A0A3Q0KMB1_SCHMA Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A3Q0KMB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 682 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	35	Very low	233 Å²	233	149 Å²	149	100%	1.148	85%	0.854	S	S	*	*				0	79.2	0	-68.6	172.7	165.7	0	0	104.7
2	S	37.4	Very low	34.9	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	85%	0.846	S	S	*	*				48.6	113.7	89.1	65.7	0	0	0	0	109.9
3	D	36.7	Very low	34.3	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	85%	0.848	S	S	*	*			cis	-150.5	152.3	27.9	-75.1	-51.7	0	0	0	111.5
4	N	36.2	Very low	34.2	Very low	160 Å²	160	149 Å²	149	86%	0.856	85%	0.85	S	S	*	*			trans	-82.7	133.7	178.3	-81.4	-21.8	0	0	0	111.4
5	D	30.9	Very low	33.7	Very low	169 Å²	169	149.6 Å²	149.6	90%	0.904	85%	0.85	S	S	*	*			trans	-70	119.9	156.5	-77.8	-46.4	0	0	0	109.9
6	E	38.7	Very low	33.3	Very low	184 Å²	184	146.6 Å²	146.6	86%	0.86	84%	0.841	S	S	*	*			trans	-135.4	135.1	159.3	-91.5	-170.3	164.5	0	0	111
7	A	34.3	Very low	33.1	Very low	102 Å²	102	147.2 Å²	147.2	84%	0.843	84%	0.841	S	S	*	*			trans	-69.6	136.4	-166.8	0	0	0	0	0	113.6	G9	A7-G9 PolarHBondContact O-N 2.82Å
8	I	37.2	Very low	32.7	Very low	173 Å²	173	150.3 Å²	150.3	89%	0.887	85%	0.847	S	S	*	*			trans	-79.1	114.1	168.4	-63.8	173.2	0	0	0	108.2
9	G	33.2	Very low	32.6	Very low	60 Å²	60	146.8 Å²	146.8	62%	0.619	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-71.9	173	177.2	0	0	0	0	0	114.6	A7	A7-G9 PolarHBondContact O-N 2.82Å
10	P	34.6	Very low	32.3	Very low	133 Å²	133	147.8 Å²	147.8	86%	0.864	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-80.4	147.5	-171.5	33.1	-32.8	0	0	0	112.6
11	L	34.1	Very low	32.2	Very low	167 Å²	167	148.1 Å²	148.1	87%	0.874	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-56.9	142.7	176.5	-78.3	143.9	0	0	0	112.3
12	P	33.2	Very low	31.9	Very low	117 Å²	117	144 Å²	144	76%	0.76	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76.7	132.7	-175.2	30	-31.9	0	0	0	112.2
13	T	27.5	Very low	31.6	Very low	141 Å²	141	145.1 Å²	145.1	87%	0.865	82%	0.822	S	S	*	*			trans	-81.6	114.4	162.4	46.3	0	0	0	0	109.4
14	E	33.2	Very low	31.1	Very low	189 Å²	189	146 Å²	146	88%	0.883	82%	0.82	S	S	*	*			trans	-100.1	127	164.1	-80.5	-169.9	162.5	0	0	110.9
15	N	26	Very low	30.8	Very low	158 Å²	158	144 Å²	144	85%	0.845	81%	0.81	S	S	*	*			trans	-84.4	166.7	170.7	-106.1	-18.8	0	0	0	110.5
16	S	27.1	Very low	30.6	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	80%	0.804	S	S	*	*			trans	86.9	100.8	158.5	70.4	0	0	0	0	118.5
17	N	29.6	Very low	30.1	Very low	158 Å²	158	141 Å²	141	85%	0.845	80%	0.801	S	S	*	*				-169.6	98.6	109.3	-89	-22.2	0	0	0	109.5	A19	N17-A19 PolarHBondContact O-N 2.89Å
18	E	26.8	Very low	30	Very low	203 Å²	203	145.9 Å²	145.9	95%	0.949	80%	0.798	S	S	*	*			trans	-72.5	107.9	155	-73.5	-178.6	153.5	0	0	106.8
19	A	31.6	Very low	29.8	Very low	84 Å²	84	146.6 Å²	146.6	69%	0.694	80%	0.798	S	S	*	*			trans	-106.3	111.3	166.7	0	0	0	0	0	108	N17 D21	N17-A19 PolarHBondContact O-N 2.89Å; A19-D21 PolarHBondContact O-N 2.82Å
20	D	26.3	Very low	30	Very low	166 Å²	166	149.2 Å²	149.2	89%	0.888	80%	0.797	S	S	*	*			trans	-61	94.4	165.3	-92.3	-34.6	0	0	0	109.7	N22	D20-N22 PolarHBondContact O-N 3.46Å
21	D	30.2	Very low	30.5	Very low	154 Å²	154	147 Å²	147	82%	0.824	78%	0.782	S	S	*	*			trans	-84.9	87.2	164.5	-95.7	-18.5	0	0	0	109.5	A19 D23	A19-D21 PolarHBondContact O-N 2.82Å; D21-D23 PolarHBondContact O-N 3.28Å; D21-D23 VanDerWaalsContact O-N 3.08Å
22	N	26	Very low	31.2	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	75%	0.749	S	S	*	*			trans	-80.1	66.3	170	-145.6	2.4	0	0	0	109	D20 Q24	D20-N22 PolarHBondContact O-N 3.46Å; N22-Q24 PolarHBondContact O-N 3.35Å
23	D	30	Very low	32	Very low	122 Å²	122	136.5 Å²	136.5	65%	0.652	73%	0.728	S	S	*	*			trans	-90.1	93.8	-177.1	-149	24.7	0	0	0	110.2	D21 N25	D21-D23 PolarHBondContact O-N 3.28Å; D21-D23 VanDerWaalsContact O-N 3.08Å; D23-N25 PolarHBondContact O-N 3.5Å; D23-N25 PolarHBondContact OD2-ND2 3.3Å
24	Q	26.5	Very low	33.1	Very low	177 Å²	177	130.1 Å²	130.1	83%	0.827	69%	0.689	S	S	*	*			trans	-65.3	79	169.5	-67.2	-179.9	4.9	0	0	109.6	N22 E26	N22-Q24 PolarHBondContact O-N 3.35Å; Q24-E26 PolarHBondContact O-N 3.15Å; Q24-E26 VanDerWaalsContact O-N 3.08Å
25	N	30.2	Very low	34.1	Very low	118 Å²	118	123.1 Å²	123.1	63%	0.631	66%	0.657	S	S	*	*			trans	-74	97.9	169.1	-89.6	-63.1	0	0	0	109.4	D23	D23-N25 PolarHBondContact O-N 3.5Å; D23-N25 PolarHBondContact OD2-ND2 3.3Å
26	E	26.4	Very low	35.3	Very low	167 Å²	167	118.7 Å²	118.7	78%	0.78	64%	0.638	S	S	*	*			trans	-48.5	143.8	158	-75.3	-165.4	152.7	0	0	110.1	Q24 R28	Q24-E26 PolarHBondContact O-N 3.15Å; Q24-E26 VanDerWaalsContact O-N 3.08Å; E26-R28 VanDerWaalsContact C-N 3.29Å; E26-R28 PolarHBondContact O-N 2.92Å
27	P	27.8	Very low	36.5	Very low	124 Å²	124	114.3 Å²	114.3	81%	0.805	61%	0.607	S	S	*	*			trans	-71.2	90.3	176.8	30.9	-30.8	0	0	0	108.1	E29	P27-E29 PolarHBondContact O-N 3.49Å
28	R	33	Very low	37.2	Very low	205 Å²	205	113.7 Å²	113.7	77%	0.774	60%	0.599	S	S	*	*			trans	-51.9	128.3	163.6	-69.4	-175.9	-179.3	-178.6	1.7	106.8	E26 D30	E26-R28 VanDerWaalsContact C-N 3.29Å; E26-R28 PolarHBondContact O-N 2.92Å; R28-D30 VanDerWaalsContact C-N 3.34Å; R28-D30 PolarHBondContact O-N 3.01Å
29	E	33	Very low	37.7	Very low	188 Å²	188	109.6 Å²	109.6	88%	0.879	58%	0.581	S	S	*	*			trans	-50.3	98.5	179.1	-77.7	-174.2	138.2	0	0	109.8	P27 T31	P27-E29 PolarHBondContact O-N 3.49Å; E29-T31 PolarHBondContact O-N 3.06Å
30	D	36.6	Very low	38.2	Very low	114 Å²	114	108.2 Å²	108.2	61%	0.61	56%	0.561	S	S	*	*			trans	-61.3	113.6	-174.9	-82.8	-38.2	0	0	0	108	R28 V32 K329	R28-D30 VanDerWaalsContact C-N 3.34Å; R28-D30 PolarHBondContact O-N 3.01Å; D30-V32 PolarHBondContact O-N 3.35Å; D30-K329 PolarHBondContact O-NZ 2.87Å; D30-K329 VanDerWaalsContact O-NZ 3.17Å
31	T	45.2	Very low	38.7	Very low	88 Å²	88	106.1 Å²	106.1	54%	0.54	55%	0.546	S	S	.	.			trans	-50.3	123.1	160.5	-53	0	0	0	0	105.8	E29 G33 N388	E29-T31 PolarHBondContact O-N 3.06Å; T31-G33 PolarHBondContact O-N 3.27Å; T31-N388 HydrophobicContact CG2-CB 4.37Å
32	V	49.6	Very low	38.7	Very low	32 Å²	32	106.3 Å²	106.3	19%	0.194	54%	0.539	C	S	.	.			trans	-48.6	107.1	-168.9	177	0	0	0	0	109.7	D30 L35 L325 K329 L331	D30-V32 PolarHBondContact O-N 3.35Å; V32-L35 HydrophobicContact CG1-CD1 4.07Å; V32-L325 HydrophobicContact CG1-CD1 4.15Å; V32-L325 HydrophobicContact CG1-CD2 4.36Å; V32-K329 HydrophobicContact CG2-CD 4.03Å; V32-L331 HydrophobicContact CB-CD2 4.41Å; V32-L331 HydrophobicContact CG2-CD2 3.52Å
33	G	48.5	Very low	39.2	Very low	31 Å²	31	107.7 Å²	107.7	32%	0.32	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-61.5	164.4	-177.3	0	0	0	0	0	110.8	T31 L35	T31-G33 PolarHBondContact O-N 3.27Å; G33-L35 PolarHBondContact O-N 3.15Å
34	P	51.7	Low	39.4	Very low	6 Å²	6	109 Å²	109	4%	0.039	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-69.1	122.9	178	31.9	-23.1	0	0	0	107	P36 Y315 I378 V385	P34-P36 WeakPolarHBondContact O-CD 3.47Å; P34-Y315 HydrophobicContact CB-CD1 3.62Å; P34-Y315 HydrophobicContact CB-CE1 4.04Å; P34-Y315 HydrophobicContact CB-CG 4.21Å; P34-Y315 HydrophobicContact CG-CD1 4.06Å; P34-Y315 HydrophobicContact CG-CE1 3.95Å; P34-I378 HydrophobicContact CB-CG2 4.05Å; P34-I378 HydrophobicContact CG-CB 4.46Å; P34-I378 HydrophobicContact CG-CG2 3.81Å; P34-V385 HydrophobicContact CB-CG2 4.28Å; P34-V385 HydrophobicContact CG-CG2 4.02Å
35	L	53	Low	39.5	Very low	42 Å²	42	106.4 Å²	106.4	22%	0.22	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-83.3	121.7	-166.8	-71.4	137.9	0	0	0	109.6	V32 G33 S37 D316 Q321 L325	V32-L35 HydrophobicContact CG1-CD1 4.07Å; G33-L35 PolarHBondContact O-N 3.15Å; L35-S37 PolarHBondContact O-N 3.29Å; L35-D316 PolarHBondContact O-N 3.21Å; L35-D316 VanDerWaalsContact O-N 3.1Å; L35-Q321 HydrophobicContact CD1-CG 4.15Å; L35-L325 HydrophobicContact CD1-CD1 3.13Å; L35-L325 HydrophobicContact CD1-CD2 3.63Å; L35-L325 HydrophobicContact CD1-CG 3.81Å; L35-L325 HydrophobicContact CD2-CD2 4.22Å
36	P	53.2	Low	39.4	Very low	66 Å²	66	106.6 Å²	106.6	43%	0.429	54%	0.541	S	S	.	.	B	Isolated β-bridge	trans	-60.5	137.1	172.9	-15.4	28.3	0	0	0	109.6	P34 M40	P34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-M40 HydrophobicContact CB-SD 4.32Å
37	S	51.8	Low	39.8	Very low	8 Å²	8	103.6 Å²	103.6	6%	0.056	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-67.4	152.5	174.6	71.1	0	0	0	0	111.9	L35 M39 M40 V314	L35-S37 PolarHBondContact O-N 3.29Å; S37-M39 PolarHBondContact O-N 3.38Å; S37-M40 PolarHBondContact O-N 3.14Å; S37-V314 PolarHBondContact N-O 3.39Å
38	E	43.7	Very low	40.1	Very low	145 Å²	145	106 Å²	106	68%	0.678	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-51.8	-27.4	175.8	-67.1	179.7	170.8	0	0	114	M40 Q41	E38-M40 PolarHBondContact O-N 2.94Å; E38-Q41 WeakPolarHBondContact O-CB 3.35Å; E38-Q41 PolarHBondContact O-N 3.21Å
39	M	36.4	Very low	40.1	Very low	118 Å²	118	103 Å²	103	58%	0.581	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-56.9	-23.9	176.1	-71.7	-173.1	84	0	0	114.1	S37	S37-M39 PolarHBondContact O-N 3.38Å
40	M	43.5	Very low	40.1	Very low	54 Å²	54	98.3 Å²	98.3	27%	0.266	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-79	-28.3	173.8	-78.9	-168.8	166.9	0	0	113.7	P36 S37 E38 F42 Q43 I312 R313	P36-M40 HydrophobicContact CB-SD 4.32Å; S37-M40 PolarHBondContact O-N 3.14Å; E38-M40 PolarHBondContact O-N 2.94Å; M40-F42 VanDerWaalsContact C-N 3.31Å; M40-F42 PolarHBondContact O-N 2.7Å; M40-Q43 PolarHBondContact O-N 3.2Å; M40-I312 WeakPolarHBondContact CE-O 3.18Å; M40-R313 VanDerWaalsContact CE-CA 3.46Å; M40-R313 HydrophobicContact CE-CB 4.14Å; M40-R313 HydrophobicContact CE-CG 4.11Å
41	Q	35.9	Very low	40	Very low	123 Å²	123	99.4 Å²	99.4	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-37.2	179.7	-70.6	176.9	-8.7	0	0	110.5	E38 Q43 E44 D45	E38-Q41 WeakPolarHBondContact O-CB 3.35Å; E38-Q41 PolarHBondContact O-N 3.21Å; Q41-Q43 VanDerWaalsContact C-N 3.27Å; Q41-Q43 PolarHBondContact O-N 3.02Å; Q41-E44 PolarHBondContact O-N 3.21Å; Q41-E44 VanDerWaalsContact O-N 3.15Å; Q41-D45 PolarHBondContact O-N 3.39Å
42	F	30.9	Very low	39.3	Very low	157 Å²	157	101.5 Å²	101.5	69%	0.689	56%	0.564	S	S	*	*	H	α-helix	trans	-68.5	-20.2	178	-76.3	-75.1	0	0	0	115	M40	M40-F42 VanDerWaalsContact C-N 3.31Å; M40-F42 PolarHBondContact O-N 2.7Å
43	Q	35.6	Very low	38.7	Very low	177 Å²	177	105.5 Å²	105.5	83%	0.827	59%	0.588	S	S	*	*	H	α-helix	trans	-86	-12.7	175.9	-145.5	168.8	25.5	0	0	112.5	M40 Q41	M40-Q43 PolarHBondContact O-N 3.2Å; Q41-Q43 VanDerWaalsContact C-N 3.27Å; Q41-Q43 PolarHBondContact O-N 3.02Å
44	E	35.7	Very low	38.2	Very low	150 Å²	150	108.5 Å²	108.5	70%	0.701	61%	0.61	S	S	*	*	H	α-helix	trans	-98.5	-16.3	176.9	-69.9	-169.8	149.8	0	0	113.4	Q41	Q41-E44 PolarHBondContact O-N 3.21Å; Q41-E44 VanDerWaalsContact O-N 3.15Å
45	D	27.9	Very low	37.7	Very low	122 Å²	122	114.7 Å²	114.7	65%	0.652	64%	0.641	S	S	*	*			trans	-119.9	69.8	-173.7	-72.9	-30.9	0	0	0	114.1	Q41	Q41-D45 PolarHBondContact O-N 3.39Å
46	V	28.1	Very low	37.1	Very low	122 Å²	122	117.9 Å²	117.9	74%	0.739	66%	0.664	S	S	*	*			trans	-147.2	85.1	152.1	-169.3	0	0	0	0	109.7	E48	V46-E48 HydrophobicContact CG1-CG 4.22Å
47	S	34.9	Very low	37	Very low	104 Å²	104	124.6 Å²	124.6	73%	0.727	69%	0.687	S	S	*	*			trans	-101.1	102.2	151.4	60.5	0	0	0	0	108	N49	S47-N49 PolarHBondContact O-N 3.25Å
48	E	33.7	Very low	37.2	Very low	174 Å²	174	133.3 Å²	133.3	81%	0.813	72%	0.724	S	S	*	*			trans	-66.3	83.5	163.3	-75.5	-174.9	156.1	0	0	108.5	V46	V46-E48 HydrophobicContact CG1-CG 4.22Å
49	N	33.7	Very low	37.9	Very low	143 Å²	143	136.2 Å²	136.2	77%	0.765	73%	0.734	S	S	*	*	S	Bend	trans	-175.6	125.3	151.1	-89.6	-29.8	0	0	0	108.3	S47 D51	S47-N49 PolarHBondContact O-N 3.25Å; N49-D51 PolarHBondContact O-N 2.98Å
50	G	32.6	Very low	39.3	Very low	89 Å²	89	136.6 Å²	136.6	92%	0.918	73%	0.729	S	S	*	*			trans	-71.5	44.7	-169.5	0	0	0	0	0	116.6
51	D	35.5	Very low	40.9	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	75%	0.749	S	S	*	*			trans	-115.3	117.8	168.3	-79.9	-36.8	0	0	0	109.9	N49 V53	N49-D51 PolarHBondContact O-N 2.98Å; D51-V53 PolarHBondContact O-N 3.01Å
52	S	30.3	Very low	43	Very low	132 Å²	132	140.9 Å²	140.9	92%	0.923	75%	0.753	S	S	*	*			trans	-70.1	77.3	175.5	58.1	0	0	0	0	110.6	A54	S52-A54 PolarHBondContact O-N 2.86Å
53	V	36.2	Very low	45.6	Very low	117 Å²	117	134.3 Å²	134.3	71%	0.709	73%	0.725	S	S	*	*			trans	-82	112.7	167.7	-178	0	0	0	0	107.4	D51 I55	D51-V53 PolarHBondContact O-N 3.01Å; V53-I55 PolarHBondContact O-N 2.73Å
54	A	37.2	Very low	47.9	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	72%	0.722	S	S	*	*			trans	-58.7	103.8	173.9	0	0	0	0	0	109.7	S52	S52-A54 PolarHBondContact O-N 2.86Å
55	I	41.4	Very low	50.2	Low	137 Å²	137	132.4 Å²	132.4	70%	0.703	72%	0.717	S	S	*	*			trans	-61.3	124.5	174.5	-57.8	171.5	0	0	0	107.2	V53 K57	V53-I55 PolarHBondContact O-N 2.73Å; I55-K57 PolarHBondContact O-N 3.02Å; I55-K57 VanDerWaalsContact O-N 3.11Å
56	P	40.5	Very low	53	Low	109 Å²	109	128.5 Å²	128.5	71%	0.708	70%	0.695	S	S	*	*			trans	-61.2	121.3	177.5	23.6	-31.2	0	0	0	108.5	K58	P56-K58 PolarHBondContact O-N 2.78Å
57	K	50.7	Low	55.8	Low	206 Å²	206	126 Å²	126	90%	0.896	69%	0.687	S	S	*	*			trans	-52.2	109.6	175.5	-71.8	-178	178.2	178.6	0	108.1	I55 K59	I55-K57 PolarHBondContact O-N 3.02Å; I55-K57 VanDerWaalsContact O-N 3.11Å; K57-K59 PolarHBondContact O-N 2.91Å
58	K	55.9	Low	58.2	Low	192 Å²	192	124 Å²	124	84%	0.835	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-51	127.9	178.3	-80.5	175.9	179.1	164.5	0	108.6	P56 R60	P56-K58 PolarHBondContact O-N 2.78Å; K58-R60 PolarHBondContact O-N 3.05Å; K58-R60 VanDerWaalsContact O-N 3.15Å
59	K	58.5	Low	60.8	Low	205 Å²	205	118.1 Å²	118.1	89%	0.891	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-51.3	124.4	176.4	-77.4	-172.6	176.7	-175.9	0	108.7	K57 K61	K57-K59 PolarHBondContact O-N 2.91Å; K59-K61 PolarHBondContact O-N 3.11Å
60	R	67	Low	63.4	Low	127 Å²	127	112.7 Å²	112.7	48%	0.479	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-60.7	129.4	-177.6	-167.2	175.8	-177.4	155.3	12.4	108.6	K58 V62 S382 N383 R384	K58-R60 PolarHBondContact O-N 3.05Å; K58-R60 VanDerWaalsContact O-N 3.15Å; R60-V62 PolarHBondContact O-N 3.14Å; R60-S382 PolarHBondContact NE-O 2.83Å; R60-S382 VanDerWaalsContact NE-O 3.11Å; R60-S382 PolarHBondContact NH2-O 3.05Å; R60-N383 PolarHBondContact NH2-O 2.91Å; R60-N383 VanDerWaalsContact NH2-O 3.13Å; R60-R384 VanDerWaalsContact CZ-CZ 3.5Å; R60-R384 VanDerWaalsContact NH1-NH2 3.1Å
61	K	77.2	Confident	66	Low	157 Å²	157	116.1 Å²	116.1	68%	0.683	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-64.1	131.3	174.5	-68.7	-175.9	178.9	-179.2	0	108.7	K59 I381 S382	K59-K61 PolarHBondContact O-N 3.11Å; K61-I381 HydrophobicContact CB-CG2 4.14Å; K61-S382 WeakPolarHBondContact O-CA 3.47Å
62	V	80.4	Confident	68.4	Low	110 Å²	110	111.4 Å²	111.4	67%	0.667	57%	0.569	S	S	*	*			trans	-115.3	136.4	174.7	-178.6	0	0	0	0	107	R60 K64	R60-V62 PolarHBondContact O-N 3.14Å; V62-K64 PolarHBondContact O-N 2.89Å
63	L	84	Confident	71.3	Confident	18 Å²	18	105.1 Å²	105.1	9%	0.094	53%	0.525	C	S	.	.			trans	-72.1	124.6	173	170.6	60.6	0	0	0	107.9	D65 E66 Y69 N365 F366 I381	L63-D65 PolarHBondContact O-N 3.12Å; L63-E66 HydrophobicContact CB-CB 4.18Å; L63-E66 HydrophobicContact CD2-CB 4.29Å; L63-E66 HydrophobicContact CD2-CG 4.34Å; L63-E66 HydrophobicContact CG-CB 4.25Å; L63-E66 PolarHBondContact O-N 3.46Å; L63-Y69 HydrophobicContact CD1-CE2 4.41Å; L63-Y69 HydrophobicContact CD2-CD2 4.05Å; L63-Y69 HydrophobicContact CD2-CE2 4.49Å; L63-Y69 HydrophobicContact CG-CD2 4.44Å; L63-N365 HydrophobicContact CD2-CB 3.85Å; L63-F366 HydrophobicContact CD2-CE2 4.14Å; L63-F366 HydrophobicContact CD2-CZ 3.93Å; L63-I381 HydrophobicContact CB-CD1 4.45Å; L63-I381 HydrophobicContact CB-CG2 4.45Å; L63-I381 HydrophobicContact CD1-CD1 3.66Å; L63-I381 HydrophobicContact CG-CD1 4.47Å
64	K	84.8	Confident	74	Confident	176 Å²	176	99.6 Å²	99.6	77%	0.765	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	134	173.9	-66.7	-175	177.5	-174.5	0	109.2	V62 E66	V62-K64 PolarHBondContact O-N 2.89Å; K64-E66 PolarHBondContact O-N 2.78Å
65	D	83.8	Confident	76.6	Confident	112 Å²	112	99.3 Å²	99.3	60%	0.599	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.6	178.1	-49.8	-51.2	0	0	0	114.6	L63 A67 I68 Y69	L63-D65 PolarHBondContact O-N 3.12Å; D65-A67 PolarHBondContact O-N 3.33Å; D65-I68 HydrophobicContact CB-CD1 3.87Å; D65-I68 HydrophobicContact CB-CG1 4.22Å; D65-I68 WeakPolarHBondContact O-CB 3.34Å; D65-I68 PolarHBondContact O-N 2.84Å; D65-Y69 WeakPolarHBondContact O-CD2 3.34Å
66	E	87.3	Confident	78.9	Confident	40 Å²	40	92.9 Å²	92.9	19%	0.187	44%	0.444	C	S	.	.	H	α-helix	trans	-47.2	-36.7	-179.3	-179.7	168.8	-161.8	0	0	113	L63 K64 I68 Y69 L70 F366 N379 V386	L63-E66 HydrophobicContact CB-CB 4.18Å; L63-E66 HydrophobicContact CD2-CB 4.29Å; L63-E66 HydrophobicContact CD2-CG 4.34Å; L63-E66 HydrophobicContact CG-CB 4.25Å; L63-E66 PolarHBondContact O-N 3.46Å; K64-E66 PolarHBondContact O-N 2.78Å; E66-I68 VanDerWaalsContact C-N 3.3Å; E66-I68 PolarHBondContact O-N 2.96Å; E66-Y69 PolarHBondContact O-N 3.49Å; E66-L70 HydrophobicContact CG-CD1 3.84Å; E66-L70 HydrophobicContact CG-CG 4.04Å; E66-L70 WeakPolarHBondContact O-CG 3.33Å; E66-L70 PolarHBondContact O-N 3.46Å; E66-F366 HydrophobicContact CG-CZ 4.27Å; E66-N379 PolarHBondContact OE1-ND2 3.49Å; E66-V386 WeakPolarHBondContact OE1-CG1 3.2Å
67	A	86.1	Confident	81.4	Confident	69 Å²	69	92.5 Å²	92.5	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-58.5	-36.3	178.5	0	0	0	0	0	113.7	D65 L70 R71	D65-A67 PolarHBondContact O-N 3.33Å; A67-L70 PolarHBondContact O-N 3.3Å; A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.8Å
68	I	86.4	Confident	83.4	Confident	62 Å²	62	86.7 Å²	86.7	32%	0.318	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-46.4	179.1	-61.3	-179.7	0	0	0	109.6	D65 E66 R71 A432	D65-I68 HydrophobicContact CB-CD1 3.87Å; D65-I68 HydrophobicContact CB-CG1 4.22Å; D65-I68 WeakPolarHBondContact O-CB 3.34Å; D65-I68 PolarHBondContact O-N 2.84Å; E66-I68 VanDerWaalsContact C-N 3.3Å; E66-I68 PolarHBondContact O-N 2.96Å; I68-R71 WeakPolarHBondContact O-CB 3.49Å; I68-R71 PolarHBondContact O-N 2.63Å; I68-A432 HydrophobicContact CG2-CB 3.72Å
69	Y	87.4	Confident	85.2	Confident	51 Å²	51	78 Å²	78	20%	0.2	37%	0.367	C	S	.	.	H	α-helix	trans	-66.6	-38.9	178.9	-57.9	-88	0	0	0	112	L63 D65 E66 R71 N72 S363 F366 L428	L63-Y69 HydrophobicContact CD1-CE2 4.41Å; L63-Y69 HydrophobicContact CD2-CD2 4.05Å; L63-Y69 HydrophobicContact CD2-CE2 4.49Å; L63-Y69 HydrophobicContact CG-CD2 4.44Å; D65-Y69 WeakPolarHBondContact O-CD2 3.34Å; E66-Y69 PolarHBondContact O-N 3.49Å; Y69-R71 PolarHBondContact O-N 3Å; Y69-N72 WeakPolarHBondContact O-CB 3.47Å; Y69-N72 PolarHBondContact O-N 2.92Å; Y69-S363 VanDerWaalsContact CD1-CB 3.4Å; Y69-S363 WeakPolarHBondContact CD1-OG 3.42Å; Y69-F366 VanDerWaalsContact CB-CE2 3.48Å; Y69-F366 HydrophobicContact CG-CE2 4.31Å; Y69-L428 HydrophobicContact CD1-CD2 3.46Å; Y69-L428 VanDerWaalsContact CD1-CD2 3.46Å; Y69-L428 HydrophobicContact CE1-CD2 3.38Å; Y69-L428 HydrophobicContact CE1-CG 4.4Å
70	L	88.8	Confident	86.6	Confident	28 Å²	28	69 Å²	69	15%	0.147	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-21.8	177.3	-73.4	177.7	0	0	0	113.5	E66 A67 N72 I73 F366 V386	E66-L70 HydrophobicContact CG-CD1 3.84Å; E66-L70 HydrophobicContact CG-CG 4.04Å; E66-L70 WeakPolarHBondContact O-CG 3.33Å; E66-L70 PolarHBondContact O-N 3.46Å; A67-L70 PolarHBondContact O-N 3.3Å; L70-N72 PolarHBondContact O-N 2.69Å; L70-I73 HydrophobicContact CD2-CD1 4.16Å; L70-I73 PolarHBondContact O-N 3.23Å; L70-I73 VanDerWaalsContact O-N 3.17Å; L70-F366 HydrophobicContact CD2-CE1 3.72Å; L70-F366 HydrophobicContact CD2-CZ 3.9Å; L70-F366 HydrophobicContact CG-CE1 4.45Å; L70-F366 HydrophobicContact CG-CZ 4.22Å; L70-V386 HydrophobicContact CD2-CB 3.9Å; L70-V386 HydrophobicContact CD2-CG1 4.33Å; L70-V386 HydrophobicContact CD2-CG2 3.91Å
71	R	86.2	Confident	87.8	Confident	161 Å²	161	63.9 Å²	63.9	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.1	172.6	-70.1	174.8	-179.6	179.5	-0.2	112.7	A67 I68 Y69 I73 P456	A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.8Å; I68-R71 WeakPolarHBondContact O-CB 3.49Å; I68-R71 PolarHBondContact O-N 2.63Å; Y69-R71 PolarHBondContact O-N 3Å; R71-I73 VanDerWaalsContact C-N 3.34Å; R71-P456 WeakPolarHBondContact O-CG 3.23Å
72	N	86.9	Confident	88.6	Confident	37 Å²	37	56.4 Å²	56.4	20%	0.198	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.7	177.5	-61.6	-39.5	0	0	0	113.1	Y69 L70 P405 L428 P456	Y69-N72 WeakPolarHBondContact O-CB 3.47Å; Y69-N72 PolarHBondContact O-N 2.92Å; L70-N72 PolarHBondContact O-N 2.69Å; N72-P405 WeakPolarHBondContact OD1-CG 3.46Å; N72-L428 WeakPolarHBondContact ND2-CD1 3.35Å; N72-P456 WeakPolarHBondContact O-CB 2.99Å
73	I	90.6	Very high	89.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.25	C	S	.	.	S	Bend	trans	-118.7	130.4	177.6	-56.4	-173.2	0	0	0	108.8	L70 R71 F366 I377 R387 F402	L70-I73 HydrophobicContact CD2-CD1 4.16Å; L70-I73 PolarHBondContact O-N 3.23Å; L70-I73 VanDerWaalsContact O-N 3.17Å; R71-I73 VanDerWaalsContact C-N 3.34Å; I73-F366 HydrophobicContact CD1-CB 3.87Å; I73-F366 HydrophobicContact CD1-CD1 3.79Å; I73-F366 HydrophobicContact CD1-CD2 3.65Å; I73-F366 HydrophobicContact CD1-CE1 4.21Å; I73-F366 HydrophobicContact CD1-CE2 4.13Å; I73-F366 HydrophobicContact CD1-CG 3.46Å; I73-F366 VanDerWaalsContact CD1-CG 3.46Å; I73-F366 HydrophobicContact CD1-CZ 4.37Å; I73-I377 HydrophobicContact CD1-CG2 4.09Å; I73-I377 HydrophobicContact CG2-CD1 3.36Å; I73-I377 HydrophobicContact CG2-CG2 4.27Å; I73-R387 HydrophobicContact CG2-CG 4.03Å; I73-F402 HydrophobicContact CG2-CE1 4.5Å
74	P	92.3	Very high	89.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.			trans	-54.7	148.6	175.6	-25.9	34.6	0	0	0	113.4	L389 I458 F471 T472 N473	P74-L389 HydrophobicContact CB-CD1 4.06Å; P74-I458 HydrophobicContact CG-CB 4.07Å; P74-I458 HydrophobicContact CG-CD1 4.09Å; P74-I458 HydrophobicContact CG-CG1 3.86Å; P74-F471 HydrophobicContact CB-CB 4.39Å; P74-F471 WeakPolarHBondContact CG-O 3.46Å; P74-T472 WeakPolarHBondContact CB-O 3.46Å; P74-N473 WeakPolarHBondContact CA-OD1 3.41Å
75	I	91.9	Very high	89.9	Confident	88 Å²	88	44.1 Å²	44.1	45%	0.451	22%	0.215	S	C	.	.			trans	-110.9	-33.8	-176.2	-56.3	170.4	0	0	0	112	T472 N473	I75-T472 PolarHBondContact N-O 3.49Å; I75-N473 PolarHBondContact N-OD1 3.09Å; I75-N473 VanDerWaalsContact N-OD1 3.16Å
76	A	90.8	Very high	90	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	21%	0.207	C	C	.	.			trans	-64.7	134.7	-171.3	0	0	0	0	0	112.3	L389 T472 R474 E475	A76-L389 VanDerWaalsContact O-CD2 3.31Å; A76-L389 WeakPolarHBondContact O-CD2 3.48Å; A76-T472 WeakPolarHBondContact CB-O 3.46Å; A76-T472 PolarHBondContact N-O 3.17Å; A76-R474 WeakPolarHBondContact CB-O 3.25Å; A76-E475 VanDerWaalsContact CA-OE1 3.3Å; A76-E475 WeakPolarHBondContact CA-OE1 3.25Å; A76-E475 HydrophobicContact CB-CG 4.24Å
77	Q	91.9	Very high	90.2	Very high	101 Å²	101	45.1 Å²	45.1	47%	0.472	21%	0.213	S	C	.	.	S	Bend	trans	-79.6	-26.2	179.4	-65.7	-171.9	11	0	0	112.7	G390 P392 F471 E475	Q77-G390 WeakPolarHBondContact O-CA 3.33Å; Q77-G390 PolarHBondContact O-N 3.28Å; Q77-P392 HydrophobicContact CB-CG 4.2Å; Q77-F471 WeakPolarHBondContact O-CE1 3.16Å; Q77-E475 PolarHBondContact N-OE1 3.29Å
78	Y	93.6	Very high	90.6	Very high	84 Å²	84	43 Å²	43	33%	0.329	19%	0.193	S	C	.	.	S	Bend	trans	-98.4	155.5	172.7	-63.7	-93.3	0	0	0	110.4	P392 E393 F471 E475	Y78-P392 HydrophobicContact CD1-CB 4.31Å; Y78-P392 HydrophobicContact CE1-CB 3.5Å; Y78-P392 HydrophobicContact CE1-CG 4.3Å; Y78-P392 HydrophobicContact CE2-CB 4.07Å; Y78-P392 HydrophobicContact CE2-CG 4.02Å; Y78-P392 VanDerWaalsContact OH-CB 3.27Å; Y78-P392 WeakPolarHBondContact OH-CB 3.09Å; Y78-E393 HydrophobicContact CD1-CG 4.24Å; Y78-E393 WeakPolarHBondContact CD1-OE1 3.45Å; Y78-F471 WeakPolarHBondContact O-CD1 3.34Å; Y78-E475 WeakPolarHBondContact CB-OE2 3.19Å; Y78-E475 WeakPolarHBondContact CD2-OE2 3.4Å; Y78-E475 PolarHBondContact N-OE2 3.14Å; Y78-E475 VanDerWaalsContact N-OE2 3.07Å
79	Y	92.7	Very high	90.9	Very high	8 Å²	8	40.4 Å²	40.4	3%	0.031	18%	0.18	C	C	.	.			trans	-75.3	137	173	67.1	-97.9	0	0	0	109.4	E393 L395 Y469 L470 F471 P476 R494 D495	Y79-E393 VanDerWaalsContact CD1-CD 3.48Å; Y79-E393 HydrophobicContact CD1-CG 3.98Å; Y79-E393 WeakPolarHBondContact CD1-OE1 3.38Å; Y79-E393 VanDerWaalsContact CE1-CD 3.45Å; Y79-E393 HydrophobicContact CE1-CG 4.35Å; Y79-E393 WeakPolarHBondContact CE1-OE1 3.49Å; Y79-L395 HydrophobicContact CD1-CD1 4.4Å; Y79-L395 HydrophobicContact CE1-CD1 3.94Å; Y79-Y469 AromaticContact CD1-CD1 3.77Å; Y79-Y469 HydrophobicContact CD1-CD1 3.77Å; Y79-Y469 HydrophobicContact CD1-CE1 4.43Å; Y79-Y469 HydrophobicContact CD2-CD1 4.02Å; Y79-Y469 AromaticContact CE1-CD1 3.71Å; Y79-Y469 HydrophobicContact CE1-CD1 3.71Å; Y79-Y469 AromaticContact CE1-CE1 3.93Å; Y79-Y469 HydrophobicContact CE1-CE1 3.93Å; Y79-Y469 AromaticContact CE2-CD1 3.96Å; Y79-Y469 HydrophobicContact CE2-CD1 3.96Å; Y79-Y469 HydrophobicContact CE2-CE1 4.41Å; Y79-Y469 AromaticContact CG-CD1 3.91Å; Y79-Y469 HydrophobicContact CG-CD1 3.91Å; Y79-Y469 AromaticContact CZ-CD1 3.78Å; Y79-Y469 AromaticContact CZ-CE1 3.89Å; Y79-L470 CarbonylContact C-O 3.5Å; Y79-L470 WeakPolarHBondContact CA-O 3.36Å; Y79-L470 WeakPolarHBondContact CB-O 3.35Å; Y79-F471 VanDerWaalsContact N-CE1 3.31Å; Y79-P476 WeakPolarHBondContact O-CG 3.41Å; Y79-R494 VanDerWaalsContact CE1-CZ 3.45Å; Y79-R494 VanDerWaalsContact CE1-NH2 3.27Å; Y79-R494 HydrophobicContact CE2-CG 3.83Å; Y79-R494 VanDerWaalsContact CZ-NE 3.29Å; Y79-R494 PolarHBondContact OH-NE 3.03Å; Y79-R494 PolarHBondContact OH-NH2 3.3Å; Y79-D495 VanDerWaalsContact CE2-OD1 3.27Å; Y79-D495 WeakPolarHBondContact CE2-OD1 3.21Å; Y79-D495 PolarHBondContact OH-OD1 3.47Å; Y79-D495 PolarHBondContact OH-OD2 3.34Å
80	E	89.3	Confident	91.2	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.079	17%	0.173	C	C	.	.	S	Bend	trans	-73.2	-46.2	179.9	-179.8	177.3	-166	0	0	110.7	V118 L470 T472 R494	E80-V118 HydrophobicContact CG-CG1 4.33Å; E80-V118 VanDerWaalsContact OE1-CG1 3.23Å; E80-V118 WeakPolarHBondContact OE1-CG1 3.46Å; E80-L470 PolarHBondContact N-O 2.75Å; E80-T472 HydrophobicContact CB-CG2 4.29Å; E80-T472 VanDerWaalsContact OE2-CB 3.25Å; E80-T472 WeakPolarHBondContact OE2-CB 3.22Å; E80-T472 WeakPolarHBondContact OE2-CG2 3.34Å; E80-T472 PolarHBondContact OE2-OG1 2.94Å; E80-R494 WeakPolarHBondContact O-CB 3.47Å
81	I	90.8	Very high	91.5	Very high	20 Å²	20	38.9 Å²	38.9	10%	0.103	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148	-174.2	-162.6	166.2	0	0	0	111.4	Y83 L470 R494 V496	I81-Y83 HydrophobicContact CD1-CE2 4.21Å; I81-Y83 HydrophobicContact CG1-CE2 4.16Å; I81-Y83 HydrophobicContact CG2-CE2 3.98Å; I81-L470 HydrophobicContact CG2-CB 3.83Å; I81-L470 HydrophobicContact CG2-CD1 4.39Å; I81-L470 HydrophobicContact CG2-CD2 3.91Å; I81-L470 HydrophobicContact CG2-CG 4.25Å; I81-L470 PolarHBondContact O-N 3.46Å; I81-R494 CarbonylContact C-O 3.54Å; I81-R494 VanDerWaalsContact CA-O 3.25Å; I81-R494 WeakPolarHBondContact CA-O 3.49Å; I81-R494 WeakPolarHBondContact CG1-O 3.33Å; I81-V496 HydrophobicContact CD1-CG2 3.53Å; I81-V496 HydrophobicContact CG1-CG2 3.56Å
82	S	93.7	Very high	92	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.9	173	85.7	0	0	0	0	112.1	R467 I468 R494 D495 V496	S82-R467 PolarHBondContact OG-NH1 2.65Å; S82-I468 CarbonylContact C-O 3.42Å; S82-I468 WeakPolarHBondContact CA-O 3.27Å; S82-I468 WeakPolarHBondContact CB-O 3.11Å; S82-R494 PolarHBondContact N-O 2.95Å; S82-D495 WeakPolarHBondContact CB-OD1 3.47Å; S82-D495 WeakPolarHBondContact OG-CA 3.45Å; S82-D495 PolarHBondContact OG-OD1 3.19Å; S82-V496 WeakPolarHBondContact O-CA 3.34Å; S82-V496 VanDerWaalsContact O-CB 3.3Å; S82-V496 WeakPolarHBondContact O-CB 3.35Å; S82-V496 PolarHBondContact O-N 3.14Å
83	Y	93.9	Very high	92.5	Very high	21 Å²	21	30.8 Å²	30.8	8%	0.082	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142	177	-69.2	-89.2	0	0	0	110.4	I81 W112 G119 L120 R467 I468 L470 V496 N498	I81-Y83 HydrophobicContact CD1-CE2 4.21Å; I81-Y83 HydrophobicContact CG1-CE2 4.16Å; I81-Y83 HydrophobicContact CG2-CE2 3.98Å; Y83-W112 HydrophobicContact CD1-CZ3 4.31Å; Y83-W112 HydrophobicContact CG-CZ3 4.41Å; Y83-G119 WeakPolarHBondContact OH-CA 3.35Å; Y83-L120 HydrophobicContact CD2-CB 4.17Å; Y83-L120 HydrophobicContact CD2-CD1 4.12Å; Y83-L120 HydrophobicContact CD2-CG 4.25Å; Y83-L120 HydrophobicContact CE2-CB 3.74Å; Y83-L120 HydrophobicContact CE2-CD1 4.37Å; Y83-L120 HydrophobicContact CE2-CG 3.98Å; Y83-L120 PolarHBondContact OH-N 2.84Å; Y83-L120 PolarHBondContact OH-O 3.13Å; Y83-R467 CarbonylContact O-C 3.57Å; Y83-R467 WeakPolarHBondContact O-CA 3.46Å; Y83-I468 PolarHBondContact N-O 2.82Å; Y83-I468 PolarHBondContact O-N 3.2Å; Y83-L470 HydrophobicContact CD2-CD1 4.03Å; Y83-L470 HydrophobicContact CE2-CD1 4.3Å; Y83-V496 HydrophobicContact CD1-CB 4.02Å; Y83-V496 HydrophobicContact CD1-CG1 4.1Å; Y83-V496 HydrophobicContact CD1-CG2 4.48Å; Y83-V496 HydrophobicContact CE1-CB 4.07Å; Y83-V496 HydrophobicContact CE1-CG1 3.99Å; Y83-V496 HydrophobicContact CE1-CG2 4.13Å; Y83-N498 HydrophobicContact CD1-CB 4.42Å
84	M	91.3	Very high	92.7	Very high	24 Å²	24	33 Å²	33	12%	0.118	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.4	172.5	-71.1	-75	-69.3	0	0	111.2	N466 R467 N498 E499	M84-N466 WeakPolarHBondContact CE-ND2 3.41Å; M84-R467 HydrophobicContact SD-CG 3.68Å; M84-R467 PolarHBondContact SD-NE 3Å; M84-R467 PolarHBondContact SD-NH2 3.42Å; M84-N498 WeakPolarHBondContact CA-OD1 3.39Å; M84-N498 WeakPolarHBondContact CB-OD1 3.47Å; M84-N498 PolarHBondContact N-OD1 2.76Å; M84-N498 PolarHBondContact O-ND2 3.35Å; M84-N498 VanDerWaalsContact O-ND2 3.14Å; M84-N498 PolarHBondContact O-OD1 3.5Å; M84-E499 HydrophobicContact CB-CB 4.31Å; M84-E499 HydrophobicContact CB-CG 4.25Å; M84-E499 VanDerWaalsContact O-OE1 3.12Å
85	H	91.5	Very high	92.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.155	C	C	.	.			trans	-115.8	159.1	162.7	-152.6	-81.1	0	0	0	108.6	N87 I89 T102 S104 N466 E499	H85-N87 VanDerWaalsContact C-N 3.28Å; H85-N87 PolarHBondContact O-N 3.5Å; H85-I89 HydrophobicContact CB-CD1 3.63Å; H85-I89 HydrophobicContact CB-CG1 3.67Å; H85-T102 PolarHBondContact CD2-OG1 3.39Å; H85-T102 PolarHBondContact NE2-OG1 2.96Å; H85-S104 VanDerWaalsContact CE1-CB 3.43Å; H85-S104 WeakPolarHBondContact CE1-CB 3.48Å; H85-S104 PolarHBondContact CE1-OG 2.87Å; H85-S104 VanDerWaalsContact CE1-OG 3.26Å; H85-S104 WeakPolarHBondContact ND1-CB 3.36Å; H85-N466 PolarHBondContact N-O 3.25Å; H85-N466 WeakPolarHBondContact O-CB 3.12Å; H85-E499 WeakPolarHBondContact CA-OE1 3.34Å
86	R	87.5	Confident	92.6	Very high	112 Å²	112	34.5 Å²	34.5	42%	0.423	16%	0.16	S	C	.	.	S	Bend	trans	-61.1	-35.4	-177.2	-176.9	178	170	83.4	3.4	113.8	D106 H108 E499	R86-D106 WeakPolarHBondContact CD-OD2 3.46Å; R86-D106 WeakPolarHBondContact CG-OD2 3.21Å; R86-D106 IonicContact NE-OD2 2.65Å; R86-D106 PolarHBondContact NE-OD2 3.2Å; R86-H108 PolarHBondContact NE-NE2 3.32Å; R86-E499 PolarHBondContact N-OE1 3.46Å
87	N	91.1	Very high	92.5	Very high	61 Å²	61	35.6 Å²	35.6	33%	0.326	17%	0.167	S	C	.	.	S	Bend	trans	-150.4	178.5	-178.9	-154.9	-28.5	0	0	0	108.9	H85 I89 D106 N466	H85-N87 VanDerWaalsContact C-N 3.28Å; H85-N87 PolarHBondContact O-N 3.5Å; N87-I89 PolarHBondContact O-N 3.46Å; N87-D106 HydrophobicContact CB-CB 4.21Å; N87-D106 WeakPolarHBondContact CB-OD1 3.43Å; N87-N466 VanDerWaalsContact C-CB 3.49Å; N87-N466 WeakPolarHBondContact O-CB 3.48Å
88	V	93.3	Very high	92.4	Very high	25 Å²	25	33.6 Å²	33.6	15%	0.152	16%	0.157	C	C	.	.			trans	-53.2	129.1	177.3	-176.9	0	0	0	0	109.9	S104 N105 F352	V88-S104 VanDerWaalsContact O-CA 3.29Å; V88-S104 WeakPolarHBondContact O-CA 3.43Å; V88-S104 WeakPolarHBondContact O-CB 3.32Å; V88-N105 PolarHBondContact O-N 2.74Å; V88-F352 HydrophobicContact CB-CZ 4.3Å; V88-F352 HydrophobicContact CG1-CE1 3.96Å; V88-F352 HydrophobicContact CG1-CE2 4.39Å; V88-F352 HydrophobicContact CG1-CZ 3.73Å
89	I	94.5	Very high	92.4	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.6	-174.8	-49.7	179.7	0	0	0	108.4	H85 N87 V92 C103 T461 R467 I468	H85-I89 HydrophobicContact CB-CD1 3.63Å; H85-I89 HydrophobicContact CB-CG1 3.67Å; N87-I89 PolarHBondContact O-N 3.46Å; I89-V92 HydrophobicContact CG2-CG2 4.03Å; I89-C103 CarbonylContact C-O 3.5Å; I89-C103 VanDerWaalsContact CA-O 3.3Å; I89-C103 WeakPolarHBondContact CA-O 3.47Å; I89-C103 WeakPolarHBondContact CG2-O 3.48Å; I89-T461 HydrophobicContact CB-CG2 3.75Å; I89-T461 HydrophobicContact CD1-CG2 4.1Å; I89-T461 HydrophobicContact CG2-CG2 3.58Å; I89-R467 WeakPolarHBondContact CD1-O 3.37Å; I89-I468 HydrophobicContact CD1-CB 4.34Å; I89-I468 HydrophobicContact CD1-CD1 4.22Å; I89-I468 HydrophobicContact CD1-CG1 3.24Å
90	T	93.5	Very high	92.6	Very high	10 Å²	10	31.3 Å²	31.3	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-40.1	-177.6	52.8	0	0	0	0	112	C103 N105 F352 Q399	T90-C103 PolarHBondContact N-O 2.73Å; T90-C103 PolarHBondContact OG1-O 3.42Å; T90-C103 VanDerWaalsContact OG1-O 3.14Å; T90-N105 HydrophobicContact CG2-CB 3.92Å; T90-F352 HydrophobicContact CG2-CE1 4.23Å; T90-Q399 WeakPolarHBondContact O-CG 3.21Å
91	H	95.3	Very high	92.9	Very high	37 Å²	37	30.5 Å²	30.5	17%	0.171	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.2	-172.1	-61.7	88.8	0	0	0	110.9	T102 C103 I133 L134 L136	H91-T102 WeakPolarHBondContact O-CA 3.4Å; H91-C103 HydrophobicContact CB-CB 4.03Å; H91-C103 PolarHBondContact N-O 2.99Å; H91-C103 PolarHBondContact O-N 2.82Å; H91-I133 PolarHBondContact CE1-O 2.86Å; H91-I133 VanDerWaalsContact CE1-O 3.3Å; H91-I133 PolarHBondContact ND1-O 2.83Å; H91-L134 VanDerWaalsContact CE1-C 3.4Å; H91-L134 PolarHBondContact CE1-O 3.48Å; H91-L134 PolarHBondContact NE2-O 3.24Å; H91-L136 HydrophobicContact CB-CB 3.78Å; H91-L136 HydrophobicContact CB-CD2 4.01Å
