	0.647	52%	0.519	S	S	*	.			trans	-72.4	130.7	167.3	-68.8	-37.5	0	0	0	109.7	G531	G531-D533 PolarHBondContact O-N 3.36Å
534	G	54.8	Low	61.5	Low	53 Å²	53	96.4 Å²	96.4	55%	0.546	54%	0.539	S	S	.	.			trans	-64.1	161	176.6	0	0	0	0	0	112.2	T536	G534-T536 VanDerWaalsContact C-N 3.25Å; G534-T536 PolarHBondContact O-N 3.15Å
535	P	37.6	Very low	58.9	Low	136 Å²	136	99.6 Å²	99.6	88%	0.883	56%	0.559	S	S	*	*	S	Bend	trans	-76.1	74.2	178	31.9	-33	0	0	0	110.9
536	T	34	Very low	56.1	Low	119 Å²	119	104.8 Å²	104.8	73%	0.73	59%	0.592	S	S	*	*			trans	-155.6	131.8	167	42.8	0	0	0	0	110.2	G534	G534-T536 VanDerWaalsContact C-N 3.25Å; G534-T536 PolarHBondContact O-N 3.15Å
537	D	34.9	Very low	53.6	Low	152 Å²	152	111 Å²	111	81%	0.813	63%	0.625	S	S	*	*			trans	82.8	50.7	166.2	-55.7	-24.6	0	0	0	120.4
538	R	36.1	Very low	50.8	Low	236 Å²	236	112 Å²	112	89%	0.891	64%	0.637	S	S	*	*			trans	-105.9	20.7	153.4	-70	-165.1	-176.7	-174.1	2.6	114.2
539	V	36.9	Very low	48.3	Very low	132 Å²	132	117 Å²	117	80%	0.8	67%	0.669	S	S	*	*	S	Bend	trans	-118.9	77.9	171.8	-172.8	0	0	0	0	108.4
540	K	33.2	Very low	45.5	Very low	202 Å²	202	122.6 Å²	122.6	88%	0.878	70%	0.7	S	S	*	*	S	Bend	trans	-177.2	136.8	149.7	-100.2	159.6	-169.8	-172.2	0	108.8
541	E	35.9	Very low	42.9	Very low	186 Å²	186	129.1 Å²	129.1	87%	0.869	73%	0.733	S	S	*	*			trans	83.5	75.7	172	-59	-176.1	-178.4	0	0	116.3	H543	E541-H543 PolarHBondContact O-N 2.96Å
542	G	30.9	Very low	40.4	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	75%	0.747	S	S	*	*			trans	-63.1	113.9	137.4	0	0	0	0	0	109.7
543	H	33.7	Very low	38.2	Very low	179 Å²	179	138.3 Å²	138.3	83%	0.829	77%	0.774	S	S	*	*			trans	-150.2	104	151.4	-116.5	66	0	0	0	107.3	E541 P545	E541-H543 PolarHBondContact O-N 2.96Å; H543-P545 WeakPolarHBondContact O-CD 3.04Å
544	S	29.8	Very low	36.1	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.9	126.6	163.3	-52.6	0	0	0	0	108.1
545	P	41.3	Very low	35.4	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.2	145.5	156.3	7.3	12.1	0	0	0	109.5	H543	H543-P545 WeakPolarHBondContact O-CD 3.04Å
546	P	34.6	Very low	35.5	Very low	108 Å²	108	146.4 Å²	146.4	70%	0.701	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-83.6	155.6	-179.9	35.6	-33	0	0	0	112
547	D	39.3	Very low	35.9	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	78%	0.784	S	S	*	*			trans	65.9	118.3	148	-53.7	-20.4	0	0	0	121.1
548	D	32.6	Very low	36.6	Very low	153 Å²	153	144 Å²	144	82%	0.818	77%	0.774	S	S	*	*			trans	22.2	111	140.4	-74.4	-20.2	0	0	0	118.9
549	V	37.6	Very low	37.1	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	76%	0.76	S	S	*	*			trans	-133.2	106.6	142.9	-172.8	0	0	0	0	108.2	I551	V549-I551 PolarHBondContact O-N 2.94Å
550	D	31.2	Very low	38	Very low	145 Å²	145	133 Å²	133	78%	0.775	74%	0.744	S	S	*	*			trans	-54.2	105.4	167.4	-83.3	-39.9	0	0	0	110.4	V552	D550-V552 VanDerWaalsContact C-N 3.34Å; D550-V552 PolarHBondContact O-N 3Å; D550-V552 VanDerWaalsContact O-N 3.14Å
551	I	37.2	Very low	39.1	Very low	142 Å²	142	126.9 Å²	126.9	73%	0.728	72%	0.723	S	S	*	*			trans	-82	90.6	163	-57.3	179.9	0	0	0	107	V549 I553	V549-I551 PolarHBondContact O-N 2.94Å; I551-I553 VanDerWaalsContact C-N 3.28Å; I551-I553 HydrophobicContact CG2-CG1 4Å; I551-I553 PolarHBondContact O-N 3.12Å
