A0A096LWQ4_POEFO Loading...

Calnexin

Calcium-binding protein that interacts with newly synthesized monoglucosylated glycoproteins in the endoplasmic reticulum. It may act in assisting protein assembly and/or in the retention within the ER of unassembled protein subunits. It seems to play a major role in the quality control apparatus of the ER by the retention of incorrectly folded proteins. Associated with partial T-cell antigen receptor complexes that escape the ER of immature thymocytes, it may function as a signaling complex regulating thymocyte maturation. Additionally it may play a role in receptor-mediated endocytosis at the synapse.

AlphaFold DB , UniProt , Accession A0A096LWQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	50.3	Low	56.5	Low	216 Å²	216	126.7 Å²	126.7	100%	1.064	64%	0.642	S	S	*	*				0	-40.7	0	-76.5	-177	-100	0	0	113.3	Q3 K4	M1-Q3 PolarHBondContact O-N 2.87Å; M1-K4 PolarHBondContact O-N 3.01Å
2	H	52.3	Low	57.1	Low	173 Å²	173	122.6 Å²	122.6	80%	0.801	63%	0.628	S	S	*	*	H	α-helix	trans	-59.6	-38.2	-174.3	-74.9	-72.9	0	0	0	117.4	K4 A5 L6	H2-K4 VanDerWaalsContact C-N 3.32Å; H2-K4 PolarHBondContact O-N 2.91Å; H2-A5 PolarHBondContact O-N 3.5Å; H2-L6 PolarHBondContact O-N 2.98Å; H2-L6 VanDerWaalsContact O-N 3.16Å
3	Q	49	Very low	56.8	Low	177 Å²	177	116.8 Å²	116.8	83%	0.827	61%	0.61	S	S	*	*	H	α-helix	trans	-63.4	-33	178.4	-98.3	174.3	-35.8	0	0	114	M1 L7	M1-Q3 PolarHBondContact O-N 2.87Å; Q3-L7 PolarHBondContact O-N 3.31Å
4	K	50.2	Low	56.3	Low	148 Å²	148	111.2 Å²	111.2	64%	0.643	59%	0.594	S	S	*	*	H	α-helix	trans	-71.8	-32.6	177.9	-69.2	-168.1	175.2	-168.4	0	112.2	M1 H2 F8 F515	M1-K4 PolarHBondContact O-N 3.01Å; H2-K4 VanDerWaalsContact C-N 3.32Å; H2-K4 PolarHBondContact O-N 2.91Å; K4-F8 PolarHBondContact O-N 3.22Å; K4-F515 HydrophobicContact CB-CZ 4.31Å; K4-F515 HydrophobicContact CD-CZ 4.28Å; K4-F515 HydrophobicContact CG-CZ 4.48Å
5	A	58.6	Low	55.4	Low	54 Å²	54	111.6 Å²	111.6	45%	0.446	60%	0.596	S	S	.	*	H	α-helix	trans	-69.6	-42	174.7	0	0	0	0	0	111.7	H2 L7 F8 V9	H2-A5 PolarHBondContact O-N 3.5Å; A5-L7 PolarHBondContact O-N 3.02Å; A5-F8 PolarHBondContact O-N 3.45Å; A5-V9 WeakPolarHBondContact O-CG2 3.47Å; A5-V9 PolarHBondContact O-N 3.16Å
6	L	57.9	Low	54.2	Low	118 Å²	118	111 Å²	111	62%	0.618	59%	0.592	S	S	*	*	H	α-helix	trans	-64.8	-41.4	-178.7	-160.6	74.9	0	0	0	112.4	H2 F8 V9 L10	H2-L6 PolarHBondContact O-N 2.98Å; H2-L6 VanDerWaalsContact O-N 3.16Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.41Å; L6-V9 PolarHBondContact O-N 3.26Å; L6-L10 WeakPolarHBondContact O-CG 3.37Å; L6-L10 PolarHBondContact O-N 3.35Å; L6-L10 VanDerWaalsContact O-N 3.13Å
7	L	56.2	Low	53.3	Low	118 Å²	118	110.6 Å²	110.6	62%	0.618	60%	0.599	S	S	*	*	H	α-helix	trans	-66	-37.2	177.2	-137.5	83.8	0	0	0	112.2	Q3 A5 L10 L11	Q3-L7 PolarHBondContact O-N 3.31Å; A5-L7 PolarHBondContact O-N 3.02Å; L7-L10 PolarHBondContact O-N 3.28Å; L7-L11 PolarHBondContact O-N 3.36Å
8	F	58.8	Low	52.6	Low	84 Å²	84	111.9 Å²	111.9	37%	0.368	61%	0.611	S	S	.	*	H	α-helix	trans	-70	-38.6	179	-151.8	-96.5	0	0	0	111.8	K4 A5 L6 L11 V12 F515	K4-F8 PolarHBondContact O-N 3.22Å; A5-F8 PolarHBondContact O-N 3.45Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.41Å; F8-L11 PolarHBondContact O-N 3.49Å; F8-V12 HydrophobicContact CD1-CG2 4.11Å; F8-V12 HydrophobicContact CE1-CG2 4.11Å; F8-V12 VanDerWaalsContact O-CG2 3.32Å; F8-V12 WeakPolarHBondContact O-CG2 3.27Å; F8-V12 PolarHBondContact O-N 3.35Å; F8-F515 AromaticContact CD2-CD1 3.56Å; F8-F515 HydrophobicContact CD2-CD1 3.56Å; F8-F515 AromaticContact CD2-CE1 3.74Å; F8-F515 HydrophobicContact CD2-CE1 3.74Å; F8-F515 HydrophobicContact CD2-CG 4.36Å; F8-F515 HydrophobicContact CE2-CB 4.24Å; F8-F515 AromaticContact CE2-CD1 3.49Å; F8-F515 HydrophobicContact CE2-CD1 3.49Å; F8-F515 VanDerWaalsContact CE2-CD1 3.49Å; F8-F515 HydrophobicContact CE2-CE1 4.15Å; F8-F515 HydrophobicContact CE2-CG 4.15Å
9	V	68.9	Low	51.9	Low	96 Å²	96	110.4 Å²	110.4	58%	0.582	61%	0.609	S	S	*	*	H	α-helix	trans	-63.8	-40	173.9	170.6	0	0	0	0	111.5	A5 L6 A13	A5-V9 WeakPolarHBondContact O-CG2 3.47Å; A5-V9 PolarHBondContact O-N 3.16Å; L6-V9 PolarHBondContact O-N 3.26Å; V9-A13 VanDerWaalsContact O-CB 3.31Å; V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 2.93Å
10	L	63.6	Low	50.9	Low	116 Å²	116	112 Å²	112	61%	0.607	62%	0.615	S	S	*	*	H	α-helix	trans	-68	-39	176.5	-73.4	167.2	0	0	0	112.8	L6 L7 A13 G14	L6-L10 WeakPolarHBondContact O-CG 3.37Å; L6-L10 PolarHBondContact O-N 3.35Å; L6-L10 VanDerWaalsContact O-N 3.13Å; L7-L10 PolarHBondContact O-N 3.28Å; L10-A13 PolarHBondContact O-N 3.26Å; L10-G14 PolarHBondContact O-N 3.46Å
11	L	56.2	Low	49.9	Very low	94 Å²	94	110.8 Å²	110.8	49%	0.492	62%	0.621	S	S	.	*	H	α-helix	trans	-65.7	-41.7	174.5	-90	161.4	0	0	0	112.7	L7 F8 G14 L15	L7-L11 PolarHBondContact O-N 3.36Å; F8-L11 PolarHBondContact O-N 3.49Å; L11-G14 PolarHBondContact O-N 2.89Å; L11-L15 PolarHBondContact O-N 3.41Å; L11-L15 VanDerWaalsContact O-N 3.12Å
12	V	63.9	Low	49.2	Very low	77 Å²	77	106.9 Å²	106.9	47%	0.467	61%	0.611	S	S	.	*	H	α-helix	trans	-68	-39.3	176.4	172.3	0	0	0	0	111.3	F8 G14 L15 L16	F8-V12 HydrophobicContact CD1-CG2 4.11Å; F8-V12 HydrophobicContact CE1-CG2 4.11Å; F8-V12 VanDerWaalsContact O-CG2 3.32Å; F8-V12 WeakPolarHBondContact O-CG2 3.27Å; F8-V12 PolarHBondContact O-N 3.35Å; V12-G14 VanDerWaalsContact C-N 3.34Å; V12-L15 PolarHBondContact O-N 3.46Å; V12-L16 PolarHBondContact O-N 2.86Å
13	A	53.3	Low	48.1	Very low	48 Å²	48	105.3 Å²	105.3	40%	0.397	61%	0.614	S	S	.	*	H	α-helix	trans	-62.9	-39.9	173.5	0	0	0	0	0	112.1	V9 L10 L16 C17	V9-A13 VanDerWaalsContact O-CB 3.31Å; V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 2.93Å; L10-A13 PolarHBondContact O-N 3.26Å; A13-L16 PolarHBondContact O-N 2.87Å; A13-C17 PolarHBondContact O-N 3.39Å; A13-C17 VanDerWaalsContact O-N 3.07Å; A13-C17 PolarHBondContact O-SG 3.07Å; A13-C17 VanDerWaalsContact O-SG 3.36Å
14	G	48.7	Very low	47.1	Very low	38 Å²	38	102.6 Å²	102.6	39%	0.392	61%	0.614	S	S	.	*	H	α-helix	trans	-59.7	-45.1	174.4	0	0	0	0	0	113.3	L10 L11 V12	L10-G14 PolarHBondContact O-N 3.46Å; L11-G14 PolarHBondContact O-N 2.89Å; V12-G14 VanDerWaalsContact C-N 3.34Å
15	L	42.6	Very low	46.2	Very low	117 Å²	117	106 Å²	106	61%	0.613	62%	0.622	S	S	*	*	H	α-helix	trans	-67.8	-33.9	175.4	-101.7	82.6	0	0	0	113.1	L11 V12 V18 S19	L11-L15 PolarHBondContact O-N 3.41Å; L11-L15 VanDerWaalsContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 3.46Å; L15-V18 PolarHBondContact O-N 3.41Å; L15-S19 PolarHBondContact O-N 3.23Å; L15-S19 PolarHBondContact O-OG 3.28Å
16	L	36.5	Very low	44.7	Very low	102 Å²	102	108.4 Å²	108.4	53%	0.534	64%	0.642	S	S	.	*	H	α-helix	trans	-69.2	-36.2	178.7	-125.2	82.7	0	0	0	112.4	V12 A13 V18 S19	V12-L16 PolarHBondContact O-N 2.86Å; A13-L16 PolarHBondContact O-N 2.87Å; L16-V18 VanDerWaalsContact C-N 3.28Å; L16-V18 PolarHBondContact O-N 3.31Å; L16-S19 PolarHBondContact O-N 3.37Å; L16-S19 PolarHBondContact O-OG 2.96Å
17	C	38.8	Very low	43.2	Very low	105 Å²	105	110.1 Å²	110.1	71%	0.709	65%	0.647	S	S	*	*	H	α-helix	trans	-70.4	-22.2	178.2	-68.5	0	0	0	0	113.6	A13	A13-C17 PolarHBondContact O-N 3.39Å; A13-C17 VanDerWaalsContact O-N 3.07Å; A13-C17 PolarHBondContact O-SG 3.07Å; A13-C17 VanDerWaalsContact O-SG 3.36Å
18	V	42	Very low	42	Very low	134 Å²	134	111.1 Å²	111.1	81%	0.812	65%	0.653	S	S	*	*	H	α-helix	trans	-85.5	-14.7	176.6	177.7	0	0	0	0	112.2	L15 L16	L15-V18 PolarHBondContact O-N 3.41Å; L16-V18 VanDerWaalsContact C-N 3.28Å; L16-V18 PolarHBondContact O-N 3.31Å
19	S	37.9	Very low	40.5	Very low	83 Å²	83	115.4 Å²	115.4	58%	0.58	67%	0.674	S	S	*	*	S	Bend	trans	-106.6	12.2	-175.1	44.8	0	0	0	0	114.7	L15 L16	L15-S19 PolarHBondContact O-N 3.23Å; L15-S19 PolarHBondContact O-OG 3.28Å; L16-S19 PolarHBondContact O-N 3.37Å; L16-S19 PolarHBondContact O-OG 2.96Å
20	L	32.2	Very low	38.7	Very low	141 Å²	141	116.8 Å²	116.8	74%	0.738	68%	0.678	S	S	*	*			trans	-129.5	77.5	-180	-76.1	170.4	0	0	0	113
21	A	30.1	Very low	36.9	Very low	88 Å²	88	120.5 Å²	120.5	73%	0.727	69%	0.693	S	S	*	*	S	Bend	trans	-126.2	145.3	147.2	0	0	0	0	0	107.9
22	P	34.8	Very low	35.9	Very low	133 Å²	133	122 Å²	122	86%	0.864	70%	0.702	S	S	*	*			trans	-90.8	125	-145	32.4	-35.4	0	0	0	114.9
23	T	29.3	Very low	34.3	Very low	140 Å²	140	127.8 Å²	127.8	86%	0.859	72%	0.723	S	S	*	*			trans	-86.9	118.7	156.3	37	0	0	0	0	110	W25	T23-W25 PolarHBondContact O-N 3.48Å
24	C	28.6	Very low	33.5	Very low	121 Å²	121	133.2 Å²	133.2	82%	0.818	75%	0.746	S	S	*	*			trans	-85.2	114.7	177.7	-160.7	0	0	0	0	110.6
25	W	30.8	Very low	32.6	Very low	218 Å²	218	136.1 Å²	136.1	83%	0.826	77%	0.766	S	S	*	*			trans	1.6	119.3	158.1	-66.3	69.6	0	0	0	118.6	T23	T23-W25 PolarHBondContact O-N 3.48Å
26	A	27.1	Very low	32.1	Very low	105 Å²	105	138.1 Å²	138.1	87%	0.868	78%	0.778	S	S	*	*			trans	-120.7	134.3	144.5	0	0	0	0	0	107.9
27	Q	28.1	Very low	31.9	Very low	155 Å²	155	140.2 Å²	140.2	72%	0.724	79%	0.794	S	S	*	*			trans	-105.7	123.9	-168.3	-174.5	172.9	-70	0	0	110.4
28	D	29.2	Very low	31.8	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	80%	0.8	S	S	*	*			trans	-89.6	148.4	177.5	-155.5	-8.3	0	0	0	111.5
29	Q	28.4	Very low	31.3	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	80%	0.801	S	S	*	*			trans	-132.4	103.4	169.3	-84.9	-163.1	-25.2	0	0	109.2
30	N	29.9	Very low	31.2	Very low	125 Å²	125	146.7 Å²	146.7	67%	0.668	81%	0.805	S	S	*	*			trans	-55.6	143.2	166.8	-76.1	16.6	0	0	0	111.3
31	Q	26.3	Very low	31.1	Very low	194 Å²	194	146.5 Å²	146.5	91%	0.907	80%	0.804	S	S	*	*			trans	-145.9	119.7	138.7	-135.9	168	-1.4	0	0	110.4
32	D	34.7	Very low	31.1	Very low	127 Å²	127	149.6 Å²	149.6	68%	0.679	81%	0.808	S	S	*	*			trans	-78.4	146.2	177.1	-38.2	-88.1	0	0	0	110.9
33	E	32	Very low	31	Very low	197 Å²	197	150.9 Å²	150.9	92%	0.921	81%	0.807	S	S	*	*			trans	-147.4	132.6	145.8	-74.4	-156.6	141.9	0	0	110.3
34	D	34.5	Very low	31	Very low	162 Å²	162	152.4 Å²	152.4	87%	0.866	81%	0.81	S	S	*	*			trans	-84.9	157.9	-178.4	-46.3	-89	0	0	0	113.5
35	A	31.9	Very low	31.2	Very low	100 Å²	100	154 Å²	154	83%	0.826	81%	0.809	S	S	*	*			trans	-173.4	129.2	141.2	0	0	0	0	0	113.7
36	D	31.3	Very low	31.3	Very low	159 Å²	159	148.3 Å²	148.3	85%	0.85	81%	0.809	S	S	*	*			trans	-77.2	148.1	169.8	-53.4	-75	0	0	0	113.3
37	V	32.4	Very low	31.4	Very low	146 Å²	146	146.8 Å²	146.8	89%	0.885	80%	0.803	S	S	*	*			trans	-147.3	119.9	151	178.6	0	0	0	0	109.3
38	E	36.9	Very low	31.5	Very low	176 Å²	176	146.1 Å²	146.1	82%	0.822	81%	0.81	S	S	*	*			trans	-93	-174.9	164.3	-69.1	-164.2	130.1	0	0	111.1
39	D	30.7	Very low	31.6	Very low	156 Å²	156	147.6 Å²	147.6	83%	0.834	81%	0.813	S	S	*	*			trans	96.1	139.9	176.4	-60.2	-11.1	0	0	0	116.1
40	D	35.5	Very low	31.7	Very low	126 Å²	126	146.4 Å²	146.4	67%	0.674	81%	0.812	S	S	*	*			cis	-169.1	156.7	-33.5	-146.8	-5.3	0	0	0	107.4
41	L	31.4	Very low	31.8	Very low	137 Å²	137	148 Å²	148	72%	0.717	82%	0.82	S	S	*	*			trans	57.3	139.9	157.6	-57.7	167.9	0	0	0	119.2
42	D	29.7	Very low	32	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	82%	0.815	S	S	*	*				-159	154.7	51.1	-115.3	-30	0	0	0	113
43	L	32.8	Very low	31.8	Very low	160 Å²	160	149.5 Å²	149.5	84%	0.838	83%	0.828	S	S	*	*			trans	-103.9	141.4	170.2	-88.9	161.6	0	0	0	109.4
44	D	28.8	Very low	31.8	Very low	171 Å²	171	147.1 Å²	147.1	91%	0.914	82%	0.821	S	S	*	*			trans	-147.2	149.3	153	-139.7	-15.2	0	0	0	113
45	L	33.6	Very low	31.7	Very low	154 Å²	154	147.8 Å²	147.8	81%	0.806	82%	0.824	S	S	*	*			trans	-143.8	112.9	-152.3	-176.6	155.9	0	0	0	112.8
46	A	31.6	Very low	31.6	Very low	100 Å²	100	146.3 Å²	146.3	83%	0.826	82%	0.819	S	S	*	*			trans	-174.6	145.6	157.3	0	0	0	0	0	108.9
47	G	29.1	Very low	31.5	Very low	72 Å²	72	146.9 Å²	146.9	74%	0.742	82%	0.822	S	S	*	*			cis	124.5	86.8	2	0	0	0	0	0	112.3
48	T	31	Very low	31.8	Very low	141 Å²	141	149.6 Å²	149.6	87%	0.865	83%	0.825	S	S	*	*			trans	-154.6	141.3	159.4	38	0	0	0	0	110.1
49	E	31.3	Very low	31.7	Very low	171 Å²	171	150.2 Å²	150.2	80%	0.799	83%	0.828	S	S	*	*			trans	-83.3	156.2	-177	-59.4	132.6	139.9	0	0	112.1
50	D	30.2	Very low	31.9	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	82%	0.824	S	S	*	*				167	155.2	107.8	-88.5	-29.9	0	0	0	114.2
51	D	32.3	Very low	32.1	Very low	159 Å²	159	148.4 Å²	148.4	85%	0.85	83%	0.829	S	S	*	*			trans	73.8	99.7	165.7	-63.9	-27.7	0	0	0	120.8
52	D	29.6	Very low	32.6	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	83%	0.833	S	S	*	*			trans	-65.9	146.4	161.3	-64	-82.4	0	0	0	113.3
53	E	32	Very low	33.1	Very low	202 Å²	202	144.5 Å²	144.5	94%	0.944	83%	0.828	S	S	*	*			trans	-142.9	121.7	137.2	-139.7	168.6	-163.5	0	0	110
54	L	31.1	Very low	33.4	Very low	148 Å²	148	143.1 Å²	143.1	78%	0.775	83%	0.829	S	S	*	*			trans	-99.2	123.6	-175.6	-88.2	154.4	0	0	0	110.1
55	D	31.9	Very low	33.9	Very low	175 Å²	175	144.7 Å²	144.7	94%	0.936	83%	0.827	S	S	*	*			trans	-135.1	131.4	148.3	-99	-36.8	0	0	0	107.8
56	G	29.4	Very low	34.3	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	82%	0.823	S	S	*	*			trans	-117.9	134.6	-174.3	0	0	0	0	0	111.6
57	D	30.6	Very low	34.8	Very low	172 Å²	172	142.8 Å²	142.8	92%	0.92	82%	0.823	S	S	*	*			trans	-131.9	141.3	162.3	-94.7	-48.8	0	0	0	109.7	E59	D57-E59 PolarHBondContact O-N 2.93Å
58	E	38.3	Very low	35.7	Very low	202 Å²	202	143.5 Å²	143.5	94%	0.944	82%	0.822	S	S	*	*			trans	-94.8	84.6	-165.9	-168.8	178.4	-170.6	0	0	110.8
59	E	35.5	Very low	36.5	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.883	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-98.4	132.1	173.2	-93.7	-161.4	146.6	0	0	113.7	D57	D57-E59 PolarHBondContact O-N 2.93Å
60	T	34.9	Very low	37.3	Very low	124 Å²	124	137.9 Å²	137.9	76%	0.761	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-59.5	141.2	176.9	42.2	0	0	0	0	113
61	P	39.4	Very low	38.5	Very low	120 Å²	120	139.8 Å²	139.8	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.7	128.9	179.7	27	-34.3	0	0	0	111.2
62	P	41	Very low	40	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.9	142.4	176.7	27.9	-33.8	0	0	0	111
63	A	40.7	Very low	42	Very low	86 Å²	86	133.8 Å²	133.8	71%	0.711	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-57.3	146.5	176.3	0	0	0	0	0	111.6	K65	A63-K65 PolarHBondContact O-N 3.02Å; A63-K65 VanDerWaalsContact O-N 3.1Å
64	P	38.8	Very low	44.1	Very low	131 Å²	131	125.6 Å²	125.6	85%	0.851	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-61.7	118	-179.8	25.4	-33.6	0	0	0	110	A66	P64-A66 PolarHBondContact O-N 3.38Å
65	K	40.1	Very low	46.4	Very low	204 Å²	204	124.9 Å²	124.9	89%	0.887	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-58.8	133	172	-70.8	-178.2	178.1	178.3	0	108.7	A63	A63-K65 PolarHBondContact O-N 3.02Å; A63-K65 VanDerWaalsContact O-N 3.1Å
66	A	42	Very low	48.6	Very low	87 Å²	87	118.4 Å²	118.4	72%	0.719	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-52.3	145.4	170.9	0	0	0	0	0	110	P64 A68	P64-A66 PolarHBondContact O-N 3.38Å; A66-A68 PolarHBondContact O-N 2.85Å
67	P	41.3	Very low	51.1	Low	126 Å²	126	115.8 Å²	115.8	82%	0.818	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56.5	127.1	178.4	23.9	-33.2	0	0	0	109.3	A69	P67-A69 PolarHBondContact O-N 3.45Å
68	A	47.7	Very low	53.7	Low	87 Å²	87	113.5 Å²	113.5	72%	0.719	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.2	178.4	0	0	0	0	0	109.5	A66	A66-A68 PolarHBondContact O-N 2.85Å
69	A	48.9	Very low	55.8	Low	74 Å²	74	106.4 Å²	106.4	61%	0.612	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-51.3	143.4	173.4	0	0	0	0	0	110.1	P67 K71	P67-A69 PolarHBondContact O-N 3.45Å; A69-K71 PolarHBondContact O-N 3.13Å
70	P	48.2	Very low	57.8	Low	120 Å²	120	103.5 Å²	103.5	78%	0.779	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-57.5	116.3	-178.6	24	-33.5	0	0	0	109.4	V72	P70-V72 PolarHBondContact O-N 3.49Å
71	K	55.8	Low	60.1	Low	187 Å²	187	99.9 Å²	99.9	81%	0.813	61%	0.608	S	S	*	*			trans	-69.2	97.1	176.3	-68.6	-176	178.3	-176.1	0	108.4	A69 T73	A69-K71 PolarHBondContact O-N 3.13Å; K71-T73 PolarHBondContact O-N 3.44Å; K71-T73 VanDerWaalsContact O-N 3.09Å; K71-T73 PolarHBondContact O-OG1 3.5Å
72	V	63.9	Low	62.4	Low	56 Å²	56	98.6 Å²	98.6	34%	0.339	59%	0.591	S	S	.	*			trans	-55.5	116.9	169.7	-179.7	0	0	0	0	107	P70 L128 L471	P70-V72 PolarHBondContact O-N 3.49Å; V72-L128 HydrophobicContact CB-CD2 3.77Å; V72-L128 HydrophobicContact CG1-CD2 3.72Å; V72-L471 HydrophobicContact CG1-CD1 3.6Å; V72-L471 HydrophobicContact CG1-CD2 4.2Å; V72-L471 HydrophobicContact CG1-CG 3.88Å
73	T	70.1	Confident	64.8	Low	127 Å²	127	94.9 Å²	94.9	78%	0.779	56%	0.563	S	S	*	*			trans	-87.7	114.1	-179.3	-58.1	0	0	0	0	107.5	K71	K71-T73 PolarHBondContact O-N 3.44Å; K71-T73 VanDerWaalsContact O-N 3.09Å; K71-T73 PolarHBondContact O-OG1 3.5Å
74	Y	77.1	Confident	67.3	Low	31 Å²	31	91 Å²	91	12%	0.122	53%	0.53	C	S	.	.			trans	-61.6	138.9	178.8	176.6	-107.4	0	0	0	110.8	P77 D90 L128 D131 L471	Y74-P77 WeakPolarHBondContact OH-CD 3.48Å; Y74-D90 WeakPolarHBondContact CE1-OD1 3.29Å; Y74-D90 VanDerWaalsContact CZ-OD1 3.26Å; Y74-D90 PolarHBondContact OH-OD1 2.86Å; Y74-D90 PolarHBondContact OH-OD2 3.34Å; Y74-L128 HydrophobicContact CD2-CD1 4.42Å; Y74-D131 HydrophobicContact CD1-CB 4.44Å; Y74-D131 HydrophobicContact CD2-CB 4.24Å; Y74-D131 HydrophobicContact CE1-CB 4.41Å; Y74-D131 HydrophobicContact CE2-CB 4.23Å; Y74-D131 HydrophobicContact CG-CB 4.36Å; Y74-L471 HydrophobicContact CD2-CD2 4.09Å
75	K	78.6	Confident	70	Confident	133 Å²	133	85.5 Å²	85.5	58%	0.578	49%	0.493	S	S	*	.			trans	-130.5	124.9	171.5	-173.9	-153.9	170.1	-155.3	0	107	E78	K75-E78 IonicContact NZ-OE2 2.74Å; K75-E78 PolarHBondContact NZ-OE2 3.12Å
76	A	79.3	Confident	72.6	Confident	39 Å²	39	77.2 Å²	77.2	32%	0.322	46%	0.463	S	S	.	.			trans	-45	126	170.6	0	0	0	0	0	111.3	D90	A76-D90 WeakPolarHBondContact CA-OD2 3.39Å; A76-D90 HydrophobicContact CB-CB 4.23Å; A76-D90 WeakPolarHBondContact CB-OD2 3.15Å
77	P	81.8	Confident	75	Confident	13 Å²	13	74.7 Å²	74.7	8%	0.084	44%	0.436	C	S	.	.			trans	-67.7	135.4	176.6	27.9	-33.5	0	0	0	110.4	Y74 W464 D467	Y74-P77 WeakPolarHBondContact OH-CD 3.48Å; P77-W464 HydrophobicContact CB-CD2 4.42Å; P77-W464 HydrophobicContact CB-CE3 4Å; P77-W464 HydrophobicContact CB-CH2 3.75Å; P77-W464 HydrophobicContact CB-CZ2 4.17Å; P77-W464 HydrophobicContact CB-CZ3 3.65Å; P77-W464 HydrophobicContact CG-CH2 3.55Å; P77-W464 HydrophobicContact CG-CZ2 3.73Å; P77-W464 HydrophobicContact CG-CZ3 4.02Å; P77-D467 HydrophobicContact CB-CB 4.48Å
78	E	83.5	Confident	77.3	Confident	125 Å²	125	69.4 Å²	69.4	58%	0.584	40%	0.402	S	S	*	.			trans	-106.5	123.1	179.8	-73.8	174.3	137.9	0	0	109.3	K75 M80	K75-E78 IonicContact NZ-OE2 2.74Å; K75-E78 PolarHBondContact NZ-OE2 3.12Å; E78-M80 PolarHBondContact O-N 3.04Å
79	P	82.8	Confident	79.3	Confident	52 Å²	52	65.2 Å²	65.2	34%	0.338	37%	0.368	S	S	.	.			trans	-72.4	99.7	-171	27.5	-34.4	0	0	0	111.2	G81 A86 F453 W464	P79-G81 PolarHBondContact O-N 3.27Å; P79-A86 HydrophobicContact CB-CB 3.96Å; P79-A86 HydrophobicContact CG-CB 4.15Å; P79-F453 HydrophobicContact CB-CE2 4.11Å; P79-W464 HydrophobicContact CB-CE3 4.27Å; P79-W464 HydrophobicContact CB-CZ3 3.88Å; P79-W464 HydrophobicContact CG-CZ3 4.42Å
80	M	78.4	Confident	81	Confident	129 Å²	129	63.7 Å²	63.7	64%	0.635	35%	0.349	S	S	*	.			trans	-89.7	93	-179.6	-72.8	-168	-74.7	0	0	112.1	E78 T460	E78-M80 PolarHBondContact O-N 3.04Å; M80-T460 WeakPolarHBondContact O-CG2 3.27Å
81	G	83.5	Confident	82.6	Confident	48 Å²	48	68 Å²	68	50%	0.495	35%	0.35	S	S	.	.	S	Bend	trans	138.9	-169.8	173.4	0	0	0	0	0	112.8	P79 H83	P79-G81 PolarHBondContact O-N 3.27Å; G81-H83 PolarHBondContact O-N 3.5Å; G81-H83 PolarHBondContact O-ND1 3.49Å
82	E	87.4	Confident	83.7	Confident	93 Å²	93	60.5 Å²	60.5	44%	0.435	33%	0.326	S	S	.	.			trans	-75.5	123.7	174.2	-167.3	172.2	-149.1	0	0	110	R151 T455 N456	E82-R151 IonicContact OE1-CZ 2.73Å; E82-R151 IonicContact OE1-NH1 2.66Å; E82-R151 PolarHBondContact OE1-NH1 3.28Å; E82-R151 IonicContact OE1-NH2 3.23Å; E82-R151 PolarHBondContact OE1-NH2 2.86Å; E82-R151 IonicContact OE2-NH2 3.82Å; E82-T455 PolarHBondContact O-OG1 3.31Å; E82-N456 PolarHBondContact OE2-ND2 2.94Å
83	H	91.8	Very high	84.8	Confident	45 Å²	45	60.5 Å²	60.5	21%	0.208	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.4	-179.9	59.3	-79.4	0	0	0	109.6	G81 F453 I454	G81-H83 PolarHBondContact O-N 3.5Å; G81-H83 PolarHBondContact O-ND1 3.49Å; H83-F453 HydrophobicContact CB-CE2 3.75Å; H83-F453 HydrophobicContact CB-CZ 3.9Å; H83-I454 WeakPolarHBondContact CA-O 3.43Å
84	F	93.1	Very high	85.5	Confident	5 Å²	5	56.9 Å²	56.9	2%	0.022	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-27.9	179.9	-63.5	-103.8	0	0	0	111.3	L149 L150 R151 F153 I454 N456	F84-L149 HydrophobicContact CB-CD2 3.95Å; F84-L149 HydrophobicContact CB-CG 4.48Å; F84-L150 WeakPolarHBondContact O-CB 3.42Å; F84-L150 PolarHBondContact O-N 3.45Å; F84-R151 HydrophobicContact CD1-CG 3.61Å; F84-R151 HydrophobicContact CE1-CG 4.02Å; F84-F153 HydrophobicContact CD1-CB 4.02Å; F84-F153 AromaticContact CD1-CD2 3.85Å; F84-F153 HydrophobicContact CD1-CD2 3.85Å; F84-F153 HydrophobicContact CD1-CG 4.43Å; F84-F153 AromaticContact CD2-CD2 3.86Å; F84-F153 HydrophobicContact CD2-CD2 3.86Å; F84-F153 HydrophobicContact CD2-CE2 4.35Å; F84-F153 HydrophobicContact CE1-CB 4.12Å; F84-F153 AromaticContact CE1-CD2 3.57Å; F84-F153 HydrophobicContact CE1-CD2 3.57Å; F84-F153 HydrophobicContact CE1-CE2 4.38Å; F84-F153 HydrophobicContact CE1-CG 4.22Å; F84-F153 AromaticContact CE2-CD2 3.59Å; F84-F153 HydrophobicContact CE2-CD2 3.59Å; F84-F153 AromaticContact CE2-CE2 3.79Å; F84-F153 HydrophobicContact CE2-CE2 3.79Å; F84-F153 AromaticContact CG-CD2 3.99Å; F84-F153 HydrophobicContact CG-CD2 3.99Å; F84-F153 AromaticContact CZ-CD2 3.42Å; F84-F153 HydrophobicContact CZ-CD2 3.42Å; F84-F153 VanDerWaalsContact CZ-CD2 3.42Å; F84-F153 AromaticContact CZ-CE2 3.78Å; F84-F153 HydrophobicContact CZ-CE2 3.78Å; F84-F153 HydrophobicContact CZ-CG 4.43Å; F84-I454 HydrophobicContact CB-CB 4.4Å; F84-I454 HydrophobicContact CB-CG2 4.17Å; F84-I454 PolarHBondContact N-O 3.5Å; F84-N456 HydrophobicContact CE2-CB 4.11Å
85	F	94.7	Very high	85.8	Confident	14 Å²	14	60.8 Å²	60.8	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	141.5	175.6	-162.6	-106.1	0	0	0	109.3	E87 W97 A147 L149 F452 I454	F85-E87 HydrophobicContact CE1-CB 3.73Å; F85-E87 HydrophobicContact CZ-CB 4.04Å; F85-W97 HydrophobicContact CE1-CZ2 4.12Å; F85-W97 AromaticContact CZ-CZ2 3.88Å; F85-W97 HydrophobicContact CZ-CZ2 3.88Å; F85-A147 HydrophobicContact CE2-CB 3.65Å; F85-A147 HydrophobicContact CZ-CB 3.6Å; F85-L149 HydrophobicContact CB-CG 4.28Å; F85-L149 HydrophobicContact CD2-CD1 4.45Å; F85-F452 HydrophobicContact CD1-CB 3.92Å; F85-F452 HydrophobicContact CE1-CB 3.69Å; F85-F452 HydrophobicContact CE1-CG 4.46Å; F85-I454 HydrophobicContact CB-CB 3.96Å; F85-I454 HydrophobicContact CB-CD1 3.9Å; F85-I454 HydrophobicContact CB-CG1 3.92Å; F85-I454 PolarHBondContact N-O 3.35Å; F85-I454 PolarHBondContact O-N 2.93Å
86	A	93.9	Very high	86.1	Confident	31 Å²	31	56.9 Å²	56.9	26%	0.256	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	119.4	173.1	0	0	0	0	0	107.8	P79 F452 F453	P79-A86 HydrophobicContact CB-CB 3.96Å; P79-A86 HydrophobicContact CG-CB 4.15Å; A86-F452 CarbonylContact C-O 3.4Å; A86-F452 VanDerWaalsContact CA-O 3.27Å; A86-F452 WeakPolarHBondContact CA-O 3.3Å; A86-F453 HydrophobicContact CB-CD2 3.83Å; A86-F453 HydrophobicContact CB-CE2 4.04Å
87	E	92.9	Very high	86.8	Confident	33 Å²	33	56 Å²	56	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	121	179.6	175.8	70.5	-86.3	0	0	110	F85 F89 W97 D451 F452	F85-E87 HydrophobicContact CE1-CB 3.73Å; F85-E87 HydrophobicContact CZ-CB 4.04Å; E87-F89 HydrophobicContact CG-CD1 3.84Å; E87-F89 HydrophobicContact CG-CD2 3.95Å; E87-F89 HydrophobicContact CG-CE1 3.59Å; E87-F89 HydrophobicContact CG-CE2 3.71Å; E87-F89 HydrophobicContact CG-CG 4.01Å; E87-F89 HydrophobicContact CG-CZ 3.51Å; E87-F89 PolarHBondContact OE1-N 3Å; E87-W97 HydrophobicContact CB-CZ2 4.5Å; E87-W97 HydrophobicContact CG-CZ2 4.02Å; E87-W97 PolarHBondContact OE2-NE1 2.93Å; E87-D451 CarbonylContact O-C 3.57Å; E87-D451 VanDerWaalsContact O-CA 3.25Å; E87-D451 WeakPolarHBondContact O-CA 3.47Å; E87-D451 PolarHBondContact O-N 2.68Å; E87-F452 HydrophobicContact CB-CB 4.34Å; E87-F452 PolarHBondContact N-O 3.39Å; E87-F452 PolarHBondContact O-N 2.98Å
88	S	89.2	Confident	87.3	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	32%	0.318	C	S	.	.			trans	-120.4	6.3	177.9	57.6	0	0	0	0	112.5	D90	S88-D90 WeakPolarHBondContact CB-OD2 3.31Å; S88-D90 PolarHBondContact O-N 3.28Å; S88-D90 PolarHBondContact OG-OD2 3.23Å
89	F	89.6	Confident	87.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.311	C	S	.	.			trans	50.8	7.8	177.7	-54.7	-80.5	0	0	0	118.1	E87 R91 G92 W97 V120 K132 L134 F452	E87-F89 HydrophobicContact CG-CD1 3.84Å; E87-F89 HydrophobicContact CG-CD2 3.95Å; E87-F89 HydrophobicContact CG-CE1 3.59Å; E87-F89 HydrophobicContact CG-CE2 3.71Å; E87-F89 HydrophobicContact CG-CG 4.01Å; E87-F89 HydrophobicContact CG-CZ 3.51Å; E87-F89 PolarHBondContact OE1-N 3Å; F89-R91 PolarHBondContact O-N 3.1Å; F89-G92 PolarHBondContact O-N 3.37Å; F89-W97 HydrophobicContact CE1-CD2 4.4Å; F89-W97 AromaticContact CE1-CE2 3.64Å; F89-W97 AromaticContact CE1-CZ2 3.95Å; F89-W97 HydrophobicContact CE1-CZ2 3.95Å; F89-W97 AromaticContact CE1-NE1 3.39Å; F89-W97 AromaticContact CZ-CE2 3.71Å; F89-W97 HydrophobicContact CZ-CH2 4.23Å; F89-W97 AromaticContact CZ-CZ2 3.49Å; F89-W97 HydrophobicContact CZ-CZ2 3.49Å; F89-W97 VanDerWaalsContact CZ-CZ2 3.49Å; F89-W97 AromaticContact CZ-NE1 3.89Å; F89-V120 HydrophobicContact CB-CG1 3.93Å; F89-V120 HydrophobicContact CD1-CG2 4.26Å; F89-K132 WeakPolarHBondContact CB-O 3.46Å; F89-L134 HydrophobicContact CD1-CB 4.43Å; F89-L134 HydrophobicContact CD2-CB 4.24Å; F89-L134 HydrophobicContact CE1-CB 3.9Å; F89-L134 HydrophobicContact CE1-CD2 4.49Å; F89-L134 HydrophobicContact CE2-CB 3.68Å; F89-L134 HydrophobicContact CZ-CB 3.49Å; F89-L134 VanDerWaalsContact CZ-CB 3.49Å; F89-L134 HydrophobicContact CZ-CD2 3.99Å; F89-L134 HydrophobicContact CZ-CG 4.29Å; F89-F452 AromaticContact CE2-CD2 3.66Å; F89-F452 HydrophobicContact CE2-CD2 3.66Å; F89-F452 AromaticContact CE2-CE2 3.67Å; F89-F452 HydrophobicContact CE2-CE2 3.67Å; F89-F452 AromaticContact CZ-CD2 3.9Å; F89-F452 HydrophobicContact CZ-CD2 3.9Å; F89-F452 AromaticContact CZ-CE2 3.81Å; F89-F452 HydrophobicContact CZ-CE2 3.81Å
90	D	84.7	Confident	88	Confident	41 Å²	41	53.4 Å²	53.4	22%	0.219	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-30.8	179.9	-67.5	-53.2	0	0	0	114.1	Y74 A76 S88 G92	Y74-D90 WeakPolarHBondContact CE1-OD1 3.29Å; Y74-D90 VanDerWaalsContact CZ-OD1 3.26Å; Y74-D90 PolarHBondContact OH-OD1 2.86Å; Y74-D90 PolarHBondContact OH-OD2 3.34Å; A76-D90 WeakPolarHBondContact CA-OD2 3.39Å; A76-D90 HydrophobicContact CB-CB 4.23Å; A76-D90 WeakPolarHBondContact CB-OD2 3.15Å; S88-D90 WeakPolarHBondContact CB-OD2 3.31Å; S88-D90 PolarHBondContact O-N 3.28Å; S88-D90 PolarHBondContact OG-OD2 3.23Å; D90-G92 PolarHBondContact O-N 3.43Å
91	R	82.3	Confident	88.2	Confident	210 Å²	210	53.4 Å²	53.4	79%	0.792	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.9	176.5	-69.9	-178.7	167.4	165.3	0.1	113.2	F89 T93	F89-R91 PolarHBondContact O-N 3.1Å; R91-T93 VanDerWaalsContact C-N 3.27Å; R91-T93 PolarHBondContact O-N 3.39Å
92	G	79.9	Confident	87.9	Confident	30 Å²	30	51.1 Å²	51.1	31%	0.309	27%	0.272	S	S	.	.	S	Bend	trans	72.5	16.7	-178.7	0	0	0	0	0	114.1	F89 D90	F89-G92 PolarHBondContact O-N 3.37Å; D90-G92 PolarHBondContact O-N 3.43Å
93	T	85.3	Confident	87	Confident	57 Å²	57	52.5 Å²	52.5	35%	0.35	28%	0.277	S	S	.	.	S	Bend	trans	-131.4	152.1	-177.5	53.2	0	0	0	0	110.7	R91 D95	R91-T93 VanDerWaalsContact C-N 3.27Å; R91-T93 PolarHBondContact O-N 3.39Å; T93-D95 VanDerWaalsContact CB-OD2 3.24Å; T93-D95 WeakPolarHBondContact CB-OD2 3.48Å; T93-D95 PolarHBondContact O-N 2.85Å; T93-D95 VanDerWaalsContact OG1-CG 3.25Å; T93-D95 PolarHBondContact OG1-OD2 3.36Å
94	L	86	Confident	85.5	Confident	51 Å²	51	55.6 Å²	55.6	27%	0.267	29%	0.29	S	S	.	.			trans	-84.7	34.7	173.9	-65.7	172.9	0	0	0	111.5	G96 W97 V120 L134 I145	L94-G96 PolarHBondContact O-N 3.09Å; L94-G96 VanDerWaalsContact O-N 3.14Å; L94-W97 HydrophobicContact CB-CB 4.38Å; L94-W97 PolarHBondContact O-N 3.44Å; L94-W97 VanDerWaalsContact O-N 3.07Å; L94-V120 HydrophobicContact CD2-CG2 3.43Å; L94-V120 VanDerWaalsContact CD2-CG2 3.43Å; L94-V120 HydrophobicContact CG-CG2 3.83Å; L94-L134 HydrophobicContact CD2-CD1 3.6Å; L94-I145 HydrophobicContact CD2-CD1 4.33Å
95	D	83.4	Confident	83.7	Confident	113 Å²	113	60.9 Å²	60.9	60%	0.604	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	108.5	-172.4	-70.5	-33.8	0	0	0	110.8	T93	T93-D95 VanDerWaalsContact CB-OD2 3.24Å; T93-D95 WeakPolarHBondContact CB-OD2 3.48Å; T93-D95 PolarHBondContact O-N 2.85Å; T93-D95 VanDerWaalsContact OG1-CG 3.25Å; T93-D95 PolarHBondContact OG1-OD2 3.36Å
96	G	85.6	Confident	81.7	Confident	51 Å²	51	67 Å²	67	53%	0.526	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.6	-13.8	-174.3	0	0	0	0	0	113.7	L94 P148	L94-G96 PolarHBondContact O-N 3.09Å; L94-G96 VanDerWaalsContact O-N 3.14Å; G96-P148 WeakPolarHBondContact O-CD 3.23Å
97	W	93.3	Very high	79.7	Confident	20 Å²	20	67.6 Å²	67.6	8%	0.076	36%	0.356	C	S	.	.			trans	-93.2	132	175.9	-67.9	77.8	0	0	0	111.6	F85 E87 F89 L94 L134 I145 S146 A147 L436 L438 F452	F85-W97 HydrophobicContact CE1-CZ2 4.12Å; F85-W97 AromaticContact CZ-CZ2 3.88Å; F85-W97 HydrophobicContact CZ-CZ2 3.88Å; E87-W97 HydrophobicContact CB-CZ2 4.5Å; E87-W97 HydrophobicContact CG-CZ2 4.02Å; E87-W97 PolarHBondContact OE2-NE1 2.93Å; F89-W97 HydrophobicContact CE1-CD2 4.4Å; F89-W97 AromaticContact CE1-CE2 3.64Å; F89-W97 AromaticContact CE1-CZ2 3.95Å; F89-W97 HydrophobicContact CE1-CZ2 3.95Å; F89-W97 AromaticContact CE1-NE1 3.39Å; F89-W97 AromaticContact CZ-CE2 3.71Å; F89-W97 HydrophobicContact CZ-CH2 4.23Å; F89-W97 AromaticContact CZ-CZ2 3.49Å; F89-W97 HydrophobicContact CZ-CZ2 3.49Å; F89-W97 VanDerWaalsContact CZ-CZ2 3.49Å; F89-W97 AromaticContact CZ-NE1 3.89Å; L94-W97 HydrophobicContact CB-CB 4.38Å; L94-W97 PolarHBondContact O-N 3.44Å; L94-W97 VanDerWaalsContact O-N 3.07Å; W97-L134 HydrophobicContact CH2-CD2 4.48Å; W97-L134 HydrophobicContact CZ3-CD2 4.34Å; W97-I145 HydrophobicContact CB-CD1 3.79Å; W97-I145 HydrophobicContact CB-CG1 4.08Å; W97-I145 HydrophobicContact CD2-CD1 4.46Å; W97-I145 HydrophobicContact CE3-CD1 4.1Å; W97-I145 HydrophobicContact CE3-CG1 3.99Å; W97-I145 HydrophobicContact CE3-CG2 4.04Å; W97-I145 HydrophobicContact CG-CD1 4.39Å; W97-I145 HydrophobicContact CZ3-CG2 4.18Å; W97-S146 CarbonylContact C-O 3.56Å; W97-S146 WeakPolarHBondContact CA-O 3.21Å; W97-A147 HydrophobicContact CD2-CB 3.74Å; W97-A147 HydrophobicContact CE3-CB 3.91Å; W97-A147 HydrophobicContact CG-CB 4.19Å; W97-A147 HydrophobicContact CH2-CB 4.42Å; W97-A147 HydrophobicContact CZ2-CB 4.21Å; W97-A147 HydrophobicContact CZ3-CB 4.25Å; W97-L436 HydrophobicContact CH2-CD2 3.62Å; W97-L436 HydrophobicContact CZ3-CD2 3.94Å; W97-L438 HydrophobicContact CH2-CD1 4.38Å; W97-L438 HydrophobicContact CZ3-CD1 4.08Å; W97-F452 AromaticContact CH2-CD2 3.98Å; W97-F452 HydrophobicContact CH2-CD2 3.98Å; W97-F452 AromaticContact CH2-CE2 3.87Å; W97-F452 HydrophobicContact CH2-CE2 3.87Å; W97-F452 HydrophobicContact CH2-CZ 4.36Å; W97-F452 AromaticContact CZ2-CD2 3.95Å; W97-F452 HydrophobicContact CZ2-CD2 3.95Å; W97-F452 HydrophobicContact CZ2-CE2 4.17Å
98	V	92.6	Very high	77.5	Confident	40 Å²	40	72.5 Å²	72.5	24%	0.242	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.6	-179.3	-176.4	0	0	0	0	108.9	I145 S146 L190 D191	V98-I145 CarbonylContact O-C 3.6Å; V98-I145 WeakPolarHBondContact O-CA 3.25Å; V98-I145 WeakPolarHBondContact O-CG1 3.34Å; V98-S146 PolarHBondContact N-O 2.91Å; V98-S146 PolarHBondContact O-N 3.47Å; V98-L190 HydrophobicContact CB-CB 4.02Å; V98-L190 HydrophobicContact CG1-CB 3.94Å; V98-L190 HydrophobicContact CG2-CB 4.28Å; V98-L190 HydrophobicContact CG2-CD1 4.31Å; V98-D191 WeakPolarHBondContact CG1-OD1 3.14Å
99	L	91.1	Very high	75.7	Confident	84 Å²	84	80.1 Å²	80.1	44%	0.44	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.7	172	-70.2	165.5	0	0	0	109.7	K101 W118 I145	L99-K101 PolarHBondContact O-N 3.43Å; L99-W118 HydrophobicContact CD2-CG 4.28Å; L99-I145 HydrophobicContact CD2-CB 4.14Å; L99-I145 HydrophobicContact CD2-CD1 3.78Å; L99-I145 HydrophobicContact CD2-CG1 3.79Å; L99-I145 HydrophobicContact CG-CD1 4.35Å; L99-I145 HydrophobicContact CG-CG1 4.28Å
100	S	88.9	Confident	73.6	Confident	12 Å²	12	89.3 Å²	89.3	8%	0.084	46%	0.46	C	S	.	.			trans	-63.6	137.3	175.4	-174.5	0	0	0	0	110.9	A102 A144 F193	S100-A102 VanDerWaalsContact OG-CB 3.31Å; S100-A102 WeakPolarHBondContact OG-CB 3.49Å; S100-A102 PolarHBondContact OG-N 3.02Å; S100-A144 VanDerWaalsContact CB-CB 3.5Å; S100-A144 PolarHBondContact N-O 2.97Å; S100-F193 WeakPolarHBondContact CB-O 3.41Å; S100-F193 PolarHBondContact OG-N 3.36Å; S100-F193 PolarHBondContact OG-O 2.62Å
101	K	83.9	Confident	72	Confident	128 Å²	128	92.2 Å²	92.2	56%	0.557	48%	0.475	S	S	*	.			trans	-110.8	18.4	172	-51.5	-175.3	-171.8	83.7	0	110.8	L99 D191	L99-K101 PolarHBondContact O-N 3.43Å; K101-D191 PolarHBondContact N-O 2.79Å; K101-D191 IonicContact NZ-OD1 3.88Å; K101-D191 PolarHBondContact NZ-OD1 3.17Å; K101-D191 IonicContact NZ-OD2 2.72Å; K101-D191 PolarHBondContact NZ-OD2 3.13Å
102	A	76.3	Confident	70.8	Confident	1 Å²	1	84.2 Å²	84.2	1%	0.008	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-67.4	140.5	-175.8	0	0	0	0	0	112.6	S100 K113 Y114 V194	S100-A102 VanDerWaalsContact OG-CB 3.31Å; S100-A102 WeakPolarHBondContact OG-CB 3.49Å; S100-A102 PolarHBondContact OG-N 3.02Å; A102-K113 PolarHBondContact O-N 2.87Å; A102-Y114 HydrophobicContact CB-CD2 4.25Å; A102-Y114 HydrophobicContact CB-CE2 4.48Å; A102-V194 HydrophobicContact CB-CG1 3.25Å
103	K	69.3	Low	70.2	Confident	122 Å²	122	84.6 Å²	84.6	53%	0.53	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-93	164.7	-177.5	-59.3	-166.9	176.8	-154.8	0	111.1	E109	K103-E109 PolarHBondContact NZ-O 2.82Å; K103-E109 VanDerWaalsContact NZ-O 3.15Å
104	K	59.1	Low	69.7	Low	110 Å²	110	82.6 Å²	82.6	48%	0.478	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-87.2	132.5	171.6	-172.8	173.9	172.7	-173.5	0	108.9	D106 A107 K113	K104-D106 PolarHBondContact O-N 3.19Å; K104-A107 HydrophobicContact CB-CB 4.2Å; K104-A107 HydrophobicContact CD-CB 4.07Å; K104-A107 HydrophobicContact CG-CB 4.36Å; K104-K113 HydrophobicContact CB-CB 4.01Å; K104-K113 HydrophobicContact CB-CG 4.46Å
105	D	56.3	Low	69.3	Low	116 Å²	116	83.6 Å²	83.6	62%	0.62	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.8	-177.7	-62.7	-30.8	0	0	0	112.9	K196	D105-K196 IonicContact OD2-NZ 3.26Å; D105-K196 PolarHBondContact OD2-NZ 3.38Å
106	D	52.3	Low	69.3	Low	142 Å²	142	79 Å²	79	76%	0.759	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	38.4	-171.8	-50.2	-67.6	0	0	0	114.6	K104	K104-D106 PolarHBondContact O-N 3.19Å
107	A	52.2	Low	69.5	Low	44 Å²	44	83.4 Å²	83.4	36%	0.364	42%	0.422	S	S	.	.	S	Bend	trans	-145.7	163.1	177.3	0	0	0	0	0	114.1	K104	K104-A107 HydrophobicContact CB-CB 4.2Å; K104-A107 HydrophobicContact CD-CB 4.07Å; K104-A107 HydrophobicContact CG-CB 4.36Å
108	D	46.9	Very low	69.4	Low	136 Å²	136	83.7 Å²	83.7	73%	0.727	42%	0.423	S	S	*	.			trans	-52.1	142.1	175.9	-75	-47.6	0	0	0	112.2	E110 I111	D108-E110 PolarHBondContact O-N 3.03Å; D108-I111 PolarHBondContact O-N 3.17Å
109	E	50.3	Low	69.4	Low	174 Å²	174	83.1 Å²	83.1	81%	0.813	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-11	-166.2	-59.6	-172.4	155.7	0	0	116.4	K103	K103-E109 PolarHBondContact NZ-O 2.82Å; K103-E109 VanDerWaalsContact NZ-O 3.15Å
110	E	46.7	Very low	69.5	Low	193 Å²	193	80.7 Å²	80.7	90%	0.902	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-15.1	179.2	-67	-166.3	136.6	0	0	114.4	D108 A112	D108-E110 PolarHBondContact O-N 3.03Å; E110-A112 PolarHBondContact O-N 3.47Å
111	I	49.7	Very low	69.6	Low	103 Å²	103	82.7 Å²	82.7	53%	0.528	42%	0.419	S	S	.	.			trans	-94.6	99.2	-178.5	-52.6	179.8	0	0	0	110.1	D108 K113	D108-I111 PolarHBondContact O-N 3.17Å; I111-K113 PolarHBondContact O-N 2.65Å
112	A	57.4	Low	69.9	Low	42 Å²	42	80.4 Å²	80.4	35%	0.347	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-59.3	136.2	168.9	0	0	0	0	0	110.3	E110 Y114 D115	E110-A112 PolarHBondContact O-N 3.47Å; A112-Y114 PolarHBondContact O-N 3.36Å; A112-D115 HydrophobicContact CB-CB 4.48Å
113	K	66.8	Low	70.4	Confident	38 Å²	38	81 Å²	81	17%	0.165	41%	0.414	C	S	.	.	S	Bend	trans	-64.7	-33.1	175.3	-176.3	172.8	172.6	178.2	0	110.9	A102 K104 I111 H142 D195	A102-K113 PolarHBondContact O-N 2.87Å; K104-K113 HydrophobicContact CB-CB 4.01Å; K104-K113 HydrophobicContact CB-CG 4.46Å; I111-K113 PolarHBondContact O-N 2.65Å; K113-H142 WeakPolarHBondContact O-CB 3.11Å; K113-D195 IonicContact NZ-OD1 3.6Å; K113-D195 PolarHBondContact NZ-OD1 2.89Å; K113-D195 IonicContact NZ-OD2 3.65Å; K113-D195 PolarHBondContact NZ-OD2 2.85Å
114	Y	74.7	Confident	71.1	Confident	15 Å²	15	80.6 Å²	80.6	6%	0.059	41%	0.412	C	S	.	.			trans	-115.1	83.2	-177.3	-60.4	-79.6	0	0	0	110.1	A102 A112 H142 A144 V194 D195 E439	A102-Y114 HydrophobicContact CB-CD2 4.25Å; A102-Y114 HydrophobicContact CB-CE2 4.48Å; A112-Y114 PolarHBondContact O-N 3.36Å; Y114-H142 WeakPolarHBondContact CA-O 3.41Å; Y114-H142 HydrophobicContact CD1-CB 3.39Å; Y114-H142 HydrophobicContact CE1-CB 3.57Å; Y114-H142 HydrophobicContact CG-CB 4.33Å; Y114-A144 HydrophobicContact CD1-CB 3.39Å; Y114-A144 HydrophobicContact CD2-CB 4.19Å; Y114-A144 HydrophobicContact CE1-CB 3.92Å; Y114-A144 HydrophobicContact CG-CB 3.55Å; Y114-V194 HydrophobicContact CE2-CB 4.27Å; Y114-V194 HydrophobicContact CE2-CG1 4.04Å; Y114-D195 PolarHBondContact OH-N 3.21Å; Y114-E439 HydrophobicContact CE1-CG 3.58Å; Y114-E439 WeakPolarHBondContact CE1-OE1 3.13Å; Y114-E439 PolarHBondContact OH-OE1 3.36Å
115	D	78.9	Confident	72	Confident	72 Å²	72	81.6 Å²	81.6	39%	0.385	42%	0.422	S	S	.	.			trans	-106.7	14.8	-178.3	74.8	-33.5	0	0	0	113.1	A112 K141 H142	A112-D115 HydrophobicContact CB-CB 4.48Å; D115-K141 WeakPolarHBondContact O-CD 3.42Å; D115-K141 PolarHBondContact O-NZ 3.12Å; D115-K141 VanDerWaalsContact OD1-CD 3.31Å; D115-K141 WeakPolarHBondContact OD1-CD 3.09Å; D115-K141 IonicContact OD1-NZ 2.84Å; D115-K141 VanDerWaalsContact OD2-CE 3.25Å; D115-K141 WeakPolarHBondContact OD2-CE 3.46Å; D115-K141 IonicContact OD2-NZ 3.02Å; D115-K141 PolarHBondContact OD2-NZ 3.32Å; D115-H142 PolarHBondContact N-O 2.88Å