92	V	96.3	Very high	93.2	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.9	172.9	178.4	0	0	0	0	108.1	I89 L100 M101 T102 Q399 A401 V459 T461	I89-V92 HydrophobicContact CG2-CG2 4.03Å; V92-L100 HydrophobicContact CG1-CD1 3.62Å; V92-M101 WeakPolarHBondContact CA-O 3.48Å; V92-T102 HydrophobicContact CG1-CG2 4.43Å; V92-T102 HydrophobicContact CG2-CG2 4.06Å; V92-Q399 HydrophobicContact CB-CB 4.32Å; V92-Q399 HydrophobicContact CG2-CB 4.24Å; V92-A401 HydrophobicContact CG1-CB 3.72Å; V92-V459 HydrophobicContact CG1-CG1 4.26Å; V92-T461 HydrophobicContact CG2-CG2 3.28Å
93	A	95.7	Very high	93.4	Very high	18 Å²	18	29.5 Å²	29.5	15%	0.149	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.7	172.4	0	0	0	0	0	110.3	L100 M101 L136 V138	A93-L100 WeakPolarHBondContact O-CD1 3.29Å; A93-M101 PolarHBondContact N-O 2.98Å; A93-M101 PolarHBondContact O-N 3.25Å; A93-L136 HydrophobicContact CB-CD2 3.58Å; A93-L136 HydrophobicContact CB-CG 4.15Å; A93-V138 HydrophobicContact CB-CG2 3.53Å
94	Y	95	Very high	93.4	Very high	47 Å²	47	28.5 Å²	28.5	18%	0.184	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.5	174.3	-175.9	-101.8	0	0	0	109.1	H98 Y99 L100 F402 M403 P404	Y94-H98 VanDerWaalsContact OH-CA 3.29Å; Y94-H98 WeakPolarHBondContact OH-CA 3.45Å; Y94-H98 WeakPolarHBondContact OH-CB 3.27Å; Y94-H98 PolarHBondContact OH-ND1 2.83Å; Y94-Y99 WeakPolarHBondContact CA-O 3.48Å; Y94-Y99 WeakPolarHBondContact CD2-O 3.5Å; Y94-L100 HydrophobicContact CD2-CB 4.09Å; Y94-L100 HydrophobicContact CD2-CD1 4.44Å; Y94-F402 WeakPolarHBondContact CD1-O 3.5Å; Y94-M403 HydrophobicContact CD2-CB 4.31Å; Y94-M403 HydrophobicContact CD2-CG 4.19Å; Y94-M403 HydrophobicContact CD2-SD 4.34Å; Y94-M403 HydrophobicContact CE1-CG 4.36Å; Y94-M403 HydrophobicContact CE2-CB 4.14Å; Y94-M403 HydrophobicContact CE2-CG 3.56Å; Y94-M403 HydrophobicContact CE2-SD 3.7Å; Y94-P404 HydrophobicContact CE1-CG 4.24Å
95	S	93.7	Very high	93.4	Very high	2 Å²	2	30 Å²	30	1%	0.014	14%	0.144	C	C	.	.			trans	-86.6	155.3	-179.6	70.6	0	0	0	0	111.8	T97 H98 Y99 G142	S95-T97 WeakPolarHBondContact CB-OG1 3.4Å; S95-T97 PolarHBondContact O-N 3.48Å; S95-T97 PolarHBondContact OG-N 3.44Å; S95-T97 PolarHBondContact OG-OG1 3.22Å; S95-H98 PolarHBondContact O-N 3.15Å; S95-Y99 PolarHBondContact N-O 3.45Å; S95-Y99 PolarHBondContact OG-N 2.73Å; S95-Y99 PolarHBondContact OG-O 3.08Å; S95-G142 WeakPolarHBondContact CB-O 3.5Å
96	Q	89.2	Confident	93.4	Very high	119 Å²	119	31.6 Å²	31.6	56%	0.556	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.7	170.3	-65.8	-178.6	14.4	0	0	112.6	H98 C140	Q96-H98 PolarHBondContact O-N 3.22Å; Q96-C140 PolarHBondContact NE2-O 3.41Å; Q96-C140 PolarHBondContact OE1-O 2.94Å
97	T	88.7	Confident	93.8	Very high	25 Å²	25	26.3 Å²	26.3	15%	0.153	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	9.9	173.4	54.2	0	0	0	0	113.7	S95 Y99 G142 E143 I160	S95-T97 WeakPolarHBondContact CB-OG1 3.4Å; S95-T97 PolarHBondContact O-N 3.48Å; S95-T97 PolarHBondContact OG-N 3.44Å; S95-T97 PolarHBondContact OG-OG1 3.22Å; T97-Y99 WeakPolarHBondContact O-CD2 3.28Å; T97-Y99 WeakPolarHBondContact O-CE2 3.21Å; T97-G142 WeakPolarHBondContact CG2-O 3.41Å; T97-G142 PolarHBondContact OG1-O 2.8Å; T97-E143 HydrophobicContact CG2-CG 4.43Å; T97-I160 HydrophobicContact CG2-CD1 4.06Å; T97-I160 HydrophobicContact CG2-CG1 4Å
98	H	90.6	Very high	94	Very high	59 Å²	59	24.1 Å²	24.1	27%	0.273	12%	0.12	S	C	.	.	S	Bend	trans	70.6	30.4	175.1	-50.8	-61.6	0	0	0	116.3	Y94 S95 Q96	Y94-H98 VanDerWaalsContact OH-CA 3.29Å; Y94-H98 WeakPolarHBondContact OH-CA 3.45Å; Y94-H98 WeakPolarHBondContact OH-CB 3.27Å; Y94-H98 PolarHBondContact OH-ND1 2.83Å; S95-H98 PolarHBondContact O-N 3.15Å; Q96-H98 PolarHBondContact O-N 3.22Å
99	Y	93.8	Very high	94.1	Very high	43 Å²	43	22.9 Å²	22.9	17%	0.169	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.4	175.3	-63.8	-66.8	0	0	0	111.4	Y94 S95 T97 W112 R113 I123 V159 F162	Y94-Y99 WeakPolarHBondContact CA-O 3.48Å; Y94-Y99 WeakPolarHBondContact CD2-O 3.5Å; S95-Y99 PolarHBondContact N-O 3.45Å; S95-Y99 PolarHBondContact OG-N 2.73Å; S95-Y99 PolarHBondContact OG-O 3.08Å; T97-Y99 WeakPolarHBondContact O-CD2 3.28Å; T97-Y99 WeakPolarHBondContact O-CE2 3.21Å; Y99-W112 WeakPolarHBondContact CA-O 3.5Å; Y99-R113 HydrophobicContact CD1-CB 4.16Å; Y99-R113 HydrophobicContact CE1-CB 4.19Å; Y99-I123 HydrophobicContact CD1-CD1 3.35Å; Y99-I123 HydrophobicContact CE1-CD1 3.36Å; Y99-V159 HydrophobicContact CD2-CG1 3.85Å; Y99-V159 HydrophobicContact CG-CG1 4.21Å; Y99-F162 AromaticContact CD1-CE1 3.86Å; Y99-F162 HydrophobicContact CD1-CE1 3.86Å; Y99-F162 HydrophobicContact CD1-CZ 4.09Å; Y99-F162 HydrophobicContact CD2-CE1 4.31Å; Y99-F162 AromaticContact CE1-CE1 3.79Å; Y99-F162 HydrophobicContact CE1-CE1 3.79Å; Y99-F162 AromaticContact CE1-CZ 3.51Å; Y99-F162 HydrophobicContact CE1-CZ 3.51Å; Y99-F162 HydrophobicContact CE2-CE1 4.21Å; Y99-F162 HydrophobicContact CE2-CZ 4.06Å; Y99-F162 HydrophobicContact CG-CE1 4.12Å; Y99-F162 AromaticContact CZ-CE1 3.94Å; Y99-F162 AromaticContact CZ-CZ 3.47Å; Y99-F162 VanDerWaalsContact CZ-CZ 3.47Å
100	L	95.6	Very high	94.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134	171.4	178	74.5	0	0	0	108.9	V92 A93 Y94 T102 F111 W112 L120 A401 V459	V92-L100 HydrophobicContact CG1-CD1 3.62Å; A93-L100 WeakPolarHBondContact O-CD1 3.29Å; Y94-L100 HydrophobicContact CD2-CB 4.09Å; Y94-L100 HydrophobicContact CD2-CD1 4.44Å; L100-T102 HydrophobicContact CD2-CG2 4.18Å; L100-T102 HydrophobicContact CG-CG2 4.26Å; L100-F111 CarbonylContact O-C 3.5Å; L100-F111 WeakPolarHBondContact O-CA 3.39Å; L100-W112 HydrophobicContact CB-CB 4.15Å; L100-W112 HydrophobicContact CD2-CB 4.29Å; L100-W112 HydrophobicContact CD2-CG 4.27Å; L100-W112 PolarHBondContact N-O 2.7Å; L100-W112 PolarHBondContact O-N 3.4Å; L100-L120 HydrophobicContact CD2-CD1 3.67Å; L100-A401 HydrophobicContact CD1-CB 4.47Å; L100-V459 HydrophobicContact CD1-CB 4.39Å; L100-V459 HydrophobicContact CD1-CG1 4.24Å; L100-V459 HydrophobicContact CD1-CG2 4.35Å; L100-V459 HydrophobicContact CD2-CG1 3.86Å; L100-V459 HydrophobicContact CD2-CG2 4.21Å
101	M	96.9	Very high	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.4	174.6	-72.7	165.2	-75.8	0	0	109.8	V92 A93 L109 K110 F111 L136 V138 A145 V159	V92-M101 WeakPolarHBondContact CA-O 3.48Å; A93-M101 PolarHBondContact N-O 2.98Å; A93-M101 PolarHBondContact O-N 3.25Å; M101-L109 HydrophobicContact CB-CD1 4.09Å; M101-L109 HydrophobicContact CG-CD1 4.4Å; M101-K110 WeakPolarHBondContact CA-O 3.46Å; M101-F111 HydrophobicContact CG-CD1 3.6Å; M101-F111 HydrophobicContact CG-CE1 3.55Å; M101-F111 HydrophobicContact CG-CG 4.46Å; M101-F111 HydrophobicContact CG-CZ 4.37Å; M101-F111 HydrophobicContact SD-CD1 4.24Å; M101-F111 HydrophobicContact SD-CE1 3.64Å; M101-F111 HydrophobicContact SD-CZ 4.4Å; M101-L136 HydrophobicContact CB-CD2 4.32Å; M101-V138 HydrophobicContact CE-CB 4.42Å; M101-V138 HydrophobicContact CE-CG1 4.14Å; M101-V138 HydrophobicContact CE-CG2 3.37Å; M101-V138 HydrophobicContact SD-CG2 4.49Å; M101-A145 HydrophobicContact CE-CB 4.25Å; M101-A145 HydrophobicContact SD-CB 3.42Å; M101-A145 WeakPolarHBondContact SD-CB 3.24Å; M101-V159 HydrophobicContact CE-CG1 4.34Å; M101-V159 HydrophobicContact CE-CG2 4.26Å; M101-V159 HydrophobicContact SD-CG1 4.43Å; M101-V159 HydrophobicContact SD-CG2 3.99Å
102	T	97.1	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.8	175.1	62.9	0	0	0	0	110.7	H85 H91 V92 L100 L109 K110 W112 I468	H85-T102 PolarHBondContact CD2-OG1 3.39Å; H85-T102 PolarHBondContact NE2-OG1 2.96Å; H91-T102 WeakPolarHBondContact O-CA 3.4Å; V92-T102 HydrophobicContact CG1-CG2 4.43Å; V92-T102 HydrophobicContact CG2-CG2 4.06Å; L100-T102 HydrophobicContact CD2-CG2 4.18Å; L100-T102 HydrophobicContact CG-CG2 4.26Å; T102-L109 CarbonylContact O-C 3.57Å; T102-L109 WeakPolarHBondContact O-CA 3.33Å; T102-K110 PolarHBondContact N-O 3.43Å; T102-K110 PolarHBondContact O-N 2.77Å; T102-W112 PolarHBondContact OG1-NE1 3.13Å; T102-I468 HydrophobicContact CG2-CD1 3.54Å; T102-I468 HydrophobicContact CG2-CG1 4.13Å
103	C	96.3	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.4	179.2	-64	0	0	0	0	110.5	I89 T90 H91 H108 L109 I133	I89-C103 CarbonylContact C-O 3.5Å; I89-C103 VanDerWaalsContact CA-O 3.3Å; I89-C103 WeakPolarHBondContact CA-O 3.47Å; I89-C103 WeakPolarHBondContact CG2-O 3.48Å; T90-C103 PolarHBondContact N-O 2.73Å; T90-C103 PolarHBondContact OG1-O 3.42Å; T90-C103 VanDerWaalsContact OG1-O 3.14Å; H91-C103 HydrophobicContact CB-CB 4.03Å; H91-C103 PolarHBondContact N-O 2.99Å; H91-C103 PolarHBondContact O-N 2.82Å; C103-H108 CarbonylContact C-O 3.54Å; C103-H108 VanDerWaalsContact CA-O 3.3Å; C103-H108 WeakPolarHBondContact CA-O 3.29Å; C103-L109 VanDerWaalsContact SG-CD1 3.6Å; C103-I133 HydrophobicContact CB-CB 4.06Å; C103-I133 HydrophobicContact CB-CD1 3.66Å; C103-I133 HydrophobicContact CB-CG1 4.43Å; C103-I133 HydrophobicContact CB-CG2 3.91Å
104	S	93.7	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	162.2	174.8	53.9	0	0	0	0	114.2	H85 V88 D106 G107 H108	H85-S104 VanDerWaalsContact CE1-CB 3.43Å; H85-S104 WeakPolarHBondContact CE1-CB 3.48Å; H85-S104 PolarHBondContact CE1-OG 2.87Å; H85-S104 VanDerWaalsContact CE1-OG 3.26Å; H85-S104 WeakPolarHBondContact ND1-CB 3.36Å; V88-S104 VanDerWaalsContact O-CA 3.29Å; V88-S104 WeakPolarHBondContact O-CA 3.43Å; V88-S104 WeakPolarHBondContact O-CB 3.32Å; S104-D106 VanDerWaalsContact CB-OD1 3.25Å; S104-D106 WeakPolarHBondContact CB-OD1 3.36Å; S104-D106 PolarHBondContact O-N 3.31Å; S104-D106 VanDerWaalsContact O-N 3.13Å; S104-D106 PolarHBondContact OG-OD1 3Å; S104-G107 PolarHBondContact O-N 3.09Å; S104-G107 VanDerWaalsContact O-N 3.07Å; S104-H108 PolarHBondContact N-O 3.33Å; S104-H108 WeakPolarHBondContact OG-CB 3.41Å; S104-H108 PolarHBondContact OG-O 3.37Å
105	N	92.9	Very high	93	Very high	55 Å²	55	23.5 Å²	23.5	29%	0.294	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.9	-178.7	-161.8	52	0	0	0	114.2	V88 T90 A132	V88-N105 PolarHBondContact O-N 2.74Å; T90-N105 HydrophobicContact CG2-CB 3.92Å; N105-A132 WeakPolarHBondContact O-CA 3.38Å; N105-A132 WeakPolarHBondContact O-CB 3.27Å; N105-A132 PolarHBondContact O-N 2.82Å; N105-A132 VanDerWaalsContact OD1-CB 3.27Å; N105-A132 WeakPolarHBondContact OD1-CB 3.35Å
106	D	91.6	Very high	92	Very high	35 Å²	35	28.1 Å²	28.1	19%	0.187	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.8	176	66.1	-24	0	0	0	113.4	R86 N87 S104 H108	R86-D106 WeakPolarHBondContact CD-OD2 3.46Å; R86-D106 WeakPolarHBondContact CG-OD2 3.21Å; R86-D106 IonicContact NE-OD2 2.65Å; R86-D106 PolarHBondContact NE-OD2 3.2Å; N87-D106 HydrophobicContact CB-CB 4.21Å; N87-D106 WeakPolarHBondContact CB-OD1 3.43Å; S104-D106 VanDerWaalsContact CB-OD1 3.25Å; S104-D106 WeakPolarHBondContact CB-OD1 3.36Å; S104-D106 PolarHBondContact O-N 3.31Å; S104-D106 VanDerWaalsContact O-N 3.13Å; S104-D106 PolarHBondContact OG-OD1 3Å; D106-H108 VanDerWaalsContact CG-CD2 3.46Å; D106-H108 IonicContact OD1-CD2 3.82Å; D106-H108 IonicContact OD2-CD2 2.65Å; D106-H108 PolarHBondContact OD2-CD2 3.15Å; D106-H108 VanDerWaalsContact OD2-CD2 3.29Å; D106-H108 IonicContact OD2-NE2 2.82Å
107	G	94	Very high	91.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	89.2	13.4	170.9	0	0	0	0	0	115.1	S104 A128 H129 G131	S104-G107 PolarHBondContact O-N 3.09Å; S104-G107 VanDerWaalsContact O-N 3.07Å; G107-A128 PolarHBondContact O-N 3.16Å; G107-H129 PolarHBondContact O-N 3.08Å; G107-G131 WeakPolarHBondContact CA-O 3.05Å; G107-G131 PolarHBondContact N-O 2.88Å
108	H	95.3	Very high	90.7	Very high	15 Å²	15	25.8 Å²	25.8	7%	0.069	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.6	-178.2	-70.1	-84.6	0	0	0	112.8	R86 C103 S104 D106 H125 Y126 R127	R86-H108 PolarHBondContact NE-NE2 3.32Å; C103-H108 CarbonylContact C-O 3.54Å; C103-H108 VanDerWaalsContact CA-O 3.3Å; C103-H108 WeakPolarHBondContact CA-O 3.29Å; S104-H108 PolarHBondContact N-O 3.33Å; S104-H108 WeakPolarHBondContact OG-CB 3.41Å; S104-H108 PolarHBondContact OG-O 3.37Å; D106-H108 VanDerWaalsContact CG-CD2 3.46Å; D106-H108 IonicContact OD1-CD2 3.82Å; D106-H108 IonicContact OD2-CD2 2.65Å; D106-H108 PolarHBondContact OD2-CD2 3.15Å; D106-H108 VanDerWaalsContact OD2-CD2 3.29Å; D106-H108 IonicContact OD2-NE2 2.82Å; H108-H125 AromaticContact CE1-CE1 3.69Å; H108-H125 AromaticContact CE1-NE2 3.56Å; H108-H125 AromaticContact CG-NE2 3.39Å; H108-H125 AromaticContact ND1-CD2 3.81Å; H108-H125 AromaticContact ND1-CE1 3.32Å; H108-H125 PolarHBondContact ND1-CE1 3.46Å; H108-H125 VanDerWaalsContact ND1-CE1 3.32Å; H108-H125 AromaticContact ND1-NE2 2.76Å; H108-H125 PolarHBondContact ND1-NE2 2.7Å; H108-Y126 CarbonylContact C-O 3.52Å; H108-Y126 VanDerWaalsContact CA-O 3.29Å; H108-Y126 WeakPolarHBondContact CA-O 3.14Å; H108-Y126 PolarHBondContact ND1-O 2.79Å; H108-R127 WeakPolarHBondContact ND1-CA 3.34Å
109	L	96.4	Very high	90.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	174.2	171.3	65.8	0	0	0	108.4	M101 T102 C103 F111 Y126 A128 T147 F157	M101-L109 HydrophobicContact CB-CD1 4.09Å; M101-L109 HydrophobicContact CG-CD1 4.4Å; T102-L109 CarbonylContact O-C 3.57Å; T102-L109 WeakPolarHBondContact O-CA 3.33Å; C103-L109 VanDerWaalsContact SG-CD1 3.6Å; L109-F111 HydrophobicContact CD2-CE2 3.71Å; L109-F111 HydrophobicContact CD2-CZ 3.78Å; L109-F111 HydrophobicContact CG-CE2 3.92Å; L109-F111 HydrophobicContact CG-CZ 4.29Å; L109-Y126 PolarHBondContact N-O 2.99Å; L109-Y126 PolarHBondContact O-N 3.17Å; L109-A128 HydrophobicContact CB-CB 4.03Å; L109-T147 HydrophobicContact CD2-CG2 4.31Å; L109-F157 HydrophobicContact CD2-CD1 4.1Å; L109-F157 HydrophobicContact CD2-CD2 3.8Å; L109-F157 HydrophobicContact CD2-CE1 4.04Å; L109-F157 HydrophobicContact CD2-CE2 3.75Å; L109-F157 HydrophobicContact CD2-CG 3.99Å; L109-F157 HydrophobicContact CD2-CZ 3.88Å
110	K	95.9	Very high	90.3	Very high	12 Å²	12	21.8 Å²	21.8	5%	0.052	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.2	174.8	-68.8	-171.2	177.2	-165.5	0	111.2	M101 T102 W112 F122 K124 H125 E499	M101-K110 WeakPolarHBondContact CA-O 3.46Å; T102-K110 PolarHBondContact N-O 3.43Å; T102-K110 PolarHBondContact O-N 2.77Å; K110-W112 HydrophobicContact CB-CZ2 4.04Å; K110-W112 HydrophobicContact CD-CH2 4.28Å; K110-W112 HydrophobicContact CD-CZ2 3.62Å; K110-W112 HydrophobicContact CG-CZ2 4.49Å; K110-F122 HydrophobicContact CB-CE2 4.4Å; K110-F122 HydrophobicContact CD-CD2 4.4Å; K110-F122 HydrophobicContact CD-CE2 4.03Å; K110-F122 HydrophobicContact CG-CE2 4.17Å; K110-K124 WeakPolarHBondContact CA-O 3.48Å; K110-H125 HydrophobicContact CG-CB 4.3Å; K110-E499 IonicContact NZ-OE1 3.55Å; K110-E499 PolarHBondContact NZ-OE1 2.79Å; K110-E499 IonicContact NZ-OE2 3.46Å
111	F	95.4	Very high	90	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.3	173.1	-65.3	-93.4	0	0	0	109.6	L100 M101 L109 I123 K124 Y126 F157 V159 F162	L100-F111 CarbonylContact O-C 3.5Å; L100-F111 WeakPolarHBondContact O-CA 3.39Å; M101-F111 HydrophobicContact CG-CD1 3.6Å; M101-F111 HydrophobicContact CG-CE1 3.55Å; M101-F111 HydrophobicContact CG-CG 4.46Å; M101-F111 HydrophobicContact CG-CZ 4.37Å; M101-F111 HydrophobicContact SD-CD1 4.24Å; M101-F111 HydrophobicContact SD-CE1 3.64Å; M101-F111 HydrophobicContact SD-CZ 4.4Å; L109-F111 HydrophobicContact CD2-CE2 3.71Å; L109-F111 HydrophobicContact CD2-CZ 3.78Å; L109-F111 HydrophobicContact CG-CE2 3.92Å; L109-F111 HydrophobicContact CG-CZ 4.29Å; F111-I123 HydrophobicContact CB-CB 4.3Å; F111-I123 PolarHBondContact O-N 2.89Å; F111-K124 HydrophobicContact CB-CB 4.3Å; F111-K124 HydrophobicContact CD2-CB 4.18Å; F111-K124 PolarHBondContact N-O 3.03Å; F111-K124 PolarHBondContact O-N 3.05Å; F111-Y126 HydrophobicContact CD2-CD2 4.43Å; F111-Y126 AromaticContact CE2-CD2 3.95Å; F111-Y126 HydrophobicContact CE2-CD2 3.95Å; F111-Y126 HydrophobicContact CE2-CE2 4.33Å; F111-F157 HydrophobicContact CZ-CB 4.16Å; F111-F157 HydrophobicContact CZ-CG 4.45Å; F111-V159 HydrophobicContact CE1-CG1 4.33Å; F111-V159 HydrophobicContact CE1-CG2 4.48Å; F111-F162 HydrophobicContact CB-CD1 4.08Å; F111-F162 HydrophobicContact CB-CE1 4.37Å; F111-F162 AromaticContact CD1-CD1 3.98Å; F111-F162 HydrophobicContact CD1-CD1 3.98Å; F111-F162 HydrophobicContact CD1-CE1 4.45Å; F111-F162 AromaticContact CG-CD1 3.97Å; F111-F162 HydrophobicContact CG-CD1 3.97Å
112	W	94.5	Very high	89.7	Confident	1 Å²	1	30 Å²	30	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.3	178.2	-40.1	77.2	0	0	0	109.3	Y83 Y99 L100 T102 K110 L120 E121 F122 I468	Y83-W112 HydrophobicContact CD1-CZ3 4.31Å; Y83-W112 HydrophobicContact CG-CZ3 4.41Å; Y99-W112 WeakPolarHBondContact CA-O 3.5Å; L100-W112 HydrophobicContact CB-CB 4.15Å; L100-W112 HydrophobicContact CD2-CB 4.29Å; L100-W112 HydrophobicContact CD2-CG 4.27Å; L100-W112 PolarHBondContact N-O 2.7Å; L100-W112 PolarHBondContact O-N 3.4Å; T102-W112 PolarHBondContact OG1-NE1 3.13Å; K110-W112 HydrophobicContact CB-CZ2 4.04Å; K110-W112 HydrophobicContact CD-CH2 4.28Å; K110-W112 HydrophobicContact CD-CZ2 3.62Å; K110-W112 HydrophobicContact CG-CZ2 4.49Å; W112-L120 HydrophobicContact CB-CB 4.45Å; W112-L120 HydrophobicContact CB-CD1 4.32Å; W112-L120 HydrophobicContact CD2-CD1 4.46Å; W112-L120 HydrophobicContact CE3-CB 4.23Å; W112-L120 HydrophobicContact CE3-CD1 4.46Å; W112-L120 HydrophobicContact CG-CD1 4.42Å; W112-E121 CarbonylContact C-O 3.59Å; W112-E121 VanDerWaalsContact CA-O 3.25Å; W112-E121 WeakPolarHBondContact CA-O 3.32Å; W112-F122 HydrophobicContact CE3-CB 3.93Å; W112-F122 HydrophobicContact CE3-CD2 4.31Å; W112-F122 HydrophobicContact CH2-CD2 4.39Å; W112-F122 HydrophobicContact CZ3-CB 3.92Å; W112-F122 HydrophobicContact CZ3-CD2 4.23Å; W112-I468 HydrophobicContact CD2-CD1 4.47Å; W112-I468 HydrophobicContact CH2-CD1 4.28Å; W112-I468 HydrophobicContact CZ2-CD1 3.57Å
113	R	90.4	Very high	89.5	Confident	93 Å²	93	32.2 Å²	32.2	35%	0.351	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.7	163.7	59.1	-174.4	-169.8	-171.5	3.2	109.7	Y99 A115 L120 E121 I123	Y99-R113 HydrophobicContact CD1-CB 4.16Å; Y99-R113 HydrophobicContact CE1-CB 4.19Å; R113-A115 PolarHBondContact O-N 2.98Å; R113-L120 CarbonylContact O-C 3.57Å; R113-L120 WeakPolarHBondContact O-CA 3.26Å; R113-E121 HydrophobicContact CG-CB 3.83Å; R113-E121 HydrophobicContact CG-CG 4.47Å; R113-E121 IonicContact CZ-OE1 3.4Å; R113-E121 IonicContact CZ-OE2 3.96Å; R113-E121 PolarHBondContact N-O 3.31Å; R113-E121 IonicContact NE-OE1 3.63Å; R113-E121 IonicContact NE-OE2 2.82Å; R113-E121 PolarHBondContact NE-OE2 3.24Å; R113-E121 IonicContact NH2-OE1 3.97Å; R113-E121 PolarHBondContact NH2-OE1 2.84Å; R113-E121 IonicContact NH2-OE2 3.52Å; R113-E121 PolarHBondContact NH2-OE2 3.31Å; R113-E121 PolarHBondContact O-N 2.92Å; R113-I123 HydrophobicContact CB-CD1 3.82Å; R113-I123 HydrophobicContact CB-CG1 4.43Å; R113-I123 HydrophobicContact CG-CD1 3.92Å; R113-I123 HydrophobicContact CG-CG1 4.05Å
114	K	86.5	Confident	89.3	Confident	14 Å²	14	36.6 Å²	36.6	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.9	163.5	-161.9	-179.2	178.1	-169	0	108.6	M403 A452 I453 T455	K114-M403 HydrophobicContact CB-CE 3.83Å; K114-M403 HydrophobicContact CB-SD 3.7Å; K114-M403 HydrophobicContact CD-CE 3.81Å; K114-M403 HydrophobicContact CD-SD 4.35Å; K114-M403 HydrophobicContact CG-CE 3.6Å; K114-M403 HydrophobicContact CG-SD 4.15Å; K114-A452 PolarHBondContact NZ-O 3.01Å; K114-I453 PolarHBondContact NZ-O 2.94Å; K114-T455 PolarHBondContact NZ-O 2.95Å; K114-T455 PolarHBondContact NZ-OG1 3.5Å
115	A	84.7	Confident	89.3	Confident	20 Å²	20	40.1 Å²	40.1	17%	0.165	21%	0.206	C	C	.	.			trans	-69.6	155.8	172.7	0	0	0	0	0	110.1	R113 G117 G119 E121	R113-A115 PolarHBondContact O-N 2.98Å; A115-G117 PolarHBondContact O-N 2.81Å; A115-G119 PolarHBondContact N-O 2.66Å; A115-G119 VanDerWaalsContact N-O 3.11Å; A115-E121 HydrophobicContact CB-CB 4.48Å
116	D	71.9	Confident	89.3	Confident	100 Å²	100	39.8 Å²	39.8	54%	0.535	20%	0.2	S	C	.	.	S	Bend	trans	-65.5	-21.7	174.2	-62.7	-35.4	0	0	0	111.7	I453	D116-I453 WeakPolarHBondContact O-CG1 3.4Å
117	G	74.2	Confident	89.4	Confident	30 Å²	30	45.7 Å²	45.7	31%	0.309	22%	0.22	S	C	.	.	S	Bend	trans	-96	-130.8	170.2	0	0	0	0	0	112.8	A115	A115-G117 PolarHBondContact O-N 2.81Å
118	V	77	Confident	89.3	Confident	65 Å²	65	46 Å²	46	39%	0.394	22%	0.222	S	C	.	.	S	Bend	trans	-95	137.4	177.2	177.2	0	0	0	0	110.2	E80	E80-V118 HydrophobicContact CG-CG1 4.33Å; E80-V118 VanDerWaalsContact OE1-CG1 3.23Å; E80-V118 WeakPolarHBondContact OE1-CG1 3.46Å
119	G	85.9	Confident	89.3	Confident	8 Å²	8	45.3 Å²	45.3	8%	0.082	22%	0.219	C	C	.	.	S	Bend	trans	91.8	-153.8	170.9	0	0	0	0	0	115.3	Y83 A115	Y83-G119 WeakPolarHBondContact OH-CA 3.35Å; A115-G119 PolarHBondContact N-O 2.66Å; A115-G119 VanDerWaalsContact N-O 3.11Å
120	L	90	Very high	89	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144	-176.6	-61.2	179.4	0	0	0	111.3	Y83 L100 W112 R113 M403 L470	Y83-L120 HydrophobicContact CD2-CB 4.17Å; Y83-L120 HydrophobicContact CD2-CD1 4.12Å; Y83-L120 HydrophobicContact CD2-CG 4.25Å; Y83-L120 HydrophobicContact CE2-CB 3.74Å; Y83-L120 HydrophobicContact CE2-CD1 4.37Å; Y83-L120 HydrophobicContact CE2-CG 3.98Å; Y83-L120 PolarHBondContact OH-N 2.84Å; Y83-L120 PolarHBondContact OH-O 3.13Å; L100-L120 HydrophobicContact CD2-CD1 3.67Å; W112-L120 HydrophobicContact CB-CB 4.45Å; W112-L120 HydrophobicContact CB-CD1 4.32Å; W112-L120 HydrophobicContact CD2-CD1 4.46Å; W112-L120 HydrophobicContact CE3-CB 4.23Å; W112-L120 HydrophobicContact CE3-CD1 4.46Å; W112-L120 HydrophobicContact CG-CD1 4.42Å; R113-L120 CarbonylContact O-C 3.57Å; R113-L120 WeakPolarHBondContact O-CA 3.26Å; L120-M403 HydrophobicContact CD2-CE 4.01Å; L120-M403 HydrophobicContact CD2-SD 4.43Å; L120-L470 HydrophobicContact CD1-CD1 3.85Å; L120-L470 HydrophobicContact CD1-CD2 4.26Å; L120-L470 HydrophobicContact CD2-CD2 3.96Å; L120-L470 HydrophobicContact CG-CD1 4.15Å; L120-L470 HydrophobicContact CG-CD2 3.67Å; L120-L470 HydrophobicContact CG-CG 4.46Å
121	E	89.3	Confident	88.6	Confident	77 Å²	77	52 Å²	52	36%	0.36	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128	166	-175.2	178.9	166.5	0	0	109.6	W112 R113 A115	W112-E121 CarbonylContact C-O 3.59Å; W112-E121 VanDerWaalsContact CA-O 3.25Å; W112-E121 WeakPolarHBondContact CA-O 3.32Å; R113-E121 HydrophobicContact CG-CB 3.83Å; R113-E121 HydrophobicContact CG-CG 4.47Å; R113-E121 IonicContact CZ-OE1 3.4Å; R113-E121 IonicContact CZ-OE2 3.96Å; R113-E121 PolarHBondContact N-O 3.31Å; R113-E121 IonicContact NE-OE1 3.63Å; R113-E121 IonicContact NE-OE2 2.82Å; R113-E121 PolarHBondContact NE-OE2 3.24Å; R113-E121 IonicContact NH2-OE1 3.97Å; R113-E121 PolarHBondContact NH2-OE1 2.84Å; R113-E121 IonicContact NH2-OE2 3.52Å; R113-E121 PolarHBondContact NH2-OE2 3.31Å; R113-E121 PolarHBondContact O-N 2.92Å; A115-E121 HydrophobicContact CB-CB 4.48Å
122	F	91.5	Very high	88.4	Confident	95 Å²	95	52.8 Å²	52.8	42%	0.417	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.2	173.5	169.7	-98.8	0	0	0	110.1	K110 W112 K124 H125	K110-F122 HydrophobicContact CB-CE2 4.4Å; K110-F122 HydrophobicContact CD-CD2 4.4Å; K110-F122 HydrophobicContact CD-CE2 4.03Å; K110-F122 HydrophobicContact CG-CE2 4.17Å; W112-F122 HydrophobicContact CE3-CB 3.93Å; W112-F122 HydrophobicContact CE3-CD2 4.31Å; W112-F122 HydrophobicContact CH2-CD2 4.39Å; W112-F122 HydrophobicContact CZ3-CB 3.92Å; W112-F122 HydrophobicContact CZ3-CD2 4.23Å; F122-K124 WeakPolarHBondContact CE2-O 3.26Å; F122-H125 HydrophobicContact CE2-CB 3.85Å; F122-H125 HydrophobicContact CZ-CB 3.54Å
123	I	91.7	Very high	88.4	Confident	46 Å²	46	52.9 Å²	52.9	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-59.3	-177.3	-52.6	173.2	0	0	0	110.8	Y99 F111 R113 F162	Y99-I123 HydrophobicContact CD1-CD1 3.35Å; Y99-I123 HydrophobicContact CE1-CD1 3.36Å; F111-I123 HydrophobicContact CB-CB 4.3Å; F111-I123 PolarHBondContact O-N 2.89Å; R113-I123 HydrophobicContact CB-CD1 3.82Å; R113-I123 HydrophobicContact CB-CG1 4.43Å; R113-I123 HydrophobicContact CG-CD1 3.92Å; R113-I123 HydrophobicContact CG-CG1 4.05Å; I123-F162 HydrophobicContact CD1-CE1 3.84Å; I123-F162 HydrophobicContact CD1-CZ 3.86Å; I123-F162 HydrophobicContact CG2-CD1 4.14Å; I123-F162 HydrophobicContact CG2-CD2 4.03Å; I123-F162 HydrophobicContact CG2-CE1 3.85Å; I123-F162 HydrophobicContact CG2-CE2 3.73Å; I123-F162 HydrophobicContact CG2-CG 4.22Å; I123-F162 HydrophobicContact CG2-CZ 3.63Å
124	K	92.5	Very high	88.6	Confident	93 Å²	93	51.2 Å²	51.2	40%	0.404	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.2	-168.6	-163.8	72	173.8	-156.9	0	111.1	K110 F111 F122 Y126 F162	K110-K124 WeakPolarHBondContact CA-O 3.48Å; F111-K124 HydrophobicContact CB-CB 4.3Å; F111-K124 HydrophobicContact CD2-CB 4.18Å; F111-K124 PolarHBondContact N-O 3.03Å; F111-K124 PolarHBondContact O-N 3.05Å; F122-K124 WeakPolarHBondContact CE2-O 3.26Å; K124-Y126 HydrophobicContact CG-CD2 4.17Å; K124-Y126 HydrophobicContact CG-CE2 3.64Å; K124-F162 HydrophobicContact CB-CB 4.12Å; K124-F162 HydrophobicContact CB-CG 4.44Å; K124-F162 HydrophobicContact CG-CB 4.1Å
125	H	92.7	Very high	89	Confident	74 Å²	74	50.8 Å²	50.8	34%	0.343	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.4	178.3	166.4	-127.6	0	0	0	110	H108 K110 F122	H108-H125 AromaticContact CE1-CE1 3.69Å; H108-H125 AromaticContact CE1-NE2 3.56Å; H108-H125 AromaticContact CG-NE2 3.39Å; H108-H125 AromaticContact ND1-CD2 3.81Å; H108-H125 AromaticContact ND1-CE1 3.32Å; H108-H125 PolarHBondContact ND1-CE1 3.46Å; H108-H125 VanDerWaalsContact ND1-CE1 3.32Å; H108-H125 AromaticContact ND1-NE2 2.76Å; H108-H125 PolarHBondContact ND1-NE2 2.7Å; K110-H125 HydrophobicContact CG-CB 4.3Å; F122-H125 HydrophobicContact CE2-CB 3.85Å; F122-H125 HydrophobicContact CZ-CB 3.54Å
126	Y	93	Very high	89.6	Confident	47 Å²	47	51.1 Å²	51.1	18%	0.184	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139	171.5	-80.7	-87.3	0	0	0	110.1	H108 L109 F111 K124 A128 F157 F162 M164	H108-Y126 CarbonylContact C-O 3.52Å; H108-Y126 VanDerWaalsContact CA-O 3.29Å; H108-Y126 WeakPolarHBondContact CA-O 3.14Å; H108-Y126 PolarHBondContact ND1-O 2.79Å; L109-Y126 PolarHBondContact N-O 2.99Å; L109-Y126 PolarHBondContact O-N 3.17Å; F111-Y126 HydrophobicContact CD2-CD2 4.43Å; F111-Y126 AromaticContact CE2-CD2 3.95Å; F111-Y126 HydrophobicContact CE2-CD2 3.95Å; F111-Y126 HydrophobicContact CE2-CE2 4.33Å; K124-Y126 HydrophobicContact CG-CD2 4.17Å; K124-Y126 HydrophobicContact CG-CE2 3.64Å; Y126-A128 PolarHBondContact O-N 3.35Å; Y126-F157 HydrophobicContact CD1-CE1 4.09Å; Y126-F157 HydrophobicContact CD2-CD1 4.44Å; Y126-F157 HydrophobicContact CD2-CE1 4.25Å; Y126-F157 AromaticContact CG-CE1 3.92Å; Y126-F157 HydrophobicContact CG-CE1 3.92Å; Y126-F162 WeakPolarHBondContact CE2-O 3.44Å; Y126-F162 PolarHBondContact OH-O 3.31Å; Y126-M164 HydrophobicContact CE1-CB 4.47Å
127	R	94	Very high	90.7	Very high	160 Å²	160	47 Å²	47	60%	0.604	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	82.2	153	-172.4	176.8	-177.7	-179.2	0.6	106.9	H108	H108-R127 WeakPolarHBondContact ND1-CA 3.34Å
128	A	92.6	Very high	91.8	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.237	C	C	.	.			trans	-65.7	-49.3	-175.2	0	0	0	0	0	110.1	G107 L109 Y126 I133 K155 F157	G107-A128 PolarHBondContact O-N 3.16Å; L109-A128 HydrophobicContact CB-CB 4.03Å; Y126-A128 PolarHBondContact O-N 3.35Å; A128-I133 HydrophobicContact CB-CD1 4.38Å; A128-K155 WeakPolarHBondContact O-CD 3.47Å; A128-K155 WeakPolarHBondContact O-CE 3.47Å; A128-K155 PolarHBondContact O-NZ 3.17Å; A128-F157 HydrophobicContact CB-CE2 4.44Å; A128-F157 HydrophobicContact CB-CZ 3.81Å
129	H	94.5	Very high	92.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.221	C	C	.	.			trans	-122.5	160.7	-176.5	-65	-90.3	0	0	0	112	G107 G131 I133 T147 G149 D151 T153 K155	G107-H129 PolarHBondContact O-N 3.08Å; H129-G131 WeakPolarHBondContact CB-O 3.28Å; H129-I133 HydrophobicContact CB-CG1 4.45Å; H129-T147 PolarHBondContact NE2-O 3.4Å; H129-T147 PolarHBondContact NE2-OG1 3.35Å; H129-G149 PolarHBondContact CE1-N 2.93Å; H129-D151 WeakPolarHBondContact CA-OD2 3.44Å; H129-D151 WeakPolarHBondContact CB-OD2 3.33Å; H129-D151 IonicContact CE1-OD1 3.91Å; H129-D151 IonicContact CG-OD1 2.71Å; H129-D151 IonicContact CG-OD2 3.53Å; H129-D151 IonicContact ND1-OD1 3.7Å; H129-D151 PolarHBondContact ND1-OD1 2.89Å; H129-D151 IonicContact ND1-OD2 3.23Å; H129-D151 PolarHBondContact ND1-OD2 2.89Å; H129-T153 PolarHBondContact CE1-O 2.86Å; H129-T153 VanDerWaalsContact CE1-O 3.22Å; H129-T153 PolarHBondContact CE1-OG1 3.03Å; H129-T153 PolarHBondContact ND1-OG1 3.19Å; H129-T153 VanDerWaalsContact ND1-OG1 3.08Å; H129-K155 PolarHBondContact ND1-NZ 3.4Å
130	L	90.4	Very high	93	Very high	131 Å²	131	45.3 Å²	45.3	69%	0.686	23%	0.226	S	C	*	.	S	Bend	trans	-79.5	-26.3	171.9	-67.2	176.2	0	0	0	112.3	D151	L130-D151 HydrophobicContact CB-CB 4.18Å; L130-D151 PolarHBondContact N-OD2 3.26Å
131	G	88.3	Confident	93.1	Very high	21 Å²	21	46.3 Å²	46.3	22%	0.216	23%	0.231	C	C	.	.	S	Bend	trans	-122	-163.8	177.2	0	0	0	0	0	112.5	G107 H129	G107-G131 WeakPolarHBondContact CA-O 3.05Å; G107-G131 PolarHBondContact N-O 2.88Å; H129-G131 WeakPolarHBondContact CB-O 3.28Å
132	A	91.6	Very high	93.2	Very high	17 Å²	17	42.6 Å²	42.6	14%	0.14	21%	0.214	C	C	.	.			trans	-62.6	142.4	-177.1	0	0	0	0	0	112.8	N105 L134 G149 D150	N105-A132 WeakPolarHBondContact O-CA 3.38Å; N105-A132 WeakPolarHBondContact O-CB 3.27Å; N105-A132 PolarHBondContact O-N 2.82Å; N105-A132 VanDerWaalsContact OD1-CB 3.27Å; N105-A132 WeakPolarHBondContact OD1-CB 3.35Å; A132-L134 PolarHBondContact O-N 2.82Å; A132-G149 WeakPolarHBondContact O-CA 3.48Å; A132-D150 PolarHBondContact O-N 2.65Å
133	I	94.7	Very high	93.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.2	171.8	-63.8	173.3	0	0	0	108	H91 C103 A128 H129 G135 T147 V148	H91-I133 PolarHBondContact CE1-O 2.86Å; H91-I133 VanDerWaalsContact CE1-O 3.3Å; H91-I133 PolarHBondContact ND1-O 2.83Å; C103-I133 HydrophobicContact CB-CB 4.06Å; C103-I133 HydrophobicContact CB-CD1 3.66Å; C103-I133 HydrophobicContact CB-CG1 4.43Å; C103-I133 HydrophobicContact CB-CG2 3.91Å; A128-I133 HydrophobicContact CB-CD1 4.38Å; H129-I133 HydrophobicContact CB-CG1 4.45Å; I133-G135 WeakPolarHBondContact CG2-O 3.42Å; I133-T147 HydrophobicContact CG2-CG2 4.41Å; I133-V148 CarbonylContact C-O 3.46Å; I133-V148 WeakPolarHBondContact CA-O 3.38Å
134	L	94.2	Very high	93.5	Very high	58 Å²	58	39 Å²	39	30%	0.304	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-24.6	-175.8	-59.5	177.9	0	0	0	112.5	H91 A132 V148 D150 P174	H91-L134 VanDerWaalsContact CE1-C 3.4Å; H91-L134 PolarHBondContact CE1-O 3.48Å; H91-L134 PolarHBondContact NE2-O 3.24Å; A132-L134 PolarHBondContact O-N 2.82Å; L134-V148 HydrophobicContact CB-CG2 4.45Å; L134-V148 PolarHBondContact N-O 3.11Å; L134-D150 HydrophobicContact CD1-CB 4.23Å; L134-P174 WeakPolarHBondContact CD1-O 3.27Å
135	G	94.3	Very high	93.7	Very high	6 Å²	6	34.6 Å²	34.6	6%	0.062	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	149.2	177.7	0	0	0	0	0	112.9	I133 T147 V148	I133-G135 WeakPolarHBondContact CG2-O 3.42Å; G135-T147 WeakPolarHBondContact O-CA 3.26Å; G135-V148 PolarHBondContact N-O 2.82Å; G135-V148 PolarHBondContact O-N 3.12Å
136	L	96.4	Very high	93.9	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.136	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.4	172.9	172.4	66.4	0	0	0	108.2	H91 A93 M101 C146 T147	H91-L136 HydrophobicContact CB-CB 3.78Å; H91-L136 HydrophobicContact CB-CD2 4.01Å; A93-L136 HydrophobicContact CB-CD2 3.58Å; A93-L136 HydrophobicContact CB-CG 4.15Å; M101-L136 HydrophobicContact CB-CD2 4.32Å; L136-C146 WeakPolarHBondContact CA-O 3.31Å; L136-T147 HydrophobicContact CD1-CG2 3.71Å
137	S	96.5	Very high	94.2	Very high	15 Å²	15	28.9 Å²	28.9	11%	0.105	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.4	171.3	-173.3	0	0	0	0	109.9	A145 C146 C177 C178 F179	S137-A145 CarbonylContact O-C 3.58Å; S137-A145 VanDerWaalsContact O-CA 3.29Å; S137-A145 WeakPolarHBondContact O-CA 3.21Å; S137-C146 PolarHBondContact N-O 3.41Å; S137-C146 PolarHBondContact O-N 3.23Å; S137-C177 WeakPolarHBondContact CB-O 3.39Å; S137-C178 WeakPolarHBondContact OG-CA 3.36Å; S137-F179 WeakPolarHBondContact O-CE2 3.41Å; S137-F179 PolarHBondContact OG-N 3.23Å
138	V	96.4	Very high	94.3	Very high	33 Å²	33	21.2 Å²	21.2	20%	0.2	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.9	170	-174.3	0	0	0	0	108.1	A93 M101 L144	A93-V138 HydrophobicContact CB-CG2 3.53Å; M101-V138 HydrophobicContact CE-CB 4.42Å; M101-V138 HydrophobicContact CE-CG1 4.14Å; M101-V138 HydrophobicContact CE-CG2 3.37Å; M101-V138 HydrophobicContact SD-CG2 4.49Å; V138-L144 WeakPolarHBondContact CA-O 3.27Å
139	S	95.4	Very high	94.4	Very high	6 Å²	6	21 Å²	21	4%	0.042	12%	0.122	C	C	.	.			trans	-67.2	159.5	176	57.1	0	0	0	0	111.6	D141 G142 E143 L144 Y181	S139-D141 VanDerWaalsContact CB-OD1 3.23Å; S139-D141 WeakPolarHBondContact CB-OD1 3.4Å; S139-D141 PolarHBondContact O-N 3.1Å; S139-D141 PolarHBondContact OG-OD1 3.14Å; S139-G142 PolarHBondContact O-N 3.1Å; S139-G142 PolarHBondContact OG-N 3.24Å; S139-E143 PolarHBondContact OG-N 3.48Å; S139-L144 PolarHBondContact N-O 3.38Å; S139-L144 PolarHBondContact OG-N 3.36Å; S139-L144 PolarHBondContact OG-O 2.87Å; S139-Y181 VanDerWaalsContact CB-OH 3.25Å; S139-Y181 WeakPolarHBondContact CB-OH 3.47Å
140	C	93.1	Very high	94.3	Very high	28 Å²	28	25.5 Å²	25.5	19%	0.189	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.9	-177.5	61	0	0	0	0	114	Q96 Y181 P230	Q96-C140 PolarHBondContact NE2-O 3.41Å; Q96-C140 PolarHBondContact OE1-O 2.94Å; C140-Y181 PolarHBondContact SG-O 3.49Å; C140-P230 HydrophobicContact CB-CB 4Å; C140-P230 HydrophobicContact CB-CG 4.32Å
141	D	91.8	Very high	94.5	Very high	30 Å²	30	21.1 Å²	21.1	16%	0.16	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.9	171.6	51.3	25.6	0	0	0	112.8	S139 E143 Y181 P183	S139-D141 VanDerWaalsContact CB-OD1 3.23Å; S139-D141 WeakPolarHBondContact CB-OD1 3.4Å; S139-D141 PolarHBondContact O-N 3.1Å; S139-D141 PolarHBondContact OG-OD1 3.14Å; D141-E143 VanDerWaalsContact C-N 3.26Å; D141-E143 HydrophobicContact CB-CG 4.2Å; D141-E143 PolarHBondContact O-N 3.28Å; D141-E143 PolarHBondContact OD1-N 3.27Å; D141-Y181 PolarHBondContact OD1-OH 2.92Å; D141-Y181 PolarHBondContact OD2-OH 3.14Å; D141-P183 HydrophobicContact CB-CG 4.2Å