552	V	32.5	Very low	40.2	Very low	120 Å²	120	122.8 Å²	122.8	73%	0.727	71%	0.71	S	S	*	*			trans	-63.1	91.5	163.8	179.2	0	0	0	0	108	D550 K554	D550-V552 VanDerWaalsContact C-N 3.34Å; D550-V552 PolarHBondContact O-N 3Å; D550-V552 VanDerWaalsContact O-N 3.14Å; V552-K554 PolarHBondContact O-N 3.36Å; V552-K554 VanDerWaalsContact O-N 3.1Å
553	I	40.9	Very low	41.5	Very low	132 Å²	132	126.7 Å²	126.7	68%	0.677	71%	0.707	S	S	*	*			trans	-71.7	101.7	162.9	-55.9	177.5	0	0	0	105.9	I551 L555	I551-I553 VanDerWaalsContact C-N 3.28Å; I551-I553 HydrophobicContact CG2-CG1 4Å; I551-I553 PolarHBondContact O-N 3.12Å; I553-L555 VanDerWaalsContact C-N 3.32Å; I553-L555 PolarHBondContact O-N 3.26Å
554	K	33.4	Very low	43	Very low	185 Å²	185	120.6 Å²	120.6	80%	0.804	69%	0.687	S	S	*	*			trans	-58.1	100.7	161.6	-85.3	-178.6	175.7	175.1	0	107.3	V552 D556	V552-K554 PolarHBondContact O-N 3.36Å; V552-K554 VanDerWaalsContact O-N 3.1Å; K554-D556 VanDerWaalsContact C-N 3.27Å; K554-D556 PolarHBondContact O-N 2.69Å
555	L	39.4	Very low	45	Very low	157 Å²	157	119.7 Å²	119.7	82%	0.822	67%	0.672	S	S	*	*			trans	-63.4	97.1	162.5	-88.4	120.9	0	0	0	107	I553 N557	I553-L555 VanDerWaalsContact C-N 3.32Å; I553-L555 PolarHBondContact O-N 3.26Å; L555-N557 PolarHBondContact O-N 2.97Å
556	D	40.5	Very low	46.5	Very low	138 Å²	138	117.1 Å²	117.1	74%	0.738	66%	0.661	S	S	*	*			trans	-59.5	136.8	172.2	-129.9	-14.3	0	0	0	109	K554 T558	K554-D556 VanDerWaalsContact C-N 3.27Å; K554-D556 PolarHBondContact O-N 2.69Å; D556-T558 PolarHBondContact O-N 2.82Å; D556-T558 PolarHBondContact O-OG1 3.02Å; D556-T558 VanDerWaalsContact O-OG1 3.12Å
557	N	42	Very low	48.6	Very low	122 Å²	122	117.3 Å²	117.3	65%	0.652	66%	0.655	S	S	*	*	S	Bend	trans	-64.8	54.5	-167.9	-86.9	-30.5	0	0	0	114.5	L555 A559 S560 T561	L555-N557 PolarHBondContact O-N 2.97Å; N557-A559 VanDerWaalsContact C-N 3.31Å; N557-S560 PolarHBondContact O-OG 2.83Å; N557-S560 VanDerWaalsContact O-OG 3.09Å; N557-T561 PolarHBondContact O-OG1 2.59Å
558	T	49	Very low	50.5	Low	99 Å²	99	114 Å²	114	61%	0.607	64%	0.639	S	S	*	*	H	α-helix	trans	-74.5	-23.4	175.4	39.5	0	0	0	0	111.9	D556 T561 V562	D556-T558 PolarHBondContact O-N 2.82Å; D556-T558 PolarHBondContact O-OG1 3.02Å; D556-T558 VanDerWaalsContact O-OG1 3.12Å; T558-T561 WeakPolarHBondContact CA-OG1 3.33Å; T558-T561 PolarHBondContact O-OG1 2.84Å; T558-V562 VanDerWaalsContact O-CG2 3.27Å; T558-V562 WeakPolarHBondContact O-CG2 3.05Å; T558-V562 PolarHBondContact O-N 3.27Å
559	A	48.2	Very low	52.8	Low	73 Å²	73	111 Å²	111	60%	0.603	62%	0.623	S	S	*	*	H	α-helix	trans	-72.6	-27.9	176	0	0	0	0	0	113.6	N557 K563	N557-A559 VanDerWaalsContact C-N 3.31Å; A559-K563 WeakPolarHBondContact O-CG 3.44Å; A559-K563 PolarHBondContact O-N 3.44Å
560	S	54.6	Low	54.9	Low	65 Å²	65	108.3 Å²	108.3	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-82.3	-35.3	177.4	63.9	0	0	0	0	112.2	N557 K563 A564	N557-S560 PolarHBondContact O-OG 2.83Å; N557-S560 VanDerWaalsContact O-OG 3.09Å; S560-K563 PolarHBondContact O-N 3.4Å; S560-A564 WeakPolarHBondContact O-CB 3.15Å; S560-A564 PolarHBondContact O-N 3.29Å