116	G	83.3	Confident	72.9	Confident	15 Å²	15	78 Å²	78	16%	0.155	40%	0.404	C	S	.	.			trans	-70.9	142.4	174	0	0	0	0	0	113.5	H142 H143	G116-H142 PolarHBondContact N-O 3.16Å; G116-H142 VanDerWaalsContact N-O 3.12Å; G116-H143 WeakPolarHBondContact CA-CD2 3.46Å; G116-H143 WeakPolarHBondContact CA-NE2 3.26Å
117	K	89.4	Confident	74.2	Confident	145 Å²	145	76 Å²	76	63%	0.63	39%	0.389	S	S	*	.			trans	-104.1	134.5	-178.2	-61.1	-176.9	179.4	-178.1	0	112.1	K137 S138 H143	K117-K137 PolarHBondContact O-N 3.33Å; K117-S138 WeakPolarHBondContact CB-OG 3.45Å; K117-S138 PolarHBondContact N-OG 3.39Å; K117-H143 PolarHBondContact N-CD2 2.74Å; K117-H143 PolarHBondContact N-NE2 3Å
118	W	92.1	Very high	75.5	Confident	26 Å²	26	74 Å²	74	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.7	172.1	-59.3	93.4	0	0	0	110.6	L99 L134 V135 L136 H143 I145 L438 L440 F449	L99-W118 HydrophobicContact CD2-CG 4.28Å; W118-L134 HydrophobicContact CB-CD1 3.93Å; W118-L134 HydrophobicContact CD2-CD1 4.11Å; W118-L134 HydrophobicContact CD2-CG 4.45Å; W118-L134 HydrophobicContact CE3-CD1 3.63Å; W118-L134 HydrophobicContact CE3-CD2 3.93Å; W118-L134 HydrophobicContact CE3-CG 3.57Å; W118-L134 HydrophobicContact CG-CD1 4.29Å; W118-L134 HydrophobicContact CZ3-CD1 4.39Å; W118-L134 HydrophobicContact CZ3-CD2 3.87Å; W118-L134 HydrophobicContact CZ3-CG 3.84Å; W118-V135 WeakPolarHBondContact CA-O 3.48Å; W118-L136 HydrophobicContact CE3-CB 4.22Å; W118-L136 HydrophobicContact CH2-CD1 4.15Å; W118-L136 HydrophobicContact CZ3-CB 3.95Å; W118-L136 HydrophobicContact CZ3-CD1 4.37Å; W118-H143 HydrophobicContact CH2-CB 4.35Å; W118-H143 HydrophobicContact CZ2-CB 3.5Å; W118-I145 HydrophobicContact CD2-CG2 4.09Å; W118-I145 HydrophobicContact CG-CD1 4.25Å; W118-I145 HydrophobicContact CH2-CG2 4.05Å; W118-I145 HydrophobicContact CZ2-CB 4.24Å; W118-I145 HydrophobicContact CZ2-CG2 3.47Å; W118-I145 VanDerWaalsContact CZ2-CG2 3.47Å; W118-L438 HydrophobicContact CH2-CB 4.01Å; W118-L438 HydrophobicContact CH2-CD1 3.94Å; W118-L438 HydrophobicContact CZ2-CB 4.22Å; W118-L438 HydrophobicContact CZ3-CD1 4.32Å; W118-L440 HydrophobicContact CH2-CD1 4.26Å; W118-F449 HydrophobicContact CH2-CE2 4.4Å; W118-F449 HydrophobicContact CZ3-CD2 4.07Å; W118-F449 HydrophobicContact CZ3-CE2 4.06Å
119	A	92.5	Very high	77	Confident	28 Å²	28	72 Å²	72	23%	0.231	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154	171.3	0	0	0	0	0	109.6	V135 K137	A119-V135 PolarHBondContact N-O 2.96Å; A119-V135 PolarHBondContact O-N 3.02Å; A119-K137 HydrophobicContact CB-CD 4.26Å; A119-K137 HydrophobicContact CB-CG 3.82Å
120	V	92.8	Very high	78.4	Confident	32 Å²	32	65.1 Å²	65.1	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.4	166.6	-179.1	0	0	0	0	107.2	F89 L94 K132 G133	F89-V120 HydrophobicContact CB-CG1 3.93Å; F89-V120 HydrophobicContact CD1-CG2 4.26Å; L94-V120 HydrophobicContact CD2-CG2 3.43Å; L94-V120 VanDerWaalsContact CD2-CG2 3.43Å; L94-V120 HydrophobicContact CG-CG2 3.83Å; V120-K132 HydrophobicContact CG1-CB 4.07Å; V120-G133 WeakPolarHBondContact CA-O 3.31Å
121	E	91.3	Very high	80.3	Confident	54 Å²	54	56 Å²	56	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	164.2	-174.9	59.9	178.9	-148.9	0	0	110.8	G133 V135 K137 F448	E121-G133 PolarHBondContact N-O 2.99Å; E121-G133 PolarHBondContact O-N 3.34Å; E121-G133 VanDerWaalsContact O-N 3.11Å; E121-V135 HydrophobicContact CG-CB 3.92Å; E121-V135 HydrophobicContact CG-CG2 3.47Å; E121-V135 VanDerWaalsContact CG-CG2 3.47Å; E121-K137 IonicContact OE1-NZ 3.99Å; E121-K137 PolarHBondContact OE1-NZ 2.92Å; E121-K137 WeakPolarHBondContact OE2-CE 3.44Å; E121-K137 IonicContact OE2-NZ 2.65Å; E121-K137 PolarHBondContact OE2-NZ 3.19Å; E121-F448 WeakPolarHBondContact O-CE2 3.31Å
122	E	90.1	Very high	82.3	Confident	80 Å²	80	53.9 Å²	53.9	37%	0.374	29%	0.287	S	S	.	.			trans	-78	152.2	174.2	-54.7	-177.1	-173.9	0	0	109.8	D131 K132	E122-D131 WeakPolarHBondContact CG-O 3.28Å; E122-K132 HydrophobicContact CG-CG 3.69Å
123	M	86.2	Confident	83.9	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.074	27%	0.271	C	S	.	.			trans	-59.1	139.3	174.2	-68.9	-179.4	-89.8	0	0	111.5	D125 T126 D131 N167 T249 F448	M123-D125 PolarHBondContact O-N 2.93Å; M123-D125 VanDerWaalsContact O-N 3.15Å; M123-T126 WeakPolarHBondContact O-CB 3.32Å; M123-T126 PolarHBondContact O-N 3.39Å; M123-D131 VanDerWaalsContact CE-OD2 3.32Å; M123-D131 WeakPolarHBondContact CE-OD2 3.36Å; M123-N167 HydrophobicContact SD-CB 4.5Å; M123-T249 PolarHBondContact SD-OG1 3.02Å; M123-F448 HydrophobicContact CB-CE2 4.43Å; M123-F448 HydrophobicContact CE-CE1 4.14Å; M123-F448 HydrophobicContact CE-CZ 4.15Å; M123-F448 HydrophobicContact CG-CD1 3.96Å; M123-F448 HydrophobicContact CG-CD2 3.5Å; M123-F448 VanDerWaalsContact CG-CD2 3.5Å; M123-F448 HydrophobicContact CG-CE1 3.84Å; M123-F448 HydrophobicContact CG-CE2 3.4Å; M123-F448 HydrophobicContact CG-CG 3.81Å; M123-F448 HydrophobicContact CG-CZ 3.58Å; M123-F448 HydrophobicContact SD-CD1 4.17Å; M123-F448 HydrophobicContact SD-CE1 4.01Å; M123-F448 HydrophobicContact SD-CZ 4.25Å
124	K	83.4	Confident	85.3	Confident	113 Å²	113	50.1 Å²	50.1	49%	0.491	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.9	179.6	-70.3	171.6	-173.6	174.7	0	113	Q169 S170 D446	K124-Q169 VanDerWaalsContact CG-OE1 3.31Å; K124-S170 PolarHBondContact NZ-OG 2.76Å; K124-D446 VanDerWaalsContact CE-CG 3.48Å; K124-D446 IonicContact NZ-OD1 4Å; K124-D446 IonicContact NZ-OD2 2.61Å; K124-D446 PolarHBondContact NZ-OD2 2.87Å
125	D	78.4	Confident	86.2	Confident	130 Å²	130	49.4 Å²	49.4	70%	0.695	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	29.7	-179.4	-81.2	-58.9	0	0	0	112.6	M123 K127	M123-D125 PolarHBondContact O-N 2.93Å; M123-D125 VanDerWaalsContact O-N 3.15Å; D125-K127 WeakPolarHBondContact O-CE 3.3Å; D125-K127 PolarHBondContact O-N 2.93Å; D125-K127 PolarHBondContact O-NZ 3.25Å
126	T	75.7	Confident	86.9	Confident	40 Å²	40	46 Å²	46	25%	0.245	24%	0.242	C	C	.	.			trans	-52.1	135.2	-175.4	-175.2	0	0	0	0	113.5	M123 L128	M123-T126 WeakPolarHBondContact O-CB 3.32Å; M123-T126 PolarHBondContact O-N 3.39Å; T126-L128 VanDerWaalsContact OG1-C 3.29Å; T126-L128 PolarHBondContact OG1-N 3.05Å; T126-L128 PolarHBondContact OG1-O 3.35Å
127	K	78.4	Confident	87.3	Confident	100 Å²	100	48.6 Å²	48.6	44%	0.435	25%	0.249	S	C	.	.	S	Bend	trans	-99.5	-9.2	169.6	-50.8	-52.9	177.8	-126.8	0	112.2	D125 A475 E476 A479	D125-K127 WeakPolarHBondContact O-CE 3.3Å; D125-K127 PolarHBondContact O-N 2.93Å; D125-K127 PolarHBondContact O-NZ 3.25Å; K127-A475 HydrophobicContact CB-CB 4.08Å; K127-E476 HydrophobicContact CG-CG 4.18Å; K127-A479 HydrophobicContact CD-CB 3.89Å; K127-A479 HydrophobicContact CG-CB 4.12Å
128	L	79.6	Confident	87.3	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.224	C	C	.	.	S	Bend	trans	-124.5	94.5	178.3	-71.3	-178.5	0	0	0	109.6	V72 Y74 T126 G130 D131 L471 K472 A475	V72-L128 HydrophobicContact CB-CD2 3.77Å; V72-L128 HydrophobicContact CG1-CD2 3.72Å; Y74-L128 HydrophobicContact CD2-CD1 4.42Å; T126-L128 VanDerWaalsContact OG1-C 3.29Å; T126-L128 PolarHBondContact OG1-N 3.05Å; T126-L128 PolarHBondContact OG1-O 3.35Å; L128-G130 PolarHBondContact O-N 3.07Å; L128-D131 HydrophobicContact CB-CB 4.22Å; L128-D131 WeakPolarHBondContact O-CB 3.45Å; L128-D131 PolarHBondContact O-N 3.29Å; L128-L471 HydrophobicContact CD1-CB 4.24Å; L128-L471 HydrophobicContact CD1-CD2 3.95Å; L128-L471 HydrophobicContact CD1-CG 3.9Å; L128-K472 HydrophobicContact CD1-CB 4.35Å; L128-K472 HydrophobicContact CD1-CG 3.9Å; L128-A475 HydrophobicContact CD1-CB 4.18Å; L128-A475 HydrophobicContact CD2-CB 3.66Å; L128-A475 HydrophobicContact CG-CB 3.68Å
129	P	79.1	Confident	87.2	Confident	94 Å²	94	48.6 Å²	48.6	61%	0.61	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	133.1	179.9	27.9	-33.8	0	0	0	110.8
130	G	80	Confident	87	Confident	30 Å²	30	49.3 Å²	49.3	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	-17.1	-176.2	0	0	0	0	0	115	L128	L128-G130 PolarHBondContact O-N 3.07Å
131	D	86.4	Confident	86.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.			trans	-72.2	122.6	171	-176.2	39.8	0	0	0	110.1	Y74 E122 M123 L128 K472	Y74-D131 HydrophobicContact CD1-CB 4.44Å; Y74-D131 HydrophobicContact CD2-CB 4.24Å; Y74-D131 HydrophobicContact CE1-CB 4.41Å; Y74-D131 HydrophobicContact CE2-CB 4.23Å; Y74-D131 HydrophobicContact CG-CB 4.36Å; E122-D131 WeakPolarHBondContact CG-O 3.28Å; M123-D131 VanDerWaalsContact CE-OD2 3.32Å; M123-D131 WeakPolarHBondContact CE-OD2 3.36Å; L128-D131 HydrophobicContact CB-CB 4.22Å; L128-D131 WeakPolarHBondContact O-CB 3.45Å; L128-D131 PolarHBondContact O-N 3.29Å; D131-K472 VanDerWaalsContact CG-CE 3.49Å; D131-K472 VanDerWaalsContact OD1-CE 3.23Å; D131-K472 WeakPolarHBondContact OD1-CE 3.37Å; D131-K472 IonicContact OD1-NZ 3.31Å; D131-K472 PolarHBondContact OD1-NZ 3.33Å; D131-K472 WeakPolarHBondContact OD2-CD 3.23Å; D131-K472 WeakPolarHBondContact OD2-CE 3.42Å; D131-K472 IonicContact OD2-NZ 3.58Å
132	K	90.9	Very high	86.7	Confident	60 Å²	60	51 Å²	51	26%	0.261	26%	0.257	S	S	.	.			trans	-133.9	138.1	-172.7	-71.3	174.8	-171.9	165	0	109.6	F89 V120 E122	F89-K132 WeakPolarHBondContact CB-O 3.46Å; V120-K132 HydrophobicContact CG1-CB 4.07Å; E122-K132 HydrophobicContact CG-CG 3.69Å
133	G	92.4	Very high	86.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	174.2	177.4	0	0	0	0	0	112.5	V120 E121 F448 F449	V120-G133 WeakPolarHBondContact CA-O 3.31Å; E121-G133 PolarHBondContact N-O 2.99Å; E121-G133 PolarHBondContact O-N 3.34Å; E121-G133 VanDerWaalsContact O-N 3.11Å; G133-F448 VanDerWaalsContact CA-CZ 3.45Å; G133-F448 VanDerWaalsContact N-CZ 3.27Å; G133-F449 CarbonylContact C-O 3.53Å; G133-F449 WeakPolarHBondContact CA-O 3.25Å
134	L	94.8	Very high	87.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.1	174.3	175.1	68.2	0	0	0	109.9	F89 L94 W97 W118 I145 L438 F449	F89-L134 HydrophobicContact CD1-CB 4.43Å; F89-L134 HydrophobicContact CD2-CB 4.24Å; F89-L134 HydrophobicContact CE1-CB 3.9Å; F89-L134 HydrophobicContact CE1-CD2 4.49Å; F89-L134 HydrophobicContact CE2-CB 3.68Å; F89-L134 HydrophobicContact CZ-CB 3.49Å; F89-L134 VanDerWaalsContact CZ-CB 3.49Å; F89-L134 HydrophobicContact CZ-CD2 3.99Å; F89-L134 HydrophobicContact CZ-CG 4.29Å; L94-L134 HydrophobicContact CD2-CD1 3.6Å; W97-L134 HydrophobicContact CH2-CD2 4.48Å; W97-L134 HydrophobicContact CZ3-CD2 4.34Å; W118-L134 HydrophobicContact CB-CD1 3.93Å; W118-L134 HydrophobicContact CD2-CD1 4.11Å; W118-L134 HydrophobicContact CD2-CG 4.45Å; W118-L134 HydrophobicContact CE3-CD1 3.63Å; W118-L134 HydrophobicContact CE3-CD2 3.93Å; W118-L134 HydrophobicContact CE3-CG 3.57Å; W118-L134 HydrophobicContact CG-CD1 4.29Å; W118-L134 HydrophobicContact CZ3-CD1 4.39Å; W118-L134 HydrophobicContact CZ3-CD2 3.87Å; W118-L134 HydrophobicContact CZ3-CG 3.84Å; L134-I145 HydrophobicContact CD1-CD1 4.41Å; L134-I145 HydrophobicContact CD2-CG2 4.25Å; L134-L438 HydrophobicContact CD2-CD1 3.55Å; L134-F449 HydrophobicContact CB-CB 4.31Å; L134-F449 PolarHBondContact N-O 3.23Å; L134-F449 PolarHBondContact O-N 3.23Å
135	V	94.3	Very high	87.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	-176.7	-170.9	0	0	0	0	112.3	W118 A119 E121 K137 D446 I447 F448	W118-V135 WeakPolarHBondContact CA-O 3.48Å; A119-V135 PolarHBondContact N-O 2.96Å; A119-V135 PolarHBondContact O-N 3.02Å; E121-V135 HydrophobicContact CG-CB 3.92Å; E121-V135 HydrophobicContact CG-CG2 3.47Å; E121-V135 VanDerWaalsContact CG-CG2 3.47Å; V135-K137 HydrophobicContact CB-CD 4.06Å; V135-K137 HydrophobicContact CG1-CD 3.6Å; V135-K137 PolarHBondContact O-N 3.43Å; V135-D446 HydrophobicContact CG1-CB 4.34Å; V135-I447 WeakPolarHBondContact CA-O 3.25Å; V135-F448 HydrophobicContact CG2-CB 4.29Å; V135-F448 HydrophobicContact CG2-CD2 3.52Å; V135-F448 HydrophobicContact CG2-CE2 4.3Å; V135-F448 HydrophobicContact CG2-CG 4.28Å
136	L	93.1	Very high	88.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	104	172.8	-173.2	151.7	0	0	0	109.5	W118 S138 H143 L440 D446 I447 F449	W118-L136 HydrophobicContact CE3-CB 4.22Å; W118-L136 HydrophobicContact CH2-CD1 4.15Å; W118-L136 HydrophobicContact CZ3-CB 3.95Å; W118-L136 HydrophobicContact CZ3-CD1 4.37Å; L136-S138 WeakPolarHBondContact CD2-O 3.43Å; L136-H143 HydrophobicContact CD1-CB 4.04Å; L136-L440 HydrophobicContact CD1-CB 4.37Å; L136-L440 HydrophobicContact CD1-CD1 4.25Å; L136-D446 WeakPolarHBondContact O-CA 3.43Å; L136-D446 PolarHBondContact O-N 3.38Å; L136-I447 HydrophobicContact CB-CB 4.25Å; L136-I447 PolarHBondContact N-O 3.4Å; L136-F449 HydrophobicContact CB-CE2 4.43Å
137	K	91.6	Very high	89.3	Confident	70 Å²	70	33.3 Å²	33.3	30%	0.304	17%	0.171	S	C	.	.			trans	-92.4	-15.9	-169.9	-59.6	-61.2	-71.6	179.2	0	115.1	K117 A119 E121 V135 S445 D446	K117-K137 PolarHBondContact O-N 3.33Å; A119-K137 HydrophobicContact CB-CD 4.26Å; A119-K137 HydrophobicContact CB-CG 3.82Å; E121-K137 IonicContact OE1-NZ 3.99Å; E121-K137 PolarHBondContact OE1-NZ 2.92Å; E121-K137 WeakPolarHBondContact OE2-CE 3.44Å; E121-K137 IonicContact OE2-NZ 2.65Å; E121-K137 PolarHBondContact OE2-NZ 3.19Å; V135-K137 HydrophobicContact CB-CD 4.06Å; V135-K137 HydrophobicContact CG1-CD 3.6Å; V135-K137 PolarHBondContact O-N 3.43Å; K137-S445 WeakPolarHBondContact O-CB 3.49Å; K137-D446 WeakPolarHBondContact CE-OD1 3.49Å; K137-D446 IonicContact NZ-OD1 2.68Å; K137-D446 PolarHBondContact NZ-OD1 3.37Å
138	S	90.3	Very high	90.1	Very high	15 Å²	15	31.8 Å²	31.8	11%	0.105	17%	0.171	C	C	.	.			trans	-103	138.9	-171.3	-48.7	0	0	0	0	113.2	K117 L136 H143	K117-S138 WeakPolarHBondContact CB-OG 3.45Å; K117-S138 PolarHBondContact N-OG 3.39Å; L136-S138 WeakPolarHBondContact CD2-O 3.43Å; S138-H143 WeakPolarHBondContact CB-NE2 3.49Å; S138-H143 PolarHBondContact O-CE1 3.03Å
139	R	90.7	Very high	90.8	Very high	157 Å²	157	32.5 Å²	32.5	59%	0.592	18%	0.175	S	C	*	.	S	Bend	trans	-92.3	139.2	178.8	-172.9	172.9	-168	-170.4	4.6	111.5	M443	R139-M443 VanDerWaalsContact CG-O 3.23Å; R139-M443 WeakPolarHBondContact CG-O 3.47Å; R139-M443 PolarHBondContact NE-O 3.03Å
140	A	88.1	Confident	91.4	Very high	43 Å²	43	34.1 Å²	34.1	36%	0.355	18%	0.178	S	C	.	.	S	Bend	trans	56.3	47.5	175.8	0	0	0	0	0	113	W441 S442 M443	A140-W441 VanDerWaalsContact C-CH2 3.41Å; A140-W441 HydrophobicContact CB-CH2 4.4Å; A140-W441 HydrophobicContact CB-CZ2 4.45Å; A140-W441 VanDerWaalsContact O-CH2 3.25Å; A140-W441 WeakPolarHBondContact O-CH2 3.47Å; A140-S442 VanDerWaalsContact CA-O 3.23Å; A140-S442 WeakPolarHBondContact CA-O 3.37Å; A140-S442 PolarHBondContact N-O 3.19Å; A140-M443 HydrophobicContact CB-SD 3.69Å
141	K	88.6	Confident	92	Very high	60 Å²	60	37.2 Å²	37.2	26%	0.261	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151	-179.8	-68.5	-168.1	176.6	-151.1	0	111.6	D115 H143 W441	D115-K141 WeakPolarHBondContact O-CD 3.42Å; D115-K141 PolarHBondContact O-NZ 3.12Å; D115-K141 VanDerWaalsContact OD1-CD 3.31Å; D115-K141 WeakPolarHBondContact OD1-CD 3.09Å; D115-K141 IonicContact OD1-NZ 2.84Å; D115-K141 VanDerWaalsContact OD2-CE 3.25Å; D115-K141 WeakPolarHBondContact OD2-CE 3.46Å; D115-K141 IonicContact OD2-NZ 3.02Å; D115-K141 PolarHBondContact OD2-NZ 3.32Å; K141-H143 PolarHBondContact O-CE1 3.03Å; K141-H143 PolarHBondContact O-ND1 2.97Å; K141-W441 VanDerWaalsContact C-CZ3 3.5Å; K141-W441 VanDerWaalsContact CA-CZ3 3.48Å
142	H	88.8	Confident	92.4	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.278	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.5	167.2	-56.6	86.9	0	0	0	109.4	K113 Y114 D115 G116 L440 W441	K113-H142 WeakPolarHBondContact O-CB 3.11Å; Y114-H142 WeakPolarHBondContact CA-O 3.41Å; Y114-H142 HydrophobicContact CD1-CB 3.39Å; Y114-H142 HydrophobicContact CE1-CB 3.57Å; Y114-H142 HydrophobicContact CG-CB 4.33Å; D115-H142 PolarHBondContact N-O 2.88Å; G116-H142 PolarHBondContact N-O 3.16Å; G116-H142 VanDerWaalsContact N-O 3.12Å; H142-L440 CarbonylContact C-O 3.55Å; H142-L440 WeakPolarHBondContact CA-O 3.44Å; H142-W441 HydrophobicContact CB-CE3 4.38Å; H142-W441 AromaticContact CD2-CE3 3.65Å; H142-W441 AromaticContact CE1-CE3 3.32Å; H142-W441 AromaticContact CE1-CZ3 3.5Å; H142-W441 AromaticContact CG-CE3 3.57Å; H142-W441 AromaticContact ND1-CE3 3.4Å; H142-W441 AromaticContact ND1-CZ3 3.49Å; H142-W441 WeakPolarHBondContact ND1-CZ3 3.28Å; H142-W441 AromaticContact NE2-CE3 3.5Å
143	H	91	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.7	176.9	-63.7	71.1	0	0	0	107.9	G116 K117 W118 L136 S138 K141 E439 L440	G116-H143 WeakPolarHBondContact CA-CD2 3.46Å; G116-H143 WeakPolarHBondContact CA-NE2 3.26Å; K117-H143 PolarHBondContact N-CD2 2.74Å; K117-H143 PolarHBondContact N-NE2 3Å; W118-H143 HydrophobicContact CH2-CB 4.35Å; W118-H143 HydrophobicContact CZ2-CB 3.5Å; L136-H143 HydrophobicContact CD1-CB 4.04Å; S138-H143 WeakPolarHBondContact CB-NE2 3.49Å; S138-H143 PolarHBondContact O-CE1 3.03Å; K141-H143 PolarHBondContact O-CE1 3.03Å; K141-H143 PolarHBondContact O-ND1 2.97Å; H143-E439 CarbonylContact O-C 3.54Å; H143-E439 WeakPolarHBondContact O-CA 3.23Å; H143-L440 PolarHBondContact N-O 2.92Å; H143-L440 PolarHBondContact O-N 2.83Å
144	A	92.9	Very high	92.6	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.8	175.3	0	0	0	0	0	110.3	S100 Y114 F193 L438 E439	S100-A144 VanDerWaalsContact CB-CB 3.5Å; S100-A144 PolarHBondContact N-O 2.97Å; Y114-A144 HydrophobicContact CD1-CB 3.39Å; Y114-A144 HydrophobicContact CD2-CB 4.19Å; Y114-A144 HydrophobicContact CE1-CB 3.92Å; Y114-A144 HydrophobicContact CG-CB 3.55Å; A144-F193 HydrophobicContact CB-CD1 4.04Å; A144-L438 VanDerWaalsContact CA-O 3.29Å; A144-L438 WeakPolarHBondContact CA-O 3.23Å; A144-E439 HydrophobicContact CB-CG 4.31Å
145	I	94.1	Very high	92.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.2	175.1	-160.6	179.2	0	0	0	108.7	L94 W97 V98 L99 W118 L134 G437 L438	L94-I145 HydrophobicContact CD2-CD1 4.33Å; W97-I145 HydrophobicContact CB-CD1 3.79Å; W97-I145 HydrophobicContact CB-CG1 4.08Å; W97-I145 HydrophobicContact CD2-CD1 4.46Å; W97-I145 HydrophobicContact CE3-CD1 4.1Å; W97-I145 HydrophobicContact CE3-CG1 3.99Å; W97-I145 HydrophobicContact CE3-CG2 4.04Å; W97-I145 HydrophobicContact CG-CD1 4.39Å; W97-I145 HydrophobicContact CZ3-CG2 4.18Å; V98-I145 CarbonylContact O-C 3.6Å; V98-I145 WeakPolarHBondContact O-CA 3.25Å; V98-I145 WeakPolarHBondContact O-CG1 3.34Å; L99-I145 HydrophobicContact CD2-CB 4.14Å; L99-I145 HydrophobicContact CD2-CD1 3.78Å; L99-I145 HydrophobicContact CD2-CG1 3.79Å; L99-I145 HydrophobicContact CG-CD1 4.35Å; L99-I145 HydrophobicContact CG-CG1 4.28Å; W118-I145 HydrophobicContact CD2-CG2 4.09Å; W118-I145 HydrophobicContact CG-CD1 4.25Å; W118-I145 HydrophobicContact CH2-CG2 4.05Å; W118-I145 HydrophobicContact CZ2-CB 4.24Å; W118-I145 HydrophobicContact CZ2-CG2 3.47Å; W118-I145 VanDerWaalsContact CZ2-CG2 3.47Å; L134-I145 HydrophobicContact CD1-CD1 4.41Å; L134-I145 HydrophobicContact CD2-CG2 4.25Å; I145-G437 WeakPolarHBondContact O-CA 3.29Å; I145-L438 HydrophobicContact CG2-CB 4.04Å; I145-L438 HydrophobicContact CG2-CD1 4Å; I145-L438 PolarHBondContact N-O 2.78Å; I145-L438 PolarHBondContact O-N 2.96Å
146	S	95	Very high	92.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.4	-178.4	60.1	0	0	0	0	112.2	W97 V98 L436	W97-S146 CarbonylContact C-O 3.56Å; W97-S146 WeakPolarHBondContact CA-O 3.21Å; V98-S146 PolarHBondContact N-O 2.91Å; V98-S146 PolarHBondContact O-N 3.47Å; S146-L436 CarbonylContact C-O 3.44Å; S146-L436 WeakPolarHBondContact CA-O 3.49Å; S146-L436 VanDerWaalsContact CB-O 3.3Å; S146-L436 WeakPolarHBondContact CB-O 3.23Å
147	A	95.1	Very high	91.8	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.4	176.9	0	0	0	0	0	110.2	F85 W97 A435 L436	F85-A147 HydrophobicContact CE2-CB 3.65Å; F85-A147 HydrophobicContact CZ-CB 3.6Å; W97-A147 HydrophobicContact CD2-CB 3.74Å; W97-A147 HydrophobicContact CE3-CB 3.91Å; W97-A147 HydrophobicContact CG-CB 4.19Å; W97-A147 HydrophobicContact CH2-CB 4.42Å; W97-A147 HydrophobicContact CZ2-CB 4.21Å; W97-A147 HydrophobicContact CZ3-CB 4.25Å; A147-A435 CarbonylContact O-C 3.58Å; A147-A435 VanDerWaalsContact O-CA 3.28Å; A147-A435 WeakPolarHBondContact O-CA 3.22Å; A147-A435 WeakPolarHBondContact O-CB 3.41Å; A147-L436 PolarHBondContact N-O 3.46Å; A147-L436 PolarHBondContact O-N 3.12Å
148	P	95.1	Very high	91.8	Very high	68 Å²	68	48.1 Å²	48.1	44%	0.442	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	145.4	173.7	31	-33.1	0	0	0	110.7	G96 L190	G96-P148 WeakPolarHBondContact O-CD 3.23Å; P148-L190 HydrophobicContact CB-CD1 4.2Å; P148-L190 HydrophobicContact CG-CD1 4.42Å
149	L	94.1	Very high	92	Very high	18 Å²	18	49.1 Å²	49.1	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	158	170.3	-90.3	63.8	0	0	0	111.1	F84 F85 R151 F153 F433 S434 L436 I454	F84-L149 HydrophobicContact CB-CD2 3.95Å; F84-L149 HydrophobicContact CB-CG 4.48Å; F85-L149 HydrophobicContact CB-CG 4.28Å; F85-L149 HydrophobicContact CD2-CD1 4.45Å; L149-R151 WeakPolarHBondContact CB-O 3.44Å; L149-R151 PolarHBondContact O-N 2.82Å; L149-F153 HydrophobicContact CD2-CB 4.46Å; L149-F433 HydrophobicContact CD1-CD2 4.41Å; L149-F433 HydrophobicContact CD1-CE2 4.36Å; L149-F433 HydrophobicContact CD2-CD2 3.82Å; L149-F433 HydrophobicContact CD2-CE2 3.46Å; L149-F433 VanDerWaalsContact CD2-CE2 3.46Å; L149-F433 HydrophobicContact CD2-CZ 4.35Å; L149-S434 PolarHBondContact N-O 3.02Å; L149-L436 HydrophobicContact CD1-CB 4.39Å; L149-I454 HydrophobicContact CD1-CD1 4.38Å
150	L	92.6	Very high	92.3	Very high	127 Å²	127	41.6 Å²	41.6	67%	0.665	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	-31.4	171.8	-64	174.1	0	0	0	112.1	F84	F84-L150 WeakPolarHBondContact O-CB 3.42Å; F84-L150 PolarHBondContact O-N 3.45Å
151	R	92.8	Very high	92.7	Very high	96 Å²	96	39.7 Å²	39.7	36%	0.362	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	149.1	175.3	66.4	-170.8	-170.2	169.9	6	109.3	E82 F84 L149	E82-R151 IonicContact OE1-CZ 2.73Å; E82-R151 IonicContact OE1-NH1 2.66Å; E82-R151 PolarHBondContact OE1-NH1 3.28Å; E82-R151 IonicContact OE1-NH2 3.23Å; E82-R151 PolarHBondContact OE1-NH2 2.86Å; E82-R151 IonicContact OE2-NH2 3.82Å; F84-R151 HydrophobicContact CD1-CG 3.61Å; F84-R151 HydrophobicContact CE1-CG 4.02Å; L149-R151 WeakPolarHBondContact CB-O 3.44Å; L149-R151 PolarHBondContact O-N 2.82Å
152	P	93.3	Very high	93.1	Very high	56 Å²	56	36.9 Å²	36.9	36%	0.364	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	144.1	174.2	-23.1	33.7	0	0	0	112.1	F433	P152-F433 WeakPolarHBondContact CA-O 3.29Å
153	F	93.9	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.2	172.2	-175.4	-79.2	0	0	0	109.8	F84 L149 F155 L160 P432 F433	F84-F153 HydrophobicContact CD1-CB 4.02Å; F84-F153 AromaticContact CD1-CD2 3.85Å; F84-F153 HydrophobicContact CD1-CD2 3.85Å; F84-F153 HydrophobicContact CD1-CG 4.43Å; F84-F153 AromaticContact CD2-CD2 3.86Å; F84-F153 HydrophobicContact CD2-CD2 3.86Å; F84-F153 HydrophobicContact CD2-CE2 4.35Å; F84-F153 HydrophobicContact CE1-CB 4.12Å; F84-F153 AromaticContact CE1-CD2 3.57Å; F84-F153 HydrophobicContact CE1-CD2 3.57Å; F84-F153 HydrophobicContact CE1-CE2 4.38Å; F84-F153 HydrophobicContact CE1-CG 4.22Å; F84-F153 AromaticContact CE2-CD2 3.59Å; F84-F153 HydrophobicContact CE2-CD2 3.59Å; F84-F153 AromaticContact CE2-CE2 3.79Å; F84-F153 HydrophobicContact CE2-CE2 3.79Å; F84-F153 AromaticContact CG-CD2 3.99Å; F84-F153 HydrophobicContact CG-CD2 3.99Å; F84-F153 AromaticContact CZ-CD2 3.42Å; F84-F153 HydrophobicContact CZ-CD2 3.42Å; F84-F153 VanDerWaalsContact CZ-CD2 3.42Å; F84-F153 AromaticContact CZ-CE2 3.78Å; F84-F153 HydrophobicContact CZ-CE2 3.78Å; F84-F153 HydrophobicContact CZ-CG 4.43Å; L149-F153 HydrophobicContact CD2-CB 4.46Å; F153-F155 HydrophobicContact CD1-CD2 4.32Å; F153-F155 HydrophobicContact CD1-CE1 4.4Å; F153-F155 HydrophobicContact CD1-CE2 4.18Å; F153-F155 HydrophobicContact CD1-CG 4.48Å; F153-F155 HydrophobicContact CD1-CZ 4.22Å; F153-F155 AromaticContact CE1-CD1 3.94Å; F153-F155 HydrophobicContact CE1-CD1 3.94Å; F153-F155 HydrophobicContact CE1-CD2 4.46Å; F153-F155 HydrophobicContact CE1-CE1 4.01Å; F153-F155 HydrophobicContact CE1-CG 4.17Å; F153-F155 HydrophobicContact CE1-CZ 4.29Å; F153-L160 HydrophobicContact CD1-CD1 4.33Å; F153-L160 HydrophobicContact CD2-CD1 4.07Å; F153-L160 HydrophobicContact CE1-CB 3.97Å; F153-L160 HydrophobicContact CE1-CD1 4.12Å; F153-L160 HydrophobicContact CE1-CD2 4.45Å; F153-L160 HydrophobicContact CE1-CG 4.41Å; F153-L160 HydrophobicContact CE2-CB 4.43Å; F153-L160 HydrophobicContact CE2-CD1 3.84Å; F153-L160 HydrophobicContact CG-CD1 4.33Å; F153-L160 HydrophobicContact CZ-CB 3.72Å; F153-L160 HydrophobicContact CZ-CD1 3.88Å; F153-L160 HydrophobicContact CZ-CG 4.33Å; F153-P432 WeakPolarHBondContact O-CA 2.98Å; F153-P432 WeakPolarHBondContact O-CB 3.47Å; F153-F433 HydrophobicContact CB-CD1 3.97Å; F153-F433 HydrophobicContact CB-CD2 4.5Å; F153-F433 HydrophobicContact CB-CE1 3.46Å; F153-F433 VanDerWaalsContact CB-CE1 3.46Å; F153-F433 HydrophobicContact CB-CE2 4.06Å; F153-F433 HydrophobicContact CB-CG 4.45Å; F153-F433 HydrophobicContact CB-CZ 3.51Å; F153-F433 HydrophobicContact CD1-CD1 4.18Å; F153-F433 AromaticContact CD1-CE1 3.45Å; F153-F433 HydrophobicContact CD1-CE1 3.45Å; F153-F433 VanDerWaalsContact CD1-CE1 3.45Å; F153-F433 HydrophobicContact CD1-CZ 4.11Å; F153-F433 HydrophobicContact CD2-CZ 4.45Å; F153-F433 HydrophobicContact CE1-CE1 4.38Å; F153-F433 HydrophobicContact CG-CD1 4.41Å; F153-F433 AromaticContact CG-CE1 3.58Å; F153-F433 HydrophobicContact CG-CE1 3.58Å; F153-F433 AromaticContact CG-CZ 3.78Å; F153-F433 HydrophobicContact CG-CZ 3.78Å; F153-F433 PolarHBondContact N-O 2.89Å; F153-F433 PolarHBondContact O-N 2.82Å
154	T	93.8	Very high	93.7	Very high	69 Å²	69	34.2 Å²	34.2	42%	0.423	19%	0.192	S	C	.	.			trans	-113.8	129.8	179.9	54.6	0	0	0	0	111.1	D156 P432	T154-D156 PolarHBondContact O-N 3.12Å; T154-P432 HydrophobicContact CG2-CB 4.12Å
155	F	91.6	Very high	93.9	Very high	14 Å²	14	34 Å²	34	6%	0.061	19%	0.19	C	C	.	.			trans	-83.3	91.4	178.7	-61	-95.9	0	0	0	111.6	F153 L160 T200 I201 F428 M430 T431 F433	F153-F155 HydrophobicContact CD1-CD2 4.32Å; F153-F155 HydrophobicContact CD1-CE1 4.4Å; F153-F155 HydrophobicContact CD1-CE2 4.18Å; F153-F155 HydrophobicContact CD1-CG 4.48Å; F153-F155 HydrophobicContact CD1-CZ 4.22Å; F153-F155 AromaticContact CE1-CD1 3.94Å; F153-F155 HydrophobicContact CE1-CD1 3.94Å; F153-F155 HydrophobicContact CE1-CD2 4.46Å; F153-F155 HydrophobicContact CE1-CE1 4.01Å; F153-F155 HydrophobicContact CE1-CG 4.17Å; F153-F155 HydrophobicContact CE1-CZ 4.29Å; F155-L160 HydrophobicContact CE1-CB 4.36Å; F155-L160 HydrophobicContact CE1-CD2 3.58Å; F155-L160 HydrophobicContact CZ-CD2 3.74Å; F155-T200 HydrophobicContact CE2-CG2 3.89Å; F155-T200 HydrophobicContact CZ-CG2 4.13Å; F155-I201 HydrophobicContact CE1-CD1 4.14Å; F155-I201 HydrophobicContact CZ-CD1 3.94Å; F155-F428 HydrophobicContact CB-CD1 4.29Å; F155-F428 HydrophobicContact CB-CE1 3.97Å; F155-F428 HydrophobicContact CB-CZ 4.34Å; F155-F428 WeakPolarHBondContact CB-O 3.22Å; F155-F428 HydrophobicContact CD1-CD2 4.42Å; F155-F428 HydrophobicContact CD1-CE1 4.27Å; F155-F428 AromaticContact CD1-CE2 3.92Å; F155-F428 HydrophobicContact CD1-CE2 3.92Å; F155-F428 AromaticContact CD1-CZ 3.82Å; F155-F428 HydrophobicContact CD1-CZ 3.82Å; F155-F428 WeakPolarHBondContact CD1-O 3.47Å; F155-F428 WeakPolarHBondContact CG-O 3.5Å; F155-M430 HydrophobicContact CD1-CB 4.49Å; F155-M430 HydrophobicContact CD2-CB 3.89Å; F155-M430 HydrophobicContact CE1-SD 4.35Å; F155-M430 HydrophobicContact CE2-CB 4Å; F155-M430 HydrophobicContact CG-CB 4.16Å; F155-M430 HydrophobicContact CZ-CB 4.34Å; F155-M430 HydrophobicContact CZ-SD 4.46Å; F155-T431 WeakPolarHBondContact CE2-O 3.44Å; F155-F433 AromaticContact CE2-CD1 3.77Å; F155-F433 HydrophobicContact CE2-CD1 3.77Å; F155-F433 HydrophobicContact CE2-CE1 4.09Å; F155-F433 AromaticContact CZ-CD1 3.88Å; F155-F433 HydrophobicContact CZ-CD1 3.88Å; F155-F433 AromaticContact CZ-CE1 3.82Å; F155-F433 HydrophobicContact CZ-CE1 3.82Å
156	D	87.6	Confident	93.9	Very high	81 Å²	81	34 Å²	34	43%	0.433	19%	0.19	S	C	.	.	S	Bend	trans	-116.4	-59.5	-177	70.6	-25.8	0	0	0	113.8	T154 M158	T154-D156 PolarHBondContact O-N 3.12Å; D156-M158 PolarHBondContact OD1-N 3Å
157	S	87.4	Confident	93.9	Very high	81 Å²	81	34.3 Å²	34.3	57%	0.566	19%	0.192	S	C	*	.	S	Bend	trans	-159.1	-22.7	-171.2	64	0	0	0	0	112.9	A258	S157-A258 WeakPolarHBondContact O-CB 3.15Å
158	M	91.6	Very high	93.8	Very high	57 Å²	57	34.4 Å²	34.4	28%	0.281	19%	0.192	S	C	.	.	S	Bend	trans	-78.5	138.9	172.1	-65.7	176.6	-71.3	0	0	110.3	D156 F428 N456	D156-M158 PolarHBondContact OD1-N 3Å; M158-F428 WeakPolarHBondContact O-CZ 3.43Å; M158-N456 HydrophobicContact CB-CB 4.09Å; M158-N456 HydrophobicContact SD-CB 4.28Å; M158-N456 PolarHBondContact SD-ND2 2.72Å
159	P	94.9	Very high	93.5	Very high	36 Å²	36	32.2 Å²	32.2	23%	0.234	18%	0.176	C	C	.	.			trans	-69.3	161.2	172.8	33.2	-35.2	0	0	0	110.4	V256 N456	P159-V256 CarbonylContact C-O 3.37Å; P159-V256 VanDerWaalsContact CA-O 3.28Å; P159-V256 WeakPolarHBondContact CA-O 3.41Å; P159-V256 WeakPolarHBondContact CB-O 3.25Å; P159-N456 WeakPolarHBondContact CG-O 3.45Å; P159-N456 WeakPolarHBondContact O-CA 3.26Å
160	L	95.8	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126	172.6	173.9	58.7	0	0	0	109	F153 F155 I162 L181 I201 V255 V256 F433 I454	F153-L160 HydrophobicContact CD1-CD1 4.33Å; F153-L160 HydrophobicContact CD2-CD1 4.07Å; F153-L160 HydrophobicContact CE1-CB 3.97Å; F153-L160 HydrophobicContact CE1-CD1 4.12Å; F153-L160 HydrophobicContact CE1-CD2 4.45Å; F153-L160 HydrophobicContact CE1-CG 4.41Å; F153-L160 HydrophobicContact CE2-CB 4.43Å; F153-L160 HydrophobicContact CE2-CD1 3.84Å; F153-L160 HydrophobicContact CG-CD1 4.33Å; F153-L160 HydrophobicContact CZ-CB 3.72Å; F153-L160 HydrophobicContact CZ-CD1 3.88Å; F153-L160 HydrophobicContact CZ-CG 4.33Å; F155-L160 HydrophobicContact CE1-CB 4.36Å; F155-L160 HydrophobicContact CE1-CD2 3.58Å; F155-L160 HydrophobicContact CZ-CD2 3.74Å; L160-I162 HydrophobicContact CD1-CD1 4.46Å; L160-I162 HydrophobicContact CD1-CG1 3.94Å; L160-I162 HydrophobicContact CD2-CD1 4.02Å; L160-I162 HydrophobicContact CD2-CG1 4.38Å; L160-I162 HydrophobicContact CG-CD1 4.19Å; L160-I162 HydrophobicContact CG-CG1 4.04Å; L160-L181 HydrophobicContact CD2-CD1 4.21Å; L160-I201 HydrophobicContact CD2-CD1 3.67Å; L160-V255 CarbonylContact O-C 3.52Å; L160-V255 WeakPolarHBondContact O-CA 3.22Å; L160-V256 HydrophobicContact CB-CB 4.48Å; L160-V256 PolarHBondContact N-O 3.41Å; L160-V256 PolarHBondContact O-N 2.95Å; L160-F433 HydrophobicContact CD1-CE1 4.07Å; L160-F433 HydrophobicContact CD1-CZ 3.8Å; L160-F433 HydrophobicContact CD2-CE1 3.84Å; L160-F433 HydrophobicContact CD2-CZ 4.24Å; L160-I454 HydrophobicContact CD1-CG2 3.86Å
161	V	96.4	Very high	92.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.3	169.5	-173.1	0	0	0	0	108.8	T253 L254 V255 I454 T455 A461	V161-T253 HydrophobicContact CG1-CG2 4.07Å; V161-L254 WeakPolarHBondContact CA-O 3.39Å; V161-V255 HydrophobicContact CG1-CG2 4.22Å; V161-V255 HydrophobicContact CG2-CG1 4.35Å; V161-V255 HydrophobicContact CG2-CG2 4.28Å; V161-I454 WeakPolarHBondContact O-CA 3.32Å; V161-T455 HydrophobicContact CB-CG2 3.93Å; V161-T455 HydrophobicContact CG1-CG2 4.41Å; V161-T455 PolarHBondContact N-O 2.86Å; V161-T455 PolarHBondContact O-N 2.93Å; V161-A461 HydrophobicContact CB-CB 4.49Å; V161-A461 HydrophobicContact CG1-CB 3.58Å
162	I	96.6	Very high	92.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.8	174.4	-55.2	158.1	0	0	0	107	L160 L181 T253 L254 F453 I454	L160-I162 HydrophobicContact CD1-CD1 4.46Å; L160-I162 HydrophobicContact CD1-CG1 3.94Å; L160-I162 HydrophobicContact CD2-CD1 4.02Å; L160-I162 HydrophobicContact CD2-CG1 4.38Å; L160-I162 HydrophobicContact CG-CD1 4.19Å; L160-I162 HydrophobicContact CG-CG1 4.04Å; I162-L181 HydrophobicContact CD1-CD1 3.33Å; I162-L181 HydrophobicContact CD1-CG 4.16Å; I162-L181 HydrophobicContact CG1-CD1 4.2Å; I162-T253 CarbonylContact O-C 3.59Å; I162-T253 VanDerWaalsContact O-CA 3.31Å; I162-T253 WeakPolarHBondContact O-CA 3.43Å; I162-L254 HydrophobicContact CD1-CD2 4.24Å; I162-L254 PolarHBondContact N-O 2.88Å; I162-L254 PolarHBondContact O-N 2.86Å; I162-F453 WeakPolarHBondContact CA-O 3.11Å; I162-I454 HydrophobicContact CG1-CG1 4.47Å; I162-I454 HydrophobicContact CG2-CG1 4.36Å
163	Q	96.7	Very high	92.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.3	176.6	-173.5	175.5	-76.5	0	0	110	L251 Y252 T253 F452 F453	Q163-L251 HydrophobicContact CG-CD1 3.51Å; Q163-L251 HydrophobicContact CG-CD2 4.32Å; Q163-L251 HydrophobicContact CG-CG 3.91Å; Q163-Y252 WeakPolarHBondContact CA-O 3.25Å; Q163-T253 HydrophobicContact CB-CG2 4.32Å; Q163-T253 PolarHBondContact OE1-OG1 2.87Å; Q163-F452 WeakPolarHBondContact O-CA 3.38Å; Q163-F453 HydrophobicContact CB-CB 4.49Å; Q163-F453 PolarHBondContact N-O 2.64Å; Q163-F453 PolarHBondContact O-N 3.35Å
164	Y	97.1	Very high	92.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	162.4	168.3	70.2	-71.1	0	0	0	110.6	V166 A177 Y178 V179 F203 G204 P205 Y252 F449 F452	Y164-V166 HydrophobicContact CD2-CG2 3.77Å; Y164-V166 HydrophobicContact CE2-CG2 3.29Å; Y164-A177 PolarHBondContact OH-O 3.46Å; Y164-Y178 WeakPolarHBondContact OH-CA 3.24Å; Y164-V179 HydrophobicContact CD1-CG1 4.22Å; Y164-V179 HydrophobicContact CD1-CG2 4.31Å; Y164-V179 HydrophobicContact CD2-CG1 4.33Å; Y164-V179 HydrophobicContact CE1-CG1 4.01Å; Y164-V179 HydrophobicContact CE1-CG2 3.78Å; Y164-V179 HydrophobicContact CE2-CG1 4.09Å; Y164-V179 HydrophobicContact CG-CG1 4.38Å; Y164-F203 AromaticContact CE1-CD1 3.96Å; Y164-F203 HydrophobicContact CE1-CD1 3.96Å; Y164-F203 HydrophobicContact CE1-CE1 4.02Å; Y164-F203 PolarHBondContact OH-O 3.44Å; Y164-G204 VanDerWaalsContact OH-CA 3.26Å; Y164-G204 WeakPolarHBondContact OH-CA 3.22Å; Y164-P205 WeakPolarHBondContact OH-CD 3.45Å; Y164-Y252 PolarHBondContact N-O 3.03Å; Y164-Y252 VanDerWaalsContact N-O 3.09Å; Y164-Y252 PolarHBondContact O-N 2.92Å; Y164-F449 HydrophobicContact CD2-CD1 4.29Å; Y164-F449 HydrophobicContact CE2-CD1 4.11Å; Y164-F449 HydrophobicContact CE2-CE1 4.35Å; Y164-F452 HydrophobicContact CD2-CD1 4.2Å; Y164-F452 AromaticContact CD2-CE1 3.59Å; Y164-F452 HydrophobicContact CD2-CE1 3.59Å; Y164-F452 HydrophobicContact CD2-CZ 4.28Å; Y164-F452 HydrophobicContact CE2-CE1 4.36Å; Y164-F452 AromaticContact CG-CD1 3.9Å; Y164-F452 HydrophobicContact CG-CD1 3.9Å; Y164-F452 AromaticContact CG-CE1 3.77Å; Y164-F452 HydrophobicContact CG-CE1 3.77Å
165	E	95.4	Very high	92.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.7	-179.8	-65.8	175.6	-154.1	0	0	111	T249 H250 L251 F449 D450 D451 S468 W469 K472	E165-T249 HydrophobicContact CB-CG2 3.95Å; E165-T249 HydrophobicContact CG-CG2 4.38Å; E165-T249 WeakPolarHBondContact OE2-CG2 3.26Å; E165-H250 WeakPolarHBondContact CA-O 3.39Å; E165-L251 HydrophobicContact CG-CD1 3.52Å; E165-F449 WeakPolarHBondContact O-CA 3.5Å; E165-D450 HydrophobicContact CB-CB 4.13Å; E165-D450 PolarHBondContact N-O 2.88Å; E165-D450 PolarHBondContact O-N 3.34Å; E165-D450 VanDerWaalsContact O-N 3.13Å; E165-D451 HydrophobicContact CG-CB 4.18Å; E165-D451 WeakPolarHBondContact OE1-CB 3.37Å; E165-D451 VanDerWaalsContact OE1-OD2 3.05Å; E165-S468 PolarHBondContact OE1-OG 3.39Å; E165-W469 HydrophobicContact CG-CB 4.41Å; E165-W469 WeakPolarHBondContact OE1-CA 3.42Å; E165-W469 VanDerWaalsContact OE1-CB 3.26Å; E165-W469 WeakPolarHBondContact OE1-CB 3.22Å; E165-W469 PolarHBondContact OE1-N 2.88Å; E165-K472 IonicContact OE1-NZ 2.68Å; E165-K472 WeakPolarHBondContact OE2-CD 3.35Å; E165-K472 WeakPolarHBondContact OE2-CE 3.09Å; E165-K472 IonicContact OE2-NZ 2.91Å; E165-K472 PolarHBondContact OE2-NZ 2.74Å
166	V	95.4	Very high	92.3	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.1	170.9	-174.9	0	0	0	0	109.8	Y164 F168 A177 P205 H250 Y252 I447 F448 F449	Y164-V166 HydrophobicContact CD2-CG2 3.77Å; Y164-V166 HydrophobicContact CE2-CG2 3.29Å; V166-F168 HydrophobicContact CG1-CD1 4.37Å; V166-F168 HydrophobicContact CG1-CE1 3.89Å; V166-F168 HydrophobicContact CG1-CE2 4.14Å; V166-F168 HydrophobicContact CG1-CZ 3.78Å; V166-A177 HydrophobicContact CG1-CB 3.76Å; V166-A177 HydrophobicContact CG2-CB 4.34Å; V166-P205 HydrophobicContact CG2-CG 4.24Å; V166-H250 PolarHBondContact N-O 2.88Å; V166-H250 PolarHBondContact O-N 3.19Å; V166-Y252 HydrophobicContact CB-CD2 4.2Å; V166-Y252 HydrophobicContact CB-CE2 3.89Å; V166-Y252 HydrophobicContact CG2-CD2 4.03Å; V166-Y252 HydrophobicContact CG2-CE2 4.15Å; V166-I447 HydrophobicContact CG1-CG2 3.9Å; V166-F448 WeakPolarHBondContact CA-O 3.22Å; V166-F449 HydrophobicContact CG2-CD1 4Å; V166-F449 HydrophobicContact CG2-CE1 4.08Å
167	N	93.9	Very high	92.6	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.043	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.2	168.3	-178.2	-52.3	0	0	0	110.6	M123 Q169 K247 K248 T249 F448	M123-N167 HydrophobicContact SD-CB 4.5Å; N167-Q169 PolarHBondContact O-N 2.97Å; N167-Q169 VanDerWaalsContact OD1-CA 3.26Å; N167-Q169 WeakPolarHBondContact OD1-CA 3.4Å; N167-Q169 VanDerWaalsContact OD1-CG 3.25Å; N167-Q169 WeakPolarHBondContact OD1-CG 3.38Å; N167-Q169 PolarHBondContact OD1-N 3.26Å; N167-K247 PolarHBondContact ND2-O 3.15Å; N167-K247 VanDerWaalsContact ND2-O 3.1Å; N167-K247 PolarHBondContact OD1-O 2.89Å; N167-K248 PolarHBondContact ND2-O 2.93Å; N167-T249 HydrophobicContact CB-CG2 4.38Å; N167-T249 WeakPolarHBondContact CB-OG1 3.4Å; N167-T249 PolarHBondContact ND2-N 3.48Å; N167-T249 PolarHBondContact ND2-OG1 3.19Å; N167-F448 HydrophobicContact CB-CB 4.19Å; N167-F448 HydrophobicContact CB-CD1 4.38Å; N167-F448 PolarHBondContact N-O 2.72Å; N167-F448 PolarHBondContact O-N 3.17Å