142	G	92.5	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	73.6	8.8	-176.8	0	0	0	0	0	115.3	S95 T97 S139	S95-G142 WeakPolarHBondContact CB-O 3.5Å; T97-G142 WeakPolarHBondContact CG2-O 3.41Å; T97-G142 PolarHBondContact OG1-O 2.8Å; S139-G142 PolarHBondContact O-N 3.1Å; S139-G142 PolarHBondContact OG-N 3.24Å
143	E	93.1	Very high	95	Very high	61 Å²	61	24.5 Å²	24.5	29%	0.285	13%	0.131	S	C	.	.	S	Bend	trans	-83	-27.9	-179	-60.3	-168.9	163	0	0	112.9	T97 S139 D141 V159 I160 R206	T97-E143 HydrophobicContact CG2-CG 4.43Å; S139-E143 PolarHBondContact OG-N 3.48Å; D141-E143 VanDerWaalsContact C-N 3.26Å; D141-E143 HydrophobicContact CB-CG 4.2Å; D141-E143 PolarHBondContact O-N 3.28Å; D141-E143 PolarHBondContact OD1-N 3.27Å; E143-V159 WeakPolarHBondContact O-CB 3.28Å; E143-V159 PolarHBondContact O-N 2.99Å; E143-I160 HydrophobicContact CB-CD1 4.48Å; E143-I160 HydrophobicContact CG-CD1 4.05Å; E143-R206 IonicContact OE2-NH2 2.85Å
144	L	95.5	Very high	95	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.3	-176.2	-60.5	178.1	0	0	0	111.4	V138 S139 V156 F157 I165 F179	V138-L144 WeakPolarHBondContact CA-O 3.27Å; S139-L144 PolarHBondContact N-O 3.38Å; S139-L144 PolarHBondContact OG-N 3.36Å; S139-L144 PolarHBondContact OG-O 2.87Å; L144-V156 HydrophobicContact CD2-CG1 4.47Å; L144-F157 CarbonylContact C-O 3.58Å; L144-F157 WeakPolarHBondContact CA-O 3.48Å; L144-I165 HydrophobicContact CD2-CD1 3.62Å; L144-F179 HydrophobicContact CB-CE1 4.27Å; L144-F179 HydrophobicContact CB-CE2 4.34Å; L144-F179 HydrophobicContact CB-CZ 3.78Å; L144-F179 HydrophobicContact CD1-CE1 4.44Å
145	A	97.2	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.7	169.1	0	0	0	0	0	110	M101 S137 V156 F157 V159	M101-A145 HydrophobicContact CE-CB 4.25Å; M101-A145 HydrophobicContact SD-CB 3.42Å; M101-A145 WeakPolarHBondContact SD-CB 3.24Å; S137-A145 CarbonylContact O-C 3.58Å; S137-A145 VanDerWaalsContact O-CA 3.29Å; S137-A145 WeakPolarHBondContact O-CA 3.21Å; A145-V156 CarbonylContact O-C 3.5Å; A145-V156 WeakPolarHBondContact O-CA 3.49Å; A145-F157 PolarHBondContact N-O 2.73Å; A145-F157 PolarHBondContact O-N 3.09Å; A145-V159 HydrophobicContact CB-CG2 3.75Å
146	C	97.2	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.6	175.8	-173.9	0	0	0	0	109	L136 S137 K155 F179 V190	L136-C146 WeakPolarHBondContact CA-O 3.31Å; S137-C146 PolarHBondContact N-O 3.41Å; S137-C146 PolarHBondContact O-N 3.23Å; C146-K155 CarbonylContact C-O 3.56Å; C146-K155 WeakPolarHBondContact CA-O 3.4Å; C146-F179 HydrophobicContact CB-CE2 3.68Å; C146-F179 HydrophobicContact CB-CZ 3.67Å; C146-V190 HydrophobicContact CB-CG2 4.19Å
147	T	97.7	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.5	170.1	62.1	0	0	0	0	110.4	L109 H129 I133 G135 L136 A154 K155 F157	L109-T147 HydrophobicContact CD2-CG2 4.31Å; H129-T147 PolarHBondContact NE2-O 3.4Å; H129-T147 PolarHBondContact NE2-OG1 3.35Å; I133-T147 HydrophobicContact CG2-CG2 4.41Å; G135-T147 WeakPolarHBondContact O-CA 3.26Å; L136-T147 HydrophobicContact CD1-CG2 3.71Å; T147-A154 CarbonylContact O-C 3.54Å; T147-A154 VanDerWaalsContact O-CA 3.3Å; T147-A154 WeakPolarHBondContact O-CA 3.23Å; T147-K155 PolarHBondContact N-O 3.43Å; T147-K155 PolarHBondContact O-N 3.41Å; T147-F157 HydrophobicContact CG2-CE2 4.26Å; T147-F157 WeakPolarHBondContact OG1-CE2 3.36Å
148	V	96.8	Very high	95.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.3	170.5	-66.8	0	0	0	0	109.5	I133 L134 G135 A154 P174 C177 I192	I133-V148 CarbonylContact C-O 3.46Å; I133-V148 WeakPolarHBondContact CA-O 3.38Å; L134-V148 HydrophobicContact CB-CG2 4.45Å; L134-V148 PolarHBondContact N-O 3.11Å; G135-V148 PolarHBondContact N-O 2.82Å; G135-V148 PolarHBondContact O-N 3.12Å; V148-A154 HydrophobicContact CG1-CB 3.78Å; V148-P174 HydrophobicContact CB-CB 3.9Å; V148-P174 HydrophobicContact CB-CG 3.94Å; V148-P174 HydrophobicContact CG1-CB 4.25Å; V148-P174 HydrophobicContact CG2-CB 4.27Å; V148-C177 HydrophobicContact CG1-CB 3.68Å; V148-C177 HydrophobicContact CG2-CB 4.2Å; V148-I192 HydrophobicContact CG1-CD1 4.19Å; V148-I192 HydrophobicContact CG1-CG1 4.45Å; V148-I192 HydrophobicContact CG1-CG2 4.26Å
149	G	95	Very high	94.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	164.1	-177.9	0	0	0	0	0	113.5	H129 A132 D151 K152 T153 P174	H129-G149 PolarHBondContact CE1-N 2.93Å; A132-G149 WeakPolarHBondContact O-CA 3.48Å; G149-D151 PolarHBondContact O-N 2.99Å; G149-D151 VanDerWaalsContact O-N 3.09Å; G149-K152 PolarHBondContact O-N 3.06Å; G149-K152 VanDerWaalsContact O-N 3.12Å; G149-T153 PolarHBondContact N-O 3.33Å; G149-T153 VanDerWaalsContact N-O 3.16Å; G149-P174 WeakPolarHBondContact O-CG 3.43Å
150	D	92.9	Very high	94.7	Very high	97 Å²	97	23 Å²	23	52%	0.519	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.5	176.6	-175.8	32.9	0	0	0	112.8	A132 L134 K152	A132-D150 PolarHBondContact O-N 2.65Å; L134-D150 HydrophobicContact CD1-CB 4.23Å; D150-K152 PolarHBondContact O-N 2.89Å
151	D	93.5	Very high	94.5	Very high	39 Å²	39	26.4 Å²	26.4	21%	0.209	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	11.2	172.6	69.4	-1.5	0	0	0	114.6	H129 L130 G149 T153 K155	H129-D151 WeakPolarHBondContact CA-OD2 3.44Å; H129-D151 WeakPolarHBondContact CB-OD2 3.33Å; H129-D151 IonicContact CE1-OD1 3.91Å; H129-D151 IonicContact CG-OD1 2.71Å; H129-D151 IonicContact CG-OD2 3.53Å; H129-D151 IonicContact ND1-OD1 3.7Å; H129-D151 PolarHBondContact ND1-OD1 2.89Å; H129-D151 IonicContact ND1-OD2 3.23Å; H129-D151 PolarHBondContact ND1-OD2 2.89Å; L130-D151 HydrophobicContact CB-CB 4.18Å; L130-D151 PolarHBondContact N-OD2 3.26Å; G149-D151 PolarHBondContact O-N 2.99Å; G149-D151 VanDerWaalsContact O-N 3.09Å; D151-T153 VanDerWaalsContact CG-OG1 3.26Å; D151-T153 PolarHBondContact O-N 3.28Å; D151-T153 PolarHBondContact OD1-N 2.9Å; D151-T153 PolarHBondContact OD1-OG1 3.2Å; D151-T153 PolarHBondContact OD2-OG1 3.15Å; D151-K155 IonicContact OD2-NZ 3.45Å
152	K	95.2	Very high	94.5	Very high	92 Å²	92	26.7 Å²	26.7	40%	0.4	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	38.2	-177.5	-56.3	-172.9	175	-170	0	112.9	G149 D150 L170 S173	G149-K152 PolarHBondContact O-N 3.06Å; G149-K152 VanDerWaalsContact O-N 3.12Å; D150-K152 PolarHBondContact O-N 2.89Å; K152-L170 WeakPolarHBondContact O-CB 3.49Å; K152-L170 PolarHBondContact O-N 2.92Å; K152-S173 VanDerWaalsContact CE-OG 3.26Å; K152-S173 WeakPolarHBondContact CE-OG 3.44Å
153	T	95.3	Very high	94.4	Very high	16 Å²	16	30.9 Å²	30.9	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.5	172.6	69.6	0	0	0	0	111.2	H129 G149 D151 K155 M168	H129-T153 PolarHBondContact CE1-O 2.86Å; H129-T153 VanDerWaalsContact CE1-O 3.22Å; H129-T153 PolarHBondContact CE1-OG1 3.03Å; H129-T153 PolarHBondContact ND1-OG1 3.19Å; H129-T153 VanDerWaalsContact ND1-OG1 3.08Å; G149-T153 PolarHBondContact N-O 3.33Å; G149-T153 VanDerWaalsContact N-O 3.16Å; D151-T153 VanDerWaalsContact CG-OG1 3.26Å; D151-T153 PolarHBondContact O-N 3.28Å; D151-T153 PolarHBondContact OD1-N 2.9Å; D151-T153 PolarHBondContact OD1-OG1 3.2Å; D151-T153 PolarHBondContact OD2-OG1 3.15Å; T153-K155 PolarHBondContact OG1-NZ 3.14Å; T153-M168 VanDerWaalsContact CA-O 3.28Å; T153-M168 WeakPolarHBondContact CA-O 3.46Å
154	A	96.2	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.9	167.5	0	0	0	0	0	108.5	T147 V148 M168 L170 I192	T147-A154 CarbonylContact O-C 3.54Å; T147-A154 VanDerWaalsContact O-CA 3.3Å; T147-A154 WeakPolarHBondContact O-CA 3.23Å; V148-A154 HydrophobicContact CG1-CB 3.78Å; A154-M168 HydrophobicContact CB-CB 4.24Å; A154-M168 HydrophobicContact CB-CE 3.45Å; A154-M168 VanDerWaalsContact CB-CE 3.45Å; A154-M168 PolarHBondContact N-O 2.99Å; A154-M168 PolarHBondContact O-N 3.19Å; A154-L170 HydrophobicContact CB-CD1 4.27Å; A154-I192 HydrophobicContact CB-CD1 3.51Å
155	K	95.9	Very high	94.1	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.1	-176.7	-64.8	-175.9	-177.4	83.8	0	109.6	A128 H129 C146 T147 D151 T153 F157 M164 S166 M167	A128-K155 WeakPolarHBondContact O-CD 3.47Å; A128-K155 WeakPolarHBondContact O-CE 3.47Å; A128-K155 PolarHBondContact O-NZ 3.17Å; H129-K155 PolarHBondContact ND1-NZ 3.4Å; C146-K155 CarbonylContact C-O 3.56Å; C146-K155 WeakPolarHBondContact CA-O 3.4Å; T147-K155 PolarHBondContact N-O 3.43Å; T147-K155 PolarHBondContact O-N 3.41Å; D151-K155 IonicContact OD2-NZ 3.45Å; T153-K155 PolarHBondContact OG1-NZ 3.14Å; K155-F157 HydrophobicContact CB-CE2 3.66Å; K155-F157 HydrophobicContact CB-CZ 3.89Å; K155-F157 HydrophobicContact CD-CZ 4.49Å; K155-M164 HydrophobicContact CD-SD 3.88Å; K155-M164 HydrophobicContact CG-SD 4.4Å; K155-S166 WeakPolarHBondContact CA-O 3.38Å; K155-M167 HydrophobicContact CD-CE 4.02Å; K155-M167 HydrophobicContact CG-CB 4.45Å; K155-M167 HydrophobicContact CG-CG 4.14Å
156	V	96.4	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.6	179.3	-172.5	0	0	0	0	108.7	L144 A145 I165 S166 M168 F179 A205	L144-V156 HydrophobicContact CD2-CG1 4.47Å; A145-V156 CarbonylContact O-C 3.5Å; A145-V156 WeakPolarHBondContact O-CA 3.49Å; V156-I165 HydrophobicContact CB-CD1 4.35Å; V156-I165 HydrophobicContact CB-CG1 3.91Å; V156-I165 HydrophobicContact CG1-CD1 3.7Å; V156-I165 HydrophobicContact CG1-CG1 3.75Å; V156-I165 WeakPolarHBondContact O-CG1 3.34Å; V156-I165 PolarHBondContact O-N 3.42Å; V156-S166 PolarHBondContact N-O 3.29Å; V156-S166 PolarHBondContact O-N 3.14Å; V156-M168 HydrophobicContact CG2-CE 4.14Å; V156-F179 HydrophobicContact CG1-CZ 4.26Å; V156-A205 HydrophobicContact CG1-CB 4.2Å; V156-A205 HydrophobicContact CG2-CB 4.06Å
157	F	95.8	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.9	-178.1	-58.7	-94.2	0	0	0	109.7	L109 F111 Y126 A128 L144 A145 T147 K155 D163 M164	L109-F157 HydrophobicContact CD2-CD1 4.1Å; L109-F157 HydrophobicContact CD2-CD2 3.8Å; L109-F157 HydrophobicContact CD2-CE1 4.04Å; L109-F157 HydrophobicContact CD2-CE2 3.75Å; L109-F157 HydrophobicContact CD2-CG 3.99Å; L109-F157 HydrophobicContact CD2-CZ 3.88Å; F111-F157 HydrophobicContact CZ-CB 4.16Å; F111-F157 HydrophobicContact CZ-CG 4.45Å; Y126-F157 HydrophobicContact CD1-CE1 4.09Å; Y126-F157 HydrophobicContact CD2-CD1 4.44Å; Y126-F157 HydrophobicContact CD2-CE1 4.25Å; Y126-F157 AromaticContact CG-CE1 3.92Å; Y126-F157 HydrophobicContact CG-CE1 3.92Å; A128-F157 HydrophobicContact CB-CE2 4.44Å; A128-F157 HydrophobicContact CB-CZ 3.81Å; L144-F157 CarbonylContact C-O 3.58Å; L144-F157 WeakPolarHBondContact CA-O 3.48Å; A145-F157 PolarHBondContact N-O 2.73Å; A145-F157 PolarHBondContact O-N 3.09Å; T147-F157 HydrophobicContact CG2-CE2 4.26Å; T147-F157 WeakPolarHBondContact OG1-CE2 3.36Å; K155-F157 HydrophobicContact CB-CE2 3.66Å; K155-F157 HydrophobicContact CB-CZ 3.89Å; K155-F157 HydrophobicContact CD-CZ 4.49Å; F157-D163 CarbonylContact C-O 3.56Å; F157-D163 VanDerWaalsContact CA-O 3.23Å; F157-D163 WeakPolarHBondContact CA-O 3.31Å; F157-M164 HydrophobicContact CD1-CB 3.95Å; F157-M164 HydrophobicContact CD1-CG 4.42Å; F157-M164 HydrophobicContact CE1-CB 3.85Å; F157-M164 HydrophobicContact CE1-CG 4.1Å; F157-M164 HydrophobicContact CZ-CG 4.48Å
158	D	94	Very high	93.4	Very high	31 Å²	31	40.1 Å²	40.1	17%	0.166	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	116.6	161.8	-176.6	-32.2	0	0	0	108	I160 N161 F162 D163 I165	D158-I160 PolarHBondContact OD1-N 3.18Å; D158-N161 HydrophobicContact CB-CB 4.36Å; D158-N161 PolarHBondContact OD1-N 3.15Å; D158-N161 PolarHBondContact OD2-ND2 3.46Å; D158-F162 WeakPolarHBondContact O-CA 3.48Å; D158-F162 PolarHBondContact O-N 2.73Å; D158-D163 PolarHBondContact N-O 2.99Å; D158-D163 PolarHBondContact O-N 3.14Å; D158-I165 HydrophobicContact CB-CG2 3.78Å
159	V	92.8	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.8	-175	-178.4	0	0	0	0	111.4	Y99 M101 F111 E143 A145 F162	Y99-V159 HydrophobicContact CD2-CG1 3.85Å; Y99-V159 HydrophobicContact CG-CG1 4.21Å; M101-V159 HydrophobicContact CE-CG1 4.34Å; M101-V159 HydrophobicContact CE-CG2 4.26Å; M101-V159 HydrophobicContact SD-CG1 4.43Å; M101-V159 HydrophobicContact SD-CG2 3.99Å; F111-V159 HydrophobicContact CE1-CG1 4.33Å; F111-V159 HydrophobicContact CE1-CG2 4.48Å; E143-V159 WeakPolarHBondContact O-CB 3.28Å; E143-V159 PolarHBondContact O-N 2.99Å; A145-V159 HydrophobicContact CB-CG2 3.75Å; V159-F162 VanDerWaalsContact O-CD1 3.29Å; V159-F162 WeakPolarHBondContact O-CD1 3.34Å; V159-F162 WeakPolarHBondContact O-CE1 3.45Å
160	I	90.6	Very high	93.2	Very high	71 Å²	71	49.3 Å²	49.3	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-46.4	-177.9	-62.3	173.1	0	0	0	110.2	T97 E143 D158 F162	T97-I160 HydrophobicContact CG2-CD1 4.06Å; T97-I160 HydrophobicContact CG2-CG1 4Å; E143-I160 HydrophobicContact CB-CD1 4.48Å; E143-I160 HydrophobicContact CG-CD1 4.05Å; D158-I160 PolarHBondContact OD1-N 3.18Å; I160-F162 VanDerWaalsContact C-N 3.34Å; I160-F162 WeakPolarHBondContact O-CE2 3.22Å
161	N	90	Very high	93.2	Very high	101 Å²	101	50.1 Å²	50.1	54%	0.54	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.5	-179.2	-64.3	-51.2	0	0	0	112.6	D158 D163	D158-N161 HydrophobicContact CB-CB 4.36Å; D158-N161 PolarHBondContact OD1-N 3.15Å; D158-N161 PolarHBondContact OD2-ND2 3.46Å; N161-D163 VanDerWaalsContact C-N 3.28Å; N161-D163 PolarHBondContact O-N 3.24Å
162	F	90.9	Very high	93.3	Very high	36 Å²	36	48.7 Å²	48.7	16%	0.158	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	38.2	-176.1	-43.2	-73.4	0	0	0	113	Y99 F111 I123 K124 Y126 D158 V159 I160	Y99-F162 AromaticContact CD1-CE1 3.86Å; Y99-F162 HydrophobicContact CD1-CE1 3.86Å; Y99-F162 HydrophobicContact CD1-CZ 4.09Å; Y99-F162 HydrophobicContact CD2-CE1 4.31Å; Y99-F162 AromaticContact CE1-CE1 3.79Å; Y99-F162 HydrophobicContact CE1-CE1 3.79Å; Y99-F162 AromaticContact CE1-CZ 3.51Å; Y99-F162 HydrophobicContact CE1-CZ 3.51Å; Y99-F162 HydrophobicContact CE2-CE1 4.21Å; Y99-F162 HydrophobicContact CE2-CZ 4.06Å; Y99-F162 HydrophobicContact CG-CE1 4.12Å; Y99-F162 AromaticContact CZ-CE1 3.94Å; Y99-F162 AromaticContact CZ-CZ 3.47Å; Y99-F162 VanDerWaalsContact CZ-CZ 3.47Å; F111-F162 HydrophobicContact CB-CD1 4.08Å; F111-F162 HydrophobicContact CB-CE1 4.37Å; F111-F162 AromaticContact CD1-CD1 3.98Å; F111-F162 HydrophobicContact CD1-CD1 3.98Å; F111-F162 HydrophobicContact CD1-CE1 4.45Å; F111-F162 AromaticContact CG-CD1 3.97Å; F111-F162 HydrophobicContact CG-CD1 3.97Å; I123-F162 HydrophobicContact CD1-CE1 3.84Å; I123-F162 HydrophobicContact CD1-CZ 3.86Å; I123-F162 HydrophobicContact CG2-CD1 4.14Å; I123-F162 HydrophobicContact CG2-CD2 4.03Å; I123-F162 HydrophobicContact CG2-CE1 3.85Å; I123-F162 HydrophobicContact CG2-CE2 3.73Å; I123-F162 HydrophobicContact CG2-CG 4.22Å; I123-F162 HydrophobicContact CG2-CZ 3.63Å; K124-F162 HydrophobicContact CB-CB 4.12Å; K124-F162 HydrophobicContact CB-CG 4.44Å; K124-F162 HydrophobicContact CG-CB 4.1Å; Y126-F162 WeakPolarHBondContact CE2-O 3.44Å; Y126-F162 PolarHBondContact OH-O 3.31Å; D158-F162 WeakPolarHBondContact O-CA 3.48Å; D158-F162 PolarHBondContact O-N 2.73Å; V159-F162 VanDerWaalsContact O-CD1 3.29Å; V159-F162 WeakPolarHBondContact O-CD1 3.34Å; V159-F162 WeakPolarHBondContact O-CE1 3.45Å; I160-F162 VanDerWaalsContact C-N 3.34Å; I160-F162 WeakPolarHBondContact O-CE2 3.22Å
163	D	89.7	Confident	93.3	Very high	87 Å²	87	45.2 Å²	45.2	47%	0.465	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	-176.3	-81.4	-32.7	0	0	0	111.7	F157 D158 N161 I165	F157-D163 CarbonylContact C-O 3.56Å; F157-D163 VanDerWaalsContact CA-O 3.23Å; F157-D163 WeakPolarHBondContact CA-O 3.31Å; D158-D163 PolarHBondContact N-O 2.99Å; D158-D163 PolarHBondContact O-N 3.14Å; N161-D163 VanDerWaalsContact C-N 3.28Å; N161-D163 PolarHBondContact O-N 3.24Å; D163-I165 PolarHBondContact O-N 3.29Å
164	M	92	Very high	93.4	Very high	81 Å²	81	44.5 Å²	44.5	40%	0.399	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112	170.2	-179.5	-173.7	67.1	0	0	108.7	Y126 K155 F157 M167	Y126-M164 HydrophobicContact CE1-CB 4.47Å; K155-M164 HydrophobicContact CD-SD 3.88Å; K155-M164 HydrophobicContact CG-SD 4.4Å; F157-M164 HydrophobicContact CD1-CB 3.95Å; F157-M164 HydrophobicContact CD1-CG 4.42Å; F157-M164 HydrophobicContact CE1-CB 3.85Å; F157-M164 HydrophobicContact CE1-CG 4.1Å; F157-M164 HydrophobicContact CZ-CG 4.48Å; M164-M167 HydrophobicContact CE-CE 3.91Å; M164-M167 HydrophobicContact SD-CE 3.81Å
165	I	90.9	Very high	93.2	Very high	74 Å²	74	46 Å²	46	38%	0.379	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-34.6	-174.9	61.1	167.1	0	0	0	113	L144 V156 D158 D163	L144-I165 HydrophobicContact CD2-CD1 3.62Å; V156-I165 HydrophobicContact CB-CD1 4.35Å; V156-I165 HydrophobicContact CB-CG1 3.91Å; V156-I165 HydrophobicContact CG1-CD1 3.7Å; V156-I165 HydrophobicContact CG1-CG1 3.75Å; V156-I165 WeakPolarHBondContact O-CG1 3.34Å; V156-I165 PolarHBondContact O-N 3.42Å; D158-I165 HydrophobicContact CB-CG2 3.78Å; D163-I165 PolarHBondContact O-N 3.29Å
166	S	92.2	Very high	93.1	Very high	8 Å²	8	46 Å²	46	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.5	-176.3	-167.3	0	0	0	0	111.2	K155 V156 A205 S207	K155-S166 WeakPolarHBondContact CA-O 3.38Å; V156-S166 PolarHBondContact N-O 3.29Å; V156-S166 PolarHBondContact O-N 3.14Å; S166-A205 WeakPolarHBondContact CB-O 3.31Å; S166-S207 PolarHBondContact OG-O 2.85Å
167	M	92.2	Very high	93.1	Very high	93 Å²	93	46.7 Å²	46.7	46%	0.458	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	116.7	173.9	178.6	-175	-67.3	0	0	108.1	K155 M164	K155-M167 HydrophobicContact CD-CE 4.02Å; K155-M167 HydrophobicContact CG-CB 4.45Å; K155-M167 HydrophobicContact CG-CG 4.14Å; M164-M167 HydrophobicContact CE-CE 3.91Å; M164-M167 HydrophobicContact SD-CE 3.81Å
168	M	93.2	Very high	93.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.7	-177	-45.4	-175.1	-79.9	0	0	108.3	T153 A154 V156 V190 I192 F203 G209	T153-M168 VanDerWaalsContact CA-O 3.28Å; T153-M168 WeakPolarHBondContact CA-O 3.46Å; A154-M168 HydrophobicContact CB-CB 4.24Å; A154-M168 HydrophobicContact CB-CE 3.45Å; A154-M168 VanDerWaalsContact CB-CE 3.45Å; A154-M168 PolarHBondContact N-O 2.99Å; A154-M168 PolarHBondContact O-N 3.19Å; V156-M168 HydrophobicContact CG2-CE 4.14Å; M168-V190 HydrophobicContact CE-CG1 3.9Å; M168-I192 HydrophobicContact CE-CD1 4.01Å; M168-F203 HydrophobicContact CE-CB 4.37Å; M168-F203 HydrophobicContact SD-CB 3.63Å; M168-F203 HydrophobicContact SD-CD1 4.29Å; M168-F203 HydrophobicContact SD-CG 4Å; M168-G209 VanDerWaalsContact CG-CA 3.49Å; M168-G209 VanDerWaalsContact SD-CA 3.57Å
169	K	93.2	Very high	93.2	Very high	179 Å²	179	45.9 Å²	45.9	78%	0.778	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.8	171.9	-69	-175.6	179.5	-178.9	0	108.3
170	L	94.4	Very high	93.3	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.068	24%	0.238	C	C	.	.			trans	-95.6	141	179.6	-51.5	176.4	0	0	0	108.9	K152 A154 F172 P174 I192 F203	K152-L170 WeakPolarHBondContact O-CB 3.49Å; K152-L170 PolarHBondContact O-N 2.92Å; A154-L170 HydrophobicContact CB-CD1 4.27Å; L170-F172 HydrophobicContact CB-CD1 4.07Å; L170-F172 HydrophobicContact CB-CE1 3.95Å; L170-F172 HydrophobicContact CB-CZ 4.41Å; L170-F172 HydrophobicContact CD1-CE1 4.41Å; L170-F172 HydrophobicContact CD1-CE2 4.35Å; L170-F172 HydrophobicContact CD1-CZ 4.06Å; L170-F172 HydrophobicContact CD2-CE1 3.93Å; L170-F172 HydrophobicContact CD2-CZ 4.11Å; L170-F172 HydrophobicContact CG-CE1 4.31Å; L170-F172 HydrophobicContact CG-CZ 4.42Å; L170-P174 HydrophobicContact CD1-CB 3.81Å; L170-P174 HydrophobicContact CD1-CG 3.87Å; L170-I192 HydrophobicContact CD1-CD1 4.35Å; L170-I192 HydrophobicContact CD1-CG2 4.11Å; L170-I192 HydrophobicContact CD2-CD1 4.15Å; L170-F203 HydrophobicContact CD2-CE1 4.37Å; L170-F203 HydrophobicContact CD2-CE2 3.88Å; L170-F203 HydrophobicContact CD2-CZ 3.67Å
171	D	93.5	Very high	93.5	Very high	114 Å²	114	42.7 Å²	42.7	61%	0.61	22%	0.222	S	C	*	.	S	Bend	trans	-82.9	-1.7	171.1	57.7	-45.2	0	0	0	112.6	R201	D171-R201 IonicContact OD1-CZ 3.23Å; D171-R201 IonicContact OD1-NH1 3.09Å; D171-R201 PolarHBondContact OD1-NH1 2.81Å; D171-R201 IonicContact OD1-NH2 2.63Å; D171-R201 IonicContact OD2-CZ 2.69Å; D171-R201 IonicContact OD2-NH1 3.93Å; D171-R201 PolarHBondContact OD2-NH1 3.44Å; D171-R201 IonicContact OD2-NH2 3.41Å; D171-R201 PolarHBondContact OD2-NH2 3.17Å; D171-R201 VanDerWaalsContact OD2-NH2 3.12Å
172	F	95	Very high	93.6	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.044	20%	0.201	C	C	.	.	S	Bend	trans	-131.7	167.4	-178.3	65.6	-81.7	0	0	0	111.3	L170 P174 I192 D194 R201 F203	L170-F172 HydrophobicContact CB-CD1 4.07Å; L170-F172 HydrophobicContact CB-CE1 3.95Å; L170-F172 HydrophobicContact CB-CZ 4.41Å; L170-F172 HydrophobicContact CD1-CE1 4.41Å; L170-F172 HydrophobicContact CD1-CE2 4.35Å; L170-F172 HydrophobicContact CD1-CZ 4.06Å; L170-F172 HydrophobicContact CD2-CE1 3.93Å; L170-F172 HydrophobicContact CD2-CZ 4.11Å; L170-F172 HydrophobicContact CG-CE1 4.31Å; L170-F172 HydrophobicContact CG-CZ 4.42Å; F172-P174 HydrophobicContact CE2-CB 4.48Å; F172-I192 HydrophobicContact CE2-CG2 3.85Å; F172-I192 HydrophobicContact CZ-CB 4.28Å; F172-I192 HydrophobicContact CZ-CG2 3.79Å; F172-D194 HydrophobicContact CD2-CB 3.67Å; F172-D194 HydrophobicContact CE2-CB 4.09Å; F172-D194 HydrophobicContact CG-CB 4.4Å; F172-R201 HydrophobicContact CE1-CB 4.39Å; F172-R201 VanDerWaalsContact CE1-CD 3.42Å; F172-R201 HydrophobicContact CE1-CG 4.13Å; F172-R201 HydrophobicContact CZ-CB 4.26Å; F172-R201 HydrophobicContact CZ-CG 4.21Å; F172-F203 HydrophobicContact CE1-CE2 4.48Å; F172-F203 HydrophobicContact CE1-CZ 4.29Å; F172-F203 HydrophobicContact CZ-CE2 4.43Å
173	S	95.4	Very high	93.4	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	22%	0.222	C	C	.	.			trans	-86.8	116.4	176.4	-59.8	0	0	0	0	109.6	K152 Q195	K152-S173 VanDerWaalsContact CE-OG 3.26Å; K152-S173 WeakPolarHBondContact CE-OG 3.44Å; S173-Q195 WeakPolarHBondContact O-CB 3.48Å; S173-Q195 PolarHBondContact O-N 2.95Å
174	P	96.1	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.7	-177.7	30.4	-34.2	0	0	0	111.5	L134 V148 G149 L170 F172 I192 S193	L134-P174 WeakPolarHBondContact CD1-O 3.27Å; V148-P174 HydrophobicContact CB-CB 3.9Å; V148-P174 HydrophobicContact CB-CG 3.94Å; V148-P174 HydrophobicContact CG1-CB 4.25Å; V148-P174 HydrophobicContact CG2-CB 4.27Å; G149-P174 WeakPolarHBondContact O-CG 3.43Å; L170-P174 HydrophobicContact CD1-CB 3.81Å; L170-P174 HydrophobicContact CD1-CG 3.87Å; F172-P174 HydrophobicContact CE2-CB 4.48Å; P174-I192 HydrophobicContact CB-CG2 3.78Å; P174-S193 CarbonylContact C-O 3.55Å; P174-S193 WeakPolarHBondContact CA-O 3.47Å
175	S	93.2	Very high	93.1	Very high	33 Å²	33	43.4 Å²	43.4	23%	0.231	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-44	171.5	167.2	0	0	0	0	111.5	S193 I223	S175-S193 PolarHBondContact N-O 3.22Å; S175-I223 WeakPolarHBondContact CB-O 3.4Å; S175-I223 PolarHBondContact OG-O 2.78Å
176	G	93.9	Very high	92.9	Very high	11 Å²	11	49.2 Å²	49.2	11%	0.113	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	173.3	179.4	0	0	0	0	0	112.4	I192 S193	G176-I192 WeakPolarHBondContact O-CA 3.23Å; G176-S193 PolarHBondContact N-OG 2.95Å; G176-S193 PolarHBondContact O-N 3.36Å; G176-S193 PolarHBondContact O-OG 3.34Å
177	C	96.3	Very high	92.8	Very high	14 Å²	14	51.2 Å²	51.2	10%	0.095	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.3	178	63.1	0	0	0	0	111.8	S137 V148 A191 I192	S137-C177 WeakPolarHBondContact CB-O 3.39Å; V148-C177 HydrophobicContact CG1-CB 3.68Å; V148-C177 HydrophobicContact CG2-CB 4.2Å; C177-A191 CarbonylContact C-O 3.4Å; C177-A191 VanDerWaalsContact CA-O 3.22Å; C177-A191 WeakPolarHBondContact CA-O 3.48Å; C177-I192 HydrophobicContact CB-CG1 4.23Å
178	C	96.5	Very high	92.8	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	134.6	175.2	-172	0	0	0	0	110.8	S137 A191 L226 F228	S137-C178 WeakPolarHBondContact OG-CA 3.36Å; C178-A191 PolarHBondContact N-O 2.98Å; C178-A191 PolarHBondContact O-N 2.89Å; C178-L226 HydrophobicContact CB-CB 3.54Å; C178-L226 HydrophobicContact CB-CD1 4.47Å; C178-F228 PolarHBondContact SG-N 2.75Å
179	F	96	Very high	92.9	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.4	168.3	-75	-76.6	0	0	0	110.5	S137 L144 C146 V156 Y181 V190 A205 F228	S137-F179 WeakPolarHBondContact O-CE2 3.41Å; S137-F179 PolarHBondContact OG-N 3.23Å; L144-F179 HydrophobicContact CB-CE1 4.27Å; L144-F179 HydrophobicContact CB-CE2 4.34Å; L144-F179 HydrophobicContact CB-CZ 3.78Å; L144-F179 HydrophobicContact CD1-CE1 4.44Å; C146-F179 HydrophobicContact CB-CE2 3.68Å; C146-F179 HydrophobicContact CB-CZ 3.67Å; V156-F179 HydrophobicContact CG1-CZ 4.26Å; F179-Y181 HydrophobicContact CB-CD1 4.12Å; F179-Y181 HydrophobicContact CB-CE1 4.15Å; F179-Y181 HydrophobicContact CD1-CD1 4.01Å; F179-Y181 AromaticContact CD1-CE1 3.71Å; F179-Y181 HydrophobicContact CD1-CE1 3.71Å; F179-Y181 HydrophobicContact CE1-CE1 4.41Å; F179-Y181 HydrophobicContact CG-CD1 4.46Å; F179-Y181 HydrophobicContact CG-CE1 4.15Å; F179-V190 HydrophobicContact CD1-CB 4.07Å; F179-V190 HydrophobicContact CD1-CG2 4.29Å; F179-V190 HydrophobicContact CE1-CB 4.23Å; F179-V190 HydrophobicContact CE1-CG2 4.43Å; F179-A205 HydrophobicContact CE1-CB 3.77Å; F179-F228 WeakPolarHBondContact O-CB 3.04Å; F179-F228 VanDerWaalsContact O-CG 3.32Å; F179-F228 WeakPolarHBondContact O-CG 2.93Å
180	I	95	Very high	93	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.206	C	C	.	.			trans	-126.3	43.4	-174.1	57.5	148.2	0	0	0	112.1	A189 A191 I202 F228 A235 W247 Y254	I180-A189 HydrophobicContact CD1-CB 3.9Å; I180-A189 HydrophobicContact CG1-CB 3.7Å; I180-A189 PolarHBondContact N-O 2.68Å; I180-A191 HydrophobicContact CD1-CB 4.4Å; I180-A191 HydrophobicContact CG1-CB 4.31Å; I180-A191 HydrophobicContact CG2-CB 3.88Å; I180-I202 HydrophobicContact CD1-CD1 3.84Å; I180-I202 HydrophobicContact CD1-CG1 4.4Å; I180-I202 HydrophobicContact CD1-CG2 3.81Å; I180-F228 HydrophobicContact CB-CD2 4.03Å; I180-F228 HydrophobicContact CB-CE2 4.33Å; I180-F228 HydrophobicContact CG2-CB 4.49Å; I180-F228 HydrophobicContact CG2-CD2 4.14Å; I180-A235 HydrophobicContact CG2-CB 3.81Å; I180-W247 HydrophobicContact CD1-CH2 3.74Å; I180-W247 HydrophobicContact CD1-CZ3 3.62Å; I180-W247 HydrophobicContact CG2-CH2 3.91Å; I180-W247 HydrophobicContact CG2-CZ2 4.45Å; I180-Y254 HydrophobicContact CD1-CE1 4.09Å
181	Y	93.1	Very high	93.1	Very high	4 Å²	4	38 Å²	38	2%	0.016	20%	0.203	C	C	.	.			trans	-134.9	157.3	-179.1	83.5	-82.6	0	0	0	111	S139 C140 D141 F179 T188 F228	S139-Y181 VanDerWaalsContact CB-OH 3.25Å; S139-Y181 WeakPolarHBondContact CB-OH 3.47Å; C140-Y181 PolarHBondContact SG-O 3.49Å; D141-Y181 PolarHBondContact OD1-OH 2.92Å; D141-Y181 PolarHBondContact OD2-OH 3.14Å; F179-Y181 HydrophobicContact CB-CD1 4.12Å; F179-Y181 HydrophobicContact CB-CE1 4.15Å; F179-Y181 HydrophobicContact CD1-CD1 4.01Å; F179-Y181 AromaticContact CD1-CE1 3.71Å; F179-Y181 HydrophobicContact CD1-CE1 3.71Å; F179-Y181 HydrophobicContact CE1-CE1 4.41Å; F179-Y181 HydrophobicContact CG-CD1 4.46Å; F179-Y181 HydrophobicContact CG-CE1 4.15Å; Y181-T188 HydrophobicContact CD2-CG2 4.05Å; Y181-T188 HydrophobicContact CE1-CG2 4.25Å; Y181-T188 HydrophobicContact CE2-CG2 3.84Å; Y181-T188 HydrophobicContact CG-CG2 4.43Å; Y181-F228 WeakPolarHBondContact O-CE1 3.41Å
182	T	92	Very high	93.3	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.104	17%	0.174	C	C	.	.			trans	-108.7	155.4	167.4	67.8	0	0	0	0	109.6	K184 D185 F228 A233	T182-K184 PolarHBondContact O-N 3Å; T182-D185 PolarHBondContact N-OD2 3.42Å; T182-D185 VanDerWaalsContact O-CB 3.31Å; T182-D185 WeakPolarHBondContact O-CB 3.35Å; T182-D185 PolarHBondContact O-N 3.49Å; T182-D185 PolarHBondContact OG1-OD1 3.45Å; T182-D185 PolarHBondContact OG1-OD2 3.5Å; T182-F228 HydrophobicContact CG2-CE1 4.15Å; T182-F228 HydrophobicContact CG2-CZ 3.95Å; T182-A233 HydrophobicContact CG2-CB 4.12Å
183	P	87.3	Confident	93.4	Very high	94 Å²	94	32 Å²	32	61%	0.61	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.2	-179.8	-24.7	36.2	0	0	0	114.5	D141	D141-P183 HydrophobicContact CB-CG 4.2Å
184	K	87.1	Confident	93.4	Very high	183 Å²	183	31.8 Å²	31.8	80%	0.796	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.5	174.5	-61	179.6	-178.2	175.9	0	112.9	T182 K251	T182-K184 PolarHBondContact O-N 3Å; K184-K251 PolarHBondContact O-NZ 3.06Å
185	D	88	Confident	93.3	Very high	26 Å²	26	36.5 Å²	36.5	14%	0.139	19%	0.191	C	C	.	.	S	Bend	trans	-85.5	141	179.6	-59.1	-28.8	0	0	0	109.8	T182 V187 K251	T182-D185 PolarHBondContact N-OD2 3.42Å; T182-D185 VanDerWaalsContact O-CB 3.31Å; T182-D185 WeakPolarHBondContact O-CB 3.35Å; T182-D185 PolarHBondContact O-N 3.49Å; T182-D185 PolarHBondContact OG1-OD1 3.45Å; T182-D185 PolarHBondContact OG1-OD2 3.5Å; D185-V187 VanDerWaalsContact C-N 3.28Å; D185-V187 PolarHBondContact O-N 2.9Å; D185-K251 WeakPolarHBondContact OD1-CD 3.46Å; D185-K251 WeakPolarHBondContact OD1-CE 3.37Å; D185-K251 IonicContact OD1-NZ 3.94Å; D185-K251 PolarHBondContact OD1-NZ 3.26Å
186	E	86.8	Confident	93.3	Very high	195 Å²	195	40.9 Å²	40.9	91%	0.911	21%	0.212	S	C	*	.	S	Bend	trans	-71.4	-28.6	-179.6	-62.4	-179.9	173.1	0	0	111.9
187	V	90.4	Very high	93.3	Very high	51 Å²	51	41.7 Å²	41.7	31%	0.309	22%	0.216	S	C	.	.	S	Bend	trans	-112	127.3	-176	-176.8	0	0	0	0	110	D185 A189 D204 L212	D185-V187 VanDerWaalsContact C-N 3.28Å; D185-V187 PolarHBondContact O-N 2.9Å; V187-A189 PolarHBondContact O-N 3Å; V187-A189 VanDerWaalsContact O-N 3.1Å; V187-D204 HydrophobicContact CG1-CB 4.06Å; V187-L212 HydrophobicContact CG1-CD1 3.53Å
188	T	92.9	Very high	93.3	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.067	22%	0.22	C	C	.	.			trans	-82.8	80.1	173.7	44.8	0	0	0	0	110.8	Y181 D204 A205 R206	Y181-T188 HydrophobicContact CD2-CG2 4.05Å; Y181-T188 HydrophobicContact CE1-CG2 4.25Å; Y181-T188 HydrophobicContact CE2-CG2 3.84Å; Y181-T188 HydrophobicContact CG-CG2 4.43Å; T188-D204 PolarHBondContact OG1-OD1 2.75Å; T188-A205 VanDerWaalsContact O-CB 3.27Å; T188-A205 WeakPolarHBondContact O-CB 3.44Å; T188-A205 PolarHBondContact O-N 3.19Å; T188-R206 HydrophobicContact CG2-CG 4.24Å; T188-R206 WeakPolarHBondContact OG1-CB 3.46Å; T188-R206 VanDerWaalsContact OG1-CG 3.24Å; T188-R206 WeakPolarHBondContact OG1-CG 3.36Å; T188-R206 PolarHBondContact OG1-N 3.44Å
189	A	94.6	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.5	-176.5	0	0	0	0	0	112.9	I180 V187 I202 F203 L212 P250	I180-A189 HydrophobicContact CD1-CB 3.9Å; I180-A189 HydrophobicContact CG1-CB 3.7Å; I180-A189 PolarHBondContact N-O 2.68Å; V187-A189 PolarHBondContact O-N 3Å; V187-A189 VanDerWaalsContact O-N 3.1Å; A189-I202 HydrophobicContact CB-CG2 3.86Å; A189-F203 CarbonylContact C-O 3.52Å; A189-F203 WeakPolarHBondContact CA-O 3.11Å; A189-L212 HydrophobicContact CB-CD1 4.29Å; A189-P250 HydrophobicContact CB-CG 3.65Å
190	V	95.9	Very high	93.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.6	170.2	66.4	0	0	0	0	110	C146 M168 F179 I202 F203 A205	C146-V190 HydrophobicContact CB-CG2 4.19Å; M168-V190 HydrophobicContact CE-CG1 3.9Å; F179-V190 HydrophobicContact CD1-CB 4.07Å; F179-V190 HydrophobicContact CD1-CG2 4.29Å; F179-V190 HydrophobicContact CE1-CB 4.23Å; F179-V190 HydrophobicContact CE1-CG2 4.43Å; V190-I202 WeakPolarHBondContact O-CA 3.36Å; V190-F203 HydrophobicContact CG1-CB 4Å; V190-F203 PolarHBondContact N-O 2.72Å; V190-F203 PolarHBondContact O-N 3.4Å; V190-A205 HydrophobicContact CB-CB 4.49Å; V190-A205 HydrophobicContact CG1-CB 4.27Å
191	A	97.1	Very high	93.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.1	175.8	0	0	0	0	0	109.9	C177 C178 I180 I200 I202 L226 W247	C177-A191 CarbonylContact C-O 3.4Å; C177-A191 VanDerWaalsContact CA-O 3.22Å; C177-A191 WeakPolarHBondContact CA-O 3.48Å; C178-A191 PolarHBondContact N-O 2.98Å; C178-A191 PolarHBondContact O-N 2.89Å; I180-A191 HydrophobicContact CD1-CB 4.4Å; I180-A191 HydrophobicContact CG1-CB 4.31Å; I180-A191 HydrophobicContact CG2-CB 3.88Å; A191-I200 HydrophobicContact CB-CG2 3.96Å; A191-I202 HydrophobicContact CB-CD1 3.54Å; A191-L226 HydrophobicContact CB-CD1 4.28Å; A191-W247 HydrophobicContact CB-CH2 3.88Å; A191-W247 HydrophobicContact CB-CZ2 4.31Å
192	I	97.2	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.2	176.8	-56.2	-179.7	0	0	0	108.2	V148 A154 M168 L170 F172 P174 G176 C177 R201 F203	V148-I192 HydrophobicContact CG1-CD1 4.19Å; V148-I192 HydrophobicContact CG1-CG1 4.45Å; V148-I192 HydrophobicContact CG1-CG2 4.26Å; A154-I192 HydrophobicContact CB-CD1 3.51Å; M168-I192 HydrophobicContact CE-CD1 4.01Å; L170-I192 HydrophobicContact CD1-CD1 4.35Å; L170-I192 HydrophobicContact CD1-CG2 4.11Å; L170-I192 HydrophobicContact CD2-CD1 4.15Å; F172-I192 HydrophobicContact CE2-CG2 3.85Å; F172-I192 HydrophobicContact CZ-CB 4.28Å; F172-I192 HydrophobicContact CZ-CG2 3.79Å; P174-I192 HydrophobicContact CB-CG2 3.78Å; G176-I192 WeakPolarHBondContact O-CA 3.23Å; C177-I192 HydrophobicContact CB-CG1 4.23Å; I192-R201 PolarHBondContact N-O 3.4Å; I192-R201 PolarHBondContact O-N 2.79Å; I192-F203 HydrophobicContact CB-CD2 4.49Å; I192-F203 HydrophobicContact CB-CE2 4.3Å; I192-F203 HydrophobicContact CD1-CD2 3.76Å; I192-F203 HydrophobicContact CD1-CE2 3.94Å; I192-F203 HydrophobicContact CG1-CD2 4.13Å; I192-F203 HydrophobicContact CG1-CE2 4.36Å
193	S	96.6	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.6	175.4	46.4	0	0	0	0	111.5	P174 S175 G176	P174-S193 CarbonylContact C-O 3.55Å; P174-S193 WeakPolarHBondContact CA-O 3.47Å; S175-S193 PolarHBondContact N-O 3.22Å; G176-S193 PolarHBondContact N-OG 2.95Å; G176-S193 PolarHBondContact O-N 3.36Å; G176-S193 PolarHBondContact O-OG 3.34Å
194	D	95.3	Very high	93.9	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.07	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138	168.5	-166.8	-14.1	0	0	0	110.1	F172 D196 S197 K199	F172-D194 HydrophobicContact CD2-CB 3.67Å; F172-D194 HydrophobicContact CE2-CB 4.09Å; F172-D194 HydrophobicContact CG-CB 4.4Å; D194-D196 PolarHBondContact OD1-N 3.42Å; D194-D196 VanDerWaalsContact OD1-N 3.08Å; D194-S197 VanDerWaalsContact CB-OG 3.29Å; D194-S197 WeakPolarHBondContact CB-OG 3.35Å; D194-S197 PolarHBondContact OD2-OG 2.9Å; D194-K199 PolarHBondContact N-O 3.38Å
195	Q	93.2	Very high	94.2	Very high	99 Å²	99	34.1 Å²	34.1	46%	0.463	17%	0.173	S	C	.	.	S	Bend	trans	-75.4	-33.8	177.7	-175.7	177.9	6.4	0	0	112	S173 P222	S173-Q195 WeakPolarHBondContact O-CB 3.48Å; S173-Q195 PolarHBondContact O-N 2.95Å; Q195-P222 WeakPolarHBondContact O-CB 3.3Å