561	T	56.7	Low	57.6	Low	73 Å²	73	104.8 Å²	104.8	45%	0.448	59%	0.593	S	S	.	*	H	α-helix	trans	-68.4	-39.9	176	35.5	0	0	0	0	112.1	N557 T558 A564 I565	N557-T561 PolarHBondContact O-OG1 2.59Å; T558-T561 WeakPolarHBondContact CA-OG1 3.33Å; T558-T561 PolarHBondContact O-OG1 2.84Å; T561-A564 PolarHBondContact O-N 2.71Å; T561-I565 WeakPolarHBondContact O-CB 3.49Å; T561-I565 WeakPolarHBondContact O-CD1 3.34Å; T561-I565 WeakPolarHBondContact O-CG1 3.47Å; T561-I565 PolarHBondContact O-N 2.74Å
562	V	58.2	Low	60	Low	99 Å²	99	102.4 Å²	102.4	60%	0.6	58%	0.581	S	S	*	*	H	α-helix	trans	-67.2	-38.6	175.5	178.2	0	0	0	0	111.6	T558 A566	T558-V562 VanDerWaalsContact O-CG2 3.27Å; T558-V562 WeakPolarHBondContact O-CG2 3.05Å; T558-V562 PolarHBondContact O-N 3.27Å; V562-A566 VanDerWaalsContact O-CB 3.26Å; V562-A566 WeakPolarHBondContact O-CB 3.22Å; V562-A566 PolarHBondContact O-N 3.05Å
563	K	59.3	Low	62.7	Low	157 Å²	157	101.8 Å²	101.8	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-67.1	-37.8	173.8	-77.3	-175.8	178.1	-177.9	0	112.7	A559 S560 I567	A559-K563 WeakPolarHBondContact O-CG 3.44Å; A559-K563 PolarHBondContact O-N 3.44Å; S560-K563 PolarHBondContact O-N 3.4Å; K563-I567 WeakPolarHBondContact O-CG1 3.43Å; K563-I567 PolarHBondContact O-N 2.74Å
564	A	64.4	Low	64.9	Low	50 Å²	50	97.9 Å²	97.9	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-45.7	175.6	0	0	0	0	0	111.5	S560 T561 A566 I567 V568	S560-A564 WeakPolarHBondContact O-CB 3.15Å; S560-A564 PolarHBondContact O-N 3.29Å; T561-A564 PolarHBondContact O-N 2.71Å; A564-A566 VanDerWaalsContact C-N 3.32Å; A564-A566 PolarHBondContact O-N 2.93Å; A564-I567 PolarHBondContact O-N 3.43Å; A564-V568 WeakPolarHBondContact O-CB 3.33Å; A564-V568 WeakPolarHBondContact O-CG2 3.45Å; A564-V568 PolarHBondContact O-N 2.96Å
565	I	72.4	Confident	67.7	Low	99 Å²	99	94.3 Å²	94.3	51%	0.508	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-39.4	178.3	-67.1	166.2	0	0	0	111	T561 I567 V568 I569	T561-I565 WeakPolarHBondContact O-CB 3.49Å; T561-I565 WeakPolarHBondContact O-CD1 3.34Å; T561-I565 WeakPolarHBondContact O-CG1 3.47Å; T561-I565 PolarHBondContact O-N 2.74Å; I565-I567 PolarHBondContact O-N 2.97Å; I565-V568 PolarHBondContact O-N 3.49Å; I565-I569 HydrophobicContact CG2-CD1 3.51Å; I565-I569 HydrophobicContact CG2-CG1 4.14Å; I565-I569 WeakPolarHBondContact O-CG1 3.47Å; I565-I569 PolarHBondContact O-N 2.98Å; I565-I569 VanDerWaalsContact O-N 3.12Å
566	A	73.5	Confident	70.1	Confident	64 Å²	64	90.5 Å²	90.5	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-64.6	-22.1	178	0	0	0	0	0	114.1	V562 A564 P570	V562-A566 VanDerWaalsContact O-CB 3.26Å; V562-A566 WeakPolarHBondContact O-CB 3.22Å; V562-A566 PolarHBondContact O-N 3.05Å; A564-A566 VanDerWaalsContact C-N 3.32Å; A564-A566 PolarHBondContact O-N 2.93Å; A566-P570 WeakPolarHBondContact O-CD 3.29Å; A566-P570 WeakPolarHBondContact O-CG 3.46Å