168	F	93.4	Very high	93	Very high	4 Å²	4	18 Å²	18	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	73.1	173.8	-57.4	-69.9	0	0	0	110.7	V166 S170 G171 I172 A177 P205 F244 I447	V166-F168 HydrophobicContact CG1-CD1 4.37Å; V166-F168 HydrophobicContact CG1-CE1 3.89Å; V166-F168 HydrophobicContact CG1-CE2 4.14Å; V166-F168 HydrophobicContact CG1-CZ 3.78Å; F168-S170 VanDerWaalsContact C-N 3.25Å; F168-S170 PolarHBondContact O-N 2.75Å; F168-S170 VanDerWaalsContact O-N 3.09Å; F168-G171 WeakPolarHBondContact O-CA 3.5Å; F168-G171 PolarHBondContact O-N 3.48Å; F168-I172 HydrophobicContact CB-CB 4.39Å; F168-I172 HydrophobicContact CB-CG2 4.15Å; F168-I172 HydrophobicContact CD1-CB 3.77Å; F168-I172 HydrophobicContact CD1-CD1 3.76Å; F168-I172 HydrophobicContact CD1-CG1 4.39Å; F168-I172 HydrophobicContact CD1-CG2 3.64Å; F168-I172 HydrophobicContact CD2-CG2 3.95Å; F168-I172 HydrophobicContact CE1-CB 4.24Å; F168-I172 HydrophobicContact CE1-CD1 3.46Å; F168-I172 VanDerWaalsContact CE1-CD1 3.46Å; F168-I172 HydrophobicContact CE1-CG1 4.47Å; F168-I172 HydrophobicContact CE1-CG2 3.94Å; F168-I172 HydrophobicContact CE2-CG2 4.21Å; F168-I172 HydrophobicContact CG-CB 4.12Å; F168-I172 HydrophobicContact CG-CG2 3.64Å; F168-I172 HydrophobicContact CZ-CD1 4.29Å; F168-I172 HydrophobicContact CZ-CG2 4.21Å; F168-A177 HydrophobicContact CE1-CB 3.78Å; F168-A177 HydrophobicContact CZ-CB 3.93Å; F168-P205 HydrophobicContact CZ-CB 4.31Å; F168-P205 HydrophobicContact CZ-CG 4.26Å; F168-F244 HydrophobicContact CD2-CD1 4.33Å; F168-F244 AromaticContact CE2-CD1 3.57Å; F168-F244 HydrophobicContact CE2-CD1 3.57Å; F168-F244 HydrophobicContact CE2-CE1 4.06Å; F168-F244 HydrophobicContact CE2-CG 4.16Å; F168-F244 AromaticContact CZ-CD1 3.85Å; F168-F244 HydrophobicContact CZ-CD1 3.85Å; F168-F244 HydrophobicContact CZ-CE1 4.03Å; F168-I447 HydrophobicContact CD1-CD1 4.36Å; F168-I447 HydrophobicContact CD1-CG1 4.15Å; F168-I447 HydrophobicContact CD1-CG2 3.93Å; F168-I447 HydrophobicContact CE1-CD1 4.31Å; F168-I447 HydrophobicContact CE1-CG2 3.96Å
169	Q	89.5	Confident	93.3	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.103	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-38.2	-169.2	-61.2	178.3	77.6	0	0	113.9	K124 N167 D446 F448	K124-Q169 VanDerWaalsContact CG-OE1 3.31Å; N167-Q169 PolarHBondContact O-N 2.97Å; N167-Q169 VanDerWaalsContact OD1-CA 3.26Å; N167-Q169 WeakPolarHBondContact OD1-CA 3.4Å; N167-Q169 VanDerWaalsContact OD1-CG 3.25Å; N167-Q169 WeakPolarHBondContact OD1-CG 3.38Å; N167-Q169 PolarHBondContact OD1-N 3.26Å; Q169-D446 HydrophobicContact CB-CB 4.42Å; Q169-D446 WeakPolarHBondContact CB-O 3.09Å; Q169-D446 WeakPolarHBondContact CG-O 3.48Å; Q169-D446 PolarHBondContact NE2-O 2.7Å; Q169-F448 HydrophobicContact CG-CB 4.37Å
170	S	87.1	Confident	93.4	Very high	55 Å²	55	14 Å²	14	39%	0.385	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.5	179.3	-53.6	0	0	0	0	113.2	K124 F168 S445 D446	K124-S170 PolarHBondContact NZ-OG 2.76Å; F168-S170 VanDerWaalsContact C-N 3.25Å; F168-S170 PolarHBondContact O-N 2.75Å; F168-S170 VanDerWaalsContact O-N 3.09Å; S170-S445 PolarHBondContact OG-O 3.21Å; S170-D446 PolarHBondContact OG-OD2 3.24Å
171	G	86.6	Confident	93.4	Very high	15 Å²	15	14.1 Å²	14.1	16%	0.155	8%	0.083	C	C	.	.			trans	77.5	167.2	-155.8	0	0	0	0	0	112.3	F168	F168-G171 WeakPolarHBondContact O-CA 3.5Å; F168-G171 PolarHBondContact O-N 3.48Å
172	I	89.6	Confident	93.3	Very high	4 Å²	4	14 Å²	14	2%	0.021	8%	0.082	C	C	.	.			trans	-130.6	128	177.4	-175.2	160.6	0	0	0	111.6	F168 G175 K207 F244 I447	F168-I172 HydrophobicContact CB-CB 4.39Å; F168-I172 HydrophobicContact CB-CG2 4.15Å; F168-I172 HydrophobicContact CD1-CB 3.77Å; F168-I172 HydrophobicContact CD1-CD1 3.76Å; F168-I172 HydrophobicContact CD1-CG1 4.39Å; F168-I172 HydrophobicContact CD1-CG2 3.64Å; F168-I172 HydrophobicContact CD2-CG2 3.95Å; F168-I172 HydrophobicContact CE1-CB 4.24Å; F168-I172 HydrophobicContact CE1-CD1 3.46Å; F168-I172 VanDerWaalsContact CE1-CD1 3.46Å; F168-I172 HydrophobicContact CE1-CG1 4.47Å; F168-I172 HydrophobicContact CE1-CG2 3.94Å; F168-I172 HydrophobicContact CE2-CG2 4.21Å; F168-I172 HydrophobicContact CG-CB 4.12Å; F168-I172 HydrophobicContact CG-CG2 3.64Å; F168-I172 HydrophobicContact CZ-CD1 4.29Å; F168-I172 HydrophobicContact CZ-CG2 4.21Å; I172-G175 VanDerWaalsContact CD1-O 3.23Å; I172-G175 WeakPolarHBondContact CD1-O 3.26Å; I172-K207 HydrophobicContact CG2-CD 4.05Å; I172-K207 WeakPolarHBondContact O-CD 3.29Å; I172-K207 WeakPolarHBondContact O-CE 3.39Å; I172-K207 PolarHBondContact O-NZ 3.17Å; I172-F244 HydrophobicContact CG2-CB 4.14Å; I172-F244 HydrophobicContact CG2-CD1 3.88Å; I172-I447 HydrophobicContact CD1-CD1 3.94Å
173	D	90.6	Very high	93.2	Very high	98 Å²	98	14.1 Å²	14.1	52%	0.524	8%	0.083	S	C	.	.	S	Bend	trans	-95.7	-54.5	178.9	-61	-37.4	0	0	0	110.7	G209 T444	D173-G209 PolarHBondContact O-N 3.02Å; D173-T444 HydrophobicContact CB-CG2 4.17Å
174	C	91.8	Very high	93	Very high	30 Å²	30	18.2 Å²	18.2	20%	0.203	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	120.4	172.2	179.7	0	0	0	0	110.4	K207 C208 M443	C174-K207 CarbonylContact C-O 3.55Å; C174-K207 VanDerWaalsContact CA-O 3.23Å; C174-K207 WeakPolarHBondContact CA-O 3.42Å; C174-C208 HydrophobicContact CB-CB 3.92Å; C174-C208 WeakPolarHBondContact CB-SG 3.35Å; C174-C208 WeakPolarHBondContact SG-CB 3.45Å; C174-C208 CovalentContact SG-SG 2.05Å; C174-C208 PolarHBondContact SG-SG 3.09Å; C174-M443 HydrophobicContact CB-CB 4.45Å; C174-M443 HydrophobicContact CB-CG 4.34Å; C174-M443 VanDerWaalsContact O-CB 3.29Å; C174-M443 WeakPolarHBondContact O-CB 3.43Å; C174-M443 PolarHBondContact O-N 2.74Å
175	G	90.6	Very high	92.5	Very high	3 Å²	3	21 Å²	21	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	157.3	177.3	0	0	0	0	0	112.7	I172 K207 W441	I172-G175 VanDerWaalsContact CD1-O 3.23Å; I172-G175 WeakPolarHBondContact CD1-O 3.26Å; G175-K207 PolarHBondContact N-O 2.96Å; G175-K207 PolarHBondContact O-N 3.35Å; G175-K207 VanDerWaalsContact O-N 3.14Å; G175-W441 WeakPolarHBondContact CA-O 3.36Å
176	G	90.2	Very high	91.8	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	153.3	175.1	0	0	0	0	0	112.7	D206 W441	G176-D206 VanDerWaalsContact CA-OD1 3.3Å; G176-D206 WeakPolarHBondContact CA-OD1 3.2Å; G176-D206 PolarHBondContact N-OD1 3.12Å; G176-W441 PolarHBondContact N-O 3.45Å; G176-W441 VanDerWaalsContact N-O 3.11Å
177	A	94.8	Very high	90.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.201	C	C	.	.			trans	-139	39	167.9	0	0	0	0	0	111.4	Y164 V166 F168 P205 I447 F449	Y164-A177 PolarHBondContact OH-O 3.46Å; V166-A177 HydrophobicContact CG1-CB 3.76Å; V166-A177 HydrophobicContact CG2-CB 4.34Å; F168-A177 HydrophobicContact CE1-CB 3.78Å; F168-A177 HydrophobicContact CZ-CB 3.93Å; A177-P205 CarbonylContact C-O 3.38Å; A177-P205 HydrophobicContact CB-CG 4.1Å; A177-P205 PolarHBondContact N-O 3.35Å; A177-I447 HydrophobicContact CB-CG2 4.14Å; A177-F449 HydrophobicContact CB-CE1 3.64Å; A177-F449 HydrophobicContact CB-CZ 3.62Å
178	Y	95.6	Very high	90.6	Very high	35 Å²	35	33.4 Å²	33.4	14%	0.137	21%	0.21	C	C	.	.			trans	-91.8	150.8	178.2	49.6	-101.8	0	0	0	113.8	Y164 K180 M202 F203 D206 H215 E439 L440	Y164-Y178 WeakPolarHBondContact OH-CA 3.24Å; Y178-K180 HydrophobicContact CD2-CG 4.45Å; Y178-M202 HydrophobicContact CD2-CG 3.76Å; Y178-M202 HydrophobicContact CD2-SD 3.62Å; Y178-M202 HydrophobicContact CE2-CG 4.39Å; Y178-M202 HydrophobicContact CE2-SD 3.68Å; Y178-M202 HydrophobicContact CG-CG 4.15Å; Y178-M202 HydrophobicContact CG-SD 4.09Å; Y178-F203 CarbonylContact C-O 3.54Å; Y178-F203 WeakPolarHBondContact CA-O 3.49Å; Y178-F203 WeakPolarHBondContact CB-O 3.46Å; Y178-D206 HydrophobicContact CD1-CB 4.09Å; Y178-D206 HydrophobicContact CE1-CB 4.31Å; Y178-H215 AromaticContact CD1-CD2 3.97Å; Y178-E439 VanDerWaalsContact CE2-O 3.29Å; Y178-E439 WeakPolarHBondContact CE2-O 3.46Å; Y178-L440 HydrophobicContact CD1-CD2 4.26Å; Y178-L440 HydrophobicContact CD2-CD2 3.81Å; Y178-L440 HydrophobicContact CE1-CD2 4.24Å; Y178-L440 HydrophobicContact CE2-CD2 3.74Å; Y178-L440 HydrophobicContact CG-CD2 4.08Å; Y178-L440 WeakPolarHBondContact O-CD2 3.48Å
179	V	96.8	Very high	90.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146.3	168.1	-67.6	0	0	0	0	111.3	Y164 M202 F203 L436 L438 F452	Y164-V179 HydrophobicContact CD1-CG1 4.22Å; Y164-V179 HydrophobicContact CD1-CG2 4.31Å; Y164-V179 HydrophobicContact CD2-CG1 4.33Å; Y164-V179 HydrophobicContact CE1-CG1 4.01Å; Y164-V179 HydrophobicContact CE1-CG2 3.78Å; Y164-V179 HydrophobicContact CE2-CG1 4.09Å; Y164-V179 HydrophobicContact CG-CG1 4.38Å; V179-M202 CarbonylContact O-C 3.59Å; V179-M202 WeakPolarHBondContact O-CA 3.5Å; V179-F203 HydrophobicContact CG2-CB 4.24Å; V179-F203 HydrophobicContact CG2-CD1 4.4Å; V179-F203 VanDerWaalsContact CG2-O 3.3Å; V179-F203 WeakPolarHBondContact CG2-O 3.3Å; V179-F203 PolarHBondContact N-O 2.84Å; V179-F203 PolarHBondContact O-N 2.9Å; V179-L436 HydrophobicContact CB-CD1 4.4Å; V179-L436 HydrophobicContact CG1-CD1 4.17Å; V179-L436 HydrophobicContact CG1-CD2 4.44Å; V179-L436 HydrophobicContact CG1-CG 4.44Å; V179-L438 HydrophobicContact CG1-CD2 3.72Å; V179-F452 HydrophobicContact CG1-CD1 4.16Å; V179-F452 HydrophobicContact CG1-CE1 3.58Å
180	K	96.6	Very high	90.3	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.7	168.3	-61.1	-173.6	-172.1	-173.5	0	109	Y178 L182 F193 Y199 M202 G437 E439	Y178-K180 HydrophobicContact CD2-CG 4.45Å; K180-L182 HydrophobicContact CB-CD2 4.11Å; K180-F193 HydrophobicContact CD-CZ 4.48Å; K180-Y199 HydrophobicContact CD-CD1 4.5Å; K180-M202 HydrophobicContact CD-CE 4.2Å; K180-M202 HydrophobicContact CG-CB 4.38Å; K180-M202 HydrophobicContact CG-CE 4.35Å; K180-M202 HydrophobicContact CG-CG 3.99Å; K180-G437 PolarHBondContact N-O 3.26Å; K180-G437 PolarHBondContact O-N 2.91Å; K180-E439 HydrophobicContact CD-CB 4.39Å; K180-E439 IonicContact NZ-OE2 2.64Å; K180-E439 PolarHBondContact NZ-OE2 2.81Å
181	L	96.3	Very high	90.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.9	171.8	-63.4	-173.8	0	0	0	109.6	L160 I162 Y199 T200 I201 F433 L436 I454	L160-L181 HydrophobicContact CD2-CD1 4.21Å; I162-L181 HydrophobicContact CD1-CD1 3.33Å; I162-L181 HydrophobicContact CD1-CG 4.16Å; I162-L181 HydrophobicContact CG1-CD1 4.2Å; L181-Y199 CarbonylContact O-C 3.58Å; L181-Y199 VanDerWaalsContact O-CA 3.25Å; L181-Y199 WeakPolarHBondContact O-CA 3.09Å; L181-Y199 WeakPolarHBondContact O-CB 3.4Å; L181-T200 PolarHBondContact O-N 2.9Å; L181-I201 HydrophobicContact CB-CB 4.47Å; L181-I201 HydrophobicContact CD1-CB 4.16Å; L181-I201 HydrophobicContact CD1-CD1 4.45Å; L181-I201 HydrophobicContact CG-CB 4.47Å; L181-I201 PolarHBondContact N-O 2.86Å; L181-F433 HydrophobicContact CB-CB 4.17Å; L181-F433 HydrophobicContact CB-CD1 4.39Å; L181-F433 HydrophobicContact CB-CD2 3.83Å; L181-F433 HydrophobicContact CB-CE2 4.27Å; L181-F433 HydrophobicContact CB-CG 3.89Å; L181-F433 HydrophobicContact CD1-CD1 4Å; L181-F433 HydrophobicContact CD1-CD2 3.97Å; L181-F433 HydrophobicContact CD1-CE1 3.64Å; L181-F433 HydrophobicContact CD1-CE2 3.61Å; L181-F433 HydrophobicContact CD1-CG 4.16Å; L181-F433 HydrophobicContact CD1-CZ 3.45Å; L181-F433 VanDerWaalsContact CD1-CZ 3.45Å; L181-F433 HydrophobicContact CD2-CD2 4.01Å; L181-F433 HydrophobicContact CD2-CE2 3.75Å; L181-F433 HydrophobicContact CD2-CZ 4.4Å; L181-F433 HydrophobicContact CG-CD2 4.15Å; L181-F433 HydrophobicContact CG-CE2 4.08Å; L181-F433 HydrophobicContact CG-CZ 4.41Å; L181-L436 HydrophobicContact CD2-CB 4.36Å; L181-L436 HydrophobicContact CD2-CD1 4.32Å; L181-L436 HydrophobicContact CD2-CG 4.48Å; L181-I454 HydrophobicContact CD2-CD1 3.98Å
182	L	95.8	Very high	90.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.9	-171.1	-49.4	-174.9	0	0	0	110.8	K180 L188 L190 F193 T197 F433 S434 A435	K180-L182 HydrophobicContact CB-CD2 4.11Å; L182-L188 HydrophobicContact CB-CD1 4.03Å; L182-L188 HydrophobicContact CB-CD2 4.37Å; L182-L188 HydrophobicContact CD1-CD1 4.29Å; L182-L190 HydrophobicContact CD1-CD2 3.98Å; L182-F193 HydrophobicContact CD1-CD2 4.03Å; L182-F193 HydrophobicContact CD1-CE2 4.06Å; L182-F193 HydrophobicContact CD1-CG 4.41Å; L182-F193 HydrophobicContact CD1-CZ 4.41Å; L182-F193 HydrophobicContact CD2-CD2 4.14Å; L182-F193 HydrophobicContact CD2-CE2 3.44Å; L182-F193 VanDerWaalsContact CD2-CE2 3.44Å; L182-F193 HydrophobicContact CD2-CZ 3.87Å; L182-F193 HydrophobicContact CG-CE2 4.4Å; L182-T197 HydrophobicContact CD2-CG2 4.39Å; L182-F433 VanDerWaalsContact O-CA 3.29Å; L182-F433 WeakPolarHBondContact O-CA 3.33Å; L182-F433 VanDerWaalsContact O-CB 3.25Å; L182-F433 WeakPolarHBondContact O-CB 3.08Å; L182-S434 PolarHBondContact O-N 3.49Å; L182-A435 HydrophobicContact CB-CB 4.2Å; L182-A435 HydrophobicContact CD1-CB 4.14Å; L182-A435 HydrophobicContact CG-CB 4.39Å; L182-A435 PolarHBondContact N-O 3.2Å
183	S	94.6	Very high	90.3	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.4	-174.2	-57.2	0	0	0	0	111.3	T185 A198 Y199 T200 P432	S183-T185 PolarHBondContact O-N 3.21Å; S183-A198 PolarHBondContact N-O 3.16Å; S183-Y199 PolarHBondContact OG-O 3.19Å; S183-T200 PolarHBondContact OG-N 3.5Å; S183-T200 VanDerWaalsContact OG-N 3.15Å; S183-T200 PolarHBondContact OG-OG1 3.14Å; S183-P432 WeakPolarHBondContact CA-O 3.16Å
184	E	91.6	Very high	90.2	Very high	90 Å²	90	37.9 Å²	37.9	42%	0.421	23%	0.225	S	C	.	.			trans	-65.4	105.9	174.3	-174.8	-178.6	-163.6	0	0	108.9	P432	E184-P432 HydrophobicContact CB-CB 4.28Å; E184-P432 HydrophobicContact CB-CG 4.16Å; E184-P432 PolarHBondContact N-O 2.05Å
185	T	86.8	Confident	89.9	Confident	59 Å²	59	39.5 Å²	39.5	36%	0.362	23%	0.231	S	C	.	.			trans	-134.3	146.9	176.7	59	0	0	0	0	109.2	S183 G187 L188	S183-T185 PolarHBondContact O-N 3.21Å; T185-G187 PolarHBondContact O-N 3.27Å; T185-L188 WeakPolarHBondContact O-CB 3.37Å; T185-L188 PolarHBondContact O-N 2.82Å; T185-L188 PolarHBondContact OG1-N 3.33Å
186	P	80.7	Confident	89.7	Confident	154 Å²	154	46.3 Å²	46.3	100%	1	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.7	-178.7	27.9	-35.9	0	0	0	114
187	G	77.1	Confident	89.7	Confident	69 Å²	69	47.4 Å²	47.4	71%	0.711	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	17.6	174.1	0	0	0	0	0	113.9	T185 D189	T185-G187 PolarHBondContact O-N 3.27Å; G187-D189 PolarHBondContact O-N 2.95Å; G187-D189 VanDerWaalsContact O-N 3.12Å
188	L	86.1	Confident	89.6	Confident	44 Å²	44	49 Å²	49	23%	0.23	28%	0.28	C	S	.	.			trans	-69.7	105.1	175.6	-178.7	66.5	0	0	0	110.1	L182 T185 L190 T197 S434 A435	L182-L188 HydrophobicContact CB-CD1 4.03Å; L182-L188 HydrophobicContact CB-CD2 4.37Å; L182-L188 HydrophobicContact CD1-CD1 4.29Å; T185-L188 WeakPolarHBondContact O-CB 3.37Å; T185-L188 PolarHBondContact O-N 2.82Å; T185-L188 PolarHBondContact OG1-N 3.33Å; L188-L190 HydrophobicContact CD1-CD2 4.33Å; L188-L190 HydrophobicContact CD2-CD2 4.28Å; L188-L190 HydrophobicContact CG-CD2 4.14Å; L188-T197 HydrophobicContact CD1-CG2 4.19Å; L188-S434 VanDerWaalsContact CD2-OG 3.26Å; L188-S434 WeakPolarHBondContact CD2-OG 3.23Å; L188-A435 HydrophobicContact CD2-CB 4.33Å
189	D	88.1	Confident	89.6	Confident	86 Å²	86	47.7 Å²	47.7	46%	0.46	28%	0.275	S	S	.	.			trans	-109.5	116.1	171.1	-176.5	6.1	0	0	0	110.1	G187 D191 Q192	G187-D189 PolarHBondContact O-N 2.95Å; G187-D189 VanDerWaalsContact O-N 3.12Å; D189-D191 VanDerWaalsContact C-N 3.29Å; D189-D191 PolarHBondContact O-N 2.61Å; D189-D191 WeakPolarHBondContact OD1-CB 3.32Å; D189-D191 PolarHBondContact OD1-N 3.49Å; D189-Q192 HydrophobicContact CB-CB 4.35Å; D189-Q192 CarbonylContact O-C 3.54Å; D189-Q192 PolarHBondContact O-N 3.29Å; D189-Q192 WeakPolarHBondContact OD2-CG 3.23Å
190	L	88.3	Confident	89.5	Confident	27 Å²	27	47.7 Å²	47.7	14%	0.141	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-71.6	-24.3	-179.8	-58.6	-173.9	0	0	0	112.4	V98 P148 L182 L188 Q192 A435	V98-L190 HydrophobicContact CB-CB 4.02Å; V98-L190 HydrophobicContact CG1-CB 3.94Å; V98-L190 HydrophobicContact CG2-CB 4.28Å; V98-L190 HydrophobicContact CG2-CD1 4.31Å; P148-L190 HydrophobicContact CB-CD1 4.2Å; P148-L190 HydrophobicContact CG-CD1 4.42Å; L182-L190 HydrophobicContact CD1-CD2 3.98Å; L188-L190 HydrophobicContact CD1-CD2 4.33Å; L188-L190 HydrophobicContact CD2-CD2 4.28Å; L188-L190 HydrophobicContact CG-CD2 4.14Å; L190-Q192 PolarHBondContact O-N 2.89Å; L190-A435 HydrophobicContact CD1-CB 4.41Å; L190-A435 HydrophobicContact CD2-CB 3.68Å
191	D	88.2	Confident	89.5	Confident	55 Å²	55	47.2 Å²	47.2	29%	0.294	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-72.5	-15	173.4	-95	-16.5	0	0	0	112.4	V98 K101 D189	V98-D191 WeakPolarHBondContact CG1-OD1 3.14Å; K101-D191 PolarHBondContact N-O 2.79Å; K101-D191 IonicContact NZ-OD1 3.88Å; K101-D191 PolarHBondContact NZ-OD1 3.17Å; K101-D191 IonicContact NZ-OD2 2.72Å; K101-D191 PolarHBondContact NZ-OD2 3.13Å; D189-D191 VanDerWaalsContact C-N 3.29Å; D189-D191 PolarHBondContact O-N 2.61Å; D189-D191 WeakPolarHBondContact OD1-CB 3.32Å; D189-D191 PolarHBondContact OD1-N 3.49Å
192	Q	87.5	Confident	89.5	Confident	92 Å²	92	48 Å²	48	43%	0.43	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-118	33.9	179	-64.3	-59.6	-62.4	0	0	112.6	D189 L190 V194	D189-Q192 HydrophobicContact CB-CB 4.35Å; D189-Q192 CarbonylContact O-C 3.54Å; D189-Q192 PolarHBondContact O-N 3.29Å; D189-Q192 WeakPolarHBondContact OD2-CG 3.23Å; L190-Q192 PolarHBondContact O-N 2.89Å; Q192-V194 PolarHBondContact O-N 3.25Å
193	F	88.8	Confident	89.6	Confident	2 Å²	2	48 Å²	48	1%	0.009	28%	0.277	C	S	.	.			trans	-68.9	123.6	176.9	179.1	-145.2	0	0	0	111.9	S100 A144 K180 L182 T197 E439	S100-F193 WeakPolarHBondContact CB-O 3.41Å; S100-F193 PolarHBondContact OG-N 3.36Å; S100-F193 PolarHBondContact OG-O 2.62Å; A144-F193 HydrophobicContact CB-CD1 4.04Å; K180-F193 HydrophobicContact CD-CZ 4.48Å; L182-F193 HydrophobicContact CD1-CD2 4.03Å; L182-F193 HydrophobicContact CD1-CE2 4.06Å; L182-F193 HydrophobicContact CD1-CG 4.41Å; L182-F193 HydrophobicContact CD1-CZ 4.41Å; L182-F193 HydrophobicContact CD2-CD2 4.14Å; L182-F193 HydrophobicContact CD2-CE2 3.44Å; L182-F193 VanDerWaalsContact CD2-CE2 3.44Å; L182-F193 HydrophobicContact CD2-CZ 3.87Å; L182-F193 HydrophobicContact CG-CE2 4.4Å; F193-T197 HydrophobicContact CD2-CG2 4.03Å; F193-T197 HydrophobicContact CE2-CG2 4.47Å; F193-E439 HydrophobicContact CE1-CB 3.75Å; F193-E439 HydrophobicContact CE2-CB 4.18Å; F193-E439 HydrophobicContact CZ-CB 3.5Å; F193-E439 HydrophobicContact CZ-CG 4.46Å
194	V	88.5	Confident	89.7	Confident	30 Å²	30	47.8 Å²	47.8	18%	0.182	28%	0.275	C	S	.	.			trans	-137.7	167.1	-177.2	-62.6	0	0	0	0	111.7	A102 Y114 Q192 K196 T197	A102-V194 HydrophobicContact CB-CG1 3.25Å; Y114-V194 HydrophobicContact CE2-CB 4.27Å; Y114-V194 HydrophobicContact CE2-CG1 4.04Å; Q192-V194 PolarHBondContact O-N 3.25Å; V194-K196 HydrophobicContact CG2-CB 4.08Å; V194-K196 PolarHBondContact O-N 2.88Å; V194-T197 WeakPolarHBondContact CG2-OG1 3.17Å; V194-T197 PolarHBondContact N-OG1 2.9Å; V194-T197 VanDerWaalsContact O-CB 3.22Å; V194-T197 WeakPolarHBondContact O-CB 3.47Å; V194-T197 PolarHBondContact O-N 3.44Å; V194-T197 PolarHBondContact O-OG1 3.06Å; V194-T197 VanDerWaalsContact O-OG1 3.12Å
195	D	85.3	Confident	89.8	Confident	64 Å²	64	43.5 Å²	43.5	34%	0.342	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-43.3	167.5	57.3	-19	0	0	0	114.3	K113 Y114 T197	K113-D195 IonicContact NZ-OD1 3.6Å; K113-D195 PolarHBondContact NZ-OD1 2.89Å; K113-D195 IonicContact NZ-OD2 3.65Å; K113-D195 PolarHBondContact NZ-OD2 2.85Å; Y114-D195 PolarHBondContact OH-N 3.21Å; D195-T197 VanDerWaalsContact C-N 3.31Å; D195-T197 PolarHBondContact O-N 2.65Å
196	K	86.8	Confident	90.2	Very high	147 Å²	147	42.4 Å²	42.4	64%	0.639	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.4	178.9	-60.7	170.7	-171.8	168.9	0	114.5	D105 V194 A198	D105-K196 IonicContact OD2-NZ 3.26Å; D105-K196 PolarHBondContact OD2-NZ 3.38Å; V194-K196 HydrophobicContact CG2-CB 4.08Å; V194-K196 PolarHBondContact O-N 2.88Å; K196-A198 PolarHBondContact O-N 3.41Å
197	T	90.4	Very high	90.8	Very high	24 Å²	24	35.9 Å²	35.9	15%	0.147	20%	0.203	C	C	.	.	S	Bend	trans	-64.6	133.6	-177.4	-64.2	0	0	0	0	110.2	L182 L188 F193 V194 D195 Y199	L182-T197 HydrophobicContact CD2-CG2 4.39Å; L188-T197 HydrophobicContact CD1-CG2 4.19Å; F193-T197 HydrophobicContact CD2-CG2 4.03Å; F193-T197 HydrophobicContact CE2-CG2 4.47Å; V194-T197 WeakPolarHBondContact CG2-OG1 3.17Å; V194-T197 PolarHBondContact N-OG1 2.9Å; V194-T197 VanDerWaalsContact O-CB 3.22Å; V194-T197 WeakPolarHBondContact O-CB 3.47Å; V194-T197 PolarHBondContact O-N 3.44Å; V194-T197 PolarHBondContact O-OG1 3.06Å; V194-T197 VanDerWaalsContact O-OG1 3.12Å; D195-T197 VanDerWaalsContact C-N 3.31Å; D195-T197 PolarHBondContact O-N 2.65Å; T197-Y199 PolarHBondContact O-N 3.37Å; T197-Y199 VanDerWaalsContact O-N 3.11Å
198	A	92.4	Very high	91.5	Very high	35 Å²	35	36 Å²	36	29%	0.289	19%	0.192	S	C	.	.			trans	-63	115.6	-178.8	0	0	0	0	0	111.4	S183 K196	S183-A198 PolarHBondContact N-O 3.16Å; K196-A198 PolarHBondContact O-N 3.41Å
199	Y	94.9	Very high	91.7	Very high	7 Å²	7	36 Å²	36	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	157.6	172.4	69.7	-85.7	0	0	0	110.7	K180 L181 S183 T197 M202 R219 E230	K180-Y199 HydrophobicContact CD-CD1 4.5Å; L181-Y199 CarbonylContact O-C 3.58Å; L181-Y199 VanDerWaalsContact O-CA 3.25Å; L181-Y199 WeakPolarHBondContact O-CA 3.09Å; L181-Y199 WeakPolarHBondContact O-CB 3.4Å; S183-Y199 PolarHBondContact OG-O 3.19Å; T197-Y199 PolarHBondContact O-N 3.37Å; T197-Y199 VanDerWaalsContact O-N 3.11Å; Y199-M202 HydrophobicContact CD2-CB 4.09Å; Y199-M202 HydrophobicContact CE1-CE 4.03Å; Y199-M202 HydrophobicContact CE2-CB 3.65Å; Y199-M202 HydrophobicContact CE2-CE 3.84Å; Y199-M202 VanDerWaalsContact CZ-CE 3.48Å; Y199-M202 WeakPolarHBondContact OH-CE 3.33Å; Y199-R219 VanDerWaalsContact CE1-CD 3.47Å; Y199-R219 HydrophobicContact CE2-CG 4.03Å; Y199-R219 VanDerWaalsContact O-CD 3.29Å; Y199-R219 WeakPolarHBondContact O-CD 3.43Å; Y199-R219 PolarHBondContact O-NH1 3.44Å; Y199-E230 WeakPolarHBondContact CE1-OE1 3.24Å; Y199-E230 PolarHBondContact OH-OE1 2.96Å; Y199-E230 PolarHBondContact OH-OE2 3.17Å
200	T	95.6	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-48	177.3	-57.1	0	0	0	0	110.7	F155 L181 S183 F218 R219 M430 T431	F155-T200 HydrophobicContact CE2-CG2 3.89Å; F155-T200 HydrophobicContact CZ-CG2 4.13Å; L181-T200 PolarHBondContact O-N 2.9Å; S183-T200 PolarHBondContact OG-N 3.5Å; S183-T200 VanDerWaalsContact OG-N 3.15Å; S183-T200 PolarHBondContact OG-OG1 3.14Å; T200-F218 CarbonylContact O-C 3.47Å; T200-F218 VanDerWaalsContact O-CA 3.27Å; T200-F218 WeakPolarHBondContact O-CA 3.48Å; T200-R219 PolarHBondContact O-N 3.49Å; T200-M430 HydrophobicContact CG2-CB 3.64Å; T200-M430 HydrophobicContact CG2-CG 4.5Å; T200-M430 HydrophobicContact CG2-SD 4.19Å; T200-T431 WeakPolarHBondContact CG2-O 3.39Å; T200-T431 PolarHBondContact OG1-O 3.26Å; T200-T431 PolarHBondContact OG1-OG1 2.79Å
201	I	96.5	Very high	91.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.6	179.8	-66	170.4	0	0	0	108.9	F155 L160 L181 F203 F216 I217 F218 L254 M430	F155-I201 HydrophobicContact CE1-CD1 4.14Å; F155-I201 HydrophobicContact CZ-CD1 3.94Å; L160-I201 HydrophobicContact CD2-CD1 3.67Å; L181-I201 HydrophobicContact CB-CB 4.47Å; L181-I201 HydrophobicContact CD1-CB 4.16Å; L181-I201 HydrophobicContact CD1-CD1 4.45Å; L181-I201 HydrophobicContact CG-CB 4.47Å; L181-I201 PolarHBondContact N-O 2.86Å; I201-F203 HydrophobicContact CG2-CB 4.26Å; I201-F216 HydrophobicContact CG2-CD2 4.17Å; I201-F216 HydrophobicContact CG2-CE2 4.05Å; I201-I217 CarbonylContact C-O 3.56Å; I201-I217 VanDerWaalsContact CA-O 3.3Å; I201-I217 WeakPolarHBondContact CA-O 3.39Å; I201-F218 HydrophobicContact CG1-CB 4.03Å; I201-L254 HydrophobicContact CG2-CD2 3.99Å; I201-M430 HydrophobicContact CD1-SD 4.14Å; I201-M430 HydrophobicContact CG1-SD 4.08Å
202	M	96.6	Very high	92.1	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.7	162.2	-175.9	-176	-34	0	0	108.1	Y178 V179 K180 Y199 I217	Y178-M202 HydrophobicContact CD2-CG 3.76Å; Y178-M202 HydrophobicContact CD2-SD 3.62Å; Y178-M202 HydrophobicContact CE2-CG 4.39Å; Y178-M202 HydrophobicContact CE2-SD 3.68Å; Y178-M202 HydrophobicContact CG-CG 4.15Å; Y178-M202 HydrophobicContact CG-SD 4.09Å; V179-M202 CarbonylContact O-C 3.59Å; V179-M202 WeakPolarHBondContact O-CA 3.5Å; K180-M202 HydrophobicContact CD-CE 4.2Å; K180-M202 HydrophobicContact CG-CB 4.38Å; K180-M202 HydrophobicContact CG-CE 4.35Å; K180-M202 HydrophobicContact CG-CG 3.99Å; Y199-M202 HydrophobicContact CD2-CB 4.09Å; Y199-M202 HydrophobicContact CE1-CE 4.03Å; Y199-M202 HydrophobicContact CE2-CB 3.65Å; Y199-M202 HydrophobicContact CE2-CE 3.84Å; Y199-M202 VanDerWaalsContact CZ-CE 3.48Å; Y199-M202 WeakPolarHBondContact OH-CE 3.33Å; M202-I217 HydrophobicContact CB-CB 4.3Å; M202-I217 HydrophobicContact CE-CD1 4.43Å; M202-I217 PolarHBondContact N-O 2.82Å; M202-I217 PolarHBondContact O-N 2.86Å; M202-I217 HydrophobicContact SD-CD1 4.22Å
203	F	97.2	Very high	92.3	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.5	-176.2	172.8	-118	0	0	0	111.1	Y164 Y178 V179 I201 L214 H215 F216 L254 V264	Y164-F203 AromaticContact CE1-CD1 3.96Å; Y164-F203 HydrophobicContact CE1-CD1 3.96Å; Y164-F203 HydrophobicContact CE1-CE1 4.02Å; Y164-F203 PolarHBondContact OH-O 3.44Å; Y178-F203 CarbonylContact C-O 3.54Å; Y178-F203 WeakPolarHBondContact CA-O 3.49Å; Y178-F203 WeakPolarHBondContact CB-O 3.46Å; V179-F203 HydrophobicContact CG2-CB 4.24Å; V179-F203 HydrophobicContact CG2-CD1 4.4Å; V179-F203 VanDerWaalsContact CG2-O 3.3Å; V179-F203 WeakPolarHBondContact CG2-O 3.3Å; V179-F203 PolarHBondContact N-O 2.84Å; V179-F203 PolarHBondContact O-N 2.9Å; I201-F203 HydrophobicContact CG2-CB 4.26Å; F203-L214 HydrophobicContact CE2-CD1 3.99Å; F203-L214 HydrophobicContact CZ-CD1 4.47Å; F203-H215 CarbonylContact C-O 3.52Å; F203-H215 VanDerWaalsContact CA-O 3.27Å; F203-H215 WeakPolarHBondContact CA-O 3.2Å; F203-H215 WeakPolarHBondContact CD2-O 3.39Å; F203-F216 HydrophobicContact CD2-CB 4.42Å; F203-L254 HydrophobicContact CB-CD2 3.9Å; F203-L254 HydrophobicContact CD1-CB 3.69Å; F203-L254 HydrophobicContact CD1-CD2 4.39Å; F203-L254 HydrophobicContact CD2-CB 3.88Å; F203-L254 HydrophobicContact CD2-CD2 3.99Å; F203-L254 HydrophobicContact CD2-CG 4.35Å; F203-L254 HydrophobicContact CE1-CB 3.65Å; F203-L254 HydrophobicContact CE2-CB 3.87Å; F203-L254 HydrophobicContact CG-CB 3.81Å; F203-L254 HydrophobicContact CG-CD2 3.81Å; F203-L254 HydrophobicContact CG-CG 4.39Å; F203-L254 HydrophobicContact CZ-CB 3.75Å; F203-V264 HydrophobicContact CE2-CG1 3.63Å; F203-V264 HydrophobicContact CE2-CG2 4.45Å; F203-V264 HydrophobicContact CZ-CG1 3.99Å
204	G	95.8	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.4	177.5	166.4	0	0	0	0	0	116.6	Y164 L214 H215	Y164-G204 VanDerWaalsContact OH-CA 3.26Å; Y164-G204 WeakPolarHBondContact OH-CA 3.22Å; G204-L214 VanDerWaalsContact C-CD1 3.42Å; G204-H215 PolarHBondContact N-O 3.01Å; G204-H215 PolarHBondContact O-N 2.7Å
205	P	95.4	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.4	-177.8	28.1	-34.9	0	0	0	112.3	Y164 V166 F168 A177 F244 Y252	Y164-P205 WeakPolarHBondContact OH-CD 3.45Å; V166-P205 HydrophobicContact CG2-CG 4.24Å; F168-P205 HydrophobicContact CZ-CB 4.31Å; F168-P205 HydrophobicContact CZ-CG 4.26Å; A177-P205 CarbonylContact C-O 3.38Å; A177-P205 HydrophobicContact CB-CG 4.1Å; A177-P205 PolarHBondContact N-O 3.35Å; P205-F244 HydrophobicContact CB-CE1 3.6Å; P205-F244 HydrophobicContact CB-CE2 4.43Å; P205-F244 HydrophobicContact CB-CZ 3.45Å; P205-F244 VanDerWaalsContact CB-CZ 3.45Å; P205-Y252 HydrophobicContact CB-CE1 3.84Å; P205-Y252 HydrophobicContact CG-CD1 4.24Å; P205-Y252 HydrophobicContact CG-CD2 4.26Å; P205-Y252 HydrophobicContact CG-CE1 3.79Å; P205-Y252 HydrophobicContact CG-CE2 3.85Å; P205-Y252 HydrophobicContact CG-CG 4.45Å
206	D	94.3	Very high	93.3	Very high	35 Å²	35	38 Å²	38	19%	0.187	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.7	173.1	-176.7	32.5	0	0	0	108.9	G176 Y178 K213 H215	G176-D206 VanDerWaalsContact CA-OD1 3.3Å; G176-D206 WeakPolarHBondContact CA-OD1 3.2Å; G176-D206 PolarHBondContact N-OD1 3.12Å; Y178-D206 HydrophobicContact CD1-CB 4.09Å; Y178-D206 HydrophobicContact CE1-CB 4.31Å; D206-K213 HydrophobicContact CB-CB 4.47Å; D206-K213 PolarHBondContact N-O 3.23Å; D206-K213 WeakPolarHBondContact O-CA 3.35Å; D206-K213 PolarHBondContact O-N 3.43Å; D206-H215 WeakPolarHBondContact CB-CD2 3.45Å; D206-H215 VanDerWaalsContact CB-NE2 3.31Å; D206-H215 WeakPolarHBondContact CB-NE2 3.45Å; D206-H215 IonicContact OD2-CD2 3.66Å; D206-H215 IonicContact OD2-CE1 3.74Å; D206-H215 IonicContact OD2-NE2 3.28Å; D206-H215 PolarHBondContact OD2-NE2 2.92Å
207	K	93.1	Very high	93.8	Very high	17 Å²	17	31.3 Å²	31.3	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.8	178.8	-177.5	-167.3	170.4	-175.2	0	109.3	I172 C174 G175 G209 D211 Y212 F244	I172-K207 HydrophobicContact CG2-CD 4.05Å; I172-K207 WeakPolarHBondContact O-CD 3.29Å; I172-K207 WeakPolarHBondContact O-CE 3.39Å; I172-K207 PolarHBondContact O-NZ 3.17Å; C174-K207 CarbonylContact C-O 3.55Å; C174-K207 VanDerWaalsContact CA-O 3.23Å; C174-K207 WeakPolarHBondContact CA-O 3.42Å; G175-K207 PolarHBondContact N-O 2.96Å; G175-K207 PolarHBondContact O-N 3.35Å; G175-K207 VanDerWaalsContact O-N 3.14Å; K207-G209 WeakPolarHBondContact CE-O 3.5Å; K207-D211 WeakPolarHBondContact CA-O 3.42Å; K207-Y212 HydrophobicContact CD-CD1 3.86Å; K207-Y212 HydrophobicContact CD-CE1 3.53Å; K207-Y212 HydrophobicContact CG-CD1 3.93Å; K207-Y212 HydrophobicContact CG-CE1 4.05Å; K207-Y212 PolarHBondContact NZ-OH 3.36Å; K207-F244 HydrophobicContact CB-CD1 3.72Å; K207-F244 HydrophobicContact CB-CE1 3.75Å; K207-F244 HydrophobicContact CD-CB 4.26Å; K207-F244 HydrophobicContact CD-CD1 4.26Å; K207-F244 HydrophobicContact CD-CG 4.47Å; K207-F244 HydrophobicContact CG-CD1 4.46Å
208	C	92.2	Very high	94	Very high	71 Å²	71	30.2 Å²	30.2	48%	0.48	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	116.2	160.2	-160.8	0	0	0	0	111.3	C174 E210 D211	C174-C208 HydrophobicContact CB-CB 3.92Å; C174-C208 WeakPolarHBondContact CB-SG 3.35Å; C174-C208 WeakPolarHBondContact SG-CB 3.45Å; C174-C208 CovalentContact SG-SG 2.05Å; C174-C208 PolarHBondContact SG-SG 3.09Å; C208-E210 PolarHBondContact O-N 3.09Å; C208-D211 PolarHBondContact N-O 3.45Å; C208-D211 VanDerWaalsContact N-O 3.13Å; C208-D211 PolarHBondContact O-N 3.33Å
209	G	89.5	Confident	94	Very high	44 Å²	44	30.4 Å²	30.4	45%	0.454	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-115.5	-175.7	0	0	0	0	0	111.3	D173 K207	D173-G209 PolarHBondContact O-N 3.02Å; K207-G209 WeakPolarHBondContact CE-O 3.5Å
210	E	90.1	Very high	93.9	Very high	168 Å²	168	30.8 Å²	30.8	79%	0.785	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	-2.1	177.7	-58.6	-164.7	134.7	0	0	113.6	C208 Y212	C208-E210 PolarHBondContact O-N 3.09Å; E210-Y212 WeakPolarHBondContact O-CD2 3.36Å; E210-Y212 VanDerWaalsContact O-CE2 3.26Å; E210-Y212 WeakPolarHBondContact O-CE2 3.1Å; E210-Y212 PolarHBondContact O-N 3.09Å
211	D	90.8	Very high	93.6	Very high	60 Å²	60	36 Å²	36	32%	0.321	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	104.2	175.8	-166.7	13	0	0	0	109.4	K207 C208 K213 K235	K207-D211 WeakPolarHBondContact CA-O 3.42Å; C208-D211 PolarHBondContact N-O 3.45Å; C208-D211 VanDerWaalsContact N-O 3.13Å; C208-D211 PolarHBondContact O-N 3.33Å; D211-K213 WeakPolarHBondContact OD1-CE 3.4Å; D211-K213 IonicContact OD1-NZ 3.64Å; D211-K213 WeakPolarHBondContact OD2-CE 3.28Å; D211-K213 IonicContact OD2-NZ 2.78Å; D211-K213 PolarHBondContact OD2-NZ 3.32Å; D211-K235 IonicContact OD1-NZ 2.8Å; D211-K235 PolarHBondContact OD1-NZ 2.91Å
212	Y	91.8	Very high	93.2	Very high	44 Å²	44	36.9 Å²	36.9	17%	0.173	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119	174	-56.3	-94.1	0	0	0	108.5	K207 E210 R241 F244 T245	K207-Y212 HydrophobicContact CD-CD1 3.86Å; K207-Y212 HydrophobicContact CD-CE1 3.53Å; K207-Y212 HydrophobicContact CG-CD1 3.93Å; K207-Y212 HydrophobicContact CG-CE1 4.05Å; K207-Y212 PolarHBondContact NZ-OH 3.36Å; E210-Y212 WeakPolarHBondContact O-CD2 3.36Å; E210-Y212 VanDerWaalsContact O-CE2 3.26Å; E210-Y212 WeakPolarHBondContact O-CE2 3.1Å; E210-Y212 PolarHBondContact O-N 3.09Å; Y212-R241 HydrophobicContact CE1-CG 4.22Å; Y212-R241 HydrophobicContact CE2-CB 4.46Å; Y212-R241 HydrophobicContact CE2-CG 4.18Å; Y212-F244 HydrophobicContact CD1-CB 3.92Å; Y212-F244 AromaticContact CD1-CD2 3.64Å; Y212-F244 HydrophobicContact CD1-CD2 3.64Å; Y212-F244 HydrophobicContact CD1-CE2 4.22Å; Y212-F244 AromaticContact CD1-CG 3.81Å; Y212-F244 HydrophobicContact CD1-CG 3.81Å; Y212-F244 HydrophobicContact CE1-CB 3.91Å; Y212-F244 HydrophobicContact CE1-CD2 4.45Å; Y212-F244 HydrophobicContact CE1-CG 4.31Å; Y212-T245 HydrophobicContact CE1-CG2 4.5Å
213	K	91.8	Very high	92.7	Very high	69 Å²	69	40.1 Å²	40.1	30%	0.3	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.9	-177.8	-76.8	168.3	169.1	153.4	0	110.7	D206 D211	D206-K213 HydrophobicContact CB-CB 4.47Å; D206-K213 PolarHBondContact N-O 3.23Å; D206-K213 WeakPolarHBondContact O-CA 3.35Å; D206-K213 PolarHBondContact O-N 3.43Å; D211-K213 WeakPolarHBondContact OD1-CE 3.4Å; D211-K213 IonicContact OD1-NZ 3.64Å; D211-K213 WeakPolarHBondContact OD2-CE 3.28Å; D211-K213 IonicContact OD2-NZ 2.78Å; D211-K213 PolarHBondContact OD2-NZ 3.32Å
214	L	94.4	Very high	92.2	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	98.9	164.2	179.6	49.3	0	0	0	106.1	F203 G204 F216 L240 Y252 V264 V266 V271	F203-L214 HydrophobicContact CE2-CD1 3.99Å; F203-L214 HydrophobicContact CZ-CD1 4.47Å; G204-L214 VanDerWaalsContact C-CD1 3.42Å; L214-F216 PolarHBondContact O-N 3.43Å; L214-L240 HydrophobicContact CB-CD1 3.81Å; L214-Y252 HydrophobicContact CD1-CD1 3.83Å; L214-Y252 HydrophobicContact CD1-CE1 4.13Å; L214-V264 HydrophobicContact CD2-CG1 3.53Å; L214-V264 HydrophobicContact CG-CG1 4.12Å; L214-V266 HydrophobicContact CD2-CG2 3.75Å; L214-V271 HydrophobicContact CD2-CG2 3.78Å
215	H	94.9	Very high	91.7	Very high	33 Å²	33	48.5 Å²	48.5	15%	0.153	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.7	-179	-70.2	-59.5	0	0	0	109.2	Y178 F203 G204 D206 I217	Y178-H215 AromaticContact CD1-CD2 3.97Å; F203-H215 CarbonylContact C-O 3.52Å; F203-H215 VanDerWaalsContact CA-O 3.27Å; F203-H215 WeakPolarHBondContact CA-O 3.2Å; F203-H215 WeakPolarHBondContact CD2-O 3.39Å; G204-H215 PolarHBondContact N-O 3.01Å; G204-H215 PolarHBondContact O-N 2.7Å; D206-H215 WeakPolarHBondContact CB-CD2 3.45Å; D206-H215 VanDerWaalsContact CB-NE2 3.31Å; D206-H215 WeakPolarHBondContact CB-NE2 3.45Å; D206-H215 IonicContact OD2-CD2 3.66Å; D206-H215 IonicContact OD2-CE1 3.74Å; D206-H215 IonicContact OD2-NE2 3.28Å; D206-H215 PolarHBondContact OD2-NE2 2.92Å; H215-I217 HydrophobicContact CB-CD1 4.26Å; H215-I217 HydrophobicContact CB-CG1 4.31Å
216	F	95.9	Very high	91.2	Very high	4 Å²	4	50 Å²	50	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	106.9	153	170	-139.7	0	0	0	106.2	I201 F203 L214 A233 L254 V256 F262 L276 M280	I201-F216 HydrophobicContact CG2-CD2 4.17Å; I201-F216 HydrophobicContact CG2-CE2 4.05Å; F203-F216 HydrophobicContact CD2-CB 4.42Å; L214-F216 PolarHBondContact O-N 3.43Å; F216-A233 HydrophobicContact CB-CB 3.93Å; F216-A233 HydrophobicContact CD1-CB 3.77Å; F216-A233 HydrophobicContact CG-CB 4.23Å; F216-A233 WeakPolarHBondContact O-CB 3.47Å; F216-A233 PolarHBondContact O-N 3.01Å; F216-L254 HydrophobicContact CD1-CD1 4.16Å; F216-L254 HydrophobicContact CD2-CD1 4.01Å; F216-L254 HydrophobicContact CD2-CD2 3.57Å; F216-L254 HydrophobicContact CD2-CG 4.49Å; F216-L254 HydrophobicContact CE1-CD1 4.23Å; F216-L254 HydrophobicContact CE2-CD1 4.09Å; F216-L254 HydrophobicContact CE2-CD2 3.61Å; F216-L254 HydrophobicContact CE2-CG 4.48Å; F216-L254 HydrophobicContact CG-CD1 4.06Å; F216-L254 HydrophobicContact CG-CD2 4.37Å; F216-L254 HydrophobicContact CZ-CD1 4.21Å; F216-L254 HydrophobicContact CZ-CD2 4.42Å; F216-V256 HydrophobicContact CE2-CG2 4.3Å; F216-V256 HydrophobicContact CZ-CG2 3.93Å; F216-F262 AromaticContact CD1-CD2 3.68Å; F216-F262 HydrophobicContact CD1-CD2 3.68Å; F216-F262 AromaticContact CD1-CE2 3.86Å; F216-F262 HydrophobicContact CD1-CE2 3.86Å; F216-F262 HydrophobicContact CD1-CG 4.08Å; F216-F262 HydrophobicContact CD1-CZ 4.39Å; F216-F262 HydrophobicContact CE1-CB 3.84Å; F216-F262 AromaticContact CE1-CD1 3.93Å; F216-F262 HydrophobicContact CE1-CD1 3.93Å; F216-F262 AromaticContact CE1-CD2 3.62Å; F216-F262 HydrophobicContact CE1-CD2 3.62Å; F216-F262 HydrophobicContact CE1-CE1 4.38Å; F216-F262 HydrophobicContact CE1-CE2 4.12Å; F216-F262 AromaticContact CE1-CG 3.52Å; F216-F262 HydrophobicContact CE1-CG 3.52Å; F216-F262 HydrophobicContact CE1-CZ 4.47Å; F216-F262 HydrophobicContact CZ-CB 4.45Å; F216-L276 HydrophobicContact CE1-CD2 3.94Å; F216-L276 HydrophobicContact CZ-CD2 3.88Å; F216-M280 HydrophobicContact CD1-CE 3.85Å; F216-M280 HydrophobicContact CE1-CE 3.5Å; F216-M280 VanDerWaalsContact CE1-CE 3.5Å; F216-M280 HydrophobicContact CZ-CE 4.26Å
217	I	95.5	Very high	90.9	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.2	-176.6	-51.3	169.2	0	0	0	106.8	I201 M202 H215 E230 K231 H232	I201-I217 CarbonylContact C-O 3.56Å; I201-I217 VanDerWaalsContact CA-O 3.3Å; I201-I217 WeakPolarHBondContact CA-O 3.39Å; M202-I217 HydrophobicContact CB-CB 4.3Å; M202-I217 HydrophobicContact CE-CD1 4.43Å; M202-I217 PolarHBondContact N-O 2.82Å; M202-I217 PolarHBondContact O-N 2.86Å; M202-I217 HydrophobicContact SD-CD1 4.22Å; H215-I217 HydrophobicContact CB-CD1 4.26Å; H215-I217 HydrophobicContact CB-CG1 4.31Å; I217-E230 HydrophobicContact CG2-CB 4.03Å; I217-E230 HydrophobicContact CG2-CG 4.35Å; I217-K231 WeakPolarHBondContact CA-O 3.42Å; I217-H232 VanDerWaalsContact CD1-CE1 3.48Å; I217-H232 WeakPolarHBondContact CD1-CE1 3.39Å; I217-H232 WeakPolarHBondContact CD1-ND1 3.48Å; I217-H232 WeakPolarHBondContact CG1-ND1 3.38Å
218	F	94.7	Very high	90.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.2	168.2	76.1	-85.5	0	0	0	111.6	T200 I201 H220 K231 L276 M280 V284 P427 M430	T200-F218 CarbonylContact O-C 3.47Å; T200-F218 VanDerWaalsContact O-CA 3.27Å; T200-F218 WeakPolarHBondContact O-CA 3.48Å; I201-F218 HydrophobicContact CG1-CB 4.03Å; F218-H220 HydrophobicContact CD2-CB 4.33Å; F218-H220 HydrophobicContact CE2-CB 3.85Å; F218-K231 HydrophobicContact CD1-CB 4.12Å; F218-K231 HydrophobicContact CE1-CB 3.82Å; F218-K231 HydrophobicContact CE2-CB 4.45Å; F218-K231 HydrophobicContact CE2-CG 4.44Å; F218-K231 HydrophobicContact CZ-CB 4.01Å; F218-K231 HydrophobicContact CZ-CG 4.26Å; F218-K231 PolarHBondContact N-O 2.92Å; F218-K231 PolarHBondContact O-N 2.98Å; F218-L276 HydrophobicContact CD1-CD2 4.25Å; F218-L276 HydrophobicContact CE1-CB 4.28Å; F218-L276 HydrophobicContact CE1-CD2 3.86Å; F218-L276 HydrophobicContact CZ-CB 4.23Å; F218-L276 HydrophobicContact CZ-CD2 4.47Å; F218-M280 HydrophobicContact CD1-CE 4.14Å; F218-M280 HydrophobicContact CD1-SD 4.07Å; F218-M280 HydrophobicContact CE1-CE 3.84Å; F218-M280 HydrophobicContact CE1-CG 3.8Å; F218-M280 HydrophobicContact CE1-SD 3.65Å; F218-V284 HydrophobicContact CE2-CG2 4.45Å; F218-V284 HydrophobicContact CZ-CG2 3.69Å; F218-P427 HydrophobicContact CE2-CB 4.38Å; F218-P427 HydrophobicContact CZ-CB 4.35Å; F218-M430 HydrophobicContact CB-CE 3.91Å; F218-M430 HydrophobicContact CB-SD 3.71Å; F218-M430 HydrophobicContact CD1-CE 4.08Å; F218-M430 HydrophobicContact CD2-CE 3.4Å; F218-M430 VanDerWaalsContact CD2-CE 3.4Å; F218-M430 HydrophobicContact CD2-CG 4.21Å; F218-M430 HydrophobicContact CD2-SD 3.66Å; F218-M430 HydrophobicContact CE1-CE 4.43Å; F218-M430 HydrophobicContact CE2-CE 3.82Å; F218-M430 HydrophobicContact CG-CE 3.53Å; F218-M430 HydrophobicContact CG-SD 3.89Å; F218-M430 HydrophobicContact CZ-CE 4.32Å