196	D	93.3	Very high	94.1	Very high	126 Å²	126	39.9 Å²	39.9	67%	0.674	19%	0.192	S	C	*	.	S	Bend	trans	-98.4	-6.1	-172.5	-60.9	-45.6	0	0	0	112.3	D194	D194-D196 PolarHBondContact OD1-N 3.42Å; D194-D196 VanDerWaalsContact OD1-N 3.08Å
197	S	94.8	Very high	93.8	Very high	28 Å²	28	32 Å²	32	20%	0.196	16%	0.159	C	C	.	.	S	Bend	trans	-141.4	162.9	-178.7	81.7	0	0	0	0	112.7	D194 K199	D194-S197 VanDerWaalsContact CB-OG 3.29Å; D194-S197 WeakPolarHBondContact CB-OG 3.35Å; D194-S197 PolarHBondContact OD2-OG 2.9Å; S197-K199 PolarHBondContact O-N 2.87Å; S197-K199 WeakPolarHBondContact OG-CB 3.35Å; S197-K199 WeakPolarHBondContact OG-CG 3.47Å; S197-K199 PolarHBondContact OG-N 2.92Å
198	S	95.2	Very high	93.3	Very high	24 Å²	24	39.6 Å²	39.6	17%	0.168	19%	0.188	C	C	.	.	S	Bend	trans	-78.3	7	175.9	63.5	0	0	0	0	113.9	H219 A221	S198-H219 WeakPolarHBondContact CB-O 3.48Å; S198-H219 PolarHBondContact OG-O 3.25Å; S198-A221 WeakPolarHBondContact CA-O 3.47Å; S198-A221 WeakPolarHBondContact CB-O 3.33Å
199	K	96.1	Very high	92.4	Very high	70 Å²	70	39.9 Å²	39.9	30%	0.304	19%	0.193	S	C	.	.			trans	-78.5	138.5	-174.8	-59.1	-172.3	-176.9	-161.5	0	111.4	D194 S197 T214 I215 E216	D194-K199 PolarHBondContact N-O 3.38Å; S197-K199 PolarHBondContact O-N 2.87Å; S197-K199 WeakPolarHBondContact OG-CB 3.35Å; S197-K199 WeakPolarHBondContact OG-CG 3.47Å; S197-K199 PolarHBondContact OG-N 2.92Å; K199-T214 HydrophobicContact CB-CG2 4.39Å; K199-T214 HydrophobicContact CD-CG2 4.29Å; K199-I215 WeakPolarHBondContact CA-O 3.35Å; K199-E216 HydrophobicContact CD-CG 4.15Å; K199-E216 WeakPolarHBondContact CE-OE1 3.47Å; K199-E216 HydrophobicContact CG-CG 4.3Å; K199-E216 IonicContact NZ-OE1 3.67Å; K199-E216 PolarHBondContact NZ-OE1 2.92Å
200	I	96.8	Very high	92	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.6	169	-54.2	169.2	0	0	0	107.7	A191 I202 T214 I215 L218 I223 L226 W247	A191-I200 HydrophobicContact CB-CG2 3.96Å; I200-I202 HydrophobicContact CG2-CD1 3.87Å; I200-T214 WeakPolarHBondContact O-CA 3.47Å; I200-I215 HydrophobicContact CB-CB 4.24Å; I200-I215 PolarHBondContact N-O 3.13Å; I200-I215 PolarHBondContact O-N 3.17Å; I200-L218 HydrophobicContact CD1-CD2 4.33Å; I200-I223 HydrophobicContact CD1-CD1 4.44Å; I200-I223 HydrophobicContact CD1-CG1 4.15Å; I200-I223 HydrophobicContact CG1-CG1 3.85Å; I200-L226 HydrophobicContact CD1-CD2 4.11Å; I200-W247 HydrophobicContact CD1-CZ2 4.34Å; I200-W247 HydrophobicContact CG2-CH2 4.48Å; I200-W247 HydrophobicContact CG2-CZ2 4.34Å
201	R	95.9	Very high	91.8	Very high	34 Å²	34	50 Å²	50	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.5	179.9	-56.9	-159.1	-158.5	-175.2	5	110.1	D171 F172 I192 F203 L211 T214	D171-R201 IonicContact OD1-CZ 3.23Å; D171-R201 IonicContact OD1-NH1 3.09Å; D171-R201 PolarHBondContact OD1-NH1 2.81Å; D171-R201 IonicContact OD1-NH2 2.63Å; D171-R201 IonicContact OD2-CZ 2.69Å; D171-R201 IonicContact OD2-NH1 3.93Å; D171-R201 PolarHBondContact OD2-NH1 3.44Å; D171-R201 IonicContact OD2-NH2 3.41Å; D171-R201 PolarHBondContact OD2-NH2 3.17Å; D171-R201 VanDerWaalsContact OD2-NH2 3.12Å; F172-R201 HydrophobicContact CE1-CB 4.39Å; F172-R201 VanDerWaalsContact CE1-CD 3.42Å; F172-R201 HydrophobicContact CE1-CG 4.13Å; F172-R201 HydrophobicContact CZ-CB 4.26Å; F172-R201 HydrophobicContact CZ-CG 4.21Å; I192-R201 PolarHBondContact N-O 3.4Å; I192-R201 PolarHBondContact O-N 2.79Å; R201-F203 HydrophobicContact CB-CD2 4.4Å; R201-F203 HydrophobicContact CB-CE2 3.57Å; R201-F203 HydrophobicContact CB-CZ 4.01Å; R201-L211 HydrophobicContact CB-CD1 3.91Å; R201-T214 HydrophobicContact CG-CG2 4.19Å
202	I	95.9	Very high	91.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.2	-176.5	-48.1	-54.2	0	0	0	108.7	I180 A189 V190 A191 I200 L212 H213 I215 W247 Y254	I180-I202 HydrophobicContact CD1-CD1 3.84Å; I180-I202 HydrophobicContact CD1-CG1 4.4Å; I180-I202 HydrophobicContact CD1-CG2 3.81Å; A189-I202 HydrophobicContact CB-CG2 3.86Å; V190-I202 WeakPolarHBondContact O-CA 3.36Å; A191-I202 HydrophobicContact CB-CD1 3.54Å; I200-I202 HydrophobicContact CG2-CD1 3.87Å; I202-L212 HydrophobicContact CG2-CB 4.44Å; I202-L212 HydrophobicContact CG2-CD1 4.23Å; I202-L212 PolarHBondContact O-N 3.46Å; I202-H213 HydrophobicContact CB-CB 4.28Å; I202-H213 HydrophobicContact CG1-CB 4.31Å; I202-H213 PolarHBondContact N-O 2.7Å; I202-H213 PolarHBondContact O-N 2.97Å; I202-I215 HydrophobicContact CD1-CD1 4.44Å; I202-W247 HydrophobicContact CD1-CH2 3.7Å; I202-W247 HydrophobicContact CD1-CZ3 4.05Å; I202-Y254 HydrophobicContact CB-CE1 4.43Å; I202-Y254 HydrophobicContact CG1-CD1 4.39Å; I202-Y254 HydrophobicContact CG1-CE1 3.94Å; I202-Y254 HydrophobicContact CG2-CE1 4.08Å
203	F	95.5	Very high	91.5	Very high	13 Å²	13	57 Å²	57	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.2	178.1	-60.7	-90.8	0	0	0	110.2	M168 L170 F172 A189 V190 I192 R201 E210 L211	M168-F203 HydrophobicContact CE-CB 4.37Å; M168-F203 HydrophobicContact SD-CB 3.63Å; M168-F203 HydrophobicContact SD-CD1 4.29Å; M168-F203 HydrophobicContact SD-CG 4Å; L170-F203 HydrophobicContact CD2-CE1 4.37Å; L170-F203 HydrophobicContact CD2-CE2 3.88Å; L170-F203 HydrophobicContact CD2-CZ 3.67Å; F172-F203 HydrophobicContact CE1-CE2 4.48Å; F172-F203 HydrophobicContact CE1-CZ 4.29Å; F172-F203 HydrophobicContact CZ-CE2 4.43Å; A189-F203 CarbonylContact C-O 3.52Å; A189-F203 WeakPolarHBondContact CA-O 3.11Å; V190-F203 HydrophobicContact CG1-CB 4Å; V190-F203 PolarHBondContact N-O 2.72Å; V190-F203 PolarHBondContact O-N 3.4Å; I192-F203 HydrophobicContact CB-CD2 4.49Å; I192-F203 HydrophobicContact CB-CE2 4.3Å; I192-F203 HydrophobicContact CD1-CD2 3.76Å; I192-F203 HydrophobicContact CD1-CE2 3.94Å; I192-F203 HydrophobicContact CG1-CD2 4.13Å; I192-F203 HydrophobicContact CG1-CE2 4.36Å; R201-F203 HydrophobicContact CB-CD2 4.4Å; R201-F203 HydrophobicContact CB-CE2 3.57Å; R201-F203 HydrophobicContact CB-CZ 4.01Å; F203-E210 WeakPolarHBondContact CA-O 3.22Å; F203-L211 HydrophobicContact CD1-CB 4.16Å; F203-L211 HydrophobicContact CD1-CD1 4.07Å; F203-L211 HydrophobicContact CE1-CB 3.97Å; F203-L211 HydrophobicContact CE1-CD1 3.65Å; F203-L211 HydrophobicContact CE1-CG 4.4Å; F203-L211 HydrophobicContact CE2-CD1 4.22Å; F203-L211 HydrophobicContact CZ-CD1 3.73Å
204	D	94	Very high	91.4	Very high	26 Å²	26	58.8 Å²	58.8	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.9	164.2	173.5	27.3	0	0	0	110.1	V187 T188 R206 S207 E210 L212	V187-D204 HydrophobicContact CG1-CB 4.06Å; T188-D204 PolarHBondContact OG1-OD1 2.75Å; D204-R206 PolarHBondContact OD1-N 3.23Å; D204-R206 VanDerWaalsContact OD1-N 3.17Å; D204-S207 VanDerWaalsContact CB-OG 3.29Å; D204-S207 WeakPolarHBondContact CB-OG 3.48Å; D204-S207 PolarHBondContact O-OG 2.85Å; D204-S207 WeakPolarHBondContact OD2-CB 3.38Å; D204-S207 PolarHBondContact OD2-N 3.14Å; D204-S207 PolarHBondContact OD2-OG 2.82Å; D204-E210 PolarHBondContact N-O 3.4Å; D204-L212 HydrophobicContact CB-CD1 3.97Å; D204-L212 HydrophobicContact CB-CD2 4.09Å; D204-L212 HydrophobicContact CB-CG 4.13Å
205	A	91.8	Very high	91.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-26	-175	0	0	0	0	0	113.8	V156 S166 F179 T188 V190	V156-A205 HydrophobicContact CG1-CB 4.2Å; V156-A205 HydrophobicContact CG2-CB 4.06Å; S166-A205 WeakPolarHBondContact CB-O 3.31Å; F179-A205 HydrophobicContact CE1-CB 3.77Å; T188-A205 VanDerWaalsContact O-CB 3.27Å; T188-A205 WeakPolarHBondContact O-CB 3.44Å; T188-A205 PolarHBondContact O-N 3.19Å; V190-A205 HydrophobicContact CB-CB 4.49Å; V190-A205 HydrophobicContact CG1-CB 4.27Å
206	R	86.7	Confident	91.3	Very high	147 Å²	147	59 Å²	59	56%	0.555	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-29.2	-178.9	-77.2	-179.1	-173.8	-129.1	2.3	112.8	E143 T188 D204	E143-R206 IonicContact OE2-NH2 2.85Å; T188-R206 HydrophobicContact CG2-CG 4.24Å; T188-R206 WeakPolarHBondContact OG1-CB 3.46Å; T188-R206 VanDerWaalsContact OG1-CG 3.24Å; T188-R206 WeakPolarHBondContact OG1-CG 3.36Å; T188-R206 PolarHBondContact OG1-N 3.44Å; D204-R206 PolarHBondContact OD1-N 3.23Å; D204-R206 VanDerWaalsContact OD1-N 3.17Å
207	S	81.2	Confident	91.1	Very high	31 Å²	31	62.4 Å²	62.4	22%	0.217	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	174.9	170.2	65.7	0	0	0	0	111.6	S166 D204 G209	S166-S207 PolarHBondContact OG-O 2.85Å; D204-S207 VanDerWaalsContact CB-OG 3.29Å; D204-S207 WeakPolarHBondContact CB-OG 3.48Å; D204-S207 PolarHBondContact O-OG 2.85Å; D204-S207 WeakPolarHBondContact OD2-CB 3.38Å; D204-S207 PolarHBondContact OD2-N 3.14Å; D204-S207 PolarHBondContact OD2-OG 2.82Å; S207-G209 PolarHBondContact O-N 3.2Å
208	K	79.2	Confident	91	Very high	210 Å²	210	63.3 Å²	63.3	91%	0.913	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	41.8	177.7	-69.5	-176.5	176.2	177.9	0	112.7
209	G	73.8	Confident	90.9	Very high	17 Å²	17	62.6 Å²	62.6	18%	0.175	29%	0.294	C	S	.	.	S	Bend	trans	75.1	39.6	177	0	0	0	0	0	114.2	M168 S207 L211	M168-G209 VanDerWaalsContact CG-CA 3.49Å; M168-G209 VanDerWaalsContact SD-CA 3.57Å; S207-G209 PolarHBondContact O-N 3.2Å; G209-L211 PolarHBondContact O-N 2.9Å
210	E	86.9	Confident	90.8	Very high	131 Å²	131	68.3 Å²	68.3	61%	0.612	32%	0.322	S	S	*	.			trans	-66.9	129.4	176.4	-170	172.9	173.7	0	0	110.4	F203 D204 L212	F203-E210 WeakPolarHBondContact CA-O 3.22Å; D204-E210 PolarHBondContact N-O 3.4Å; E210-L212 PolarHBondContact O-N 2.92Å
211	L	92.3	Very high	90.7	Very high	82 Å²	82	68.7 Å²	68.7	43%	0.429	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.2	174.6	179.4	71.8	0	0	0	108.9	R201 F203 G209	R201-L211 HydrophobicContact CB-CD1 3.91Å; F203-L211 HydrophobicContact CD1-CB 4.16Å; F203-L211 HydrophobicContact CD1-CD1 4.07Å; F203-L211 HydrophobicContact CE1-CB 3.97Å; F203-L211 HydrophobicContact CE1-CD1 3.65Å; F203-L211 HydrophobicContact CE1-CG 4.4Å; F203-L211 HydrophobicContact CE2-CD1 4.22Å; F203-L211 HydrophobicContact CZ-CD1 3.73Å; G209-L211 PolarHBondContact O-N 2.9Å
212	L	92.5	Very high	90.7	Very high	65 Å²	65	69.1 Å²	69.1	34%	0.34	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-43.7	-179.5	-59	175.8	0	0	0	112	V187 A189 I202 D204 E210	V187-L212 HydrophobicContact CG1-CD1 3.53Å; A189-L212 HydrophobicContact CB-CD1 4.29Å; I202-L212 HydrophobicContact CG2-CB 4.44Å; I202-L212 HydrophobicContact CG2-CD1 4.23Å; I202-L212 PolarHBondContact O-N 3.46Å; D204-L212 HydrophobicContact CB-CD1 3.97Å; D204-L212 HydrophobicContact CB-CD2 4.09Å; D204-L212 HydrophobicContact CB-CG 4.13Å; E210-L212 PolarHBondContact O-N 2.92Å
213	H	93.6	Very high	90.7	Very high	80 Å²	80	69.1 Å²	69.1	37%	0.37	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.4	-173.6	-164.4	63.6	0	0	0	112.3	I202 Y254	I202-H213 HydrophobicContact CB-CB 4.28Å; I202-H213 HydrophobicContact CG1-CB 4.31Å; I202-H213 PolarHBondContact N-O 2.7Å; I202-H213 PolarHBondContact O-N 2.97Å; H213-Y254 HydrophobicContact CB-CD2 4Å; H213-Y254 HydrophobicContact CB-CE2 3.38Å; H213-Y254 AromaticContact CD2-CD2 3.23Å; H213-Y254 WeakPolarHBondContact CD2-CD2 3.45Å; H213-Y254 AromaticContact CD2-CE2 3.62Å; H213-Y254 AromaticContact CD2-CG 3.88Å; H213-Y254 AromaticContact CG-CD2 3.58Å; H213-Y254 AromaticContact CG-CE2 3.46Å; H213-Y254 VanDerWaalsContact CG-CE2 3.46Å; H213-Y254 AromaticContact NE2-CD2 3.82Å
214	T	95.4	Very high	90.6	Very high	38 Å²	38	70.5 Å²	70.5	23%	0.233	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.3	172	-62.6	0	0	0	0	109.3	K199 I200 R201 E216	K199-T214 HydrophobicContact CB-CG2 4.39Å; K199-T214 HydrophobicContact CD-CG2 4.29Å; I200-T214 WeakPolarHBondContact O-CA 3.47Å; R201-T214 HydrophobicContact CG-CG2 4.19Å; T214-E216 HydrophobicContact CG2-CG 3.79Å
215	I	95.2	Very high	90.6	Very high	19 Å²	19	70 Å²	70	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.9	175.8	-55.5	172.8	0	0	0	107.3	K199 I200 I202 L218 W247 Y254	K199-I215 WeakPolarHBondContact CA-O 3.35Å; I200-I215 HydrophobicContact CB-CB 4.24Å; I200-I215 PolarHBondContact N-O 3.13Å; I200-I215 PolarHBondContact O-N 3.17Å; I202-I215 HydrophobicContact CD1-CD1 4.44Å; I215-L218 HydrophobicContact CG2-CB 3.6Å; I215-L218 HydrophobicContact CG2-CD2 4.34Å; I215-W247 HydrophobicContact CD1-CD2 4.01Å; I215-W247 HydrophobicContact CD1-CE3 3.67Å; I215-W247 HydrophobicContact CD1-CH2 4.11Å; I215-W247 HydrophobicContact CD1-CZ2 4.41Å; I215-W247 HydrophobicContact CD1-CZ3 3.74Å; I215-Y254 HydrophobicContact CD1-CD1 4.5Å; I215-Y254 HydrophobicContact CD1-CG 4.41Å
216	E	92.1	Very high	90.8	Very high	99 Å²	99	71.1 Å²	71.1	46%	0.463	35%	0.345	S	S	.	.			trans	-105.2	-25.3	-174.5	-60.8	-166.8	144.4	0	0	114.7	K199 T214	K199-E216 HydrophobicContact CD-CG 4.15Å; K199-E216 WeakPolarHBondContact CE-OE1 3.47Å; K199-E216 HydrophobicContact CG-CG 4.3Å; K199-E216 IonicContact NZ-OE1 3.67Å; K199-E216 PolarHBondContact NZ-OE1 2.92Å; T214-E216 HydrophobicContact CG2-CG 3.79Å
217	K	89	Confident	91.3	Very high	196 Å²	196	64.5 Å²	64.5	85%	0.852	32%	0.323	S	S	*	.	S	Bend	trans	-115.3	12	-166.7	-64	-173.6	179.5	-179.7	0	114.4
218	L	92.2	Very high	92	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.246	32%	0.318	C	S	.	.	S	Bend	trans	-76.3	-37.4	-178.6	-171.8	66.5	0	0	0	111.7	I200 I215 S237 E245 W247	I200-L218 HydrophobicContact CD1-CD2 4.33Å; I215-L218 HydrophobicContact CG2-CB 3.6Å; I215-L218 HydrophobicContact CG2-CD2 4.34Å; L218-S237 WeakPolarHBondContact CD2-OG 3.4Å; L218-E245 HydrophobicContact CD1-CB 3.94Å; L218-E245 HydrophobicContact CD1-CG 4.21Å; L218-E245 HydrophobicContact CD2-CB 4.02Å; L218-E245 HydrophobicContact CG-CB 3.83Å; L218-E245 HydrophobicContact CG-CG 4.11Å; L218-W247 HydrophobicContact CD2-CB 4.39Å; L218-W247 VanDerWaalsContact CD2-CD1 3.41Å; L218-W247 HydrophobicContact CD2-CG 3.95Å
219	H	93.9	Very high	92.8	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.046	27%	0.274	C	S	.	.			trans	-129.1	155.7	179.7	-69.2	-95.2	0	0	0	110.9	S198 I223 S237 D239 M243 E245	S198-H219 WeakPolarHBondContact CB-O 3.48Å; S198-H219 PolarHBondContact OG-O 3.25Å; H219-I223 HydrophobicContact CB-CD1 3.64Å; H219-I223 WeakPolarHBondContact CD2-CD1 3.32Å; H219-S237 PolarHBondContact CE1-O 3.25Å; H219-S237 WeakPolarHBondContact NE2-CB 3.48Å; H219-S237 PolarHBondContact NE2-OG 2.9Å; H219-D239 HydrophobicContact CB-CB 4.32Å; H219-D239 IonicContact CE1-OD2 3.06Å; H219-D239 IonicContact CG-OD2 3.35Å; H219-D239 IonicContact ND1-OD2 2.65Å; H219-D239 PolarHBondContact ND1-OD2 3.24Å; H219-M243 PolarHBondContact CE1-O 3.11Å; H219-E245 VanDerWaalsContact CE1-CG 3.47Å; H219-E245 WeakPolarHBondContact CE1-CG 3.3Å; H219-E245 WeakPolarHBondContact NE2-CB 3.13Å
220	E	93	Very high	93.7	Very high	190 Å²	190	56.2 Å²	56.2	89%	0.888	28%	0.284	S	S	*	.	S	Bend	trans	-92.7	-29.6	172	-62.6	-168.3	165.9	0	0	112
221	A	94.9	Very high	93.9	Very high	7 Å²	7	54.2 Å²	54.2	6%	0.058	28%	0.28	C	S	.	.	S	Bend	trans	-105.4	161.2	-179.2	0	0	0	0	0	112.9	S198 D239 D241	S198-A221 WeakPolarHBondContact CA-O 3.47Å; S198-A221 WeakPolarHBondContact CB-O 3.33Å; A221-D239 HydrophobicContact CB-CB 4.03Å; A221-D241 HydrophobicContact CB-CB 4.12Å; A221-D241 WeakPolarHBondContact CB-OD2 3.38Å
222	P	95.3	Very high	93.9	Very high	43 Å²	43	52.7 Å²	52.7	28%	0.279	27%	0.269	S	S	.	.			trans	-58.8	142.5	176.7	-25.7	34.3	0	0	0	113.4	Q195 D239 S240	Q195-P222 WeakPolarHBondContact O-CB 3.3Å; P222-D239 WeakPolarHBondContact O-CA 3.25Å; P222-D239 WeakPolarHBondContact O-CB 3.42Å; P222-S240 WeakPolarHBondContact CD-OG 3.26Å; P222-S240 PolarHBondContact O-N 2.65Å; P222-S240 PolarHBondContact O-OG 2.8Å
223	I	95.7	Very high	93.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124	-177.4	-51	-56.9	0	0	0	110.3	S175 I200 H219 L226 D239	S175-I223 WeakPolarHBondContact CB-O 3.4Å; S175-I223 PolarHBondContact OG-O 2.78Å; I200-I223 HydrophobicContact CD1-CD1 4.44Å; I200-I223 HydrophobicContact CD1-CG1 4.15Å; I200-I223 HydrophobicContact CG1-CG1 3.85Å; H219-I223 HydrophobicContact CB-CD1 3.64Å; H219-I223 WeakPolarHBondContact CD2-CD1 3.32Å; I223-L226 HydrophobicContact CG2-CD2 3.99Å; I223-L226 HydrophobicContact CG2-CG 4.04Å; I223-D239 HydrophobicContact CD1-CB 4.15Å
224	V	93.8	Very high	93.9	Very high	41 Å²	41	47.6 Å²	47.6	25%	0.248	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-42.2	-178.8	-178.9	0	0	0	0	111	A238 F279 F281	V224-A238 PolarHBondContact N-O 2.6Å; V224-F279 HydrophobicContact CG1-CD2 4.48Å; V224-F279 HydrophobicContact CG1-CE2 4.47Å; V224-F279 HydrophobicContact CG2-CD2 4.28Å; V224-F281 HydrophobicContact CG1-CB 4.34Å
225	C	94.1	Very high	93.9	Very high	15 Å²	15	45.9 Å²	45.9	10%	0.101	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.7	-179	52.8	0	0	0	0	113	A238 V283	C225-A238 PolarHBondContact N-O 2.66Å; C225-A238 PolarHBondContact O-N 2.91Å; C225-A238 VanDerWaalsContact SG-CB 3.54Å; C225-V283 VanDerWaalsContact SG-CG2 3.51Å
226	L	96.1	Very high	94	Very high	24 Å²	24	45 Å²	45	13%	0.126	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.5	-178.8	-70.2	166.8	0	0	0	108.2	C178 A191 I200 I223 L236 W247	C178-L226 HydrophobicContact CB-CB 3.54Å; C178-L226 HydrophobicContact CB-CD1 4.47Å; A191-L226 HydrophobicContact CB-CD1 4.28Å; I200-L226 HydrophobicContact CD1-CD2 4.11Å; I223-L226 HydrophobicContact CG2-CD2 3.99Å; I223-L226 HydrophobicContact CG2-CG 4.04Å; L226-L236 WeakPolarHBondContact CA-O 3.15Å; L226-W247 HydrophobicContact CD2-CZ2 4.38Å
227	A	96.5	Very high	94.2	Very high	9 Å²	9	40.2 Å²	40.2	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.9	174.6	0	0	0	0	0	110.1	A235 L236 V283 F285	A227-A235 CarbonylContact O-C 3.55Å; A227-A235 VanDerWaalsContact O-CA 3.31Å; A227-A235 WeakPolarHBondContact O-CA 3.49Å; A227-L236 PolarHBondContact N-O 3.33Å; A227-L236 PolarHBondContact O-N 3.28Å; A227-V283 HydrophobicContact CB-CB 4.39Å; A227-V283 HydrophobicContact CB-CG1 4.09Å; A227-F285 HydrophobicContact CB-CD2 3.83Å; A227-F285 HydrophobicContact CB-CE2 3.68Å
228	F	96.1	Very high	94.5	Very high	25 Å²	25	30.9 Å²	30.9	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.8	177.8	-178.4	-110.3	0	0	0	111.2	C178 F179 I180 Y181 T182 P230 C234 A235 F285	C178-F228 PolarHBondContact SG-N 2.75Å; F179-F228 WeakPolarHBondContact O-CB 3.04Å; F179-F228 VanDerWaalsContact O-CG 3.32Å; F179-F228 WeakPolarHBondContact O-CG 2.93Å; I180-F228 HydrophobicContact CB-CD2 4.03Å; I180-F228 HydrophobicContact CB-CE2 4.33Å; I180-F228 HydrophobicContact CG2-CB 4.49Å; I180-F228 HydrophobicContact CG2-CD2 4.14Å; Y181-F228 WeakPolarHBondContact O-CE1 3.41Å; T182-F228 HydrophobicContact CG2-CE1 4.15Å; T182-F228 HydrophobicContact CG2-CZ 3.95Å; F228-P230 HydrophobicContact CD1-CB 4.36Å; F228-P230 HydrophobicContact CE1-CB 3.96Å; F228-P230 WeakPolarHBondContact O-CD 3.45Å; F228-C234 WeakPolarHBondContact CD2-O 3.15Å; F228-A235 HydrophobicContact CD2-CB 4.18Å; F228-F285 WeakPolarHBondContact O-CD2 3.36Å
229	N	95.6	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	101.9	175.4	-170.5	-27.1	0	0	0	109.2	V231 Y232 A233 C234 F285 G289 F306	N229-V231 VanDerWaalsContact C-N 3.27Å; N229-V231 PolarHBondContact O-N 3.03Å; N229-V231 PolarHBondContact OD1-N 3.46Å; N229-V231 VanDerWaalsContact OD1-N 3.15Å; N229-Y232 WeakPolarHBondContact ND2-CD2 3.47Å; N229-Y232 PolarHBondContact O-N 2.74Å; N229-Y232 PolarHBondContact OD1-N 3.4Å; N229-A233 WeakPolarHBondContact O-CA 3.44Å; N229-A233 PolarHBondContact O-N 2.8Å; N229-C234 WeakPolarHBondContact CB-O 3.25Å; N229-C234 PolarHBondContact N-O 2.88Å; N229-C234 PolarHBondContact O-N 3.43Å; N229-F285 HydrophobicContact CB-CD1 3.94Å; N229-F285 HydrophobicContact CB-CD2 3.88Å; N229-F285 HydrophobicContact CB-CE1 3.93Å; N229-F285 HydrophobicContact CB-CE2 3.88Å; N229-F285 HydrophobicContact CB-CG 3.91Å; N229-F285 HydrophobicContact CB-CZ 3.91Å; N229-F285 WeakPolarHBondContact ND2-CD1 3.14Å; N229-G289 PolarHBondContact ND2-O 3.07Å; N229-F306 HydrophobicContact CB-CE1 4.39Å; N229-F306 VanDerWaalsContact ND2-CD1 3.27Å; N229-F306 WeakPolarHBondContact ND2-CD1 3.32Å; N229-F306 WeakPolarHBondContact ND2-CE1 3.48Å
230	P	92.8	Very high	94.7	Very high	59 Å²	59	30.4 Å²	30.4	38%	0.383	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24	-177.2	27	-34.1	0	0	0	113.3	C140 F228	C140-P230 HydrophobicContact CB-CB 4Å; C140-P230 HydrophobicContact CB-CG 4.32Å; F228-P230 HydrophobicContact CD1-CB 4.36Å; F228-P230 HydrophobicContact CE1-CB 3.96Å; F228-P230 WeakPolarHBondContact O-CD 3.45Å
231	V	92.6	Very high	94.8	Very high	89 Å²	89	25.8 Å²	25.8	54%	0.539	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-41.4	-179.3	179.7	0	0	0	0	111.1	N229	N229-V231 VanDerWaalsContact C-N 3.27Å; N229-V231 PolarHBondContact O-N 3.03Å; N229-V231 PolarHBondContact OD1-N 3.46Å; N229-V231 VanDerWaalsContact OD1-N 3.15Å
232	Y	92	Very high	94.8	Very high	50 Å²	50	25.5 Å²	25.5	20%	0.196	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-2.9	178	-70.6	-89.2	0	0	0	113.5	N229 C234 T259 L260 G289 F306	N229-Y232 WeakPolarHBondContact ND2-CD2 3.47Å; N229-Y232 PolarHBondContact O-N 2.74Å; N229-Y232 PolarHBondContact OD1-N 3.4Å; Y232-C234 VanDerWaalsContact C-N 3.27Å; Y232-C234 VanDerWaalsContact CB-SG 3.6Å; Y232-C234 PolarHBondContact O-N 2.85Å; Y232-T259 PolarHBondContact O-OG1 3.36Å; Y232-L260 HydrophobicContact CD1-CD2 4.23Å; Y232-G289 WeakPolarHBondContact CE2-O 3.39Å; Y232-F306 AromaticContact CD2-CD1 3.92Å; Y232-F306 HydrophobicContact CD2-CD1 3.92Å; Y232-F306 HydrophobicContact CD2-CE1 4.18Å; Y232-F306 HydrophobicContact CE2-CD1 4.21Å; Y232-F306 HydrophobicContact CG-CD1 4.28Å; Y232-F306 HydrophobicContact CG-CE1 4.17Å
233	A	92.6	Very high	94.7	Very high	37 Å²	37	25.4 Å²	25.4	31%	0.306	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	43.3	-175.5	0	0	0	0	0	113.2	T182 N229 G249	T182-A233 HydrophobicContact CG2-CB 4.12Å; N229-A233 WeakPolarHBondContact O-CA 3.44Å; N229-A233 PolarHBondContact O-N 2.8Å; A233-G249 PolarHBondContact O-N 3.06Å
234	C	93.7	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.1	-178.1	65.4	0	0	0	0	111.8	F228 N229 Y232 W247 P257 F306	F228-C234 WeakPolarHBondContact CD2-O 3.15Å; N229-C234 WeakPolarHBondContact CB-O 3.25Å; N229-C234 PolarHBondContact N-O 2.88Å; N229-C234 PolarHBondContact O-N 3.43Å; Y232-C234 VanDerWaalsContact C-N 3.27Å; Y232-C234 VanDerWaalsContact CB-SG 3.6Å; Y232-C234 PolarHBondContact O-N 2.85Å; C234-W247 CarbonylContact C-O 3.56Å; C234-W247 VanDerWaalsContact CA-O 3.31Å; C234-W247 WeakPolarHBondContact CA-O 3.43Å; C234-W247 WeakPolarHBondContact CB-O 3.46Å; C234-P257 HydrophobicContact CB-CB 3.84Å; C234-P257 HydrophobicContact CB-CG 3.92Å; C234-F306 WeakPolarHBondContact SG-CE1 3.46Å; C234-F306 WeakPolarHBondContact SG-CZ 3.47Å
235	A	95.5	Very high	94.7	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	157	172.1	0	0	0	0	0	110.9	I180 A227 F228 C246 W247	I180-A235 HydrophobicContact CG2-CB 3.81Å; A227-A235 CarbonylContact O-C 3.55Å; A227-A235 VanDerWaalsContact O-CA 3.31Å; A227-A235 WeakPolarHBondContact O-CA 3.49Å; F228-A235 HydrophobicContact CD2-CB 4.18Å; A235-C246 WeakPolarHBondContact O-CA 3.17Å; A235-W247 HydrophobicContact CB-CD2 3.83Å; A235-W247 VanDerWaalsContact CB-CE2 3.45Å; A235-W247 HydrophobicContact CB-CE3 4.2Å; A235-W247 HydrophobicContact CB-CG 4.46Å; A235-W247 HydrophobicContact CB-CH2 3.91Å; A235-W247 HydrophobicContact CB-CZ2 3.51Å; A235-W247 HydrophobicContact CB-CZ3 4.23Å; A235-W247 PolarHBondContact N-O 2.62Å; A235-W247 PolarHBondContact O-N 3.2Å
236	L	96.3	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.8	170.7	178.7	152.8	0	0	0	108.8	L226 A227 L244 E245 V283 F285 L292 F306	L226-L236 WeakPolarHBondContact CA-O 3.15Å; A227-L236 PolarHBondContact N-O 3.33Å; A227-L236 PolarHBondContact O-N 3.28Å; L236-L244 HydrophobicContact CD2-CD2 4.35Å; L236-E245 CarbonylContact C-O 3.56Å; L236-E245 VanDerWaalsContact CA-O 3.26Å; L236-E245 WeakPolarHBondContact CA-O 3.29Å; L236-V283 HydrophobicContact CD2-CG1 3.78Å; L236-V283 HydrophobicContact CD2-CG2 4.45Å; L236-F285 HydrophobicContact CB-CE2 4.09Å; L236-F285 HydrophobicContact CB-CZ 3.8Å; L236-F285 HydrophobicContact CD1-CZ 4.26Å; L236-L292 HydrophobicContact CD1-CD1 4.23Å; L236-L292 HydrophobicContact CD1-CD2 3.47Å; L236-L292 VanDerWaalsContact CD1-CD2 3.47Å; L236-L292 HydrophobicContact CD1-CG 4.5Å; L236-F306 HydrophobicContact CD1-CE2 4.21Å
237	S	96.7	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141	175	43.1	0	0	0	0	110.1	L218 H219 L244 E245 W247	L218-S237 WeakPolarHBondContact CD2-OG 3.4Å; H219-S237 PolarHBondContact CE1-O 3.25Å; H219-S237 WeakPolarHBondContact NE2-CB 3.48Å; H219-S237 PolarHBondContact NE2-OG 2.9Å; S237-L244 WeakPolarHBondContact O-CA 3.28Å; S237-E245 PolarHBondContact N-O 3.17Å; S237-E245 PolarHBondContact O-N 3.41Å; S237-W247 PolarHBondContact OG-NE1 2.8Å
238	A	96.1	Very high	94.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.6	173.4	0	0	0	0	0	110.2	V224 C225 M243 L244 A280 V283	V224-A238 PolarHBondContact N-O 2.6Å; C225-A238 PolarHBondContact N-O 2.66Å; C225-A238 PolarHBondContact O-N 2.91Å; C225-A238 VanDerWaalsContact SG-CB 3.54Å; A238-M243 WeakPolarHBondContact CA-O 3.44Å; A238-L244 HydrophobicContact CB-CD2 3.35Å; A238-A280 HydrophobicContact CB-CB 3.88Å; A238-V283 HydrophobicContact CB-CG2 4.47Å
239	D	95.3	Very high	94	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	174.3	176.2	66.8	25.5	0	0	0	113.3	H219 A221 P222 I223 D241 G242 M243	H219-D239 HydrophobicContact CB-CB 4.32Å; H219-D239 IonicContact CE1-OD2 3.06Å; H219-D239 IonicContact CG-OD2 3.35Å; H219-D239 IonicContact ND1-OD2 2.65Å; H219-D239 PolarHBondContact ND1-OD2 3.24Å; A221-D239 HydrophobicContact CB-CB 4.03Å; P222-D239 WeakPolarHBondContact O-CA 3.25Å; P222-D239 WeakPolarHBondContact O-CB 3.42Å; I223-D239 HydrophobicContact CD1-CB 4.15Å; D239-D241 VanDerWaalsContact C-N 3.27Å; D239-D241 PolarHBondContact O-N 3.04Å; D239-D241 PolarHBondContact OD1-N 3.18Å; D239-D241 VanDerWaalsContact OD1-N 3.12Å; D239-G242 PolarHBondContact O-N 3.47Å; D239-G242 PolarHBondContact OD1-N 2.97Å; D239-M243 PolarHBondContact N-O 2.96Å; D239-M243 VanDerWaalsContact N-O 3.09Å; D239-M243 PolarHBondContact OD1-N 2.76Å; D239-M243 WeakPolarHBondContact OD2-CB 3.33Å
240	S	94.6	Very high	93.4	Very high	43 Å²	43	24 Å²	24	30%	0.301	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13	-179.8	41.6	0	0	0	0	114.5	P222 F279	P222-S240 WeakPolarHBondContact CD-OG 3.26Å; P222-S240 PolarHBondContact O-N 2.65Å; P222-S240 PolarHBondContact O-OG 2.8Å; S240-F279 WeakPolarHBondContact O-CB 3.44Å
241	D	94.5	Very high	93	Very high	92 Å²	92	27 Å²	27	49%	0.492	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.7	173.3	-75.8	-18	0	0	0	112.3	A221 D239 L274	A221-D241 HydrophobicContact CB-CB 4.12Å; A221-D241 WeakPolarHBondContact CB-OD2 3.38Å; D239-D241 VanDerWaalsContact C-N 3.27Å; D239-D241 PolarHBondContact O-N 3.04Å; D239-D241 PolarHBondContact OD1-N 3.18Å; D239-D241 VanDerWaalsContact OD1-N 3.12Å; D241-L274 WeakPolarHBondContact O-CD1 3.4Å
242	G	94.2	Very high	92.7	Very high	1 Å²	1	27 Å²	27	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	95.8	20.4	178	0	0	0	0	0	114.2	D239 L273 T278	D239-G242 PolarHBondContact O-N 3.47Å; D239-G242 PolarHBondContact OD1-N 2.97Å; G242-L273 WeakPolarHBondContact O-CB 3.32Å; G242-T278 WeakPolarHBondContact CA-O 3.27Å
243	M	94.7	Very high	92.5	Very high	41 Å²	41	31.1 Å²	31.1	20%	0.202	17%	0.171	C	C	.	.			trans	-88.6	132	172	-63.8	-74.7	-90.2	0	0	110.7	H219 A238 D239 K265 Y271 L274	H219-M243 PolarHBondContact CE1-O 3.11Å; A238-M243 WeakPolarHBondContact CA-O 3.44Å; D239-M243 PolarHBondContact N-O 2.96Å; D239-M243 VanDerWaalsContact N-O 3.09Å; D239-M243 PolarHBondContact OD1-N 2.76Å; D239-M243 WeakPolarHBondContact OD2-CB 3.33Å; M243-K265 VanDerWaalsContact CE-NZ 3.33Å; M243-Y271 HydrophobicContact CE-CD1 4.41Å; M243-Y271 HydrophobicContact CE-CE1 3.59Å; M243-Y271 HydrophobicContact SD-CD1 3.81Å; M243-Y271 HydrophobicContact SD-CE1 3.6Å; M243-L274 HydrophobicContact SD-CD2 3.79Å
244	L	95.3	Very high	92.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130	170.6	-53.6	178.2	0	0	0	109.3	L236 S237 A238 K265 F270 L273 A280 V294	L236-L244 HydrophobicContact CD2-CD2 4.35Å; S237-L244 WeakPolarHBondContact O-CA 3.28Å; A238-L244 HydrophobicContact CB-CD2 3.35Å; L244-K265 WeakPolarHBondContact O-CE 3.32Å; L244-K265 PolarHBondContact O-NZ 2.82Å; L244-F270 HydrophobicContact CB-CB 4.25Å; L244-F270 HydrophobicContact CB-CD2 4.47Å; L244-F270 HydrophobicContact CB-CG 4.34Å; L244-F270 HydrophobicContact CD1-CB 4.47Å; L244-F270 HydrophobicContact CD1-CD1 4.22Å; L244-F270 HydrophobicContact CD1-CG 4.39Å; L244-L273 HydrophobicContact CD1-CD1 4.13Å; L244-L273 HydrophobicContact CD2-CD1 3.95Å; L244-L273 HydrophobicContact CG-CD1 4.06Å; L244-A280 HydrophobicContact CD2-CB 4.28Å; L244-V294 HydrophobicContact CD1-CG2 4.33Å
245	E	94.3	Very high	92.2	Very high	43 Å²	43	33.9 Å²	33.9	20%	0.201	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.8	177.5	-67	-65.2	156.9	0	0	111	L218 H219 L236 S237 K265	L218-E245 HydrophobicContact CD1-CB 3.94Å; L218-E245 HydrophobicContact CD1-CG 4.21Å; L218-E245 HydrophobicContact CD2-CB 4.02Å; L218-E245 HydrophobicContact CG-CB 3.83Å; L218-E245 HydrophobicContact CG-CG 4.11Å; H219-E245 VanDerWaalsContact CE1-CG 3.47Å; H219-E245 WeakPolarHBondContact CE1-CG 3.3Å; H219-E245 WeakPolarHBondContact NE2-CB 3.13Å; L236-E245 CarbonylContact C-O 3.56Å; L236-E245 VanDerWaalsContact CA-O 3.26Å; L236-E245 WeakPolarHBondContact CA-O 3.29Å; S237-E245 PolarHBondContact N-O 3.17Å; S237-E245 PolarHBondContact O-N 3.41Å; E245-K265 IonicContact OE1-NZ 3.01Å; E245-K265 PolarHBondContact OE1-NZ 2.78Å
246	C	94.3	Very high	92	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.3	178.5	-66	0	0	0	0	110.4	A235 F256 P257 L260 W262	A235-C246 WeakPolarHBondContact O-CA 3.17Å; C246-F256 HydrophobicContact CB-CE2 4.46Å; C246-P257 HydrophobicContact CB-CG 4.21Å; C246-L260 HydrophobicContact CB-CD1 4.26Å; C246-W262 HydrophobicContact CB-CH2 4.4Å
247	W	94.8	Very high	91.6	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157	-178.7	53.1	-79.4	0	0	0	110.6	I180 A191 I200 I202 I215 L218 L226 C234 A235 S237 Y254	I180-W247 HydrophobicContact CD1-CH2 3.74Å; I180-W247 HydrophobicContact CD1-CZ3 3.62Å; I180-W247 HydrophobicContact CG2-CH2 3.91Å; I180-W247 HydrophobicContact CG2-CZ2 4.45Å; A191-W247 HydrophobicContact CB-CH2 3.88Å; A191-W247 HydrophobicContact CB-CZ2 4.31Å; I200-W247 HydrophobicContact CD1-CZ2 4.34Å; I200-W247 HydrophobicContact CG2-CH2 4.48Å; I200-W247 HydrophobicContact CG2-CZ2 4.34Å; I202-W247 HydrophobicContact CD1-CH2 3.7Å; I202-W247 HydrophobicContact CD1-CZ3 4.05Å; I215-W247 HydrophobicContact CD1-CD2 4.01Å; I215-W247 HydrophobicContact CD1-CE3 3.67Å; I215-W247 HydrophobicContact CD1-CH2 4.11Å; I215-W247 HydrophobicContact CD1-CZ2 4.41Å; I215-W247 HydrophobicContact CD1-CZ3 3.74Å; L218-W247 HydrophobicContact CD2-CB 4.39Å; L218-W247 VanDerWaalsContact CD2-CD1 3.41Å; L218-W247 HydrophobicContact CD2-CG 3.95Å; L226-W247 HydrophobicContact CD2-CZ2 4.38Å; C234-W247 CarbonylContact C-O 3.56Å; C234-W247 VanDerWaalsContact CA-O 3.31Å; C234-W247 WeakPolarHBondContact CA-O 3.43Å; C234-W247 WeakPolarHBondContact CB-O 3.46Å; A235-W247 HydrophobicContact CB-CD2 3.83Å; A235-W247 VanDerWaalsContact CB-CE2 3.45Å; A235-W247 HydrophobicContact CB-CE3 4.2Å; A235-W247 HydrophobicContact CB-CG 4.46Å; A235-W247 HydrophobicContact CB-CH2 3.91Å; A235-W247 HydrophobicContact CB-CZ2 3.51Å; A235-W247 HydrophobicContact CB-CZ3 4.23Å; A235-W247 PolarHBondContact N-O 2.62Å; A235-W247 PolarHBondContact O-N 3.2Å; S237-W247 PolarHBondContact OG-NE1 2.8Å; W247-Y254 HydrophobicContact CE3-CD1 4.11Å; W247-Y254 AromaticContact CZ3-CD1 3.83Å; W247-Y254 HydrophobicContact CZ3-CD1 3.83Å; W247-Y254 HydrophobicContact CZ3-CE1 4.5Å
248	S	92.2	Very high	91	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	164.9	-174	58.8	0	0	0	0	112.9	N252 Y254 S255	S248-N252 WeakPolarHBondContact OG-CB 3.18Å; S248-N252 PolarHBondContact OG-O 3.42Å; S248-Y254 WeakPolarHBondContact O-CA 3.49Å; S248-S255 VanDerWaalsContact CB-O 3.26Å; S248-S255 WeakPolarHBondContact CB-O 3.42Å; S248-S255 PolarHBondContact N-O 3.23Å; S248-S255 PolarHBondContact OG-N 2.93Å; S248-S255 VanDerWaalsContact OG-N 3.16Å; S248-S255 PolarHBondContact OG-O 3.24Å
249	G	85.3	Confident	90.5	Very high	8 Å²	8	50.1 Å²	50.1	8%	0.082	26%	0.263	C	S	.	.			trans	-71.9	-173.4	174.5	0	0	0	0	0	114.1	A233 K251 N252 Y254	A233-G249 PolarHBondContact O-N 3.06Å; G249-K251 VanDerWaalsContact C-N 3.28Å; G249-K251 PolarHBondContact O-N 3.28Å; G249-N252 PolarHBondContact O-N 2.65Å; G249-N252 VanDerWaalsContact O-N 3.14Å; G249-Y254 PolarHBondContact O-N 3.49Å
250	P	83.2	Confident	90.2	Very high	29 Å²	29	50.7 Å²	50.7	19%	0.188	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.6	-37.2	-176.9	-25.8	33	0	0	0	114.7	A189 N252 N253 Y254	A189-P250 HydrophobicContact CB-CG 3.65Å; P250-N252 PolarHBondContact O-N 2.96Å; P250-N252 VanDerWaalsContact O-N 3.15Å; P250-N253 PolarHBondContact O-N 3.34Å; P250-N253 VanDerWaalsContact O-N 3.14Å; P250-Y254 HydrophobicContact CB-CE1 4.32Å; P250-Y254 HydrophobicContact CG-CE1 4Å
251	K	84.7	Confident	89.9	Confident	123 Å²	123	56.7 Å²	56.7	54%	0.535	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.9	-29.5	-179.3	-77.4	-174.6	173.8	157.5	0	114.1	K184 D185 G249	K184-K251 PolarHBondContact O-NZ 3.06Å; D185-K251 WeakPolarHBondContact OD1-CD 3.46Å; D185-K251 WeakPolarHBondContact OD1-CE 3.37Å; D185-K251 IonicContact OD1-NZ 3.94Å; D185-K251 PolarHBondContact OD1-NZ 3.26Å; G249-K251 VanDerWaalsContact C-N 3.28Å; G249-K251 PolarHBondContact O-N 3.28Å
252	N	85.8	Confident	89.7	Confident	88 Å²	88	53.2 Å²	53.2	47%	0.471	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-111.8	25.2	-176.4	-68.5	-23.5	0	0	0	111.4	S248 G249 P250 Y254 S255	S248-N252 WeakPolarHBondContact OG-CB 3.18Å; S248-N252 PolarHBondContact OG-O 3.42Å; G249-N252 PolarHBondContact O-N 2.65Å; G249-N252 VanDerWaalsContact O-N 3.14Å; P250-N252 PolarHBondContact O-N 2.96Å; P250-N252 VanDerWaalsContact O-N 3.15Å; N252-Y254 PolarHBondContact O-N 2.92Å; N252-Y254 VanDerWaalsContact O-N 3.15Å; N252-S255 WeakPolarHBondContact O-CB 3.49Å; N252-S255 PolarHBondContact O-N 3.1Å; N252-S255 PolarHBondContact O-OG 3.38Å