567	I	78.5	Confident	72.5	Confident	112 Å²	112	89.4 Å²	89.4	57%	0.574	53%	0.529	S	S	*	.	H	α-helix	trans	-95.3	-41	175.8	-63.2	169.2	0	0	0	110.6	K563 A564 I565 I569 P570 C571	K563-I567 WeakPolarHBondContact O-CG1 3.43Å; K563-I567 PolarHBondContact O-N 2.74Å; A564-I567 PolarHBondContact O-N 3.43Å; I565-I567 PolarHBondContact O-N 2.97Å; I567-I569 PolarHBondContact O-N 3.43Å; I567-P570 WeakPolarHBondContact O-CD 3.42Å; I567-C571 WeakPolarHBondContact O-CB 3.49Å; I567-C571 PolarHBondContact O-N 3.44Å; I567-C571 VanDerWaalsContact O-N 3.14Å; I567-C571 PolarHBondContact O-SG 3.24Å
568	V	79.1	Confident	74.8	Confident	77 Å²	77	89.1 Å²	89.1	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-66.4	-41.8	-175.2	172.5	0	0	0	0	111.7	A564 I565 C571 I572	A564-V568 WeakPolarHBondContact O-CB 3.33Å; A564-V568 WeakPolarHBondContact O-CG2 3.45Å; A564-V568 PolarHBondContact O-N 2.96Å; I565-V568 PolarHBondContact O-N 3.49Å; V568-C571 PolarHBondContact O-N 2.04Å; V568-I572 HydrophobicContact CG1-CD1 3.57Å; V568-I572 HydrophobicContact CG1-CG1 4.19Å; V568-I572 VanDerWaalsContact O-CG1 3.28Å; V568-I572 WeakPolarHBondContact O-CG1 3.22Å; V568-I572 PolarHBondContact O-N 3.11Å
569	I	80.4	Confident	76.7	Confident	92 Å²	92	88.7 Å²	88.7	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-51.3	-178.9	-65.3	174.2	0	0	0	111.7	I565 I567 C571 I572 L573	I565-I569 HydrophobicContact CG2-CD1 3.51Å; I565-I569 HydrophobicContact CG2-CG1 4.14Å; I565-I569 WeakPolarHBondContact O-CG1 3.47Å; I565-I569 PolarHBondContact O-N 2.98Å; I565-I569 VanDerWaalsContact O-N 3.12Å; I567-I569 PolarHBondContact O-N 3.43Å; I569-C571 VanDerWaalsContact C-N 3.31Å; I569-C571 PolarHBondContact O-N 3.2Å; I569-I572 PolarHBondContact O-N 3.36Å; I569-L573 HydrophobicContact CG2-CD1 3.98Å; I569-L573 HydrophobicContact CG2-CG 4.47Å; I569-L573 WeakPolarHBondContact O-CG 3.44Å; I569-L573 PolarHBondContact O-N 2.86Å
570	P	82.8	Confident	78.7	Confident	74 Å²	74	90.3 Å²	90.3	48%	0.481	52%	0.522	S	S	.	.	H	α-helix	trans	-60.1	-38.2	175.2	-24.9	34.2	0	0	0	113.3	A566 I567 L573 A574	A566-P570 WeakPolarHBondContact O-CD 3.29Å; A566-P570 WeakPolarHBondContact O-CG 3.46Å; I567-P570 WeakPolarHBondContact O-CD 3.42Å; P570-L573 PolarHBondContact O-N 3.08Å; P570-A574 VanDerWaalsContact O-CB 3.3Å; P570-A574 WeakPolarHBondContact O-CB 3.47Å; P570-A574 PolarHBondContact O-N 3.1Å
571	C	86.8	Confident	80.3	Confident	70 Å²	70	91.7 Å²	91.7	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-65.6	-41.1	177.7	-72.9	0	0	0	0	112.5	I567 V568 I569 A574 L575	I567-C571 WeakPolarHBondContact O-CB 3.49Å; I567-C571 PolarHBondContact O-N 3.44Å; I567-C571 VanDerWaalsContact O-N 3.14Å; I567-C571 PolarHBondContact O-SG 3.24Å; V568-C571 PolarHBondContact O-N 2.04Å; I569-C571 VanDerWaalsContact C-N 3.31Å; I569-C571 PolarHBondContact O-N 3.2Å; C571-A574 PolarHBondContact O-N 2.99Å; C571-L575 WeakPolarHBondContact O-CB 3.49Å; C571-L575 PolarHBondContact O-N 3.33Å