219	R	93.3	Very high	90.7	Very high	40 Å²	40	58.7 Å²	58.7	15%	0.151	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	101	-178.3	-74.4	-179.8	67.4	-109.7	7.1	109.8	Y199 T200 Y228 E229 E230	Y199-R219 VanDerWaalsContact CE1-CD 3.47Å; Y199-R219 HydrophobicContact CE2-CG 4.03Å; Y199-R219 VanDerWaalsContact O-CD 3.29Å; Y199-R219 WeakPolarHBondContact O-CD 3.43Å; Y199-R219 PolarHBondContact O-NH1 3.44Å; T200-R219 PolarHBondContact O-N 3.49Å; R219-Y228 HydrophobicContact CB-CD1 4.45Å; R219-E229 WeakPolarHBondContact CA-O 3.46Å; R219-E230 WeakPolarHBondContact CD-OE1 3.19Å; R219-E230 HydrophobicContact CG-CG 3.53Å; R219-E230 IonicContact NE-OE1 2.92Å
220	H	91.7	Very high	90.9	Very high	15 Å²	15	60.5 Å²	60.5	7%	0.069	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.1	176.9	-176.2	66.6	0	0	0	110.1	F218 Y228 E229 K231 F422 D424	F218-H220 HydrophobicContact CD2-CB 4.33Å; F218-H220 HydrophobicContact CE2-CB 3.85Å; H220-Y228 WeakPolarHBondContact O-CA 3.33Å; H220-E229 PolarHBondContact N-O 2.94Å; H220-E229 PolarHBondContact O-N 2.89Å; H220-K231 HydrophobicContact CB-CG 3.88Å; H220-F422 AromaticContact NE2-CE2 3.71Å; H220-F422 AromaticContact NE2-CZ 3.94Å; H220-D424 IonicContact CE1-OD2 2.74Å; H220-D424 PolarHBondContact CE1-OD2 2.91Å; H220-D424 VanDerWaalsContact CE1-OD2 3.31Å
221	K	90.1	Very high	91.1	Very high	108 Å²	108	52.6 Å²	52.6	47%	0.47	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.3	175.3	-171.9	-175.1	179.7	-179.7	0	109.6	G226 Y228	K221-G226 WeakPolarHBondContact CE-O 3.27Å; K221-Y228 HydrophobicContact CB-CD1 3.93Å; K221-Y228 HydrophobicContact CB-CE1 3.65Å; K221-Y228 HydrophobicContact CD-CE1 4.24Å; K221-Y228 HydrophobicContact CG-CD1 4.37Å; K221-Y228 HydrophobicContact CG-CE1 4Å; K221-Y228 HydrophobicContact CG-CE2 4.48Å
222	N	88	Confident	91.2	Very high	20 Å²	20	53.4 Å²	53.4	11%	0.107	26%	0.26	C	S	.	.			trans	-57.2	122.4	176.7	179.3	-39.6	0	0	0	110.1	K224 T225 G226 Q227 F422	N222-K224 VanDerWaalsContact C-N 3.31Å; N222-K224 PolarHBondContact O-N 3.19Å; N222-K224 WeakPolarHBondContact OD1-CA 3.47Å; N222-K224 WeakPolarHBondContact OD1-CB 3.29Å; N222-K224 PolarHBondContact OD1-N 3.22Å; N222-T225 WeakPolarHBondContact CB-OG1 3.46Å; N222-T225 PolarHBondContact ND2-OG1 2.93Å; N222-T225 PolarHBondContact OD1-N 3.16Å; N222-G226 VanDerWaalsContact O-CA 3.24Å; N222-G226 WeakPolarHBondContact O-CA 3.39Å; N222-G226 PolarHBondContact O-N 2.89Å; N222-Q227 PolarHBondContact N-O 2.87Å; N222-F422 HydrophobicContact CB-CE1 4.32Å; N222-F422 WeakPolarHBondContact ND2-CE1 3.44Å
223	P	87.1	Confident	91.3	Very high	86 Å²	86	52.2 Å²	52.2	56%	0.558	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-19.7	-174.3	28.7	-35.1	0	0	0	113.8	F422	P223-F422 VanDerWaalsContact CD-CD2 3.49Å; P223-F422 VanDerWaalsContact CD-CE2 3.46Å; P223-F422 HydrophobicContact CG-CB 4.04Å; P223-F422 HydrophobicContact CG-CD1 4.39Å; P223-F422 HydrophobicContact CG-CD2 3.4Å; P223-F422 VanDerWaalsContact CG-CD2 3.4Å; P223-F422 HydrophobicContact CG-CE2 3.91Å; P223-F422 HydrophobicContact CG-CG 3.68Å
224	K	85.2	Confident	91.3	Very high	114 Å²	114	53.5 Å²	53.5	50%	0.496	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-54.5	174.8	-77.3	-179.3	163.8	-178.7	0	112.1	N222 P419 Y421 F422	N222-K224 VanDerWaalsContact C-N 3.31Å; N222-K224 PolarHBondContact O-N 3.19Å; N222-K224 WeakPolarHBondContact OD1-CA 3.47Å; N222-K224 WeakPolarHBondContact OD1-CB 3.29Å; N222-K224 PolarHBondContact OD1-N 3.22Å; K224-P419 PolarHBondContact NZ-O 2.82Å; K224-Y421 WeakPolarHBondContact CE-O 3.14Å; K224-Y421 PolarHBondContact NZ-O 3.39Å; K224-F422 HydrophobicContact CD-CB 4.27Å; K224-F422 HydrophobicContact CG-CB 4.32Å
225	T	85.1	Confident	91	Very high	62 Å²	62	58.5 Å²	58.5	38%	0.38	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-18.6	-171.2	67.6	0	0	0	0	113.1	N222 Q227	N222-T225 WeakPolarHBondContact CB-OG1 3.46Å; N222-T225 PolarHBondContact ND2-OG1 2.93Å; N222-T225 PolarHBondContact OD1-N 3.16Å; T225-Q227 PolarHBondContact O-N 3.22Å; T225-Q227 PolarHBondContact OG1-N 2.86Å
226	G	85.3	Confident	90.7	Very high	33 Å²	33	57.9 Å²	57.9	34%	0.34	28%	0.284	S	S	.	.			trans	72.1	-0.3	-175.2	0	0	0	0	0	114.8	K221 N222	K221-G226 WeakPolarHBondContact CE-O 3.27Å; N222-G226 VanDerWaalsContact O-CA 3.24Å; N222-G226 WeakPolarHBondContact O-CA 3.39Å; N222-G226 PolarHBondContact O-N 2.89Å
227	Q	89	Confident	90.1	Very high	137 Å²	137	66 Å²	66	64%	0.64	33%	0.328	S	S	*	.			trans	-74.7	152.9	177.8	-61.5	-179.9	2.7	0	0	110.9	N222 T225	N222-Q227 PolarHBondContact N-O 2.87Å; T225-Q227 PolarHBondContact O-N 3.22Å; T225-Q227 PolarHBondContact OG1-N 2.86Å
228	Y	90.1	Very high	89.6	Confident	96 Å²	96	67.7 Å²	67.7	38%	0.376	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.1	174	-70.3	-87.9	0	0	0	110	R219 H220 K221 T431	R219-Y228 HydrophobicContact CB-CD1 4.45Å; H220-Y228 WeakPolarHBondContact O-CA 3.33Å; K221-Y228 HydrophobicContact CB-CD1 3.93Å; K221-Y228 HydrophobicContact CB-CE1 3.65Å; K221-Y228 HydrophobicContact CD-CE1 4.24Å; K221-Y228 HydrophobicContact CG-CD1 4.37Å; K221-Y228 HydrophobicContact CG-CE1 4Å; K221-Y228 HydrophobicContact CG-CE2 4.48Å; Y228-T431 HydrophobicContact CE1-CG2 3.76Å; Y228-T431 WeakPolarHBondContact OH-CG2 3.31Å
229	E	90.8	Very high	89.2	Confident	71 Å²	71	73.3 Å²	73.3	33%	0.332	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139	177.1	-162.3	-167	147.3	0	0	109.2	R219 H220 K231 P282	R219-E229 WeakPolarHBondContact CA-O 3.46Å; H220-E229 PolarHBondContact N-O 2.94Å; H220-E229 PolarHBondContact O-N 2.89Å; E229-K231 VanDerWaalsContact CD-CE 3.45Å; E229-K231 IonicContact OE1-NZ 2.68Å; E229-K231 PolarHBondContact OE1-NZ 2.68Å; E229-K231 WeakPolarHBondContact OE2-CE 3.4Å; E229-K231 IonicContact OE2-NZ 3.67Å; E229-K231 PolarHBondContact OE2-NZ 3.38Å; E229-P282 WeakPolarHBondContact OE1-CB 3.25Å; E229-P282 WeakPolarHBondContact OE1-CG 3.36Å
230	E	93.7	Very high	89	Confident	82 Å²	82	72 Å²	72	38%	0.383	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.9	177.8	-75.3	172.1	-179.1	0	0	109.8	Y199 I217 R219	Y199-E230 WeakPolarHBondContact CE1-OE1 3.24Å; Y199-E230 PolarHBondContact OH-OE1 2.96Å; Y199-E230 PolarHBondContact OH-OE2 3.17Å; I217-E230 HydrophobicContact CG2-CB 4.03Å; I217-E230 HydrophobicContact CG2-CG 4.35Å; R219-E230 WeakPolarHBondContact CD-OE1 3.19Å; R219-E230 HydrophobicContact CG-CG 3.53Å; R219-E230 IonicContact NE-OE1 2.92Å
231	K	93.4	Very high	88.9	Confident	3 Å²	3	77.6 Å²	77.6	1%	0.013	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.9	-178.9	-57.7	-67.8	174.2	-177.9	0	107.6	I217 F218 H220 E229 M280 P282 P283 V284	I217-K231 WeakPolarHBondContact CA-O 3.42Å; F218-K231 HydrophobicContact CD1-CB 4.12Å; F218-K231 HydrophobicContact CE1-CB 3.82Å; F218-K231 HydrophobicContact CE2-CB 4.45Å; F218-K231 HydrophobicContact CE2-CG 4.44Å; F218-K231 HydrophobicContact CZ-CB 4.01Å; F218-K231 HydrophobicContact CZ-CG 4.26Å; F218-K231 PolarHBondContact N-O 2.92Å; F218-K231 PolarHBondContact O-N 2.98Å; H220-K231 HydrophobicContact CB-CG 3.88Å; E229-K231 VanDerWaalsContact CD-CE 3.45Å; E229-K231 IonicContact OE1-NZ 2.68Å; E229-K231 PolarHBondContact OE1-NZ 2.68Å; E229-K231 WeakPolarHBondContact OE2-CE 3.4Å; E229-K231 IonicContact OE2-NZ 3.67Å; E229-K231 PolarHBondContact OE2-NZ 3.38Å; K231-M280 HydrophobicContact CB-CB 4.37Å; K231-M280 HydrophobicContact CB-SD 4.44Å; K231-P282 WeakPolarHBondContact CD-O 3.49Å; K231-P283 PolarHBondContact NZ-O 2.96Å; K231-V284 HydrophobicContact CG-CG2 4.39Å
232	H	94.3	Very high	88.8	Confident	76 Å²	76	75 Å²	75	35%	0.352	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132	-177.1	-60.4	-112	0	0	0	110.1	I217 M280 T281	I217-H232 VanDerWaalsContact CD1-CE1 3.48Å; I217-H232 WeakPolarHBondContact CD1-CE1 3.39Å; I217-H232 WeakPolarHBondContact CD1-ND1 3.48Å; I217-H232 WeakPolarHBondContact CG1-ND1 3.38Å; H232-M280 VanDerWaalsContact C-SD 3.5Å; H232-M280 CarbonylContact O-C 3.59Å; H232-M280 WeakPolarHBondContact O-CA 3.3Å; H232-T281 WeakPolarHBondContact CB-O 3.48Å; H232-T281 PolarHBondContact N-O 3.1Å; H232-T281 PolarHBondContact O-N 3.41Å
233	A	93.6	Very high	88.9	Confident	19 Å²	19	75.9 Å²	75.9	16%	0.157	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	145.7	169.3	0	0	0	0	0	110.6	F216 F262 D279 M280	F216-A233 HydrophobicContact CB-CB 3.93Å; F216-A233 HydrophobicContact CD1-CB 3.77Å; F216-A233 HydrophobicContact CG-CB 4.23Å; F216-A233 WeakPolarHBondContact O-CB 3.47Å; F216-A233 PolarHBondContact O-N 3.01Å; A233-F262 HydrophobicContact CB-CE2 4.34Å; A233-F262 HydrophobicContact CB-CZ 4.17Å; A233-D279 WeakPolarHBondContact CA-O 3.46Å; A233-M280 VanDerWaalsContact CA-SD 3.55Å; A233-M280 HydrophobicContact CB-CE 3.86Å; A233-M280 HydrophobicContact CB-SD 4.12Å; A233-M280 PolarHBondContact N-SD 3.47Å; A233-M280 VanDerWaalsContact N-SD 3.38Å
234	K	91.3	Very high	88.9	Confident	97 Å²	97	72 Å²	72	42%	0.422	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-55.4	144.2	168.1	-68.3	170.8	-172.1	160.4	0	110	N272 K278 D279	K234-N272 PolarHBondContact O-ND2 2.62Å; K234-K278 PolarHBondContact NZ-O 2.92Å; K234-D279 HydrophobicContact CD-CB 4.2Å; K234-D279 PolarHBondContact N-O 3.32Å; K234-D279 IonicContact NZ-OD1 2.74Å; K234-D279 PolarHBondContact NZ-OD1 2.94Å
235	K	88.3	Confident	89	Confident	126 Å²	126	69.8 Å²	69.8	55%	0.548	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-56.9	142.5	174.1	-70.6	-168.5	171.3	-163.3	0	109.7	D211	D211-K235 IonicContact OD1-NZ 2.8Å; D211-K235 PolarHBondContact OD1-NZ 2.91Å
236	P	87.8	Confident	89.1	Confident	19 Å²	19	70 Å²	70	12%	0.123	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-68	149.6	171.6	28.8	-33.5	0	0	0	111.2	A238 L240 V271 N272	P236-A238 VanDerWaalsContact C-N 3.25Å; P236-A238 PolarHBondContact O-N 3.28Å; P236-L240 HydrophobicContact CG-CD1 3.86Å; P236-L240 HydrophobicContact CG-CD2 4.13Å; P236-L240 HydrophobicContact CG-CG 4.16Å; P236-V271 WeakPolarHBondContact CB-O 3.38Å; P236-N272 HydrophobicContact CB-CB 4.05Å
237	D	83	Confident	89.3	Confident	175 Å²	175	74 Å²	74	94%	0.936	36%	0.364	S	S	*	.	S	Bend	trans	-77.2	-11.6	173.7	-59.3	-41.6	0	0	0	112.9
238	A	85.8	Confident	89.3	Confident	42 Å²	42	70.8 Å²	70.8	35%	0.347	35%	0.348	S	S	.	.	S	Bend	trans	-76	139.5	179.6	0	0	0	0	0	112.1	P236 L240 V271	P236-A238 VanDerWaalsContact C-N 3.25Å; P236-A238 PolarHBondContact O-N 3.28Å; A238-L240 PolarHBondContact O-N 2.8Å; A238-L240 VanDerWaalsContact O-N 3.15Å; A238-V271 HydrophobicContact CB-CB 4.27Å; A238-V271 HydrophobicContact CB-CG1 4.47Å
239	D	87.1	Confident	89.4	Confident	118 Å²	118	66.4 Å²	66.4	63%	0.631	33%	0.331	S	S	*	.			trans	-65.2	114.9	172	-177.5	13.3	0	0	0	110.3	R241	D239-R241 WeakPolarHBondContact OD1-CB 3.32Å; D239-R241 PolarHBondContact OD1-N 3.11Å
240	L	88.2	Confident	89.6	Confident	12 Å²	12	63.3 Å²	63.3	6%	0.063	32%	0.317	C	S	.	.			trans	-88.1	-10.7	178.7	-60.4	-178.8	0	0	0	113	L214 P236 A238 S242 Y243 F244	L214-L240 HydrophobicContact CB-CD1 3.81Å; P236-L240 HydrophobicContact CG-CD1 3.86Å; P236-L240 HydrophobicContact CG-CD2 4.13Å; P236-L240 HydrophobicContact CG-CG 4.16Å; A238-L240 PolarHBondContact O-N 2.8Å; A238-L240 VanDerWaalsContact O-N 3.15Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.78Å; L240-Y243 HydrophobicContact CB-CD2 4.41Å; L240-Y243 HydrophobicContact CD2-CD2 4.19Å; L240-Y243 HydrophobicContact CD2-CE2 4.16Å; L240-Y243 WeakPolarHBondContact O-CD2 3.43Å; L240-Y243 PolarHBondContact O-N 3.46Å; L240-F244 HydrophobicContact CB-CE2 4.17Å; L240-F244 WeakPolarHBondContact O-CD2 3.37Å
241	R	89.4	Confident	89.7	Confident	134 Å²	134	59.4 Å²	59.4	51%	0.506	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.8	-35.7	-166.8	-178.9	176.7	179.4	152.4	4.4	114.2	Y212 D239 Y243 F244 T245	Y212-R241 HydrophobicContact CE1-CG 4.22Å; Y212-R241 HydrophobicContact CE2-CB 4.46Å; Y212-R241 HydrophobicContact CE2-CG 4.18Å; D239-R241 WeakPolarHBondContact OD1-CB 3.32Å; D239-R241 PolarHBondContact OD1-N 3.11Å; R241-Y243 PolarHBondContact O-N 2.94Å; R241-F244 PolarHBondContact O-N 3.45Å; R241-T245 HydrophobicContact CG-CG2 4.49Å; R241-T245 WeakPolarHBondContact O-CG2 3.42Å; R241-T245 PolarHBondContact O-OG1 3.26Å
242	S	88.3	Confident	89.9	Confident	53 Å²	53	59.4 Å²	59.4	37%	0.371	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.1	-49.2	178.2	45.9	0	0	0	0	111.6	L240 F244 T245 D246	L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.78Å; S242-F244 PolarHBondContact O-N 2.73Å; S242-T245 PolarHBondContact O-N 2.8Å; S242-T245 PolarHBondContact O-OG1 2.94Å; S242-D246 PolarHBondContact O-N 2.78Å; S242-D246 VanDerWaalsContact O-N 3.08Å
243	Y	89.8	Confident	90	Very high	39 Å²	39	56.2 Å²	56.2	15%	0.153	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.3	-11.5	-173.5	-49.1	-62.2	0	0	0	115.2	L240 R241 H250 V266	L240-Y243 HydrophobicContact CB-CD2 4.41Å; L240-Y243 HydrophobicContact CD2-CD2 4.19Å; L240-Y243 HydrophobicContact CD2-CE2 4.16Å; L240-Y243 WeakPolarHBondContact O-CD2 3.43Å; L240-Y243 PolarHBondContact O-N 3.46Å; R241-Y243 PolarHBondContact O-N 2.94Å; Y243-H250 AromaticContact CD1-CE1 3.72Å; Y243-H250 AromaticContact CD1-CG 3.91Å; Y243-H250 AromaticContact CD1-ND1 3.59Å; Y243-H250 PolarHBondContact O-CD2 3.48Å; Y243-H250 VanDerWaalsContact O-CD2 3.29Å; Y243-V266 HydrophobicContact CD1-CG1 3.75Å; Y243-V266 HydrophobicContact CD2-CG1 4.17Å; Y243-V266 HydrophobicContact CE1-CG1 3.65Å; Y243-V266 HydrophobicContact CE2-CB 4.48Å; Y243-V266 HydrophobicContact CE2-CG1 4.12Å; Y243-V266 HydrophobicContact CG-CG1 4Å
244	F	88.4	Confident	90.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.018	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-109	-6.4	176.9	-65.5	-98.8	0	0	0	113.3	F168 I172 P205 K207 Y212 L240 R241 S242	F168-F244 HydrophobicContact CD2-CD1 4.33Å; F168-F244 AromaticContact CE2-CD1 3.57Å; F168-F244 HydrophobicContact CE2-CD1 3.57Å; F168-F244 HydrophobicContact CE2-CE1 4.06Å; F168-F244 HydrophobicContact CE2-CG 4.16Å; F168-F244 AromaticContact CZ-CD1 3.85Å; F168-F244 HydrophobicContact CZ-CD1 3.85Å; F168-F244 HydrophobicContact CZ-CE1 4.03Å; I172-F244 HydrophobicContact CG2-CB 4.14Å; I172-F244 HydrophobicContact CG2-CD1 3.88Å; P205-F244 HydrophobicContact CB-CE1 3.6Å; P205-F244 HydrophobicContact CB-CE2 4.43Å; P205-F244 HydrophobicContact CB-CZ 3.45Å; P205-F244 VanDerWaalsContact CB-CZ 3.45Å; K207-F244 HydrophobicContact CB-CD1 3.72Å; K207-F244 HydrophobicContact CB-CE1 3.75Å; K207-F244 HydrophobicContact CD-CB 4.26Å; K207-F244 HydrophobicContact CD-CD1 4.26Å; K207-F244 HydrophobicContact CD-CG 4.47Å; K207-F244 HydrophobicContact CG-CD1 4.46Å; Y212-F244 HydrophobicContact CD1-CB 3.92Å; Y212-F244 AromaticContact CD1-CD2 3.64Å; Y212-F244 HydrophobicContact CD1-CD2 3.64Å; Y212-F244 HydrophobicContact CD1-CE2 4.22Å; Y212-F244 AromaticContact CD1-CG 3.81Å; Y212-F244 HydrophobicContact CD1-CG 3.81Å; Y212-F244 HydrophobicContact CE1-CB 3.91Å; Y212-F244 HydrophobicContact CE1-CD2 4.45Å; Y212-F244 HydrophobicContact CE1-CG 4.31Å; L240-F244 HydrophobicContact CB-CE2 4.17Å; L240-F244 WeakPolarHBondContact O-CD2 3.37Å; R241-F244 PolarHBondContact O-N 3.45Å; S242-F244 PolarHBondContact O-N 2.73Å
245	T	87.1	Confident	90.4	Very high	68 Å²	68	50.9 Å²	50.9	42%	0.417	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-23	-167.7	55.7	0	0	0	0	115	Y212 R241 S242 K247	Y212-T245 HydrophobicContact CE1-CG2 4.5Å; R241-T245 HydrophobicContact CG-CG2 4.49Å; R241-T245 WeakPolarHBondContact O-CG2 3.42Å; R241-T245 PolarHBondContact O-OG1 3.26Å; S242-T245 PolarHBondContact O-N 2.8Å; S242-T245 PolarHBondContact O-OG1 2.94Å; T245-K247 VanDerWaalsContact C-N 3.3Å; T245-K247 PolarHBondContact O-N 3.01Å
246	D	87.1	Confident	90.8	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	23%	0.232	S	C	.	.	S	Bend	trans	-77.3	-13.7	179.5	73	-3.3	0	0	0	114.3	S242 K248 H250	S242-D246 PolarHBondContact O-N 2.78Å; S242-D246 VanDerWaalsContact O-N 3.08Å; D246-K248 VanDerWaalsContact C-N 3.27Å; D246-K248 HydrophobicContact CB-CG 4.43Å; D246-K248 PolarHBondContact O-N 3.46Å; D246-K248 PolarHBondContact OD1-N 2.91Å; D246-H250 IonicContact OD1-CE1 3.77Å; D246-H250 IonicContact OD1-NE2 2.7Å; D246-H250 PolarHBondContact OD1-NE2 3.05Å; D246-H250 IonicContact OD2-CE1 3.36Å; D246-H250 PolarHBondContact OD2-CE1 2.86Å; D246-H250 IonicContact OD2-NE2 2.76Å; D246-H250 PolarHBondContact OD2-NE2 3.11Å
247	K	89	Confident	91.1	Very high	117 Å²	117	46 Å²	46	51%	0.509	24%	0.237	S	C	.	.			trans	64.5	23.5	-178.5	-50.7	174.3	179.4	179.9	0	114.2	N167 T245	N167-K247 PolarHBondContact ND2-O 3.15Å; N167-K247 VanDerWaalsContact ND2-O 3.1Å; N167-K247 PolarHBondContact OD1-O 2.89Å; T245-K247 VanDerWaalsContact C-N 3.3Å; T245-K247 PolarHBondContact O-N 3.01Å
248	K	89.8	Confident	91.6	Very high	69 Å²	69	39.5 Å²	39.5	30%	0.3	21%	0.208	S	C	.	.			trans	-92.2	171.3	176.3	-64.1	-174.5	177.6	-177.7	0	111.6	N167 D246 E480	N167-K248 PolarHBondContact ND2-O 2.93Å; D246-K248 VanDerWaalsContact C-N 3.27Å; D246-K248 HydrophobicContact CB-CG 4.43Å; D246-K248 PolarHBondContact O-N 3.46Å; D246-K248 PolarHBondContact OD1-N 2.91Å; K248-E480 IonicContact NZ-OE1 3.66Å; K248-E480 PolarHBondContact NZ-OE1 2.96Å
249	T	91.8	Very high	91.8	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.4	177.7	-54.7	0	0	0	0	109.5	M123 E165 N167 W469	M123-T249 PolarHBondContact SD-OG1 3.02Å; E165-T249 HydrophobicContact CB-CG2 3.95Å; E165-T249 HydrophobicContact CG-CG2 4.38Å; E165-T249 WeakPolarHBondContact OE2-CG2 3.26Å; N167-T249 HydrophobicContact CB-CG2 4.38Å; N167-T249 WeakPolarHBondContact CB-OG1 3.4Å; N167-T249 PolarHBondContact ND2-N 3.48Å; N167-T249 PolarHBondContact ND2-OG1 3.19Å; T249-W469 PolarHBondContact O-NE1 2.83Å
250	H	94.9	Very high	92.1	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.5	179.4	-63.6	-63.3	0	0	0	111.8	E165 V166 Y243 D246 Y252 V266 D267	E165-H250 WeakPolarHBondContact CA-O 3.39Å; V166-H250 PolarHBondContact N-O 2.88Å; V166-H250 PolarHBondContact O-N 3.19Å; Y243-H250 AromaticContact CD1-CE1 3.72Å; Y243-H250 AromaticContact CD1-CG 3.91Å; Y243-H250 AromaticContact CD1-ND1 3.59Å; Y243-H250 PolarHBondContact O-CD2 3.48Å; Y243-H250 VanDerWaalsContact O-CD2 3.29Å; D246-H250 IonicContact OD1-CE1 3.77Å; D246-H250 IonicContact OD1-NE2 2.7Å; D246-H250 PolarHBondContact OD1-NE2 3.05Å; D246-H250 IonicContact OD2-CE1 3.36Å; D246-H250 PolarHBondContact OD2-CE1 2.86Å; D246-H250 IonicContact OD2-NE2 2.76Å; D246-H250 PolarHBondContact OD2-NE2 3.11Å; H250-Y252 HydrophobicContact CB-CD2 4.48Å; H250-Y252 HydrophobicContact CB-CE2 3.7Å; H250-V266 HydrophobicContact CB-CG1 4.42Å; H250-D267 VanDerWaalsContact CA-OD1 3.24Å; H250-D267 WeakPolarHBondContact CA-OD1 3.38Å; H250-D267 WeakPolarHBondContact CB-OD1 3.37Å; H250-D267 IonicContact CE1-OD2 3.68Å; H250-D267 IonicContact CG-OD1 2.62Å; H250-D267 IonicContact ND1-OD1 3.79Å; H250-D267 PolarHBondContact ND1-OD1 3.2Å; H250-D267 IonicContact ND1-OD2 2.78Å; H250-D267 PolarHBondContact ND1-OD2 3.48Å
251	L	96.1	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.9	-179	-173	71.2	0	0	0	109.6	Q163 E165 V266 D267 Q268 A465 W469	Q163-L251 HydrophobicContact CG-CD1 3.51Å; Q163-L251 HydrophobicContact CG-CD2 4.32Å; Q163-L251 HydrophobicContact CG-CG 3.91Å; E165-L251 HydrophobicContact CG-CD1 3.52Å; L251-V266 CarbonylContact O-C 3.54Å; L251-V266 VanDerWaalsContact O-CA 3.29Å; L251-V266 WeakPolarHBondContact O-CA 3.31Å; L251-D267 PolarHBondContact N-OD1 2.93Å; L251-D267 PolarHBondContact O-N 2.88Å; L251-Q268 HydrophobicContact CD2-CG 4.19Å; L251-A465 HydrophobicContact CD2-CB 3.58Å; L251-W469 HydrophobicContact CB-CB 4.48Å; L251-W469 HydrophobicContact CB-CD2 3.87Å; L251-W469 HydrophobicContact CB-CE3 4.49Å; L251-W469 HydrophobicContact CB-CG 3.86Å; L251-W469 HydrophobicContact CB-CZ2 4.45Å; L251-W469 HydrophobicContact CD1-CB 4.12Å; L251-W469 HydrophobicContact CD1-CG 4.36Å; L251-W469 HydrophobicContact CD2-CB 4.29Å; L251-W469 HydrophobicContact CD2-CD2 4.13Å; L251-W469 HydrophobicContact CD2-CE3 4.06Å; L251-W469 HydrophobicContact CD2-CG 4.27Å; L251-W469 HydrophobicContact CG-CG 4.41Å
252	Y	96.8	Very high	92.6	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.8	178.4	-65.5	-91.7	0	0	0	109.7	Q163 Y164 V166 P205 L214 H250 V266	Q163-Y252 WeakPolarHBondContact CA-O 3.25Å; Y164-Y252 PolarHBondContact N-O 3.03Å; Y164-Y252 VanDerWaalsContact N-O 3.09Å; Y164-Y252 PolarHBondContact O-N 2.92Å; V166-Y252 HydrophobicContact CB-CD2 4.2Å; V166-Y252 HydrophobicContact CB-CE2 3.89Å; V166-Y252 HydrophobicContact CG2-CD2 4.03Å; V166-Y252 HydrophobicContact CG2-CE2 4.15Å; P205-Y252 HydrophobicContact CB-CE1 3.84Å; P205-Y252 HydrophobicContact CG-CD1 4.24Å; P205-Y252 HydrophobicContact CG-CD2 4.26Å; P205-Y252 HydrophobicContact CG-CE1 3.79Å; P205-Y252 HydrophobicContact CG-CE2 3.85Å; P205-Y252 HydrophobicContact CG-CG 4.45Å; L214-Y252 HydrophobicContact CD1-CD1 3.83Å; L214-Y252 HydrophobicContact CD1-CE1 4.13Å; H250-Y252 HydrophobicContact CB-CD2 4.48Å; H250-Y252 HydrophobicContact CB-CE2 3.7Å; Y252-V266 HydrophobicContact CD1-CG2 3.84Å; Y252-V266 HydrophobicContact CE1-CG1 4.29Å; Y252-V266 HydrophobicContact CE1-CG2 3.9Å
253	T	97.1	Very high	93	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.1	-179.9	-46.5	0	0	0	0	110.5	V161 I162 Q163 V255 V264 L265	V161-T253 HydrophobicContact CG1-CG2 4.07Å; I162-T253 CarbonylContact O-C 3.59Å; I162-T253 VanDerWaalsContact O-CA 3.31Å; I162-T253 WeakPolarHBondContact O-CA 3.43Å; Q163-T253 HydrophobicContact CB-CG2 4.32Å; Q163-T253 PolarHBondContact OE1-OG1 2.87Å; T253-V255 HydrophobicContact CG2-CG2 4.3Å; T253-V264 WeakPolarHBondContact O-CA 3.49Å; T253-L265 HydrophobicContact CG2-CD1 4.37Å; T253-L265 PolarHBondContact N-O 2.85Å; T253-L265 PolarHBondContact O-N 3.13Å
254	L	97.1	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.2	169.7	173.7	64	0	0	0	109.1	V161 I162 I201 F203 F216 V256 V264	V161-L254 WeakPolarHBondContact CA-O 3.39Å; I162-L254 HydrophobicContact CD1-CD2 4.24Å; I162-L254 PolarHBondContact N-O 2.88Å; I162-L254 PolarHBondContact O-N 2.86Å; I201-L254 HydrophobicContact CG2-CD2 3.99Å; F203-L254 HydrophobicContact CB-CD2 3.9Å; F203-L254 HydrophobicContact CD1-CB 3.69Å; F203-L254 HydrophobicContact CD1-CD2 4.39Å; F203-L254 HydrophobicContact CD2-CB 3.88Å; F203-L254 HydrophobicContact CD2-CD2 3.99Å; F203-L254 HydrophobicContact CD2-CG 4.35Å; F203-L254 HydrophobicContact CE1-CB 3.65Å; F203-L254 HydrophobicContact CE2-CB 3.87Å; F203-L254 HydrophobicContact CG-CB 3.81Å; F203-L254 HydrophobicContact CG-CD2 3.81Å; F203-L254 HydrophobicContact CG-CG 4.39Å; F203-L254 HydrophobicContact CZ-CB 3.75Å; F216-L254 HydrophobicContact CD1-CD1 4.16Å; F216-L254 HydrophobicContact CD2-CD1 4.01Å; F216-L254 HydrophobicContact CD2-CD2 3.57Å; F216-L254 HydrophobicContact CD2-CG 4.49Å; F216-L254 HydrophobicContact CE1-CD1 4.23Å; F216-L254 HydrophobicContact CE2-CD1 4.09Å; F216-L254 HydrophobicContact CE2-CD2 3.61Å; F216-L254 HydrophobicContact CE2-CG 4.48Å; F216-L254 HydrophobicContact CG-CD1 4.06Å; F216-L254 HydrophobicContact CG-CD2 4.37Å; F216-L254 HydrophobicContact CZ-CD1 4.21Å; F216-L254 HydrophobicContact CZ-CD2 4.42Å; L254-V256 HydrophobicContact CD1-CG2 3.94Å; L254-V256 HydrophobicContact CD2-CG2 4.09Å; L254-V256 HydrophobicContact CG-CG2 3.86Å; L254-V264 HydrophobicContact CD1-CG2 3.94Å
255	V	96.6	Very high	93.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.3	171.7	-178.3	0	0	0	0	108.1	L160 V161 T253 F262 E263 L265	L160-V255 CarbonylContact O-C 3.52Å; L160-V255 WeakPolarHBondContact O-CA 3.22Å; V161-V255 HydrophobicContact CG1-CG2 4.22Å; V161-V255 HydrophobicContact CG2-CG1 4.35Å; V161-V255 HydrophobicContact CG2-CG2 4.28Å; T253-V255 HydrophobicContact CG2-CG2 4.3Å; V255-F262 CarbonylContact O-C 3.48Å; V255-F262 VanDerWaalsContact O-CA 3.25Å; V255-F262 WeakPolarHBondContact O-CA 3.16Å; V255-E263 HydrophobicContact CB-CB 4.34Å; V255-E263 PolarHBondContact N-O 2.88Å; V255-E263 PolarHBondContact O-N 3.29Å; V255-L265 HydrophobicContact CG2-CD1 3.98Å
256	V	95.8	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.8	173.7	-167.3	0	0	0	0	108.9	P159 L160 F216 L254 L276 F428	P159-V256 CarbonylContact C-O 3.37Å; P159-V256 VanDerWaalsContact CA-O 3.28Å; P159-V256 WeakPolarHBondContact CA-O 3.41Å; P159-V256 WeakPolarHBondContact CB-O 3.25Å; L160-V256 HydrophobicContact CB-CB 4.48Å; L160-V256 PolarHBondContact N-O 3.41Å; L160-V256 PolarHBondContact O-N 2.95Å; F216-V256 HydrophobicContact CE2-CG2 4.3Å; F216-V256 HydrophobicContact CZ-CG2 3.93Å; L254-V256 HydrophobicContact CD1-CG2 3.94Å; L254-V256 HydrophobicContact CD2-CG2 4.09Å; L254-V256 HydrophobicContact CG-CG2 3.86Å; V256-L276 HydrophobicContact CG1-CD1 4.18Å; V256-L276 HydrophobicContact CG1-CD2 4.43Å; V256-F428 HydrophobicContact CB-CE2 4.37Å; V256-F428 HydrophobicContact CG1-CD2 3.85Å; V256-F428 HydrophobicContact CG1-CE2 3.97Å
257	N	94.4	Very high	94.3	Very high	41 Å²	41	25 Å²	25	22%	0.219	13%	0.131	C	C	.	.			trans	-98.2	153.1	-174.4	-66.1	-48.8	0	0	0	112.2	D259 N260 S261 F428	N257-D259 WeakPolarHBondContact CB-OD1 3.32Å; N257-D259 PolarHBondContact O-N 2.82Å; N257-D259 VanDerWaalsContact O-N 3.11Å; N257-N260 PolarHBondContact O-N 2.87Å; N257-S261 WeakPolarHBondContact CB-OG 3.37Å; N257-S261 PolarHBondContact N-O 2.85Å; N257-S261 PolarHBondContact ND2-OG 2.87Å; N257-F428 WeakPolarHBondContact O-CD2 3.31Å
258	A	92.4	Very high	94.4	Very high	39 Å²	39	23.8 Å²	23.8	32%	0.322	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.1	-178.4	0	0	0	0	0	114.8	S157 N260 F428	S157-A258 WeakPolarHBondContact O-CB 3.15Å; A258-N260 VanDerWaalsContact C-N 3.26Å; A258-F428 HydrophobicContact CB-CD1 4.03Å; A258-F428 HydrophobicContact CB-CE1 3.9Å; A258-F428 HydrophobicContact CB-CZ 4.32Å
259	D	91.3	Very high	94.5	Very high	103 Å²	103	24.6 Å²	24.6	55%	0.551	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	7.4	171.1	68.1	-11.4	0	0	0	113.3	N257 S261	N257-D259 WeakPolarHBondContact CB-OD1 3.32Å; N257-D259 PolarHBondContact O-N 2.82Å; N257-D259 VanDerWaalsContact O-N 3.11Å; D259-S261 VanDerWaalsContact C-N 3.26Å; D259-S261 PolarHBondContact O-N 3.21Å; D259-S261 VanDerWaalsContact OD1-CB 3.26Å; D259-S261 WeakPolarHBondContact OD1-CB 3.42Å; D259-S261 PolarHBondContact OD1-N 2.89Å; D259-S261 PolarHBondContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.14Å
260	N	92.2	Very high	94.6	Very high	14 Å²	14	27.7 Å²	27.7	8%	0.075	16%	0.157	C	C	.	.	S	Bend	trans	67.5	14	-171	-42.8	-68.1	0	0	0	114.7	N257 A258 N275 L276 L425 P427 F428	N257-N260 PolarHBondContact O-N 2.87Å; A258-N260 VanDerWaalsContact C-N 3.26Å; N260-N275 CarbonylContact O-C 3.55Å; N260-N275 WeakPolarHBondContact O-CA 3.39Å; N260-N275 VanDerWaalsContact O-CG 3.24Å; N260-N275 PolarHBondContact O-ND2 3.08Å; N260-L276 HydrophobicContact CB-CB 4.21Å; N260-L276 HydrophobicContact CB-CD1 4.19Å; N260-L276 HydrophobicContact CB-CG 4.29Å; N260-L276 WeakPolarHBondContact O-CG 3.39Å; N260-L276 PolarHBondContact O-N 2.94Å; N260-L425 PolarHBondContact ND2-O 2.74Å; N260-P427 HydrophobicContact CB-CG 4.31Å; N260-P427 VanDerWaalsContact OD1-CD 3.23Å; N260-P427 WeakPolarHBondContact OD1-CD 3.38Å; N260-P427 WeakPolarHBondContact OD1-CG 3.43Å; N260-F428 VanDerWaalsContact OD1-CB 3.3Å; N260-F428 WeakPolarHBondContact OD1-CB 3.34Å; N260-F428 PolarHBondContact OD1-N 2.85Å
261	S	94.4	Very high	94.6	Very high	27 Å²	27	28.2 Å²	28.2	19%	0.189	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	152.7	167.4	73.1	0	0	0	0	111	N257 D259 G274	N257-S261 WeakPolarHBondContact CB-OG 3.37Å; N257-S261 PolarHBondContact N-O 2.85Å; N257-S261 PolarHBondContact ND2-OG 2.87Å; D259-S261 VanDerWaalsContact C-N 3.26Å; D259-S261 PolarHBondContact O-N 3.21Å; D259-S261 VanDerWaalsContact OD1-CB 3.26Å; D259-S261 WeakPolarHBondContact OD1-CB 3.42Å; D259-S261 PolarHBondContact OD1-N 2.89Å; D259-S261 PolarHBondContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.14Å; S261-G274 WeakPolarHBondContact CA-O 3.25Å
262	F	95.1	Very high	94.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.3	171.1	70.7	-89.8	0	0	0	110.8	F216 A233 V255 V264 S273 G274 L276 D279 M280	F216-F262 AromaticContact CD1-CD2 3.68Å; F216-F262 HydrophobicContact CD1-CD2 3.68Å; F216-F262 AromaticContact CD1-CE2 3.86Å; F216-F262 HydrophobicContact CD1-CE2 3.86Å; F216-F262 HydrophobicContact CD1-CG 4.08Å; F216-F262 HydrophobicContact CD1-CZ 4.39Å; F216-F262 HydrophobicContact CE1-CB 3.84Å; F216-F262 AromaticContact CE1-CD1 3.93Å; F216-F262 HydrophobicContact CE1-CD1 3.93Å; F216-F262 AromaticContact CE1-CD2 3.62Å; F216-F262 HydrophobicContact CE1-CD2 3.62Å; F216-F262 HydrophobicContact CE1-CE1 4.38Å; F216-F262 HydrophobicContact CE1-CE2 4.12Å; F216-F262 AromaticContact CE1-CG 3.52Å; F216-F262 HydrophobicContact CE1-CG 3.52Å; F216-F262 HydrophobicContact CE1-CZ 4.47Å; F216-F262 HydrophobicContact CZ-CB 4.45Å; A233-F262 HydrophobicContact CB-CE2 4.34Å; A233-F262 HydrophobicContact CB-CZ 4.17Å; V255-F262 CarbonylContact O-C 3.48Å; V255-F262 VanDerWaalsContact O-CA 3.25Å; V255-F262 WeakPolarHBondContact O-CA 3.16Å; F262-V264 HydrophobicContact CD2-CG2 4.24Å; F262-V264 HydrophobicContact CE2-CG2 4.48Å; F262-S273 WeakPolarHBondContact O-CA 3.46Å; F262-G274 WeakPolarHBondContact CD1-O 3.49Å; F262-G274 VanDerWaalsContact CE1-C 3.41Å; F262-G274 PolarHBondContact N-O 2.84Å; F262-G274 PolarHBondContact O-N 2.82Å; F262-L276 HydrophobicContact CB-CD2 4.49Å; F262-L276 HydrophobicContact CD1-CD2 3.9Å; F262-D279 HydrophobicContact CE1-CB 4.2Å; F262-D279 HydrophobicContact CZ-CB 4.29Å; F262-M280 HydrophobicContact CD1-CE 4.08Å; F262-M280 HydrophobicContact CE1-CE 3.63Å; F262-M280 HydrophobicContact CZ-CE 4.03Å
263	E	95.3	Very high	94.3	Very high	52 Å²	52	32.9 Å²	32.9	24%	0.243	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133	172.5	-64.3	177.1	-172.1	0	0	108.3	V255 L265 R458	V255-E263 HydrophobicContact CB-CB 4.34Å; V255-E263 PolarHBondContact N-O 2.88Å; V255-E263 PolarHBondContact O-N 3.29Å; E263-L265 HydrophobicContact CB-CD1 4.13Å; E263-R458 IonicContact OE1-NH1 2.58Å; E263-R458 IonicContact OE2-CZ 2.85Å; E263-R458 IonicContact OE2-NH1 2.72Å; E263-R458 PolarHBondContact OE2-NH1 3.33Å; E263-R458 IonicContact OE2-NH2 3.16Å
264	V	96.1	Very high	94.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.4	169.9	-174.8	0	0	0	0	107.6	F203 L214 T253 L254 F262 V271 N272	F203-V264 HydrophobicContact CE2-CG1 3.63Å; F203-V264 HydrophobicContact CE2-CG2 4.45Å; F203-V264 HydrophobicContact CZ-CG1 3.99Å; L214-V264 HydrophobicContact CD2-CG1 3.53Å; L214-V264 HydrophobicContact CG-CG1 4.12Å; T253-V264 WeakPolarHBondContact O-CA 3.49Å; L254-V264 HydrophobicContact CD1-CG2 3.94Å; F262-V264 HydrophobicContact CD2-CG2 4.24Å; F262-V264 HydrophobicContact CE2-CG2 4.48Å; V264-V271 HydrophobicContact CB-CG2 4.35Å; V264-V271 HydrophobicContact CG1-CG2 4.06Å; V264-V271 WeakPolarHBondContact O-CG2 3.26Å; V264-V271 PolarHBondContact O-N 2.97Å; V264-N272 HydrophobicContact CB-CB 3.88Å; V264-N272 HydrophobicContact CG2-CB 4.08Å; V264-N272 PolarHBondContact N-O 2.91Å; V264-N272 PolarHBondContact O-N 2.95Å
265	L	95.1	Very high	93.9	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.6	177.8	-50.3	89.8	0	0	0	109.5	T253 V255 E263 T269 V270	T253-L265 HydrophobicContact CG2-CD1 4.37Å; T253-L265 PolarHBondContact N-O 2.85Å; T253-L265 PolarHBondContact O-N 3.13Å; V255-L265 HydrophobicContact CG2-CD1 3.98Å; E263-L265 HydrophobicContact CB-CD1 4.13Å; L265-T269 CarbonylContact C-O 3.6Å; L265-T269 WeakPolarHBondContact CA-O 3.36Å; L265-V270 HydrophobicContact CD2-CG2 3.8Å; L265-V270 HydrophobicContact CG-CG2 3.98Å
266	V	95.2	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130	165.8	-179.9	0	0	0	0	106.6	L214 Y243 H250 L251 Y252 Q268 T269 V271	L214-V266 HydrophobicContact CD2-CG2 3.75Å; Y243-V266 HydrophobicContact CD1-CG1 3.75Å; Y243-V266 HydrophobicContact CD2-CG1 4.17Å; Y243-V266 HydrophobicContact CE1-CG1 3.65Å; Y243-V266 HydrophobicContact CE2-CB 4.48Å; Y243-V266 HydrophobicContact CE2-CG1 4.12Å; Y243-V266 HydrophobicContact CG-CG1 4Å; H250-V266 HydrophobicContact CB-CG1 4.42Å; L251-V266 CarbonylContact O-C 3.54Å; L251-V266 VanDerWaalsContact O-CA 3.29Å; L251-V266 WeakPolarHBondContact O-CA 3.31Å; Y252-V266 HydrophobicContact CD1-CG2 3.84Å; Y252-V266 HydrophobicContact CE1-CG1 4.29Å; Y252-V266 HydrophobicContact CE1-CG2 3.9Å; V266-Q268 PolarHBondContact O-N 3.02Å; V266-T269 PolarHBondContact N-O 3.36Å; V266-T269 WeakPolarHBondContact O-CA 3.24Å; V266-T269 WeakPolarHBondContact O-CB 3.4Å; V266-T269 PolarHBondContact O-N 3.26Å; V266-T269 VanDerWaalsContact O-O 3.12Å; V266-V271 HydrophobicContact CB-CG1 3.96Å; V266-V271 HydrophobicContact CB-CG2 4.43Å; V266-V271 HydrophobicContact CG2-CG1 4.11Å; V266-V271 HydrophobicContact CG2-CG2 3.75Å
267	D	93.3	Very high	93.3	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.128	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	38.6	-179.6	-69.8	5.5	0	0	0	113.1	H250 L251 T269 W469 K473	H250-D267 VanDerWaalsContact CA-OD1 3.24Å; H250-D267 WeakPolarHBondContact CA-OD1 3.38Å; H250-D267 WeakPolarHBondContact CB-OD1 3.37Å; H250-D267 IonicContact CE1-OD2 3.68Å; H250-D267 IonicContact CG-OD1 2.62Å; H250-D267 IonicContact ND1-OD1 3.79Å; H250-D267 PolarHBondContact ND1-OD1 3.2Å; H250-D267 IonicContact ND1-OD2 2.78Å; H250-D267 PolarHBondContact ND1-OD2 3.48Å; L251-D267 PolarHBondContact N-OD1 2.93Å; L251-D267 PolarHBondContact O-N 2.88Å; D267-T269 PolarHBondContact O-N 3.18Å; D267-T269 VanDerWaalsContact O-N 3.16Å; D267-W469 VanDerWaalsContact CA-CH2 3.47Å; D267-W469 HydrophobicContact CB-CH2 3.57Å; D267-W469 HydrophobicContact CB-CZ2 3.47Å; D267-W469 VanDerWaalsContact CB-CZ2 3.47Å; D267-W469 WeakPolarHBondContact O-CH2 3.5Å; D267-W469 WeakPolarHBondContact OD1-CZ2 3.41Å; D267-K473 IonicContact OD2-NZ 3.61Å
268	Q	91.3	Very high	92.9	Very high	90 Å²	90	43.1 Å²	43.1	42%	0.421	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	7.9	-172.3	-52.5	179.4	28.4	0	0	115.3	L251 V266 W469	L251-Q268 HydrophobicContact CD2-CG 4.19Å; V266-Q268 PolarHBondContact O-N 3.02Å; Q268-W469 HydrophobicContact CG-CZ3 3.99Å
269	T	92.3	Very high	92.8	Very high	86 Å²	86	43.3 Å²	43.3	53%	0.528	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.7	175.6	-54.9	0	0	0	0	109.7	L265 V266 D267 V271	L265-T269 CarbonylContact C-O 3.6Å; L265-T269 WeakPolarHBondContact CA-O 3.36Å; V266-T269 PolarHBondContact N-O 3.36Å; V266-T269 WeakPolarHBondContact O-CA 3.24Å; V266-T269 WeakPolarHBondContact O-CB 3.4Å; V266-T269 PolarHBondContact O-N 3.26Å; V266-T269 VanDerWaalsContact O-O 3.12Å; D267-T269 PolarHBondContact O-N 3.18Å; D267-T269 VanDerWaalsContact O-N 3.16Å; T269-V271 PolarHBondContact O-N 3.29Å
270	V	94.4	Very high	92.7	Very high	70 Å²	70	38.6 Å²	38.6	42%	0.424	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	115.3	177.4	-175.8	0	0	0	0	109.3	L265 N272	L265-V270 HydrophobicContact CD2-CG2 3.8Å; L265-V270 HydrophobicContact CG-CG2 3.98Å; V270-N272 WeakPolarHBondContact CG1-O 3.39Å
271	V	93.8	Very high	92.6	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.097	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-24.8	176.6	-62.8	0	0	0	0	112.6	L214 P236 A238 V264 V266 T269	L214-V271 HydrophobicContact CD2-CG2 3.78Å; P236-V271 WeakPolarHBondContact CB-O 3.38Å; A238-V271 HydrophobicContact CB-CB 4.27Å; A238-V271 HydrophobicContact CB-CG1 4.47Å; V264-V271 HydrophobicContact CB-CG2 4.35Å; V264-V271 HydrophobicContact CG1-CG2 4.06Å; V264-V271 WeakPolarHBondContact O-CG2 3.26Å; V264-V271 PolarHBondContact O-N 2.97Å; V266-V271 HydrophobicContact CB-CG1 3.96Å; V266-V271 HydrophobicContact CB-CG2 4.43Å; V266-V271 HydrophobicContact CG2-CG1 4.11Å; V266-V271 HydrophobicContact CG2-CG2 3.75Å; T269-V271 PolarHBondContact O-N 3.29Å
272	N	93.4	Very high	92.4	Very high	23 Å²	23	43.1 Å²	43.1	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.8	175.3	-154.6	-18.9	0	0	0	109.7	K234 P236 V264 V270	K234-N272 PolarHBondContact O-ND2 2.62Å; P236-N272 HydrophobicContact CB-CB 4.05Å; V264-N272 HydrophobicContact CB-CB 3.88Å; V264-N272 HydrophobicContact CG2-CB 4.08Å; V264-N272 PolarHBondContact N-O 2.91Å; V264-N272 PolarHBondContact O-N 2.95Å; V270-N272 WeakPolarHBondContact CG1-O 3.39Å
273	S	93.9	Very high	92.1	Very high	79 Å²	79	46 Å²	46	55%	0.552	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.6	138.3	173.5	61.9	0	0	0	0	109.7	F262	F262-S273 WeakPolarHBondContact O-CA 3.46Å
274	G	92.3	Very high	91.7	Very high	17 Å²	17	43.6 Å²	43.6	18%	0.175	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	-165.9	-178.7	0	0	0	0	0	113.5	S261 F262 D279	S261-G274 WeakPolarHBondContact CA-O 3.25Å; F262-G274 WeakPolarHBondContact CD1-O 3.49Å; F262-G274 VanDerWaalsContact CE1-C 3.41Å; F262-G274 PolarHBondContact N-O 2.84Å; F262-G274 PolarHBondContact O-N 2.82Å; G274-D279 WeakPolarHBondContact CA-OD2 3.25Å
275	N	93.1	Very high	91.3	Very high	42 Å²	42	45.2 Å²	45.2	23%	0.225	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.7	174.6	-167.5	-78.7	0	0	0	111.4	N260 L277 K278 D279	N260-N275 CarbonylContact O-C 3.55Å; N260-N275 WeakPolarHBondContact O-CA 3.39Å; N260-N275 VanDerWaalsContact O-CG 3.24Å; N260-N275 PolarHBondContact O-ND2 3.08Å; N275-L277 PolarHBondContact O-N 2.96Å; N275-L277 WeakPolarHBondContact OD1-CB 3.23Å; N275-L277 PolarHBondContact OD1-N 3.35Å; N275-K278 PolarHBondContact O-N 3.01Å; N275-D279 PolarHBondContact N-OD2 3.46Å; N275-D279 PolarHBondContact O-N 3.22Å