253	N	87.5	Confident	89.2	Confident	136 Å²	136	59.8 Å²	59.8	73%	0.727	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36	176.9	-66.5	-43.4	0	0	0	114.2	P250 S255	P250-N253 PolarHBondContact O-N 3.34Å; P250-N253 VanDerWaalsContact O-N 3.14Å; N253-S255 PolarHBondContact O-N 3.35Å
254	Y	90.7	Very high	88.7	Confident	35 Å²	35	64.7 Å²	64.7	14%	0.137	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	19.2	176.8	-43.5	-74.7	0	0	0	114.9	I180 I202 H213 I215 W247 S248 G249 P250 N252	I180-Y254 HydrophobicContact CD1-CE1 4.09Å; I202-Y254 HydrophobicContact CB-CE1 4.43Å; I202-Y254 HydrophobicContact CG1-CD1 4.39Å; I202-Y254 HydrophobicContact CG1-CE1 3.94Å; I202-Y254 HydrophobicContact CG2-CE1 4.08Å; H213-Y254 HydrophobicContact CB-CD2 4Å; H213-Y254 HydrophobicContact CB-CE2 3.38Å; H213-Y254 AromaticContact CD2-CD2 3.23Å; H213-Y254 WeakPolarHBondContact CD2-CD2 3.45Å; H213-Y254 AromaticContact CD2-CE2 3.62Å; H213-Y254 AromaticContact CD2-CG 3.88Å; H213-Y254 AromaticContact CG-CD2 3.58Å; H213-Y254 AromaticContact CG-CE2 3.46Å; H213-Y254 VanDerWaalsContact CG-CE2 3.46Å; H213-Y254 AromaticContact NE2-CD2 3.82Å; I215-Y254 HydrophobicContact CD1-CD1 4.5Å; I215-Y254 HydrophobicContact CD1-CG 4.41Å; W247-Y254 HydrophobicContact CE3-CD1 4.11Å; W247-Y254 AromaticContact CZ3-CD1 3.83Å; W247-Y254 HydrophobicContact CZ3-CD1 3.83Å; W247-Y254 HydrophobicContact CZ3-CE1 4.5Å; S248-Y254 WeakPolarHBondContact O-CA 3.49Å; G249-Y254 PolarHBondContact O-N 3.49Å; P250-Y254 HydrophobicContact CB-CE1 4.32Å; P250-Y254 HydrophobicContact CG-CE1 4Å; N252-Y254 PolarHBondContact O-N 2.92Å; N252-Y254 VanDerWaalsContact O-N 3.15Å
255	S	90.6	Very high	88.1	Confident	60 Å²	60	65.9 Å²	65.9	42%	0.42	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-82	173.2	179.2	65.3	0	0	0	0	111.7	S248 N252 N253	S248-S255 VanDerWaalsContact CB-O 3.26Å; S248-S255 WeakPolarHBondContact CB-O 3.42Å; S248-S255 PolarHBondContact N-O 3.23Å; S248-S255 PolarHBondContact OG-N 2.93Å; S248-S255 VanDerWaalsContact OG-N 3.16Å; S248-S255 PolarHBondContact OG-O 3.24Å; N252-S255 WeakPolarHBondContact O-CB 3.49Å; N252-S255 PolarHBondContact O-N 3.1Å; N252-S255 PolarHBondContact O-OG 3.38Å; N253-S255 PolarHBondContact O-N 3.35Å
256	F	90.1	Very high	87.8	Confident	73 Å²	73	68.1 Å²	68.1	32%	0.32	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-57.8	131.8	175.4	-177.8	-98.3	0	0	0	111.4	C246 Q258 L260 W262	C246-F256 HydrophobicContact CB-CE2 4.46Å; F256-Q258 PolarHBondContact O-N 3.3Å; F256-L260 HydrophobicContact CE2-CD1 4.32Å; F256-L260 HydrophobicContact CZ-CD1 3.98Å; F256-W262 WeakPolarHBondContact CE1-O 3.17Å; F256-W262 HydrophobicContact CE2-CE3 4.08Å; F256-W262 AromaticContact CE2-CH2 3.54Å; F256-W262 HydrophobicContact CE2-CH2 3.54Å; F256-W262 HydrophobicContact CE2-CZ2 4.39Å; F256-W262 AromaticContact CE2-CZ3 3.35Å; F256-W262 HydrophobicContact CE2-CZ3 3.35Å; F256-W262 HydrophobicContact CZ-CD2 4.21Å; F256-W262 AromaticContact CZ-CE3 3.62Å; F256-W262 HydrophobicContact CZ-CE3 3.62Å; F256-W262 AromaticContact CZ-CH2 3.79Å; F256-W262 HydrophobicContact CZ-CH2 3.79Å; F256-W262 HydrophobicContact CZ-CZ2 4.35Å; F256-W262 AromaticContact CZ-CZ3 3.39Å; F256-W262 HydrophobicContact CZ-CZ3 3.39Å
257	P	88.3	Confident	87.5	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.019	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-71	119.1	-176.1	27.7	-35.3	0	0	0	112.5	C234 C246 T259 L260	C234-P257 HydrophobicContact CB-CB 3.84Å; C234-P257 HydrophobicContact CB-CG 3.92Å; C246-P257 HydrophobicContact CB-CG 4.21Å; P257-T259 PolarHBondContact O-N 2.88Å; P257-L260 HydrophobicContact CB-CG 4.44Å; P257-L260 HydrophobicContact CG-CD1 3.59Å; P257-L260 HydrophobicContact CG-CG 3.95Å
258	Q	85.6	Confident	87.5	Confident	190 Å²	190	72 Å²	72	89%	0.888	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-6	176.4	-63.7	-178	-5.7	0	0	114.1	F256 L260	F256-Q258 PolarHBondContact O-N 3.3Å; Q258-L260 VanDerWaalsContact C-N 3.27Å; Q258-L260 PolarHBondContact O-N 2.76Å
259	T	85.4	Confident	87.6	Confident	77 Å²	77	74.5 Å²	74.5	47%	0.472	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.8	-180	52.2	0	0	0	0	113.1	Y232 P257	Y232-T259 PolarHBondContact O-OG1 3.36Å; P257-T259 PolarHBondContact O-N 2.88Å
260	L	88.2	Confident	87.9	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.089	37%	0.37	C	S	.	.	S	Bend	trans	-83.6	154.3	179.7	-58.7	-177.4	0	0	0	111.5	Y232 C246 F256 P257 Q258 W262 F306	Y232-L260 HydrophobicContact CD1-CD2 4.23Å; C246-L260 HydrophobicContact CB-CD1 4.26Å; F256-L260 HydrophobicContact CE2-CD1 4.32Å; F256-L260 HydrophobicContact CZ-CD1 3.98Å; P257-L260 HydrophobicContact CB-CG 4.44Å; P257-L260 HydrophobicContact CG-CD1 3.59Å; P257-L260 HydrophobicContact CG-CG 3.95Å; Q258-L260 VanDerWaalsContact C-N 3.27Å; Q258-L260 PolarHBondContact O-N 2.76Å; L260-W262 VanDerWaalsContact C-N 3.26Å; L260-W262 HydrophobicContact CD1-CH2 4.11Å; L260-W262 HydrophobicContact CD1-CZ2 3.43Å; L260-W262 VanDerWaalsContact CD1-CZ2 3.43Å; L260-W262 PolarHBondContact O-N 3.19Å; L260-F306 HydrophobicContact CD2-CD1 4.04Å; L260-F306 HydrophobicContact CD2-CE1 3.64Å; L260-F306 HydrophobicContact CD2-CZ 4.1Å
261	K	89	Confident	88.3	Confident	168 Å²	168	77.4 Å²	77.4	73%	0.73	38%	0.38	S	S	*	.	S	Bend	trans	-86.4	4	-178.9	-59	-176.7	174.7	-176.9	0	113.6	S307 T308	K261-S307 VanDerWaalsContact CB-O 3.27Å; K261-S307 WeakPolarHBondContact CB-O 3Å; K261-S307 PolarHBondContact N-O 3.17Å; K261-T308 HydrophobicContact CD-CG2 4.33Å
262	W	89	Confident	88.7	Confident	20 Å²	20	72.7 Å²	72.7	8%	0.076	36%	0.362	C	S	.	.			trans	-130.3	147.6	-178.9	53.3	-86.7	0	0	0	108.6	C246 F256 L260 D267 T268 F270 F306	C246-W262 HydrophobicContact CB-CH2 4.4Å; F256-W262 WeakPolarHBondContact CE1-O 3.17Å; F256-W262 HydrophobicContact CE2-CE3 4.08Å; F256-W262 AromaticContact CE2-CH2 3.54Å; F256-W262 HydrophobicContact CE2-CH2 3.54Å; F256-W262 HydrophobicContact CE2-CZ2 4.39Å; F256-W262 AromaticContact CE2-CZ3 3.35Å; F256-W262 HydrophobicContact CE2-CZ3 3.35Å; F256-W262 HydrophobicContact CZ-CD2 4.21Å; F256-W262 AromaticContact CZ-CE3 3.62Å; F256-W262 HydrophobicContact CZ-CE3 3.62Å; F256-W262 AromaticContact CZ-CH2 3.79Å; F256-W262 HydrophobicContact CZ-CH2 3.79Å; F256-W262 HydrophobicContact CZ-CZ2 4.35Å; F256-W262 AromaticContact CZ-CZ3 3.39Å; F256-W262 HydrophobicContact CZ-CZ3 3.39Å; L260-W262 VanDerWaalsContact C-N 3.26Å; L260-W262 HydrophobicContact CD1-CH2 4.11Å; L260-W262 HydrophobicContact CD1-CZ2 3.43Å; L260-W262 VanDerWaalsContact CD1-CZ2 3.43Å; L260-W262 PolarHBondContact O-N 3.19Å; W262-D267 HydrophobicContact CB-CB 4.41Å; W262-T268 HydrophobicContact CB-CG2 4.33Å; W262-T268 HydrophobicContact CD2-CG2 3.28Å; W262-T268 HydrophobicContact CE3-CG2 3.41Å; W262-T268 VanDerWaalsContact CE3-CG2 3.41Å; W262-T268 HydrophobicContact CG-CG2 3.71Å; W262-T268 HydrophobicContact CH2-CG2 4.11Å; W262-T268 HydrophobicContact CZ2-CG2 4.01Å; W262-T268 HydrophobicContact CZ3-CG2 3.83Å; W262-F270 HydrophobicContact CH2-CD2 4.2Å; W262-F270 AromaticContact CH2-CE2 3.87Å; W262-F270 HydrophobicContact CH2-CE2 3.87Å; W262-F270 HydrophobicContact CZ2-CD2 4.27Å; W262-F270 AromaticContact CZ2-CE2 3.56Å; W262-F270 HydrophobicContact CZ2-CE2 3.56Å; W262-F270 HydrophobicContact CZ2-CZ 4.32Å; W262-F306 PolarHBondContact NE1-O 3.24Å
263	E	83.7	Confident	89.1	Confident	139 Å²	139	68.5 Å²	68.5	65%	0.65	34%	0.339	S	S	*	.	S	Bend	trans	-112.7	-39.6	-178.2	-172.2	177.2	-171.7	0	0	110.6
264	Y	84.6	Confident	89.3	Confident	144 Å²	144	65.6 Å²	65.6	57%	0.565	32%	0.323	S	S	*	.	S	Bend	trans	-102	137.2	179.1	-58.7	-79.6	0	0	0	111.3	S266 D267	Y264-S266 WeakPolarHBondContact CB-OG 3.29Å; Y264-S266 PolarHBondContact O-N 3.12Å; Y264-D267 WeakPolarHBondContact O-CB 3.28Å; Y264-D267 PolarHBondContact O-N 2.93Å
265	K	83.8	Confident	89.4	Confident	25 Å²	25	67.6 Å²	67.6	11%	0.109	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-62.3	-26.1	177.3	-166.8	172.1	165.7	167.4	0	112.6	M243 L244 E245 D267 T268 Y271	M243-K265 VanDerWaalsContact CE-NZ 3.33Å; L244-K265 WeakPolarHBondContact O-CE 3.32Å; L244-K265 PolarHBondContact O-NZ 2.82Å; E245-K265 IonicContact OE1-NZ 3.01Å; E245-K265 PolarHBondContact OE1-NZ 2.78Å; K265-D267 PolarHBondContact O-N 3.04Å; K265-T268 WeakPolarHBondContact O-CB 3.3Å; K265-T268 PolarHBondContact O-N 3.04Å; K265-T268 PolarHBondContact O-OG1 2.87Å; K265-Y271 HydrophobicContact CB-CE2 4.06Å; K265-Y271 HydrophobicContact CD-CE1 4.46Å; K265-Y271 HydrophobicContact CD-CE2 3.91Å; K265-Y271 HydrophobicContact CG-CD2 4.24Å; K265-Y271 HydrophobicContact CG-CE2 3.54Å
266	S	86.7	Confident	89.5	Confident	90 Å²	90	68.9 Å²	68.9	63%	0.629	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23.3	172.7	52	0	0	0	0	113.6	Y264 T268	Y264-S266 WeakPolarHBondContact CB-OG 3.29Å; Y264-S266 PolarHBondContact O-N 3.12Å; S266-T268 PolarHBondContact O-N 3.15Å
267	D	89.5	Confident	89.7	Confident	79 Å²	79	74.6 Å²	74.6	42%	0.422	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-80.6	-8.9	177.5	-56.1	-27	0	0	0	111.6	W262 Y264 K265 K310	W262-D267 HydrophobicContact CB-CB 4.41Å; Y264-D267 WeakPolarHBondContact O-CB 3.28Å; Y264-D267 PolarHBondContact O-N 2.93Å; K265-D267 PolarHBondContact O-N 3.04Å; D267-K310 WeakPolarHBondContact O-CE 3.27Å; D267-K310 PolarHBondContact O-NZ 2.91Å
268	T	93.2	Very high	90	Very high	7 Å²	7	75 Å²	75	4%	0.043	37%	0.374	C	S	.	.	S	Bend	trans	-106.5	165.4	-178.7	77.2	0	0	0	0	111.5	W262 K265 S266 F270 G309	W262-T268 HydrophobicContact CB-CG2 4.33Å; W262-T268 HydrophobicContact CD2-CG2 3.28Å; W262-T268 HydrophobicContact CE3-CG2 3.41Å; W262-T268 VanDerWaalsContact CE3-CG2 3.41Å; W262-T268 HydrophobicContact CG-CG2 3.71Å; W262-T268 HydrophobicContact CH2-CG2 4.11Å; W262-T268 HydrophobicContact CZ2-CG2 4.01Å; W262-T268 HydrophobicContact CZ3-CG2 3.83Å; K265-T268 WeakPolarHBondContact O-CB 3.3Å; K265-T268 PolarHBondContact O-N 3.04Å; K265-T268 PolarHBondContact O-OG1 2.87Å; S266-T268 PolarHBondContact O-N 3.15Å; T268-F270 VanDerWaalsContact C-N 3.34Å; T268-F270 PolarHBondContact OG1-N 2.98Å; T268-G309 WeakPolarHBondContact CB-O 3.38Å
269	D	94	Very high	90.5	Very high	53 Å²	53	68.3 Å²	68.3	28%	0.283	34%	0.342	S	S	.	.	S	Bend	trans	-100.7	19.5	175.4	-51.3	-26.7	0	0	0	111.2	Y271 C272 F304 G309 K310 L311	D269-Y271 PolarHBondContact O-N 3.45Å; D269-C272 WeakPolarHBondContact O-CB 3.16Å; D269-C272 PolarHBondContact O-N 3.41Å; D269-C272 VanDerWaalsContact O-N 3.14Å; D269-C272 PolarHBondContact O-SG 3.36Å; D269-F304 HydrophobicContact CB-CE1 4.31Å; D269-G309 PolarHBondContact N-O 3.07Å; D269-K310 IonicContact OD1-NZ 3.23Å; D269-K310 PolarHBondContact OD1-NZ 3.35Å; D269-K310 WeakPolarHBondContact OD2-CA 3.39Å; D269-K310 WeakPolarHBondContact OD2-CD 2.89Å; D269-L311 HydrophobicContact CB-CB 3.93Å; D269-L311 WeakPolarHBondContact OD2-CB 3.49Å; D269-L311 PolarHBondContact OD2-N 2.97Å
270	F	92.5	Very high	91	Very high	1 Å²	1	64.6 Å²	64.6	0%	0.004	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.8	-178.9	-72.5	-12	0	0	0	114.1	L244 W262 T268 C272 L292 F304 F306	L244-F270 HydrophobicContact CB-CB 4.25Å; L244-F270 HydrophobicContact CB-CD2 4.47Å; L244-F270 HydrophobicContact CB-CG 4.34Å; L244-F270 HydrophobicContact CD1-CB 4.47Å; L244-F270 HydrophobicContact CD1-CD1 4.22Å; L244-F270 HydrophobicContact CD1-CG 4.39Å; W262-F270 HydrophobicContact CH2-CD2 4.2Å; W262-F270 AromaticContact CH2-CE2 3.87Å; W262-F270 HydrophobicContact CH2-CE2 3.87Å; W262-F270 HydrophobicContact CZ2-CD2 4.27Å; W262-F270 AromaticContact CZ2-CE2 3.56Å; W262-F270 HydrophobicContact CZ2-CE2 3.56Å; W262-F270 HydrophobicContact CZ2-CZ 4.32Å; T268-F270 VanDerWaalsContact C-N 3.34Å; T268-F270 PolarHBondContact OG1-N 2.98Å; F270-C272 PolarHBondContact O-N 2.81Å; F270-L292 HydrophobicContact CE1-CD2 4.02Å; F270-L292 HydrophobicContact CZ-CD2 4.15Å; F270-F304 AromaticContact CD1-CD1 3.86Å; F270-F304 HydrophobicContact CD1-CD1 3.86Å; F270-F304 AromaticContact CD1-CE1 4Å; F270-F304 HydrophobicContact CD1-CE1 4Å; F270-F304 HydrophobicContact CD1-CG 4.26Å; F270-F304 HydrophobicContact CE1-CB 4.07Å; F270-F304 AromaticContact CE1-CD1 3.86Å; F270-F304 HydrophobicContact CE1-CD1 3.86Å; F270-F304 HydrophobicContact CE1-CD2 4.46Å; F270-F304 HydrophobicContact CE1-CE1 4.43Å; F270-F304 AromaticContact CE1-CG 3.88Å; F270-F304 HydrophobicContact CE1-CG 3.88Å; F270-F306 HydrophobicContact CZ-CD2 4.38Å
271	Y	92.2	Very high	91.1	Very high	98 Å²	98	65.1 Å²	65.1	38%	0.384	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.6	171.6	-74.3	-73.5	0	0	0	114.2	M243 K265 D269 L273 L274 A275	M243-Y271 HydrophobicContact CE-CD1 4.41Å; M243-Y271 HydrophobicContact CE-CE1 3.59Å; M243-Y271 HydrophobicContact SD-CD1 3.81Å; M243-Y271 HydrophobicContact SD-CE1 3.6Å; K265-Y271 HydrophobicContact CB-CE2 4.06Å; K265-Y271 HydrophobicContact CD-CE1 4.46Å; K265-Y271 HydrophobicContact CD-CE2 3.91Å; K265-Y271 HydrophobicContact CG-CD2 4.24Å; K265-Y271 HydrophobicContact CG-CE2 3.54Å; D269-Y271 PolarHBondContact O-N 3.45Å; Y271-L273 VanDerWaalsContact C-N 3.26Å; Y271-L273 PolarHBondContact O-N 2.9Å; Y271-L274 HydrophobicContact CD1-CD2 4.15Å; Y271-L274 PolarHBondContact O-N 3.4Å; Y271-A275 WeakPolarHBondContact O-CB 3.4Å; Y271-A275 PolarHBondContact O-N 2.76Å
272	C	92.8	Very high	91.4	Very high	23 Å²	23	57.8 Å²	57.8	16%	0.155	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-28.9	-174.2	63.8	0	0	0	0	114.5	D269 F270 E276 F304	D269-C272 WeakPolarHBondContact O-CB 3.16Å; D269-C272 PolarHBondContact O-N 3.41Å; D269-C272 VanDerWaalsContact O-N 3.14Å; D269-C272 PolarHBondContact O-SG 3.36Å; F270-C272 PolarHBondContact O-N 2.81Å; C272-E276 WeakPolarHBondContact O-CG 3.47Å; C272-E276 PolarHBondContact O-N 3.22Å; C272-F304 WeakPolarHBondContact SG-CZ 3.33Å
273	L	94	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.7	-48.1	177.2	-65.3	173.7	0	0	0	110.9	G242 L244 Y271 A275 E276 K277 T278 A280 V294	G242-L273 WeakPolarHBondContact O-CB 3.32Å; L244-L273 HydrophobicContact CD1-CD1 4.13Å; L244-L273 HydrophobicContact CD2-CD1 3.95Å; L244-L273 HydrophobicContact CG-CD1 4.06Å; Y271-L273 VanDerWaalsContact C-N 3.26Å; Y271-L273 PolarHBondContact O-N 2.9Å; L273-A275 VanDerWaalsContact C-N 3.3Å; L273-A275 PolarHBondContact O-N 3.01Å; L273-E276 CarbonylContact O-C 3.48Å; L273-E276 PolarHBondContact O-N 3.43Å; L273-E276 VanDerWaalsContact O-N 3.15Å; L273-K277 PolarHBondContact O-N 3.07Å; L273-T278 CarbonylContact C-O 3.47Å; L273-T278 HydrophobicContact CB-CG2 4.24Å; L273-T278 HydrophobicContact CD2-CG2 3.8Å; L273-T278 PolarHBondContact O-N 2.74Å; L273-T278 VanDerWaalsContact O-O 3.1Å; L273-A280 HydrophobicContact CD1-CB 3.82Å; L273-V294 HydrophobicContact CD1-CG1 4.08Å
274	L	92.8	Very high	92.4	Very high	75 Å²	75	52.5 Å²	52.5	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-58.4	-42.3	174.9	-174.9	70.8	0	0	0	111.7	D241 M243 Y271 E276 K277	D241-L274 WeakPolarHBondContact O-CD1 3.4Å; M243-L274 HydrophobicContact SD-CD2 3.79Å; Y271-L274 HydrophobicContact CD1-CD2 4.15Å; Y271-L274 PolarHBondContact O-N 3.4Å; L274-E276 VanDerWaalsContact C-N 3.27Å; L274-E276 PolarHBondContact O-N 2.81Å; L274-K277 PolarHBondContact O-N 2.97Å
275	A	92.5	Very high	92.9	Very high	78 Å²	78	46.6 Å²	46.6	65%	0.645	25%	0.247	S	C	*	.	H	α-helix	trans	-59.2	-38.9	177.3	0	0	0	0	0	112.4	Y271 L273 K277	Y271-A275 WeakPolarHBondContact O-CB 3.4Å; Y271-A275 PolarHBondContact O-N 2.76Å; L273-A275 VanDerWaalsContact C-N 3.3Å; L273-A275 PolarHBondContact O-N 3.01Å; A275-K277 VanDerWaalsContact C-N 3.29Å
276	E	92.6	Very high	93.5	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.9	177.1	-66.4	-70.7	144.8	0	0	113.1	C272 L273 L274 T278	C272-E276 WeakPolarHBondContact O-CG 3.47Å; C272-E276 PolarHBondContact O-N 3.22Å; L273-E276 CarbonylContact O-C 3.48Å; L273-E276 PolarHBondContact O-N 3.43Å; L273-E276 VanDerWaalsContact O-N 3.15Å; L274-E276 VanDerWaalsContact C-N 3.27Å; L274-E276 PolarHBondContact O-N 2.81Å; E276-T278 HydrophobicContact CB-CG2 3.98Å; E276-T278 PolarHBondContact O-N 3.25Å
277	K	94	Very high	93.9	Very high	194 Å²	194	44.7 Å²	44.7	84%	0.843	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	42.5	-176.8	-57.2	179.9	-179.5	178.5	0	112.8	L273 L274 A275	L273-K277 PolarHBondContact O-N 3.07Å; L274-K277 PolarHBondContact O-N 2.97Å; A275-K277 VanDerWaalsContact C-N 3.29Å
278	T	94.9	Very high	94.1	Very high	12 Å²	12	43.1 Å²	43.1	7%	0.074	23%	0.231	C	C	.	.			trans	-128.8	167.8	178	-169.7	0	0	0	0	109.6	G242 L273 E276 A297 D298	G242-T278 WeakPolarHBondContact CA-O 3.27Å; L273-T278 CarbonylContact C-O 3.47Å; L273-T278 HydrophobicContact CB-CG2 4.24Å; L273-T278 HydrophobicContact CD2-CG2 3.8Å; L273-T278 PolarHBondContact O-N 2.74Å; L273-T278 VanDerWaalsContact O-O 3.1Å; E276-T278 HydrophobicContact CB-CG2 3.98Å; E276-T278 PolarHBondContact O-N 3.25Å; T278-A297 PolarHBondContact OG1-N 3.41Å; T278-D298 PolarHBondContact OG1-N 3.42Å
279	F	95	Very high	94.1	Very high	48 Å²	48	42.8 Å²	42.8	21%	0.211	23%	0.229	C	C	.	.			trans	-131.3	160	178.5	62.9	-87.9	0	0	0	111.3	V224 S240 F281 G296 A297 H354	V224-F279 HydrophobicContact CG1-CD2 4.48Å; V224-F279 HydrophobicContact CG1-CE2 4.47Å; V224-F279 HydrophobicContact CG2-CD2 4.28Å; S240-F279 WeakPolarHBondContact O-CB 3.44Å; F279-F281 HydrophobicContact CE2-CB 4.45Å; F279-G296 CarbonylContact O-C 3.54Å; F279-G296 WeakPolarHBondContact O-CA 3.47Å; F279-A297 HydrophobicContact CD1-CB 4.19Å; F279-A297 HydrophobicContact CE1-CB 3.9Å; F279-A297 HydrophobicContact CE2-CB 4.28Å; F279-A297 HydrophobicContact CZ-CB 3.96Å; F279-A297 PolarHBondContact O-N 3.16Å; F279-H354 AromaticContact CE2-CE1 3.75Å; F279-H354 AromaticContact CZ-CE1 3.48Å; F279-H354 VanDerWaalsContact CZ-CE1 3.48Å; F279-H354 WeakPolarHBondContact CZ-CE1 3.27Å; F279-H354 AromaticContact CZ-NE2 3.75Å
280	A	95.6	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.1	176.3	0	0	0	0	0	110.2	A238 L244 L273 V283 V294	A238-A280 HydrophobicContact CB-CB 3.88Å; L244-A280 HydrophobicContact CD2-CB 4.28Å; L273-A280 HydrophobicContact CD1-CB 3.82Å; A280-V283 HydrophobicContact CB-CG2 3.87Å; A280-V294 HydrophobicContact CB-CG1 3.52Å
281	F	91.5	Very high	94.4	Very high	27 Å²	27	46.3 Å²	46.3	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-17.1	171	70.2	-95	0	0	0	113.4	V224 F279 L295 G296 A297 H354 C356	V224-F281 HydrophobicContact CG1-CB 4.34Å; F279-F281 HydrophobicContact CE2-CB 4.45Å; F281-L295 HydrophobicContact CE1-CD2 4.12Å; F281-L295 HydrophobicContact CE1-CG 3.74Å; F281-L295 HydrophobicContact CE2-CD2 3.59Å; F281-L295 HydrophobicContact CE2-CG 4.07Å; F281-L295 HydrophobicContact CZ-CD1 4.41Å; F281-L295 HydrophobicContact CZ-CD2 3.3Å; F281-L295 HydrophobicContact CZ-CG 3.46Å; F281-L295 VanDerWaalsContact CZ-CG 3.46Å; F281-L295 PolarHBondContact N-O 2.8Å; F281-L295 VanDerWaalsContact N-O 3.13Å; F281-G296 VanDerWaalsContact CE1-O 3.22Å; F281-G296 WeakPolarHBondContact CE1-O 3.11Å; F281-A297 HydrophobicContact CD1-CB 4.35Å; F281-H354 HydrophobicContact CB-CB 3.94Å; F281-H354 AromaticContact CD1-ND1 3.89Å; F281-H354 HydrophobicContact CD2-CB 4.14Å; F281-H354 WeakPolarHBondContact CD2-O 3.47Å; F281-H354 HydrophobicContact CG-CB 4.21Å; F281-H354 AromaticContact CG-ND1 3.69Å; F281-C356 HydrophobicContact CE2-CB 3.92Å; F281-C356 VanDerWaalsContact CE2-O 3.28Å; F281-C356 WeakPolarHBondContact CE2-O 3.31Å; F281-C356 HydrophobicContact CZ-CB 4.33Å
282	S	94.8	Very high	94.6	Very high	15 Å²	15	41.7 Å²	41.7	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.4	167.9	172.7	0	0	0	0	109.7	L295 C356 L358	S282-L295 PolarHBondContact O-N 3.49Å; S282-C356 WeakPolarHBondContact CB-O 3.24Å; S282-L358 PolarHBondContact OG-N 2.78Å
283	V	96.1	Very high	94.9	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.7	177.1	-179	0	0	0	0	108.6	C225 A227 L236 A238 A280 L292 V294	C225-V283 VanDerWaalsContact SG-CG2 3.51Å; A227-V283 HydrophobicContact CB-CB 4.39Å; A227-V283 HydrophobicContact CB-CG1 4.09Å; L236-V283 HydrophobicContact CD2-CG1 3.78Å; L236-V283 HydrophobicContact CD2-CG2 4.45Å; A238-V283 HydrophobicContact CB-CG2 4.47Å; A280-V283 HydrophobicContact CB-CG2 3.87Å; V283-L292 HydrophobicContact CG1-CD1 3.33Å; V283-L292 HydrophobicContact CG1-CG 4.4Å; V283-V294 HydrophobicContact CG1-CG2 4.23Å; V283-V294 HydrophobicContact CG2-CG1 4.1Å; V283-V294 HydrophobicContact CG2-CG2 4.22Å
284	V	96.5	Very high	95	Very high	33 Å²	33	40.6 Å²	40.6	20%	0.2	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.6	-179	67.9	0	0	0	0	110.6	A293 L358 F360	V284-A293 HydrophobicContact CG1-CB 3.99Å; V284-A293 PolarHBondContact N-O 3.26Å; V284-A293 PolarHBondContact O-N 3Å; V284-L358 HydrophobicContact CG1-CB 3.51Å; V284-L358 HydrophobicContact CG1-CD1 4.39Å; V284-F360 HydrophobicContact CG1-CD2 3.83Å; V284-F360 HydrophobicContact CG1-CE2 3.77Å; V284-F360 HydrophobicContact CG2-CD2 4.27Å
285	F	97	Very high	95.2	Very high	19 Å²	19	37.8 Å²	37.8	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143.9	170.4	-71.7	-76	0	0	0	110.1	A227 F228 N229 L236 L292 F306	A227-F285 HydrophobicContact CB-CD2 3.83Å; A227-F285 HydrophobicContact CB-CE2 3.68Å; F228-F285 WeakPolarHBondContact O-CD2 3.36Å; N229-F285 HydrophobicContact CB-CD1 3.94Å; N229-F285 HydrophobicContact CB-CD2 3.88Å; N229-F285 HydrophobicContact CB-CE1 3.93Å; N229-F285 HydrophobicContact CB-CE2 3.88Å; N229-F285 HydrophobicContact CB-CG 3.91Å; N229-F285 HydrophobicContact CB-CZ 3.91Å; N229-F285 WeakPolarHBondContact ND2-CD1 3.14Å; L236-F285 HydrophobicContact CB-CE2 4.09Å; L236-F285 HydrophobicContact CB-CZ 3.8Å; L236-F285 HydrophobicContact CD1-CZ 4.26Å; F285-L292 HydrophobicContact CD1-CB 4.33Å; F285-L292 HydrophobicContact CD1-CD1 3.94Å; F285-L292 HydrophobicContact CE1-CB 4.2Å; F285-L292 HydrophobicContact CE1-CD1 3.66Å; F285-L292 HydrophobicContact CE1-CG 4.41Å; F285-L292 HydrophobicContact CE2-CD1 4.37Å; F285-L292 HydrophobicContact CG-CD1 4.41Å; F285-L292 HydrophobicContact CZ-CD1 3.9Å; F285-F306 HydrophobicContact CD1-CG 4.45Å; F285-F306 HydrophobicContact CE1-CD1 4.03Å; F285-F306 AromaticContact CE1-CD2 3.51Å; F285-F306 HydrophobicContact CE1-CD2 3.51Å; F285-F306 HydrophobicContact CE1-CE1 4.05Å; F285-F306 AromaticContact CE1-CE2 3.53Å; F285-F306 HydrophobicContact CE1-CE2 3.53Å; F285-F306 AromaticContact CE1-CG 3.76Å; F285-F306 HydrophobicContact CE1-CG 3.76Å; F285-F306 AromaticContact CE1-CZ 3.8Å; F285-F306 HydrophobicContact CE1-CZ 3.8Å; F285-F306 HydrophobicContact CZ-CD2 4.21Å; F285-F306 HydrophobicContact CZ-CE1 4.5Å; F285-F306 AromaticContact CZ-CE2 3.76Å; F285-F306 HydrophobicContact CZ-CE2 3.76Å; F285-F306 AromaticContact CZ-CZ 3.93Å; F285-F306 HydrophobicContact CZ-CZ 3.93Å
286	S	96.3	Very high	95.3	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.028	17%	0.173	C	C	.	.			trans	-62.7	150.2	166.6	66.7	0	0	0	0	110.2	S288 G289 E290 I291	S286-S288 PolarHBondContact O-N 3.08Å; S286-S288 VanDerWaalsContact O-N 3.12Å; S286-S288 PolarHBondContact OG-OG 3.29Å; S286-G289 WeakPolarHBondContact O-CA 3.1Å; S286-G289 PolarHBondContact O-N 2.85Å; S286-G289 PolarHBondContact OG-N 3.08Å; S286-E290 PolarHBondContact OG-N 3.41Å; S286-I291 PolarHBondContact N-O 3.12Å; S286-I291 PolarHBondContact OG-N 3.07Å; S286-I291 VanDerWaalsContact OG-N 3.14Å; S286-I291 PolarHBondContact OG-O 3.32Å
287	P	93.3	Very high	95.3	Very high	71 Å²	71	31.2 Å²	31.2	46%	0.461	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.3	174.4	-31.2	35.8	0	0	0	114.3	G289 F360 D361 S364	P287-G289 PolarHBondContact O-N 3.22Å; P287-F360 HydrophobicContact CG-CB 4.43Å; P287-D361 WeakPolarHBondContact CG-O 3.18Å; P287-S364 VanDerWaalsContact CD-OG 3.26Å; P287-S364 WeakPolarHBondContact CD-OG 3.37Å
288	S	94.1	Very high	95.3	Very high	46 Å²	46	23.8 Å²	23.8	32%	0.322	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.6	172.8	64.9	0	0	0	0	114.6	S286 E290 S364	S286-S288 PolarHBondContact O-N 3.08Å; S286-S288 VanDerWaalsContact O-N 3.12Å; S286-S288 PolarHBondContact OG-OG 3.29Å; S288-E290 PolarHBondContact O-N 3.45Å; S288-S364 PolarHBondContact N-OG 3.01Å; S288-S364 PolarHBondContact OG-OG 3.3Å
289	G	94.1	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	73	-4.9	-175.8	0	0	0	0	0	115.2	N229 Y232 S286 P287	N229-G289 PolarHBondContact ND2-O 3.07Å; Y232-G289 WeakPolarHBondContact CE2-O 3.39Å; S286-G289 WeakPolarHBondContact O-CA 3.1Å; S286-G289 PolarHBondContact O-N 2.85Å; S286-G289 PolarHBondContact OG-N 3.08Å; P287-G289 PolarHBondContact O-N 3.22Å
290	E	94.9	Very high	95.2	Very high	101 Å²	101	24.7 Å²	24.7	47%	0.472	14%	0.135	S	C	.	.	S	Bend	trans	-79.6	-30.2	-174.5	-62.8	-165	159.9	0	0	114	S286 S288 F306	S286-E290 PolarHBondContact OG-N 3.41Å; S288-E290 PolarHBondContact O-N 3.45Å; E290-F306 PolarHBondContact O-N 2.86Å
291	I	96.8	Very high	95.2	Very high	28 Å²	28	24.8 Å²	24.8	14%	0.144	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.6	-175.3	-55.4	176.6	0	0	0	109	S286 L303 F304 I312 F360 I380	S286-I291 PolarHBondContact N-O 3.12Å; S286-I291 PolarHBondContact OG-N 3.07Å; S286-I291 VanDerWaalsContact OG-N 3.14Å; S286-I291 PolarHBondContact OG-O 3.32Å; I291-L303 HydrophobicContact CG2-CB 4.46Å; I291-F304 WeakPolarHBondContact CA-O 3.43Å; I291-I312 HydrophobicContact CG1-CD1 4.47Å; I291-F360 HydrophobicContact CB-CZ 4.29Å; I291-F360 HydrophobicContact CG2-CE1 4.37Å; I291-F360 HydrophobicContact CG2-CZ 3.91Å; I291-I380 HydrophobicContact CD1-CD1 4.48Å; I291-I380 HydrophobicContact CD1-CG2 4.33Å
292	L	97.5	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.2	169.7	172.4	68	0	0	0	108.2	L236 F270 V283 F285 V294 L303 F304 F306	L236-L292 HydrophobicContact CD1-CD1 4.23Å; L236-L292 HydrophobicContact CD1-CD2 3.47Å; L236-L292 VanDerWaalsContact CD1-CD2 3.47Å; L236-L292 HydrophobicContact CD1-CG 4.5Å; F270-L292 HydrophobicContact CE1-CD2 4.02Å; F270-L292 HydrophobicContact CZ-CD2 4.15Å; V283-L292 HydrophobicContact CG1-CD1 3.33Å; V283-L292 HydrophobicContact CG1-CG 4.4Å; F285-L292 HydrophobicContact CD1-CB 4.33Å; F285-L292 HydrophobicContact CD1-CD1 3.94Å; F285-L292 HydrophobicContact CE1-CB 4.2Å; F285-L292 HydrophobicContact CE1-CD1 3.66Å; F285-L292 HydrophobicContact CE1-CG 4.41Å; F285-L292 HydrophobicContact CE2-CD1 4.37Å; F285-L292 HydrophobicContact CG-CD1 4.41Å; F285-L292 HydrophobicContact CZ-CD1 3.9Å; L292-V294 HydrophobicContact CD1-CG2 4.42Å; L292-V294 HydrophobicContact CD2-CG2 4.14Å; L292-V294 HydrophobicContact CG-CG2 3.95Å; L292-L303 CarbonylContact O-C 3.56Å; L292-L303 WeakPolarHBondContact O-CA 3.4Å; L292-F304 HydrophobicContact CB-CB 4.27Å; L292-F304 HydrophobicContact CD2-CD2 4.18Å; L292-F304 HydrophobicContact CG-CD2 4.39Å; L292-F304 PolarHBondContact N-O 2.86Å; L292-F304 PolarHBondContact O-N 3.09Å; L292-F306 HydrophobicContact CB-CB 4.43Å; L292-F306 HydrophobicContact CB-CD2 4.33Å; L292-F306 HydrophobicContact CD2-CD2 4.33Å
293	A	97.8	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131	172.8	0	0	0	0	0	110.3	V284 L303 L358 F360 L367	V284-A293 HydrophobicContact CG1-CB 3.99Å; V284-A293 PolarHBondContact N-O 3.26Å; V284-A293 PolarHBondContact O-N 3Å; A293-L303 HydrophobicContact CB-CD2 3.44Å; A293-L303 VanDerWaalsContact CB-CD2 3.44Å; A293-L358 HydrophobicContact CB-CD1 3.79Å; A293-F360 HydrophobicContact CB-CE2 3.64Å; A293-F360 HydrophobicContact CB-CZ 3.73Å; A293-L367 HydrophobicContact CB-CD1 4.26Å; A293-L367 HydrophobicContact CB-CD2 4.17Å
294	V	97.6	Very high	95.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.2	-177.3	-178.4	0	0	0	0	109.5	L244 L273 A280 V283 L292 I301 R302 F304	L244-V294 HydrophobicContact CD1-CG2 4.33Å; L273-V294 HydrophobicContact CD1-CG1 4.08Å; A280-V294 HydrophobicContact CB-CG1 3.52Å; V283-V294 HydrophobicContact CG1-CG2 4.23Å; V283-V294 HydrophobicContact CG2-CG1 4.1Å; V283-V294 HydrophobicContact CG2-CG2 4.22Å; L292-V294 HydrophobicContact CD1-CG2 4.42Å; L292-V294 HydrophobicContact CD2-CG2 4.14Å; L292-V294 HydrophobicContact CG-CG2 3.95Å; V294-I301 CarbonylContact O-C 3.57Å; V294-I301 WeakPolarHBondContact O-CA 3.16Å; V294-R302 PolarHBondContact N-O 3.3Å; V294-R302 PolarHBondContact O-N 2.84Å; V294-F304 HydrophobicContact CB-CE2 4.22Å; V294-F304 HydrophobicContact CG2-CD2 4.12Å; V294-F304 HydrophobicContact CG2-CE2 3.82Å
295	L	96.5	Very high	95.6	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.089	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115	171.4	179.9	61.7	0	0	0	108.9	F281 S282 I301 C356 L358	F281-L295 HydrophobicContact CE1-CD2 4.12Å; F281-L295 HydrophobicContact CE1-CG 3.74Å; F281-L295 HydrophobicContact CE2-CD2 3.59Å; F281-L295 HydrophobicContact CE2-CG 4.07Å; F281-L295 HydrophobicContact CZ-CD1 4.41Å; F281-L295 HydrophobicContact CZ-CD2 3.3Å; F281-L295 HydrophobicContact CZ-CG 3.46Å; F281-L295 VanDerWaalsContact CZ-CG 3.46Å; F281-L295 PolarHBondContact N-O 2.8Å; F281-L295 VanDerWaalsContact N-O 3.13Å; S282-L295 PolarHBondContact O-N 3.49Å; L295-I301 HydrophobicContact CD1-CD1 4.49Å; L295-I301 HydrophobicContact CD1-CG1 3.64Å; L295-C356 HydrophobicContact CD2-CB 4.14Å; L295-L358 HydrophobicContact CB-CD1 3.81Å; L295-L358 HydrophobicContact CB-CD2 4.2Å; L295-L358 HydrophobicContact CB-CG 3.87Å; L295-L358 HydrophobicContact CD2-CD2 4.32Å; L295-L358 HydrophobicContact CD2-CG 4.47Å
296	G	94.8	Very high	95.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	156.3	178.1	0	0	0	0	0	112.4	F279 F281 D298 R299 K300	F279-G296 CarbonylContact O-C 3.54Å; F279-G296 WeakPolarHBondContact O-CA 3.47Å; F281-G296 VanDerWaalsContact CE1-O 3.22Å; F281-G296 WeakPolarHBondContact CE1-O 3.11Å; G296-D298 VanDerWaalsContact C-OD1 3.29Å; G296-D298 WeakPolarHBondContact CA-OD1 3.27Å; G296-D298 PolarHBondContact O-N 2.62Å; G296-R299 WeakPolarHBondContact O-CA 3.42Å; G296-R299 PolarHBondContact O-N 2.82Å; G296-K300 PolarHBondContact N-O 3.22Å
297	A	93	Very high	95.4	Very high	25 Å²	25	26.1 Å²	26.1	21%	0.207	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.6	175.7	0	0	0	0	0	113.6	T278 F279 F281 R299	T278-A297 PolarHBondContact OG1-N 3.41Å; F279-A297 HydrophobicContact CD1-CB 4.19Å; F279-A297 HydrophobicContact CE1-CB 3.9Å; F279-A297 HydrophobicContact CE2-CB 4.28Å; F279-A297 HydrophobicContact CZ-CB 3.96Å; F279-A297 PolarHBondContact O-N 3.16Å; F281-A297 HydrophobicContact CD1-CB 4.35Å; A297-R299 PolarHBondContact O-N 3.24Å
298	D	92.7	Very high	95.4	Very high	38 Å²	38	24.8 Å²	24.8	20%	0.203	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.9	171.2	64.3	-20.2	0	0	0	113.6	T278 G296 K300 R302	T278-D298 PolarHBondContact OG1-N 3.42Å; G296-D298 VanDerWaalsContact C-OD1 3.29Å; G296-D298 WeakPolarHBondContact CA-OD1 3.27Å; G296-D298 PolarHBondContact O-N 2.62Å; D298-K300 PolarHBondContact O-N 2.83Å; D298-K300 PolarHBondContact OD1-N 2.91Å; D298-K300 WeakPolarHBondContact OD2-CD 3.36Å; D298-K300 WeakPolarHBondContact OD2-CG 3.33Å; D298-R302 IonicContact OD1-CZ 3.25Å; D298-R302 IonicContact OD1-NH1 2.84Å; D298-R302 PolarHBondContact OD1-NH1 3.34Å; D298-R302 VanDerWaalsContact OD1-NH1 3.09Å; D298-R302 IonicContact OD1-NH2 3.88Å; D298-R302 IonicContact OD2-CZ 3.81Å; D298-R302 IonicContact OD2-NH1 3.76Å; D298-R302 PolarHBondContact OD2-NH1 3.04Å; D298-R302 IonicContact OD2-NH2 2.83Å; D298-R302 PolarHBondContact OD2-NH2 3.45Å
299	R	92.8	Very high	95.3	Very high	39 Å²	39	22.6 Å²	22.6	15%	0.147	11%	0.108	C	C	.	.	S	Bend	trans	62.7	21.1	-175.9	-48.7	168.7	-175.4	-118.6	0.3	113.3	G296 A297 E317 E344 D348	G296-R299 WeakPolarHBondContact O-CA 3.42Å; G296-R299 PolarHBondContact O-N 2.82Å; A297-R299 PolarHBondContact O-N 3.24Å; R299-E317 CarbonylContact O-C 3.54Å; R299-E317 WeakPolarHBondContact O-CB 3.5Å; R299-E317 PolarHBondContact O-N 2.83Å; R299-E344 IonicContact CZ-OE2 3.77Å; R299-E344 IonicContact NH1-OE1 2.73Å; R299-E344 IonicContact NH1-OE2 3.97Å; R299-E344 PolarHBondContact NH1-OE2 2.91Å; R299-E344 IonicContact NH2-OE2 3.35Å; R299-D348 IonicContact CZ-OD1 3.6Å; R299-D348 IonicContact CZ-OD2 3.49Å; R299-D348 IonicContact NH2-OD1 3.39Å; R299-D348 PolarHBondContact NH2-OD1 3.44Å; R299-D348 IonicContact NH2-OD2 2.76Å; R299-D348 PolarHBondContact NH2-OD2 2.79Å
300	K	95.3	Very high	95.4	Very high	40 Å²	40	26.7 Å²	26.7	17%	0.174	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.6	170.9	-59.6	-175.2	-172.7	171.9	0	109.7	G296 D298 R302 V314 Y315 D316	G296-K300 PolarHBondContact N-O 3.22Å; D298-K300 PolarHBondContact O-N 2.83Å; D298-K300 PolarHBondContact OD1-N 2.91Å; D298-K300 WeakPolarHBondContact OD2-CD 3.36Å; D298-K300 WeakPolarHBondContact OD2-CG 3.33Å; K300-R302 PolarHBondContact O-NH1 3.35Å; K300-V314 HydrophobicContact CB-CG1 4.22Å; K300-V314 HydrophobicContact CD-CG1 4.36Å; K300-Y315 CarbonylContact C-O 3.58Å; K300-Y315 VanDerWaalsContact CA-O 3.28Å; K300-Y315 WeakPolarHBondContact CA-O 3.47Å; K300-D316 VanDerWaalsContact CE-OD2 3.29Å; K300-D316 WeakPolarHBondContact CE-OD2 3.44Å
301	I	96.6	Very high	95.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.5	175.6	-59.1	166.5	0	0	0	108.1	V294 L295 L303 V314 Y315 L358 L367 Y369	V294-I301 CarbonylContact O-C 3.57Å; V294-I301 WeakPolarHBondContact O-CA 3.16Å; L295-I301 HydrophobicContact CD1-CD1 4.49Å; L295-I301 HydrophobicContact CD1-CG1 3.64Å; I301-L303 HydrophobicContact CG2-CD2 4.19Å; I301-V314 CarbonylContact O-C 3.57Å; I301-V314 VanDerWaalsContact O-CA 3.27Å; I301-V314 WeakPolarHBondContact O-CA 3.44Å; I301-Y315 HydrophobicContact CB-CD2 4.18Å; I301-Y315 HydrophobicContact CG2-CD2 4.2Å; I301-Y315 PolarHBondContact N-O 3.19Å; I301-Y315 PolarHBondContact O-N 3.5Å; I301-L358 HydrophobicContact CD1-CD2 3.93Å; I301-L358 HydrophobicContact CG1-CD2 4.16Å; I301-L358 HydrophobicContact CG2-CD1 4.1Å; I301-L358 HydrophobicContact CG2-CD2 4.47Å; I301-L367 HydrophobicContact CG2-CD2 4Å; I301-Y369 HydrophobicContact CD1-CD1 3.49Å; I301-Y369 VanDerWaalsContact CD1-CD1 3.49Å; I301-Y369 HydrophobicContact CD1-CD2 3.46Å; I301-Y369 VanDerWaalsContact CD1-CD2 3.46Å; I301-Y369 HydrophobicContact CD1-CE1 3.55Å; I301-Y369 HydrophobicContact CD1-CE2 3.53Å; I301-Y369 HydrophobicContact CD1-CG 3.44Å; I301-Y369 VanDerWaalsContact CD1-CG 3.44Å