572	I	88	Confident	81.8	Confident	93 Å²	93	95.2 Å²	95.2	48%	0.477	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-44.8	175.3	-68.7	172.2	0	0	0	110.2	V568 I569 A574 L575 C576	V568-I572 HydrophobicContact CG1-CD1 3.57Å; V568-I572 HydrophobicContact CG1-CG1 4.19Å; V568-I572 VanDerWaalsContact O-CG1 3.28Å; V568-I572 WeakPolarHBondContact O-CG1 3.22Å; V568-I572 PolarHBondContact O-N 3.11Å; I569-I572 PolarHBondContact O-N 3.36Å; I572-A574 VanDerWaalsContact C-N 3.34Å; I572-A574 PolarHBondContact O-N 3.35Å; I572-L575 PolarHBondContact O-N 3.33Å; I572-C576 PolarHBondContact O-N 3.47Å; I572-C576 PolarHBondContact O-SG 2.92Å; I572-C576 VanDerWaalsContact O-SG 3.36Å
573	L	88.5	Confident	83.1	Confident	106 Å²	106	93.4 Å²	93.4	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-62.4	-40.8	177.4	-70.6	173.4	0	0	0	112.1	I569 P570 C576 L577	I569-L573 HydrophobicContact CG2-CD1 3.98Å; I569-L573 HydrophobicContact CG2-CG 4.47Å; I569-L573 WeakPolarHBondContact O-CG 3.44Å; I569-L573 PolarHBondContact O-N 2.86Å; P570-L573 PolarHBondContact O-N 3.08Å; L573-C576 PolarHBondContact O-N 2.81Å; L573-L577 PolarHBondContact O-N 2.83Å
574	A	88.3	Confident	84.3	Confident	50 Å²	50	89.6 Å²	89.6	41%	0.413	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-41.7	174.9	0	0	0	0	0	111.9	P570 C571 I572 L577 L578	P570-A574 VanDerWaalsContact O-CB 3.3Å; P570-A574 WeakPolarHBondContact O-CB 3.47Å; P570-A574 PolarHBondContact O-N 3.1Å; C571-A574 PolarHBondContact O-N 2.99Å; I572-A574 VanDerWaalsContact C-N 3.34Å; I572-A574 PolarHBondContact O-N 3.35Å; A574-L577 PolarHBondContact O-N 3.37Å; A574-L578 WeakPolarHBondContact O-CG 3.43Å; A574-L578 PolarHBondContact O-N 3.02Å
575	L	91.1	Very high	85.2	Confident	111 Å²	111	92.6 Å²	92.6	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-63.2	-44.4	173.8	-86.8	165.1	0	0	0	112	C571 I572 L577 L578 V579	C571-L575 WeakPolarHBondContact O-CB 3.49Å; C571-L575 PolarHBondContact O-N 3.33Å; I572-L575 PolarHBondContact O-N 3.33Å; L575-L577 VanDerWaalsContact C-N 3.33Å; L575-L577 PolarHBondContact O-N 3.34Å; L575-L578 PolarHBondContact O-N 3.1Å; L575-V579 PolarHBondContact O-N 2.8Å; L575-V579 WeakPolarHBondContact O-CG2 3.29Å
576	C	90.5	Very high	85.5	Confident	76 Å²	76	90.6 Å²	90.6	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-59.9	-43	175.5	-72	0	0	0	0	111.7	I572 L573 V579 L580	I572-C576 PolarHBondContact O-N 3.47Å; I572-C576 PolarHBondContact O-SG 2.92Å; I572-C576 VanDerWaalsContact O-SG 3.36Å; L573-C576 PolarHBondContact O-N 2.81Å; C576-V579 PolarHBondContact O-N 2.69Å; C576-L580 WeakPolarHBondContact O-CB 3.33Å; C576-L580 PolarHBondContact O-N 3.24Å
577	L	90	Very high	85.6	Confident	115 Å²	115	94.8 Å²	94.8	60%	0.602	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-43.3	175.3	-82.8	166.8	0	0	0	112.2	L573 A574 L575 V579 L580 V581	L573-L577 PolarHBondContact O-N 2.83Å; A574-L577 PolarHBondContact O-N 3.37Å; L575-L577 VanDerWaalsContact C-N 3.33Å; L575-L577 PolarHBondContact O-N 3.34Å; L577-V579 PolarHBondContact O-N 3.17Å; L577-L580 PolarHBondContact O-N 3.05Å; L577-V581 VanDerWaalsContact O-CG2 3.32Å; L577-V581 WeakPolarHBondContact O-CG2 3.48Å; L577-V581 PolarHBondContact O-N 3.04Å