276	L	90.2	Very high	90.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.2	-178.6	-56.1	177	0	0	0	113	F216 F218 V256 N260 F262 M280 V284 P427 F428 M430	F216-L276 HydrophobicContact CE1-CD2 3.94Å; F216-L276 HydrophobicContact CZ-CD2 3.88Å; F218-L276 HydrophobicContact CD1-CD2 4.25Å; F218-L276 HydrophobicContact CE1-CB 4.28Å; F218-L276 HydrophobicContact CE1-CD2 3.86Å; F218-L276 HydrophobicContact CZ-CB 4.23Å; F218-L276 HydrophobicContact CZ-CD2 4.47Å; V256-L276 HydrophobicContact CG1-CD1 4.18Å; V256-L276 HydrophobicContact CG1-CD2 4.43Å; N260-L276 HydrophobicContact CB-CB 4.21Å; N260-L276 HydrophobicContact CB-CD1 4.19Å; N260-L276 HydrophobicContact CB-CG 4.29Å; N260-L276 WeakPolarHBondContact O-CG 3.39Å; N260-L276 PolarHBondContact O-N 2.94Å; F262-L276 HydrophobicContact CB-CD2 4.49Å; F262-L276 HydrophobicContact CD1-CD2 3.9Å; L276-M280 HydrophobicContact CD2-CE 3.73Å; L276-M280 WeakPolarHBondContact O-CG 3.44Å; L276-V284 WeakPolarHBondContact O-CG2 3.21Å; L276-P427 HydrophobicContact CB-CB 4.35Å; L276-P427 HydrophobicContact CB-CG 3.87Å; L276-P427 HydrophobicContact CD1-CB 4.48Å; L276-P427 HydrophobicContact CD1-CG 4.36Å; L276-F428 HydrophobicContact CD1-CB 4.43Å; L276-M430 HydrophobicContact CD1-CE 3.71Å; L276-M430 HydrophobicContact CD2-CE 4.42Å
277	L	88.9	Confident	90.5	Very high	48 Å²	48	49.6 Å²	49.6	25%	0.251	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.9	179.3	-68.9	168.9	0	0	0	114.5	N275 V284 D424 P427	N275-L277 PolarHBondContact O-N 2.96Å; N275-L277 WeakPolarHBondContact OD1-CB 3.23Å; N275-L277 PolarHBondContact OD1-N 3.35Å; L277-V284 HydrophobicContact CD2-CB 4.4Å; L277-V284 HydrophobicContact CD2-CG1 4.33Å; L277-D424 WeakPolarHBondContact CD2-O 3.48Å; L277-P427 HydrophobicContact CD2-CG 3.68Å; L277-P427 HydrophobicContact CG-CG 3.87Å
278	K	87.3	Confident	90.3	Very high	162 Å²	162	51 Å²	51	70%	0.704	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-26.8	-168.1	-65.7	-176.1	179.7	179.8	0	114.3	K234 N275	K234-K278 PolarHBondContact NZ-O 2.92Å; N275-K278 PolarHBondContact O-N 3.01Å
279	D	89.4	Confident	90.3	Very high	43 Å²	43	52.1 Å²	52.1	23%	0.23	31%	0.306	C	S	.	.	S	Bend	trans	-110.9	27	-169.8	-55.5	-53.7	0	0	0	112.6	A233 K234 F262 G274 N275	A233-D279 WeakPolarHBondContact CA-O 3.46Å; K234-D279 HydrophobicContact CD-CB 4.2Å; K234-D279 PolarHBondContact N-O 3.32Å; K234-D279 IonicContact NZ-OD1 2.74Å; K234-D279 PolarHBondContact NZ-OD1 2.94Å; F262-D279 HydrophobicContact CE1-CB 4.2Å; F262-D279 HydrophobicContact CZ-CB 4.29Å; G274-D279 WeakPolarHBondContact CA-OD2 3.25Å; N275-D279 PolarHBondContact N-OD2 3.46Å; N275-D279 PolarHBondContact O-N 3.22Å
280	M	89.8	Confident	90.2	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.2	179.1	-66.4	-67.2	161.3	0	0	111	F216 F218 K231 H232 A233 F262 L276 P282 P283	F216-M280 HydrophobicContact CD1-CE 3.85Å; F216-M280 HydrophobicContact CE1-CE 3.5Å; F216-M280 VanDerWaalsContact CE1-CE 3.5Å; F216-M280 HydrophobicContact CZ-CE 4.26Å; F218-M280 HydrophobicContact CD1-CE 4.14Å; F218-M280 HydrophobicContact CD1-SD 4.07Å; F218-M280 HydrophobicContact CE1-CE 3.84Å; F218-M280 HydrophobicContact CE1-CG 3.8Å; F218-M280 HydrophobicContact CE1-SD 3.65Å; K231-M280 HydrophobicContact CB-CB 4.37Å; K231-M280 HydrophobicContact CB-SD 4.44Å; H232-M280 VanDerWaalsContact C-SD 3.5Å; H232-M280 CarbonylContact O-C 3.59Å; H232-M280 WeakPolarHBondContact O-CA 3.3Å; A233-M280 VanDerWaalsContact CA-SD 3.55Å; A233-M280 HydrophobicContact CB-CE 3.86Å; A233-M280 HydrophobicContact CB-SD 4.12Å; A233-M280 PolarHBondContact N-SD 3.47Å; A233-M280 VanDerWaalsContact N-SD 3.38Å; F262-M280 HydrophobicContact CD1-CE 4.08Å; F262-M280 HydrophobicContact CE1-CE 3.63Å; F262-M280 HydrophobicContact CZ-CE 4.03Å; L276-M280 HydrophobicContact CD2-CE 3.73Å; L276-M280 WeakPolarHBondContact O-CG 3.44Å; M280-P282 CarbonylContact C-O 3.56Å; M280-P282 CarbonylContact O-C 3.59Å; M280-P283 WeakPolarHBondContact O-CA 3.41Å
281	T	90.1	Very high	90.1	Very high	83 Å²	83	52.4 Å²	52.4	51%	0.509	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.2	176.1	-57.3	0	0	0	0	108.7	H232	H232-T281 WeakPolarHBondContact CB-O 3.48Å; H232-T281 PolarHBondContact N-O 3.1Å; H232-T281 PolarHBondContact O-N 3.41Å
282	P	90.3	Very high	90	Very high	53 Å²	53	53.1 Å²	53.1	34%	0.344	30%	0.301	S	S	.	.	S	Bend	cis	-59.2	160.3	-11.5	-20.6	34.6	0	0	0	112.2	E229 K231 M280	E229-P282 WeakPolarHBondContact OE1-CB 3.25Å; E229-P282 WeakPolarHBondContact OE1-CG 3.36Å; K231-P282 WeakPolarHBondContact CD-O 3.49Å; M280-P282 CarbonylContact C-O 3.56Å; M280-P282 CarbonylContact O-C 3.59Å
283	P	87.8	Confident	89.8	Confident	63 Å²	63	56.5 Å²	56.5	41%	0.409	32%	0.324	S	S	.	.			trans	-63	147.6	176.5	28.1	-35.7	0	0	0	110.9	K231 M280	K231-P283 PolarHBondContact NZ-O 2.96Å; M280-P283 WeakPolarHBondContact O-CA 3.41Å
284	V	87	Confident	89.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-59.1	-53.1	177.4	169.9	0	0	0	0	110.7	F218 K231 L276 L277 F422 P427	F218-V284 HydrophobicContact CE2-CG2 4.45Å; F218-V284 HydrophobicContact CZ-CG2 3.69Å; K231-V284 HydrophobicContact CG-CG2 4.39Å; L276-V284 WeakPolarHBondContact O-CG2 3.21Å; L277-V284 HydrophobicContact CD2-CB 4.4Å; L277-V284 HydrophobicContact CD2-CG1 4.33Å; V284-F422 VanDerWaalsContact O-CZ 3.23Å; V284-F422 WeakPolarHBondContact O-CZ 3.5Å; V284-P427 HydrophobicContact CG1-CB 4.04Å; V284-P427 HydrophobicContact CG2-CB 4.29Å
285	N	88	Confident	89.6	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.193	33%	0.334	C	S	.	.	S	Bend	trans	-87.2	118	174.9	-65.7	-24.9	0	0	0	108	D424	N285-D424 PolarHBondContact ND2-O 2.99Å; N285-D424 PolarHBondContact OD1-N 3.48Å; N285-D424 PolarHBondContact OD1-O 3.18Å
286	P	86.7	Confident	89.5	Confident	28 Å²	28	65 Å²	65	18%	0.182	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-61.5	156	175.3	27.3	-35.8	0	0	0	110.5	Y421 F422	P286-Y421 VanDerWaalsContact O-CD2 3.3Å; P286-Y421 WeakPolarHBondContact O-CD2 3.41Å; P286-F422 VanDerWaalsContact CD-CE1 3.43Å; P286-F422 HydrophobicContact CG-CD1 3.82Å; P286-F422 HydrophobicContact CG-CE1 3.8Å
287	P	87.8	Confident	89.5	Confident	74 Å²	74	69.3 Å²	69.3	48%	0.481	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63	142.9	179.4	28.8	-36.1	0	0	0	110.7	E289 I290 N418	P287-E289 WeakPolarHBondContact CB-O 3.43Å; P287-E289 PolarHBondContact O-N 3.05Å; P287-I290 HydrophobicContact CG-CG2 4.17Å; P287-N418 VanDerWaalsContact O-CB 3.28Å; P287-N418 WeakPolarHBondContact O-CB 3.38Å; P287-N418 PolarHBondContact O-ND2 2.78Å
288	A	88.1	Confident	89.7	Confident	54 Å²	54	69.4 Å²	69.4	45%	0.446	38%	0.377	S	S	.	.	S	Bend	trans	-67.8	-24.3	-179.9	0	0	0	0	0	113.2	N418 Y421	A288-N418 PolarHBondContact O-N 2.87Å; A288-Y421 VanDerWaalsContact CA-CD2 3.48Å; A288-Y421 HydrophobicContact CB-CD2 3.93Å; A288-Y421 HydrophobicContact CB-CE2 3.85Å; A288-Y421 HydrophobicContact CB-CG 4.33Å
289	E	90.9	Very high	89.8	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.5	174.6	-63.4	179.2	162.9	0	0	109	P287 K415 I416	P287-E289 WeakPolarHBondContact CB-O 3.43Å; P287-E289 PolarHBondContact O-N 3.05Å; E289-K415 HydrophobicContact CB-CB 4.25Å; E289-K415 HydrophobicContact CB-CD 4.39Å; E289-K415 WeakPolarHBondContact OE2-CD 3.13Å; E289-I416 CarbonylContact C-O 3.56Å; E289-I416 VanDerWaalsContact CA-O 3.3Å; E289-I416 WeakPolarHBondContact CA-O 3.45Å
290	I	90.9	Very high	89.8	Confident	56 Å²	56	75.6 Å²	75.6	29%	0.287	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	158.1	169.8	54.6	177.8	0	0	0	109.1	P287 K415 I416 N418	P287-I290 HydrophobicContact CG-CG2 4.17Å; I290-K415 CarbonylContact O-C 3.57Å; I290-K415 WeakPolarHBondContact O-CA 3.48Å; I290-I416 HydrophobicContact CG1-CD1 4.37Å; I290-I416 HydrophobicContact CG1-CG1 3.91Å; I290-I416 PolarHBondContact N-O 3.48Å; I290-I416 PolarHBondContact O-N 3.4Å; I290-N418 HydrophobicContact CD1-CB 4.41Å; I290-N418 HydrophobicContact CG1-CB 4.17Å; I290-N418 HydrophobicContact CG2-CB 3.98Å
291	E	91.5	Very high	89.8	Confident	105 Å²	105	78.6 Å²	78.6	49%	0.491	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137	168.6	-75.2	178.5	-170.5	0	0	109.3	P293 P413	E291-P293 WeakPolarHBondContact O-CD 3.34Å; E291-P413 HydrophobicContact CB-CB 3.96Å; E291-P413 HydrophobicContact CB-CG 4.13Å; E291-P413 HydrophobicContact CG-CB 4.34Å; E291-P413 HydrophobicContact CG-CG 4.41Å
292	D	91.6	Very high	89.9	Confident	31 Å²	31	75.9 Å²	75.9	17%	0.166	40%	0.404	C	S	.	.			trans	-70.6	113.8	-177.5	-168.6	-15.3	0	0	0	109.8	D294 D295 R414 I416	D292-D294 PolarHBondContact O-N 2.98Å; D292-D294 PolarHBondContact OD1-N 3Å; D292-D294 VanDerWaalsContact OD1-N 3.16Å; D292-D295 HydrophobicContact CB-CB 3.8Å; D292-D295 PolarHBondContact O-N 2.93Å; D292-R414 VanDerWaalsContact CB-O 3.26Å; D292-R414 WeakPolarHBondContact CB-O 3.23Å; D292-R414 PolarHBondContact N-O 2.94Å; D292-I416 HydrophobicContact CB-CD1 4.09Å; D292-I416 HydrophobicContact CB-CG1 4.1Å; D292-I416 HydrophobicContact CB-CG2 3.9Å
293	P	90.6	Very high	89.9	Confident	94 Å²	94	76.3 Å²	76.3	61%	0.61	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19	-177.4	30.9	-36.2	0	0	0	112.8	E291 H296	E291-P293 WeakPolarHBondContact O-CD 3.34Å; P293-H296 PolarHBondContact O-CE1 3.2Å
294	D	90.2	Very high	90	Very high	140 Å²	140	80.2 Å²	80.2	75%	0.749	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.8	177.9	-63.8	-33.4	0	0	0	112.1	D292	D292-D294 PolarHBondContact O-N 2.98Å; D292-D294 PolarHBondContact OD1-N 3Å; D292-D294 VanDerWaalsContact OD1-N 3.16Å
295	D	92.1	Very high	90.2	Very high	35 Å²	35	83.9 Å²	83.9	19%	0.187	43%	0.432	C	S	.	.			trans	-87.6	133.7	174.1	-165.1	21.2	0	0	0	110	D292 W411 P413 R414	D292-D295 HydrophobicContact CB-CB 3.8Å; D292-D295 PolarHBondContact O-N 2.93Å; D295-W411 WeakPolarHBondContact O-CH2 3.5Å; D295-P413 HydrophobicContact CB-CB 4.37Å; D295-R414 VanDerWaalsContact OD2-CB 3.31Å; D295-R414 WeakPolarHBondContact OD2-CB 3.3Å; D295-R414 VanDerWaalsContact OD2-CD 3.3Å; D295-R414 WeakPolarHBondContact OD2-CD 3.24Å; D295-R414 WeakPolarHBondContact OD2-CG 3.41Å; D295-R414 PolarHBondContact OD2-N 3.12Å
296	H	90.1	Very high	90.4	Very high	141 Å²	141	87.5 Å²	87.5	65%	0.653	45%	0.446	S	S	*	.			trans	-134.6	144.8	-172.5	-65.9	-22.8	0	0	0	110.3	P293 P298	P293-H296 PolarHBondContact O-CE1 3.2Å; H296-P298 VanDerWaalsContact O-CD 3.31Å; H296-P298 WeakPolarHBondContact O-CD 3.44Å
297	K	91.1	Very high	90.6	Very high	92 Å²	92	88 Å²	88	40%	0.4	45%	0.447	S	S	.	.			trans	-56.1	121.5	-180	-175.2	-176.5	169.3	-165.7	0	110.7	W301 E303 W411	K297-W301 WeakPolarHBondContact CE-O 3.09Å; K297-W301 HydrophobicContact CG-CB 4.24Å; K297-W301 PolarHBondContact NZ-O 3.19Å; K297-E303 VanDerWaalsContact CE-CD 3.45Å; K297-E303 WeakPolarHBondContact CE-OE2 3.26Å; K297-E303 IonicContact NZ-OE1 3.43Å; K297-E303 IonicContact NZ-OE2 2.71Å; K297-E303 PolarHBondContact NZ-OE2 3.06Å; K297-W411 HydrophobicContact CB-CD2 3.71Å; K297-W411 HydrophobicContact CB-CE3 3.71Å; K297-W411 HydrophobicContact CB-CG 4.1Å; K297-W411 HydrophobicContact CB-CZ3 4.15Å; K297-W411 HydrophobicContact CD-CB 4.21Å; K297-W411 HydrophobicContact CG-CB 3.94Å; K297-W411 HydrophobicContact CG-CD2 3.99Å; K297-W411 HydrophobicContact CG-CE3 4.3Å; K297-W411 HydrophobicContact CG-CG 3.81Å
298	P	92.1	Very high	90.7	Very high	50 Å²	50	89.7 Å²	89.7	33%	0.325	45%	0.448	S	S	.	.			trans	-62.6	143.8	173.7	-23	34.5	0	0	0	112.2	H296 D300 W301	H296-P298 VanDerWaalsContact O-CD 3.31Å; H296-P298 WeakPolarHBondContact O-CD 3.44Å; P298-D300 WeakPolarHBondContact CB-OD1 3.16Å; P298-D300 PolarHBondContact O-N 3.05Å; P298-W301 HydrophobicContact CB-CB 4.37Å; P298-W301 WeakPolarHBondContact O-CB 3.17Å; P298-W301 PolarHBondContact O-N 2.79Å; P298-W301 VanDerWaalsContact O-N 3.08Å
299	E	89.1	Confident	90.8	Very high	208 Å²	208	89.1 Å²	89.1	97%	0.972	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.6	178.8	-64.6	-175.9	169.7	0	0	113.1	W301	E299-W301 VanDerWaalsContact C-N 3.32Å
300	D	90.1	Very high	90.6	Very high	126 Å²	126	88.7 Å²	88.7	67%	0.674	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	0.3	177	64.5	-44.1	0	0	0	113.9	P298 D302 Q408	P298-D300 WeakPolarHBondContact CB-OD1 3.16Å; P298-D300 PolarHBondContact O-N 3.05Å; D300-D302 PolarHBondContact O-N 3Å; D300-Q408 PolarHBondContact O-NE2 2.69Å
301	W	90.6	Very high	90.4	Very high	69 Å²	69	92.9 Å²	92.9	26%	0.261	47%	0.468	S	S	.	.			trans	-84.5	100.3	178.9	-165.5	-72.3	0	0	0	112.2	K297 P298 E299 E303 Q408 G409 W411	K297-W301 WeakPolarHBondContact CE-O 3.09Å; K297-W301 HydrophobicContact CG-CB 4.24Å; K297-W301 PolarHBondContact NZ-O 3.19Å; P298-W301 HydrophobicContact CB-CB 4.37Å; P298-W301 WeakPolarHBondContact O-CB 3.17Å; P298-W301 PolarHBondContact O-N 2.79Å; P298-W301 VanDerWaalsContact O-N 3.08Å; E299-W301 VanDerWaalsContact C-N 3.32Å; W301-E303 PolarHBondContact O-N 2.91Å; W301-Q408 HydrophobicContact CD2-CB 3.83Å; W301-Q408 VanDerWaalsContact CE2-CB 3.46Å; W301-Q408 HydrophobicContact CE3-CB 4.21Å; W301-Q408 HydrophobicContact CG-CB 4.4Å; W301-Q408 HydrophobicContact CH2-CB 4.01Å; W301-Q408 HydrophobicContact CZ2-CB 3.6Å; W301-Q408 WeakPolarHBondContact CZ2-O 3.44Å; W301-Q408 HydrophobicContact CZ3-CB 4.29Å; W301-G409 PolarHBondContact NE1-O 2.82Å; W301-W411 HydrophobicContact CD2-CB 4.3Å; W301-W411 AromaticContact CD2-CD1 3.79Å; W301-W411 HydrophobicContact CD2-CG 4.44Å; W301-W411 AromaticContact CE2-CD1 4Å; W301-W411 HydrophobicContact CG-CB 4.14Å; W301-W411 HydrophobicContact CG-CG 4.47Å
302	D	90.9	Very high	90.3	Very high	25 Å²	25	89.2 Å²	89.2	13%	0.134	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-85.3	112.3	177.9	-157.4	-15.2	0	0	0	112.1	D300 R304 N404 Y407 Q408	D300-D302 PolarHBondContact O-N 3Å; D302-R304 VanDerWaalsContact OD1-CB 3.31Å; D302-R304 WeakPolarHBondContact OD1-CB 3.25Å; D302-R304 WeakPolarHBondContact OD1-CG 3.29Å; D302-R304 IonicContact OD1-CZ 2.67Å; D302-R304 PolarHBondContact OD1-N 2.92Å; D302-R304 IonicContact OD1-NE 3.49Å; D302-R304 PolarHBondContact OD1-NE 2.74Å; D302-R304 IonicContact OD1-NH2 3.91Å; D302-R304 IonicContact OD2-CZ 2.68Å; D302-R304 IonicContact OD2-NE 2.66Å; D302-R304 PolarHBondContact OD2-NE 2.87Å; D302-R304 IonicContact OD2-NH2 2.69Å; D302-R304 PolarHBondContact OD2-NH2 2.93Å; D302-N404 PolarHBondContact OD1-ND2 2.8Å; D302-N404 PolarHBondContact OD2-ND2 2.95Å; D302-Y407 WeakPolarHBondContact O-CA 2.91Å; D302-Q408 PolarHBondContact O-N 3.12Å; D302-Q408 VanDerWaalsContact O-N 3.09Å
303	E	91.7	Very high	90.1	Very high	62 Å²	62	93.5 Å²	93.5	29%	0.29	48%	0.483	S	S	.	.			trans	-95	-0.5	177.7	-57.7	179.9	133.2	0	0	112.6	K297 W301 P305 Y407 W411	K297-E303 VanDerWaalsContact CE-CD 3.45Å; K297-E303 WeakPolarHBondContact CE-OE2 3.26Å; K297-E303 IonicContact NZ-OE1 3.43Å; K297-E303 IonicContact NZ-OE2 2.71Å; K297-E303 PolarHBondContact NZ-OE2 3.06Å; W301-E303 PolarHBondContact O-N 2.91Å; E303-P305 WeakPolarHBondContact O-CD 3.34Å; E303-Y407 WeakPolarHBondContact O-CE2 3.36Å; E303-W411 VanDerWaalsContact OE1-CB 3.31Å; E303-W411 WeakPolarHBondContact OE1-CB 3.43Å; E303-W411 PolarHBondContact OE1-N 2.95Å
304	R	89.8	Confident	89.9	Confident	146 Å²	146	92.8 Å²	92.8	55%	0.551	47%	0.47	S	S	*	.			trans	-78.3	113.1	-179.3	-60.6	170.4	-63	173.3	6.2	108.3	D302 K306 I307 N404	D302-R304 VanDerWaalsContact OD1-CB 3.31Å; D302-R304 WeakPolarHBondContact OD1-CB 3.25Å; D302-R304 WeakPolarHBondContact OD1-CG 3.29Å; D302-R304 IonicContact OD1-CZ 2.67Å; D302-R304 PolarHBondContact OD1-N 2.92Å; D302-R304 IonicContact OD1-NE 3.49Å; D302-R304 PolarHBondContact OD1-NE 2.74Å; D302-R304 IonicContact OD1-NH2 3.91Å; D302-R304 IonicContact OD2-CZ 2.68Å; D302-R304 IonicContact OD2-NE 2.66Å; D302-R304 PolarHBondContact OD2-NE 2.87Å; D302-R304 IonicContact OD2-NH2 2.69Å; D302-R304 PolarHBondContact OD2-NH2 2.93Å; R304-K306 PolarHBondContact O-N 2.81Å; R304-I307 HydrophobicContact CB-CG2 4.4Å; R304-N404 WeakPolarHBondContact O-CB 3.4Å; R304-N404 PolarHBondContact O-ND2 3.11Å
305	P	90.8	Very high	89.7	Confident	76 Å²	76	88.5 Å²	88.5	49%	0.494	45%	0.449	S	S	.	.	S	Bend	trans	-67.8	-29.6	-179.8	28.3	-35.1	0	0	0	111.3	E303 N404 Y407	E303-P305 WeakPolarHBondContact O-CD 3.34Å; P305-N404 PolarHBondContact O-N 2.73Å; P305-Y407 HydrophobicContact CB-CE1 4.35Å; P305-Y407 HydrophobicContact CB-CE2 4.34Å
306	K	92.1	Very high	89.3	Confident	113 Å²	113	96.8 Å²	96.8	49%	0.491	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.8	178.1	-61.2	-178.6	179.3	174.2	0	110.7	R304 M401 V402 D403	R304-K306 PolarHBondContact O-N 2.81Å; K306-M401 HydrophobicContact CB-CB 4.25Å; K306-M401 HydrophobicContact CB-CE 3.88Å; K306-M401 WeakPolarHBondContact O-CE 3.28Å; K306-V402 CarbonylContact C-O 3.54Å; K306-V402 VanDerWaalsContact CA-O 3.23Å; K306-V402 WeakPolarHBondContact CA-O 3.24Å; K306-D403 VanDerWaalsContact CE-OD1 3.28Å; K306-D403 WeakPolarHBondContact CE-OD1 3.3Å
307	I	91	Very high	88.9	Confident	37 Å²	37	95.1 Å²	95.1	19%	0.19	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	160.2	174.2	54.2	173.8	0	0	0	109.5	R304 D309 M401 V402 N404	R304-I307 HydrophobicContact CB-CG2 4.4Å; I307-D309 PolarHBondContact O-N 2.88Å; I307-M401 CarbonylContact O-C 3.52Å; I307-M401 WeakPolarHBondContact O-CA 3.34Å; I307-V402 HydrophobicContact CG1-CG2 4.12Å; I307-V402 PolarHBondContact N-O 2.68Å; I307-V402 PolarHBondContact O-N 2.81Å; I307-N404 HydrophobicContact CD1-CB 4.35Å; I307-N404 HydrophobicContact CG1-CB 4.07Å; I307-N404 HydrophobicContact CG2-CB 3.98Å
308	Q	90.3	Very high	88.6	Confident	110 Å²	110	94 Å²	94	51%	0.514	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.3	168.3	-77.2	178.3	16	0	0	109.4	P310 P399 M401	Q308-P310 WeakPolarHBondContact O-CD 3.34Å; Q308-P399 HydrophobicContact CB-CB 3.88Å; Q308-P399 HydrophobicContact CB-CG 4.05Å; Q308-P399 HydrophobicContact CG-CB 4.22Å; Q308-P399 HydrophobicContact CG-CG 4.3Å; Q308-M401 HydrophobicContact CB-SD 4.5Å; Q308-M401 HydrophobicContact CG-SD 3.66Å
309	D	89.6	Confident	88.2	Confident	42 Å²	42	95.6 Å²	95.6	23%	0.225	48%	0.482	C	S	.	.			trans	-58.5	114.8	177.7	-174	-11.6	0	0	0	110.5	I307 D311 A312 P400 V402	I307-D309 PolarHBondContact O-N 2.88Å; D309-D311 VanDerWaalsContact C-N 3.27Å; D309-D311 PolarHBondContact O-N 2.91Å; D309-D311 PolarHBondContact OD1-N 2.8Å; D309-A312 HydrophobicContact CB-CB 3.77Å; D309-A312 PolarHBondContact O-N 3.3Å; D309-A312 PolarHBondContact OD1-N 3.48Å; D309-P400 HydrophobicContact CB-CG 3.88Å; D309-P400 WeakPolarHBondContact CB-O 3.23Å; D309-P400 PolarHBondContact N-O 2.78Å; D309-V402 HydrophobicContact CB-CG1 3.87Å; D309-V402 HydrophobicContact CB-CG2 4.1Å
310	P	86.9	Confident	87.9	Confident	105 Å²	105	88.8 Å²	88.8	68%	0.682	45%	0.451	S	S	*	.	S	Bend	trans	-73.7	-19.2	-179	32.2	-36.2	0	0	0	113	Q308	Q308-P310 WeakPolarHBondContact O-CD 3.34Å
311	D	86.4	Confident	87.6	Confident	144 Å²	144	90.1 Å²	90.1	77%	0.77	46%	0.457	S	S	*	.	S	Bend	trans	-91.1	-12.3	179.1	-68.9	-36.5	0	0	0	112	D309 V313	D309-D311 VanDerWaalsContact C-N 3.27Å; D309-D311 PolarHBondContact O-N 2.91Å; D309-D311 PolarHBondContact OD1-N 2.8Å; D311-V313 PolarHBondContact O-N 2.91Å
312	A	88.3	Confident	87.3	Confident	27 Å²	27	87.2 Å²	87.2	22%	0.223	45%	0.449	C	S	.	.			trans	-72.5	126.1	174.6	0	0	0	0	0	111.2	D309 W397 P399 P400	D309-A312 HydrophobicContact CB-CB 3.77Å; D309-A312 PolarHBondContact O-N 3.3Å; D309-A312 PolarHBondContact OD1-N 3.48Å; A312-W397 HydrophobicContact CB-CH2 3.9Å; A312-W397 HydrophobicContact CB-CZ2 4.15Å; A312-W397 WeakPolarHBondContact O-CH2 3.27Å; A312-P399 HydrophobicContact CB-CB 4.21Å; A312-P400 HydrophobicContact CB-CG 4.14Å
313	V	87.5	Confident	87	Confident	122 Å²	122	89.6 Å²	89.6	74%	0.739	47%	0.465	S	S	*	.			trans	-112.2	140.4	176.3	-177.8	0	0	0	0	109.4	D311 P315	D311-V313 PolarHBondContact O-N 2.91Å; V313-P315 WeakPolarHBondContact O-CD 3.34Å
314	K	87.3	Confident	86.8	Confident	78 Å²	78	88.8 Å²	88.8	34%	0.339	47%	0.469	S	S	.	.			trans	-52	122.8	173.3	-179.2	-177.3	170.1	-172.3	0	110.7	W318 E320 W397	K314-W318 WeakPolarHBondContact CE-O 3.26Å; K314-W318 HydrophobicContact CG-CB 4.37Å; K314-W318 PolarHBondContact NZ-O 2.81Å; K314-E320 WeakPolarHBondContact CE-OE2 3.3Å; K314-E320 VanDerWaalsContact NZ-CD 3.32Å; K314-E320 VanDerWaalsContact NZ-CG 3.33Å; K314-E320 IonicContact NZ-OE2 2.64Å; K314-E320 PolarHBondContact NZ-OE2 3.2Å; K314-W397 HydrophobicContact CB-CD2 3.85Å; K314-W397 HydrophobicContact CB-CE3 3.69Å; K314-W397 HydrophobicContact CB-CG 4.26Å; K314-W397 HydrophobicContact CB-CZ3 4.17Å; K314-W397 HydrophobicContact CD-CB 4.33Å; K314-W397 HydrophobicContact CG-CB 3.98Å; K314-W397 HydrophobicContact CG-CD2 4.11Å; K314-W397 HydrophobicContact CG-CE3 4.3Å; K314-W397 HydrophobicContact CG-CG 3.96Å
315	P	86.8	Confident	86.8	Confident	50 Å²	50	86.1 Å²	86.1	33%	0.325	46%	0.463	S	S	.	.			trans	-61.2	145.1	175.8	-25.3	35.5	0	0	0	113	V313 D317 W318	V313-P315 WeakPolarHBondContact O-CD 3.34Å; P315-D317 WeakPolarHBondContact CB-OD1 3.32Å; P315-D317 PolarHBondContact O-N 2.74Å; P315-W318 HydrophobicContact CB-CB 4.45Å; P315-W318 WeakPolarHBondContact O-CB 3.16Å; P315-W318 PolarHBondContact O-N 3.07Å; P315-W318 VanDerWaalsContact O-N 3.13Å
316	E	82.3	Confident	86.6	Confident	209 Å²	209	85.2 Å²	85.2	98%	0.977	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21	178.8	-64.2	-175.8	170.8	0	0	113.3	W318	E316-W318 VanDerWaalsContact C-N 3.3Å
317	D	82.1	Confident	86.5	Confident	107 Å²	107	83 Å²	83	57%	0.572	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	6.3	176.5	74.6	-63.7	0	0	0	113.8	P315 K394	P315-D317 WeakPolarHBondContact CB-OD1 3.32Å; P315-D317 PolarHBondContact O-N 2.74Å; D317-K394 IonicContact OD2-NZ 3.92Å; D317-K394 PolarHBondContact OD2-NZ 2.87Å
318	W	84.8	Confident	86.4	Confident	67 Å²	67	82.9 Å²	82.9	25%	0.254	45%	0.45	S	S	.	.			trans	-101.8	90.6	-179.7	-162.5	-64	0	0	0	111.3	K314 P315 E316 K394 G395 W397	K314-W318 WeakPolarHBondContact CE-O 3.26Å; K314-W318 HydrophobicContact CG-CB 4.37Å; K314-W318 PolarHBondContact NZ-O 2.81Å; P315-W318 HydrophobicContact CB-CB 4.45Å; P315-W318 WeakPolarHBondContact O-CB 3.16Å; P315-W318 PolarHBondContact O-N 3.07Å; P315-W318 VanDerWaalsContact O-N 3.13Å; E316-W318 VanDerWaalsContact C-N 3.3Å; W318-K394 HydrophobicContact CD2-CB 3.71Å; W318-K394 HydrophobicContact CD2-CD 3.87Å; W318-K394 HydrophobicContact CD2-CG 4.43Å; W318-K394 VanDerWaalsContact CE2-CB 3.41Å; W318-K394 HydrophobicContact CE3-CB 4.03Å; W318-K394 HydrophobicContact CE3-CD 3.64Å; W318-K394 HydrophobicContact CE3-CG 4.46Å; W318-K394 HydrophobicContact CG-CB 4.32Å; W318-K394 HydrophobicContact CG-CD 4.33Å; W318-K394 HydrophobicContact CH2-CB 3.89Å; W318-K394 HydrophobicContact CZ2-CB 3.56Å; W318-K394 WeakPolarHBondContact CZ2-O 3.3Å; W318-K394 HydrophobicContact CZ3-CB 4.1Å; W318-K394 HydrophobicContact CZ3-CD 4.08Å; W318-G395 PolarHBondContact NE1-O 3.15Å; W318-W397 HydrophobicContact CD2-CB 4.16Å; W318-W397 AromaticContact CD2-CD1 3.74Å; W318-W397 HydrophobicContact CD2-CG 4.34Å; W318-W397 AromaticContact CE2-CD1 3.98Å; W318-W397 AromaticContact CE3-CD1 3.86Å; W318-W397 HydrophobicContact CG-CB 4.1Å; W318-W397 HydrophobicContact CG-CG 4.47Å; W318-W397 HydrophobicContact CZ2-CB 4.42Å
319	D	83.3	Confident	86.1	Confident	84 Å²	84	85.8 Å²	85.8	45%	0.449	46%	0.464	S	S	.	.			trans	-76.5	124.7	170.7	-167.9	-8.1	0	0	0	110.4	D321 A322	D319-D321 PolarHBondContact OD1-N 2.7Å; D319-A322 HydrophobicContact CB-CB 4.04Å; D319-A322 PolarHBondContact OD1-N 2.88Å; D319-A322 VanDerWaalsContact OD1-N 3.16Å
320	E	83.1	Confident	85.9	Confident	66 Å²	66	91 Å²	91	31%	0.308	49%	0.492	S	S	.	.	S	Bend	trans	-101.2	-16.8	177.4	-68.8	-179.1	120.1	0	0	112.7	K314 K396 W397	K314-E320 WeakPolarHBondContact CE-OE2 3.3Å; K314-E320 VanDerWaalsContact NZ-CD 3.32Å; K314-E320 VanDerWaalsContact NZ-CG 3.33Å; K314-E320 IonicContact NZ-OE2 2.64Å; K314-E320 PolarHBondContact NZ-OE2 3.2Å; E320-K396 WeakPolarHBondContact OE1-CA 3.46Å; E320-W397 PolarHBondContact OE1-N 2.89Å
321	D	83.2	Confident	85.8	Confident	153 Å²	153	86.8 Å²	86.8	82%	0.818	47%	0.466	S	S	*	.	S	Bend	trans	-91.1	-10.6	178	-64.7	-53.1	0	0	0	111.3	D319	D319-D321 PolarHBondContact OD1-N 2.7Å
322	A	84.6	Confident	85.8	Confident	9 Å²	9	86 Å²	86	7%	0.074	47%	0.466	C	S	.	.	S	Bend	trans	-52.1	125.7	167.3	0	0	0	0	0	110.6	D319 Y393	D319-A322 HydrophobicContact CB-CB 4.04Å; D319-A322 PolarHBondContact OD1-N 2.88Å; D319-A322 VanDerWaalsContact OD1-N 3.16Å; A322-Y393 HydrophobicContact CB-CD2 4.5Å; A322-Y393 WeakPolarHBondContact O-CD2 3.08Å; A322-Y393 WeakPolarHBondContact O-CE2 3.38Å
323	P	85.7	Confident	85.6	Confident	74 Å²	74	87.9 Å²	87.9	48%	0.481	47%	0.469	S	S	.	.			trans	-72	145.4	176	30.5	-35.1	0	0	0	110.2	Q325 I326 N390	P323-Q325 PolarHBondContact O-N 2.79Å; P323-I326 HydrophobicContact CG-CG2 3.95Å; P323-N390 WeakPolarHBondContact O-CB 3.3Å; P323-N390 PolarHBondContact O-ND2 3.45Å
324	A	86.4	Confident	85.5	Confident	45 Å²	45	84.8 Å²	84.8	37%	0.372	45%	0.452	S	S	.	.	S	Bend	trans	-59.9	-32	177.8	0	0	0	0	0	113	N390 Y393	A324-N390 PolarHBondContact O-N 3.47Å; A324-Y393 HydrophobicContact CB-CD1 3.8Å; A324-Y393 HydrophobicContact CB-CD2 4.33Å; A324-Y393 HydrophobicContact CB-CE1 3.61Å; A324-Y393 HydrophobicContact CB-CE2 4.16Å; A324-Y393 HydrophobicContact CB-CG 4.14Å
325	Q	89.5	Confident	85.2	Confident	90 Å²	90	89 Å²	89	42%	0.421	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.6	176.9	-50.7	-167.9	-50.3	0	0	110.8	P323 M387 I388 D389	P323-Q325 PolarHBondContact O-N 2.79Å; Q325-M387 HydrophobicContact CB-CB 3.89Å; Q325-M387 HydrophobicContact CB-CE 4.13Å; Q325-M387 WeakPolarHBondContact O-CE 3.43Å; Q325-I388 CarbonylContact C-O 3.53Å; Q325-I388 VanDerWaalsContact CA-O 3.23Å; Q325-I388 WeakPolarHBondContact CA-O 3.43Å; Q325-D389 PolarHBondContact NE2-OD1 3.04Å
326	I	87.9	Confident	85	Confident	57 Å²	57	89.1 Å²	89.1	29%	0.292	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.3	175.7	52.8	178.6	0	0	0	109.3	P323 D328 M387 I388 N390	P323-I326 HydrophobicContact CG-CG2 3.95Å; I326-D328 PolarHBondContact O-N 2.77Å; I326-M387 CarbonylContact O-C 3.58Å; I326-M387 WeakPolarHBondContact O-CA 3.18Å; I326-I388 HydrophobicContact CG1-CG1 4Å; I326-I388 PolarHBondContact N-O 3.47Å; I326-I388 WeakPolarHBondContact O-CG1 3.49Å; I326-I388 PolarHBondContact O-N 3.35Å; I326-N390 HydrophobicContact CD1-CB 4.4Å; I326-N390 HydrophobicContact CG1-CB 4.24Å; I326-N390 HydrophobicContact CG2-CB 4.08Å
327	P	88.9	Confident	85.1	Confident	67 Å²	67	82.1 Å²	82.1	44%	0.435	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	135	173.7	-20.1	31.9	0	0	0	110.5	E329 R385 M387	P327-E329 PolarHBondContact O-N 3.43Å; P327-R385 HydrophobicContact CB-CB 4.21Å; P327-M387 HydrophobicContact CB-SD 4.17Å; P327-M387 HydrophobicContact CG-CE 4.38Å; P327-M387 HydrophobicContact CG-SD 3.85Å
328	D	88.9	Confident	85.3	Confident	34 Å²	34	80 Å²	80	18%	0.182	44%	0.442	C	S	.	.			trans	-67.1	117.4	172.5	-170.9	-15.4	0	0	0	109.6	I326 D330 A331 R385 P386 I388	I326-D328 PolarHBondContact O-N 2.77Å; D328-D330 WeakPolarHBondContact OD1-CA 3.32Å; D328-D330 WeakPolarHBondContact OD1-CB 3.46Å; D328-D330 PolarHBondContact OD1-N 2.81Å; D328-A331 HydrophobicContact CB-CB 3.66Å; D328-A331 PolarHBondContact OD1-N 3.09Å; D328-R385 PolarHBondContact O-NH1 3.34Å; D328-P386 HydrophobicContact CB-CG 4.08Å; D328-P386 WeakPolarHBondContact CB-O 3.09Å; D328-P386 PolarHBondContact N-O 3.11Å; D328-I388 HydrophobicContact CB-CD1 4.28Å; D328-I388 HydrophobicContact CB-CG1 4.18Å; D328-I388 HydrophobicContact CB-CG2 3.91Å
329	E	85.7	Confident	85.1	Confident	172 Å²	172	80.3 Å²	80.3	80%	0.804	45%	0.448	S	S	*	.	S	Bend	trans	-76.6	-31.6	176.9	-65.8	-154.3	143.7	0	0	112.1	P327 R385	P327-E329 PolarHBondContact O-N 3.43Å; E329-R385 PolarHBondContact O-NH1 3.36Å
330	D	84.7	Confident	85.1	Confident	151 Å²	151	84.3 Å²	84.3	81%	0.807	47%	0.47	S	S	*	.	S	Bend	trans	-78.7	-21.4	179.6	-71.7	-35.7	0	0	0	112.2	D328 V332	D328-D330 WeakPolarHBondContact OD1-CA 3.32Å; D328-D330 WeakPolarHBondContact OD1-CB 3.46Å; D328-D330 PolarHBondContact OD1-N 2.81Å; D330-V332 PolarHBondContact O-N 2.92Å; D330-V332 VanDerWaalsContact O-N 3.13Å
331	A	85.5	Confident	85	Confident	17 Å²	17	85.5 Å²	85.5	14%	0.14	48%	0.475	C	S	.	.			trans	-63.6	111.5	172.1	0	0	0	0	0	111.9	D328 W383 R385 P386	D328-A331 HydrophobicContact CB-CB 3.66Å; D328-A331 PolarHBondContact OD1-N 3.09Å; A331-W383 WeakPolarHBondContact O-CH2 3.46Å; A331-R385 PolarHBondContact O-NH1 3.14Å; A331-P386 HydrophobicContact CB-CG 3.48Å; A331-P386 VanDerWaalsContact CB-CG 3.48Å
332	V	86.1	Confident	85	Confident	128 Å²	128	80.7 Å²	80.7	78%	0.776	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-95.2	137.2	172.6	-175.3	0	0	0	0	109.7	D330	D330-V332 PolarHBondContact O-N 2.92Å; D330-V332 VanDerWaalsContact O-N 3.13Å
333	K	83.7	Confident	85	Confident	65 Å²	65	85.5 Å²	85.5	28%	0.283	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-59	129.8	174.5	-178.7	174.8	167.4	-177	0	111.2	W337 D339 W383	K333-W337 VanDerWaalsContact CE-CB 3.48Å; K333-W337 HydrophobicContact CG-CB 4.36Å; K333-D339 IonicContact NZ-OD1 2.59Å; K333-D339 PolarHBondContact NZ-OD1 3.45Å; K333-D339 IonicContact NZ-OD2 2.74Å; K333-D339 PolarHBondContact NZ-OD2 3.45Å; K333-W383 HydrophobicContact CB-CD2 3.68Å; K333-W383 HydrophobicContact CB-CE3 3.78Å; K333-W383 HydrophobicContact CB-CG 4.27Å; K333-W383 HydrophobicContact CB-CH2 3.93Å; K333-W383 HydrophobicContact CB-CZ2 3.88Å; K333-W383 HydrophobicContact CB-CZ3 3.9Å; K333-W383 HydrophobicContact CD-CB 3.82Å; K333-W383 HydrophobicContact CD-CD2 3.9Å; K333-W383 HydrophobicContact CD-CE3 4.01Å; K333-W383 HydrophobicContact CD-CG 3.83Å; K333-W383 HydrophobicContact CG-CB 4.24Å; K333-W383 HydrophobicContact CG-CD2 3.71Å; K333-W383 HydrophobicContact CG-CE3 4.13Å; K333-W383 HydrophobicContact CG-CG 3.75Å
334	P	86.1	Confident	85	Confident	58 Å²	58	87.8 Å²	87.8	38%	0.377	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-61.1	140.2	177.6	-24.9	34.8	0	0	0	113.7	G336 W337 P378	P334-G336 PolarHBondContact O-N 2.91Å; P334-W337 HydrophobicContact CG-CE3 4.46Å; P334-W337 PolarHBondContact O-N 3.4Å; P334-P378 HydrophobicContact CB-CB 3.99Å
335	D	80.9	Confident	85	Confident	165 Å²	165	88.5 Å²	88.5	88%	0.882	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	124.5	171.4	-72.7	-45.8	0	0	0	110.5
336	G	81.2	Confident	85	Confident	54 Å²	54	85.8 Å²	85.8	56%	0.557	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	4.3	179.2	0	0	0	0	0	116	P334 P378	P334-G336 PolarHBondContact O-N 2.91Å; G336-P378 WeakPolarHBondContact O-CD 3.32Å
337	W	85.5	Confident	85	Confident	61 Å²	61	85.5 Å²	85.5	23%	0.231	47%	0.469	C	S	.	.			trans	-61.8	135.4	171.2	-171.3	-73.7	0	0	0	112.2	K333 P334 C380 G381 W383	K333-W337 VanDerWaalsContact CE-CB 3.48Å; K333-W337 HydrophobicContact CG-CB 4.36Å; P334-W337 HydrophobicContact CG-CE3 4.46Å; P334-W337 PolarHBondContact O-N 3.4Å; W337-C380 VanDerWaalsContact CZ2-O 3.28Å; W337-C380 WeakPolarHBondContact CZ2-O 3.44Å; W337-G381 PolarHBondContact NE1-O 3.02Å; W337-W383 HydrophobicContact CD2-CB 4.32Å; W337-W383 AromaticContact CD2-CD1 3.9Å; W337-W383 HydrophobicContact CD2-CG 4.45Å; W337-W383 AromaticContact CE2-CD1 3.9Å; W337-W383 AromaticContact CE3-CD1 3.88Å; W337-W383 HydrophobicContact CG-CB 4.49Å; W337-W383 AromaticContact CH2-CD1 3.91Å; W337-W383 HydrophobicContact CZ2-CB 4.34Å; W337-W383 AromaticContact CZ2-CD1 3.91Å; W337-W383 AromaticContact CZ3-CD1 3.87Å
338	L	85.6	Confident	84.8	Confident	63 Å²	63	87.5 Å²	87.5	33%	0.33	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-99.1	90.4	-175.2	-58.5	177.4	0	0	0	111.6	D340 E341 A377 G379 C380 G381	L338-D340 PolarHBondContact O-N 3.19Å; L338-E341 HydrophobicContact CB-CB 4.1Å; L338-E341 HydrophobicContact CB-CG 4.31Å; L338-E341 HydrophobicContact CD1-CG 4.37Å; L338-A377 HydrophobicContact CD1-CB 3.71Å; L338-A377 HydrophobicContact CG-CB 3.89Å; L338-G379 PolarHBondContact N-O 2.58Å; L338-C380 CarbonylContact O-C 3.51Å; L338-C380 WeakPolarHBondContact O-CA 3.35Å; L338-G381 PolarHBondContact O-N 2.85Å
339	D	81.5	Confident	84.6	Confident	73 Å²	73	92.6 Å²	92.6	39%	0.39	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-34	-176.8	-60.7	-76.8	0	0	0	114.7	K333 G381	K333-D339 IonicContact NZ-OD1 2.59Å; K333-D339 PolarHBondContact NZ-OD1 3.45Å; K333-D339 IonicContact NZ-OD2 2.74Å; K333-D339 PolarHBondContact NZ-OD2 3.45Å; D339-G381 WeakPolarHBondContact CA-O 3.39Å
340	D	82.3	Confident	84.6	Confident	169 Å²	169	85.9 Å²	85.9	90%	0.904	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.9	-172.9	-61.7	-48.4	0	0	0	113	L338	L338-D340 PolarHBondContact O-N 3.19Å
341	E	82	Confident	84.8	Confident	91 Å²	91	85.8 Å²	85.8	43%	0.425	48%	0.482	S	S	.	.	S	Bend	trans	-93.4	132.3	178	-72	-66	149.1	0	0	110.2	L338 N371 G381	L338-E341 HydrophobicContact CB-CB 4.1Å; L338-E341 HydrophobicContact CB-CG 4.31Å; L338-E341 HydrophobicContact CD1-CG 4.37Å; E341-N371 PolarHBondContact OE2-ND2 2.84Å; E341-N371 VanDerWaalsContact OE2-ND2 3.08Å; E341-G381 VanDerWaalsContact O-CA 3.27Å; E341-G381 WeakPolarHBondContact O-CA 3.47Å; E341-G381 PolarHBondContact O-N 2.86Å
342	A	82.9	Confident	84.8	Confident	51 Å²	51	88.1 Å²	88.1	42%	0.421	49%	0.489	S	S	.	.			trans	-69.9	139.8	174.7	0	0	0	0	0	110.7	Y344 N371	A342-Y344 VanDerWaalsContact C-N 3.25Å; A342-Y344 VanDerWaalsContact CB-O 3.22Å; A342-Y344 WeakPolarHBondContact CB-O 3.43Å; A342-Y344 PolarHBondContact O-N 2.74Å; A342-N371 WeakPolarHBondContact O-CB 3.38Å; A342-N371 PolarHBondContact O-ND2 2.82Å
343	E	83.4	Confident	85	Confident	111 Å²	111	85.3 Å²	85.3	52%	0.519	47%	0.473	S	S	.	.	S	Bend	trans	-62	-35.8	176	-174.4	175.9	-159.6	0	0	111.7	N371 C380	E343-N371 PolarHBondContact O-N 3.25Å; E343-C380 HydrophobicContact CB-CB 4.38Å
344	Y	86.9	Confident	85.2	Confident	121 Å²	121	90.9 Å²	90.9	48%	0.475	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.7	173.9	-59.4	-89.2	0	0	0	110.6	A342 V369 P370	A342-Y344 VanDerWaalsContact C-N 3.25Å; A342-Y344 VanDerWaalsContact CB-O 3.22Å; A342-Y344 WeakPolarHBondContact CB-O 3.43Å; A342-Y344 PolarHBondContact O-N 2.74Å; Y344-V369 CarbonylContact C-O 3.44Å; Y344-V369 VanDerWaalsContact CA-O 3.29Å; Y344-V369 WeakPolarHBondContact CA-O 3.27Å; Y344-P370 HydrophobicContact CE1-CB 4.46Å
345	I	86.9	Confident	85.4	Confident	61 Å²	61	95.8 Å²	95.8	31%	0.313	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.5	172.6	56	176.8	0	0	0	108.8	D347 Q368 V369 N371	I345-D347 PolarHBondContact O-N 2.73Å; I345-Q368 WeakPolarHBondContact O-CA 3.33Å; I345-V369 HydrophobicContact CG1-CG2 4.06Å; I345-V369 PolarHBondContact N-O 2.84Å; I345-V369 WeakPolarHBondContact O-CG2 3.44Å; I345-V369 PolarHBondContact O-N 2.79Å; I345-N371 HydrophobicContact CD1-CB 4.4Å; I345-N371 HydrophobicContact CG1-CB 4.3Å; I345-N371 HydrophobicContact CG2-CB 4.1Å
346	G	88.1	Confident	85.7	Confident	33 Å²	33	92.1 Å²	92.1	34%	0.34	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135	169.8	0	0	0	0	0	110.6	P348	G346-P348 WeakPolarHBondContact O-CD 3.49Å
347	D	87.7	Confident	86.1	Confident	50 Å²	50	93.6 Å²	93.6	27%	0.267	50%	0.498	S	S	.	.			trans	-58.9	117.4	178.9	-173.6	-15.7	0	0	0	110.8	I345 D349 A350 P367 V369	I345-D347 PolarHBondContact O-N 2.73Å; D347-D349 PolarHBondContact O-N 3.23Å; D347-D349 PolarHBondContact OD1-N 2.66Å; D347-A350 HydrophobicContact CB-CB 3.83Å; D347-A350 PolarHBondContact O-N 2.85Å; D347-P367 WeakPolarHBondContact CB-O 3.46Å; D347-P367 PolarHBondContact N-O 2.89Å; D347-V369 HydrophobicContact CB-CG1 3.86Å; D347-V369 HydrophobicContact CB-CG2 4.07Å
348	P	84.6	Confident	86.3	Confident	109 Å²	109	96.3 Å²	96.3	71%	0.708	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.7	-178.5	30.9	-36.9	0	0	0	113.5	G346	G346-P348 WeakPolarHBondContact O-CD 3.49Å
349	D	84.8	Confident	86.4	Confident	142 Å²	142	100.5 Å²	100.5	76%	0.759	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.5	178.5	-69.4	-37.6	0	0	0	112.3	D347	D347-D349 PolarHBondContact O-N 3.23Å; D347-D349 PolarHBondContact OD1-N 2.66Å
350	A	87.6	Confident	86.8	Confident	30 Å²	30	104.5 Å²	104.5	25%	0.248	55%	0.554	C	S	.	*			trans	-72.8	127.5	174.9	0	0	0	0	0	111.8	D347 W364 A366 P367	D347-A350 HydrophobicContact CB-CB 3.83Å; D347-A350 PolarHBondContact O-N 2.85Å; A350-W364 HydrophobicContact CB-CH2 4.09Å; A350-W364 HydrophobicContact CB-CZ2 4.25Å; A350-A366 HydrophobicContact CB-CB 4.42Å; A350-P367 HydrophobicContact CB-CG 4.45Å
351	I	87.4	Confident	87	Confident	150 Å²	150	100.9 Å²	100.9	77%	0.769	54%	0.535	S	S	*	.			trans	-110.1	132.1	177.9	-56.9	174	0	0	0	108.3
352	K	86.3	Confident	87.3	Confident	66 Å²	66	97.9 Å²	97.9	29%	0.287	53%	0.529	S	S	.	.			trans	-54.8	127.3	172.2	-177.9	-179	176.9	-167.9	0	110	W356 E358 W364	K352-W356 WeakPolarHBondContact CE-O 3.16Å; K352-W356 HydrophobicContact CG-CB 4.27Å; K352-W356 PolarHBondContact NZ-O 3.02Å; K352-E358 IonicContact NZ-OE1 3.36Å; K352-E358 PolarHBondContact NZ-OE1 2.84Å; K352-W364 HydrophobicContact CB-CD2 3.69Å; K352-W364 HydrophobicContact CB-CE3 3.85Å; K352-W364 HydrophobicContact CB-CG 4.07Å; K352-W364 HydrophobicContact CB-CZ2 4.4Å; K352-W364 HydrophobicContact CB-CZ3 4.27Å; K352-W364 HydrophobicContact CD-CB 3.9Å; K352-W364 HydrophobicContact CD-CG 4.14Å; K352-W364 HydrophobicContact CG-CB 3.99Å; K352-W364 HydrophobicContact CG-CD2 3.87Å; K352-W364 HydrophobicContact CG-CE3 4.38Å; K352-W364 HydrophobicContact CG-CG 3.67Å
353	P	90.8	Very high	87.6	Confident	69 Å²	69	103.9 Å²	103.9	45%	0.448	55%	0.548	S	S	.	.			trans	-60	140.9	175.1	-23.7	34.3	0	0	0	112.5	D355 W356	P353-D355 PolarHBondContact O-N 3.26Å; P353-D355 VanDerWaalsContact O-N 3.16Å; P353-W356 HydrophobicContact CB-CB 4.41Å; P353-W356 WeakPolarHBondContact O-CB 3.39Å; P353-W356 PolarHBondContact O-N 3.31Å
354	D	87.1	Confident	87.8	Confident	182 Å²	182	102 Å²	102	97%	0.973	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	178.8	-69.7	-43.8	0	0	0	113.7
355	D	89.4	Confident	87.8	Confident	161 Å²	161	103.9 Å²	103.9	86%	0.861	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	8.1	-178.6	-153.1	39.1	0	0	0	112.8	P353	P353-D355 PolarHBondContact O-N 3.26Å; P353-D355 VanDerWaalsContact O-N 3.16Å
356	W	88.9	Confident	87.9	Confident	87 Å²	87	102.2 Å²	102.2	33%	0.33	54%	0.544	S	S	.	.			trans	-88.4	114.4	-179.8	-175.7	-64.6	0	0	0	111.8	K352 P353 D361 G362 W364	K352-W356 WeakPolarHBondContact CE-O 3.16Å; K352-W356 HydrophobicContact CG-CB 4.27Å; K352-W356 PolarHBondContact NZ-O 3.02Å; P353-W356 HydrophobicContact CB-CB 4.41Å; P353-W356 WeakPolarHBondContact O-CB 3.39Å; P353-W356 PolarHBondContact O-N 3.31Å; W356-D361 HydrophobicContact CD2-CB 4.05Å; W356-D361 HydrophobicContact CG-CB 4.4Å; W356-D361 HydrophobicContact CH2-CB 4.45Å; W356-D361 HydrophobicContact CZ2-CB 3.86Å; W356-G362 PolarHBondContact NE1-O 3.38Å; W356-W364 HydrophobicContact CD2-CB 4.39Å; W356-W364 AromaticContact CD2-CD1 3.69Å; W356-W364 HydrophobicContact CD2-CG 4.43Å; W356-W364 AromaticContact CE2-CD1 3.87Å; W356-W364 AromaticContact CE3-CD1 3.81Å; W356-W364 HydrophobicContact CG-CB 4.46Å; W356-W364 HydrophobicContact CZ2-CB 4.49Å