302	R	97.3	Very high	95.3	Very high	8 Å²	8	25.9 Å²	25.9	3%	0.03	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125	-178.7	-60.9	174	177.3	74	-2.3	109	V294 D298 K300 F304 L311 V314	V294-R302 PolarHBondContact N-O 3.3Å; V294-R302 PolarHBondContact O-N 2.84Å; D298-R302 IonicContact OD1-CZ 3.25Å; D298-R302 IonicContact OD1-NH1 2.84Å; D298-R302 PolarHBondContact OD1-NH1 3.34Å; D298-R302 VanDerWaalsContact OD1-NH1 3.09Å; D298-R302 IonicContact OD1-NH2 3.88Å; D298-R302 IonicContact OD2-CZ 3.81Å; D298-R302 IonicContact OD2-NH1 3.76Å; D298-R302 PolarHBondContact OD2-NH1 3.04Å; D298-R302 IonicContact OD2-NH2 2.83Å; D298-R302 PolarHBondContact OD2-NH2 3.45Å; K300-R302 PolarHBondContact O-NH1 3.35Å; R302-F304 HydrophobicContact CB-CE2 3.61Å; R302-F304 HydrophobicContact CB-CZ 3.88Å; R302-L311 HydrophobicContact CB-CD1 3.95Å; R302-V314 HydrophobicContact CG-CG1 4.3Å; R302-V314 HydrophobicContact CG-CG2 4.23Å
303	L	97.4	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.4	176.9	-59.4	-169.6	0	0	0	109.5	I291 L292 A293 I301 I312 R313 Y315 L367 I380	I291-L303 HydrophobicContact CG2-CB 4.46Å; L292-L303 CarbonylContact O-C 3.56Å; L292-L303 WeakPolarHBondContact O-CA 3.4Å; A293-L303 HydrophobicContact CB-CD2 3.44Å; A293-L303 VanDerWaalsContact CB-CD2 3.44Å; I301-L303 HydrophobicContact CG2-CD2 4.19Å; L303-I312 HydrophobicContact CB-CB 4.41Å; L303-I312 WeakPolarHBondContact O-CA 3.09Å; L303-I312 WeakPolarHBondContact O-CB 3.4Å; L303-I312 PolarHBondContact O-N 3.15Å; L303-R313 HydrophobicContact CB-CB 4.4Å; L303-R313 HydrophobicContact CD1-CB 4.4Å; L303-R313 PolarHBondContact N-O 3.05Å; L303-R313 PolarHBondContact O-N 2.8Å; L303-Y315 HydrophobicContact CD1-CE2 3.72Å; L303-Y315 HydrophobicContact CG-CE2 4.08Å; L303-L367 HydrophobicContact CD2-CD2 3.9Å; L303-I380 HydrophobicContact CD1-CB 4.45Å; L303-I380 HydrophobicContact CD1-CD1 4.38Å; L303-I380 HydrophobicContact CD1-CG1 4.14Å; L303-I380 HydrophobicContact CD1-CG2 3.58Å
304	F	96.7	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.5	176.3	-54.7	-96.1	0	0	0	110.6	D269 F270 C272 I291 L292 V294 R302 F306 K310 L311	D269-F304 HydrophobicContact CB-CE1 4.31Å; F270-F304 AromaticContact CD1-CD1 3.86Å; F270-F304 HydrophobicContact CD1-CD1 3.86Å; F270-F304 AromaticContact CD1-CE1 4Å; F270-F304 HydrophobicContact CD1-CE1 4Å; F270-F304 HydrophobicContact CD1-CG 4.26Å; F270-F304 HydrophobicContact CE1-CB 4.07Å; F270-F304 AromaticContact CE1-CD1 3.86Å; F270-F304 HydrophobicContact CE1-CD1 3.86Å; F270-F304 HydrophobicContact CE1-CD2 4.46Å; F270-F304 HydrophobicContact CE1-CE1 4.43Å; F270-F304 AromaticContact CE1-CG 3.88Å; F270-F304 HydrophobicContact CE1-CG 3.88Å; C272-F304 WeakPolarHBondContact SG-CZ 3.33Å; I291-F304 WeakPolarHBondContact CA-O 3.43Å; L292-F304 HydrophobicContact CB-CB 4.27Å; L292-F304 HydrophobicContact CD2-CD2 4.18Å; L292-F304 HydrophobicContact CG-CD2 4.39Å; L292-F304 PolarHBondContact N-O 2.86Å; L292-F304 PolarHBondContact O-N 3.09Å; V294-F304 HydrophobicContact CB-CE2 4.22Å; V294-F304 HydrophobicContact CG2-CD2 4.12Å; V294-F304 HydrophobicContact CG2-CE2 3.82Å; R302-F304 HydrophobicContact CB-CE2 3.61Å; R302-F304 HydrophobicContact CB-CZ 3.88Å; F304-F306 PolarHBondContact O-N 3.07Å; F304-K310 CarbonylContact C-O 3.33Å; F304-K310 VanDerWaalsContact CA-O 3.28Å; F304-K310 WeakPolarHBondContact CA-O 3.32Å; F304-L311 HydrophobicContact CD1-CB 4.18Å; F304-L311 HydrophobicContact CD1-CD1 4Å; F304-L311 HydrophobicContact CE1-CB 4.14Å; F304-L311 HydrophobicContact CE1-CD1 3.61Å; F304-L311 HydrophobicContact CE1-CG 4.46Å; F304-L311 HydrophobicContact CE2-CD1 4.32Å; F304-L311 HydrophobicContact CG-CD1 4.5Å; F304-L311 HydrophobicContact CZ-CD1 3.79Å
305	R	95.9	Very high	94.8	Very high	125 Å²	125	29.2 Å²	29.2	47%	0.472	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.5	162.4	178.4	170.7	-69.4	-103.7	-7.9	106.6	S307 T308 G309 K310 I312	R305-S307 PolarHBondContact O-N 2.83Å; R305-T308 HydrophobicContact CG-CG2 4.47Å; R305-T308 PolarHBondContact O-N 2.93Å; R305-T308 PolarHBondContact O-OG1 3.18Å; R305-G309 WeakPolarHBondContact O-CA 3.41Å; R305-G309 PolarHBondContact O-N 3.14Å; R305-K310 PolarHBondContact N-O 3.49Å; R305-K310 PolarHBondContact O-N 2.94Å; R305-I312 HydrophobicContact CB-CD1 3.88Å; R305-I312 HydrophobicContact CB-CG1 3.92Å
306	F	95.1	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.7	-42.7	-168.3	-176.2	-117	0	0	0	112.6	N229 Y232 C234 L236 L260 W262 F270 F285 E290 L292 F304 T308 G309	N229-F306 HydrophobicContact CB-CE1 4.39Å; N229-F306 VanDerWaalsContact ND2-CD1 3.27Å; N229-F306 WeakPolarHBondContact ND2-CD1 3.32Å; N229-F306 WeakPolarHBondContact ND2-CE1 3.48Å; Y232-F306 AromaticContact CD2-CD1 3.92Å; Y232-F306 HydrophobicContact CD2-CD1 3.92Å; Y232-F306 HydrophobicContact CD2-CE1 4.18Å; Y232-F306 HydrophobicContact CE2-CD1 4.21Å; Y232-F306 HydrophobicContact CG-CD1 4.28Å; Y232-F306 HydrophobicContact CG-CE1 4.17Å; C234-F306 WeakPolarHBondContact SG-CE1 3.46Å; C234-F306 WeakPolarHBondContact SG-CZ 3.47Å; L236-F306 HydrophobicContact CD1-CE2 4.21Å; L260-F306 HydrophobicContact CD2-CD1 4.04Å; L260-F306 HydrophobicContact CD2-CE1 3.64Å; L260-F306 HydrophobicContact CD2-CZ 4.1Å; W262-F306 PolarHBondContact NE1-O 3.24Å; F270-F306 HydrophobicContact CZ-CD2 4.38Å; F285-F306 HydrophobicContact CD1-CG 4.45Å; F285-F306 HydrophobicContact CE1-CD1 4.03Å; F285-F306 AromaticContact CE1-CD2 3.51Å; F285-F306 HydrophobicContact CE1-CD2 3.51Å; F285-F306 HydrophobicContact CE1-CE1 4.05Å; F285-F306 AromaticContact CE1-CE2 3.53Å; F285-F306 HydrophobicContact CE1-CE2 3.53Å; F285-F306 AromaticContact CE1-CG 3.76Å; F285-F306 HydrophobicContact CE1-CG 3.76Å; F285-F306 AromaticContact CE1-CZ 3.8Å; F285-F306 HydrophobicContact CE1-CZ 3.8Å; F285-F306 HydrophobicContact CZ-CD2 4.21Å; F285-F306 HydrophobicContact CZ-CE1 4.5Å; F285-F306 AromaticContact CZ-CE2 3.76Å; F285-F306 HydrophobicContact CZ-CE2 3.76Å; F285-F306 AromaticContact CZ-CZ 3.93Å; F285-F306 HydrophobicContact CZ-CZ 3.93Å; E290-F306 PolarHBondContact O-N 2.86Å; L292-F306 HydrophobicContact CB-CB 4.43Å; L292-F306 HydrophobicContact CB-CD2 4.33Å; L292-F306 HydrophobicContact CD2-CD2 4.33Å; F304-F306 PolarHBondContact O-N 3.07Å; F306-T308 PolarHBondContact O-N 3.46Å; F306-T308 VanDerWaalsContact O-N 3.11Å; F306-G309 PolarHBondContact O-N 2.91Å
307	S	93	Very high	94.7	Very high	9 Å²	9	30 Å²	30	6%	0.063	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.8	179.3	55.1	0	0	0	0	114.5	K261 R305	K261-S307 VanDerWaalsContact CB-O 3.27Å; K261-S307 WeakPolarHBondContact CB-O 3Å; K261-S307 PolarHBondContact N-O 3.17Å; R305-S307 PolarHBondContact O-N 2.83Å
308	T	93.6	Very high	94.7	Very high	42 Å²	42	29.7 Å²	29.7	26%	0.258	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-110.5	-8.2	179.8	63	0	0	0	0	113.2	K261 R305 F306 K310	K261-T308 HydrophobicContact CD-CG2 4.33Å; R305-T308 HydrophobicContact CG-CG2 4.47Å; R305-T308 PolarHBondContact O-N 2.93Å; R305-T308 PolarHBondContact O-OG1 3.18Å; F306-T308 PolarHBondContact O-N 3.46Å; F306-T308 VanDerWaalsContact O-N 3.11Å; T308-K310 PolarHBondContact O-N 2.83Å; T308-K310 VanDerWaalsContact O-N 3.13Å; T308-K310 PolarHBondContact OG1-N 3.1Å
309	G	93	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	14.9	-172.7	0	0	0	0	0	114.5	T268 D269 R305 F306	T268-G309 WeakPolarHBondContact CB-O 3.38Å; D269-G309 PolarHBondContact N-O 3.07Å; R305-G309 WeakPolarHBondContact O-CA 3.41Å; R305-G309 PolarHBondContact O-N 3.14Å; F306-G309 PolarHBondContact O-N 2.91Å
310	K	95.3	Very high	94.7	Very high	86 Å²	86	34.4 Å²	34.4	37%	0.374	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.3	-175.3	-69.4	-54.9	-164.8	-171.2	0	112	D267 D269 F304 R305 T308 I312	D267-K310 WeakPolarHBondContact O-CE 3.27Å; D267-K310 PolarHBondContact O-NZ 2.91Å; D269-K310 IonicContact OD1-NZ 3.23Å; D269-K310 PolarHBondContact OD1-NZ 3.35Å; D269-K310 WeakPolarHBondContact OD2-CA 3.39Å; D269-K310 WeakPolarHBondContact OD2-CD 2.89Å; F304-K310 CarbonylContact C-O 3.33Å; F304-K310 VanDerWaalsContact CA-O 3.28Å; F304-K310 WeakPolarHBondContact CA-O 3.32Å; R305-K310 PolarHBondContact N-O 3.49Å; R305-K310 PolarHBondContact O-N 2.94Å; T308-K310 PolarHBondContact O-N 2.83Å; T308-K310 VanDerWaalsContact O-N 3.13Å; T308-K310 PolarHBondContact OG1-N 3.1Å; K310-I312 PolarHBondContact O-N 3.3Å
311	L	95.1	Very high	94.6	Very high	57 Å²	57	34.8 Å²	34.8	30%	0.298	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.7	176.9	-172.3	68.2	0	0	0	109.6	D269 R302 F304 V314	D269-L311 HydrophobicContact CB-CB 3.93Å; D269-L311 WeakPolarHBondContact OD2-CB 3.49Å; D269-L311 PolarHBondContact OD2-N 2.97Å; R302-L311 HydrophobicContact CB-CD1 3.95Å; F304-L311 HydrophobicContact CD1-CB 4.18Å; F304-L311 HydrophobicContact CD1-CD1 4Å; F304-L311 HydrophobicContact CE1-CB 4.14Å; F304-L311 HydrophobicContact CE1-CD1 3.61Å; F304-L311 HydrophobicContact CE1-CG 4.46Å; F304-L311 HydrophobicContact CE2-CD1 4.32Å; F304-L311 HydrophobicContact CG-CD1 4.5Å; F304-L311 HydrophobicContact CZ-CD1 3.79Å; L311-V314 HydrophobicContact CD1-CG2 3.99Å; L311-V314 HydrophobicContact CD2-CG2 3.66Å; L311-V314 HydrophobicContact CG-CG2 4.14Å
312	I	94.4	Very high	94.4	Very high	55 Å²	55	34.9 Å²	34.9	28%	0.282	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-53.1	176.5	-52.1	169.8	0	0	0	109.1	M40 I291 L303 R305 K310	M40-I312 WeakPolarHBondContact CE-O 3.18Å; I291-I312 HydrophobicContact CG1-CD1 4.47Å; L303-I312 HydrophobicContact CB-CB 4.41Å; L303-I312 WeakPolarHBondContact O-CA 3.09Å; L303-I312 WeakPolarHBondContact O-CB 3.4Å; L303-I312 PolarHBondContact O-N 3.15Å; R305-I312 HydrophobicContact CB-CD1 3.88Å; R305-I312 HydrophobicContact CB-CG1 3.92Å; K310-I312 PolarHBondContact O-N 3.3Å
313	R	93	Very high	94.2	Very high	61 Å²	61	36.2 Å²	36.2	23%	0.23	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.3	-173.8	-63.4	-171.8	-177.2	-83.7	1.3	113.5	M40 L303 Y315 I380 N383	M40-R313 VanDerWaalsContact CE-CA 3.46Å; M40-R313 HydrophobicContact CE-CB 4.14Å; M40-R313 HydrophobicContact CE-CG 4.11Å; L303-R313 HydrophobicContact CB-CB 4.4Å; L303-R313 HydrophobicContact CD1-CB 4.4Å; L303-R313 PolarHBondContact N-O 3.05Å; L303-R313 PolarHBondContact O-N 2.8Å; R313-Y315 HydrophobicContact CB-CE2 4.49Å; R313-Y315 VanDerWaalsContact CD-OH 3.24Å; R313-Y315 WeakPolarHBondContact CD-OH 3.07Å; R313-I380 PolarHBondContact NE-O 3.3Å; R313-N383 PolarHBondContact NH1-ND2 3.1Å
314	V	95.3	Very high	94	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.3	169.1	-174.5	0	0	0	0	108.9	S37 K300 I301 R302 L311	S37-V314 PolarHBondContact N-O 3.39Å; K300-V314 HydrophobicContact CB-CG1 4.22Å; K300-V314 HydrophobicContact CD-CG1 4.36Å; I301-V314 CarbonylContact O-C 3.57Å; I301-V314 VanDerWaalsContact O-CA 3.27Å; I301-V314 WeakPolarHBondContact O-CA 3.44Å; R302-V314 HydrophobicContact CG-CG1 4.3Å; R302-V314 HydrophobicContact CG-CG2 4.23Å; L311-V314 HydrophobicContact CD1-CG2 3.99Å; L311-V314 HydrophobicContact CD2-CG2 3.66Å; L311-V314 HydrophobicContact CG-CG2 4.14Å
315	Y	95	Very high	93.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.2	170.7	-54.5	-62.5	0	0	0	109.2	P34 K300 I301 L303 R313 I378 N383	P34-Y315 HydrophobicContact CB-CD1 3.62Å; P34-Y315 HydrophobicContact CB-CE1 4.04Å; P34-Y315 HydrophobicContact CB-CG 4.21Å; P34-Y315 HydrophobicContact CG-CD1 4.06Å; P34-Y315 HydrophobicContact CG-CE1 3.95Å; K300-Y315 CarbonylContact C-O 3.58Å; K300-Y315 VanDerWaalsContact CA-O 3.28Å; K300-Y315 WeakPolarHBondContact CA-O 3.47Å; I301-Y315 HydrophobicContact CB-CD2 4.18Å; I301-Y315 HydrophobicContact CG2-CD2 4.2Å; I301-Y315 PolarHBondContact N-O 3.19Å; I301-Y315 PolarHBondContact O-N 3.5Å; L303-Y315 HydrophobicContact CD1-CE2 3.72Å; L303-Y315 HydrophobicContact CG-CE2 4.08Å; R313-Y315 HydrophobicContact CB-CE2 4.49Å; R313-Y315 VanDerWaalsContact CD-OH 3.24Å; R313-Y315 WeakPolarHBondContact CD-OH 3.07Å; Y315-I378 HydrophobicContact CD2-CD1 3.65Å; Y315-I378 HydrophobicContact CE1-CD1 4.24Å; Y315-I378 HydrophobicContact CE2-CD1 3.08Å; Y315-I378 HydrophobicContact CG-CD1 4.41Å; Y315-I378 VanDerWaalsContact CZ-CD1 3.41Å; Y315-N383 WeakPolarHBondContact CE1-OD1 3.44Å; Y315-N383 PolarHBondContact OH-OD1 3.29Å
316	D	94.7	Very high	93.6	Very high	20 Å²	20	36.1 Å²	36.1	11%	0.107	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.6	178	-163.3	-29.2	0	0	0	110.3	L35 K300 S318	L35-D316 PolarHBondContact O-N 3.21Å; L35-D316 VanDerWaalsContact O-N 3.1Å; K300-D316 VanDerWaalsContact CE-OD2 3.29Å; K300-D316 WeakPolarHBondContact CE-OD2 3.44Å; D316-S318 WeakPolarHBondContact OD1-CB 3.33Å; D316-S318 PolarHBondContact OD1-N 2.89Å; D316-S318 PolarHBondContact OD1-OG 2.9Å
317	E	93.5	Very high	93.4	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.061	22%	0.218	C	C	.	.			trans	-110.2	27.5	174.6	-57.6	-68.9	177	0	0	110.8	R299 Y322 Y369 T371 K376	R299-E317 CarbonylContact O-C 3.54Å; R299-E317 WeakPolarHBondContact O-CB 3.5Å; R299-E317 PolarHBondContact O-N 2.83Å; E317-Y322 HydrophobicContact CB-CE2 4.23Å; E317-Y322 WeakPolarHBondContact OE2-CE2 3.48Å; E317-Y322 PolarHBondContact OE2-OH 2.76Å; E317-Y369 HydrophobicContact CG-CE2 3.85Å; E317-Y369 PolarHBondContact OE1-OH 3.33Å; E317-T371 HydrophobicContact CG-CG2 4.35Å; E317-K376 IonicContact OE1-NZ 2.77Å; E317-K376 PolarHBondContact OE1-NZ 2.91Å; E317-K376 IonicContact OE2-NZ 3.9Å; E317-K376 PolarHBondContact OE2-NZ 3.37Å
318	S	93	Very high	93.3	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.133	25%	0.253	C	S	.	.			trans	-66	151.9	177.1	68.9	0	0	0	0	112.3	D316 Q320 Q321 Y322	D316-S318 WeakPolarHBondContact OD1-CB 3.33Å; D316-S318 PolarHBondContact OD1-N 2.89Å; D316-S318 PolarHBondContact OD1-OG 2.9Å; S318-Q320 PolarHBondContact O-N 3.25Å; S318-Q321 PolarHBondContact O-N 2.86Å; S318-Q321 WeakPolarHBondContact OG-CB 3.38Å; S318-Q321 PolarHBondContact OG-N 2.81Å; S318-Y322 WeakPolarHBondContact O-CD2 3.34Å; S318-Y322 PolarHBondContact O-N 2.95Å; S318-Y322 VanDerWaalsContact O-N 3.08Å
319	L	92.7	Very high	93.1	Very high	32 Å²	32	52.6 Å²	52.6	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-30.9	177.6	-63.1	-176.9	0	0	0	112.7	S323 L341 E344	L319-S323 WeakPolarHBondContact O-CB 3.4Å; L319-S323 PolarHBondContact O-N 2.72Å; L319-S323 PolarHBondContact O-OG 3.25Å; L319-L341 HydrophobicContact CB-CD1 4.34Å; L319-L341 HydrophobicContact CD1-CD1 4.22Å; L319-L341 HydrophobicContact CD2-CD1 4.01Å; L319-L341 HydrophobicContact CG-CD1 4.43Å; L319-E344 HydrophobicContact CD1-CB 4.26Å; L319-E344 HydrophobicContact CD2-CB 3.99Å; L319-E344 HydrophobicContact CD2-CG 3.96Å
320	Q	92.7	Very high	92.9	Very high	143 Å²	143	58.9 Å²	58.9	67%	0.668	29%	0.292	S	S	*	.	H	α-helix	trans	-64.3	-46	175.4	-176	174.5	2.4	0	0	110.1	S318 Y322 S323 N324	S318-Q320 PolarHBondContact O-N 3.25Å; Q320-Y322 PolarHBondContact O-N 2.85Å; Q320-S323 WeakPolarHBondContact O-CB 3.32Å; Q320-S323 PolarHBondContact O-N 3.44Å; Q320-S323 VanDerWaalsContact O-N 3.14Å; Q320-N324 VanDerWaalsContact O-CG 3.3Å; Q320-N324 PolarHBondContact O-N 2.94Å
321	Q	92.5	Very high	92.6	Very high	48 Å²	48	56.6 Å²	56.6	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-44.1	178	-173	64	-10.1	0	0	111.8	L35 S318 S323 N324 L325	L35-Q321 HydrophobicContact CD1-CG 4.15Å; S318-Q321 PolarHBondContact O-N 2.86Å; S318-Q321 WeakPolarHBondContact OG-CB 3.38Å; S318-Q321 PolarHBondContact OG-N 2.81Å; Q321-S323 VanDerWaalsContact C-N 3.29Å; Q321-S323 PolarHBondContact O-N 3.46Å; Q321-N324 PolarHBondContact O-N 3.03Å; Q321-L325 HydrophobicContact CG-CD1 4.33Å; Q321-L325 VanDerWaalsContact O-CG 3.27Å; Q321-L325 WeakPolarHBondContact O-CG 3.47Å; Q321-L325 PolarHBondContact O-N 3.14Å
322	Y	93.4	Very high	92.3	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.02	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-37.6	173.9	-82.5	-64.4	0	0	0	113.6	E317 S318 Q320 L325 Q326 L331 T371 L373 K376	E317-Y322 HydrophobicContact CB-CE2 4.23Å; E317-Y322 WeakPolarHBondContact OE2-CE2 3.48Å; E317-Y322 PolarHBondContact OE2-OH 2.76Å; S318-Y322 WeakPolarHBondContact O-CD2 3.34Å; S318-Y322 PolarHBondContact O-N 2.95Å; S318-Y322 VanDerWaalsContact O-N 3.08Å; Q320-Y322 PolarHBondContact O-N 2.85Å; Y322-L325 HydrophobicContact CD1-CD1 4.43Å; Y322-Q326 VanDerWaalsContact O-CB 3.31Å; Y322-Q326 WeakPolarHBondContact O-CB 3.43Å; Y322-Q326 PolarHBondContact O-N 3.16Å; Y322-L331 HydrophobicContact CD1-CD1 4.25Å; Y322-T371 WeakPolarHBondContact OH-CB 3.29Å; Y322-T371 PolarHBondContact OH-OG1 2.95Å; Y322-L373 HydrophobicContact CD1-CD1 4.28Å; Y322-L373 HydrophobicContact CD1-CG 4.39Å; Y322-L373 HydrophobicContact CE1-CD1 3.58Å; Y322-L373 HydrophobicContact CE1-CG 3.74Å; Y322-K376 PolarHBondContact OH-NZ 3.24Å
323	S	93.3	Very high	92.3	Very high	35 Å²	35	56.2 Å²	56.2	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-42.1	177.7	-58.5	0	0	0	0	111.6	L319 Q320 Q321 Q326 Q327	L319-S323 WeakPolarHBondContact O-CB 3.4Å; L319-S323 PolarHBondContact O-N 2.72Å; L319-S323 PolarHBondContact O-OG 3.25Å; Q320-S323 WeakPolarHBondContact O-CB 3.32Å; Q320-S323 PolarHBondContact O-N 3.44Å; Q320-S323 VanDerWaalsContact O-N 3.14Å; Q321-S323 VanDerWaalsContact C-N 3.29Å; Q321-S323 PolarHBondContact O-N 3.46Å; S323-Q326 PolarHBondContact O-N 2.77Å; S323-Q327 WeakPolarHBondContact O-CG 3.29Å; S323-Q327 PolarHBondContact O-N 3.38Å
324	N	93.6	Very high	92.2	Very high	70 Å²	70	57.4 Å²	57.4	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.5	-67.1	-15.9	0	0	0	111.1	Q320 Q321 Q326 Q327 T328	Q320-N324 VanDerWaalsContact O-CG 3.3Å; Q320-N324 PolarHBondContact O-N 2.94Å; Q321-N324 PolarHBondContact O-N 3.03Å; N324-Q326 PolarHBondContact O-N 2.87Å; N324-Q327 WeakPolarHBondContact O-CB 3.42Å; N324-Q327 PolarHBondContact O-N 3.07Å; N324-T328 PolarHBondContact O-N 3.13Å; N324-T328 VanDerWaalsContact O-N 3.1Å; N324-T328 PolarHBondContact O-OG1 3.43Å
325	L	90.8	Very high	92	Very high	28 Å²	28	65.4 Å²	65.4	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-44.6	176.7	-70.7	166.5	0	0	0	112	V32 L35 Q321 Y322 Q327 T328 K329 L331	V32-L325 HydrophobicContact CG1-CD1 4.15Å; V32-L325 HydrophobicContact CG1-CD2 4.36Å; L35-L325 HydrophobicContact CD1-CD1 3.13Å; L35-L325 HydrophobicContact CD1-CD2 3.63Å; L35-L325 HydrophobicContact CD1-CG 3.81Å; L35-L325 HydrophobicContact CD2-CD2 4.22Å; Q321-L325 HydrophobicContact CG-CD1 4.33Å; Q321-L325 VanDerWaalsContact O-CG 3.27Å; Q321-L325 WeakPolarHBondContact O-CG 3.47Å; Q321-L325 PolarHBondContact O-N 3.14Å; Y322-L325 HydrophobicContact CD1-CD1 4.43Å; L325-Q327 PolarHBondContact O-N 3.3Å; L325-T328 PolarHBondContact O-N 3.15Å; L325-T328 VanDerWaalsContact O-N 3.09Å; L325-K329 CarbonylContact O-C 3.53Å; L325-K329 WeakPolarHBondContact O-CA 3.3Å; L325-K329 PolarHBondContact O-N 2.52Å; L325-L331 HydrophobicContact CB-CD1 3.86Å; L325-L331 HydrophobicContact CB-CG 4.47Å; L325-L331 HydrophobicContact CD1-CD1 4.48Å
326	Q	91.6	Very high	91.9	Very high	25 Å²	25	67.6 Å²	67.6	12%	0.117	35%	0.353	C	S	.	.	H	α-helix	trans	-59.7	-31.7	179.3	178.8	66	22.2	0	0	112.2	Y322 S323 N324 L331 L332 F337	Y322-Q326 VanDerWaalsContact O-CB 3.31Å; Y322-Q326 WeakPolarHBondContact O-CB 3.43Å; Y322-Q326 PolarHBondContact O-N 3.16Å; S323-Q326 PolarHBondContact O-N 2.77Å; N324-Q326 PolarHBondContact O-N 2.87Å; Q326-L331 VanDerWaalsContact OE1-CB 3.28Å; Q326-L332 PolarHBondContact NE2-O 2.94Å; Q326-F337 HydrophobicContact CB-CD1 4.47Å; Q326-F337 HydrophobicContact CB-CD2 4.27Å; Q326-F337 HydrophobicContact CB-CE1 4.08Å; Q326-F337 HydrophobicContact CB-CE2 3.87Å; Q326-F337 HydrophobicContact CB-CZ 3.76Å; Q326-F337 HydrophobicContact CG-CD1 3.85Å; Q326-F337 HydrophobicContact CG-CD2 3.97Å; Q326-F337 HydrophobicContact CG-CE1 3.94Å; Q326-F337 HydrophobicContact CG-CE2 4.07Å; Q326-F337 HydrophobicContact CG-CG 3.86Å; Q326-F337 HydrophobicContact CG-CZ 4.05Å
327	Q	91	Very high	91.8	Very high	163 Å²	163	67.5 Å²	67.5	76%	0.762	35%	0.352	S	S	*	.	H	α-helix	trans	-73.1	-41.6	174.5	-68.5	173.6	14.3	0	0	112	S323 N324 L325	S323-Q327 WeakPolarHBondContact O-CG 3.29Å; S323-Q327 PolarHBondContact O-N 3.38Å; N324-Q327 WeakPolarHBondContact O-CB 3.42Å; N324-Q327 PolarHBondContact O-N 3.07Å; L325-Q327 PolarHBondContact O-N 3.3Å
328	T	92.3	Very high	91.8	Very high	129 Å²	129	68.6 Å²	68.6	79%	0.791	37%	0.367	S	S	*	.	H	α-helix	trans	-77.1	-42.6	-177.9	-54.4	0	0	0	0	112.8	N324 L325	N324-T328 PolarHBondContact O-N 3.13Å; N324-T328 VanDerWaalsContact O-N 3.1Å; N324-T328 PolarHBondContact O-OG1 3.43Å; L325-T328 PolarHBondContact O-N 3.15Å; L325-T328 VanDerWaalsContact O-N 3.09Å
329	K	89.3	Confident	91.8	Very high	105 Å²	105	73 Å²	73	46%	0.457	38%	0.381	S	S	.	.	S	Bend	trans	-136.2	111.3	179.8	-179.8	176.3	179.6	175.7	0	107.3	D30 V32 L325 L331	D30-K329 PolarHBondContact O-NZ 2.87Å; D30-K329 VanDerWaalsContact O-NZ 3.17Å; V32-K329 HydrophobicContact CG2-CD 4.03Å; L325-K329 CarbonylContact O-C 3.53Å; L325-K329 WeakPolarHBondContact O-CA 3.3Å; L325-K329 PolarHBondContact O-N 2.52Å; K329-L331 HydrophobicContact CG-CD2 4.42Å; K329-L331 WeakPolarHBondContact O-CD2 3.12Å; K329-L331 WeakPolarHBondContact O-CG 3.3Å; K329-L331 PolarHBondContact O-N 3.32Å
330	Q	88.6	Confident	91.9	Very high	133 Å²	133	72.1 Å²	72.1	62%	0.621	38%	0.375	S	S	*	.			trans	-59	102.9	177.7	-174	175.5	8.6	0	0	110	L332	Q330-L332 WeakPolarHBondContact CG-O 3.42Å
331	L	88.5	Confident	92	Very high	37 Å²	37	66.7 Å²	66.7	19%	0.194	35%	0.351	C	S	.	.			trans	-79.4	-41.4	-176	-53.2	175	0	0	0	110.9	V32 Y322 L325 Q326 K329 L373	V32-L331 HydrophobicContact CB-CD2 4.41Å; V32-L331 HydrophobicContact CG2-CD2 3.52Å; Y322-L331 HydrophobicContact CD1-CD1 4.25Å; L325-L331 HydrophobicContact CB-CD1 3.86Å; L325-L331 HydrophobicContact CB-CG 4.47Å; L325-L331 HydrophobicContact CD1-CD1 4.48Å; Q326-L331 VanDerWaalsContact OE1-CB 3.28Å; K329-L331 HydrophobicContact CG-CD2 4.42Å; K329-L331 WeakPolarHBondContact O-CD2 3.12Å; K329-L331 WeakPolarHBondContact O-CG 3.3Å; K329-L331 PolarHBondContact O-N 3.32Å; L331-L373 HydrophobicContact CD1-CD1 4.22Å
332	L	89.9	Confident	92	Very high	29 Å²	29	67.1 Å²	67.1	15%	0.152	36%	0.363	C	S	.	.	S	Bend	trans	-135.8	160.6	179.1	-69.1	171.5	0	0	0	110.1	Q326 Q330 S334 E336 F337 L373	Q326-L332 PolarHBondContact NE2-O 2.94Å; Q330-L332 WeakPolarHBondContact CG-O 3.42Å; L332-S334 PolarHBondContact O-N 3.24Å; L332-E336 HydrophobicContact CD1-CG 4.45Å; L332-F337 HydrophobicContact CB-CB 4.19Å; L332-L373 HydrophobicContact CD1-CD2 3.51Å; L332-L373 HydrophobicContact CG-CD2 3.98Å
333	P	92.8	Very high	92	Very high	75 Å²	75	69 Å²	69	49%	0.487	37%	0.371	S	S	.	.			trans	-54.4	137	166.6	-24	34.5	0	0	0	110.8	M335 E336 F337	P333-M335 PolarHBondContact O-N 3.32Å; P333-M335 VanDerWaalsContact O-N 3.1Å; P333-E336 HydrophobicContact CB-CB 4.49Å; P333-E336 PolarHBondContact O-N 2.99Å; P333-F337 PolarHBondContact O-N 3.19Å
334	S	91.6	Very high	92	Very high	86 Å²	86	67.4 Å²	67.4	60%	0.601	36%	0.36	S	S	*	.	H	α-helix	trans	-56.5	-35.5	-169.9	-52.3	0	0	0	0	114	L332 G338	L332-S334 PolarHBondContact O-N 3.24Å; S334-G338 PolarHBondContact O-N 2.91Å
335	M	91.1	Very high	92	Very high	177 Å²	177	69.2 Å²	69.2	87%	0.872	37%	0.365	S	S	*	.	H	α-helix	trans	-65.3	-43.4	176.1	-173.9	-178	-177.8	0	0	111.9	P333 R339	P333-M335 PolarHBondContact O-N 3.32Å; P333-M335 VanDerWaalsContact O-N 3.1Å; M335-R339 PolarHBondContact O-N 3.37Å
336	E	92.2	Very high	92.2	Very high	47 Å²	47	72 Å²	72	22%	0.22	38%	0.377	C	S	.	.	H	α-helix	trans	-69.6	-43.6	178.4	177	159.9	-158.9	0	0	111.5	L332 P333 G338 R339 R340	L332-E336 HydrophobicContact CD1-CG 4.45Å; P333-E336 HydrophobicContact CB-CB 4.49Å; P333-E336 PolarHBondContact O-N 2.99Å; E336-G338 VanDerWaalsContact C-N 3.32Å; E336-G338 PolarHBondContact O-N 3.25Å; E336-R339 WeakPolarHBondContact O-CB 3.29Å; E336-R339 PolarHBondContact O-N 2.63Å; E336-R339 IonicContact OE1-NH2 3.44Å; E336-R339 PolarHBondContact OE1-NH2 3.32Å; E336-R340 HydrophobicContact CG-CG 4.49Å; E336-R340 WeakPolarHBondContact O-CG 3.24Å; E336-R340 PolarHBondContact O-N 3.08Å; E336-R340 IonicContact OE1-CZ 3.69Å; E336-R340 IonicContact OE1-NE 3.99Å; E336-R340 PolarHBondContact OE1-NE 3.47Å; E336-R340 IonicContact OE1-NH2 3.12Å; E336-R340 PolarHBondContact OE1-NH2 2.78Å
337	F	93.3	Very high	92.2	Very high	18 Å²	18	71 Å²	71	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-57.3	-46.4	174.4	-174	-94.9	0	0	0	111.3	Q326 L332 P333 R339 R340 L341 L372	Q326-F337 HydrophobicContact CB-CD1 4.47Å; Q326-F337 HydrophobicContact CB-CD2 4.27Å; Q326-F337 HydrophobicContact CB-CE1 4.08Å; Q326-F337 HydrophobicContact CB-CE2 3.87Å; Q326-F337 HydrophobicContact CB-CZ 3.76Å; Q326-F337 HydrophobicContact CG-CD1 3.85Å; Q326-F337 HydrophobicContact CG-CD2 3.97Å; Q326-F337 HydrophobicContact CG-CE1 3.94Å; Q326-F337 HydrophobicContact CG-CE2 4.07Å; Q326-F337 HydrophobicContact CG-CG 3.86Å; Q326-F337 HydrophobicContact CG-CZ 4.05Å; L332-F337 HydrophobicContact CB-CB 4.19Å; P333-F337 PolarHBondContact O-N 3.19Å; F337-R339 VanDerWaalsContact C-N 3.33Å; F337-R339 PolarHBondContact O-N 3.35Å; F337-R340 PolarHBondContact O-N 3.39Å; F337-L341 HydrophobicContact CE1-CD2 4.35Å; F337-L341 WeakPolarHBondContact O-CB 3.4Å; F337-L341 PolarHBondContact O-N 2.78Å; F337-L372 HydrophobicContact CD2-CD2 4.26Å; F337-L372 HydrophobicContact CE2-CD2 3.97Å
338	G	93.5	Very high	92.2	Very high	37 Å²	37	65.9 Å²	65.9	38%	0.381	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-41.3	176.3	0	0	0	0	0	112.9	S334 E336 L341 A342	S334-G338 PolarHBondContact O-N 2.91Å; E336-G338 VanDerWaalsContact C-N 3.32Å; E336-G338 PolarHBondContact O-N 3.25Å; G338-L341 PolarHBondContact O-N 2.94Å; G338-A342 PolarHBondContact O-N 2.77Å
339	R	94	Very high	92.2	Very high	112 Å²	112	70.1 Å²	70.1	42%	0.423	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-47.9	175.2	-175.3	-176.3	66.9	-158.9	-7.3	111.9	M335 E336 F337 L341 A342 Q343 N394	M335-R339 PolarHBondContact O-N 3.37Å; E336-R339 WeakPolarHBondContact O-CB 3.29Å; E336-R339 PolarHBondContact O-N 2.63Å; E336-R339 IonicContact OE1-NH2 3.44Å; E336-R339 PolarHBondContact OE1-NH2 3.32Å; F337-R339 VanDerWaalsContact C-N 3.33Å; F337-R339 PolarHBondContact O-N 3.35Å; R339-L341 VanDerWaalsContact C-N 3.35Å; R339-L341 PolarHBondContact O-N 3.13Å; R339-A342 WeakPolarHBondContact O-CB 3.48Å; R339-A342 PolarHBondContact O-N 3.07Å; R339-Q343 PolarHBondContact O-N 2.8Å; R339-N394 PolarHBondContact NE-OD1 2.83Å; R339-N394 PolarHBondContact NH1-ND2 2.79Å; R339-N394 PolarHBondContact NH2-OD1 2.84Å
340	R	94.1	Very high	92.2	Very high	12 Å²	12	66.4 Å²	66.4	5%	0.045	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-38.5	179.4	-62.4	-168.9	-168.9	-156.5	0.7	111.8	E336 F337 A342 Q343 E344 L372 G391 E393	E336-R340 HydrophobicContact CG-CG 4.49Å; E336-R340 WeakPolarHBondContact O-CG 3.24Å; E336-R340 PolarHBondContact O-N 3.08Å; E336-R340 IonicContact OE1-CZ 3.69Å; E336-R340 IonicContact OE1-NE 3.99Å; E336-R340 PolarHBondContact OE1-NE 3.47Å; E336-R340 IonicContact OE1-NH2 3.12Å; E336-R340 PolarHBondContact OE1-NH2 2.78Å; F337-R340 PolarHBondContact O-N 3.39Å; R340-A342 VanDerWaalsContact C-N 3.33Å; R340-A342 PolarHBondContact O-N 2.8Å; R340-Q343 WeakPolarHBondContact O-CB 3.48Å; R340-Q343 PolarHBondContact O-N 2.91Å; R340-E344 PolarHBondContact O-N 3.48Å; R340-L372 HydrophobicContact CB-CD1 3.93Å; R340-L372 HydrophobicContact CB-CD2 4.43Å; R340-L372 HydrophobicContact CB-CG 3.89Å; R340-L372 VanDerWaalsContact CD-O 3.25Å; R340-L372 WeakPolarHBondContact CD-O 3.5Å; R340-L372 PolarHBondContact NH1-O 3.46Å; R340-G391 PolarHBondContact NH1-O 2.86Å; R340-G391 VanDerWaalsContact NH1-O 3.13Å; R340-G391 PolarHBondContact NH2-O 2.84Å; R340-E393 PolarHBondContact NH2-O 2.89Å
341	L	93.7	Very high	92	Very high	30 Å²	30	68.4 Å²	68.4	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-36.8	175	-172.6	66.3	0	0	0	112.2	L319 F337 G338 R339 E344 K345 L372	L319-L341 HydrophobicContact CB-CD1 4.34Å; L319-L341 HydrophobicContact CD1-CD1 4.22Å; L319-L341 HydrophobicContact CD2-CD1 4.01Å; L319-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CE1-CD2 4.35Å; F337-L341 WeakPolarHBondContact O-CB 3.4Å; F337-L341 PolarHBondContact O-N 2.78Å; G338-L341 PolarHBondContact O-N 2.94Å; R339-L341 VanDerWaalsContact C-N 3.35Å; R339-L341 PolarHBondContact O-N 3.13Å; L341-E344 PolarHBondContact O-N 2.94Å; L341-K345 WeakPolarHBondContact O-CG 3.25Å; L341-K345 PolarHBondContact O-N 2.97Å; L341-K345 VanDerWaalsContact O-N 3.14Å; L341-L372 HydrophobicContact CB-CD1 4.42Å; L341-L372 HydrophobicContact CD1-CD1 4.47Å
342	A	93.9	Very high	91.8	Very high	57 Å²	57	68 Å²	68	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-41.1	173.2	0	0	0	0	0	111.7	G338 R339 R340 E344 K345 E346	G338-A342 PolarHBondContact O-N 2.77Å; R339-A342 WeakPolarHBondContact O-CB 3.48Å; R339-A342 PolarHBondContact O-N 3.07Å; R340-A342 VanDerWaalsContact C-N 3.33Å; R340-A342 PolarHBondContact O-N 2.8Å; A342-E344 VanDerWaalsContact C-N 3.33Å; A342-E344 PolarHBondContact O-N 2.89Å; A342-K345 PolarHBondContact O-N 3.43Å; A342-E346 PolarHBondContact O-N 3.33Å
343	Q	93.7	Very high	91.5	Very high	43 Å²	43	70.3 Å²	70.3	20%	0.201	35%	0.354	C	S	.	.	H	α-helix	trans	-63.2	-37.1	175.8	-166.9	174.2	23.5	0	0	112.3	R339 R340 E346 L347 R396 F463	R339-Q343 PolarHBondContact O-N 2.8Å; R340-Q343 WeakPolarHBondContact O-CB 3.48Å; R340-Q343 PolarHBondContact O-N 2.91Å; Q343-E346 WeakPolarHBondContact O-CB 3.46Å; Q343-E346 PolarHBondContact O-N 3.15Å; Q343-L347 PolarHBondContact O-N 3.01Å; Q343-R396 HydrophobicContact CG-CB 4.15Å; Q343-F463 HydrophobicContact CG-CD1 4.04Å
344	E	93.2	Very high	91	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-41	173.4	-72.5	-67.4	179.6	0	0	113	R299 L319 R340 L341 A342 E346 L347 D348 L372 R396	R299-E344 IonicContact CZ-OE2 3.77Å; R299-E344 IonicContact NH1-OE1 2.73Å; R299-E344 IonicContact NH1-OE2 3.97Å; R299-E344 PolarHBondContact NH1-OE2 2.91Å; R299-E344 IonicContact NH2-OE2 3.35Å; L319-E344 HydrophobicContact CD1-CB 4.26Å; L319-E344 HydrophobicContact CD2-CB 3.99Å; L319-E344 HydrophobicContact CD2-CG 3.96Å; R340-E344 PolarHBondContact O-N 3.48Å; L341-E344 PolarHBondContact O-N 2.94Å; A342-E344 VanDerWaalsContact C-N 3.33Å; A342-E344 PolarHBondContact O-N 2.89Å; E344-E346 PolarHBondContact O-N 2.87Å; E344-L347 WeakPolarHBondContact O-CB 3.23Å; E344-L347 PolarHBondContact O-N 2.93Å; E344-D348 PolarHBondContact O-N 3.26Å; E344-L372 HydrophobicContact CG-CB 4.23Å; E344-L372 HydrophobicContact CG-CD1 3.7Å; E344-L372 HydrophobicContact CG-CG 4.43Å; E344-R396 IonicContact OE1-CZ 3.55Å; E344-R396 VanDerWaalsContact OE1-CZ 3.23Å; E344-R396 IonicContact OE1-NE 2.76Å; E344-R396 PolarHBondContact OE1-NE 2.8Å; E344-R396 IonicContact OE1-NH2 3.48Å; E344-R396 PolarHBondContact OE1-NH2 2.77Å; E344-R396 IonicContact OE2-CZ 3.88Å; E344-R396 IonicContact OE2-NE 3.54Å; E344-R396 IonicContact OE2-NH2 3.29Å; E344-R396 PolarHBondContact OE2-NH2 3.34Å
345	K	92.7	Very high	90.9	Very high	108 Å²	108	67 Å²	67	47%	0.47	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-30.8	175.1	-70.7	177.6	-179.2	-179.8	0	112.1	L341 A342 R349	L341-K345 WeakPolarHBondContact O-CG 3.25Å; L341-K345 PolarHBondContact O-N 2.97Å; L341-K345 VanDerWaalsContact O-N 3.14Å; A342-K345 PolarHBondContact O-N 3.43Å; K345-R349 WeakPolarHBondContact O-CG 3.49Å
346	E	94.4	Very high	91	Very high	86 Å²	86	59 Å²	59	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-71.7	-42.5	173.7	-170.2	-178.5	-179.4	0	0	111.4	A342 Q343 E344 D348 R349 S350 F463 K464	A342-E346 PolarHBondContact O-N 3.33Å; Q343-E346 WeakPolarHBondContact O-CB 3.46Å; Q343-E346 PolarHBondContact O-N 3.15Å; E344-E346 PolarHBondContact O-N 2.87Å; E346-D348 VanDerWaalsContact C-N 3.31Å; E346-D348 PolarHBondContact O-N 2.93Å; E346-R349 PolarHBondContact O-N 2.82Å; E346-R349 VanDerWaalsContact O-N 3.15Å; E346-S350 PolarHBondContact O-N 2.85Å; E346-F463 HydrophobicContact CB-CE1 4.28Å; E346-F463 HydrophobicContact CG-CE1 4.03Å; E346-F463 HydrophobicContact CG-CZ 4.25Å; E346-K464 IonicContact OE1-NZ 3.04Å; E346-K464 PolarHBondContact OE1-NZ 2.51Å
347	L	92.9	Very high	91.2	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-56.6	-45.2	173.1	178.1	63.5	0	0	0	111.1	Q343 E344 R349 S350 F352 I398 F463	Q343-L347 PolarHBondContact O-N 3.01Å; E344-L347 WeakPolarHBondContact O-CB 3.23Å; E344-L347 PolarHBondContact O-N 2.93Å; L347-R349 PolarHBondContact O-N 2.87Å; L347-S350 PolarHBondContact O-N 2.98Å; L347-S350 PolarHBondContact O-OG 3.31Å; L347-F352 HydrophobicContact CD1-CB 3.87Å; L347-F352 WeakPolarHBondContact CD1-O 3.47Å; L347-I398 HydrophobicContact CD1-CD1 4Å; L347-F463 HydrophobicContact CB-CE1 4.4Å; L347-F463 HydrophobicContact CB-CE2 4.41Å; L347-F463 HydrophobicContact CB-CZ 4.27Å; L347-F463 HydrophobicContact CD1-CD2 3.54Å; L347-F463 HydrophobicContact CD1-CE2 3.6Å; L347-F463 HydrophobicContact CD1-CG 4.19Å; L347-F463 HydrophobicContact CD1-CZ 4.29Å
348	D	90.9	Very high	91.3	Very high	57 Å²	57	57.1 Å²	57.1	31%	0.305	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.8	178.3	-78.1	-22.4	0	0	0	114.5	R299 E344 E346 K353	R299-D348 IonicContact CZ-OD1 3.6Å; R299-D348 IonicContact CZ-OD2 3.49Å; R299-D348 IonicContact NH2-OD1 3.39Å; R299-D348 PolarHBondContact NH2-OD1 3.44Å; R299-D348 IonicContact NH2-OD2 2.76Å; R299-D348 PolarHBondContact NH2-OD2 2.79Å; E344-D348 PolarHBondContact O-N 3.26Å; E346-D348 VanDerWaalsContact C-N 3.31Å; E346-D348 PolarHBondContact O-N 2.93Å; D348-K353 WeakPolarHBondContact O-CD 3.45Å
349	R	91.1	Very high	91.4	Very high	218 Å²	218	56.5 Å²	56.5	82%	0.823	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.8	177.9	-67	173.7	-174	168.5	0.6	112.8	K345 E346 L347	K345-R349 WeakPolarHBondContact O-CG 3.49Å; E346-R349 PolarHBondContact O-N 2.82Å; E346-R349 VanDerWaalsContact O-N 3.15Å; L347-R349 PolarHBondContact O-N 2.87Å
350	S	90.9	Very high	91.5	Very high	26 Å²	26	51.8 Å²	51.8	18%	0.182	25%	0.249	C	C	.	.	S	Bend	trans	-93.4	161.9	-177.4	76.6	0	0	0	0	111.4	E346 L347 F352 K353 F463	E346-S350 PolarHBondContact O-N 2.85Å; L347-S350 PolarHBondContact O-N 2.98Å; L347-S350 PolarHBondContact O-OG 3.31Å; S350-F352 PolarHBondContact O-N 3.26Å; S350-F352 VanDerWaalsContact O-N 3.14Å; S350-F352 PolarHBondContact OG-N 3.19Å; S350-K353 WeakPolarHBondContact O-CB 3.47Å; S350-K353 PolarHBondContact O-N 2.77Å; S350-K353 VanDerWaalsContact O-N 3.17Å; S350-F463 WeakPolarHBondContact OG-CE2 3.37Å