578	L	90.3	Very high	85.3	Confident	116 Å²	116	98.1 Å²	98.1	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-63	-41.1	176.6	-75	172.8	0	0	0	112.1	A574 L575 L580 V581 Y582	A574-L578 WeakPolarHBondContact O-CG 3.43Å; A574-L578 PolarHBondContact O-N 3.02Å; L575-L578 PolarHBondContact O-N 3.1Å; L578-L580 VanDerWaalsContact C-N 3.33Å; L578-V581 PolarHBondContact O-N 3.14Å; L578-Y582 VanDerWaalsContact O-CB 3.25Å; L578-Y582 WeakPolarHBondContact O-CB 3.4Å; L578-Y582 PolarHBondContact O-N 3.48Å
579	V	89.6	Confident	84.9	Confident	90 Å²	90	103.6 Å²	103.6	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-41.2	174.4	172.5	0	0	0	0	110.6	L575 C576 L577 Y582 T583	L575-V579 PolarHBondContact O-N 2.8Å; L575-V579 WeakPolarHBondContact O-CG2 3.29Å; C576-V579 PolarHBondContact O-N 2.69Å; L577-V579 PolarHBondContact O-N 3.17Å; V579-Y582 PolarHBondContact O-N 3.45Å; V579-T583 HydrophobicContact CG1-CG2 4.37Å; V579-T583 VanDerWaalsContact O-CG2 3.31Å; V579-T583 WeakPolarHBondContact O-CG2 3.48Å; V579-T583 PolarHBondContact O-N 3.46Å; V579-T583 PolarHBondContact O-OG1 2.88Å
580	L	89.8	Confident	83.9	Confident	107 Å²	107	106.3 Å²	106.3	56%	0.56	54%	0.542	S	S	*	.	H	α-helix	trans	-67.9	-41.5	179.4	-149.2	153.5	0	0	0	111.6	C576 L577 L578 T583 V584	C576-L580 WeakPolarHBondContact O-CB 3.33Å; C576-L580 PolarHBondContact O-N 3.24Å; L577-L580 PolarHBondContact O-N 3.05Å; L578-L580 VanDerWaalsContact C-N 3.33Å; L580-T583 WeakPolarHBondContact CA-OG1 3.36Å; L580-T583 PolarHBondContact O-N 3.3Å; L580-T583 PolarHBondContact O-OG1 3Å; L580-V584 HydrophobicContact CD2-CG2 4.16Å; L580-V584 WeakPolarHBondContact O-CB 3.33Å; L580-V584 VanDerWaalsContact O-CG2 3.26Å; L580-V584 WeakPolarHBondContact O-CG2 3.26Å; L580-V584 PolarHBondContact O-N 2.87Å
581	V	88.2	Confident	82.3	Confident	95 Å²	95	105.7 Å²	105.7	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-63.5	-42.4	172.6	172	0	0	0	0	110.8	L577 L578 V584 F585	L577-V581 VanDerWaalsContact O-CG2 3.32Å; L577-V581 WeakPolarHBondContact O-CG2 3.48Å; L577-V581 PolarHBondContact O-N 3.04Å; L578-V581 PolarHBondContact O-N 3.14Å; V581-V584 PolarHBondContact O-N 2.87Å; V581-F585 WeakPolarHBondContact O-CB 3.41Å; V581-F585 PolarHBondContact O-N 3.35Å
582	Y	88.1	Confident	80.5	Confident	146 Å²	146	108.4 Å²	108.4	57%	0.573	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-41.7	177.6	179.8	-101.4	0	0	0	112.4	L578 V579 F585 Q586	L578-Y582 VanDerWaalsContact O-CB 3.25Å; L578-Y582 WeakPolarHBondContact O-CB 3.4Å; L578-Y582 PolarHBondContact O-N 3.48Å; V579-Y582 PolarHBondContact O-N 3.45Å; Y582-F585 PolarHBondContact O-N 3.24Å; Y582-Q586 HydrophobicContact CD1-CG 4.21Å; Y582-Q586 HydrophobicContact CE1-CG 3.8Å; Y582-Q586 HydrophobicContact CE2-CG 4.14Å; Y582-Q586 WeakPolarHBondContact O-CB 3.38Å; Y582-Q586 WeakPolarHBondContact O-CG 3.11Å; Y582-Q586 PolarHBondContact O-N 3.06Å; Y582-Q586 PolarHBondContact OH-NE2 3Å