357	D	89.5	Confident	88	Confident	86 Å²	86	104.3 Å²	104.3	46%	0.46	55%	0.552	S	S	.	*			trans	-98.3	119.3	-178.7	-167.8	-34.5	0	0	0	110.7	D359 M360 D361	D357-D359 PolarHBondContact O-N 3Å; D357-D359 WeakPolarHBondContact OD1-CB 3.14Å; D357-D359 PolarHBondContact OD1-N 3.03Å; D357-M360 HydrophobicContact CB-CB 4.26Å; D357-M360 PolarHBondContact O-N 2.98Å; D357-D361 PolarHBondContact N-OD2 2.89Å; D357-D361 WeakPolarHBondContact O-CA 3.37Å; D357-D361 VanDerWaalsContact O-CB 3.31Å; D357-D361 WeakPolarHBondContact O-CB 3.43Å; D357-D361 PolarHBondContact O-N 3.06Å
358	E	88.3	Confident	88.2	Confident	118 Å²	118	107.3 Å²	107.3	55%	0.551	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-19.3	-177.4	-76.3	163.3	-158	0	0	113.8	K352 G362	K352-E358 IonicContact NZ-OE1 3.36Å; K352-E358 PolarHBondContact NZ-OE1 2.84Å; E358-G362 WeakPolarHBondContact CA-O 3.47Å; E358-G362 WeakPolarHBondContact O-CA 3.32Å; E358-G362 PolarHBondContact O-N 3Å
359	D	88.4	Confident	88.3	Confident	151 Å²	151	104.2 Å²	104.2	81%	0.807	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-26.1	177.4	-162.6	59.5	0	0	0	112.1	D357	D357-D359 PolarHBondContact O-N 3Å; D357-D359 WeakPolarHBondContact OD1-CB 3.14Å; D357-D359 PolarHBondContact OD1-N 3.03Å
360	M	89.8	Confident	88.4	Confident	157 Å²	157	101.1 Å²	101.1	77%	0.773	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-42.7	-179.2	-68.2	-70.7	-156.8	0	0	113.5	D357	D357-M360 HydrophobicContact CB-CB 4.26Å; D357-M360 PolarHBondContact O-N 2.98Å
361	D	86	Confident	88.2	Confident	92 Å²	92	100.2 Å²	100.2	49%	0.492	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-14.1	-174.7	-53.2	-49.7	0	0	0	112.8	W356 D357	W356-D361 HydrophobicContact CD2-CB 4.05Å; W356-D361 HydrophobicContact CG-CB 4.4Å; W356-D361 HydrophobicContact CH2-CB 4.45Å; W356-D361 HydrophobicContact CZ2-CB 3.86Å; D357-D361 PolarHBondContact N-OD2 2.89Å; D357-D361 WeakPolarHBondContact O-CA 3.37Å; D357-D361 VanDerWaalsContact O-CB 3.31Å; D357-D361 WeakPolarHBondContact O-CB 3.43Å; D357-D361 PolarHBondContact O-N 3.06Å
362	G	88.5	Confident	88.1	Confident	29 Å²	29	97.1 Å²	97.1	30%	0.299	51%	0.512	S	S	.	.			trans	88.9	-176.7	179.6	0	0	0	0	0	114.9	W356 E358 W364	W356-G362 PolarHBondContact NE1-O 3.38Å; E358-G362 WeakPolarHBondContact CA-O 3.47Å; E358-G362 WeakPolarHBondContact O-CA 3.32Å; E358-G362 PolarHBondContact O-N 3Å; G362-W364 PolarHBondContact O-N 3.04Å
363	E	89.6	Confident	87.8	Confident	177 Å²	177	95.7 Å²	95.7	83%	0.827	51%	0.512	S	S	*	.	S	Bend	trans	-62.2	126.7	176.4	-68.4	-172.9	-171.8	0	0	110.4	E365	E363-E365 PolarHBondContact O-N 2.89Å
364	W	88.1	Confident	87.4	Confident	71 Å²	71	93.4 Å²	93.4	27%	0.269	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-76	116.5	-179.2	-179.6	81.5	0	0	0	111.2	A350 K352 W356 G362 A366	A350-W364 HydrophobicContact CB-CH2 4.09Å; A350-W364 HydrophobicContact CB-CZ2 4.25Å; K352-W364 HydrophobicContact CB-CD2 3.69Å; K352-W364 HydrophobicContact CB-CE3 3.85Å; K352-W364 HydrophobicContact CB-CG 4.07Å; K352-W364 HydrophobicContact CB-CZ2 4.4Å; K352-W364 HydrophobicContact CB-CZ3 4.27Å; K352-W364 HydrophobicContact CD-CB 3.9Å; K352-W364 HydrophobicContact CD-CG 4.14Å; K352-W364 HydrophobicContact CG-CB 3.99Å; K352-W364 HydrophobicContact CG-CD2 3.87Å; K352-W364 HydrophobicContact CG-CE3 4.38Å; K352-W364 HydrophobicContact CG-CG 3.67Å; W356-W364 HydrophobicContact CD2-CB 4.39Å; W356-W364 AromaticContact CD2-CD1 3.69Å; W356-W364 HydrophobicContact CD2-CG 4.43Å; W356-W364 AromaticContact CE2-CD1 3.87Å; W356-W364 AromaticContact CE3-CD1 3.81Å; W356-W364 HydrophobicContact CG-CB 4.46Å; W356-W364 HydrophobicContact CZ2-CB 4.49Å; G362-W364 PolarHBondContact O-N 3.04Å; W364-A366 HydrophobicContact CH2-CB 3.8Å; W364-A366 HydrophobicContact CZ2-CB 4.44Å; W364-A366 HydrophobicContact CZ3-CB 4.09Å
365	E	86.9	Confident	87	Confident	161 Å²	161	92.4 Å²	92.4	75%	0.752	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-100.6	137.2	170.1	-65.1	-169.6	163	0	0	111.1	E363	E363-E365 PolarHBondContact O-N 2.89Å
366	A	88.9	Confident	86.4	Confident	25 Å²	25	89.8 Å²	89.8	21%	0.207	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-67.2	141.2	176.7	0	0	0	0	0	111.3	A350 W364 Q368	A350-A366 HydrophobicContact CB-CB 4.42Å; W364-A366 HydrophobicContact CH2-CB 3.8Å; W364-A366 HydrophobicContact CZ2-CB 4.44Å; W364-A366 HydrophobicContact CZ3-CB 4.09Å; A366-Q368 PolarHBondContact O-N 2.87Å; A366-Q368 PolarHBondContact O-NE2 3.15Å
367	P	89.8	Confident	86.1	Confident	77 Å²	77	86.8 Å²	86.8	50%	0.5	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-51.1	135.4	173.6	-27.1	35.3	0	0	0	112.1	D347 A350 V369	D347-P367 WeakPolarHBondContact CB-O 3.46Å; D347-P367 PolarHBondContact N-O 2.89Å; A350-P367 HydrophobicContact CB-CG 4.45Å; P367-V369 PolarHBondContact O-N 3.27Å
368	Q	90.9	Very high	85.7	Confident	114 Å²	114	86.4 Å²	86.4	53%	0.533	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.4	-179.5	-64.6	-60.8	-61.4	0	0	110.3	I345 A366	I345-Q368 WeakPolarHBondContact O-CA 3.33Å; A366-Q368 PolarHBondContact O-N 2.87Å; A366-Q368 PolarHBondContact O-NE2 3.15Å
369	V	87.6	Confident	85.4	Confident	43 Å²	43	81.5 Å²	81.5	26%	0.261	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.4	175.6	-67.6	0	0	0	0	110.4	Y344 I345 D347 P367 N371	Y344-V369 CarbonylContact C-O 3.44Å; Y344-V369 VanDerWaalsContact CA-O 3.29Å; Y344-V369 WeakPolarHBondContact CA-O 3.27Å; I345-V369 HydrophobicContact CG1-CG2 4.06Å; I345-V369 PolarHBondContact N-O 2.84Å; I345-V369 WeakPolarHBondContact O-CG2 3.44Å; I345-V369 PolarHBondContact O-N 2.79Å; D347-V369 HydrophobicContact CB-CG1 3.86Å; D347-V369 HydrophobicContact CB-CG2 4.07Å; P367-V369 PolarHBondContact O-N 3.27Å; V369-N371 PolarHBondContact O-N 2.91Å
370	P	86.8	Confident	85.2	Confident	77 Å²	77	74.6 Å²	74.6	50%	0.5	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	133.4	177.2	25.8	-34.3	0	0	0	110	Y344 P372	Y344-P370 HydrophobicContact CE1-CB 4.46Å; P370-P372 WeakPolarHBondContact O-CD 3.25Å
371	N	84	Confident	84.9	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.064	39%	0.387	C	S	.	.			trans	-66.6	122.6	-177.9	176.4	-4.3	0	0	0	110.2	E341 A342 E343 I345 V369 A373 C374	E341-N371 PolarHBondContact OE2-ND2 2.84Å; E341-N371 VanDerWaalsContact OE2-ND2 3.08Å; A342-N371 WeakPolarHBondContact O-CB 3.38Å; A342-N371 PolarHBondContact O-ND2 2.82Å; E343-N371 PolarHBondContact O-N 3.25Å; I345-N371 HydrophobicContact CD1-CB 4.4Å; I345-N371 HydrophobicContact CG1-CB 4.3Å; I345-N371 HydrophobicContact CG2-CB 4.1Å; V369-N371 PolarHBondContact O-N 2.91Å; N371-A373 PolarHBondContact O-N 2.9Å; N371-A373 VanDerWaalsContact O-N 3.08Å; N371-A373 WeakPolarHBondContact OD1-CB 3.29Å; N371-A373 PolarHBondContact OD1-N 2.88Å; N371-A373 VanDerWaalsContact OD1-N 3.07Å; N371-C374 HydrophobicContact CB-CB 4.46Å; N371-C374 WeakPolarHBondContact O-CA 3.34Å; N371-C374 VanDerWaalsContact O-CB 3.22Å; N371-C374 WeakPolarHBondContact O-CB 3.48Å; N371-C374 PolarHBondContact O-N 2.79Å
372	P	84.9	Confident	84.8	Confident	85 Å²	85	68.1 Å²	68.1	55%	0.552	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.9	-178.4	-26.8	35.6	0	0	0	114.7	P370 C374	P370-P372 WeakPolarHBondContact O-CD 3.25Å; P372-C374 PolarHBondContact O-N 3.44Å
373	A	80.1	Confident	84.6	Confident	35 Å²	35	69.7 Å²	69.7	29%	0.289	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.5	172.5	0	0	0	0	0	111.7	N371 S376	N371-A373 PolarHBondContact O-N 2.9Å; N371-A373 VanDerWaalsContact O-N 3.08Å; N371-A373 WeakPolarHBondContact OD1-CB 3.29Å; N371-A373 PolarHBondContact OD1-N 2.88Å; N371-A373 VanDerWaalsContact OD1-N 3.07Å; A373-S376 PolarHBondContact O-N 2.82Å; A373-S376 PolarHBondContact O-OG 3.39Å
374	C	81.3	Confident	84.3	Confident	21 Å²	21	69.6 Å²	69.6	14%	0.142	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-76.5	-23.9	-174.7	-54.8	0	0	0	0	113.3	N371 P372 S376 A377 C380	N371-C374 HydrophobicContact CB-CB 4.46Å; N371-C374 WeakPolarHBondContact O-CA 3.34Å; N371-C374 VanDerWaalsContact O-CB 3.22Å; N371-C374 WeakPolarHBondContact O-CB 3.48Å; N371-C374 PolarHBondContact O-N 2.79Å; P372-C374 PolarHBondContact O-N 3.44Å; C374-S376 PolarHBondContact O-N 2.86Å; C374-A377 PolarHBondContact O-N 2.78Å; C374-A377 VanDerWaalsContact O-O 3.11Å; C374-C380 WeakPolarHBondContact CA-SG 3.37Å; C374-C380 HydrophobicContact CB-CB 3.8Å; C374-C380 WeakPolarHBondContact CB-SG 3.3Å; C374-C380 WeakPolarHBondContact SG-CB 3.29Å; C374-C380 CovalentContact SG-SG 2.01Å; C374-C380 PolarHBondContact SG-SG 2.87Å
375	E	79.4	Confident	84.3	Confident	161 Å²	161	71.5 Å²	71.5	75%	0.752	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.5	-25.5	170.6	-60.1	-171.7	159.3	0	0	112.5
376	S	77.6	Confident	84.3	Confident	107 Å²	107	67 Å²	67	75%	0.748	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-93	-6.3	-179.3	76.5	0	0	0	0	114.3	A373 C374	A373-S376 PolarHBondContact O-N 2.82Å; A373-S376 PolarHBondContact O-OG 3.39Å; C374-S376 PolarHBondContact O-N 2.86Å
377	A	80.8	Confident	84.4	Confident	24 Å²	24	70.3 Å²	70.3	20%	0.198	40%	0.395	C	S	.	.	S	Bend	trans	-118.5	164.3	-175.1	0	0	0	0	0	111.6	L338 C374 G379	L338-A377 HydrophobicContact CD1-CB 3.71Å; L338-A377 HydrophobicContact CG-CB 3.89Å; C374-A377 PolarHBondContact O-N 2.78Å; C374-A377 VanDerWaalsContact O-O 3.11Å; A377-G379 PolarHBondContact O-N 2.9Å
378	P	82.4	Confident	84.3	Confident	78 Å²	78	70 Å²	70	51%	0.506	39%	0.389	S	S	.	.	S	Bend	trans	-66.4	-13.5	174.6	-21.2	34.2	0	0	0	114.7	P334 G336	P334-P378 HydrophobicContact CB-CB 3.99Å; G336-P378 WeakPolarHBondContact O-CD 3.32Å
379	G	82.5	Confident	84.3	Confident	14 Å²	14	70.2 Å²	70.2	14%	0.144	39%	0.393	C	S	.	.			trans	159.7	169.1	179.6	0	0	0	0	0	112.1	L338 A377	L338-G379 PolarHBondContact N-O 2.58Å; A377-G379 PolarHBondContact O-N 2.9Å
380	C	82.9	Confident	84.3	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.047	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-136	166.8	-173.6	-81.7	0	0	0	0	112.6	W337 L338 E343 C374	W337-C380 VanDerWaalsContact CZ2-O 3.28Å; W337-C380 WeakPolarHBondContact CZ2-O 3.44Å; L338-C380 CarbonylContact O-C 3.51Å; L338-C380 WeakPolarHBondContact O-CA 3.35Å; E343-C380 HydrophobicContact CB-CB 4.38Å; C374-C380 WeakPolarHBondContact CA-SG 3.37Å; C374-C380 HydrophobicContact CB-CB 3.8Å; C374-C380 WeakPolarHBondContact CB-SG 3.3Å; C374-C380 WeakPolarHBondContact SG-CB 3.29Å; C374-C380 CovalentContact SG-SG 2.01Å; C374-C380 PolarHBondContact SG-SG 2.87Å
381	G	84.3	Confident	84.2	Confident	5 Å²	5	71.5 Å²	71.5	5%	0.052	40%	0.401	C	S	.	.	S	Bend	trans	74.2	-176.1	179.1	0	0	0	0	0	112.9	W337 L338 D339 E341 W383	W337-G381 PolarHBondContact NE1-O 3.02Å; L338-G381 PolarHBondContact O-N 2.85Å; D339-G381 WeakPolarHBondContact CA-O 3.39Å; E341-G381 VanDerWaalsContact O-CA 3.27Å; E341-G381 WeakPolarHBondContact O-CA 3.47Å; E341-G381 PolarHBondContact O-N 2.86Å; G381-W383 PolarHBondContact O-N 3.05Å
382	P	84.4	Confident	84.2	Confident	107 Å²	107	74.7 Å²	74.7	70%	0.695	42%	0.424	S	S	*	.	S	Bend	trans	-65.7	109.3	-178.5	26.5	-34.1	0	0	0	110.8	K384	P382-K384 PolarHBondContact O-N 3.04Å; P382-K384 VanDerWaalsContact O-N 3.15Å
383	W	84.3	Confident	84.2	Confident	62 Å²	62	75.9 Å²	75.9	24%	0.235	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-58	119	-178.6	179.3	73.7	0	0	0	111.8	A331 K333 W337 G381 R385	A331-W383 WeakPolarHBondContact O-CH2 3.46Å; K333-W383 HydrophobicContact CB-CD2 3.68Å; K333-W383 HydrophobicContact CB-CE3 3.78Å; K333-W383 HydrophobicContact CB-CG 4.27Å; K333-W383 HydrophobicContact CB-CH2 3.93Å; K333-W383 HydrophobicContact CB-CZ2 3.88Å; K333-W383 HydrophobicContact CB-CZ3 3.9Å; K333-W383 HydrophobicContact CD-CB 3.82Å; K333-W383 HydrophobicContact CD-CD2 3.9Å; K333-W383 HydrophobicContact CD-CE3 4.01Å; K333-W383 HydrophobicContact CD-CG 3.83Å; K333-W383 HydrophobicContact CG-CB 4.24Å; K333-W383 HydrophobicContact CG-CD2 3.71Å; K333-W383 HydrophobicContact CG-CE3 4.13Å; K333-W383 HydrophobicContact CG-CG 3.75Å; W337-W383 HydrophobicContact CD2-CB 4.32Å; W337-W383 AromaticContact CD2-CD1 3.9Å; W337-W383 HydrophobicContact CD2-CG 4.45Å; W337-W383 AromaticContact CE2-CD1 3.9Å; W337-W383 AromaticContact CE3-CD1 3.88Å; W337-W383 HydrophobicContact CG-CB 4.49Å; W337-W383 AromaticContact CH2-CD1 3.91Å; W337-W383 HydrophobicContact CZ2-CB 4.34Å; W337-W383 AromaticContact CZ2-CD1 3.91Å; W337-W383 AromaticContact CZ3-CD1 3.87Å; G381-W383 PolarHBondContact O-N 3.05Å; W383-R385 HydrophobicContact CE3-CG 4.44Å; W383-R385 HydrophobicContact CH2-CB 4.39Å; W383-R385 HydrophobicContact CH2-CG 3.41Å; W383-R385 VanDerWaalsContact CH2-CG 3.41Å; W383-R385 HydrophobicContact CZ2-CG 4.14Å; W383-R385 HydrophobicContact CZ3-CG 3.58Å
384	K	83.3	Confident	84.3	Confident	176 Å²	176	78.6 Å²	78.6	77%	0.765	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-97.8	133.9	170.3	-66.2	174.7	-175.1	168.9	0	108.6	P382	P382-K384 PolarHBondContact O-N 3.04Å; P382-K384 VanDerWaalsContact O-N 3.15Å
385	R	86.1	Confident	84.5	Confident	111 Å²	111	78 Å²	78	42%	0.419	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.7	138.2	169.9	-77.9	175	178.5	-97.3	3	109.1	P327 D328 E329 A331 W383	P327-R385 HydrophobicContact CB-CB 4.21Å; D328-R385 PolarHBondContact O-NH1 3.34Å; E329-R385 PolarHBondContact O-NH1 3.36Å; A331-R385 PolarHBondContact O-NH1 3.14Å; W383-R385 HydrophobicContact CE3-CG 4.44Å; W383-R385 HydrophobicContact CH2-CB 4.39Å; W383-R385 HydrophobicContact CH2-CG 3.41Å; W383-R385 VanDerWaalsContact CH2-CG 3.41Å; W383-R385 HydrophobicContact CZ2-CG 4.14Å; W383-R385 HydrophobicContact CZ3-CG 3.58Å
386	P	87.8	Confident	84.7	Confident	66 Å²	66	78.6 Å²	78.6	43%	0.429	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-60.6	145.3	169.5	27.8	-32.7	0	0	0	109.1	D328 A331	D328-P386 HydrophobicContact CB-CG 4.08Å; D328-P386 WeakPolarHBondContact CB-O 3.09Å; D328-P386 PolarHBondContact N-O 3.11Å; A331-P386 HydrophobicContact CB-CG 3.48Å; A331-P386 VanDerWaalsContact CB-CG 3.48Å
387	M	90.9	Very high	85.2	Confident	94 Å²	94	76.2 Å²	76.2	46%	0.463	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128	176.7	-59.4	-70.1	-72.4	0	0	107.9	Q325 I326 P327	Q325-M387 HydrophobicContact CB-CB 3.89Å; Q325-M387 HydrophobicContact CB-CE 4.13Å; Q325-M387 WeakPolarHBondContact O-CE 3.43Å; I326-M387 CarbonylContact O-C 3.58Å; I326-M387 WeakPolarHBondContact O-CA 3.18Å; P327-M387 HydrophobicContact CB-SD 4.17Å; P327-M387 HydrophobicContact CG-CE 4.38Å; P327-M387 HydrophobicContact CG-SD 3.85Å
388	I	88.5	Confident	85.4	Confident	71 Å²	71	82.7 Å²	82.7	36%	0.364	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	150.3	174.2	53.8	170.1	0	0	0	109.8	Q325 I326 D328 N390	Q325-I388 CarbonylContact C-O 3.53Å; Q325-I388 VanDerWaalsContact CA-O 3.23Å; Q325-I388 WeakPolarHBondContact CA-O 3.43Å; I326-I388 HydrophobicContact CG1-CG1 4Å; I326-I388 PolarHBondContact N-O 3.47Å; I326-I388 WeakPolarHBondContact O-CG1 3.49Å; I326-I388 PolarHBondContact O-N 3.35Å; D328-I388 HydrophobicContact CB-CD1 4.28Å; D328-I388 HydrophobicContact CB-CG1 4.18Å; D328-I388 HydrophobicContact CB-CG2 3.91Å; I388-N390 PolarHBondContact O-N 2.78Å
389	D	89.9	Confident	85.7	Confident	119 Å²	119	80.2 Å²	80.2	64%	0.636	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.4	178.8	-59.6	-35.3	0	0	0	110.3	Q325 P391	Q325-D389 PolarHBondContact NE2-OD1 3.04Å; D389-P391 VanDerWaalsContact O-CD 3.27Å; D389-P391 WeakPolarHBondContact O-CD 3.45Å
390	N	87.3	Confident	86	Confident	23 Å²	23	82.9 Å²	82.9	12%	0.123	42%	0.419	C	S	.	.			trans	-75.5	116.2	-175.8	177.8	0.9	0	0	0	110.3	P323 A324 I326 I388 S392 Y393	P323-N390 WeakPolarHBondContact O-CB 3.3Å; P323-N390 PolarHBondContact O-ND2 3.45Å; A324-N390 PolarHBondContact O-N 3.47Å; I326-N390 HydrophobicContact CD1-CB 4.4Å; I326-N390 HydrophobicContact CG1-CB 4.24Å; I326-N390 HydrophobicContact CG2-CB 4.08Å; I388-N390 PolarHBondContact O-N 2.78Å; N390-S392 PolarHBondContact O-N 3.04Å; N390-S392 WeakPolarHBondContact OD1-CB 3.29Å; N390-S392 PolarHBondContact OD1-N 2.77Å; N390-Y393 WeakPolarHBondContact O-CB 3.26Å; N390-Y393 PolarHBondContact O-N 2.76Å
391	P	85.3	Confident	86.5	Confident	123 Å²	123	87.7 Å²	87.7	80%	0.799	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.7	-178.7	-22.7	35.1	0	0	0	114.4	D389	D389-P391 VanDerWaalsContact O-CD 3.27Å; D389-P391 WeakPolarHBondContact O-CD 3.45Å
392	S	83.8	Confident	86.8	Confident	79 Å²	79	89.9 Å²	89.9	55%	0.552	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.2	176.8	-55.3	0	0	0	0	113.3	N390 K394	N390-S392 PolarHBondContact O-N 3.04Å; N390-S392 WeakPolarHBondContact OD1-CB 3.29Å; N390-S392 PolarHBondContact OD1-N 2.77Å; S392-K394 PolarHBondContact O-N 2.93Å
393	Y	85.9	Confident	87.2	Confident	111 Å²	111	90.6 Å²	90.6	44%	0.435	45%	0.452	S	S	.	.			trans	-74.4	117	179.7	179.6	-113.8	0	0	0	111.1	A322 A324 N390	A322-Y393 HydrophobicContact CB-CD2 4.5Å; A322-Y393 WeakPolarHBondContact O-CD2 3.08Å; A322-Y393 WeakPolarHBondContact O-CE2 3.38Å; A324-Y393 HydrophobicContact CB-CD1 3.8Å; A324-Y393 HydrophobicContact CB-CD2 4.33Å; A324-Y393 HydrophobicContact CB-CE1 3.61Å; A324-Y393 HydrophobicContact CB-CE2 4.16Å; A324-Y393 HydrophobicContact CB-CG 4.14Å; N390-Y393 WeakPolarHBondContact O-CB 3.26Å; N390-Y393 PolarHBondContact O-N 2.76Å
394	K	81.8	Confident	87.5	Confident	91 Å²	91	88.1 Å²	88.1	40%	0.396	44%	0.444	S	S	.	.			trans	-109.1	-6.7	176.5	-56.5	-174.2	-177.9	-165.9	0	112.9	D317 W318 S392	D317-K394 IonicContact OD2-NZ 3.92Å; D317-K394 PolarHBondContact OD2-NZ 2.87Å; W318-K394 HydrophobicContact CD2-CB 3.71Å; W318-K394 HydrophobicContact CD2-CD 3.87Å; W318-K394 HydrophobicContact CD2-CG 4.43Å; W318-K394 VanDerWaalsContact CE2-CB 3.41Å; W318-K394 HydrophobicContact CE3-CB 4.03Å; W318-K394 HydrophobicContact CE3-CD 3.64Å; W318-K394 HydrophobicContact CE3-CG 4.46Å; W318-K394 HydrophobicContact CG-CB 4.32Å; W318-K394 HydrophobicContact CG-CD 4.33Å; W318-K394 HydrophobicContact CH2-CB 3.89Å; W318-K394 HydrophobicContact CZ2-CB 3.56Å; W318-K394 WeakPolarHBondContact CZ2-O 3.3Å; W318-K394 HydrophobicContact CZ3-CB 4.1Å; W318-K394 HydrophobicContact CZ3-CD 4.08Å; S392-K394 PolarHBondContact O-N 2.93Å
395	G	84.7	Confident	87.8	Confident	10 Å²	10	85.3 Å²	85.3	10%	0.103	44%	0.444	C	S	.	.			trans	78.5	-165	-174.1	0	0	0	0	0	112.9	W318	W318-G395 PolarHBondContact NE1-O 3.15Å
396	K	85	Confident	88	Confident	173 Å²	173	85.4 Å²	85.4	75%	0.752	45%	0.452	S	S	*	.	S	Bend	trans	-77.3	131.1	173.8	-66.7	-171.6	178	-173.7	0	110.4	E320	E320-K396 WeakPolarHBondContact OE1-CA 3.46Å
397	W	86.5	Confident	88.2	Confident	56 Å²	56	87 Å²	87	21%	0.212	45%	0.45	C	S	.	.			trans	-69.8	137.2	178.6	-175.3	77.7	0	0	0	109.9	A312 K314 W318 E320 P399	A312-W397 HydrophobicContact CB-CH2 3.9Å; A312-W397 HydrophobicContact CB-CZ2 4.15Å; A312-W397 WeakPolarHBondContact O-CH2 3.27Å; K314-W397 HydrophobicContact CB-CD2 3.85Å; K314-W397 HydrophobicContact CB-CE3 3.69Å; K314-W397 HydrophobicContact CB-CG 4.26Å; K314-W397 HydrophobicContact CB-CZ3 4.17Å; K314-W397 HydrophobicContact CD-CB 4.33Å; K314-W397 HydrophobicContact CG-CB 3.98Å; K314-W397 HydrophobicContact CG-CD2 4.11Å; K314-W397 HydrophobicContact CG-CE3 4.3Å; K314-W397 HydrophobicContact CG-CG 3.96Å; W318-W397 HydrophobicContact CD2-CB 4.16Å; W318-W397 AromaticContact CD2-CD1 3.74Å; W318-W397 HydrophobicContact CD2-CG 4.34Å; W318-W397 AromaticContact CE2-CD1 3.98Å; W318-W397 AromaticContact CE3-CD1 3.86Å; W318-W397 HydrophobicContact CG-CB 4.1Å; W318-W397 HydrophobicContact CG-CG 4.47Å; W318-W397 HydrophobicContact CZ2-CB 4.42Å; E320-W397 PolarHBondContact OE1-N 2.89Å; W397-P399 HydrophobicContact CE3-CG 4.46Å; W397-P399 HydrophobicContact CH2-CB 3.96Å; W397-P399 HydrophobicContact CH2-CG 3.72Å; W397-P399 HydrophobicContact CZ3-CB 4.36Å; W397-P399 HydrophobicContact CZ3-CG 3.62Å
398	K	85.8	Confident	88	Confident	160 Å²	160	87 Å²	87	70%	0.696	45%	0.449	S	S	*	.			trans	-127	134.5	173.3	-66.4	-177.5	-179.9	179.5	0	108.1
399	P	88.4	Confident	88.1	Confident	26 Å²	26	84.6 Å²	84.6	17%	0.169	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-55.1	149.1	170.5	-23	31.3	0	0	0	111.5	Q308 A312 W397	Q308-P399 HydrophobicContact CB-CB 3.88Å; Q308-P399 HydrophobicContact CB-CG 4.05Å; Q308-P399 HydrophobicContact CG-CB 4.22Å; Q308-P399 HydrophobicContact CG-CG 4.3Å; A312-P399 HydrophobicContact CB-CB 4.21Å; W397-P399 HydrophobicContact CE3-CG 4.46Å; W397-P399 HydrophobicContact CH2-CB 3.96Å; W397-P399 HydrophobicContact CH2-CG 3.72Å; W397-P399 HydrophobicContact CZ3-CB 4.36Å; W397-P399 HydrophobicContact CZ3-CG 3.62Å
400	P	89.5	Confident	88.1	Confident	70 Å²	70	84.7 Å²	84.7	46%	0.455	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-60.4	151.4	167.5	28.5	-33.3	0	0	0	110.3	D309 A312	D309-P400 HydrophobicContact CB-CG 3.88Å; D309-P400 WeakPolarHBondContact CB-O 3.23Å; D309-P400 PolarHBondContact N-O 2.78Å; A312-P400 HydrophobicContact CB-CG 4.14Å
401	M	92.5	Very high	88.4	Confident	108 Å²	108	86 Å²	86	53%	0.532	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.7	175.7	-64	-65.1	-69.1	0	0	109.4	K306 I307 Q308	K306-M401 HydrophobicContact CB-CB 4.25Å; K306-M401 HydrophobicContact CB-CE 3.88Å; K306-M401 WeakPolarHBondContact O-CE 3.28Å; I307-M401 CarbonylContact O-C 3.52Å; I307-M401 WeakPolarHBondContact O-CA 3.34Å; Q308-M401 HydrophobicContact CB-SD 4.5Å; Q308-M401 HydrophobicContact CG-SD 3.66Å
402	V	91.8	Very high	88.6	Confident	51 Å²	51	87.3 Å²	87.3	31%	0.309	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.7	176	-66.6	0	0	0	0	110.4	K306 I307 D309 N404	K306-V402 CarbonylContact C-O 3.54Å; K306-V402 VanDerWaalsContact CA-O 3.23Å; K306-V402 WeakPolarHBondContact CA-O 3.24Å; I307-V402 HydrophobicContact CG1-CG2 4.12Å; I307-V402 PolarHBondContact N-O 2.68Å; I307-V402 PolarHBondContact O-N 2.81Å; D309-V402 HydrophobicContact CB-CG1 3.87Å; D309-V402 HydrophobicContact CB-CG2 4.1Å; V402-N404 PolarHBondContact O-N 2.9Å
403	D	92.7	Very high	89	Confident	122 Å²	122	84.9 Å²	84.9	65%	0.652	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	131.6	177.4	-59.2	-34.7	0	0	0	110	K306 P405	K306-D403 VanDerWaalsContact CE-OD1 3.28Å; K306-D403 WeakPolarHBondContact CE-OD1 3.3Å; D403-P405 VanDerWaalsContact O-CD 3.28Å; D403-P405 WeakPolarHBondContact O-CD 3.41Å
404	N	90.8	Very high	89.2	Confident	11 Å²	11	88 Å²	88	6%	0.059	43%	0.431	C	S	.	.			trans	-77.4	116.6	-172.1	-179.5	5	0	0	0	111.2	D302 R304 P305 I307 V402 N406 Y407	D302-N404 PolarHBondContact OD1-ND2 2.8Å; D302-N404 PolarHBondContact OD2-ND2 2.95Å; R304-N404 WeakPolarHBondContact O-CB 3.4Å; R304-N404 PolarHBondContact O-ND2 3.11Å; P305-N404 PolarHBondContact O-N 2.73Å; I307-N404 HydrophobicContact CD1-CB 4.35Å; I307-N404 HydrophobicContact CG1-CB 4.07Å; I307-N404 HydrophobicContact CG2-CB 3.98Å; V402-N404 PolarHBondContact O-N 2.9Å; N404-N406 PolarHBondContact O-N 3.45Å; N404-N406 VanDerWaalsContact O-N 3.1Å; N404-N406 PolarHBondContact OD1-N 3.5Å; N404-Y407 WeakPolarHBondContact O-CB 3.43Å; N404-Y407 PolarHBondContact O-N 2.93Å; N404-Y407 VanDerWaalsContact O-N 3.1Å
405	P	89.6	Confident	89.7	Confident	117 Å²	117	90.3 Å²	90.3	76%	0.76	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	179.7	-21.8	34.7	0	0	0	114.1	D403	D403-P405 VanDerWaalsContact O-CD 3.28Å; D403-P405 WeakPolarHBondContact O-CD 3.41Å
406	N	90.1	Very high	90	Very high	112 Å²	112	92.3 Å²	92.3	60%	0.599	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	7.5	180	-59.7	-38.5	0	0	0	113.2	N404 Q408	N404-N406 PolarHBondContact O-N 3.45Å; N404-N406 VanDerWaalsContact O-N 3.1Å; N404-N406 PolarHBondContact OD1-N 3.5Å; N406-Q408 PolarHBondContact O-N 3.47Å; N406-Q408 VanDerWaalsContact O-N 3.16Å
407	Y	91.4	Very high	90.3	Very high	100 Å²	100	89.2 Å²	89.2	39%	0.392	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-64	114.9	178.4	176.9	-124.2	0	0	0	110.8	D302 E303 P305 N404 G409	D302-Y407 WeakPolarHBondContact O-CA 2.91Å; E303-Y407 WeakPolarHBondContact O-CE2 3.36Å; P305-Y407 HydrophobicContact CB-CE1 4.35Å; P305-Y407 HydrophobicContact CB-CE2 4.34Å; N404-Y407 WeakPolarHBondContact O-CB 3.43Å; N404-Y407 PolarHBondContact O-N 2.93Å; N404-Y407 VanDerWaalsContact O-N 3.1Å; Y407-G409 VanDerWaalsContact CZ-CA 3.48Å
408	Q	87.1	Confident	90.4	Very high	95 Å²	95	87.5 Å²	87.5	44%	0.444	44%	0.441	S	S	.	.			trans	-97.3	2.2	-177.6	-74	169.2	80.7	0	0	112.9	D300 W301 D302 N406	D300-Q408 PolarHBondContact O-NE2 2.69Å; W301-Q408 HydrophobicContact CD2-CB 3.83Å; W301-Q408 VanDerWaalsContact CE2-CB 3.46Å; W301-Q408 HydrophobicContact CE3-CB 4.21Å; W301-Q408 HydrophobicContact CG-CB 4.4Å; W301-Q408 HydrophobicContact CH2-CB 4.01Å; W301-Q408 HydrophobicContact CZ2-CB 3.6Å; W301-Q408 WeakPolarHBondContact CZ2-O 3.44Å; W301-Q408 HydrophobicContact CZ3-CB 4.29Å; D302-Q408 PolarHBondContact O-N 3.12Å; D302-Q408 VanDerWaalsContact O-N 3.09Å; N406-Q408 PolarHBondContact O-N 3.47Å; N406-Q408 VanDerWaalsContact O-N 3.16Å
409	G	89.7	Confident	90.5	Very high	19 Å²	19	84.3 Å²	84.3	20%	0.196	44%	0.437	C	S	.	.			trans	93.2	173.5	-169	0	0	0	0	0	112	W301 Y407 W411	W301-G409 PolarHBondContact NE1-O 2.82Å; Y407-G409 VanDerWaalsContact CZ-CA 3.48Å; G409-W411 PolarHBondContact O-N 3.44Å
410	I	90.9	Very high	90.3	Very high	122 Å²	122	87.4 Å²	87.4	63%	0.626	45%	0.452	S	S	*	.	S	Bend	trans	-69	124.8	167.7	-58.2	172.2	0	0	0	107.6
411	W	92.4	Very high	90.1	Very high	50 Å²	50	88.2 Å²	88.2	19%	0.189	45%	0.446	C	S	.	.			trans	-66.6	144.3	179.5	-178.2	84.9	0	0	0	110.3	D295 K297 W301 E303 G409 P413	D295-W411 WeakPolarHBondContact O-CH2 3.5Å; K297-W411 HydrophobicContact CB-CD2 3.71Å; K297-W411 HydrophobicContact CB-CE3 3.71Å; K297-W411 HydrophobicContact CB-CG 4.1Å; K297-W411 HydrophobicContact CB-CZ3 4.15Å; K297-W411 HydrophobicContact CD-CB 4.21Å; K297-W411 HydrophobicContact CG-CB 3.94Å; K297-W411 HydrophobicContact CG-CD2 3.99Å; K297-W411 HydrophobicContact CG-CE3 4.3Å; K297-W411 HydrophobicContact CG-CG 3.81Å; W301-W411 HydrophobicContact CD2-CB 4.3Å; W301-W411 AromaticContact CD2-CD1 3.79Å; W301-W411 HydrophobicContact CD2-CG 4.44Å; W301-W411 AromaticContact CE2-CD1 4Å; W301-W411 HydrophobicContact CG-CB 4.14Å; W301-W411 HydrophobicContact CG-CG 4.47Å; E303-W411 VanDerWaalsContact OE1-CB 3.31Å; E303-W411 WeakPolarHBondContact OE1-CB 3.43Å; E303-W411 PolarHBondContact OE1-N 2.95Å; G409-W411 PolarHBondContact O-N 3.44Å; W411-P413 HydrophobicContact CH2-CB 3.84Å; W411-P413 HydrophobicContact CH2-CG 3.62Å; W411-P413 HydrophobicContact CZ2-CB 4.4Å; W411-P413 HydrophobicContact CZ3-CB 4.36Å; W411-P413 HydrophobicContact CZ3-CG 3.65Å
412	K	89.9	Confident	89.9	Confident	150 Å²	150	83.7 Å²	83.7	65%	0.652	42%	0.424	S	S	*	.			trans	-137.4	140.8	172.2	-63.1	-169.5	178.5	-169.8	0	108.9
413	P	92	Very high	89.7	Confident	29 Å²	29	87.4 Å²	87.4	19%	0.188	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-57.6	150.5	175.2	-16.9	26.6	0	0	0	111.2	E291 D295 W411	E291-P413 HydrophobicContact CB-CB 3.96Å; E291-P413 HydrophobicContact CB-CG 4.13Å; E291-P413 HydrophobicContact CG-CB 4.34Å; E291-P413 HydrophobicContact CG-CG 4.41Å; D295-P413 HydrophobicContact CB-CB 4.37Å; W411-P413 HydrophobicContact CH2-CB 3.84Å; W411-P413 HydrophobicContact CH2-CG 3.62Å; W411-P413 HydrophobicContact CZ2-CB 4.4Å; W411-P413 HydrophobicContact CZ3-CB 4.36Å; W411-P413 HydrophobicContact CZ3-CG 3.65Å
414	R	90.1	Very high	89.4	Confident	176 Å²	176	83.7 Å²	83.7	66%	0.664	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.3	145.5	173.6	-70.4	163.3	66.6	-157.3	-4.7	110.1	D292 D295	D292-R414 VanDerWaalsContact CB-O 3.26Å; D292-R414 WeakPolarHBondContact CB-O 3.23Å; D292-R414 PolarHBondContact N-O 2.94Å; D295-R414 VanDerWaalsContact OD2-CB 3.31Å; D295-R414 WeakPolarHBondContact OD2-CB 3.3Å; D295-R414 VanDerWaalsContact OD2-CD 3.3Å; D295-R414 WeakPolarHBondContact OD2-CD 3.24Å; D295-R414 WeakPolarHBondContact OD2-CG 3.41Å; D295-R414 PolarHBondContact OD2-N 3.12Å
415	K	92.4	Very high	89.3	Confident	140 Å²	140	88.2 Å²	88.2	61%	0.609	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.1	175.6	-67.4	-169.7	178.9	-170.4	0	110.6	E289 I290	E289-K415 HydrophobicContact CB-CB 4.25Å; E289-K415 HydrophobicContact CB-CD 4.39Å; E289-K415 WeakPolarHBondContact OE2-CD 3.13Å; I290-K415 CarbonylContact O-C 3.57Å; I290-K415 WeakPolarHBondContact O-CA 3.48Å
416	I	91.9	Very high	89.2	Confident	51 Å²	51	87.1 Å²	87.1	26%	0.262	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.3	175.3	56.3	168.5	0	0	0	110.4	E289 I290 D292 N418	E289-I416 CarbonylContact C-O 3.56Å; E289-I416 VanDerWaalsContact CA-O 3.3Å; E289-I416 WeakPolarHBondContact CA-O 3.45Å; I290-I416 HydrophobicContact CG1-CD1 4.37Å; I290-I416 HydrophobicContact CG1-CG1 3.91Å; I290-I416 PolarHBondContact N-O 3.48Å; I290-I416 PolarHBondContact O-N 3.4Å; D292-I416 HydrophobicContact CB-CD1 4.09Å; D292-I416 HydrophobicContact CB-CG1 4.1Å; D292-I416 HydrophobicContact CB-CG2 3.9Å; I416-N418 PolarHBondContact O-N 2.98Å
417	P	91.8	Very high	89.1	Confident	109 Å²	109	81.8 Å²	81.8	71%	0.708	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.8	176.3	26.9	-34.7	0	0	0	110.2	P419	P417-P419 WeakPolarHBondContact O-CD 3.35Å
418	N	88.3	Confident	89	Confident	20 Å²	20	77.2 Å²	77.2	11%	0.107	38%	0.38	C	S	.	.			trans	-71.5	118.8	-175.1	178	-1.3	0	0	0	111.2	P287 A288 I290 I416 D420 Y421	P287-N418 VanDerWaalsContact O-CB 3.28Å; P287-N418 WeakPolarHBondContact O-CB 3.38Å; P287-N418 PolarHBondContact O-ND2 2.78Å; A288-N418 PolarHBondContact O-N 2.87Å; I290-N418 HydrophobicContact CD1-CB 4.41Å; I290-N418 HydrophobicContact CG1-CB 4.17Å; I290-N418 HydrophobicContact CG2-CB 3.98Å; I416-N418 PolarHBondContact O-N 2.98Å; N418-D420 PolarHBondContact O-N 3.21Å; N418-D420 PolarHBondContact OD1-N 2.62Å; N418-Y421 VanDerWaalsContact O-CB 3.23Å; N418-Y421 WeakPolarHBondContact O-CB 3.38Å; N418-Y421 PolarHBondContact O-N 2.64Å; N418-Y421 VanDerWaalsContact O-N 3.14Å
419	P	86.2	Confident	89.2	Confident	92 Å²	92	78.3 Å²	78.3	60%	0.597	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.7	179.9	26.9	-34.8	0	0	0	112.7	K224 P417 Y421	K224-P419 PolarHBondContact NZ-O 2.82Å; P417-P419 WeakPolarHBondContact O-CD 3.35Å; P419-Y421 VanDerWaalsContact C-N 3.31Å
420	D	84.3	Confident	89.2	Confident	91 Å²	91	78.2 Å²	78.2	49%	0.487	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.3	179.8	-68.2	-47.8	0	0	0	113.2	N418 F422	N418-D420 PolarHBondContact O-N 3.21Å; N418-D420 PolarHBondContact OD1-N 2.62Å; D420-F422 PolarHBondContact O-N 2.83Å
421	Y	86.4	Confident	89.3	Confident	87 Å²	87	73.9 Å²	73.9	34%	0.341	36%	0.357	S	S	.	.			trans	-53.5	121.3	-179.9	176.8	-111.2	0	0	0	113.1	K224 P286 A288 N418 P419	K224-Y421 WeakPolarHBondContact CE-O 3.14Å; K224-Y421 PolarHBondContact NZ-O 3.39Å; P286-Y421 VanDerWaalsContact O-CD2 3.3Å; P286-Y421 WeakPolarHBondContact O-CD2 3.41Å; A288-Y421 VanDerWaalsContact CA-CD2 3.48Å; A288-Y421 HydrophobicContact CB-CD2 3.93Å; A288-Y421 HydrophobicContact CB-CE2 3.85Å; A288-Y421 HydrophobicContact CB-CG 4.33Å; N418-Y421 VanDerWaalsContact O-CB 3.23Å; N418-Y421 WeakPolarHBondContact O-CB 3.38Å; N418-Y421 PolarHBondContact O-N 2.64Å; N418-Y421 VanDerWaalsContact O-N 3.14Å; P419-Y421 VanDerWaalsContact C-N 3.31Å
422	F	88.1	Confident	89.4	Confident	13 Å²	13	73.4 Å²	73.4	6%	0.057	36%	0.361	C	S	.	.			trans	-133.4	158.4	170	68.4	-94.5	0	0	0	109.9	H220 N222 P223 K224 V284 P286 D420 D424	H220-F422 AromaticContact NE2-CE2 3.71Å; H220-F422 AromaticContact NE2-CZ 3.94Å; N222-F422 HydrophobicContact CB-CE1 4.32Å; N222-F422 WeakPolarHBondContact ND2-CE1 3.44Å; P223-F422 VanDerWaalsContact CD-CD2 3.49Å; P223-F422 VanDerWaalsContact CD-CE2 3.46Å; P223-F422 HydrophobicContact CG-CB 4.04Å; P223-F422 HydrophobicContact CG-CD1 4.39Å; P223-F422 HydrophobicContact CG-CD2 3.4Å; P223-F422 VanDerWaalsContact CG-CD2 3.4Å; P223-F422 HydrophobicContact CG-CE2 3.91Å; P223-F422 HydrophobicContact CG-CG 3.68Å; K224-F422 HydrophobicContact CD-CB 4.27Å; K224-F422 HydrophobicContact CG-CB 4.32Å; V284-F422 VanDerWaalsContact O-CZ 3.23Å; V284-F422 WeakPolarHBondContact O-CZ 3.5Å; P286-F422 VanDerWaalsContact CD-CE1 3.43Å; P286-F422 HydrophobicContact CG-CD1 3.82Å; P286-F422 HydrophobicContact CG-CE1 3.8Å; D420-F422 PolarHBondContact O-N 2.83Å; F422-D424 HydrophobicContact CE2-CB 4.46Å
423	E	87.3	Confident	89.6	Confident	130 Å²	130	66.3 Å²	66.3	61%	0.607	33%	0.33	S	S	*	.			trans	-122.3	108	176.2	-175.6	176	-141.5	0	0	108.4	L425	E423-L425 HydrophobicContact CG-CD2 3.88Å; E423-L425 HydrophobicContact CG-CG 4.3Å
424	D	87.1	Confident	89.8	Confident	43 Å²	43	66.1 Å²	66.1	23%	0.23	33%	0.329	C	S	.	.			trans	-100.5	135.2	160.5	-174.7	15.4	0	0	0	109.4	H220 L277 N285 F422 Q426 P427	H220-D424 IonicContact CE1-OD2 2.74Å; H220-D424 PolarHBondContact CE1-OD2 2.91Å; H220-D424 VanDerWaalsContact CE1-OD2 3.31Å; L277-D424 WeakPolarHBondContact CD2-O 3.48Å; N285-D424 PolarHBondContact ND2-O 2.99Å; N285-D424 PolarHBondContact OD1-N 3.48Å; N285-D424 PolarHBondContact OD1-O 3.18Å; F422-D424 HydrophobicContact CE2-CB 4.46Å; D424-Q426 PolarHBondContact OD1-N 2.61Å; D424-P427 WeakPolarHBondContact OD2-CA 3.48Å
425	L	87.8	Confident	90	Very high	107 Å²	107	57.8 Å²	57.8	56%	0.56	30%	0.298	S	S	*	.	S	Bend	trans	-107	-8.7	178.4	-59.4	178.1	0	0	0	112	N260 E423 P427	N260-L425 PolarHBondContact ND2-O 2.74Å; E423-L425 HydrophobicContact CG-CD2 3.88Å; E423-L425 HydrophobicContact CG-CG 4.3Å; L425-P427 VanDerWaalsContact C-CD 3.46Å
426	Q	87.7	Confident	90.2	Very high	93 Å²	93	51.1 Å²	51.1	44%	0.435	27%	0.269	S	S	.	.			trans	-132.5	55	-176.1	-55	-160.9	-64.1	0	0	112.9	D424 F428 K429	D424-Q426 PolarHBondContact OD1-N 2.61Å; Q426-F428 PolarHBondContact O-N 3.43Å; Q426-K429 HydrophobicContact CB-CD 4.18Å; Q426-K429 HydrophobicContact CB-CG 4.42Å; Q426-K429 WeakPolarHBondContact O-CB 3.44Å; Q426-K429 PolarHBondContact O-N 2.88Å
427	P	87.8	Confident	90.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.1	176.2	24.4	-36.2	0	0	0	114.1	F218 N260 L276 L277 V284 D424 L425 K429 M430	F218-P427 HydrophobicContact CE2-CB 4.38Å; F218-P427 HydrophobicContact CZ-CB 4.35Å; N260-P427 HydrophobicContact CB-CG 4.31Å; N260-P427 VanDerWaalsContact OD1-CD 3.23Å; N260-P427 WeakPolarHBondContact OD1-CD 3.38Å; N260-P427 WeakPolarHBondContact OD1-CG 3.43Å; L276-P427 HydrophobicContact CB-CB 4.35Å; L276-P427 HydrophobicContact CB-CG 3.87Å; L276-P427 HydrophobicContact CD1-CB 4.48Å; L276-P427 HydrophobicContact CD1-CG 4.36Å; L277-P427 HydrophobicContact CD2-CG 3.68Å; L277-P427 HydrophobicContact CG-CG 3.87Å; V284-P427 HydrophobicContact CG1-CB 4.04Å; V284-P427 HydrophobicContact CG2-CB 4.29Å; D424-P427 WeakPolarHBondContact OD2-CA 3.48Å; L425-P427 VanDerWaalsContact C-CD 3.46Å; P427-K429 PolarHBondContact O-N 3.13Å; P427-M430 WeakPolarHBondContact O-CG 3.38Å
428	F	90.1	Very high	90.5	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-32.2	168.6	-178.6	-101.8	0	0	0	113.1	F155 M158 V256 N257 A258 N260 L276 Q426 M430	F155-F428 HydrophobicContact CB-CD1 4.29Å; F155-F428 HydrophobicContact CB-CE1 3.97Å; F155-F428 HydrophobicContact CB-CZ 4.34Å; F155-F428 WeakPolarHBondContact CB-O 3.22Å; F155-F428 HydrophobicContact CD1-CD2 4.42Å; F155-F428 HydrophobicContact CD1-CE1 4.27Å; F155-F428 AromaticContact CD1-CE2 3.92Å; F155-F428 HydrophobicContact CD1-CE2 3.92Å; F155-F428 AromaticContact CD1-CZ 3.82Å; F155-F428 HydrophobicContact CD1-CZ 3.82Å; F155-F428 WeakPolarHBondContact CD1-O 3.47Å; F155-F428 WeakPolarHBondContact CG-O 3.5Å; M158-F428 WeakPolarHBondContact O-CZ 3.43Å; V256-F428 HydrophobicContact CB-CE2 4.37Å; V256-F428 HydrophobicContact CG1-CD2 3.85Å; V256-F428 HydrophobicContact CG1-CE2 3.97Å; N257-F428 WeakPolarHBondContact O-CD2 3.31Å; A258-F428 HydrophobicContact CB-CD1 4.03Å; A258-F428 HydrophobicContact CB-CE1 3.9Å; A258-F428 HydrophobicContact CB-CZ 4.32Å; N260-F428 VanDerWaalsContact OD1-CB 3.3Å; N260-F428 WeakPolarHBondContact OD1-CB 3.34Å; N260-F428 PolarHBondContact OD1-N 2.85Å; L276-F428 HydrophobicContact CD1-CB 4.43Å; Q426-F428 PolarHBondContact O-N 3.43Å; F428-M430 PolarHBondContact O-N 3.24Å
429	K	90.3	Very high	90.8	Very high	117 Å²	117	43.2 Å²	43.2	51%	0.509	22%	0.221	S	C	.	.			trans	-76.1	58.8	-179.2	-68.3	179.5	172.6	172.9	0	112.4	Q426 P427	Q426-K429 HydrophobicContact CB-CD 4.18Å; Q426-K429 HydrophobicContact CB-CG 4.42Å; Q426-K429 WeakPolarHBondContact O-CB 3.44Å; Q426-K429 PolarHBondContact O-N 2.88Å; P427-K429 PolarHBondContact O-N 3.13Å
430	M	90.6	Very high	91.1	Very high	18 Å²	18	38.8 Å²	38.8	9%	0.089	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-71.8	171.8	178.9	-53.8	-179.7	-167	0	0	111.6	F155 T200 I201 F218 L276 P427 F428	F155-M430 HydrophobicContact CD1-CB 4.49Å; F155-M430 HydrophobicContact CD2-CB 3.89Å; F155-M430 HydrophobicContact CE1-SD 4.35Å; F155-M430 HydrophobicContact CE2-CB 4Å; F155-M430 HydrophobicContact CG-CB 4.16Å; F155-M430 HydrophobicContact CZ-CB 4.34Å; F155-M430 HydrophobicContact CZ-SD 4.46Å; T200-M430 HydrophobicContact CG2-CB 3.64Å; T200-M430 HydrophobicContact CG2-CG 4.5Å; T200-M430 HydrophobicContact CG2-SD 4.19Å; I201-M430 HydrophobicContact CD1-SD 4.14Å; I201-M430 HydrophobicContact CG1-SD 4.08Å; F218-M430 HydrophobicContact CB-CE 3.91Å; F218-M430 HydrophobicContact CB-SD 3.71Å; F218-M430 HydrophobicContact CD1-CE 4.08Å; F218-M430 HydrophobicContact CD2-CE 3.4Å; F218-M430 VanDerWaalsContact CD2-CE 3.4Å; F218-M430 HydrophobicContact CD2-CG 4.21Å; F218-M430 HydrophobicContact CD2-SD 3.66Å; F218-M430 HydrophobicContact CE1-CE 4.43Å; F218-M430 HydrophobicContact CE2-CE 3.82Å; F218-M430 HydrophobicContact CG-CE 3.53Å; F218-M430 HydrophobicContact CG-SD 3.89Å; F218-M430 HydrophobicContact CZ-CE 4.32Å; L276-M430 HydrophobicContact CD1-CE 3.71Å; L276-M430 HydrophobicContact CD2-CE 4.42Å; P427-M430 WeakPolarHBondContact O-CG 3.38Å; F428-M430 PolarHBondContact O-N 3.24Å
431	T	92.5	Very high	91.3	Very high	31 Å²	31	39.2 Å²	39.2	19%	0.19	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-62	134.2	171.5	42.7	0	0	0	0	111.1	F155 T200 Y228	F155-T431 WeakPolarHBondContact CE2-O 3.44Å; T200-T431 WeakPolarHBondContact CG2-O 3.39Å; T200-T431 PolarHBondContact OG1-O 3.26Å; T200-T431 PolarHBondContact OG1-OG1 2.79Å; Y228-T431 HydrophobicContact CE1-CG2 3.76Å; Y228-T431 WeakPolarHBondContact OH-CG2 3.31Å
432	P	94.5	Very high	91.4	Very high	40 Å²	40	35 Å²	35	26%	0.26	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-57.4	157.6	173.5	24.2	-32.5	0	0	0	111.6	F153 T154 S183 E184	F153-P432 WeakPolarHBondContact O-CA 2.98Å; F153-P432 WeakPolarHBondContact O-CB 3.47Å; T154-P432 HydrophobicContact CG2-CB 4.12Å; S183-P432 WeakPolarHBondContact CA-O 3.16Å; E184-P432 HydrophobicContact CB-CB 4.28Å; E184-P432 HydrophobicContact CB-CG 4.16Å; E184-P432 PolarHBondContact N-O 2.05Å