351	E	84.3	Confident	91.5	Very high	176 Å²	176	51.6 Å²	51.6	82%	0.822	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-61.1	-19.7	171.9	-61.7	174.3	175.3	0	0	112.4	K353	E351-K353 VanDerWaalsContact C-N 3.29Å; E351-K353 PolarHBondContact O-N 3.35Å
352	F	83.6	Confident	91.2	Very high	29 Å²	29	53.5 Å²	53.5	13%	0.127	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-82.1	1.9	178.8	-60.4	-75.1	0	0	0	114	V88 T90 L347 S350 H354 S355 F463	V88-F352 HydrophobicContact CB-CZ 4.3Å; V88-F352 HydrophobicContact CG1-CE1 3.96Å; V88-F352 HydrophobicContact CG1-CE2 4.39Å; V88-F352 HydrophobicContact CG1-CZ 3.73Å; T90-F352 HydrophobicContact CG2-CE1 4.23Å; L347-F352 HydrophobicContact CD1-CB 3.87Å; L347-F352 WeakPolarHBondContact CD1-O 3.47Å; S350-F352 PolarHBondContact O-N 3.26Å; S350-F352 VanDerWaalsContact O-N 3.14Å; S350-F352 PolarHBondContact OG-N 3.19Å; F352-H354 PolarHBondContact O-N 2.88Å; F352-S355 WeakPolarHBondContact CA-OG 3.45Å; F352-S355 WeakPolarHBondContact CB-OG 3.38Å; F352-S355 WeakPolarHBondContact O-CB 3.42Å; F352-S355 PolarHBondContact O-N 2.85Å; F352-S355 PolarHBondContact O-OG 2.81Å; F352-F463 HydrophobicContact CB-CD2 4.22Å; F352-F463 HydrophobicContact CB-CE2 4.03Å; F352-F463 HydrophobicContact CD2-CD2 4.42Å; F352-F463 AromaticContact CD2-CE2 3.97Å; F352-F463 HydrophobicContact CD2-CE2 3.97Å; F352-F463 HydrophobicContact CG-CE2 4.36Å
353	K	83.7	Confident	91.1	Very high	76 Å²	76	51.9 Å²	51.9	33%	0.33	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-49.2	-35.3	-178.9	-179.3	-177.5	-176	-175.5	0	113.4	D348 S350 E351	D348-K353 WeakPolarHBondContact O-CD 3.45Å; S350-K353 WeakPolarHBondContact O-CB 3.47Å; S350-K353 PolarHBondContact O-N 2.77Å; S350-K353 VanDerWaalsContact O-N 3.17Å; E351-K353 VanDerWaalsContact C-N 3.29Å; E351-K353 PolarHBondContact O-N 3.35Å
354	H	83.2	Confident	91	Very high	74 Å²	74	50.3 Å²	50.3	34%	0.343	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-102.7	14.7	-175.6	-61.4	-52.3	0	0	0	113.8	F279 F281 F352	F279-H354 AromaticContact CE2-CE1 3.75Å; F279-H354 AromaticContact CZ-CE1 3.48Å; F279-H354 VanDerWaalsContact CZ-CE1 3.48Å; F279-H354 WeakPolarHBondContact CZ-CE1 3.27Å; F279-H354 AromaticContact CZ-NE2 3.75Å; F281-H354 HydrophobicContact CB-CB 3.94Å; F281-H354 AromaticContact CD1-ND1 3.89Å; F281-H354 HydrophobicContact CD2-CB 4.14Å; F281-H354 WeakPolarHBondContact CD2-O 3.47Å; F281-H354 HydrophobicContact CG-CB 4.21Å; F281-H354 AromaticContact CG-ND1 3.69Å; F352-H354 PolarHBondContact O-N 2.88Å
355	S	88.4	Confident	91	Very high	17 Å²	17	51.4 Å²	51.4	12%	0.119	25%	0.25	C	C	.	.			trans	-91.4	-2	-175.4	58.6	0	0	0	0	114.1	F352 I398 Q399	F352-S355 WeakPolarHBondContact CA-OG 3.45Å; F352-S355 WeakPolarHBondContact CB-OG 3.38Å; F352-S355 WeakPolarHBondContact O-CB 3.42Å; F352-S355 PolarHBondContact O-N 2.85Å; F352-S355 PolarHBondContact O-OG 2.81Å; S355-I398 WeakPolarHBondContact O-CG2 3.48Å; S355-I398 VanDerWaalsContact OG-CG2 3.3Å; S355-I398 WeakPolarHBondContact OG-CG2 3.47Å; S355-Q399 WeakPolarHBondContact O-CG 3.36Å; S355-Q399 PolarHBondContact O-NE2 2.89Å
356	C	93.4	Very high	91.2	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.061	23%	0.227	C	C	.	.			trans	-71.7	140.8	172.9	-65	0	0	0	0	111.5	F281 S282 L295	F281-C356 HydrophobicContact CE2-CB 3.92Å; F281-C356 VanDerWaalsContact CE2-O 3.28Å; F281-C356 WeakPolarHBondContact CE2-O 3.31Å; F281-C356 HydrophobicContact CZ-CB 4.33Å; S282-C356 WeakPolarHBondContact CB-O 3.24Å; L295-C356 HydrophobicContact CD2-CB 4.14Å
357	N	95.4	Very high	91.3	Very high	22 Å²	22	42.2 Å²	42.2	12%	0.118	21%	0.208	C	C	.	.			trans	-118.4	168.2	175.9	73.1	-20.5	0	0	0	112.7	Q399 L400	N357-Q399 VanDerWaalsContact CG-OE1 3.31Å; N357-Q399 PolarHBondContact ND2-OE1 2.59Å; N357-Q399 VanDerWaalsContact ND2-OE1 3.1Å; N357-Q399 WeakPolarHBondContact OD1-CA 3.44Å; N357-L400 PolarHBondContact ND2-O 2.86Å; N357-L400 PolarHBondContact OD1-N 3.02Å
358	L	96.5	Very high	91.5	Very high	5 Å²	5	42 Å²	42	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.9	170.2	-65.4	-177.6	0	0	0	108.6	S282 V284 A293 L295 I301 L367 Y369	S282-L358 PolarHBondContact OG-N 2.78Å; V284-L358 HydrophobicContact CG1-CB 3.51Å; V284-L358 HydrophobicContact CG1-CD1 4.39Å; A293-L358 HydrophobicContact CB-CD1 3.79Å; L295-L358 HydrophobicContact CB-CD1 3.81Å; L295-L358 HydrophobicContact CB-CD2 4.2Å; L295-L358 HydrophobicContact CB-CG 3.87Å; L295-L358 HydrophobicContact CD2-CD2 4.32Å; L295-L358 HydrophobicContact CD2-CG 4.47Å; I301-L358 HydrophobicContact CD1-CD2 3.93Å; I301-L358 HydrophobicContact CG1-CD2 4.16Å; I301-L358 HydrophobicContact CG2-CD1 4.1Å; I301-L358 HydrophobicContact CG2-CD2 4.47Å; L358-L367 HydrophobicContact CB-CD1 4.25Å; L358-Y369 HydrophobicContact CD2-CD1 4.38Å; L358-Y369 HydrophobicContact CD2-CG 4.18Å
359	V	96.1	Very high	91.7	Very high	23 Å²	23	39.6 Å²	39.6	14%	0.139	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.7	179.5	-164.9	0	0	0	0	110.5	A368 L400 F402	V359-A368 PolarHBondContact N-O 2.85Å; V359-A368 PolarHBondContact O-N 3.07Å; V359-L400 HydrophobicContact CG2-CB 3.8Å; V359-L400 VanDerWaalsContact CG2-O 3.27Å; V359-L400 WeakPolarHBondContact CG2-O 3.35Å; V359-F402 HydrophobicContact CB-CD2 4.23Å; V359-F402 HydrophobicContact CG1-CD2 3.72Å; V359-F402 HydrophobicContact CG1-CE2 4.5Å
360	F	95.7	Very high	91.9	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	148.8	170.2	-78.1	-85.8	0	0	0	111.1	V284 P287 I291 A293 F366 L367 I380	V284-F360 HydrophobicContact CG1-CD2 3.83Å; V284-F360 HydrophobicContact CG1-CE2 3.77Å; V284-F360 HydrophobicContact CG2-CD2 4.27Å; P287-F360 HydrophobicContact CG-CB 4.43Å; I291-F360 HydrophobicContact CB-CZ 4.29Å; I291-F360 HydrophobicContact CG2-CE1 4.37Å; I291-F360 HydrophobicContact CG2-CZ 3.91Å; A293-F360 HydrophobicContact CB-CE2 3.64Å; A293-F360 HydrophobicContact CB-CZ 3.73Å; F360-F366 WeakPolarHBondContact CA-O 3.47Å; F360-L367 HydrophobicContact CD1-CD1 4.14Å; F360-L367 HydrophobicContact CD2-CD1 3.99Å; F360-L367 HydrophobicContact CE1-CD1 4.15Å; F360-L367 HydrophobicContact CE2-CD1 3.99Å; F360-L367 HydrophobicContact CG-CD1 4.08Å; F360-L367 HydrophobicContact CZ-CD1 4.06Å; F360-I380 HydrophobicContact CD1-CD1 4.08Å; F360-I380 HydrophobicContact CE1-CD1 3.39Å; F360-I380 HydrophobicContact CZ-CD1 4.35Å
361	D	93.1	Very high	92.1	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.043	15%	0.153	C	C	.	.			trans	-71.9	166.2	163.8	86.1	-67.8	0	0	0	110.8	P287 S363 S364 N365 F366 F402	P287-D361 WeakPolarHBondContact CG-O 3.18Å; D361-S363 VanDerWaalsContact CG-OG 3.3Å; D361-S363 PolarHBondContact O-N 2.96Å; D361-S363 VanDerWaalsContact O-N 3.15Å; D361-S363 PolarHBondContact OD1-OG 2.76Å; D361-S363 WeakPolarHBondContact OD2-CA 3.31Å; D361-S363 WeakPolarHBondContact OD2-CB 3.45Å; D361-S363 PolarHBondContact OD2-N 2.97Å; D361-S363 PolarHBondContact OD2-OG 3.16Å; D361-S364 PolarHBondContact O-N 3.22Å; D361-S364 VanDerWaalsContact O-N 3.07Å; D361-S364 PolarHBondContact OD1-N 3.17Å; D361-N365 PolarHBondContact OD1-N 3.21Å; D361-N365 VanDerWaalsContact OD1-N 3.07Å; D361-F366 HydrophobicContact CB-CB 4.16Å; D361-F366 PolarHBondContact N-O 3.16Å; D361-F366 WeakPolarHBondContact OD1-CA 3.46Å; D361-F366 WeakPolarHBondContact OD1-CB 3.42Å; D361-F366 PolarHBondContact OD1-N 3.47Å; D361-F402 HydrophobicContact CB-CE2 4.33Å; D361-F402 HydrophobicContact CB-CZ 4.43Å
362	S	89.1	Confident	92.4	Very high	70 Å²	70	20.9 Å²	20.9	49%	0.49	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.8	-178.6	54.8	0	0	0	0	113.9
363	S	90.4	Very high	92.9	Very high	23 Å²	23	20.4 Å²	20.4	16%	0.161	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.3	178.5	78.6	0	0	0	0	114.6	Y69 D361 N365	Y69-S363 VanDerWaalsContact CD1-CB 3.4Å; Y69-S363 WeakPolarHBondContact CD1-OG 3.42Å; D361-S363 VanDerWaalsContact CG-OG 3.3Å; D361-S363 PolarHBondContact O-N 2.96Å; D361-S363 VanDerWaalsContact O-N 3.15Å; D361-S363 PolarHBondContact OD1-OG 2.76Å; D361-S363 WeakPolarHBondContact OD2-CA 3.31Å; D361-S363 WeakPolarHBondContact OD2-CB 3.45Å; D361-S363 PolarHBondContact OD2-N 2.97Å; D361-S363 PolarHBondContact OD2-OG 3.16Å; S363-N365 WeakPolarHBondContact CB-ND2 3.1Å; S363-N365 PolarHBondContact O-N 3.35Å; S363-N365 WeakPolarHBondContact OG-CB 3.37Å; S363-N365 PolarHBondContact OG-N 3.27Å; S363-N365 PolarHBondContact OG-ND2 3.28Å
364	S	93	Very high	93.4	Very high	10 Å²	10	16.9 Å²	16.9	7%	0.07	10%	0.1	C	C	.	.	S	Bend	trans	66	4.9	-174.3	-52.7	0	0	0	0	115.7	P287 S288 D361	P287-S364 VanDerWaalsContact CD-OG 3.26Å; P287-S364 WeakPolarHBondContact CD-OG 3.37Å; S288-S364 PolarHBondContact N-OG 3.01Å; S288-S364 PolarHBondContact OG-OG 3.3Å; D361-S364 PolarHBondContact O-N 3.22Å; D361-S364 VanDerWaalsContact O-N 3.07Å; D361-S364 PolarHBondContact OD1-N 3.17Å
365	N	92.8	Very high	94	Very high	26 Å²	26	13.4 Å²	13.4	14%	0.139	8%	0.084	C	C	.	.	S	Bend	trans	-87.7	-26.2	-177.2	-67.1	-50.3	0	0	0	112.7	L63 D361 S363 I380 I381	L63-N365 HydrophobicContact CD2-CB 3.85Å; D361-N365 PolarHBondContact OD1-N 3.21Å; D361-N365 VanDerWaalsContact OD1-N 3.07Å; S363-N365 WeakPolarHBondContact CB-ND2 3.1Å; S363-N365 PolarHBondContact O-N 3.35Å; S363-N365 WeakPolarHBondContact OG-CB 3.37Å; S363-N365 PolarHBondContact OG-N 3.27Å; S363-N365 PolarHBondContact OG-ND2 3.28Å; N365-I380 WeakPolarHBondContact O-CG1 3.23Å; N365-I380 PolarHBondContact O-N 2.87Å; N365-I381 WeakPolarHBondContact OD1-CD1 3.49Å
366	F	95.4	Very high	94.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.4	-175.8	-53.5	-88.8	0	0	0	111.4	L63 E66 Y69 L70 I73 F360 D361 I377 I378 N379 V386	L63-F366 HydrophobicContact CD2-CE2 4.14Å; L63-F366 HydrophobicContact CD2-CZ 3.93Å; E66-F366 HydrophobicContact CG-CZ 4.27Å; Y69-F366 VanDerWaalsContact CB-CE2 3.48Å; Y69-F366 HydrophobicContact CG-CE2 4.31Å; L70-F366 HydrophobicContact CD2-CE1 3.72Å; L70-F366 HydrophobicContact CD2-CZ 3.9Å; L70-F366 HydrophobicContact CG-CE1 4.45Å; L70-F366 HydrophobicContact CG-CZ 4.22Å; I73-F366 HydrophobicContact CD1-CB 3.87Å; I73-F366 HydrophobicContact CD1-CD1 3.79Å; I73-F366 HydrophobicContact CD1-CD2 3.65Å; I73-F366 HydrophobicContact CD1-CE1 4.21Å; I73-F366 HydrophobicContact CD1-CE2 4.13Å; I73-F366 HydrophobicContact CD1-CG 3.46Å; I73-F366 VanDerWaalsContact CD1-CG 3.46Å; I73-F366 HydrophobicContact CD1-CZ 4.37Å; F360-F366 WeakPolarHBondContact CA-O 3.47Å; D361-F366 HydrophobicContact CB-CB 4.16Å; D361-F366 PolarHBondContact N-O 3.16Å; D361-F366 WeakPolarHBondContact OD1-CA 3.46Å; D361-F366 WeakPolarHBondContact OD1-CB 3.42Å; D361-F366 PolarHBondContact OD1-N 3.47Å; F366-I377 HydrophobicContact CB-CG2 4.05Å; F366-I378 CarbonylContact C-O 3.55Å; F366-I378 WeakPolarHBondContact CA-O 3.47Å; F366-N379 HydrophobicContact CD1-CB 3.92Å; F366-N379 HydrophobicContact CE1-CB 3.74Å; F366-V386 HydrophobicContact CD1-CG2 3.69Å; F366-V386 HydrophobicContact CE1-CB 4.46Å; F366-V386 HydrophobicContact CE1-CG1 4.06Å; F366-V386 HydrophobicContact CE1-CG2 3.87Å
367	L	96.7	Very high	94.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.2	174.3	-177.8	69.1	0	0	0	108.9	A293 I301 L303 L358 F360 Y369 I377 I378 I380	A293-L367 HydrophobicContact CB-CD1 4.26Å; A293-L367 HydrophobicContact CB-CD2 4.17Å; I301-L367 HydrophobicContact CG2-CD2 4Å; L303-L367 HydrophobicContact CD2-CD2 3.9Å; L358-L367 HydrophobicContact CB-CD1 4.25Å; F360-L367 HydrophobicContact CD1-CD1 4.14Å; F360-L367 HydrophobicContact CD2-CD1 3.99Å; F360-L367 HydrophobicContact CE1-CD1 4.15Å; F360-L367 HydrophobicContact CE2-CD1 3.99Å; F360-L367 HydrophobicContact CG-CD1 4.08Å; F360-L367 HydrophobicContact CZ-CD1 4.06Å; L367-Y369 HydrophobicContact CD2-CD1 4.33Å; L367-Y369 HydrophobicContact CG-CD1 4.19Å; L367-I377 WeakPolarHBondContact O-CA 3.4Å; L367-I378 HydrophobicContact CB-CD1 4.19Å; L367-I378 HydrophobicContact CB-CG1 3.78Å; L367-I378 HydrophobicContact CD2-CD1 4.25Å; L367-I378 PolarHBondContact N-O 3.37Å; L367-I378 WeakPolarHBondContact O-CG1 3.29Å; L367-I378 PolarHBondContact O-N 2.72Å; L367-I380 HydrophobicContact CB-CD1 4.07Å; L367-I380 HydrophobicContact CB-CG1 4.23Å
368	A	96.8	Very high	94.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140	174.7	0	0	0	0	0	110.9	V359 K376 I377 L400 F402	V359-A368 PolarHBondContact N-O 2.85Å; V359-A368 PolarHBondContact O-N 3.07Å; A368-K376 WeakPolarHBondContact CA-O 3.16Å; A368-I377 HydrophobicContact CB-CG1 4.05Å; A368-L400 HydrophobicContact CB-CD1 4.32Å; A368-F402 HydrophobicContact CB-CE2 3.52Å; A368-F402 HydrophobicContact CB-CZ 3.78Å
369	Y	96.5	Very high	94.4	Very high	5 Å²	5	11 Å²	11	2%	0.02	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	151.7	176	54.3	-90.2	0	0	0	111.4	I301 E317 L358 L367 T371 I375 K376 I378	I301-Y369 HydrophobicContact CD1-CD1 3.49Å; I301-Y369 VanDerWaalsContact CD1-CD1 3.49Å; I301-Y369 HydrophobicContact CD1-CD2 3.46Å; I301-Y369 VanDerWaalsContact CD1-CD2 3.46Å; I301-Y369 HydrophobicContact CD1-CE1 3.55Å; I301-Y369 HydrophobicContact CD1-CE2 3.53Å; I301-Y369 HydrophobicContact CD1-CG 3.44Å; I301-Y369 VanDerWaalsContact CD1-CG 3.44Å; E317-Y369 HydrophobicContact CG-CE2 3.85Å; E317-Y369 PolarHBondContact OE1-OH 3.33Å; L358-Y369 HydrophobicContact CD2-CD1 4.38Å; L358-Y369 HydrophobicContact CD2-CG 4.18Å; L367-Y369 HydrophobicContact CD2-CD1 4.33Å; L367-Y369 HydrophobicContact CG-CD1 4.19Å; Y369-T371 HydrophobicContact CD2-CG2 3.54Å; Y369-T371 HydrophobicContact CE2-CG2 3.54Å; Y369-I375 WeakPolarHBondContact O-CA 3.46Å; Y369-K376 HydrophobicContact CD2-CB 4.44Å; Y369-K376 HydrophobicContact CE2-CB 3.93Å; Y369-K376 HydrophobicContact CE2-CD 4.03Å; Y369-K376 PolarHBondContact N-O 2.75Å; Y369-K376 PolarHBondContact O-N 2.72Å; Y369-I378 HydrophobicContact CE1-CD1 3.89Å; Y369-I378 HydrophobicContact CE1-CG1 3.98Å; Y369-I378 HydrophobicContact CE1-CG2 3.95Å; Y369-I378 WeakPolarHBondContact OH-CG2 3.42Å
370	A	95.4	Very high	94.3	Very high	11 Å²	11	10.4 Å²	10.4	9%	0.091	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.8	-179.3	0	0	0	0	0	111.5	R396 F397 L400	A370-R396 PolarHBondContact O-NH1 2.76Å; A370-F397 HydrophobicContact CB-CB 4.01Å; A370-F397 WeakPolarHBondContact CB-O 3.32Å; A370-L400 HydrophobicContact CB-CD1 4.43Å; A370-L400 HydrophobicContact CB-CD2 4.43Å
371	T	93.9	Very high	94	Very high	8 Å²	8	12.5 Å²	12.5	5%	0.049	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	178.2	-178.6	70	0	0	0	0	111.3	E317 Y322 Y369 L373 G374 K376	E317-T371 HydrophobicContact CG-CG2 4.35Å; Y322-T371 WeakPolarHBondContact OH-CB 3.29Å; Y322-T371 PolarHBondContact OH-OG1 2.95Å; Y369-T371 HydrophobicContact CD2-CG2 3.54Å; Y369-T371 HydrophobicContact CE2-CG2 3.54Å; T371-L373 PolarHBondContact O-N 3.29Å; T371-L373 PolarHBondContact OG1-N 3.04Å; T371-G374 WeakPolarHBondContact CA-O 3.47Å; T371-G374 PolarHBondContact N-O 3.26Å; T371-G374 PolarHBondContact O-N 2.52Å; T371-G374 PolarHBondContact OG1-O 3.35Å; T371-K376 HydrophobicContact CG2-CD 3.99Å; T371-K376 HydrophobicContact CG2-CG 4.24Å
372	L	92.2	Very high	93.9	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.042	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.8	172	172.6	138.6	0	0	0	112.8	F337 R340 L341 E344	F337-L372 HydrophobicContact CD2-CD2 4.26Å; F337-L372 HydrophobicContact CE2-CD2 3.97Å; R340-L372 HydrophobicContact CB-CD1 3.93Å; R340-L372 HydrophobicContact CB-CD2 4.43Å; R340-L372 HydrophobicContact CB-CG 3.89Å; R340-L372 VanDerWaalsContact CD-O 3.25Å; R340-L372 WeakPolarHBondContact CD-O 3.5Å; R340-L372 PolarHBondContact NH1-O 3.46Å; L341-L372 HydrophobicContact CB-CD1 4.42Å; L341-L372 HydrophobicContact CD1-CD1 4.47Å; E344-L372 HydrophobicContact CG-CB 4.23Å; E344-L372 HydrophobicContact CG-CD1 3.7Å; E344-L372 HydrophobicContact CG-CG 4.43Å
373	L	92.2	Very high	93.9	Very high	20 Å²	20	10.5 Å²	10.5	11%	0.105	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.9	-178.9	-63	-178.3	0	0	0	114.1	Y322 L331 L332 T371 G391	Y322-L373 HydrophobicContact CD1-CD1 4.28Å; Y322-L373 HydrophobicContact CD1-CG 4.39Å; Y322-L373 HydrophobicContact CE1-CD1 3.58Å; Y322-L373 HydrophobicContact CE1-CG 3.74Å; L331-L373 HydrophobicContact CD1-CD1 4.22Å; L332-L373 HydrophobicContact CD1-CD2 3.51Å; L332-L373 HydrophobicContact CG-CD2 3.98Å; T371-L373 PolarHBondContact O-N 3.29Å; T371-L373 PolarHBondContact OG1-N 3.04Å; L373-G391 VanDerWaalsContact O-CA 3.25Å; L373-G391 WeakPolarHBondContact O-CA 3.31Å
374	G	94.3	Very high	94	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.9	-157.4	-172.3	0	0	0	0	0	112.1	T371 L389	T371-G374 WeakPolarHBondContact CA-O 3.47Å; T371-G374 PolarHBondContact N-O 3.26Å; T371-G374 PolarHBondContact O-N 2.52Å; T371-G374 PolarHBondContact OG1-O 3.35Å; G374-L389 CarbonylContact C-O 3.47Å
375	I	96.6	Very high	94	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.3	-176	-56.9	166	0	0	0	108.6	Y369 N388 L389 F397 L400 I458 C460 F471	Y369-I375 WeakPolarHBondContact O-CA 3.46Å; I375-N388 CarbonylContact O-C 3.59Å; I375-N388 WeakPolarHBondContact O-CA 3.15Å; I375-N388 PolarHBondContact O-OD1 2.87Å; I375-L389 HydrophobicContact CB-CB 4.26Å; I375-L389 PolarHBondContact N-O 2.93Å; I375-L389 PolarHBondContact O-N 3.22Å; I375-F397 HydrophobicContact CD1-CB 4.25Å; I375-F397 HydrophobicContact CD1-CD1 4.46Å; I375-F397 HydrophobicContact CD1-CD2 4.12Å; I375-F397 HydrophobicContact CD1-CG 4Å; I375-F397 HydrophobicContact CG1-CB 4.05Å; I375-F397 HydrophobicContact CG1-CD2 3.96Å; I375-F397 HydrophobicContact CG1-CG 4.08Å; I375-L400 HydrophobicContact CD1-CD2 3.64Å; I375-L400 HydrophobicContact CG1-CD2 3.88Å; I375-L400 HydrophobicContact CG2-CD1 3.74Å; I375-L400 HydrophobicContact CG2-CD2 4.27Å; I375-I458 HydrophobicContact CD1-CG2 4.42Å; I375-C460 HydrophobicContact CD1-CB 4.03Å; I375-F471 HydrophobicContact CD1-CD2 4.18Å; I375-F471 HydrophobicContact CD1-CE2 3.94Å
376	K	96	Very high	94	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.017	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.8	174.9	-70.6	-177.6	178.4	172.4	0	109.5	E317 Y322 A368 Y369 T371 V385	E317-K376 IonicContact OE1-NZ 2.77Å; E317-K376 PolarHBondContact OE1-NZ 2.91Å; E317-K376 IonicContact OE2-NZ 3.9Å; E317-K376 PolarHBondContact OE2-NZ 3.37Å; Y322-K376 PolarHBondContact OH-NZ 3.24Å; A368-K376 WeakPolarHBondContact CA-O 3.16Å; Y369-K376 HydrophobicContact CD2-CB 4.44Å; Y369-K376 HydrophobicContact CE2-CB 3.93Å; Y369-K376 HydrophobicContact CE2-CD 4.03Å; Y369-K376 PolarHBondContact N-O 2.75Å; Y369-K376 PolarHBondContact O-N 2.72Å; T371-K376 HydrophobicContact CG2-CD 3.99Å; T371-K376 HydrophobicContact CG2-CG 4.24Å; K376-V385 HydrophobicContact CD-CG2 4.3Å
377	I	96.3	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.9	169.9	-49.9	-178.2	0	0	0	107.3	I73 F366 L367 A368 V385 V386 R387 L389 F402 I458	I73-I377 HydrophobicContact CD1-CG2 4.09Å; I73-I377 HydrophobicContact CG2-CD1 3.36Å; I73-I377 HydrophobicContact CG2-CG2 4.27Å; F366-I377 HydrophobicContact CB-CG2 4.05Å; L367-I377 WeakPolarHBondContact O-CA 3.4Å; A368-I377 HydrophobicContact CB-CG1 4.05Å; I377-V385 CarbonylContact O-C 3.59Å; I377-V385 WeakPolarHBondContact O-CA 3.18Å; I377-V386 HydrophobicContact CB-CG2 4.17Å; I377-V386 HydrophobicContact CG2-CG2 3.9Å; I377-V386 VanDerWaalsContact O-CG2 3.28Å; I377-V386 WeakPolarHBondContact O-CG2 3.25Å; I377-V386 PolarHBondContact O-N 3.07Å; I377-R387 HydrophobicContact CB-CB 4.1Å; I377-R387 HydrophobicContact CD1-CB 3.99Å; I377-R387 HydrophobicContact CG1-CB 4.2Å; I377-R387 PolarHBondContact N-O 2.76Å; I377-R387 PolarHBondContact O-N 3.32Å; I377-L389 HydrophobicContact CD1-CD1 3.91Å; I377-L389 HydrophobicContact CD1-CG 4.34Å; I377-F402 HydrophobicContact CD1-CZ 4.33Å; I377-I458 HydrophobicContact CD1-CD1 3.39Å; I377-I458 HydrophobicContact CG1-CD1 4.39Å
378	I	95.8	Very high	93.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.6	-175.3	64.4	166.3	0	0	0	110.5	P34 Y315 F366 L367 Y369 R384 V385	P34-I378 HydrophobicContact CB-CG2 4.05Å; P34-I378 HydrophobicContact CG-CB 4.46Å; P34-I378 HydrophobicContact CG-CG2 3.81Å; Y315-I378 HydrophobicContact CD2-CD1 3.65Å; Y315-I378 HydrophobicContact CE1-CD1 4.24Å; Y315-I378 HydrophobicContact CE2-CD1 3.08Å; Y315-I378 HydrophobicContact CG-CD1 4.41Å; Y315-I378 VanDerWaalsContact CZ-CD1 3.41Å; F366-I378 CarbonylContact C-O 3.55Å; F366-I378 WeakPolarHBondContact CA-O 3.47Å; L367-I378 HydrophobicContact CB-CD1 4.19Å; L367-I378 HydrophobicContact CB-CG1 3.78Å; L367-I378 HydrophobicContact CD2-CD1 4.25Å; L367-I378 PolarHBondContact N-O 3.37Å; L367-I378 WeakPolarHBondContact O-CG1 3.29Å; L367-I378 PolarHBondContact O-N 2.72Å; Y369-I378 HydrophobicContact CE1-CD1 3.89Å; Y369-I378 HydrophobicContact CE1-CG1 3.98Å; Y369-I378 HydrophobicContact CE1-CG2 3.95Å; Y369-I378 WeakPolarHBondContact OH-CG2 3.42Å; I378-R384 CarbonylContact C-O 3.58Å; I378-R384 VanDerWaalsContact CA-O 3.29Å; I378-R384 WeakPolarHBondContact CA-O 3.42Å; I378-V385 HydrophobicContact CG2-CG2 3.81Å
379	N	94.7	Very high	93.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116.5	163.7	-178.8	-29.3	0	0	0	108.4	E66 F366 I381 S382 N383 R384 V386	E66-N379 PolarHBondContact OE1-ND2 3.49Å; F366-N379 HydrophobicContact CD1-CB 3.92Å; F366-N379 HydrophobicContact CE1-CB 3.74Å; N379-I381 VanDerWaalsContact C-N 3.31Å; N379-I381 PolarHBondContact O-N 2.89Å; N379-I381 WeakPolarHBondContact OD1-CB 3.39Å; N379-I381 PolarHBondContact OD1-N 2.79Å; N379-S382 VanDerWaalsContact CB-OG 3.3Å; N379-S382 WeakPolarHBondContact CB-OG 3.09Å; N379-S382 PolarHBondContact ND2-OG 3.31Å; N379-S382 PolarHBondContact OD1-N 3.4Å; N379-N383 VanDerWaalsContact O-CA 3.23Å; N379-N383 WeakPolarHBondContact O-CA 3.39Å; N379-N383 PolarHBondContact O-N 3.33Å; N379-R384 PolarHBondContact N-O 3.06Å; N379-R384 PolarHBondContact O-N 3.45Å; N379-V386 HydrophobicContact CB-CG1 3.72Å
380	I	92.8	Very high	93.5	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.051	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.3	-174.4	-59.2	168.2	0	0	0	111.4	I291 L303 R313 F360 N365 L367	I291-I380 HydrophobicContact CD1-CD1 4.48Å; I291-I380 HydrophobicContact CD1-CG2 4.33Å; L303-I380 HydrophobicContact CD1-CB 4.45Å; L303-I380 HydrophobicContact CD1-CD1 4.38Å; L303-I380 HydrophobicContact CD1-CG1 4.14Å; L303-I380 HydrophobicContact CD1-CG2 3.58Å; R313-I380 PolarHBondContact NE-O 3.3Å; F360-I380 HydrophobicContact CD1-CD1 4.08Å; F360-I380 HydrophobicContact CE1-CD1 3.39Å; F360-I380 HydrophobicContact CZ-CD1 4.35Å; N365-I380 WeakPolarHBondContact O-CG1 3.23Å; N365-I380 PolarHBondContact O-N 2.87Å; L367-I380 HydrophobicContact CB-CD1 4.07Å; L367-I380 HydrophobicContact CB-CG1 4.23Å
381	I	90.5	Very high	93.3	Very high	57 Å²	57	20.1 Å²	20.1	29%	0.292	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-52.2	-177.7	-66.3	163.2	0	0	0	110.1	K61 L63 N365 N379 N383	K61-I381 HydrophobicContact CB-CG2 4.14Å; L63-I381 HydrophobicContact CB-CD1 4.45Å; L63-I381 HydrophobicContact CB-CG2 4.45Å; L63-I381 HydrophobicContact CD1-CD1 3.66Å; L63-I381 HydrophobicContact CG-CD1 4.47Å; N365-I381 WeakPolarHBondContact OD1-CD1 3.49Å; N379-I381 VanDerWaalsContact C-N 3.31Å; N379-I381 PolarHBondContact O-N 2.89Å; N379-I381 WeakPolarHBondContact OD1-CB 3.39Å; N379-I381 PolarHBondContact OD1-N 2.79Å; I381-N383 VanDerWaalsContact C-N 3.32Å
382	S	89.7	Confident	93.1	Very high	5 Å²	5	22 Å²	22	4%	0.035	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12	-177.5	75.5	0	0	0	0	114	R60 K61 N379	R60-S382 PolarHBondContact NE-O 2.83Å; R60-S382 VanDerWaalsContact NE-O 3.11Å; R60-S382 PolarHBondContact NH2-O 3.05Å; K61-S382 WeakPolarHBondContact O-CA 3.47Å; N379-S382 VanDerWaalsContact CB-OG 3.3Å; N379-S382 WeakPolarHBondContact CB-OG 3.09Å; N379-S382 PolarHBondContact ND2-OG 3.31Å; N379-S382 PolarHBondContact OD1-N 3.4Å
383	N	90.7	Very high	93	Very high	31 Å²	31	22.3 Å²	22.3	17%	0.166	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	54.2	-177.2	-167.8	33.4	0	0	0	111.8	R60 R313 Y315 N379 I381	R60-N383 PolarHBondContact NH2-O 2.91Å; R60-N383 VanDerWaalsContact NH2-O 3.13Å; R313-N383 PolarHBondContact NH1-ND2 3.1Å; Y315-N383 WeakPolarHBondContact CE1-OD1 3.44Å; Y315-N383 PolarHBondContact OH-OD1 3.29Å; N379-N383 VanDerWaalsContact O-CA 3.23Å; N379-N383 WeakPolarHBondContact O-CA 3.39Å; N379-N383 PolarHBondContact O-N 3.33Å; I381-N383 VanDerWaalsContact C-N 3.32Å
384	R	91.7	Very high	92.9	Very high	108 Å²	108	25 Å²	25	41%	0.408	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.1	178.2	-69.3	-172	-166.9	-141	7.4	109.9	R60 I378 N379 V386	R60-R384 VanDerWaalsContact CZ-CZ 3.5Å; R60-R384 VanDerWaalsContact NH1-NH2 3.1Å; I378-R384 CarbonylContact C-O 3.58Å; I378-R384 VanDerWaalsContact CA-O 3.29Å; I378-R384 WeakPolarHBondContact CA-O 3.42Å; N379-R384 PolarHBondContact N-O 3.06Å; N379-R384 PolarHBondContact O-N 3.45Å; R384-V386 PolarHBondContact O-N 3.21Å
385	V	92.6	Very high	92.9	Very high	23 Å²	23	26 Å²	26	14%	0.139	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.6	159.7	169.2	0	0	0	0	106.4	P34 K376 I377 I378 R387	P34-V385 HydrophobicContact CB-CG2 4.28Å; P34-V385 HydrophobicContact CG-CG2 4.02Å; K376-V385 HydrophobicContact CD-CG2 4.3Å; I377-V385 CarbonylContact O-C 3.59Å; I377-V385 WeakPolarHBondContact O-CA 3.18Å; I378-V385 HydrophobicContact CG2-CG2 3.81Å; V385-R387 WeakPolarHBondContact CG1-O 3.32Å
386	V	93	Very high	92.8	Very high	24 Å²	24	26.9 Å²	26.9	15%	0.145	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-28.5	179.7	-67.1	0	0	0	0	112.3	E66 L70 F366 I377 N379 R384	E66-V386 WeakPolarHBondContact OE1-CG1 3.2Å; L70-V386 HydrophobicContact CD2-CB 3.9Å; L70-V386 HydrophobicContact CD2-CG1 4.33Å; L70-V386 HydrophobicContact CD2-CG2 3.91Å; F366-V386 HydrophobicContact CD1-CG2 3.69Å; F366-V386 HydrophobicContact CE1-CB 4.46Å; F366-V386 HydrophobicContact CE1-CG1 4.06Å; F366-V386 HydrophobicContact CE1-CG2 3.87Å; I377-V386 HydrophobicContact CB-CG2 4.17Å; I377-V386 HydrophobicContact CG2-CG2 3.9Å; I377-V386 VanDerWaalsContact O-CG2 3.28Å; I377-V386 WeakPolarHBondContact O-CG2 3.25Å; I377-V386 PolarHBondContact O-N 3.07Å; N379-V386 HydrophobicContact CB-CG1 3.72Å; R384-V386 PolarHBondContact O-N 3.21Å
387	R	93.8	Very high	92.8	Very high	64 Å²	64	26.8 Å²	26.8	24%	0.242	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.9	175.8	-60.2	-69	-179.4	-100.5	3.4	109.9	I73 I377 V385 L389	I73-R387 HydrophobicContact CG2-CG 4.03Å; I377-R387 HydrophobicContact CB-CB 4.1Å; I377-R387 HydrophobicContact CD1-CB 3.99Å; I377-R387 HydrophobicContact CG1-CB 4.2Å; I377-R387 PolarHBondContact N-O 2.76Å; I377-R387 PolarHBondContact O-N 3.32Å; V385-R387 WeakPolarHBondContact CG1-O 3.32Å; R387-L389 HydrophobicContact CB-CD2 4.11Å
388	N	93.6	Very high	92.7	Very high	42 Å²	42	27.1 Å²	27.1	23%	0.225	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	105.8	168.4	-173.5	14.5	0	0	0	108.2	T31 I375	T31-N388 HydrophobicContact CG2-CB 4.37Å; I375-N388 CarbonylContact O-C 3.59Å; I375-N388 WeakPolarHBondContact O-CA 3.15Å; I375-N388 PolarHBondContact O-OD1 2.87Å
389	L	95.4	Very high	92.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.5	-174.7	-44.6	177.7	0	0	0	110.2	P74 A76 G374 I375 I377 R387 G391 I458 F471	P74-L389 HydrophobicContact CB-CD1 4.06Å; A76-L389 VanDerWaalsContact O-CD2 3.31Å; A76-L389 WeakPolarHBondContact O-CD2 3.48Å; G374-L389 CarbonylContact C-O 3.47Å; I375-L389 HydrophobicContact CB-CB 4.26Å; I375-L389 PolarHBondContact N-O 2.93Å; I375-L389 PolarHBondContact O-N 3.22Å; I377-L389 HydrophobicContact CD1-CD1 3.91Å; I377-L389 HydrophobicContact CD1-CG 4.34Å; R387-L389 HydrophobicContact CB-CD2 4.11Å; L389-G391 PolarHBondContact O-N 2.88Å; L389-G391 VanDerWaalsContact O-N 3.14Å; L389-I458 HydrophobicContact CD1-CD1 3.67Å; L389-F471 HydrophobicContact CB-CD1 3.92Å; L389-F471 HydrophobicContact CB-CE1 4.16Å; L389-F471 HydrophobicContact CB-CG 4.28Å; L389-F471 HydrophobicContact CD1-CB 4.08Å; L389-F471 HydrophobicContact CD1-CG 4.39Å
390	G	93	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	67.3	11.5	178.6	0	0	0	0	0	114.1	Q77 E393 F471	Q77-G390 WeakPolarHBondContact O-CA 3.33Å; Q77-G390 PolarHBondContact O-N 3.28Å; G390-E393 WeakPolarHBondContact O-CB 3.42Å; G390-E393 PolarHBondContact O-N 2.82Å; G390-E393 VanDerWaalsContact O-N 3.16Å; G390-F471 VanDerWaalsContact N-CE1 3.31Å
391	G	90.3	Very high	93	Very high	15 Å²	15	27.8 Å²	27.8	16%	0.155	14%	0.142	C	C	.	.	S	Bend	trans	-57.9	-47	178.4	0	0	0	0	0	113.3	R340 L373 L389 E393	R340-G391 PolarHBondContact NH1-O 2.86Å; R340-G391 VanDerWaalsContact NH1-O 3.13Å; R340-G391 PolarHBondContact NH2-O 2.84Å; L373-G391 VanDerWaalsContact O-CA 3.25Å; L373-G391 WeakPolarHBondContact O-CA 3.31Å; L389-G391 PolarHBondContact O-N 2.88Å; L389-G391 VanDerWaalsContact O-N 3.14Å; G391-E393 VanDerWaalsContact C-N 3.28Å; G391-E393 PolarHBondContact O-N 2.91Å
392	P	90.1	Very high	93.1	Very high	47 Å²	47	26.3 Å²	26.3	31%	0.305	13%	0.133	S	C	.	.	S	Bend	trans	-72.4	-15.8	175.6	-21.2	34.5	0	0	0	114.9	Q77 Y78	Q77-P392 HydrophobicContact CB-CG 4.2Å; Y78-P392 HydrophobicContact CD1-CB 4.31Å; Y78-P392 HydrophobicContact CE1-CB 3.5Å; Y78-P392 HydrophobicContact CE1-CG 4.3Å; Y78-P392 HydrophobicContact CE2-CB 4.07Å; Y78-P392 HydrophobicContact CE2-CG 4.02Å; Y78-P392 VanDerWaalsContact OH-CB 3.27Å; Y78-P392 WeakPolarHBondContact OH-CB 3.09Å
393	E	90.9	Very high	93.2	Very high	15 Å²	15	26.1 Å²	26.1	7%	0.07	13%	0.132	C	C	.	.	S	Bend	trans	-75.3	138.8	-178.4	-68.9	-73.5	180	0	0	111	Y78 Y79 R340 G390 G391 L395 F397 R494	Y78-E393 HydrophobicContact CD1-CG 4.24Å; Y78-E393 WeakPolarHBondContact CD1-OE1 3.45Å; Y79-E393 VanDerWaalsContact CD1-CD 3.48Å; Y79-E393 HydrophobicContact CD1-CG 3.98Å; Y79-E393 WeakPolarHBondContact CD1-OE1 3.38Å; Y79-E393 VanDerWaalsContact CE1-CD 3.45Å; Y79-E393 HydrophobicContact CE1-CG 4.35Å; Y79-E393 WeakPolarHBondContact CE1-OE1 3.49Å; R340-E393 PolarHBondContact NH2-O 2.89Å; G390-E393 WeakPolarHBondContact O-CB 3.42Å; G390-E393 PolarHBondContact O-N 2.82Å; G390-E393 VanDerWaalsContact O-N 3.16Å; G391-E393 VanDerWaalsContact C-N 3.28Å; G391-E393 PolarHBondContact O-N 2.91Å; E393-L395 HydrophobicContact CB-CB 4.47Å; E393-L395 PolarHBondContact O-N 3.42Å; E393-F397 HydrophobicContact CB-CE2 4.32Å; E393-F397 HydrophobicContact CB-CZ 4.16Å; E393-R494 IonicContact OE1-CZ 3.55Å; E393-R494 IonicContact OE1-NH1 2.68Å; E393-R494 PolarHBondContact OE1-NH1 3.17Å; E393-R494 IonicContact OE1-NH2 3.51Å; E393-R494 PolarHBondContact OE1-NH2 3.33Å; E393-R494 IonicContact OE2-NH1 3.76Å; E393-R494 IonicContact OE2-NH2 2.55Å; E393-R494 PolarHBondContact OE2-NH2 2.96Å
394	N	89.5	Confident	92.8	Very high	76 Å²	76	26.9 Å²	26.9	41%	0.406	14%	0.138	S	C	.	.	S	Bend	trans	-85.5	50.9	174.1	-174.2	28.2	0	0	0	111.4	R339	R339-N394 PolarHBondContact NE-OD1 2.83Å; R339-N394 PolarHBondContact NH1-ND2 2.79Å; R339-N394 PolarHBondContact NH2-OD1 2.84Å
395	L	93.3	Very high	92	Very high	25 Å²	25	23 Å²	23	13%	0.131	13%	0.127	C	C	.	.			trans	-130	135.2	-177.7	-65.3	172.7	0	0	0	109.5	Y79 E393 F397 A462 K465 Y469	Y79-L395 HydrophobicContact CD1-CD1 4.4Å; Y79-L395 HydrophobicContact CE1-CD1 3.94Å; E393-L395 HydrophobicContact CB-CB 4.47Å; E393-L395 PolarHBondContact O-N 3.42Å; L395-F397 HydrophobicContact CB-CE1 4.03Å; L395-F397 HydrophobicContact CB-CE2 4.16Å; L395-F397 HydrophobicContact CB-CZ 3.78Å; L395-F397 HydrophobicContact CD1-CE1 4.05Å; L395-F397 HydrophobicContact CD1-CZ 4.02Å; L395-F397 PolarHBondContact O-N 2.86Å; L395-A462 HydrophobicContact CB-CB 4.23Å; L395-A462 HydrophobicContact CD2-CB 4.39Å; L395-K465 HydrophobicContact CD2-CG 4.22Å; L395-Y469 HydrophobicContact CD1-CD1 3.99Å; L395-Y469 HydrophobicContact CD1-CE1 3.48Å; L395-Y469 VanDerWaalsContact CD1-CE1 3.48Å; L395-Y469 HydrophobicContact CD1-CE2 4.18Å
396	R	94.8	Very high	90.8	Very high	18 Å²	18	25.3 Å²	25.3	7%	0.068	13%	0.133	C	C	.	.			trans	-91.7	95.7	169.4	176.3	47.7	166.9	113.8	-2.6	109.1	Q343 E344 A370 A462 F463	Q343-R396 HydrophobicContact CG-CB 4.15Å; E344-R396 IonicContact OE1-CZ 3.55Å; E344-R396 VanDerWaalsContact OE1-CZ 3.23Å; E344-R396 IonicContact OE1-NE 2.76Å; E344-R396 PolarHBondContact OE1-NE 2.8Å; E344-R396 IonicContact OE1-NH2 3.48Å; E344-R396 PolarHBondContact OE1-NH2 2.77Å; E344-R396 IonicContact OE2-CZ 3.88Å; E344-R396 IonicContact OE2-NE 3.54Å; E344-R396 IonicContact OE2-NH2 3.29Å; E344-R396 PolarHBondContact OE2-NH2 3.34Å; A370-R396 PolarHBondContact O-NH1 2.76Å; R396-A462 CarbonylContact O-C 3.23Å; R396-A462 VanDerWaalsContact O-CA 3.24Å; R396-A462 WeakPolarHBondContact O-CA 3.46Å; R396-F463 HydrophobicContact CB-CB 4.1Å; R396-F463 HydrophobicContact CG-CB 4.22Å; R396-F463 PolarHBondContact O-N 2.55Å
397	F	96.1	Very high	88.9	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	150.1	176.4	-58.3	-71.3	0	0	0	111.3	A370 I375 E393 L395 C460 T461 A462 Y469 F471	A370-F397 HydrophobicContact CB-CB 4.01Å; A370-F397 WeakPolarHBondContact CB-O 3.32Å; I375-F397 HydrophobicContact CD1-CB 4.25Å; I375-F397 HydrophobicContact CD1-CD1 4.46Å; I375-F397 HydrophobicContact CD1-CD2 4.12Å; I375-F397 HydrophobicContact CD1-CG 4Å; I375-F397 HydrophobicContact CG1-CB 4.05Å; I375-F397 HydrophobicContact CG1-CD2 3.96Å; I375-F397 HydrophobicContact CG1-CG 4.08Å; E393-F397 HydrophobicContact CB-CE2 4.32Å; E393-F397 HydrophobicContact CB-CZ 4.16Å; L395-F397 HydrophobicContact CB-CE1 4.03Å; L395-F397 HydrophobicContact CB-CE2 4.16Å; L395-F397 HydrophobicContact CB-CZ 3.78Å; L395-F397 HydrophobicContact CD1-CE1 4.05Å; L395-F397 HydrophobicContact CD1-CZ 4.02Å; L395-F397 PolarHBondContact O-N 2.86Å; F397-C460 HydrophobicContact CD1-CB 4.16Å; F397-C460 WeakPolarHBondContact CD1-SG 3.11Å; F397-T461 CarbonylContact C-O 3.48Å; F397-T461 WeakPolarHBondContact CA-O 3.35Å; F397-A462 HydrophobicContact CD1-CB 4.38Å; F397-Y469 HydrophobicContact CE1-CD2 4.14Å; F397-Y469 HydrophobicContact CE1-CG 4.22Å; F397-F471 AromaticContact CE1-CE2 3.93Å; F397-F471 HydrophobicContact CE1-CE2 3.93Å; F397-F471 HydrophobicContact CE1-CZ 4.19Å; F397-F471 HydrophobicContact CE2-CE2 4.44Å; F397-F471 HydrophobicContact CE2-CZ 4.13Å; F397-F471 AromaticContact CZ-CE2 3.85Å; F397-F471 HydrophobicContact CZ-CE2 3.85Å; F397-F471 AromaticContact CZ-CZ 3.65Å; F397-F471 HydrophobicContact CZ-CZ 3.65Å