583	T	85.9	Confident	78.9	Confident	61 Å²	61	107.9 Å²	107.9	37%	0.374	57%	0.567	S	S	.	*	H	α-helix	trans	-66.6	-42.7	176.6	55.8	0	0	0	0	111.2	V579 L580 F585 Q586 F587	V579-T583 HydrophobicContact CG1-CG2 4.37Å; V579-T583 VanDerWaalsContact O-CG2 3.31Å; V579-T583 WeakPolarHBondContact O-CG2 3.48Å; V579-T583 PolarHBondContact O-N 3.46Å; V579-T583 PolarHBondContact O-OG1 2.88Å; L580-T583 WeakPolarHBondContact CA-OG1 3.36Å; L580-T583 PolarHBondContact O-N 3.3Å; L580-T583 PolarHBondContact O-OG1 3Å; T583-F585 VanDerWaalsContact C-N 3.32Å; T583-F585 PolarHBondContact O-N 2.9Å; T583-Q586 PolarHBondContact O-N 2.94Å; T583-F587 WeakPolarHBondContact O-CB 3.39Å; T583-F587 WeakPolarHBondContact O-CD2 3.27Å; T583-F587 PolarHBondContact O-N 2.61Å
584	V	83.8	Confident	77.1	Confident	77 Å²	77	114 Å²	114	47%	0.467	58%	0.583	S	S	.	*	H	α-helix	trans	-61.2	-41.5	174	171.7	0	0	0	0	111.2	L580 V581 F587 K588	L580-V584 HydrophobicContact CD2-CG2 4.16Å; L580-V584 WeakPolarHBondContact O-CB 3.33Å; L580-V584 VanDerWaalsContact O-CG2 3.26Å; L580-V584 WeakPolarHBondContact O-CG2 3.26Å; L580-V584 PolarHBondContact O-N 2.87Å; V581-V584 PolarHBondContact O-N 2.87Å; V584-F587 PolarHBondContact O-N 3.4Å; V584-K588 PolarHBondContact O-N 3.11Å
585	F	83.7	Confident	75.4	Confident	113 Å²	113	120 Å²	120	50%	0.496	60%	0.602	S	S	.	*	H	α-helix	trans	-66.2	-41.1	176.6	-169.2	-100.8	0	0	0	111.9	V581 Y582 T583 K588 R589	V581-F585 WeakPolarHBondContact O-CB 3.41Å; V581-F585 PolarHBondContact O-N 3.35Å; Y582-F585 PolarHBondContact O-N 3.24Å; T583-F585 VanDerWaalsContact C-N 3.32Å; T583-F585 PolarHBondContact O-N 2.9Å; F585-K588 PolarHBondContact O-N 2.92Å; F585-R589 VanDerWaalsContact O-CB 3.28Å; F585-R589 WeakPolarHBondContact O-CB 3.28Å; F585-R589 PolarHBondContact O-N 2.85Å
586	Q	79.3	Confident	73.6	Confident	57 Å²	57	122 Å²	122	27%	0.266	61%	0.612	S	S	.	*	H	α-helix	trans	-65	-39	174	-75.9	-71.9	4.1	0	0	112.2	Y582 T583 K588 R589 K590	Y582-Q586 HydrophobicContact CD1-CG 4.21Å; Y582-Q586 HydrophobicContact CE1-CG 3.8Å; Y582-Q586 HydrophobicContact CE2-CG 4.14Å; Y582-Q586 WeakPolarHBondContact O-CB 3.38Å; Y582-Q586 WeakPolarHBondContact O-CG 3.11Å; Y582-Q586 PolarHBondContact O-N 3.06Å; Y582-Q586 PolarHBondContact OH-NE2 3Å; T583-Q586 PolarHBondContact O-N 2.94Å; Q586-K588 VanDerWaalsContact C-N 3.32Å; Q586-K588 PolarHBondContact O-N 2.78Å; Q586-R589 PolarHBondContact O-N 3.41Å; Q586-K590 WeakPolarHBondContact O-CB 3.36Å; Q586-K590 PolarHBondContact O-N 3.4Å
587	F	75	Confident	71.5	Confident	152 Å²	152	125.7 Å²	125.7	67%	0.667	63%	0.625	S	S	*	*	H	α-helix	trans	-67.2	-30	173.5	-95.5	-79.2	0	0	0	112.9	T583 V584 K590	T583-F587 WeakPolarHBondContact O-CB 3.39Å; T583-F587 WeakPolarHBondContact O-CD2 3.27Å; T583-F587 PolarHBondContact O-N 2.61Å; V584-F587 PolarHBondContact O-N 3.4Å; F587-K590 VanDerWaalsContact O-O 3.05Å
588	K	73.2	Confident	69.4	Low	182 Å²	182	131.1 Å²	131.1	79%	0.791	64%	0.639	S	S	*	*	H	α-helix	trans	-77.6	-33	171.6	-86.1	-167.4	169.9	-175.3	0	113.1	V584 F585 Q586	V584-K588 PolarHBondContact O-N 3.11Å; F585-K588 PolarHBondContact O-N 2.92Å; Q586-K588 VanDerWaalsContact C-N 3.32Å; Q586-K588 PolarHBondContact O-N 2.78Å
589	R	69.9	Low	67.5	Low	192 Å²	192	131.5 Å²	131.5	73%	0.725	65%	0.65	S	S	*	*	H	α-helix	trans	-87.6	-32.4	-175	-150.3	177.9	-174	-174.2	1.7	112.9	F585 Q586 G591	F585-R589 VanDerWaalsContact O-CB 3.28Å; F585-R589 WeakPolarHBondContact O-CB 3.28Å; F585-R589 PolarHBondContact O-N 2.85Å; Q586-R589 PolarHBondContact O-N 3.41Å; R589-G591 PolarHBondContact O-N 2.88Å