433	F	95.4	Very high	91.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.8	177.7	69.4	-89.6	0	0	0	111	L149 P152 F153 F155 L160 L181 L182 I454	L149-F433 HydrophobicContact CD1-CD2 4.41Å; L149-F433 HydrophobicContact CD1-CE2 4.36Å; L149-F433 HydrophobicContact CD2-CD2 3.82Å; L149-F433 HydrophobicContact CD2-CE2 3.46Å; L149-F433 VanDerWaalsContact CD2-CE2 3.46Å; L149-F433 HydrophobicContact CD2-CZ 4.35Å; P152-F433 WeakPolarHBondContact CA-O 3.29Å; F153-F433 HydrophobicContact CB-CD1 3.97Å; F153-F433 HydrophobicContact CB-CD2 4.5Å; F153-F433 HydrophobicContact CB-CE1 3.46Å; F153-F433 VanDerWaalsContact CB-CE1 3.46Å; F153-F433 HydrophobicContact CB-CE2 4.06Å; F153-F433 HydrophobicContact CB-CG 4.45Å; F153-F433 HydrophobicContact CB-CZ 3.51Å; F153-F433 HydrophobicContact CD1-CD1 4.18Å; F153-F433 AromaticContact CD1-CE1 3.45Å; F153-F433 HydrophobicContact CD1-CE1 3.45Å; F153-F433 VanDerWaalsContact CD1-CE1 3.45Å; F153-F433 HydrophobicContact CD1-CZ 4.11Å; F153-F433 HydrophobicContact CD2-CZ 4.45Å; F153-F433 HydrophobicContact CE1-CE1 4.38Å; F153-F433 HydrophobicContact CG-CD1 4.41Å; F153-F433 AromaticContact CG-CE1 3.58Å; F153-F433 HydrophobicContact CG-CE1 3.58Å; F153-F433 AromaticContact CG-CZ 3.78Å; F153-F433 HydrophobicContact CG-CZ 3.78Å; F153-F433 PolarHBondContact N-O 2.89Å; F153-F433 PolarHBondContact O-N 2.82Å; F155-F433 AromaticContact CE2-CD1 3.77Å; F155-F433 HydrophobicContact CE2-CD1 3.77Å; F155-F433 HydrophobicContact CE2-CE1 4.09Å; F155-F433 AromaticContact CZ-CD1 3.88Å; F155-F433 HydrophobicContact CZ-CD1 3.88Å; F155-F433 AromaticContact CZ-CE1 3.82Å; F155-F433 HydrophobicContact CZ-CE1 3.82Å; L160-F433 HydrophobicContact CD1-CE1 4.07Å; L160-F433 HydrophobicContact CD1-CZ 3.8Å; L160-F433 HydrophobicContact CD2-CE1 3.84Å; L160-F433 HydrophobicContact CD2-CZ 4.24Å; L181-F433 HydrophobicContact CB-CB 4.17Å; L181-F433 HydrophobicContact CB-CD1 4.39Å; L181-F433 HydrophobicContact CB-CD2 3.83Å; L181-F433 HydrophobicContact CB-CE2 4.27Å; L181-F433 HydrophobicContact CB-CG 3.89Å; L181-F433 HydrophobicContact CD1-CD1 4Å; L181-F433 HydrophobicContact CD1-CD2 3.97Å; L181-F433 HydrophobicContact CD1-CE1 3.64Å; L181-F433 HydrophobicContact CD1-CE2 3.61Å; L181-F433 HydrophobicContact CD1-CG 4.16Å; L181-F433 HydrophobicContact CD1-CZ 3.45Å; L181-F433 VanDerWaalsContact CD1-CZ 3.45Å; L181-F433 HydrophobicContact CD2-CD2 4.01Å; L181-F433 HydrophobicContact CD2-CE2 3.75Å; L181-F433 HydrophobicContact CD2-CZ 4.4Å; L181-F433 HydrophobicContact CG-CD2 4.15Å; L181-F433 HydrophobicContact CG-CE2 4.08Å; L181-F433 HydrophobicContact CG-CZ 4.41Å; L182-F433 VanDerWaalsContact O-CA 3.29Å; L182-F433 WeakPolarHBondContact O-CA 3.33Å; L182-F433 VanDerWaalsContact O-CB 3.25Å; L182-F433 WeakPolarHBondContact O-CB 3.08Å; F433-I454 HydrophobicContact CE2-CD1 4.15Å; F433-I454 HydrophobicContact CZ-CG2 4.21Å
434	S	95.1	Very high	91.5	Very high	25 Å²	25	32.3 Å²	32.3	18%	0.175	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-5.7	-171.3	57.6	0	0	0	0	114.6	L149 L182 L188	L149-S434 PolarHBondContact N-O 3.02Å; L182-S434 PolarHBondContact O-N 3.49Å; L188-S434 VanDerWaalsContact CD2-OG 3.26Å; L188-S434 WeakPolarHBondContact CD2-OG 3.23Å
435	A	95.5	Very high	91.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.1	172.4	0	0	0	0	0	111.5	A147 L182 L188 L190	A147-A435 CarbonylContact O-C 3.58Å; A147-A435 VanDerWaalsContact O-CA 3.28Å; A147-A435 WeakPolarHBondContact O-CA 3.22Å; A147-A435 WeakPolarHBondContact O-CB 3.41Å; L182-A435 HydrophobicContact CB-CB 4.2Å; L182-A435 HydrophobicContact CD1-CB 4.14Å; L182-A435 HydrophobicContact CG-CB 4.39Å; L182-A435 PolarHBondContact N-O 3.2Å; L188-A435 HydrophobicContact CD2-CB 4.33Å; L190-A435 HydrophobicContact CD1-CB 4.41Å; L190-A435 HydrophobicContact CD2-CB 3.68Å
436	L	96.1	Very high	91.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.8	166.7	175.9	148	0	0	0	108.3	W97 S146 A147 L149 V179 L181 F452 I454	W97-L436 HydrophobicContact CH2-CD2 3.62Å; W97-L436 HydrophobicContact CZ3-CD2 3.94Å; S146-L436 CarbonylContact C-O 3.44Å; S146-L436 WeakPolarHBondContact CA-O 3.49Å; S146-L436 VanDerWaalsContact CB-O 3.3Å; S146-L436 WeakPolarHBondContact CB-O 3.23Å; A147-L436 PolarHBondContact N-O 3.46Å; A147-L436 PolarHBondContact O-N 3.12Å; L149-L436 HydrophobicContact CD1-CB 4.39Å; V179-L436 HydrophobicContact CB-CD1 4.4Å; V179-L436 HydrophobicContact CG1-CD1 4.17Å; V179-L436 HydrophobicContact CG1-CD2 4.44Å; V179-L436 HydrophobicContact CG1-CG 4.44Å; L181-L436 HydrophobicContact CD2-CB 4.36Å; L181-L436 HydrophobicContact CD2-CD1 4.32Å; L181-L436 HydrophobicContact CD2-CG 4.48Å; L436-F452 HydrophobicContact CD1-CD1 4.05Å; L436-F452 HydrophobicContact CD2-CD1 4.33Å; L436-F452 HydrophobicContact CD2-CE1 4.42Å; L436-I454 HydrophobicContact CD1-CD1 4.07Å
437	G	95.3	Very high	92.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143	179.5	0	0	0	0	0	112.3	I145 K180	I145-G437 WeakPolarHBondContact O-CA 3.29Å; K180-G437 PolarHBondContact N-O 3.26Å; K180-G437 PolarHBondContact O-N 2.91Å
438	L	95.3	Very high	92.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.6	169.4	-64.4	162.4	0	0	0	106.8	W97 W118 L134 A144 I145 V179 L440 F449 F452	W97-L438 HydrophobicContact CH2-CD1 4.38Å; W97-L438 HydrophobicContact CZ3-CD1 4.08Å; W118-L438 HydrophobicContact CH2-CB 4.01Å; W118-L438 HydrophobicContact CH2-CD1 3.94Å; W118-L438 HydrophobicContact CZ2-CB 4.22Å; W118-L438 HydrophobicContact CZ3-CD1 4.32Å; L134-L438 HydrophobicContact CD2-CD1 3.55Å; A144-L438 VanDerWaalsContact CA-O 3.29Å; A144-L438 WeakPolarHBondContact CA-O 3.23Å; I145-L438 HydrophobicContact CG2-CB 4.04Å; I145-L438 HydrophobicContact CG2-CD1 4Å; I145-L438 PolarHBondContact N-O 2.78Å; I145-L438 PolarHBondContact O-N 2.96Å; V179-L438 HydrophobicContact CG1-CD2 3.72Å; L438-L440 HydrophobicContact CB-CD1 4.4Å; L438-L440 HydrophobicContact CD2-CD1 4.43Å; L438-F449 HydrophobicContact CD2-CD1 4.29Å; L438-F449 HydrophobicContact CD2-CE1 4.14Å; L438-F452 HydrophobicContact CD1-CE2 4.49Å; L438-F452 HydrophobicContact CD1-CZ 3.86Å; L438-F452 HydrophobicContact CD2-CE1 4.37Å; L438-F452 HydrophobicContact CD2-CZ 4.25Å; L438-F452 HydrophobicContact CG-CZ 4.48Å
439	E	93.1	Very high	92.7	Very high	13 Å²	13	22.9 Å²	22.9	6%	0.061	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	103	173.2	-169.2	-96.9	156.4	0	0	108.1	Y114 H143 A144 Y178 K180 F193	Y114-E439 HydrophobicContact CE1-CG 3.58Å; Y114-E439 WeakPolarHBondContact CE1-OE1 3.13Å; Y114-E439 PolarHBondContact OH-OE1 3.36Å; H143-E439 CarbonylContact O-C 3.54Å; H143-E439 WeakPolarHBondContact O-CA 3.23Å; A144-E439 HydrophobicContact CB-CG 4.31Å; Y178-E439 VanDerWaalsContact CE2-O 3.29Å; Y178-E439 WeakPolarHBondContact CE2-O 3.46Å; K180-E439 HydrophobicContact CD-CB 4.39Å; K180-E439 IonicContact NZ-OE2 2.64Å; K180-E439 PolarHBondContact NZ-OE2 2.81Å; F193-E439 HydrophobicContact CE1-CB 3.75Å; F193-E439 HydrophobicContact CE2-CB 4.18Å; F193-E439 HydrophobicContact CZ-CB 3.5Å; F193-E439 HydrophobicContact CZ-CG 4.46Å
440	L	92.7	Very high	92.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.5	-162.2	-59.7	178.3	0	0	0	111.3	W118 L136 H142 H143 Y178 L438 F449	W118-L440 HydrophobicContact CH2-CD1 4.26Å; L136-L440 HydrophobicContact CD1-CB 4.37Å; L136-L440 HydrophobicContact CD1-CD1 4.25Å; H142-L440 CarbonylContact C-O 3.55Å; H142-L440 WeakPolarHBondContact CA-O 3.44Å; H143-L440 PolarHBondContact N-O 2.92Å; H143-L440 PolarHBondContact O-N 2.83Å; Y178-L440 HydrophobicContact CD1-CD2 4.26Å; Y178-L440 HydrophobicContact CD2-CD2 3.81Å; Y178-L440 HydrophobicContact CE1-CD2 4.24Å; Y178-L440 HydrophobicContact CE2-CD2 3.74Å; Y178-L440 HydrophobicContact CG-CD2 4.08Å; Y178-L440 WeakPolarHBondContact O-CD2 3.48Å; L438-L440 HydrophobicContact CB-CD1 4.4Å; L438-L440 HydrophobicContact CD2-CD1 4.43Å; L440-F449 HydrophobicContact CD1-CE1 4.18Å; L440-F449 HydrophobicContact CD1-CE2 4.07Å; L440-F449 HydrophobicContact CD1-CZ 3.43Å; L440-F449 VanDerWaalsContact CD1-CZ 3.43Å
441	W	89.6	Confident	93	Very high	99 Å²	99	16.4 Å²	16.4	38%	0.375	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136	160	175.8	-103.5	0	0	0	109.1	A140 K141 H142 G175 G176 M443	A140-W441 VanDerWaalsContact C-CH2 3.41Å; A140-W441 HydrophobicContact CB-CH2 4.4Å; A140-W441 HydrophobicContact CB-CZ2 4.45Å; A140-W441 VanDerWaalsContact O-CH2 3.25Å; A140-W441 WeakPolarHBondContact O-CH2 3.47Å; K141-W441 VanDerWaalsContact C-CZ3 3.5Å; K141-W441 VanDerWaalsContact CA-CZ3 3.48Å; H142-W441 HydrophobicContact CB-CE3 4.38Å; H142-W441 AromaticContact CD2-CE3 3.65Å; H142-W441 AromaticContact CE1-CE3 3.32Å; H142-W441 AromaticContact CE1-CZ3 3.5Å; H142-W441 AromaticContact CG-CE3 3.57Å; H142-W441 AromaticContact ND1-CE3 3.4Å; H142-W441 AromaticContact ND1-CZ3 3.49Å; H142-W441 WeakPolarHBondContact ND1-CZ3 3.28Å; H142-W441 AromaticContact NE2-CE3 3.5Å; G175-W441 WeakPolarHBondContact CA-O 3.36Å; G176-W441 PolarHBondContact N-O 3.45Å; G176-W441 VanDerWaalsContact N-O 3.11Å; W441-M443 HydrophobicContact CZ2-SD 4.19Å
442	S	88.4	Confident	93.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	135.8	174	-176.6	0	0	0	0	113.2	A140 T444	A140-S442 VanDerWaalsContact CA-O 3.23Å; A140-S442 WeakPolarHBondContact CA-O 3.37Å; A140-S442 PolarHBondContact N-O 3.19Å; S442-T444 PolarHBondContact OG-N 2.66Å; S442-T444 PolarHBondContact OG-O 3.14Å; S442-T444 PolarHBondContact OG-OG1 2.88Å
443	M	89.8	Confident	93.2	Very high	74 Å²	74	13.2 Å²	13.2	37%	0.365	7%	0.066	S	C	.	.	S	Bend	trans	-85.8	-2.8	169.4	-69	-67.6	-72.5	0	0	113.2	R139 A140 C174 W441	R139-M443 VanDerWaalsContact CG-O 3.23Å; R139-M443 WeakPolarHBondContact CG-O 3.47Å; R139-M443 PolarHBondContact NE-O 3.03Å; A140-M443 HydrophobicContact CB-SD 3.69Å; C174-M443 HydrophobicContact CB-CB 4.45Å; C174-M443 HydrophobicContact CB-CG 4.34Å; C174-M443 VanDerWaalsContact O-CB 3.29Å; C174-M443 WeakPolarHBondContact O-CB 3.43Å; C174-M443 PolarHBondContact O-N 2.74Å; W441-M443 HydrophobicContact CZ2-SD 4.19Å
444	T	87.8	Confident	93.3	Very high	12 Å²	12	13.3 Å²	13.3	7%	0.074	7%	0.067	C	C	.	.	S	Bend	trans	-124	149.8	174.1	58.7	0	0	0	0	111.7	D173 S442	D173-T444 HydrophobicContact CB-CG2 4.17Å; S442-T444 PolarHBondContact OG-N 2.66Å; S442-T444 PolarHBondContact OG-O 3.14Å; S442-T444 PolarHBondContact OG-OG1 2.88Å
445	S	90.1	Very high	93.3	Very high	32 Å²	32	12.1 Å²	12.1	22%	0.224	6%	0.058	C	C	.	.	S	Bend	trans	-102.5	167.1	175.4	61.7	0	0	0	0	111.5	K137 S170	K137-S445 WeakPolarHBondContact O-CB 3.49Å; S170-S445 PolarHBondContact OG-O 3.21Å
446	D	91.6	Very high	93.2	Very high	16 Å²	16	13.2 Å²	13.2	9%	0.086	6%	0.064	C	C	.	.			trans	69.7	34.2	177.2	-43.1	-72.5	0	0	0	113.8	K124 V135 L136 K137 Q169 S170 F448	K124-D446 VanDerWaalsContact CE-CG 3.48Å; K124-D446 IonicContact NZ-OD1 4Å; K124-D446 IonicContact NZ-OD2 2.61Å; K124-D446 PolarHBondContact NZ-OD2 2.87Å; V135-D446 HydrophobicContact CG1-CB 4.34Å; L136-D446 WeakPolarHBondContact O-CA 3.43Å; L136-D446 PolarHBondContact O-N 3.38Å; K137-D446 WeakPolarHBondContact CE-OD1 3.49Å; K137-D446 IonicContact NZ-OD1 2.68Å; K137-D446 PolarHBondContact NZ-OD1 3.37Å; Q169-D446 HydrophobicContact CB-CB 4.42Å; Q169-D446 WeakPolarHBondContact CB-O 3.09Å; Q169-D446 WeakPolarHBondContact CG-O 3.48Å; Q169-D446 PolarHBondContact NE2-O 2.7Å; S170-D446 PolarHBondContact OG-OD2 3.24Å; D446-F448 PolarHBondContact O-N 3.39Å
447	I	93.8	Very high	93.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.8	161.6	-48.3	179.6	0	0	0	107.2	V135 L136 V166 F168 I172 A177 F449	V135-I447 WeakPolarHBondContact CA-O 3.25Å; L136-I447 HydrophobicContact CB-CB 4.25Å; L136-I447 PolarHBondContact N-O 3.4Å; V166-I447 HydrophobicContact CG1-CG2 3.9Å; F168-I447 HydrophobicContact CD1-CD1 4.36Å; F168-I447 HydrophobicContact CD1-CG1 4.15Å; F168-I447 HydrophobicContact CD1-CG2 3.93Å; F168-I447 HydrophobicContact CE1-CD1 4.31Å; F168-I447 HydrophobicContact CE1-CG2 3.96Å; I172-I447 HydrophobicContact CD1-CD1 3.94Å; A177-I447 HydrophobicContact CB-CG2 4.14Å; I447-F449 HydrophobicContact CB-CE2 3.96Å; I447-F449 HydrophobicContact CB-CZ 4.44Å; I447-F449 HydrophobicContact CG2-CD2 4.22Å; I447-F449 HydrophobicContact CG2-CE1 4.44Å; I447-F449 HydrophobicContact CG2-CE2 3.5Å; I447-F449 HydrophobicContact CG2-CZ 3.62Å
448	F	94.2	Very high	92.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.8	-179.2	178.7	-82.3	0	0	0	108.9	E121 M123 G133 V135 V166 N167 Q169 D446 D450	E121-F448 WeakPolarHBondContact O-CE2 3.31Å; M123-F448 HydrophobicContact CB-CE2 4.43Å; M123-F448 HydrophobicContact CE-CE1 4.14Å; M123-F448 HydrophobicContact CE-CZ 4.15Å; M123-F448 HydrophobicContact CG-CD1 3.96Å; M123-F448 HydrophobicContact CG-CD2 3.5Å; M123-F448 VanDerWaalsContact CG-CD2 3.5Å; M123-F448 HydrophobicContact CG-CE1 3.84Å; M123-F448 HydrophobicContact CG-CE2 3.4Å; M123-F448 HydrophobicContact CG-CG 3.81Å; M123-F448 HydrophobicContact CG-CZ 3.58Å; M123-F448 HydrophobicContact SD-CD1 4.17Å; M123-F448 HydrophobicContact SD-CE1 4.01Å; M123-F448 HydrophobicContact SD-CZ 4.25Å; G133-F448 VanDerWaalsContact CA-CZ 3.45Å; G133-F448 VanDerWaalsContact N-CZ 3.27Å; V135-F448 HydrophobicContact CG2-CB 4.29Å; V135-F448 HydrophobicContact CG2-CD2 3.52Å; V135-F448 HydrophobicContact CG2-CE2 4.3Å; V135-F448 HydrophobicContact CG2-CG 4.28Å; V166-F448 WeakPolarHBondContact CA-O 3.22Å; N167-F448 HydrophobicContact CB-CB 4.19Å; N167-F448 HydrophobicContact CB-CD1 4.38Å; N167-F448 PolarHBondContact N-O 2.72Å; N167-F448 PolarHBondContact O-N 3.17Å; Q169-F448 HydrophobicContact CG-CB 4.37Å; D446-F448 PolarHBondContact O-N 3.39Å; F448-D450 HydrophobicContact CD1-CB 4.32Å; F448-D450 HydrophobicContact CE1-CB 3.66Å; F448-D450 WeakPolarHBondContact CE1-OD2 3.3Å; F448-D450 HydrophobicContact CZ-CB 4.36Å
449	F	95.6	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.1	178.9	-63.7	-93.5	0	0	0	109.9	W118 G133 L134 L136 Y164 E165 V166 A177 L438 L440 I447 F452	W118-F449 HydrophobicContact CH2-CE2 4.4Å; W118-F449 HydrophobicContact CZ3-CD2 4.07Å; W118-F449 HydrophobicContact CZ3-CE2 4.06Å; G133-F449 CarbonylContact C-O 3.53Å; G133-F449 WeakPolarHBondContact CA-O 3.25Å; L134-F449 HydrophobicContact CB-CB 4.31Å; L134-F449 PolarHBondContact N-O 3.23Å; L134-F449 PolarHBondContact O-N 3.23Å; L136-F449 HydrophobicContact CB-CE2 4.43Å; Y164-F449 HydrophobicContact CD2-CD1 4.29Å; Y164-F449 HydrophobicContact CE2-CD1 4.11Å; Y164-F449 HydrophobicContact CE2-CE1 4.35Å; E165-F449 WeakPolarHBondContact O-CA 3.5Å; V166-F449 HydrophobicContact CG2-CD1 4Å; V166-F449 HydrophobicContact CG2-CE1 4.08Å; A177-F449 HydrophobicContact CB-CE1 3.64Å; A177-F449 HydrophobicContact CB-CZ 3.62Å; L438-F449 HydrophobicContact CD2-CD1 4.29Å; L438-F449 HydrophobicContact CD2-CE1 4.14Å; L440-F449 HydrophobicContact CD1-CE1 4.18Å; L440-F449 HydrophobicContact CD1-CE2 4.07Å; L440-F449 HydrophobicContact CD1-CZ 3.43Å; L440-F449 VanDerWaalsContact CD1-CZ 3.43Å; I447-F449 HydrophobicContact CB-CE2 3.96Å; I447-F449 HydrophobicContact CB-CZ 4.44Å; I447-F449 HydrophobicContact CG2-CD2 4.22Å; I447-F449 HydrophobicContact CG2-CE1 4.44Å; I447-F449 HydrophobicContact CG2-CE2 3.5Å; I447-F449 HydrophobicContact CG2-CZ 3.62Å; F449-F452 HydrophobicContact CB-CE2 3.95Å; F449-F452 HydrophobicContact CB-CZ 3.72Å; F449-F452 HydrophobicContact CD1-CZ 4.17Å; F449-F452 HydrophobicContact CG-CZ 4.29Å
450	D	93.9	Very high	92.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	170.2	-175.8	-147.4	-6.7	0	0	0	113.6	E165 F448 F452 K472	E165-D450 HydrophobicContact CB-CB 4.13Å; E165-D450 PolarHBondContact N-O 2.88Å; E165-D450 PolarHBondContact O-N 3.34Å; E165-D450 VanDerWaalsContact O-N 3.13Å; F448-D450 HydrophobicContact CD1-CB 4.32Å; F448-D450 HydrophobicContact CE1-CB 3.66Å; F448-D450 WeakPolarHBondContact CE1-OD2 3.3Å; F448-D450 HydrophobicContact CZ-CB 4.36Å; D450-F452 VanDerWaalsContact C-N 3.3Å; D450-F452 PolarHBondContact O-N 2.66Å; D450-F452 VanDerWaalsContact O-N 3.17Å; D450-K472 IonicContact OD2-NZ 3.8Å; D450-K472 PolarHBondContact OD2-NZ 2.71Å
451	D	93.4	Very high	92.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.8	45	169	-75.6	-60.9	0	0	0	115	E87 E165 F453 W464 S468 K472	E87-D451 CarbonylContact O-C 3.57Å; E87-D451 VanDerWaalsContact O-CA 3.25Å; E87-D451 WeakPolarHBondContact O-CA 3.47Å; E87-D451 PolarHBondContact O-N 2.68Å; E165-D451 HydrophobicContact CG-CB 4.18Å; E165-D451 WeakPolarHBondContact OE1-CB 3.37Å; E165-D451 VanDerWaalsContact OE1-OD2 3.05Å; D451-F453 PolarHBondContact O-N 3.5Å; D451-F453 VanDerWaalsContact O-N 3.16Å; D451-W464 WeakPolarHBondContact OD1-CZ2 3.33Å; D451-S468 VanDerWaalsContact CG-OG 3.29Å; D451-S468 WeakPolarHBondContact OD1-CB 3.5Å; D451-S468 WeakPolarHBondContact OD2-CB 3.28Å; D451-S468 PolarHBondContact OD2-OG 2.67Å; D451-K472 IonicContact OD2-NZ 2.73Å; D451-K472 PolarHBondContact OD2-NZ 2.74Å
452	F	95.6	Very high	92.9	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	112.9	175.7	-68	-77.5	0	0	0	110.5	F85 A86 E87 F89 W97 Q163 Y164 V179 L436 L438 F449 D450	F85-F452 HydrophobicContact CD1-CB 3.92Å; F85-F452 HydrophobicContact CE1-CB 3.69Å; F85-F452 HydrophobicContact CE1-CG 4.46Å; A86-F452 CarbonylContact C-O 3.4Å; A86-F452 VanDerWaalsContact CA-O 3.27Å; A86-F452 WeakPolarHBondContact CA-O 3.3Å; E87-F452 HydrophobicContact CB-CB 4.34Å; E87-F452 PolarHBondContact N-O 3.39Å; E87-F452 PolarHBondContact O-N 2.98Å; F89-F452 AromaticContact CE2-CD2 3.66Å; F89-F452 HydrophobicContact CE2-CD2 3.66Å; F89-F452 AromaticContact CE2-CE2 3.67Å; F89-F452 HydrophobicContact CE2-CE2 3.67Å; F89-F452 AromaticContact CZ-CD2 3.9Å; F89-F452 HydrophobicContact CZ-CD2 3.9Å; F89-F452 AromaticContact CZ-CE2 3.81Å; F89-F452 HydrophobicContact CZ-CE2 3.81Å; W97-F452 AromaticContact CH2-CD2 3.98Å; W97-F452 HydrophobicContact CH2-CD2 3.98Å; W97-F452 AromaticContact CH2-CE2 3.87Å; W97-F452 HydrophobicContact CH2-CE2 3.87Å; W97-F452 HydrophobicContact CH2-CZ 4.36Å; W97-F452 AromaticContact CZ2-CD2 3.95Å; W97-F452 HydrophobicContact CZ2-CD2 3.95Å; W97-F452 HydrophobicContact CZ2-CE2 4.17Å; Q163-F452 WeakPolarHBondContact O-CA 3.38Å; Y164-F452 HydrophobicContact CD2-CD1 4.2Å; Y164-F452 AromaticContact CD2-CE1 3.59Å; Y164-F452 HydrophobicContact CD2-CE1 3.59Å; Y164-F452 HydrophobicContact CD2-CZ 4.28Å; Y164-F452 HydrophobicContact CE2-CE1 4.36Å; Y164-F452 AromaticContact CG-CD1 3.9Å; Y164-F452 HydrophobicContact CG-CD1 3.9Å; Y164-F452 AromaticContact CG-CE1 3.77Å; Y164-F452 HydrophobicContact CG-CE1 3.77Å; V179-F452 HydrophobicContact CG1-CD1 4.16Å; V179-F452 HydrophobicContact CG1-CE1 3.58Å; L436-F452 HydrophobicContact CD1-CD1 4.05Å; L436-F452 HydrophobicContact CD2-CD1 4.33Å; L436-F452 HydrophobicContact CD2-CE1 4.42Å; L438-F452 HydrophobicContact CD1-CE2 4.49Å; L438-F452 HydrophobicContact CD1-CZ 3.86Å; L438-F452 HydrophobicContact CD2-CE1 4.37Å; L438-F452 HydrophobicContact CD2-CZ 4.25Å; L438-F452 HydrophobicContact CG-CZ 4.48Å; F449-F452 HydrophobicContact CB-CE2 3.95Å; F449-F452 HydrophobicContact CB-CZ 3.72Å; F449-F452 HydrophobicContact CD1-CZ 4.17Å; F449-F452 HydrophobicContact CG-CZ 4.29Å; D450-F452 VanDerWaalsContact C-N 3.3Å; D450-F452 PolarHBondContact O-N 2.66Å; D450-F452 VanDerWaalsContact O-N 3.17Å
453	F	95.8	Very high	93	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.2	-177.4	-165.9	-113.1	0	0	0	111.6	P79 H83 A86 I162 Q163 D451 T455 T460 A461 W464	P79-F453 HydrophobicContact CB-CE2 4.11Å; H83-F453 HydrophobicContact CB-CE2 3.75Å; H83-F453 HydrophobicContact CB-CZ 3.9Å; A86-F453 HydrophobicContact CB-CD2 3.83Å; A86-F453 HydrophobicContact CB-CE2 4.04Å; I162-F453 WeakPolarHBondContact CA-O 3.11Å; Q163-F453 HydrophobicContact CB-CB 4.49Å; Q163-F453 PolarHBondContact N-O 2.64Å; Q163-F453 PolarHBondContact O-N 3.35Å; D451-F453 PolarHBondContact O-N 3.5Å; D451-F453 VanDerWaalsContact O-N 3.16Å; F453-T455 HydrophobicContact CD1-CG2 4.03Å; F453-T455 HydrophobicContact CE1-CG2 3.52Å; F453-T455 HydrophobicContact CZ-CG2 4.4Å; F453-T460 HydrophobicContact CE1-CG2 4.01Å; F453-T460 HydrophobicContact CZ-CG2 3.81Å; F453-A461 HydrophobicContact CD1-CB 4.21Å; F453-A461 HydrophobicContact CE1-CB 4.31Å; F453-W464 HydrophobicContact CB-CG 4.2Å; F453-W464 HydrophobicContact CD1-CB 4.15Å; F453-W464 HydrophobicContact CD1-CG 4.15Å; F453-W464 AromaticContact CD2-CD2 3.86Å; F453-W464 HydrophobicContact CD2-CD2 3.86Å; F453-W464 HydrophobicContact CD2-CE3 4.23Å; F453-W464 HydrophobicContact CD2-CG 4.04Å; F453-W464 HydrophobicContact CE1-CB 4.25Å; F453-W464 HydrophobicContact CE2-CD2 4.26Å; F453-W464 HydrophobicContact CE2-CE3 4.25Å; F453-W464 HydrophobicContact CE2-CG 4.49Å; F453-W464 HydrophobicContact CG-CB 4.36Å; F453-W464 AromaticContact CG-CD1 3.9Å; F453-W464 HydrophobicContact CG-CD2 4.16Å; F453-W464 AromaticContact CG-CG 3.87Å; F453-W464 HydrophobicContact CG-CG 3.87Å
454	I	96.4	Very high	93.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.6	176.7	-54.6	178.9	0	0	0	109.5	H83 F84 F85 L149 L160 V161 I162 L181 F433 L436	H83-I454 WeakPolarHBondContact CA-O 3.43Å; F84-I454 HydrophobicContact CB-CB 4.4Å; F84-I454 HydrophobicContact CB-CG2 4.17Å; F84-I454 PolarHBondContact N-O 3.5Å; F85-I454 HydrophobicContact CB-CB 3.96Å; F85-I454 HydrophobicContact CB-CD1 3.9Å; F85-I454 HydrophobicContact CB-CG1 3.92Å; F85-I454 PolarHBondContact N-O 3.35Å; F85-I454 PolarHBondContact O-N 2.93Å; L149-I454 HydrophobicContact CD1-CD1 4.38Å; L160-I454 HydrophobicContact CD1-CG2 3.86Å; V161-I454 WeakPolarHBondContact O-CA 3.32Å; I162-I454 HydrophobicContact CG1-CG1 4.47Å; I162-I454 HydrophobicContact CG2-CG1 4.36Å; L181-I454 HydrophobicContact CD2-CD1 3.98Å; F433-I454 HydrophobicContact CE2-CD1 4.15Å; F433-I454 HydrophobicContact CZ-CG2 4.21Å; L436-I454 HydrophobicContact CD1-CD1 4.07Å
455	T	95.2	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.5	-177.7	-175.4	0	0	0	0	112	E82 V161 F453 D457 A461	E82-T455 PolarHBondContact O-OG1 3.31Å; V161-T455 HydrophobicContact CB-CG2 3.93Å; V161-T455 HydrophobicContact CG1-CG2 4.41Å; V161-T455 PolarHBondContact N-O 2.86Å; V161-T455 PolarHBondContact O-N 2.93Å; F453-T455 HydrophobicContact CD1-CG2 4.03Å; F453-T455 HydrophobicContact CE1-CG2 3.52Å; F453-T455 HydrophobicContact CZ-CG2 4.4Å; T455-D457 WeakPolarHBondContact CG2-O 3.31Å; T455-D457 PolarHBondContact OG1-N 3.19Å; T455-A461 HydrophobicContact CG2-CB 3.9Å
456	N	93.7	Very high	93.4	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.128	14%	0.138	C	C	.	.	S	Bend	trans	-101.7	-0.6	171.3	56	-13.4	0	0	0	113.5	E82 F84 M158 P159	E82-N456 PolarHBondContact OE2-ND2 2.94Å; F84-N456 HydrophobicContact CE2-CB 4.11Å; M158-N456 HydrophobicContact CB-CB 4.09Å; M158-N456 HydrophobicContact SD-CB 4.28Å; M158-N456 PolarHBondContact SD-ND2 2.72Å; P159-N456 WeakPolarHBondContact CG-O 3.45Å; P159-N456 WeakPolarHBondContact O-CA 3.26Å
457	D	93.1	Very high	93.3	Very high	52 Å²	52	31.5 Å²	31.5	28%	0.278	15%	0.154	S	C	.	.			trans	-126.7	125.5	178.9	170.5	46.8	0	0	0	112.8	T455 N459 T460 A461	T455-D457 WeakPolarHBondContact CG2-O 3.31Å; T455-D457 PolarHBondContact OG1-N 3.19Å; D457-N459 PolarHBondContact O-N 3.42Å; D457-N459 PolarHBondContact OD1-N 3.46Å; D457-N459 VanDerWaalsContact OD1-N 3.17Å; D457-N459 PolarHBondContact OD1-ND2 3.02Å; D457-N459 WeakPolarHBondContact OD2-CB 3.36Å; D457-N459 PolarHBondContact OD2-N 3.15Å; D457-T460 PolarHBondContact O-N 2.85Å; D457-T460 WeakPolarHBondContact OD2-CB 3.22Å; D457-T460 PolarHBondContact OD2-N 3.46Å; D457-T460 PolarHBondContact OD2-OG1 2.85Å; D457-A461 PolarHBondContact O-N 3.09Å
458	R	91.3	Very high	93	Very high	89 Å²	89	31.4 Å²	31.4	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-41.1	177.5	-179.3	176.4	178.7	143.3	8.6	112.6	E263 T460 A461 E462	E263-R458 IonicContact OE1-NH1 2.58Å; E263-R458 IonicContact OE2-CZ 2.85Å; E263-R458 IonicContact OE2-NH1 2.72Å; E263-R458 PolarHBondContact OE2-NH1 3.33Å; E263-R458 IonicContact OE2-NH2 3.16Å; R458-T460 VanDerWaalsContact C-N 3.27Å; R458-T460 PolarHBondContact O-N 3.16Å; R458-A461 PolarHBondContact O-N 2.82Å; R458-E462 HydrophobicContact CG-CG 4.3Å; R458-E462 WeakPolarHBondContact CG-OE1 3.2Å; R458-E462 IonicContact CZ-OE1 3.88Å; R458-E462 IonicContact NE-OE1 3.66Å; R458-E462 PolarHBondContact NE-OE1 3.23Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 WeakPolarHBondContact O-CG 3.22Å; R458-E462 PolarHBondContact O-N 2.81Å
459	N	92.4	Very high	92.9	Very high	93 Å²	93	32 Å²	32	50%	0.497	16%	0.156	S	C	.	.	H	α-helix	trans	-65.8	-35	-177.3	-52.8	-92.9	0	0	0	111.5	D457 R463	D457-N459 PolarHBondContact O-N 3.42Å; D457-N459 PolarHBondContact OD1-N 3.46Å; D457-N459 VanDerWaalsContact OD1-N 3.17Å; D457-N459 PolarHBondContact OD1-ND2 3.02Å; D457-N459 WeakPolarHBondContact OD2-CB 3.36Å; D457-N459 PolarHBondContact OD2-N 3.15Å; N459-R463 VanDerWaalsContact O-CG 3.31Å; N459-R463 WeakPolarHBondContact O-CG 3.39Å; N459-R463 PolarHBondContact O-N 2.8Å; N459-R463 VanDerWaalsContact O-N 3.12Å
460	T	92.6	Very high	92.5	Very high	16 Å²	16	33.2 Å²	33.2	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-42.1	175.6	-60.9	0	0	0	0	111.2	M80 F453 D457 R458 R463 W464	M80-T460 WeakPolarHBondContact O-CG2 3.27Å; F453-T460 HydrophobicContact CE1-CG2 4.01Å; F453-T460 HydrophobicContact CZ-CG2 3.81Å; D457-T460 PolarHBondContact O-N 2.85Å; D457-T460 WeakPolarHBondContact OD2-CB 3.22Å; D457-T460 PolarHBondContact OD2-N 3.46Å; D457-T460 PolarHBondContact OD2-OG1 2.85Å; R458-T460 VanDerWaalsContact C-N 3.27Å; R458-T460 PolarHBondContact O-N 3.16Å; T460-R463 PolarHBondContact O-N 3.18Å; T460-W464 PolarHBondContact O-N 3.16Å; T460-W464 VanDerWaalsContact O-N 3.09Å
461	A	93.2	Very high	92.2	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-43.1	173.8	0	0	0	0	0	113.1	V161 F453 T455 D457 R458 R463 W464 A465	V161-A461 HydrophobicContact CB-CB 4.49Å; V161-A461 HydrophobicContact CG1-CB 3.58Å; F453-A461 HydrophobicContact CD1-CB 4.21Å; F453-A461 HydrophobicContact CE1-CB 4.31Å; T455-A461 HydrophobicContact CG2-CB 3.9Å; D457-A461 PolarHBondContact O-N 3.09Å; R458-A461 PolarHBondContact O-N 2.82Å; A461-R463 VanDerWaalsContact C-N 3.27Å; A461-R463 PolarHBondContact O-N 3.04Å; A461-W464 PolarHBondContact O-N 2.93Å; A461-A465 WeakPolarHBondContact O-CB 3.31Å; A461-A465 PolarHBondContact O-N 2.92Å
462	E	92.6	Very high	91.9	Very high	80 Å²	80	35.8 Å²	35.8	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-31.6	177.2	-74	174	-179	0	0	112.5	R458 A466	R458-E462 HydrophobicContact CG-CG 4.3Å; R458-E462 WeakPolarHBondContact CG-OE1 3.2Å; R458-E462 IonicContact CZ-OE1 3.88Å; R458-E462 IonicContact NE-OE1 3.66Å; R458-E462 PolarHBondContact NE-OE1 3.23Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 WeakPolarHBondContact O-CG 3.22Å; R458-E462 PolarHBondContact O-N 2.81Å; E462-A466 WeakPolarHBondContact O-CB 3.28Å; E462-A466 PolarHBondContact O-N 3.4Å; E462-A466 VanDerWaalsContact O-N 3.07Å
463	R	91.9	Very high	91.6	Very high	157 Å²	157	40.3 Å²	40.3	59%	0.592	20%	0.201	S	C	*	.	H	α-helix	trans	-71.8	-46	172.2	-74.2	172.6	-173.9	172.8	4.5	112.4	N459 T460 A461 A465 A466 D467	N459-R463 VanDerWaalsContact O-CG 3.31Å; N459-R463 WeakPolarHBondContact O-CG 3.39Å; N459-R463 PolarHBondContact O-N 2.8Å; N459-R463 VanDerWaalsContact O-N 3.12Å; T460-R463 PolarHBondContact O-N 3.18Å; A461-R463 VanDerWaalsContact C-N 3.27Å; A461-R463 PolarHBondContact O-N 3.04Å; R463-A465 VanDerWaalsContact C-N 3.27Å; R463-A465 PolarHBondContact O-N 3.1Å; R463-A466 PolarHBondContact O-N 3.1Å; R463-D467 PolarHBondContact O-N 3.41Å
464	W	92.3	Very high	91.1	Very high	11 Å²	11	43 Å²	43	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-55.7	-45.9	173.5	-178.8	-89.2	0	0	0	110.8	P77 P79 D451 F453 T460 A461 A466 D467 S468	P77-W464 HydrophobicContact CB-CD2 4.42Å; P77-W464 HydrophobicContact CB-CE3 4Å; P77-W464 HydrophobicContact CB-CH2 3.75Å; P77-W464 HydrophobicContact CB-CZ2 4.17Å; P77-W464 HydrophobicContact CB-CZ3 3.65Å; P77-W464 HydrophobicContact CG-CH2 3.55Å; P77-W464 HydrophobicContact CG-CZ2 3.73Å; P77-W464 HydrophobicContact CG-CZ3 4.02Å; P79-W464 HydrophobicContact CB-CE3 4.27Å; P79-W464 HydrophobicContact CB-CZ3 3.88Å; P79-W464 HydrophobicContact CG-CZ3 4.42Å; D451-W464 WeakPolarHBondContact OD1-CZ2 3.33Å; F453-W464 HydrophobicContact CB-CG 4.2Å; F453-W464 HydrophobicContact CD1-CB 4.15Å; F453-W464 HydrophobicContact CD1-CG 4.15Å; F453-W464 AromaticContact CD2-CD2 3.86Å; F453-W464 HydrophobicContact CD2-CD2 3.86Å; F453-W464 HydrophobicContact CD2-CE3 4.23Å; F453-W464 HydrophobicContact CD2-CG 4.04Å; F453-W464 HydrophobicContact CE1-CB 4.25Å; F453-W464 HydrophobicContact CE2-CD2 4.26Å; F453-W464 HydrophobicContact CE2-CE3 4.25Å; F453-W464 HydrophobicContact CE2-CG 4.49Å; F453-W464 HydrophobicContact CG-CB 4.36Å; F453-W464 AromaticContact CG-CD1 3.9Å; F453-W464 HydrophobicContact CG-CD2 4.16Å; F453-W464 AromaticContact CG-CG 3.87Å; F453-W464 HydrophobicContact CG-CG 3.87Å; T460-W464 PolarHBondContact O-N 3.16Å; T460-W464 VanDerWaalsContact O-N 3.09Å; A461-W464 PolarHBondContact O-N 2.93Å; W464-A466 VanDerWaalsContact C-N 3.3Å; W464-A466 PolarHBondContact O-N 3.02Å; W464-D467 PolarHBondContact O-N 3.48Å; W464-S468 PolarHBondContact O-N 3.47Å; W464-S468 PolarHBondContact O-OG 2.8Å
465	A	92.9	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-37.5	173.6	0	0	0	0	0	114	L251 A461 R463 W469 G470	L251-A465 HydrophobicContact CD2-CB 3.58Å; A461-A465 WeakPolarHBondContact O-CB 3.31Å; A461-A465 PolarHBondContact O-N 2.92Å; R463-A465 VanDerWaalsContact C-N 3.27Å; R463-A465 PolarHBondContact O-N 3.1Å; A465-W469 WeakPolarHBondContact O-CB 3.49Å; A465-W469 PolarHBondContact O-N 3.49Å; A465-G470 PolarHBondContact O-N 2.84Å
466	A	91.1	Very high	89.9	Confident	52 Å²	52	45.2 Å²	45.2	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-75.2	-38.2	-180	0	0	0	0	0	112	E462 R463 W464 G470	E462-A466 WeakPolarHBondContact O-CB 3.28Å; E462-A466 PolarHBondContact O-N 3.4Å; E462-A466 VanDerWaalsContact O-N 3.07Å; R463-A466 PolarHBondContact O-N 3.1Å; W464-A466 VanDerWaalsContact C-N 3.3Å; W464-A466 PolarHBondContact O-N 3.02Å; A466-G470 WeakPolarHBondContact O-CA 3.31Å
467	D	89.1	Confident	89.2	Confident	79 Å²	79	46.2 Å²	46.2	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-73	-35.2	179.3	-70.9	-20.9	0	0	0	112.1	P77 R463 W464	P77-D467 HydrophobicContact CB-CB 4.48Å; R463-D467 PolarHBondContact O-N 3.41Å; W464-D467 PolarHBondContact O-N 3.48Å
468	S	87.6	Confident	88.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-85.6	175.9	79.9	0	0	0	0	113	E165 D451 W464 G470 L471 K472	E165-S468 PolarHBondContact OE1-OG 3.39Å; D451-S468 VanDerWaalsContact CG-OG 3.29Å; D451-S468 WeakPolarHBondContact OD1-CB 3.5Å; D451-S468 WeakPolarHBondContact OD2-CB 3.28Å; D451-S468 PolarHBondContact OD2-OG 2.67Å; W464-S468 PolarHBondContact O-N 3.47Å; W464-S468 PolarHBondContact O-OG 2.8Å; S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 3.37Å; S468-L471 WeakPolarHBondContact O-CA 3.14Å; S468-L471 VanDerWaalsContact O-CB 3.26Å; S468-L471 WeakPolarHBondContact O-CB 3.41Å; S468-L471 PolarHBondContact O-N 3.27Å; S468-K472 PolarHBondContact O-N 3.31Å; S468-K472 VanDerWaalsContact O-N 3.13Å
469	W	90.6	Very high	87.5	Confident	13 Å²	13	45.7 Å²	45.7	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-37.6	-174.7	177.9	78.1	0	0	0	113	E165 T249 L251 D267 Q268 A465 L471 K472 K473	E165-W469 HydrophobicContact CG-CB 4.41Å; E165-W469 WeakPolarHBondContact OE1-CA 3.42Å; E165-W469 VanDerWaalsContact OE1-CB 3.26Å; E165-W469 WeakPolarHBondContact OE1-CB 3.22Å; E165-W469 PolarHBondContact OE1-N 2.88Å; T249-W469 PolarHBondContact O-NE1 2.83Å; L251-W469 HydrophobicContact CB-CB 4.48Å; L251-W469 HydrophobicContact CB-CD2 3.87Å; L251-W469 HydrophobicContact CB-CE3 4.49Å; L251-W469 HydrophobicContact CB-CG 3.86Å; L251-W469 HydrophobicContact CB-CZ2 4.45Å; L251-W469 HydrophobicContact CD1-CB 4.12Å; L251-W469 HydrophobicContact CD1-CG 4.36Å; L251-W469 HydrophobicContact CD2-CB 4.29Å; L251-W469 HydrophobicContact CD2-CD2 4.13Å; L251-W469 HydrophobicContact CD2-CE3 4.06Å; L251-W469 HydrophobicContact CD2-CG 4.27Å; L251-W469 HydrophobicContact CG-CG 4.41Å; D267-W469 VanDerWaalsContact CA-CH2 3.47Å; D267-W469 HydrophobicContact CB-CH2 3.57Å; D267-W469 HydrophobicContact CB-CZ2 3.47Å; D267-W469 VanDerWaalsContact CB-CZ2 3.47Å; D267-W469 WeakPolarHBondContact O-CH2 3.5Å; D267-W469 WeakPolarHBondContact OD1-CZ2 3.41Å; Q268-W469 HydrophobicContact CG-CZ3 3.99Å; A465-W469 WeakPolarHBondContact O-CB 3.49Å; A465-W469 PolarHBondContact O-N 3.49Å; W469-L471 PolarHBondContact O-N 3.08Å; W469-K472 PolarHBondContact O-N 3.26Å; W469-K472 VanDerWaalsContact O-N 3.17Å; W469-K473 HydrophobicContact CE3-CD 4.49Å; W469-K473 HydrophobicContact CH2-CD 3.41Å; W469-K473 VanDerWaalsContact CH2-CD 3.41Å; W469-K473 HydrophobicContact CZ2-CD 3.36Å; W469-K473 HydrophobicContact CZ3-CD 3.98Å; W469-K473 VanDerWaalsContact O-CB 3.32Å; W469-K473 WeakPolarHBondContact O-CB 3.33Å; W469-K473 PolarHBondContact O-N 3.43Å
470	G	88.6	Confident	86.4	Confident	25 Å²	25	45.6 Å²	45.6	26%	0.258	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-37.5	175.9	0	0	0	0	0	112.2	A465 A466 S468 A474	A465-G470 PolarHBondContact O-N 2.84Å; A466-G470 WeakPolarHBondContact O-CA 3.31Å; S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 3.37Å; G470-A474 WeakPolarHBondContact O-CB 3.31Å; G470-A474 PolarHBondContact O-N 2.88Å
471	L	87.4	Confident	85.1	Confident	49 Å²	49	48 Å²	48	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-69.8	-45.4	173.7	-160.9	75.3	0	0	0	111.3	V72 Y74 L128 S468 W469 A474 A475	V72-L471 HydrophobicContact CG1-CD1 3.6Å; V72-L471 HydrophobicContact CG1-CD2 4.2Å; V72-L471 HydrophobicContact CG1-CG 3.88Å; Y74-L471 HydrophobicContact CD2-CD2 4.09Å; L128-L471 HydrophobicContact CD1-CB 4.24Å; L128-L471 HydrophobicContact CD1-CD2 3.95Å; L128-L471 HydrophobicContact CD1-CG 3.9Å; S468-L471 WeakPolarHBondContact O-CA 3.14Å; S468-L471 VanDerWaalsContact O-CB 3.26Å; S468-L471 WeakPolarHBondContact O-CB 3.41Å; S468-L471 PolarHBondContact O-N 3.27Å; W469-L471 PolarHBondContact O-N 3.08Å; L471-A474 PolarHBondContact O-N 2.93Å; L471-A475 WeakPolarHBondContact O-CB 3.39Å; L471-A475 PolarHBondContact O-N 3.45Å
472	K	87	Confident	84	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-51.5	177.5	-62.9	174.6	-163.8	-177.7	0	110.8	L128 D131 E165 D450 D451 S468 W469 A474 A475 E476	L128-K472 HydrophobicContact CD1-CB 4.35Å; L128-K472 HydrophobicContact CD1-CG 3.9Å; D131-K472 VanDerWaalsContact CG-CE 3.49Å; D131-K472 VanDerWaalsContact OD1-CE 3.23Å; D131-K472 WeakPolarHBondContact OD1-CE 3.37Å; D131-K472 IonicContact OD1-NZ 3.31Å; D131-K472 PolarHBondContact OD1-NZ 3.33Å; D131-K472 WeakPolarHBondContact OD2-CD 3.23Å; D131-K472 WeakPolarHBondContact OD2-CE 3.42Å; D131-K472 IonicContact OD2-NZ 3.58Å; E165-K472 IonicContact OE1-NZ 2.68Å; E165-K472 WeakPolarHBondContact OE2-CD 3.35Å; E165-K472 WeakPolarHBondContact OE2-CE 3.09Å; E165-K472 IonicContact OE2-NZ 2.91Å; E165-K472 PolarHBondContact OE2-NZ 2.74Å; D450-K472 IonicContact OD2-NZ 3.8Å; D450-K472 PolarHBondContact OD2-NZ 2.71Å; D451-K472 IonicContact OD2-NZ 2.73Å; D451-K472 PolarHBondContact OD2-NZ 2.74Å; S468-K472 PolarHBondContact O-N 3.31Å; S468-K472 VanDerWaalsContact O-N 3.13Å; W469-K472 PolarHBondContact O-N 3.26Å; W469-K472 VanDerWaalsContact O-N 3.17Å; K472-A474 PolarHBondContact O-N 3.45Å; K472-A475 PolarHBondContact O-N 2.68Å; K472-E476 WeakPolarHBondContact O-CG 3.41Å; K472-E476 PolarHBondContact O-N 3.32Å
473	K	87.8	Confident	82.8	Confident	95 Å²	95	52.7 Å²	52.7	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.6	-174.6	164.8	-172	161.3	0	113.3	D267 W469 G477	D267-K473 IonicContact OD2-NZ 3.61Å; W469-K473 HydrophobicContact CE3-CD 4.49Å; W469-K473 HydrophobicContact CH2-CD 3.41Å; W469-K473 VanDerWaalsContact CH2-CD 3.41Å; W469-K473 HydrophobicContact CZ2-CD 3.36Å; W469-K473 HydrophobicContact CZ3-CD 3.98Å; W469-K473 VanDerWaalsContact O-CB 3.32Å; W469-K473 WeakPolarHBondContact O-CB 3.33Å; W469-K473 PolarHBondContact O-N 3.43Å; K473-G477 PolarHBondContact O-N 2.95Å
474	A	86	Confident	81.4	Confident	61 Å²	61	48.7 Å²	48.7	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-39.8	174.9	0	0	0	0	0	112	G470 L471 K472 A478	G470-A474 WeakPolarHBondContact O-CB 3.31Å; G470-A474 PolarHBondContact O-N 2.88Å; L471-A474 PolarHBondContact O-N 2.93Å; K472-A474 PolarHBondContact O-N 3.45Å; A474-A478 VanDerWaalsContact O-CB 3.23Å; A474-A478 WeakPolarHBondContact O-CB 3.07Å; A474-A478 PolarHBondContact O-N 3.39Å
475	A	84.2	Confident	80.3	Confident	8 Å²	8	50 Å²	50	7%	0.066	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-40	176.1	0	0	0	0	0	112.4	K127 L128 L471 K472 A479	K127-A475 HydrophobicContact CB-CB 4.08Å; L128-A475 HydrophobicContact CD1-CB 4.18Å; L128-A475 HydrophobicContact CD2-CB 3.66Å; L128-A475 HydrophobicContact CG-CB 3.68Å; L471-A475 WeakPolarHBondContact O-CB 3.39Å; L471-A475 PolarHBondContact O-N 3.45Å; K472-A475 PolarHBondContact O-N 2.68Å; A475-A479 VanDerWaalsContact O-CB 3.29Å; A475-A479 WeakPolarHBondContact O-CB 3.27Å; A475-A479 PolarHBondContact O-N 3.04Å
476	E	82	Confident	79.3	Confident	39 Å²	39	54.4 Å²	54.4	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-52.7	171.6	-74.6	-179.6	-172.1	0	0	111.4	K127 K472 A478 A479 E480	K127-E476 HydrophobicContact CG-CG 4.18Å; K472-E476 WeakPolarHBondContact O-CG 3.41Å; K472-E476 PolarHBondContact O-N 3.32Å; E476-A478 VanDerWaalsContact C-N 3.29Å; E476-A478 PolarHBondContact O-N 3.03Å; E476-A479 CarbonylContact O-C 3.59Å; E476-A479 WeakPolarHBondContact O-CA 3.47Å; E476-A479 WeakPolarHBondContact O-CB 3.45Å; E476-A479 PolarHBondContact O-N 2.93Å; E476-E480 WeakPolarHBondContact O-CG 3.46Å; E476-E480 PolarHBondContact O-N 3.38Å
477	G	80.3	Confident	78.4	Confident	44 Å²	44	55.1 Å²	55.1	45%	0.454	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-30.1	179.2	0	0	0	0	0	114.1	K473	K473-G477 PolarHBondContact O-N 2.95Å
478	A	77.1	Confident	77.6	Confident	77 Å²	77	55.4 Å²	55.4	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-76.9	-22.8	171.9	0	0	0	0	0	113.3	A474 E476	A474-A478 VanDerWaalsContact O-CB 3.23Å; A474-A478 WeakPolarHBondContact O-CB 3.07Å; A474-A478 PolarHBondContact O-N 3.39Å; E476-A478 VanDerWaalsContact C-N 3.29Å; E476-A478 PolarHBondContact O-N 3.03Å
