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Matrix metalloproteinase-16

Endopeptidase that degrades various components of the extracellular matrix, such as collagen type III and fibronectin. Activates progelatinase A. Involved in the matrix remodeling of blood vessels. Isoform short cleaves fibronectin and also collagen type III, but at lower rate. It has no effect on type I, II, IV and V collagen. However, upon interaction with CSPG4, it may be involved in degradation and invasion of type I collagen by melanoma cells.

AlphaFold DB , UniProt , Accession P51512, Species HUMAN (Homo sapiens, Human), 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 121.1 ms (Link to these results)

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