590	K	58.8	Low	65.6	Low	149 Å²	149	137 Å²	137	65%	0.648	67%	0.667	S	S	*	*	S	Bend	trans	-91.7	91	164.5	-65.9	-177	179.9	-178.1	0	106.6	Q586 F587	Q586-K590 WeakPolarHBondContact O-CB 3.36Å; Q586-K590 PolarHBondContact O-N 3.4Å; F587-K590 VanDerWaalsContact O-O 3.05Å
591	G	49.2	Very low	63.5	Low	61 Å²	61	143.5 Å²	143.5	63%	0.629	68%	0.684	S	S	*	*			trans	-41.4	142.3	175.2	0	0	0	0	0	111.4	R589	R589-G591 PolarHBondContact O-N 2.88Å
592	T	50.4	Low	61.8	Low	128 Å²	128	144 Å²	144	79%	0.785	69%	0.692	S	S	*	*			trans	-25.9	115.3	-175.6	21.1	0	0	0	0	113	R594	T592-R594 PolarHBondContact O-N 3.37Å; T592-R594 VanDerWaalsContact O-N 3.15Å
593	P	52.8	Low	60	Low	82 Å²	82	146.3 Å²	146.3	53%	0.532	71%	0.71	S	S	.	*			trans	-56.2	125.6	167.2	-18.2	29.6	0	0	0	107.7	H595	P593-H595 PolarHBondContact O-N 3.46Å
594	R	51.8	Low	58.4	Low	234 Å²	234	152.5 Å²	152.5	88%	0.883	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	24	-173.7	-85	-178.6	168.3	166.4	-3.6	115.8	T592	T592-R594 PolarHBondContact O-N 3.37Å; T592-R594 VanDerWaalsContact O-N 3.15Å
595	H	52.8	Low	56.8	Low	177 Å²	177	157.1 Å²	157.1	82%	0.819	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	6.2	-175.2	-122.6	-85	0	0	0	116	P593	P593-H595 PolarHBondContact O-N 3.46Å
596	I	53.3	Low	55.2	Low	153 Å²	153	164 Å²	164	79%	0.785	77%	0.774	S	S	*	*			trans	-106.9	20.4	178.6	-54.6	177.3	0	0	0	112.3
597	L	46.5	Very low	53.9	Low	152 Å²	152	171.4 Å²	171.4	80%	0.796	82%	0.823	S	S	*	*	S	Bend	trans	-88.2	4.6	176.1	-97.8	154.6	0	0	0	114.8
598	Y	45.9	Very low	52.8	Low	229 Å²	229	172.4 Å²	172.4	90%	0.898	83%	0.831	S	S	*	*	S	Bend	trans	-110	2.1	-175.7	-120.8	-90	0	0	0	117.1
599	C	50.8	Low	51.8	Low	125 Å²	125	171.9 Å²	171.9	85%	0.845	83%	0.833	S	S	*	*	S	Bend	trans	-111.7	20	-179.1	-122.3	0	0	0	0	115
600	K	47.6	Very low	50.8	Low	205 Å²	205	170.8 Å²	170.8	89%	0.891	84%	0.839	S	S	*	*	S	Bend	trans	-102.2	22.1	-178.2	-140.8	-176.8	-177.4	-177.6	0	114.9
601	R	47.3	Very low	50.3	Low	243 Å²	243	172.1 Å²	172.1	92%	0.917	85%	0.85	S	S	*	*	S	Bend	trans	-138.2	19	-175.6	-141.4	178.2	-175.4	172.8	0.6	117.3
602	S	52.8	Low	50.4	Low	107 Å²	107	179 Å²	179	75%	0.748	86%	0.864	S	S	*	*	S	Bend	trans	-130.1	5.4	-174.7	-163.3	0	0	0	0	117.3
603	M	49.9	Very low	50.4	Low	193 Å²	193	182.4 Å²	182.4	95%	0.951	87%	0.869	S	S	*	*	S	Bend	trans	-112.5	29.4	179.1	-72.8	-148.6	-54.8	0	0	114.3
604	Q	50.8	Low	50.2	Low	192 Å²	192	189.6 Å²	189.6	90%	0.897	89%	0.894	S	S	*	*	S	Bend	trans	-110.4	15	-179	-137.2	165.9	-22.7	0	0	113.9
605	E	51.5	Low	50.1	Low	174 Å²	174	186.2 Å²	186.2	81%	0.813	89%	0.894	S	S	*	*			trans	-128.3	21.4	-174.3	-73.4	-169.6	159	0	0	115.7
606	W	50.6	Low	49.8	Very low	256 Å²	256	186.9 Å²	186.9	97%	0.97	90%	0.901	S	S	*	*			trans	-124.7	76.4	169	-72.2	84.8	0	0	0	110.7
607	V	51.1	Low	49.5	Very low	214 Å²	214	190 Å²	190	100%	1.297	91%	0.911	S	S	*	*			trans	-106.8	0	146.3	171	0	0	0	0	106.3

Retrieved 607 of 607 residues in 114.9 ms (Link to these results)

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