479	A	70.8	Confident	77	Confident	54 Å²	54	58.8 Å²	58.8	45%	0.446	38%	0.377	S	S	.	.	H	α-helix	trans	-88.4	-16.8	174.6	0	0	0	0	0	113	K127 A475 E476	K127-A479 HydrophobicContact CD-CB 3.89Å; K127-A479 HydrophobicContact CG-CB 4.12Å; A475-A479 VanDerWaalsContact O-CB 3.29Å; A475-A479 WeakPolarHBondContact O-CB 3.27Å; A475-A479 PolarHBondContact O-N 3.04Å; E476-A479 CarbonylContact O-C 3.59Å; E476-A479 WeakPolarHBondContact O-CA 3.47Å; E476-A479 WeakPolarHBondContact O-CB 3.45Å; E476-A479 PolarHBondContact O-N 2.93Å
480	E	69.8	Low	76.3	Confident	90 Å²	90	59.7 Å²	59.7	42%	0.421	39%	0.387	S	S	.	.	S	Bend	trans	-61.7	131.4	171.5	-69.6	-160	142.6	0	0	110.2	K248 E476 G482	K248-E480 IonicContact NZ-OE1 3.66Å; K248-E480 PolarHBondContact NZ-OE1 2.96Å; E476-E480 WeakPolarHBondContact O-CG 3.46Å; E476-E480 PolarHBondContact O-N 3.38Å; E480-G482 PolarHBondContact O-N 2.87Å
481	P	65.3	Low	75.7	Confident	68 Å²	68	58.6 Å²	58.6	44%	0.442	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-60.6	116.5	175.1	22.5	-30.2	0	0	0	108.7	A485 Q486	P481-A485 HydrophobicContact CB-CB 3.65Å; P481-Q486 HydrophobicContact CB-CG 4.32Å; P481-Q486 HydrophobicContact CG-CG 3.96Å; P481-Q486 VanDerWaalsContact O-CG 3.3Å; P481-Q486 WeakPolarHBondContact O-CG 3.5Å; P481-Q486 PolarHBondContact O-NE2 3.26Å
482	G	69.6	Low	75.2	Confident	50 Å²	50	63.2 Å²	63.2	52%	0.515	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-55.7	159.1	177.7	0	0	0	0	0	111.7	E480 A484 A485 Q486	E480-G482 PolarHBondContact O-N 2.87Å; G482-A484 CarbonylContact O-C 3.57Å; G482-A484 PolarHBondContact O-N 2.99Å; G482-A485 WeakPolarHBondContact O-CA 3.4Å; G482-A485 WeakPolarHBondContact O-CB 3.29Å; G482-A485 PolarHBondContact O-N 2.83Å; G482-Q486 PolarHBondContact O-N 2.89Å; G482-Q486 VanDerWaalsContact O-N 3.16Å
483	L	67.6	Low	75	Confident	130 Å²	130	70.1 Å²	70.1	68%	0.681	43%	0.428	S	S	*	.	H	α-helix	trans	-44.4	-39.6	-168.9	-157.4	87.2	0	0	0	114.5	Q486 M487	L483-Q486 PolarHBondContact O-N 3.06Å; L483-M487 HydrophobicContact CD2-SD 4.36Å; L483-M487 HydrophobicContact CG-SD 4.48Å; L483-M487 WeakPolarHBondContact O-CB 3.47Å; L483-M487 VanDerWaalsContact O-CG 3.22Å; L483-M487 WeakPolarHBondContact O-CG 3.44Å; L483-M487 PolarHBondContact O-N 3.13Å
484	A	62.7	Low	74.8	Confident	72 Å²	72	72.4 Å²	72.4	60%	0.595	43%	0.434	S	S	*	.	H	α-helix	trans	-64.5	-40.1	176.5	0	0	0	0	0	113.7	G482 M487 L488	G482-A484 CarbonylContact O-C 3.57Å; G482-A484 PolarHBondContact O-N 2.99Å; A484-M487 PolarHBondContact O-N 2.89Å; A484-L488 VanDerWaalsContact O-CG 3.25Å; A484-L488 WeakPolarHBondContact O-CG 3.22Å; A484-L488 PolarHBondContact O-N 3.38Å
485	A	68.3	Low	74.6	Confident	39 Å²	39	74 Å²	74	32%	0.322	44%	0.439	S	S	.	.	H	α-helix	trans	-69.9	-41.1	175	0	0	0	0	0	111.5	P481 G482 M487 L488 T489	P481-A485 HydrophobicContact CB-CB 3.65Å; G482-A485 WeakPolarHBondContact O-CA 3.4Å; G482-A485 WeakPolarHBondContact O-CB 3.29Å; G482-A485 PolarHBondContact O-N 2.83Å; A485-M487 VanDerWaalsContact C-N 3.33Å; A485-M487 PolarHBondContact O-N 3.27Å; A485-L488 PolarHBondContact O-N 2.87Å; A485-T489 PolarHBondContact O-N 3.47Å; A485-T489 PolarHBondContact O-OG1 3.42Å
486	Q	73.3	Confident	74.6	Confident	93 Å²	93	80.7 Å²	80.7	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-58.3	-43.8	170.8	-78	173.8	-0.9	0	0	112.2	P481 G482 L483 T489 A490	P481-Q486 HydrophobicContact CB-CG 4.32Å; P481-Q486 HydrophobicContact CG-CG 3.96Å; P481-Q486 VanDerWaalsContact O-CG 3.3Å; P481-Q486 WeakPolarHBondContact O-CG 3.5Å; P481-Q486 PolarHBondContact O-NE2 3.26Å; G482-Q486 PolarHBondContact O-N 2.89Å; G482-Q486 VanDerWaalsContact O-N 3.16Å; L483-Q486 PolarHBondContact O-N 3.06Å; Q486-T489 PolarHBondContact O-N 2.82Å; Q486-A490 WeakPolarHBondContact O-CB 2.97Å; Q486-A490 PolarHBondContact O-N 3.21Å
487	M	70.5	Confident	74.7	Confident	66 Å²	66	80.1 Å²	80.1	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-39.5	175.4	-72	176.3	81.5	0	0	112	L483 A484 A485 A491 Y501	L483-M487 HydrophobicContact CD2-SD 4.36Å; L483-M487 HydrophobicContact CG-SD 4.48Å; L483-M487 WeakPolarHBondContact O-CB 3.47Å; L483-M487 VanDerWaalsContact O-CG 3.22Å; L483-M487 WeakPolarHBondContact O-CG 3.44Å; L483-M487 PolarHBondContact O-N 3.13Å; A484-M487 PolarHBondContact O-N 2.89Å; A485-M487 VanDerWaalsContact C-N 3.33Å; A485-M487 PolarHBondContact O-N 3.27Å; M487-A491 VanDerWaalsContact O-CB 3.29Å; M487-A491 WeakPolarHBondContact O-CB 3.44Å; M487-A491 PolarHBondContact O-N 3.31Å; M487-Y501 HydrophobicContact CB-CE2 3.93Å; M487-Y501 HydrophobicContact CE-CD1 3.75Å; M487-Y501 HydrophobicContact CE-CD2 4.39Å; M487-Y501 HydrophobicContact CE-CE1 3.44Å; M487-Y501 VanDerWaalsContact CE-CE1 3.44Å; M487-Y501 HydrophobicContact CE-CE2 4.11Å; M487-Y501 HydrophobicContact CE-CG 4.23Å; M487-Y501 WeakPolarHBondContact O-CE2 3.35Å
488	L	73.7	Confident	74.7	Confident	85 Å²	85	83.6 Å²	83.6	45%	0.445	46%	0.46	S	S	.	.	H	α-helix	trans	-64.1	-51.2	175.6	-73.3	167.2	0	0	0	111.7	A484 A485 A490 A491 E492 W498	A484-L488 VanDerWaalsContact O-CG 3.25Å; A484-L488 WeakPolarHBondContact O-CG 3.22Å; A484-L488 PolarHBondContact O-N 3.38Å; A485-L488 PolarHBondContact O-N 2.87Å; L488-A490 PolarHBondContact O-N 3.08Å; L488-A491 CarbonylContact O-C 3.44Å; L488-A491 PolarHBondContact O-N 2.91Å; L488-A491 VanDerWaalsContact O-N 3.09Å; L488-E492 PolarHBondContact O-N 2.73Å; L488-W498 HydrophobicContact CD2-CH2 3.46Å; L488-W498 VanDerWaalsContact CD2-CH2 3.46Å; L488-W498 HydrophobicContact CD2-CZ2 3.92Å; L488-W498 HydrophobicContact CD2-CZ3 4.45Å
489	T	75.6	Confident	75.1	Confident	72 Å²	72	85.2 Å²	85.2	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-61.8	-42.4	178.3	-54.3	0	0	0	0	111.8	A485 Q486 A491 E492 E493	A485-T489 PolarHBondContact O-N 3.47Å; A485-T489 PolarHBondContact O-OG1 3.42Å; Q486-T489 PolarHBondContact O-N 2.82Å; T489-A491 VanDerWaalsContact C-N 3.26Å; T489-A491 PolarHBondContact O-N 3.35Å; T489-E492 PolarHBondContact O-N 3.46Å; T489-E493 PolarHBondContact O-N 3.25Å
490	A	74.1	Confident	75.7	Confident	32 Å²	32	85.2 Å²	85.2	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-34	174.6	0	0	0	0	0	112.6	Q486 L488 R494 L497	Q486-A490 WeakPolarHBondContact O-CB 2.97Å; Q486-A490 PolarHBondContact O-N 3.21Å; L488-A490 PolarHBondContact O-N 3.08Å; A490-R494 WeakPolarHBondContact O-CB 3.38Å; A490-R494 PolarHBondContact O-N 3.13Å; A490-L497 HydrophobicContact CB-CD1 4.08Å
491	A	76.1	Confident	76.4	Confident	1 Å²	1	83.4 Å²	83.4	1%	0.008	44%	0.441	C	S	.	.	H	α-helix	trans	-78.8	-21.9	176.8	0	0	0	0	0	113.8	M487 L488 T489 R494 P495 L497 W498 Y501	M487-A491 VanDerWaalsContact O-CB 3.29Å; M487-A491 WeakPolarHBondContact O-CB 3.44Å; M487-A491 PolarHBondContact O-N 3.31Å; L488-A491 CarbonylContact O-C 3.44Å; L488-A491 PolarHBondContact O-N 2.91Å; L488-A491 VanDerWaalsContact O-N 3.09Å; T489-A491 VanDerWaalsContact C-N 3.26Å; T489-A491 PolarHBondContact O-N 3.35Å; A491-R494 CarbonylContact O-C 3.48Å; A491-P495 WeakPolarHBondContact O-CA 3.37Å; A491-L497 HydrophobicContact CB-CB 4.22Å; A491-W498 HydrophobicContact CB-CD2 4.02Å; A491-W498 HydrophobicContact CB-CG 4.06Å; A491-W498 HydrophobicContact CB-CZ2 4.2Å; A491-W498 VanDerWaalsContact O-CD1 3.3Å; A491-W498 PolarHBondContact O-NE1 2.88Å; A491-Y501 HydrophobicContact CB-CD2 4.35Å; A491-Y501 HydrophobicContact CB-CE2 3.91Å
492	E	78.4	Confident	77.2	Confident	146 Å²	146	84.1 Å²	84.1	68%	0.682	44%	0.444	S	S	*	.	H	α-helix	trans	-71.7	-45.1	167	-71.3	178.3	164.1	0	0	111.2	L488 T489 R494	L488-E492 PolarHBondContact O-N 2.73Å; T489-E492 PolarHBondContact O-N 3.46Å; E492-R494 VanDerWaalsContact C-N 3.34Å; E492-R494 PolarHBondContact O-N 2.79Å
493	E	81.1	Confident	77.8	Confident	151 Å²	151	86.5 Å²	86.5	71%	0.706	44%	0.444	S	S	*	.	H	α-helix	trans	-66.2	-34.1	174.4	-69.3	-170.2	167.7	0	0	113.1	T489	T489-E493 PolarHBondContact O-N 3.25Å
494	R	83.8	Confident	78.4	Confident	143 Å²	143	84.4 Å²	84.4	54%	0.54	44%	0.437	S	S	.	.			trans	-129.6	85.2	-176.1	-61.9	-177.5	-175.1	-159.4	0.2	110.5	A490 A491 E492 W496 L497	A490-R494 WeakPolarHBondContact O-CB 3.38Å; A490-R494 PolarHBondContact O-N 3.13Å; A491-R494 CarbonylContact O-C 3.48Å; E492-R494 VanDerWaalsContact C-N 3.34Å; E492-R494 PolarHBondContact O-N 2.79Å; R494-W496 PolarHBondContact O-N 2.78Å; R494-L497 HydrophobicContact CB-CD1 3.96Å; R494-L497 HydrophobicContact CB-CG 4.16Å; R494-L497 WeakPolarHBondContact O-CB 3.41Å; R494-L497 PolarHBondContact O-N 3.27Å
495	P	82.9	Confident	79.3	Confident	93 Å²	93	84.6 Å²	84.6	60%	0.604	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.9	-174	-30.2	36.4	0	0	0	116	A491 L497 W498	A491-P495 WeakPolarHBondContact O-CA 3.37Å; P495-L497 VanDerWaalsContact C-N 3.3Å; P495-L497 PolarHBondContact O-N 3.25Å; P495-W498 WeakPolarHBondContact O-CB 3.12Å; P495-W498 PolarHBondContact O-N 2.8Å
496	W	84.8	Confident	79.8	Confident	149 Å²	149	84.7 Å²	84.7	56%	0.564	43%	0.431	S	S	*	.	H	α-helix	trans	-70.2	-22	175.4	66.4	-93.1	0	0	0	113.6	R494 W498 I499 V500	R494-W496 PolarHBondContact O-N 2.78Å; W496-W498 PolarHBondContact O-N 2.89Å; W496-I499 WeakPolarHBondContact O-CB 3.41Å; W496-I499 PolarHBondContact O-N 3.31Å; W496-I499 VanDerWaalsContact O-N 3.09Å; W496-V500 HydrophobicContact CE3-CG2 3.81Å; W496-V500 HydrophobicContact CZ3-CG2 3.8Å; W496-V500 PolarHBondContact O-N 2.98Å
497	L	82.9	Confident	80.2	Confident	28 Å²	28	84.6 Å²	84.6	15%	0.147	43%	0.433	C	S	.	.	H	α-helix	trans	-64.6	-28.6	175.2	-75.6	175.7	0	0	0	112.2	A490 A491 R494 P495 I499 V500 Y501	A490-L497 HydrophobicContact CB-CD1 4.08Å; A491-L497 HydrophobicContact CB-CB 4.22Å; R494-L497 HydrophobicContact CB-CD1 3.96Å; R494-L497 HydrophobicContact CB-CG 4.16Å; R494-L497 WeakPolarHBondContact O-CB 3.41Å; R494-L497 PolarHBondContact O-N 3.27Å; P495-L497 VanDerWaalsContact C-N 3.3Å; P495-L497 PolarHBondContact O-N 3.25Å; L497-I499 VanDerWaalsContact C-N 3.27Å; L497-I499 PolarHBondContact O-N 3.41Å; L497-V500 WeakPolarHBondContact O-CB 2.83Å; L497-V500 PolarHBondContact O-N 3.15Å; L497-V500 VanDerWaalsContact O-N 3.12Å; L497-Y501 HydrophobicContact CB-CE2 4.24Å; L497-Y501 VanDerWaalsContact O-CG 3.27Å; L497-Y501 PolarHBondContact O-N 3.4Å
498	W	81.7	Confident	80.8	Confident	117 Å²	117	83.7 Å²	83.7	44%	0.443	43%	0.432	S	S	.	.	H	α-helix	trans	-57.5	-40	170.4	-77.2	108	0	0	0	112.5	L488 A491 P495 W496 V500 Y501 V502	L488-W498 HydrophobicContact CD2-CH2 3.46Å; L488-W498 VanDerWaalsContact CD2-CH2 3.46Å; L488-W498 HydrophobicContact CD2-CZ2 3.92Å; L488-W498 HydrophobicContact CD2-CZ3 4.45Å; A491-W498 HydrophobicContact CB-CD2 4.02Å; A491-W498 HydrophobicContact CB-CG 4.06Å; A491-W498 HydrophobicContact CB-CZ2 4.2Å; A491-W498 VanDerWaalsContact O-CD1 3.3Å; A491-W498 PolarHBondContact O-NE1 2.88Å; P495-W498 WeakPolarHBondContact O-CB 3.12Å; P495-W498 PolarHBondContact O-N 2.8Å; W496-W498 PolarHBondContact O-N 2.89Å; W498-V500 VanDerWaalsContact C-N 3.33Å; W498-Y501 PolarHBondContact O-N 3.18Å; W498-V502 WeakPolarHBondContact O-CB 3.36Å; W498-V502 VanDerWaalsContact O-CG2 3.24Å; W498-V502 WeakPolarHBondContact O-CG2 3.43Å; W498-V502 PolarHBondContact O-N 3.16Å
499	I	83.7	Confident	81.2	Confident	110 Å²	110	84 Å²	84	56%	0.564	43%	0.434	S	S	*	.	H	α-helix	trans	-65.2	-42.1	177.2	-56.5	174.5	0	0	0	109.6	W496 L497 L503	W496-I499 WeakPolarHBondContact O-CB 3.41Å; W496-I499 PolarHBondContact O-N 3.31Å; W496-I499 VanDerWaalsContact O-N 3.09Å; L497-I499 VanDerWaalsContact C-N 3.27Å; L497-I499 PolarHBondContact O-N 3.41Å; I499-L503 HydrophobicContact CG2-CD1 3.96Å; I499-L503 WeakPolarHBondContact O-CB 3.14Å; I499-L503 VanDerWaalsContact O-CG 3.25Å; I499-L503 WeakPolarHBondContact O-CG 3.19Å; I499-L503 PolarHBondContact O-N 2.82Å
500	V	84.4	Confident	81.5	Confident	55 Å²	55	84.8 Å²	84.8	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-51.4	175.9	-178.3	0	0	0	0	110.6	W496 L497 W498 V502 L503 T504	W496-V500 HydrophobicContact CE3-CG2 3.81Å; W496-V500 HydrophobicContact CZ3-CG2 3.8Å; W496-V500 PolarHBondContact O-N 2.98Å; L497-V500 WeakPolarHBondContact O-CB 2.83Å; L497-V500 PolarHBondContact O-N 3.15Å; L497-V500 VanDerWaalsContact O-N 3.12Å; W498-V500 VanDerWaalsContact C-N 3.33Å; V500-V502 PolarHBondContact O-N 2.93Å; V500-L503 CarbonylContact O-C 3.57Å; V500-L503 PolarHBondContact O-N 2.77Å; V500-L503 VanDerWaalsContact O-N 3.12Å; V500-T504 HydrophobicContact CG1-CG2 4.09Å; V500-T504 WeakPolarHBondContact O-CG2 3.23Å; V500-T504 PolarHBondContact O-N 3.43Å; V500-T504 PolarHBondContact O-OG1 3.24Å
501	Y	83.2	Confident	81.9	Confident	51 Å²	51	88.4 Å²	88.4	20%	0.2	45%	0.453	C	S	.	.	H	α-helix	trans	-63.3	-38	-179	-60.1	-21.3	0	0	0	113	M487 A491 L497 W498 V505	M487-Y501 HydrophobicContact CB-CE2 3.93Å; M487-Y501 HydrophobicContact CE-CD1 3.75Å; M487-Y501 HydrophobicContact CE-CD2 4.39Å; M487-Y501 HydrophobicContact CE-CE1 3.44Å; M487-Y501 VanDerWaalsContact CE-CE1 3.44Å; M487-Y501 HydrophobicContact CE-CE2 4.11Å; M487-Y501 HydrophobicContact CE-CG 4.23Å; M487-Y501 WeakPolarHBondContact O-CE2 3.35Å; A491-Y501 HydrophobicContact CB-CD2 4.35Å; A491-Y501 HydrophobicContact CB-CE2 3.91Å; L497-Y501 HydrophobicContact CB-CE2 4.24Å; L497-Y501 VanDerWaalsContact O-CG 3.27Å; L497-Y501 PolarHBondContact O-N 3.4Å; W498-Y501 PolarHBondContact O-N 3.18Å; Y501-V505 VanDerWaalsContact O-CB 3.28Å; Y501-V505 WeakPolarHBondContact O-CB 3.48Å; Y501-V505 PolarHBondContact O-N 2.87Å
502	V	82.3	Confident	82.2	Confident	83 Å²	83	91.8 Å²	91.8	50%	0.503	47%	0.47	S	S	.	.	I	π-helix	trans	-64.8	-40.6	173.4	169.9	0	0	0	0	111	W498 V500 A506 L507	W498-V502 WeakPolarHBondContact O-CB 3.36Å; W498-V502 VanDerWaalsContact O-CG2 3.24Å; W498-V502 WeakPolarHBondContact O-CG2 3.43Å; W498-V502 PolarHBondContact O-N 3.16Å; V500-V502 PolarHBondContact O-N 2.93Å; V502-A506 HydrophobicContact CG1-CB 4.34Å; V502-A506 VanDerWaalsContact O-CB 3.32Å; V502-A506 WeakPolarHBondContact O-CB 3.44Å; V502-A506 PolarHBondContact O-N 3.48Å; V502-L507 PolarHBondContact O-N 3.47Å
503	L	82.7	Confident	82.4	Confident	101 Å²	101	89.5 Å²	89.5	53%	0.529	46%	0.462	S	S	.	.	I	π-helix	trans	-72.5	-34.8	177.5	-71.4	173.6	0	0	0	113.6	I499 V500 L507	I499-L503 HydrophobicContact CG2-CD1 3.96Å; I499-L503 WeakPolarHBondContact O-CB 3.14Å; I499-L503 VanDerWaalsContact O-CG 3.25Å; I499-L503 WeakPolarHBondContact O-CG 3.19Å; I499-L503 PolarHBondContact O-N 2.82Å; V500-L503 CarbonylContact O-C 3.57Å; V500-L503 PolarHBondContact O-N 2.77Å; V500-L503 VanDerWaalsContact O-N 3.12Å; L503-L507 HydrophobicContact CD2-CD1 4.04Å; L503-L507 VanDerWaalsContact O-CB 3.32Å; L503-L507 WeakPolarHBondContact O-CB 3.28Å
504	T	79.8	Confident	82.3	Confident	85 Å²	85	86 Å²	86	52%	0.521	45%	0.45	S	S	.	.	I	π-helix	trans	-91.7	-24.5	-176.1	59.3	0	0	0	0	114.1	V500 P508	V500-T504 HydrophobicContact CG1-CG2 4.09Å; V500-T504 WeakPolarHBondContact O-CG2 3.23Å; V500-T504 PolarHBondContact O-N 3.43Å; V500-T504 PolarHBondContact O-OG1 3.24Å; T504-P508 WeakPolarHBondContact O-CG 3.41Å
505	V	82.3	Confident	82	Confident	77 Å²	77	84.2 Å²	84.2	47%	0.467	45%	0.446	S	S	.	.	I	π-helix	trans	-111.6	-53.3	-178.4	-174	0	0	0	0	111.5	Y501 P508 L509	Y501-V505 VanDerWaalsContact O-CB 3.28Å; Y501-V505 WeakPolarHBondContact O-CB 3.48Å; Y501-V505 PolarHBondContact O-N 2.87Å; V505-P508 WeakPolarHBondContact O-CD 3.22Å; V505-P508 WeakPolarHBondContact O-CG 3.32Å; V505-L509 HydrophobicContact CG1-CD1 4.01Å; V505-L509 WeakPolarHBondContact O-CB 3.49Å; V505-L509 WeakPolarHBondContact O-CG 3.38Å; V505-L509 PolarHBondContact O-N 3.37Å
506	A	78.8	Confident	81.4	Confident	40 Å²	40	83.6 Å²	83.6	33%	0.331	44%	0.443	S	S	.	.	I	π-helix	trans	-72.9	-39.3	-174.7	0	0	0	0	0	112.5	V502 L509 V510	V502-A506 HydrophobicContact CG1-CB 4.34Å; V502-A506 VanDerWaalsContact O-CB 3.32Å; V502-A506 WeakPolarHBondContact O-CB 3.44Å; V502-A506 PolarHBondContact O-N 3.48Å; A506-L509 PolarHBondContact O-N 2.97Å; A506-V510 WeakPolarHBondContact O-CB 3.41Å; A506-V510 VanDerWaalsContact O-CG2 3.3Å; A506-V510 WeakPolarHBondContact O-CG2 3.27Å; A506-V510 PolarHBondContact O-N 3.46Å
507	L	81.3	Confident	80.4	Confident	91 Å²	91	81.2 Å²	81.2	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-48.1	179.4	-161	130.9	0	0	0	113.7	V502 L503 V510 L511	V502-L507 PolarHBondContact O-N 3.47Å; L503-L507 HydrophobicContact CD2-CD1 4.04Å; L503-L507 VanDerWaalsContact O-CB 3.32Å; L503-L507 WeakPolarHBondContact O-CB 3.28Å; L507-V510 PolarHBondContact O-N 2.01Å; L507-L511 HydrophobicContact CD2-CD1 3.9Å; L507-L511 WeakPolarHBondContact O-CG 2.9Å; L507-L511 PolarHBondContact O-N 3Å
508	P	82.6	Confident	79.3	Confident	48 Å²	48	85.3 Å²	85.3	31%	0.312	48%	0.475	S	S	.	.	H	α-helix	trans	-67	-35.1	173	22.6	-30.1	0	0	0	113.2	T504 V505 L511 I512	T504-P508 WeakPolarHBondContact O-CG 3.41Å; V505-P508 WeakPolarHBondContact O-CD 3.22Å; V505-P508 WeakPolarHBondContact O-CG 3.32Å; P508-L511 PolarHBondContact O-N 3.08Å; P508-I512 WeakPolarHBondContact O-CB 3.2Å; P508-I512 VanDerWaalsContact O-CG1 3.25Å; P508-I512 WeakPolarHBondContact O-CG1 3.4Å; P508-I512 PolarHBondContact O-N 3.18Å
509	L	83.1	Confident	77.8	Confident	92 Å²	92	82.3 Å²	82.3	48%	0.482	48%	0.48	S	S	.	.	H	α-helix	trans	-61	-44.7	173.4	-83.6	169.2	0	0	0	112.1	V505 A506 L511 I512 I513	V505-L509 HydrophobicContact CG1-CD1 4.01Å; V505-L509 WeakPolarHBondContact O-CB 3.49Å; V505-L509 WeakPolarHBondContact O-CG 3.38Å; V505-L509 PolarHBondContact O-N 3.37Å; A506-L509 PolarHBondContact O-N 2.97Å; L509-L511 VanDerWaalsContact C-N 3.35Å; L509-L511 PolarHBondContact O-N 3.07Å; L509-I512 PolarHBondContact O-N 3.16Å; L509-I513 WeakPolarHBondContact O-CB 3.43Å; L509-I513 VanDerWaalsContact O-CG1 3.27Å; L509-I513 WeakPolarHBondContact O-CG1 3.35Å; L509-I513 PolarHBondContact O-N 2.84Å
510	V	82.7	Confident	75.9	Confident	88 Å²	88	86.9 Å²	86.9	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.2	168.8	0	0	0	0	111	A506 L507 I512 I513 V514	A506-V510 WeakPolarHBondContact O-CB 3.41Å; A506-V510 VanDerWaalsContact O-CG2 3.3Å; A506-V510 WeakPolarHBondContact O-CG2 3.27Å; A506-V510 PolarHBondContact O-N 3.46Å; L507-V510 PolarHBondContact O-N 2.01Å; V510-I512 PolarHBondContact O-N 2.91Å; V510-I513 PolarHBondContact O-N 3.41Å; V510-V514 HydrophobicContact CG1-CG2 4.39Å; V510-V514 WeakPolarHBondContact O-CB 3.31Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.45Å; V510-V514 PolarHBondContact O-N 3.01Å
511	L	81.9	Confident	73.6	Confident	107 Å²	107	90 Å²	90	56%	0.56	52%	0.52	S	S	*	.	H	α-helix	trans	-62.1	-42.4	175.3	-72.4	171.5	0	0	0	112	L507 P508 L509 V514 F515	L507-L511 HydrophobicContact CD2-CD1 3.9Å; L507-L511 WeakPolarHBondContact O-CG 2.9Å; L507-L511 PolarHBondContact O-N 3Å; P508-L511 PolarHBondContact O-N 3.08Å; L509-L511 VanDerWaalsContact C-N 3.35Å; L509-L511 PolarHBondContact O-N 3.07Å; L511-V514 PolarHBondContact O-N 2.69Å; L511-F515 WeakPolarHBondContact O-CB 3.43Å; L511-F515 PolarHBondContact O-N 2.77Å
512	I	82.5	Confident	71.3	Confident	72 Å²	72	93 Å²	93	37%	0.369	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-47.4	175.8	-69.8	163.3	0	0	0	110.7	P508 L509 V510 V514 F515 C516	P508-I512 WeakPolarHBondContact O-CB 3.2Å; P508-I512 VanDerWaalsContact O-CG1 3.25Å; P508-I512 WeakPolarHBondContact O-CG1 3.4Å; P508-I512 PolarHBondContact O-N 3.18Å; L509-I512 PolarHBondContact O-N 3.16Å; V510-I512 PolarHBondContact O-N 2.91Å; I512-V514 PolarHBondContact O-N 3.34Å; I512-F515 PolarHBondContact O-N 3.3Å; I512-C516 VanDerWaalsContact O-CB 3.27Å; I512-C516 WeakPolarHBondContact O-CB 3.49Å; I512-C516 PolarHBondContact O-N 3.29Å; I512-C516 PolarHBondContact O-SG 3.29Å; I512-C516 VanDerWaalsContact O-SG 3.41Å
513	I	81.3	Confident	68.9	Low	99 Å²	99	94.9 Å²	94.9	51%	0.508	57%	0.565	S	S	.	*	H	α-helix	trans	-61.5	-44.2	178.7	-69.3	164.3	0	0	0	110.7	L509 V510 C517	L509-I513 WeakPolarHBondContact O-CB 3.43Å; L509-I513 VanDerWaalsContact O-CG1 3.27Å; L509-I513 WeakPolarHBondContact O-CG1 3.35Å; L509-I513 PolarHBondContact O-N 2.84Å; V510-I513 PolarHBondContact O-N 3.41Å; I513-C517 WeakPolarHBondContact O-CB 3.47Å; I513-C517 PolarHBondContact O-N 2.66Å
514	V	79.8	Confident	66.4	Low	76 Å²	76	93 Å²	93	46%	0.461	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-46.6	176	171	0	0	0	0	110.7	V510 L511 I512 C516 T518	V510-V514 HydrophobicContact CG1-CG2 4.39Å; V510-V514 WeakPolarHBondContact O-CB 3.31Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.45Å; V510-V514 PolarHBondContact O-N 3.01Å; L511-V514 PolarHBondContact O-N 2.69Å; I512-V514 PolarHBondContact O-N 3.34Å; V514-C516 PolarHBondContact O-N 3.34Å; V514-T518 HydrophobicContact CG1-CG2 4.38Å; V514-T518 WeakPolarHBondContact O-CG2 3.47Å; V514-T518 PolarHBondContact O-N 3.02Å; V514-T518 PolarHBondContact O-OG1 2.64Å
515	F	76.9	Confident	64	Low	107 Å²	107	95.2 Å²	95.2	47%	0.469	59%	0.59	S	S	.	*	H	α-helix	trans	-69.2	-32.5	-177.8	-129.7	-92.6	0	0	0	113.8	K4 F8 L511 I512	K4-F515 HydrophobicContact CB-CZ 4.31Å; K4-F515 HydrophobicContact CD-CZ 4.28Å; K4-F515 HydrophobicContact CG-CZ 4.48Å; F8-F515 AromaticContact CD2-CD1 3.56Å; F8-F515 HydrophobicContact CD2-CD1 3.56Å; F8-F515 AromaticContact CD2-CE1 3.74Å; F8-F515 HydrophobicContact CD2-CE1 3.74Å; F8-F515 HydrophobicContact CD2-CG 4.36Å; F8-F515 HydrophobicContact CE2-CB 4.24Å; F8-F515 AromaticContact CE2-CD1 3.49Å; F8-F515 HydrophobicContact CE2-CD1 3.49Å; F8-F515 VanDerWaalsContact CE2-CD1 3.49Å; F8-F515 HydrophobicContact CE2-CE1 4.15Å; F8-F515 HydrophobicContact CE2-CG 4.15Å; L511-F515 WeakPolarHBondContact O-CB 3.43Å; L511-F515 PolarHBondContact O-N 2.77Å; I512-F515 PolarHBondContact O-N 3.3Å
516	C	71.8	Confident	61.7	Low	79 Å²	79	96.1 Å²	96.1	53%	0.534	61%	0.605	S	S	.	*	H	α-helix	trans	-88.2	-33.2	-178.8	-68.7	0	0	0	0	113.3	I512 V514	I512-C516 VanDerWaalsContact O-CB 3.27Å; I512-C516 WeakPolarHBondContact O-CB 3.49Å; I512-C516 PolarHBondContact O-N 3.29Å; I512-C516 PolarHBondContact O-SG 3.29Å; I512-C516 VanDerWaalsContact O-SG 3.41Å; V514-C516 PolarHBondContact O-N 3.34Å
517	C	63.7	Low	59.4	Low	100 Å²	100	102.9 Å²	102.9	68%	0.676	63%	0.629	S	S	*	*	H	α-helix	trans	-97.5	-20.3	-173.3	-60.6	0	0	0	0	114.7	I513 G519	I513-C517 WeakPolarHBondContact O-CB 3.47Å; I513-C517 PolarHBondContact O-N 2.66Å; C517-G519 PolarHBondContact O-N 2.59Å
518	T	58.8	Low	56.8	Low	114 Å²	114	105.6 Å²	105.6	70%	0.699	65%	0.645	S	S	*	*	S	Bend	trans	-85.7	50.7	177.1	70.6	0	0	0	0	112.7	V514	V514-T518 HydrophobicContact CG1-CG2 4.38Å; V514-T518 WeakPolarHBondContact O-CG2 3.47Å; V514-T518 PolarHBondContact O-N 3.02Å; V514-T518 PolarHBondContact O-OG1 2.64Å
519	G	50.3	Low	54.3	Low	53 Å²	53	107.7 Å²	107.7	55%	0.546	66%	0.661	S	S	.	*			trans	-123.1	26.8	-157.8	0	0	0	0	0	118.7	C517	C517-G519 PolarHBondContact O-N 2.59Å
520	K	43.5	Very low	51.7	Low	206 Å²	206	111.7 Å²	111.7	90%	0.896	68%	0.681	S	S	*	*			trans	-167.3	154.1	160.8	-115.3	148.4	-171.3	164.3	0	118.9
521	S	37.5	Very low	49.1	Very low	120 Å²	120	112.1 Å²	112.1	84%	0.839	69%	0.688	S	S	*	*			trans	95.7	132.5	172.5	75.9	0	0	0	0	115.7
522	S	33.3	Very low	46.6	Very low	116 Å²	116	114.4 Å²	114.4	81%	0.811	70%	0.7	S	S	*	*			cis	-151.9	164.6	-3	53.6	0	0	0	0	113
523	S	32.8	Very low	43.9	Very low	121 Å²	121	117.7 Å²	117.7	85%	0.846	72%	0.724	S	S	*	*			trans	-81.4	161.7	168	50.5	0	0	0	0	112.2
524	G	30.2	Very low	41.2	Very low	63 Å²	63	118.7 Å²	118.7	65%	0.649	74%	0.74	S	S	*	*			cis	168.7	-171.8	4.2	0	0	0	0	0	111.2
525	S	29.5	Very low	38.8	Very low	131 Å²	131	122 Å²	122	92%	0.916	75%	0.754	S	S	*	*			trans	71.1	158	-176.7	81.9	0	0	0	0	115.9
526	A	33.1	Very low	36.4	Very low	95 Å²	95	123.9 Å²	123.9	79%	0.785	76%	0.764	S	S	*	*			cis	-173	163.1	-24.6	0	0	0	0	0	109.6
527	Q	31.9	Very low	34.3	Very low	182 Å²	182	127.5 Å²	127.5	85%	0.85	77%	0.773	S	S	*	*			cis	-174.2	115.8	-31.4	176.8	-159.1	-97.9	0	0	110.5
528	D	25.4	Very low	32.6	Very low	149 Å²	149	130.7 Å²	130.7	80%	0.797	78%	0.778	S	S	*	*			trans	-158.9	127.7	165	-102.6	-33.5	0	0	0	109.7
529	S	31.4	Very low	31.1	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	77%	0.774	S	S	*	*			cis	90.5	105.1	45.2	101.7	0	0	0	0	114.6
530	L	27	Very low	29.9	Very low	175 Å²	175	137.9 Å²	137.9	92%	0.916	79%	0.79	S	S	*	*			trans	166.9	119.2	133.7	-92.7	158.5	0	0	0	111.3
531	S	28.3	Very low	29	Very low	97 Å²	97	131.3 Å²	131.3	68%	0.678	78%	0.781	S	S	*	*			trans	-90.7	158	169.8	59.5	0	0	0	0	111.4
532	L	29.6	Very low	28.5	Very low	156 Å²	156	130.8 Å²	130.8	82%	0.817	78%	0.784	S	S	*	*			trans	37	100.2	144.9	-76.9	163.6	0	0	0	116.9
533	T	25.2	Very low	28.2	Very low	141 Å²	141	128.7 Å²	128.7	87%	0.865	78%	0.78	S	S	*	*				-179.5	125.8	100.6	34.6	0	0	0	0	110.9
534	S	24.5	Very low	27.8	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	78%	0.779	S	S	*	*				-159.6	125.5	112.6	-164.3	0	0	0	0	109
535	L	30	Very low	27.5	Very low	144 Å²	144	133.6 Å²	133.6	75%	0.754	79%	0.789	S	S	*	*			trans	-66.6	147	160.7	-75	165.8	0	0	0	108.8
536	Q	27.7	Very low	27.7	Very low	147 Å²	147	134.8 Å²	134.8	69%	0.687	78%	0.78	S	S	*	*				67.1	133.3	128.6	-161.6	161.3	-13.5	0	0	116.2
537	E	26.5	Very low	27.9	Very low	155 Å²	155	136 Å²	136	72%	0.724	78%	0.78	S	S	*	*			cis	-156.9	-176	36.6	-155	143.5	-146.2	0	0	111.4
538	E	29.3	Very low	27.6	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	78%	0.78	S	S	*	*			trans	73	155.5	173.1	-63.5	-129.8	110.9	0	0	118.9
539	L	25.8	Very low	27.7	Very low	117 Å²	117	137.6 Å²	137.6	61%	0.613	78%	0.78	S	S	*	*			cis	-169.5	118.8	-37.1	-163.4	85.4	0	0	0	108
540	K	24.7	Very low	27.7	Very low	201 Å²	201	142.2 Å²	142.2	87%	0.874	79%	0.789	S	S	*	*			trans	63.6	150.8	173.8	-60.4	158.1	-178.7	171.3	0	116.2
541	G	25.1	Very low	27.4	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	78%	0.784	S	S	*	*			cis	173.6	171.8	-6	0	0	0	0	0	113.2
542	A	28.2	Very low	27.5	Very low	109 Å²	109	141.6 Å²	141.6	90%	0.901	79%	0.788	S	S	*	*			trans	62.7	128.7	179.5	0	0	0	0	0	115.7
543	G	26.3	Very low	28.2	Very low	72 Å²	72	140 Å²	140	74%	0.742	79%	0.787	S	S	*	*			cis	107	133.4	28	0	0	0	0	0	107.9
544	C	23.8	Very low	28.1	Very low	122 Å²	122	138.2 Å²	138.2	82%	0.824	79%	0.787	S	S	*	*			cis	-156.9	175.8	20.1	-86.8	0	0	0	0	107.6
545	L	24.9	Very low	28.5	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	79%	0.787	S	S	*	*			cis	-153.8	163.4	-3.2	-119.8	160.6	0	0	0	107.9
546	Q	33.1	Very low	28.2	Very low	156 Å²	156	140.1 Å²	140.1	73%	0.729	80%	0.796	S	S	*	*			trans	-104.9	-178	-173.1	-121.5	-172.6	23.2	0	0	110.8
547	P	36.9	Very low	28.1	Very low	121 Å²	121	143.5 Å²	143.5	79%	0.786	80%	0.804	S	S	*	*			cis	-142.5	169.8	39.1	38.4	-16.3	0	0	0	119.5
548	E	25.1	Very low	28.1	Very low	179 Å²	179	145 Å²	145	84%	0.836	81%	0.808	S	S	*	*			trans	-103.5	-170.1	174.9	-100.5	-157.1	104.9	0	0	113.3
549	K	29.3	Very low	27.9	Very low	185 Å²	185	145.8 Å²	145.8	80%	0.804	81%	0.809	S	S	*	*			trans	-101.4	167.6	-163.9	-128.8	173.9	-172	173.9	0	114
550	K	29.6	Very low	27.9	Very low	190 Å²	190	145 Å²	145	83%	0.826	81%	0.81	S	S	*	*			trans	79.4	149.6	165.1	-60.4	165.3	178	177.8	0	114.9
551	T	21.8	Very low	28	Very low	134 Å²	134	142.4 Å²	142.4	82%	0.822	81%	0.805	S	S	*	*				-161.9	165.1	57.1	-4.8	0	0	0	0	114.3
552	T	31	Very low	28.3	Very low	124 Å²	124	147.5 Å²	147.5	76%	0.761	81%	0.81	S	S	*	*			trans	-69.5	174	161.6	45.5	0	0	0	0	111.2
553	P	43.5	Very low	28.8	Very low	123 Å²	123	147.7 Å²	147.7	80%	0.799	80%	0.802	S	S	*	*			cis	-161.1	-157.1	46.2	46.1	-21.4	0	0	0	118
554	A	24	Very low	29.3	Very low	104 Å²	104	151.9 Å²	151.9	86%	0.86	80%	0.803	S	S	*	*			trans	122.9	153.4	149.1	0	0	0	0	0	116.4
555	A	31.9	Very low	29.7	Very low	101 Å²	101	152 Å²	152	84%	0.835	80%	0.801	S	S	*	*			trans	-138.9	151.5	-163.3	0	0	0	0	0	113.5
556	E	22.9	Very low	29.9	Very low	202 Å²	202	150.2 Å²	150.2	94%	0.944	79%	0.793	S	S	*	*			trans	-152.2	176.5	161.6	-137.8	177.6	147.5	0	0	112.3
557	Y	26.4	Very low	29.8	Very low	218 Å²	218	149.1 Å²	149.1	86%	0.855	80%	0.797	S	S	*	*			trans	-122.3	156.3	-154.3	-117.7	-95.2	0	0	0	114.2
558	K	26.7	Very low	29.5	Very low	188 Å²	188	152 Å²	152	82%	0.817	80%	0.797	S	S	*	*			trans	98.3	112.9	153.1	-73.5	176	179.6	173.1	0	123
559	K	25.1	Very low	29.7	Very low	183 Å²	183	152.4 Å²	152.4	80%	0.796	80%	0.799	S	S	*	*				89.4	142.9	119.4	-148.5	-154.3	178.5	-161.8	0	120.9
560	T	25.5	Very low	29.7	Very low	101 Å²	101	152.2 Å²	152.2	62%	0.62	80%	0.801	S	S	*	*			trans	65.9	146.9	166	36.7	0	0	0	0	116
561	D	28	Very low	29.7	Very low	146 Å²	146	151.9 Å²	151.9	78%	0.781	80%	0.802	S	S	*	*			cis	-154.4	-179.1	-0.2	-121.1	-40.3	0	0	0	110.3
562	E	31.4	Very low	30	Very low	175 Å²	175	154.8 Å²	154.8	82%	0.818	81%	0.807	S	S	*	*			trans	-60	176.7	171.1	-89.4	176.4	97	0	0	115.8
563	P	38	Very low	29.8	Very low	113 Å²	113	156.3 Å²	156.3	73%	0.734	81%	0.81	S	S	*	*			cis	-133.3	-163	-21.3	33.4	-11	0	0	0	113.7
564	Q	35.7	Very low	29.2	Very low	161 Å²	161	159.9 Å²	159.9	75%	0.752	82%	0.816	S	S	*	*			trans	-64.6	169.9	172.1	-63.1	172.1	-82.3	0	0	113.9
565	P	33.7	Very low	29.4	Very low	123 Å²	123	164 Å²	164	80%	0.799	82%	0.818	S	S	*	*				-136.1	160	101.6	39.3	-30.4	0	0	0	115.2
566	D	29.2	Very low	29.2	Very low	128 Å²	128	168.7 Å²	168.7	68%	0.684	82%	0.822	S	S	*	*			trans	-66.2	168.2	167.5	-47.2	-74.8	0	0	0	112.5
567	V	31.1	Very low	29.5	Very low	133 Å²	133	167.9 Å²	167.9	81%	0.806	82%	0.818	S	S	*	*				-175.3	123.8	123.2	142.7	0	0	0	0	111.9
568	K	29	Very low	29.5	Very low	180 Å²	180	165.6 Å²	165.6	78%	0.783	82%	0.821	S	S	*	*			trans	60.7	119.4	149.6	-71	-175.8	173.3	-163.9	0	122.5
569	E	30.6	Very low	29.6	Very low	188 Å²	188	165.8 Å²	165.8	88%	0.879	82%	0.822	S	S	*	*			trans	-55.6	144.6	138.9	-61.2	149.7	152.8	0	0	110.8
570	E	29.3	Very low	29.7	Very low	181 Å²	181	162 Å²	162	85%	0.846	83%	0.825	S	S	*	*			trans	-121.1	137.8	158.6	-71.3	-173.8	157.6	0	0	107.3
571	E	28.4	Very low	29.8	Very low	184 Å²	184	167 Å²	167	86%	0.86	84%	0.841	S	S	*	*			trans	-82.7	140.5	-176.9	-65	169	132.1	0	0	109.5
572	E	28.8	Very low	29.7	Very low	195 Å²	195	169.2 Å²	169.2	91%	0.911	85%	0.846	S	S	*	*			trans	-91.6	107.3	173.1	-70.9	180	145.5	0	0	108.9
573	D	27.4	Very low	29.5	Very low	156 Å²	156	165.6 Å²	165.6	83%	0.834	85%	0.846	S	S	*	*			trans	-82.6	120.5	167.8	-76.3	-47.5	0	0	0	109.7
574	E	29.3	Very low	28.9	Very low	197 Å²	197	169.7 Å²	169.7	92%	0.921	85%	0.853	S	S	*	*			trans	-96.4	111.5	167.5	-67.5	-171.8	150.9	0	0	109.5
575	E	29.1	Very low	28.5	Very low	192 Å²	192	166.4 Å²	166.4	90%	0.897	85%	0.848	S	S	*	*			trans	-95.1	130.5	169.1	-71.7	-170.8	149.9	0	0	110.7
576	E	27.9	Very low	28.2	Very low	199 Å²	199	170.8 Å²	170.8	93%	0.93	85%	0.848	S	S	*	*			trans	-76.5	135	173.7	-68.6	-170.7	126.4	0	0	111.9	D578	E576-D578 PolarHBondContact O-N 2.95Å
577	E	28.4	Very low	28.7	Very low	185 Å²	185	170.6 Å²	170.6	86%	0.864	85%	0.854	S	S	*	*			trans	-84.8	104.8	169.3	-78.3	-165.8	148.5	0	0	111.7
578	D	27.8	Very low	28.4	Very low	170 Å²	170	167.8 Å²	167.8	91%	0.909	85%	0.845	S	S	*	*			trans	-75.2	128.5	168.5	-118.2	-27.5	0	0	0	111.4	E576	E576-D578 PolarHBondContact O-N 2.95Å
579	K	27.5	Very low	28.2	Very low	192 Å²	192	163.7 Å²	163.7	84%	0.835	84%	0.844	S	S	*	*			trans	-102.5	112.1	175.9	-81.1	-171.4	176.9	-179.7	0	112.3
580	A	27.5	Very low	28	Very low	104 Å²	104	163.8 Å²	163.8	86%	0.86	85%	0.845	S	S	*	*			trans	-110.8	120.5	163	0	0	0	0	0	110.6
581	E	27.1	Very low	27.9	Very low	205 Å²	205	160.4 Å²	160.4	96%	0.958	83%	0.833	S	S	*	*			trans	-93.8	130.9	165	-80.3	-165.3	137.5	0	0	110.2
582	E	26.9	Very low	27.9	Very low	192 Å²	192	159.5 Å²	159.5	90%	0.897	83%	0.826	S	S	*	*			trans	-119.2	141.1	172.7	-164.4	-177.5	-161.6	0	0	110.9
583	A	26.1	Very low	27.7	Very low	99 Å²	99	156.3 Å²	156.3	82%	0.818	82%	0.815	S	S	*	*			trans	-77	156.6	-173.3	0	0	0	0	0	114.3
584	K	26.5	Very low	27.7	Very low	199 Å²	199	154.5 Å²	154.5	87%	0.865	81%	0.805	S	S	*	*			trans	-114.4	109.2	-178.9	-87.2	-176.2	177.9	172.3	0	115.4
585	S	27.1	Very low	27.6	Very low	92 Å²	92	153.8 Å²	153.8	64%	0.643	80%	0.802	S	S	*	*				52.7	120.5	125.7	69.8	0	0	0	0	124.5
586	R	27.8	Very low	27.6	Very low	216 Å²	216	152.7 Å²	152.7	82%	0.815	80%	0.797	S	S	*	*				75.3	168.5	120.6	-69.2	-174.2	77.3	-165.4	4.3	119.6
587	P	39	Very low	27.5	Very low	123 Å²	123	151.7 Å²	151.7	80%	0.799	79%	0.792	S	S	*	*			cis	-129.3	-155	6.2	33.8	-10.6	0	0	0	113.7
588	A	25.1	Very low	27.5	Very low	75 Å²	75	146.8 Å²	146.8	62%	0.62	78%	0.783	S	S	*	*				-179.2	131.5	-60.2	0	0	0	0	0	109.1
589	A	24.9	Very low	27.4	Very low	93 Å²	93	143.7 Å²	143.7	77%	0.769	78%	0.781	S	S	*	*			trans	-172.7	122	161.7	0	0	0	0	0	109.1
590	E	26.7	Very low	27.4	Very low	191 Å²	191	138.5 Å²	138.5	89%	0.893	77%	0.774	S	S	*	*				59.2	129.7	96.7	-76.1	-171.2	176.6	0	0	115.2
591	D	26.7	Very low	27.4	Very low	110 Å²	110	141.9 Å²	141.9	59%	0.588	77%	0.772	S	S	*	*			cis	-169.5	156.5	2.7	-165.5	8.9	0	0	0	111.3
592	K	27.3	Very low	27.4	Very low	165 Å²	165	140.5 Å²	140.5	72%	0.717	77%	0.766	S	S	*	*			trans	60.5	138	162.2	-75.1	152.5	-172.3	142.1	0	120.7
593	N	25.5	Very low	27.5	Very low	127 Å²	127	140.4 Å²	140.4	68%	0.679	77%	0.765	S	S	*	*			cis	-171.4	138.1	37.9	-137.4	63.5	0	0	0	113.7
594	D	27.5	Very low	27.5	Very low	118 Å²	118	145 Å²	145	63%	0.631	77%	0.77	S	S	*	*			trans	30	133.1	144.4	-46.1	-29.8	0	0	0	126.1
595	E	28.1	Very low	27.5	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	77%	0.766	S	S	*	*			trans	58.9	150.2	138.4	-60.4	174.5	155.6	0	0	119.9
596	E	27.3	Very low	27.5	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.794	78%	0.775	S	S	*	*			cis	-156.5	179.3	18.1	-150.7	174.9	175.3	0	0	111.4
597	E	26.9	Very low	27.5	Very low	178 Å²	178	141.6 Å²	141.6	83%	0.832	77%	0.774	S	S	*	*			trans	-22.8	168.8	170	-71	-169.1	165.8	0	0	121
598	A	27.1	Very low	26.9	Very low	81 Å²	81	144.3 Å²	144.3	67%	0.669	78%	0.776	S	S	*	*			cis	162.1	150.4	-18.9	0	0	0	0	0	106.8
599	A	26.7	Very low	26.9	Very low	105 Å²	105	144.9 Å²	144.9	87%	0.868	78%	0.781	S	S	*	*			trans	62.4	163.2	169.7	0	0	0	0	0	118.1
600	A	27	Very low	26.9	Very low	83 Å²	83	146.6 Å²	146.6	69%	0.686	78%	0.782	S	S	*	*			cis	-170	171.3	-32.5	0	0	0	0	0	108.5
601	E	28.2	Very low	26.8	Very low	175 Å²	175	143.5 Å²	143.5	82%	0.818	78%	0.776	S	S	*	*			trans	69.7	114.9	165.2	-68.2	171.3	-167.6	0	0	117.4
602	E	27.8	Very low	26.8	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	79%	0.789	S	S	*	*				77.4	115.9	89.8	-72.6	-166.1	175.8	0	0	115.4
603	E	27.3	Very low	26.9	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	79%	0.79	S	S	*	*				170.3	174	95.1	-137	-171.1	-172.5	0	0	111.7
604	E	27	Very low	27	Very low	195 Å²	195	148.3 Å²	148.3	91%	0.911	79%	0.791	S	S	*	*			trans	-84.2	168.3	-170.7	-54.3	-173.9	145.5	0	0	115.3
605	G	25.9	Very low	27.2	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	79%	0.792	S	S	*	*			trans	169.5	102.9	161.8	0	0	0	0	0	117.1
606	E	28	Very low	27.4	Very low	175 Å²	175	148 Å²	148	82%	0.818	79%	0.79	S	S	*	*			trans	-64.9	146.3	167.4	-54.3	173.1	116.8	0	0	112.6
607	K	27.1	Very low	27.6	Very low	183 Å²	183	145.9 Å²	145.9	80%	0.796	78%	0.784	S	S	*	*				178	160.6	110.7	-99.2	164	-173.4	167.9	0	118.3
608	E	26.5	Very low	28	Very low	181 Å²	181	143.4 Å²	143.4	85%	0.846	78%	0.776	S	S	*	*			trans	-59.3	140.6	-170.7	-58.6	166.9	113.9	0	0	118.6
609	A	25.9	Very low	28.3	Very low	87 Å²	87	145 Å²	145	72%	0.719	77%	0.772	S	S	*	*			trans	19.6	130.9	131.9	0	0	0	0	0	123
610	T	24.5	Very low	28.5	Very low	129 Å²	129	149.8 Å²	149.8	79%	0.791	77%	0.768	S	S	*	*				177	111.4	116.1	26.8	0	0	0	0	108.4
611	T	24.4	Very low	28.7	Very low	126 Å²	126	157.3 Å²	157.3	77%	0.773	78%	0.778	S	S	*	*				62.5	115.2	86.4	61.1	0	0	0	0	117.4
612	E	27.8	Very low	28.9	Very low	186 Å²	186	154.3 Å²	154.3	87%	0.869	78%	0.777	S	S	*	*			trans	167.2	138.1	148.2	-94.8	178.1	-171.6	0	0	106.3
613	E	28.8	Very low	30	Very low	156 Å²	156	151 Å²	151	73%	0.729	77%	0.771	S	S	*	*			cis	-148.6	142.2	-6.6	-90.8	-174.8	140.1	0	0	106.9
614	K	27.9	Very low	30.3	Very low	160 Å²	160	153.1 Å²	153.1	70%	0.696	77%	0.771	S	S	*	*				54.9	146	81.8	-76	177.1	153.2	-135.8	0	115.1
615	E	30	Very low	30.5	Very low	143 Å²	143	149 Å²	149	67%	0.668	76%	0.764	S	S	*	*			cis	-149.5	170	-1.5	-113.9	146.7	-179.1	0	0	105.6
616	D	32.3	Very low	30.9	Very low	150 Å²	150	157.1 Å²	157.1	80%	0.802	77%	0.77	S	S	*	*			cis	-106.4	-175.2	15.5	-65.8	-54.8	0	0	0	112.3
617	D	33.4	Very low	31.3	Very low	126 Å²	126	159.4 Å²	159.4	67%	0.674	77%	0.771	S	S	*	*			cis	85.2	132.2	15.2	-130.9	14.9	0	0	0	113.8
618	I	33.6	Very low	31.9	Very low	127 Å²	127	158.1 Å²	158.1	65%	0.651	77%	0.772	S	S	*	*			cis	-156.9	131.4	35.9	-90.1	-176.3	0	0	0	111.8
619	L	33.4	Very low	32.2	Very low	113 Å²	113	160.1 Å²	160.1	59%	0.592	77%	0.772	S	S	*	*			trans	46.5	147.4	134.6	-45.9	-177.2	0	0	0	121.7
620	R	31.3	Very low	32.9	Very low	207 Å²	207	164.2 Å²	164.2	78%	0.781	77%	0.774	S	S	*	*			cis	-174.9	169	4.6	-120.4	170.2	-172.7	168.4	4.1	112.2
621	R	32.4	Very low	33.8	Very low	240 Å²	240	169.2 Å²	169.2	91%	0.906	80%	0.796	S	S	*	*			trans	89.7	100.5	152.5	-78.4	173	175.4	-176.6	-1.8	121.6
622	S	32.1	Very low	34.2	Very low	112 Å²	112	171.4 Å²	171.4	78%	0.783	80%	0.797	S	S	*	*			trans	-69.5	-178.9	136.1	-97	0	0	0	0	112.5
623	P	50.8	Low	34.6	Very low	108 Å²	108	170.6 Å²	170.6	70%	0.701	79%	0.793	S	S	*	*			cis	-140.9	-166	-28.5	36.8	-16.5	0	0	0	114.5
624	R	33.8	Very low	34.9	Very low	235 Å²	235	171.4 Å²	171.4	89%	0.887	80%	0.797	S	S	*	*			trans	86.3	117	152.6	-80.5	-178.4	175.7	175.2	-0.8	122.6
625	S	31.3	Very low	35.3	Very low	109 Å²	109	172.1 Å²	172.1	76%	0.762	80%	0.803	S	S	*	*				54	125.3	127.8	142.4	0	0	0	0	122.2
626	R	33.2	Very low	35.6	Very low	246 Å²	246	173.9 Å²	173.9	93%	0.928	81%	0.811	S	S	*	*				-167.7	164.1	111	-121.9	178.1	-179.3	164.5	0.4	115.5
627	R	37.2	Very low	35.8	Very low	224 Å²	224	175.5 Å²	175.5	85%	0.845	81%	0.812	S	S	*	*			trans	-84.5	160.4	178.9	-82	-179.8	169.4	177.5	-4	114.6
628	L	38.4	Very low	36	Very low	156 Å²	156	179.1 Å²	179.1	82%	0.817	82%	0.821	S	S	*	*			trans	69	148.5	154.1	-68.3	154.3	0	0	0	115.8
629	R	34.1	Very low	36.2	Very low	222 Å²	222	183.1 Å²	183.1	84%	0.838	83%	0.834	S	S	*	*			cis	-159.7	165.4	30	-155.4	-178.5	-168.2	164	1.3	110.9
630	K	39.3	Very low	36.4	Very low	174 Å²	174	188.9 Å²	188.9	76%	0.757	86%	0.855	S	S	*	*			trans	0.4	138.7	157.1	-81.8	-167.8	166.3	-159.7	0	118.8
631	D	43.3	Very low	36.9	Very low	234 Å²	234	187.3 Å²	187.3	100%	1.251	86%	0.861	S	S	*	*				-124.2	0	96.5	-88.7	-40.1	0	0	0	109.7

Retrieved 631 of 631 residues in 95.9 ms (Link to these results)

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