398	I	94.4	Very high	86	Confident	7 Å²	7	27 Å²	27	4%	0.036	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	-68.5	-176.4	-64.9	-173.7	0	0	0	111.3	L347 S355 T461 F463	L347-I398 HydrophobicContact CD1-CD1 4Å; S355-I398 WeakPolarHBondContact O-CG2 3.48Å; S355-I398 VanDerWaalsContact OG-CG2 3.3Å; S355-I398 WeakPolarHBondContact OG-CG2 3.47Å; I398-T461 PolarHBondContact N-O 2.7Å; I398-F463 VanDerWaalsContact CD1-CA 3.48Å; I398-F463 HydrophobicContact CD1-CB 3.61Å; I398-F463 HydrophobicContact CD1-CD2 3.79Å; I398-F463 HydrophobicContact CD1-CG 4.13Å; I398-F463 HydrophobicContact CG1-CB 4.17Å
399	Q	96.2	Very high	83.1	Confident	16 Å²	16	29.6 Å²	29.6	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.7	-179.3	-75.6	-83	-25.3	0	0	109.4	T90 V92 S355 N357 C460 T461	T90-Q399 WeakPolarHBondContact O-CG 3.21Å; V92-Q399 HydrophobicContact CB-CB 4.32Å; V92-Q399 HydrophobicContact CG2-CB 4.24Å; S355-Q399 WeakPolarHBondContact O-CG 3.36Å; S355-Q399 PolarHBondContact O-NE2 2.89Å; N357-Q399 VanDerWaalsContact CG-OE1 3.31Å; N357-Q399 PolarHBondContact ND2-OE1 2.59Å; N357-Q399 VanDerWaalsContact ND2-OE1 3.1Å; N357-Q399 WeakPolarHBondContact OD1-CA 3.44Å; Q399-C460 CarbonylContact O-C 3.52Å; Q399-C460 WeakPolarHBondContact O-CA 3.49Å; Q399-C460 WeakPolarHBondContact O-CB 3.37Å; Q399-T461 HydrophobicContact CB-CG2 4.22Å; Q399-T461 WeakPolarHBondContact CB-OG1 3.21Å; Q399-T461 PolarHBondContact N-OG1 3.41Å; Q399-T461 PolarHBondContact O-N 2.89Å
400	L	97.1	Very high	80.3	Confident	3 Å²	3	35 Å²	35	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.9	-179.9	-52.2	-179.6	0	0	0	110.2	N357 V359 A368 A370 I375 V459 C460	N357-L400 PolarHBondContact ND2-O 2.86Å; N357-L400 PolarHBondContact OD1-N 3.02Å; V359-L400 HydrophobicContact CG2-CB 3.8Å; V359-L400 VanDerWaalsContact CG2-O 3.27Å; V359-L400 WeakPolarHBondContact CG2-O 3.35Å; A368-L400 HydrophobicContact CB-CD1 4.32Å; A370-L400 HydrophobicContact CB-CD1 4.43Å; A370-L400 HydrophobicContact CB-CD2 4.43Å; I375-L400 HydrophobicContact CD1-CD2 3.64Å; I375-L400 HydrophobicContact CG1-CD2 3.88Å; I375-L400 HydrophobicContact CG2-CD1 3.74Å; I375-L400 HydrophobicContact CG2-CD2 4.27Å; L400-V459 CarbonylContact C-O 3.49Å; L400-V459 WeakPolarHBondContact CA-O 3.12Å; L400-C460 HydrophobicContact CD2-CB 3.39Å
401	A	95.9	Very high	77.1	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	136.9	163.9	0	0	0	0	0	110.3	V92 L100 V459	V92-A401 HydrophobicContact CG1-CB 3.72Å; L100-A401 HydrophobicContact CD1-CB 4.47Å; A401-V459 PolarHBondContact N-O 3.35Å; A401-V459 PolarHBondContact O-N 3.05Å
402	F	93.5	Very high	74	Confident	25 Å²	25	53.1 Å²	53.1	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.9	169.9	-84.8	-75.7	0	0	0	110.2	I73 Y94 V359 D361 A368 I377 I458	I73-F402 HydrophobicContact CG2-CE1 4.5Å; Y94-F402 WeakPolarHBondContact CD1-O 3.5Å; V359-F402 HydrophobicContact CB-CD2 4.23Å; V359-F402 HydrophobicContact CG1-CD2 3.72Å; V359-F402 HydrophobicContact CG1-CE2 4.5Å; D361-F402 HydrophobicContact CB-CE2 4.33Å; D361-F402 HydrophobicContact CB-CZ 4.43Å; A368-F402 HydrophobicContact CB-CE2 3.52Å; A368-F402 HydrophobicContact CB-CZ 3.78Å; I377-F402 HydrophobicContact CD1-CZ 4.33Å; F402-I458 HydrophobicContact CD1-CD1 4.03Å; F402-I458 HydrophobicContact CD1-CG1 3.5Å; F402-I458 VanDerWaalsContact CD1-CG1 3.5Å; F402-I458 HydrophobicContact CE1-CD1 3.38Å; F402-I458 HydrophobicContact CE1-CG1 3.4Å; F402-I458 VanDerWaalsContact CE1-CG1 3.4Å; F402-I458 HydrophobicContact CG-CG1 4.25Å; F402-I458 HydrophobicContact CZ-CD1 3.7Å; F402-I458 HydrophobicContact CZ-CG1 4.07Å
403	M	90.9	Very high	71	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	99.9	169.3	179.3	165.9	71.6	0	0	107.7	Y94 K114 L120 V457	Y94-M403 HydrophobicContact CD2-CB 4.31Å; Y94-M403 HydrophobicContact CD2-CG 4.19Å; Y94-M403 HydrophobicContact CD2-SD 4.34Å; Y94-M403 HydrophobicContact CE1-CG 4.36Å; Y94-M403 HydrophobicContact CE2-CB 4.14Å; Y94-M403 HydrophobicContact CE2-CG 3.56Å; Y94-M403 HydrophobicContact CE2-SD 3.7Å; K114-M403 HydrophobicContact CB-CE 3.83Å; K114-M403 HydrophobicContact CB-SD 3.7Å; K114-M403 HydrophobicContact CD-CE 3.81Å; K114-M403 HydrophobicContact CD-SD 4.35Å; K114-M403 HydrophobicContact CG-CE 3.6Å; K114-M403 HydrophobicContact CG-SD 4.15Å; L120-M403 HydrophobicContact CD2-CE 4.01Å; L120-M403 HydrophobicContact CD2-SD 4.43Å; M403-V457 HydrophobicContact CB-CB 4.18Å; M403-V457 HydrophobicContact CE-CB 3.55Å; M403-V457 HydrophobicContact CE-CG1 3.83Å; M403-V457 HydrophobicContact CE-CG2 3.64Å; M403-V457 PolarHBondContact N-O 3.25Å; M403-V457 PolarHBondContact O-N 3.38Å
404	P	82.5	Confident	67.8	Low	46 Å²	46	59.2 Å²	59.2	30%	0.299	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-65.3	158.4	-178.4	27.8	-34.1	0	0	0	111.1	Y94	Y94-P404 HydrophobicContact CE1-CG 4.24Å
405	P	75.7	Confident	64.7	Low	26 Å²	26	61 Å²	61	17%	0.169	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.5	141.3	176.9	27.8	-34.6	0	0	0	111.1	N72 C454	N72-P405 WeakPolarHBondContact OD1-CG 3.46Å; P405-C454 WeakPolarHBondContact CB-O 3.41Å
406	R	66.7	Low	61.5	Low	72 Å²	72	68.1 Å²	68.1	27%	0.272	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-85.6	121.1	-179.5	-159.1	175.8	-178.1	136	4	108.6	T408 C454	R406-T408 PolarHBondContact O-N 3.06Å; R406-C454 PolarHBondContact O-SG 3.07Å
407	S	52.7	Low	58.3	Low	42 Å²	42	74.5 Å²	74.5	29%	0.294	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69.1	129.2	173.2	-167.6	0	0	0	0	109.7	S409	S407-S409 PolarHBondContact O-N 3.25Å; S407-S409 VanDerWaalsContact O-N 3.12Å
408	T	33.9	Very low	54.9	Low	81 Å²	81	77.2 Å²	77.2	50%	0.497	44%	0.441	S	S	.	.	S	Bend	trans	-71.8	4.7	-179.7	41.1	0	0	0	0	113.8	R406 I410 F411 I453	R406-T408 PolarHBondContact O-N 3.06Å; T408-I410 PolarHBondContact O-N 2.7Å; T408-F411 PolarHBondContact O-N 3.45Å; T408-I453 HydrophobicContact CG2-CG2 3.96Å
409	S	33.3	Very low	51.6	Low	97 Å²	97	83.2 Å²	83.2	68%	0.678	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	5.4	-175.9	84.4	0	0	0	0	115.5	S407	S407-S409 PolarHBondContact O-N 3.25Å; S407-S409 VanDerWaalsContact O-N 3.12Å
410	I	34.7	Very low	48.2	Very low	115 Å²	115	85.9 Å²	85.9	59%	0.59	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.8	178.6	-64.8	175.9	0	0	0	112.7	T408	T408-I410 PolarHBondContact O-N 2.7Å
411	F	27.5	Very low	44.8	Very low	158 Å²	158	91.9 Å²	91.9	69%	0.693	55%	0.552	S	S	*	*	S	Bend	trans	-109.7	6.6	-170.6	-79.6	-77.8	0	0	0	117.7	T408	T408-F411 PolarHBondContact O-N 3.45Å
412	Y	25.3	Very low	41.4	Very low	238 Å²	238	97 Å²	97	93%	0.933	59%	0.588	S	S	*	*	S	Bend	trans	-109.6	83.4	167.5	-78.9	-80.5	0	0	0	111
413	G	25.5	Very low	38.4	Very low	61 Å²	61	101 Å²	101	63%	0.629	62%	0.618	S	S	*	*			trans	170.3	73.1	175	0	0	0	0	0	113.6	T415	G413-T415 PolarHBondContact O-N 3.24Å
414	S	24.5	Very low	35.4	Very low	128 Å²	128	106.3 Å²	106.3	90%	0.895	66%	0.655	S	S	*	*			trans	-62.5	88.1	160	167.1	0	0	0	0	109.4
415	T	24.5	Very low	33.1	Very low	114 Å²	114	109.3 Å²	109.3	70%	0.699	67%	0.672	S	S	*	*			trans	-142.7	118	155.8	46.4	0	0	0	0	110.2	G413 I417	G413-T415 PolarHBondContact O-N 3.24Å; T415-I417 PolarHBondContact O-N 3.48Å
416	N	26.2	Very low	31.1	Very low	174 Å²	174	110 Å²	110	93%	0.93	68%	0.677	S	S	*	*			trans	-48.7	106.1	163.1	-77.3	-41.5	0	0	0	110.4
417	I	27.4	Very low	29.9	Very low	152 Å²	152	109.1 Å²	109.1	78%	0.779	68%	0.682	S	S	*	*			trans	-141.7	117.6	157.4	-56.9	-177.9	0	0	0	107.7	T415	T415-I417 PolarHBondContact O-N 3.48Å
418	G	24.1	Very low	29.6	Very low	58 Å²	58	109.2 Å²	109.2	60%	0.598	68%	0.678	S	S	*	*			trans	-68.5	168.7	177.6	0	0	0	0	0	113.8
419	S	25.2	Very low	30	Very low	133 Å²	133	112 Å²	112	93%	0.93	69%	0.686	S	S	*	*			trans	40.4	91.9	156.6	58.9	0	0	0	0	116
420	G	24.9	Very low	30.5	Very low	73 Å²	73	113.2 Å²	113.2	75%	0.753	68%	0.682	S	S	*	*			trans	-175.3	98.9	172	0	0	0	0	0	112.7	S422	G420-S422 PolarHBondContact O-N 2.88Å
421	T	25.1	Very low	30.9	Very low	128 Å²	128	110.3 Å²	110.3	79%	0.785	67%	0.667	S	S	*	*			trans	-51.5	108.8	165	47.7	0	0	0	0	110.8
422	S	26.3	Very low	31.6	Very low	114 Å²	114	104.2 Å²	104.2	80%	0.797	65%	0.647	S	S	*	*			trans	-166.8	70	160.9	-77	0	0	0	0	109.8	G420 C424	G420-S422 PolarHBondContact O-N 2.88Å; S422-C424 PolarHBondContact O-N 2.76Å
423	S	29.7	Very low	32.4	Very low	108 Å²	108	99.9 Å²	99.9	76%	0.755	64%	0.636	S	S	*	*			trans	-72.7	79.2	157.9	50.1	0	0	0	0	108.4	V425	S423-V425 PolarHBondContact O-N 3.07Å; S423-V425 VanDerWaalsContact O-N 3.08Å
424	C	27.3	Very low	33.2	Very low	115 Å²	115	99.9 Å²	99.9	78%	0.777	63%	0.631	S	S	*	*			trans	-69	106.3	168.9	-167.6	0	0	0	0	107.5	S422 P426	S422-C424 PolarHBondContact O-N 2.76Å; C424-P426 VanDerWaalsContact O-CD 3.23Å; C424-P426 WeakPolarHBondContact O-CD 3.29Å
425	V	34.5	Very low	34	Very low	108 Å²	108	99.1 Å²	99.1	66%	0.655	62%	0.617	S	S	*	*			trans	-62.9	112.5	167.4	-173.8	0	0	0	0	105.9	S423 S427	S423-V425 PolarHBondContact O-N 3.07Å; S423-V425 VanDerWaalsContact O-N 3.08Å; V425-S427 PolarHBondContact O-N 2.9Å
426	P	33.3	Very low	34.6	Very low	42 Å²	42	100.7 Å²	100.7	27%	0.273	62%	0.621	S	S	.	*			trans	-60.4	135.9	175	24.2	-30.7	0	0	0	107.9	C424 M430 L431	C424-P426 VanDerWaalsContact O-CD 3.23Å; C424-P426 WeakPolarHBondContact O-CD 3.29Å; P426-M430 HydrophobicContact CB-CB 4.17Å; P426-L431 HydrophobicContact CB-CD2 4.25Å; P426-L431 HydrophobicContact CB-CG 4.08Å; P426-L431 HydrophobicContact CG-CD1 4.06Å; P426-L431 HydrophobicContact CG-CD2 3.62Å; P426-L431 HydrophobicContact CG-CG 3.73Å
427	S	42.2	Very low	35	Very low	53 Å²	53	96.4 Å²	96.4	37%	0.371	61%	0.605	S	S	.	*			trans	-56.2	149	175.4	65.2	0	0	0	0	109.2	V425 E429 M430 L431	V425-S427 PolarHBondContact O-N 2.9Å; S427-E429 PolarHBondContact O-N 2.87Å; S427-M430 WeakPolarHBondContact O-CA 3.16Å; S427-M430 WeakPolarHBondContact O-CB 3.37Å; S427-M430 PolarHBondContact O-N 3.31Å; S427-M430 WeakPolarHBondContact OG-CG 3.41Å; S427-M430 PolarHBondContact OG-N 2.54Å; S427-L431 PolarHBondContact O-N 3.08Å; S427-L431 VanDerWaalsContact O-N 3.11Å
428	L	45.5	Very low	35.3	Very low	43 Å²	43	96.1 Å²	96.1	23%	0.225	60%	0.604	C	S	.	*	H	α-helix	trans	-56.3	-29.1	-178.2	-166.5	58.5	0	0	0	112.5	Y69 N72 A432	Y69-L428 HydrophobicContact CD1-CD2 3.46Å; Y69-L428 VanDerWaalsContact CD1-CD2 3.46Å; Y69-L428 HydrophobicContact CE1-CD2 3.38Å; Y69-L428 HydrophobicContact CE1-CG 4.4Å; N72-L428 WeakPolarHBondContact ND2-CD1 3.35Å; L428-A432 PolarHBondContact O-N 3.15Å; L428-A432 VanDerWaalsContact O-N 3.16Å
429	E	44	Very low	35.5	Very low	139 Å²	139	98.5 Å²	98.5	65%	0.65	61%	0.609	S	S	*	*	H	α-helix	trans	-68.6	-41.6	171.8	-66.9	170.7	171.2	0	0	112.5	S427 L431 A432 M433	S427-E429 PolarHBondContact O-N 2.87Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 3.11Å; E429-A432 PolarHBondContact O-N 2.86Å; E429-M433 WeakPolarHBondContact O-CG 2.98Å; E429-M433 PolarHBondContact O-N 2.96Å
430	M	43.2	Very low	35.6	Very low	123 Å²	123	96.1 Å²	96.1	61%	0.606	61%	0.605	S	S	*	*	H	α-helix	trans	-63.8	-37.6	175	-81	-173.5	-159.8	0	0	112.4	P426 S427 M433 A434	P426-M430 HydrophobicContact CB-CB 4.17Å; S427-M430 WeakPolarHBondContact O-CA 3.16Å; S427-M430 WeakPolarHBondContact O-CB 3.37Å; S427-M430 PolarHBondContact O-N 3.31Å; S427-M430 WeakPolarHBondContact OG-CG 3.41Å; S427-M430 PolarHBondContact OG-N 2.54Å; M430-M433 PolarHBondContact O-N 2.67Å; M430-A434 PolarHBondContact O-N 3.34Å; M430-A434 VanDerWaalsContact O-N 3.08Å
431	L	42.8	Very low	35.8	Very low	54 Å²	54	98.6 Å²	98.6	28%	0.283	61%	0.606	S	S	.	*	H	α-helix	trans	-67.5	-37	175.6	-72.8	171.2	0	0	0	112.1	P426 S427 E429	P426-L431 HydrophobicContact CB-CD2 4.25Å; P426-L431 HydrophobicContact CB-CG 4.08Å; P426-L431 HydrophobicContact CG-CD1 4.06Å; P426-L431 HydrophobicContact CG-CD2 3.62Å; P426-L431 HydrophobicContact CG-CG 3.73Å; S427-L431 PolarHBondContact O-N 3.08Å; S427-L431 VanDerWaalsContact O-N 3.11Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 3.11Å
432	A	42.6	Very low	35.8	Very low	31 Å²	31	99.5 Å²	99.5	26%	0.256	61%	0.606	S	S	.	*	H	α-helix	trans	-66.8	-38.8	175.9	0	0	0	0	0	111.9	I68 L428 E429	I68-A432 HydrophobicContact CG2-CB 3.72Å; L428-A432 PolarHBondContact O-N 3.15Å; L428-A432 VanDerWaalsContact O-N 3.16Å; E429-A432 PolarHBondContact O-N 2.86Å
433	M	40.9	Very low	35.8	Very low	146 Å²	146	101.6 Å²	101.6	72%	0.719	61%	0.608	S	S	*	*	H	α-helix	trans	-72.1	-36.2	178.9	-71.9	179.9	159.9	0	0	113.5	E429 M430 N435 D436	E429-M433 WeakPolarHBondContact O-CG 2.98Å; E429-M433 PolarHBondContact O-N 2.96Å; M430-M433 PolarHBondContact O-N 2.67Å; M433-N435 VanDerWaalsContact C-N 3.28Å; M433-N435 PolarHBondContact O-N 3.26Å; M433-D436 PolarHBondContact O-N 3.46Å
434	A	42.7	Very low	35.7	Very low	62 Å²	62	101.2 Å²	101.2	51%	0.512	61%	0.605	S	S	.	*	H	α-helix	trans	-64.9	-31	-179	0	0	0	0	0	113	M430 S437	M430-A434 PolarHBondContact O-N 3.34Å; M430-A434 VanDerWaalsContact O-N 3.08Å; A434-S437 PolarHBondContact O-OG 3.07Å
435	N	42.7	Very low	35.6	Very low	112 Å²	112	101.9 Å²	101.9	60%	0.599	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-16	-179.3	-115.7	6.9	0	0	0	114.2	M433 S437	M433-N435 VanDerWaalsContact C-N 3.28Å; M433-N435 PolarHBondContact O-N 3.26Å; N435-S437 VanDerWaalsContact C-N 3.32Å
436	D	36.9	Very low	35.3	Very low	146 Å²	146	103.2 Å²	103.2	78%	0.781	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	4.9	-178.3	-118.8	13.2	0	0	0	113.4	M433	M433-D436 PolarHBondContact O-N 3.46Å
437	S	34	Very low	35	Very low	85 Å²	85	107.6 Å²	107.6	59%	0.594	65%	0.646	S	S	*	*			trans	-117	42.7	-176.2	56.5	0	0	0	0	114	A434 N435 P439	A434-S437 PolarHBondContact O-OG 3.07Å; N435-S437 VanDerWaalsContact C-N 3.32Å; S437-P439 WeakPolarHBondContact O-CD 3.25Å
438	L	33.8	Very low	34.3	Very low	146 Å²	146	108.8 Å²	108.8	76%	0.764	65%	0.654	S	S	*	*			trans	-100.1	104	166.4	-89	148.1	0	0	0	109.6
439	P	28.2	Very low	33.9	Very low	108 Å²	108	111.6 Å²	111.6	70%	0.701	67%	0.669	S	S	*	*			trans	-73.9	130.1	173.3	29.7	-30.2	0	0	0	109.4	S437 T441	S437-P439 WeakPolarHBondContact O-CD 3.25Å; P439-T441 PolarHBondContact O-N 3.08Å; P439-T441 VanDerWaalsContact O-N 3.17Å
440	G	27.7	Very low	33.5	Very low	82 Å²	82	109.8 Å²	109.8	85%	0.845	67%	0.672	S	S	*	*			trans	-55.2	119.9	175.7	0	0	0	0	0	111.3
441	T	28.1	Very low	33.7	Very low	126 Å²	126	108.5 Å²	108.5	77%	0.773	67%	0.671	S	S	*	*			trans	-149.9	128.9	162.8	-19.3	0	0	0	0	111.6	P439	P439-T441 PolarHBondContact O-N 3.08Å; P439-T441 VanDerWaalsContact O-N 3.17Å
442	N	24.9	Very low	34	Very low	146 Å²	146	106.1 Å²	106.1	78%	0.781	66%	0.659	S	S	*	*			trans	-63.5	131.4	175.6	-55.1	-45.1	0	0	0	111.4
443	N	27.9	Very low	34.4	Very low	158 Å²	158	106.7 Å²	106.7	85%	0.845	66%	0.657	S	S	*	*				177	142.7	122.5	-89.1	-18.9	0	0	0	112.4
444	S	26.5	Very low	35.2	Very low	100 Å²	100	102.1 Å²	102.1	70%	0.699	64%	0.639	S	S	*	*			trans	-38.7	149.3	179.8	53.4	0	0	0	0	118
445	T	24.8	Very low	36.9	Very low	129 Å²	129	100.3 Å²	100.3	79%	0.791	62%	0.622	S	S	*	*	S	Bend	trans	94.3	65.5	161	68.4	0	0	0	0	118.2
446	T	29.5	Very low	39.1	Very low	136 Å²	136	95 Å²	95	83%	0.834	59%	0.594	S	S	*	*			trans	160.5	82.8	138.7	33.5	0	0	0	0	108.2
447	S	26.1	Very low	41.8	Very low	134 Å²	134	88.2 Å²	88.2	94%	0.937	56%	0.558	S	S	*	*			trans	-102.2	20.7	-175.1	57.4	0	0	0	0	114.1
448	C	27.3	Very low	44.7	Very low	78 Å²	78	84.3 Å²	84.3	53%	0.527	53%	0.53	S	S	.	.	S	Bend	trans	-110	143.3	169.5	58.7	0	0	0	0	110
449	D	37.6	Very low	47.7	Very low	102 Å²	102	77.4 Å²	77.4	55%	0.545	49%	0.494	S	S	.	.	S	Bend	trans	100.4	-11.3	156.6	-51.8	-27.4	0	0	0	121.6	T451	D449-T451 VanDerWaalsContact C-N 3.32Å; D449-T451 PolarHBondContact O-N 3.45Å
450	S	35.5	Very low	50.9	Low	102 Å²	102	72.2 Å²	72.2	71%	0.713	46%	0.46	S	S	*	.	H	α-helix	trans	-72.2	-25	173.7	-52.8	0	0	0	0	113.8
451	T	46.4	Very low	54.2	Low	95 Å²	95	68.4 Å²	68.4	58%	0.583	42%	0.42	S	S	*	.	H	α-helix	trans	-81.5	-25.4	-177.9	55.6	0	0	0	0	113.2	D449 T455	D449-T451 VanDerWaalsContact C-N 3.32Å; D449-T451 PolarHBondContact O-N 3.45Å; T451-T455 VanDerWaalsContact O-CG2 3.3Å; T451-T455 WeakPolarHBondContact O-CG2 3.33Å
452	A	49.7	Very low	57.4	Low	5 Å²	5	62.5 Å²	62.5	4%	0.041	38%	0.384	C	S	.	.	H	α-helix	trans	-71.9	-42.2	-177.1	0	0	0	0	0	112.3	K114 C454 T455	K114-A452 PolarHBondContact NZ-O 3.01Å; A452-C454 VanDerWaalsContact C-N 3.28Å; A452-C454 PolarHBondContact O-N 2.71Å; A452-T455 PolarHBondContact O-N 2.74Å; A452-T455 PolarHBondContact O-OG1 3.14Å
453	I	50.9	Low	60.7	Low	42 Å²	42	55.8 Å²	55.8	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-39.7	-179	-59.5	165.7	0	0	0	111.1	K114 D116 T408 T455	K114-I453 PolarHBondContact NZ-O 2.94Å; D116-I453 WeakPolarHBondContact O-CG1 3.4Å; T408-I453 HydrophobicContact CG2-CG2 3.96Å; I453-T455 PolarHBondContact O-N 3.33Å
454	C	58.8	Low	63.7	Low	50 Å²	50	53.5 Å²	53.5	34%	0.338	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	15.9	-175.8	-72.1	0	0	0	0	115	P405 R406 A452	P405-C454 WeakPolarHBondContact CB-O 3.41Å; R406-C454 PolarHBondContact O-SG 3.07Å; A452-C454 VanDerWaalsContact C-N 3.28Å; A452-C454 PolarHBondContact O-N 2.71Å
455	T	78.6	Confident	66.9	Low	24 Å²	24	53.1 Å²	53.1	15%	0.147	32%	0.316	C	S	.	.			trans	-80.2	135	175.4	51.8	0	0	0	0	112.6	K114 T451 A452 I453	K114-T455 PolarHBondContact NZ-O 2.95Å; K114-T455 PolarHBondContact NZ-OG1 3.5Å; T451-T455 VanDerWaalsContact O-CG2 3.3Å; T451-T455 WeakPolarHBondContact O-CG2 3.33Å; A452-T455 PolarHBondContact O-N 2.74Å; A452-T455 PolarHBondContact O-OG1 3.14Å; I453-T455 PolarHBondContact O-N 3.33Å
456	P	89	Confident	70.2	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.013	29%	0.288	C	S	.	.			trans	-69.2	147.1	165	32.4	-36.5	0	0	0	110.1	R71 N72	R71-P456 WeakPolarHBondContact O-CG 3.23Å; N72-P456 WeakPolarHBondContact O-CB 2.99Å
457	V	92.4	Very high	73.3	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.9	177.9	-177.4	0	0	0	0	109.7	M403 V459 L470 F471 T472	M403-V457 HydrophobicContact CB-CB 4.18Å; M403-V457 HydrophobicContact CE-CB 3.55Å; M403-V457 HydrophobicContact CE-CG1 3.83Å; M403-V457 HydrophobicContact CE-CG2 3.64Å; M403-V457 PolarHBondContact N-O 3.25Å; M403-V457 PolarHBondContact O-N 3.38Å; V457-V459 HydrophobicContact CG1-CG2 4.15Å; V457-L470 HydrophobicContact CG1-CB 3.98Å; V457-L470 HydrophobicContact CG1-CD2 3.98Å; V457-L470 HydrophobicContact CG1-CG 3.89Å; V457-F471 WeakPolarHBondContact CA-O 3.39Å; V457-T472 HydrophobicContact CG1-CG2 4.25Å; V457-T472 HydrophobicContact CG2-CG2 3.9Å
458	I	95	Very high	76.6	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.4	161.7	-78.9	167.8	0	0	0	107.2	P74 I375 I377 L389 F402 F471	P74-I458 HydrophobicContact CG-CB 4.07Å; P74-I458 HydrophobicContact CG-CD1 4.09Å; P74-I458 HydrophobicContact CG-CG1 3.86Å; I375-I458 HydrophobicContact CD1-CG2 4.42Å; I377-I458 HydrophobicContact CD1-CD1 3.39Å; I377-I458 HydrophobicContact CG1-CD1 4.39Å; L389-I458 HydrophobicContact CD1-CD1 3.67Å; F402-I458 HydrophobicContact CD1-CD1 4.03Å; F402-I458 HydrophobicContact CD1-CG1 3.5Å; F402-I458 VanDerWaalsContact CD1-CG1 3.5Å; F402-I458 HydrophobicContact CE1-CD1 3.38Å; F402-I458 HydrophobicContact CE1-CG1 3.4Å; F402-I458 VanDerWaalsContact CE1-CG1 3.4Å; F402-I458 HydrophobicContact CG-CG1 4.25Å; F402-I458 HydrophobicContact CZ-CD1 3.7Å; F402-I458 HydrophobicContact CZ-CG1 4.07Å; I458-F471 HydrophobicContact CB-CB 4.38Å; I458-F471 PolarHBondContact N-O 3.26Å; I458-F471 PolarHBondContact O-N 3.23Å
459	V	96.1	Very high	79.8	Confident	1 Å²	1	34 Å²	34	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.6	172.5	-175.9	0	0	0	0	107.9	V92 L100 L400 A401 V457 I468 Y469 L470	V92-V459 HydrophobicContact CG1-CG1 4.26Å; L100-V459 HydrophobicContact CD1-CB 4.39Å; L100-V459 HydrophobicContact CD1-CG1 4.24Å; L100-V459 HydrophobicContact CD1-CG2 4.35Å; L100-V459 HydrophobicContact CD2-CG1 3.86Å; L100-V459 HydrophobicContact CD2-CG2 4.21Å; L400-V459 CarbonylContact C-O 3.49Å; L400-V459 WeakPolarHBondContact CA-O 3.12Å; A401-V459 PolarHBondContact N-O 3.35Å; A401-V459 PolarHBondContact O-N 3.05Å; V457-V459 HydrophobicContact CG1-CG2 4.15Å; V459-I468 HydrophobicContact CG1-CG2 3.21Å; V459-Y469 WeakPolarHBondContact CA-O 3.3Å; V459-L470 HydrophobicContact CG2-CG 4.43Å
460	C	96.7	Very high	82.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.9	175.8	61.9	0	0	0	0	113.7	I375 F397 Q399 L400 Y469 F471	I375-C460 HydrophobicContact CD1-CB 4.03Å; F397-C460 HydrophobicContact CD1-CB 4.16Å; F397-C460 WeakPolarHBondContact CD1-SG 3.11Å; Q399-C460 CarbonylContact O-C 3.52Å; Q399-C460 WeakPolarHBondContact O-CA 3.49Å; Q399-C460 WeakPolarHBondContact O-CB 3.37Å; L400-C460 HydrophobicContact CD2-CB 3.39Å; C460-Y469 PolarHBondContact N-O 2.85Å; C460-Y469 PolarHBondContact O-N 3.45Å; C460-F471 WeakPolarHBondContact SG-CE2 3.39Å
461	T	96.5	Very high	85.4	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	164.3	173.1	72	0	0	0	0	110	I89 V92 F397 I398 Q399	I89-T461 HydrophobicContact CB-CG2 3.75Å; I89-T461 HydrophobicContact CD1-CG2 4.1Å; I89-T461 HydrophobicContact CG2-CG2 3.58Å; V92-T461 HydrophobicContact CG2-CG2 3.28Å; F397-T461 CarbonylContact C-O 3.48Å; F397-T461 WeakPolarHBondContact CA-O 3.35Å; I398-T461 PolarHBondContact N-O 2.7Å; Q399-T461 HydrophobicContact CB-CG2 4.22Å; Q399-T461 WeakPolarHBondContact CB-OG1 3.21Å; Q399-T461 PolarHBondContact N-OG1 3.41Å; Q399-T461 PolarHBondContact O-N 2.89Å
462	A	95.1	Very high	87.5	Confident	2 Å²	2	20 Å²	20	2%	0.017	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152	176.9	0	0	0	0	0	112.9	L395 R396 F397 K464 K465 Y469	L395-A462 HydrophobicContact CB-CB 4.23Å; L395-A462 HydrophobicContact CD2-CB 4.39Å; R396-A462 CarbonylContact O-C 3.23Å; R396-A462 VanDerWaalsContact O-CA 3.24Å; R396-A462 WeakPolarHBondContact O-CA 3.46Å; F397-A462 HydrophobicContact CD1-CB 4.38Å; A462-K464 PolarHBondContact O-N 2.76Å; A462-K465 HydrophobicContact CB-CB 4.04Å; A462-K465 HydrophobicContact CB-CG 3.86Å; A462-K465 PolarHBondContact O-N 3.41Å; A462-Y469 HydrophobicContact CB-CD2 4.39Å; A462-Y469 HydrophobicContact CB-CE2 3.7Å
463	F	94.7	Very high	89.4	Confident	5 Å²	5	22.7 Å²	22.7	2%	0.022	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	124.7	179.4	-176.4	-129.5	0	0	0	111.8	Q343 E346 L347 S350 F352 R396 I398 K465	Q343-F463 HydrophobicContact CG-CD1 4.04Å; E346-F463 HydrophobicContact CB-CE1 4.28Å; E346-F463 HydrophobicContact CG-CE1 4.03Å; E346-F463 HydrophobicContact CG-CZ 4.25Å; L347-F463 HydrophobicContact CB-CE1 4.4Å; L347-F463 HydrophobicContact CB-CE2 4.41Å; L347-F463 HydrophobicContact CB-CZ 4.27Å; L347-F463 HydrophobicContact CD1-CD2 3.54Å; L347-F463 HydrophobicContact CD1-CE2 3.6Å; L347-F463 HydrophobicContact CD1-CG 4.19Å; L347-F463 HydrophobicContact CD1-CZ 4.29Å; S350-F463 WeakPolarHBondContact OG-CE2 3.37Å; F352-F463 HydrophobicContact CB-CD2 4.22Å; F352-F463 HydrophobicContact CB-CE2 4.03Å; F352-F463 HydrophobicContact CD2-CD2 4.42Å; F352-F463 AromaticContact CD2-CE2 3.97Å; F352-F463 HydrophobicContact CD2-CE2 3.97Å; F352-F463 HydrophobicContact CG-CE2 4.36Å; R396-F463 HydrophobicContact CB-CB 4.1Å; R396-F463 HydrophobicContact CG-CB 4.22Å; R396-F463 PolarHBondContact O-N 2.55Å; I398-F463 VanDerWaalsContact CD1-CA 3.48Å; I398-F463 HydrophobicContact CD1-CB 3.61Å; I398-F463 HydrophobicContact CD1-CD2 3.79Å; I398-F463 HydrophobicContact CD1-CG 4.13Å; I398-F463 HydrophobicContact CG1-CB 4.17Å; F463-K465 PolarHBondContact O-N 2.78Å; F463-K465 VanDerWaalsContact O-N 3.15Å
464	K	91.3	Very high	91.1	Very high	110 Å²	110	25 Å²	25	48%	0.478	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	24	-178.2	-61.9	-175.6	171.5	-173.6	0	114.4	E346 A462	E346-K464 IonicContact OE1-NZ 3.04Å; E346-K464 PolarHBondContact OE1-NZ 2.51Å; A462-K464 PolarHBondContact O-N 2.76Å
465	K	93.6	Very high	92.4	Very high	92 Å²	92	24.9 Å²	24.9	40%	0.4	11%	0.114	S	C	.	.			trans	-110.2	136	173.3	-60	-59.9	-176.5	178.7	0	109.9	L395 A462 F463 R467 Y469	L395-K465 HydrophobicContact CD2-CG 4.22Å; A462-K465 HydrophobicContact CB-CB 4.04Å; A462-K465 HydrophobicContact CB-CG 3.86Å; A462-K465 PolarHBondContact O-N 3.41Å; F463-K465 PolarHBondContact O-N 2.78Å; F463-K465 VanDerWaalsContact O-N 3.15Å; K465-R467 PolarHBondContact O-N 2.96Å; K465-Y469 HydrophobicContact CB-CE2 4.46Å
466	N	92.9	Very high	92.4	Very high	37 Å²	37	25 Å²	25	20%	0.198	12%	0.115	C	C	.	.			trans	-92.4	46.4	172.6	61.1	-25.9	0	0	0	110.5	M84 H85 N87	M84-N466 WeakPolarHBondContact CE-ND2 3.41Å; H85-N466 PolarHBondContact N-O 3.25Å; H85-N466 WeakPolarHBondContact O-CB 3.12Å; N87-N466 VanDerWaalsContact C-CB 3.49Å; N87-N466 WeakPolarHBondContact O-CB 3.48Å
467	R	94.5	Very high	91.7	Very high	30 Å²	30	31.8 Å²	31.8	11%	0.113	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.4	-177.7	-73	-177.3	177.2	-101.2	-1.5	112.3	S82 Y83 M84 I89 K465 Y469 F497	S82-R467 PolarHBondContact OG-NH1 2.65Å; Y83-R467 CarbonylContact O-C 3.57Å; Y83-R467 WeakPolarHBondContact O-CA 3.46Å; M84-R467 HydrophobicContact SD-CG 3.68Å; M84-R467 PolarHBondContact SD-NE 3Å; M84-R467 PolarHBondContact SD-NH2 3.42Å; I89-R467 WeakPolarHBondContact CD1-O 3.37Å; K465-R467 PolarHBondContact O-N 2.96Å; R467-Y469 HydrophobicContact CB-CE1 4.32Å; R467-Y469 HydrophobicContact CB-CE2 3.94Å; R467-F497 VanDerWaalsContact NH2-CE1 3.34Å; R467-F497 VanDerWaalsContact NH2-CZ 3.34Å
468	I	95.6	Very high	90.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.7	169.6	-50.6	164.4	0	0	0	107.1	S82 Y83 I89 T102 W112 V459 L470	S82-I468 CarbonylContact C-O 3.42Å; S82-I468 WeakPolarHBondContact CA-O 3.27Å; S82-I468 WeakPolarHBondContact CB-O 3.11Å; Y83-I468 PolarHBondContact N-O 2.82Å; Y83-I468 PolarHBondContact O-N 3.2Å; I89-I468 HydrophobicContact CD1-CB 4.34Å; I89-I468 HydrophobicContact CD1-CD1 4.22Å; I89-I468 HydrophobicContact CD1-CG1 3.24Å; T102-I468 HydrophobicContact CG2-CD1 3.54Å; T102-I468 HydrophobicContact CG2-CG1 4.13Å; W112-I468 HydrophobicContact CD2-CD1 4.47Å; W112-I468 HydrophobicContact CH2-CD1 4.28Å; W112-I468 HydrophobicContact CZ2-CD1 3.57Å; V459-I468 HydrophobicContact CG1-CG2 3.21Å; I468-L470 HydrophobicContact CG2-CD1 4.18Å
469	Y	96.1	Very high	89.1	Confident	8 Å²	8	40.1 Å²	40.1	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.6	-179.7	-54.5	-90	0	0	0	110.1	Y79 L395 F397 V459 C460 A462 K465 R467	Y79-Y469 AromaticContact CD1-CD1 3.77Å; Y79-Y469 HydrophobicContact CD1-CD1 3.77Å; Y79-Y469 HydrophobicContact CD1-CE1 4.43Å; Y79-Y469 HydrophobicContact CD2-CD1 4.02Å; Y79-Y469 AromaticContact CE1-CD1 3.71Å; Y79-Y469 HydrophobicContact CE1-CD1 3.71Å; Y79-Y469 AromaticContact CE1-CE1 3.93Å; Y79-Y469 HydrophobicContact CE1-CE1 3.93Å; Y79-Y469 AromaticContact CE2-CD1 3.96Å; Y79-Y469 HydrophobicContact CE2-CD1 3.96Å; Y79-Y469 HydrophobicContact CE2-CE1 4.41Å; Y79-Y469 AromaticContact CG-CD1 3.91Å; Y79-Y469 HydrophobicContact CG-CD1 3.91Å; Y79-Y469 AromaticContact CZ-CD1 3.78Å; Y79-Y469 AromaticContact CZ-CE1 3.89Å; L395-Y469 HydrophobicContact CD1-CD1 3.99Å; L395-Y469 HydrophobicContact CD1-CE1 3.48Å; L395-Y469 VanDerWaalsContact CD1-CE1 3.48Å; L395-Y469 HydrophobicContact CD1-CE2 4.18Å; F397-Y469 HydrophobicContact CE1-CD2 4.14Å; F397-Y469 HydrophobicContact CE1-CG 4.22Å; V459-Y469 WeakPolarHBondContact CA-O 3.3Å; C460-Y469 PolarHBondContact N-O 2.85Å; C460-Y469 PolarHBondContact O-N 3.45Å; A462-Y469 HydrophobicContact CB-CD2 4.39Å; A462-Y469 HydrophobicContact CB-CE2 3.7Å; K465-Y469 HydrophobicContact CB-CE2 4.46Å; R467-Y469 HydrophobicContact CB-CE1 4.32Å; R467-Y469 HydrophobicContact CB-CE2 3.94Å
470	L	94.7	Very high	86.9	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	-179.6	-78.6	71.6	0	0	0	110.3	Y79 E80 I81 Y83 L120 V457 V459 I468	Y79-L470 CarbonylContact C-O 3.5Å; Y79-L470 WeakPolarHBondContact CA-O 3.36Å; Y79-L470 WeakPolarHBondContact CB-O 3.35Å; E80-L470 PolarHBondContact N-O 2.75Å; I81-L470 HydrophobicContact CG2-CB 3.83Å; I81-L470 HydrophobicContact CG2-CD1 4.39Å; I81-L470 HydrophobicContact CG2-CD2 3.91Å; I81-L470 HydrophobicContact CG2-CG 4.25Å; I81-L470 PolarHBondContact O-N 3.46Å; Y83-L470 HydrophobicContact CD2-CD1 4.03Å; Y83-L470 HydrophobicContact CE2-CD1 4.3Å; L120-L470 HydrophobicContact CD1-CD1 3.85Å; L120-L470 HydrophobicContact CD1-CD2 4.26Å; L120-L470 HydrophobicContact CD2-CD2 3.96Å; L120-L470 HydrophobicContact CG-CD1 4.15Å; L120-L470 HydrophobicContact CG-CD2 3.67Å; L120-L470 HydrophobicContact CG-CG 4.46Å; V457-L470 HydrophobicContact CG1-CB 3.98Å; V457-L470 HydrophobicContact CG1-CD2 3.98Å; V457-L470 HydrophobicContact CG1-CG 3.89Å; V459-L470 HydrophobicContact CG2-CG 4.43Å; I468-L470 HydrophobicContact CG2-CD1 4.18Å
471	F	94.4	Very high	84.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.7	169.6	-72	-90.1	0	0	0	109.7	P74 Q77 Y78 Y79 I375 L389 G390 F397 V457 I458 C460	P74-F471 HydrophobicContact CB-CB 4.39Å; P74-F471 WeakPolarHBondContact CG-O 3.46Å; Q77-F471 WeakPolarHBondContact O-CE1 3.16Å; Y78-F471 WeakPolarHBondContact O-CD1 3.34Å; Y79-F471 VanDerWaalsContact N-CE1 3.31Å; I375-F471 HydrophobicContact CD1-CD2 4.18Å; I375-F471 HydrophobicContact CD1-CE2 3.94Å; L389-F471 HydrophobicContact CB-CD1 3.92Å; L389-F471 HydrophobicContact CB-CE1 4.16Å; L389-F471 HydrophobicContact CB-CG 4.28Å; L389-F471 HydrophobicContact CD1-CB 4.08Å; L389-F471 HydrophobicContact CD1-CG 4.39Å; G390-F471 VanDerWaalsContact N-CE1 3.31Å; F397-F471 AromaticContact CE1-CE2 3.93Å; F397-F471 HydrophobicContact CE1-CE2 3.93Å; F397-F471 HydrophobicContact CE1-CZ 4.19Å; F397-F471 HydrophobicContact CE2-CE2 4.44Å; F397-F471 HydrophobicContact CE2-CZ 4.13Å; F397-F471 AromaticContact CZ-CE2 3.85Å; F397-F471 HydrophobicContact CZ-CE2 3.85Å; F397-F471 AromaticContact CZ-CZ 3.65Å; F397-F471 HydrophobicContact CZ-CZ 3.65Å; V457-F471 WeakPolarHBondContact CA-O 3.39Å; I458-F471 HydrophobicContact CB-CB 4.38Å; I458-F471 PolarHBondContact N-O 3.26Å; I458-F471 PolarHBondContact O-N 3.23Å; C460-F471 WeakPolarHBondContact SG-CE2 3.39Å
472	T	92	Very high	81.3	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.025	29%	0.287	C	S	.	.			trans	-130.8	-156.9	-179.1	76.5	0	0	0	0	110.1	P74 I75 A76 E80 V457 R474	P74-T472 WeakPolarHBondContact CB-O 3.46Å; I75-T472 PolarHBondContact N-O 3.49Å; A76-T472 WeakPolarHBondContact CB-O 3.46Å; A76-T472 PolarHBondContact N-O 3.17Å; E80-T472 HydrophobicContact CB-CG2 4.29Å; E80-T472 VanDerWaalsContact OE2-CB 3.25Å; E80-T472 WeakPolarHBondContact OE2-CB 3.22Å; E80-T472 WeakPolarHBondContact OE2-CG2 3.34Å; E80-T472 PolarHBondContact OE2-OG1 2.94Å; V457-T472 HydrophobicContact CG1-CG2 4.25Å; V457-T472 HydrophobicContact CG2-CG2 3.9Å; T472-R474 PolarHBondContact OG1-N 3.11Å; T472-R474 VanDerWaalsContact OG1-N 3.15Å
473	N	89.8	Confident	78.4	Confident	61 Å²	61	60.7 Å²	60.7	33%	0.326	32%	0.323	S	S	.	.	S	Bend	trans	-90.2	-7.6	173.4	-68.5	-14.4	0	0	0	113.3	P74 I75	P74-N473 WeakPolarHBondContact CA-OD1 3.41Å; I75-N473 PolarHBondContact N-OD1 3.09Å; I75-N473 VanDerWaalsContact N-OD1 3.16Å
474	R	85.4	Confident	75.2	Confident	92 Å²	92	68.2 Å²	68.2	35%	0.347	36%	0.363	S	S	.	.	S	Bend	trans	-102.2	132.3	-176.8	-66.9	-177.5	178	-173.5	-1.2	110.3	A76 T472	A76-R474 WeakPolarHBondContact CB-O 3.25Å; T472-R474 PolarHBondContact OG1-N 3.11Å; T472-R474 VanDerWaalsContact OG1-N 3.15Å
475	E	86.5	Confident	72.3	Confident	47 Å²	47	69.2 Å²	69.2	22%	0.22	38%	0.379	C	S	.	.			trans	-79.7	150.7	169.2	-63.3	-70.7	-176.5	0	0	109.2	A76 Q77 Y78 H477 D478	A76-E475 VanDerWaalsContact CA-OE1 3.3Å; A76-E475 WeakPolarHBondContact CA-OE1 3.25Å; A76-E475 HydrophobicContact CB-CG 4.24Å; Q77-E475 PolarHBondContact N-OE1 3.29Å; Y78-E475 WeakPolarHBondContact CB-OE2 3.19Å; Y78-E475 WeakPolarHBondContact CD2-OE2 3.4Å; Y78-E475 PolarHBondContact N-OE2 3.14Å; Y78-E475 VanDerWaalsContact N-OE2 3.07Å; E475-H477 PolarHBondContact O-N 3.06Å; E475-D478 PolarHBondContact N-OD2 2.85Å; E475-D478 VanDerWaalsContact N-OD2 3.08Å; E475-D478 WeakPolarHBondContact O-CB 3.38Å; E475-D478 PolarHBondContact O-N 2.55Å
476	P	79.1	Confident	69.2	Low	27 Å²	27	71.5 Å²	71.5	18%	0.175	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-57	-25.7	-179.1	-28.2	36.7	0	0	0	114.4	Y79 D478	Y79-P476 WeakPolarHBondContact O-CG 3.41Å; P476-D478 VanDerWaalsContact C-N 3.3Å
477	H	74.6	Confident	66.3	Low	143 Å²	143	75 Å²	75	66%	0.662	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-74.9	-20.2	179.9	-57.6	-54.2	0	0	0	113	E475 V479	E475-H477 PolarHBondContact O-N 3.06Å; H477-V479 VanDerWaalsContact C-N 3.31Å; H477-V479 PolarHBondContact O-N 2.81Å
478	D	71	Confident	63.2	Low	96 Å²	96	79 Å²	79	51%	0.513	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-78.8	-15	-176.1	-59	-29.3	0	0	0	112.7	E475 P476 K480	E475-D478 PolarHBondContact N-OD2 2.85Å; E475-D478 VanDerWaalsContact N-OD2 3.08Å; E475-D478 WeakPolarHBondContact O-CB 3.38Å; E475-D478 PolarHBondContact O-N 2.55Å; P476-D478 VanDerWaalsContact C-N 3.3Å; D478-K480 PolarHBondContact O-N 3.44Å
479	V	60	Low	60.1	Low	84 Å²	84	82.5 Å²	82.5	51%	0.509	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-75	-9.3	-172.2	-172.5	0	0	0	0	113	H477 S481	H477-V479 VanDerWaalsContact C-N 3.31Å; H477-V479 PolarHBondContact O-N 2.81Å; V479-S481 PolarHBondContact O-N 3.4Å
480	K	49.6	Very low	57.2	Low	115 Å²	115	84.4 Å²	84.4	50%	0.5	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-92.3	16.8	-169.9	-68.8	-162.1	173.4	-164.9	0	117.1	D478	D478-K480 PolarHBondContact O-N 3.44Å
481	S	40	Very low	54.9	Low	98 Å²	98	89.3 Å²	89.3	69%	0.685	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-104.1	-1.7	-173.6	59.1	0	0	0	0	117.5	V479	V479-S481 PolarHBondContact O-N 3.4Å
482	D	36.6	Very low	52.6	Low	150 Å²	150	92.5 Å²	92.5	80%	0.802	56%	0.563	S	S	*	*	S	Bend	trans	-111.2	86.3	180	-73.3	-17.8	0	0	0	112.2
483	G	33.7	Very low	51.4	Low	74 Å²	74	98.9 Å²	98.9	76%	0.763	59%	0.592	S	S	*	*	S	Bend	trans	94.1	106.2	159.6	0	0	0	0	0	117.8
484	D	28.9	Very low	51	Low	162 Å²	162	98.5 Å²	98.5	87%	0.866	59%	0.586	S	S	*	*	S	Bend	trans	59.9	126.9	160.1	-82.6	-19.3	0	0	0	122.2
485	T	30.1	Very low	51	Low	131 Å²	131	95.9 Å²	95.9	80%	0.804	58%	0.579	S	S	*	*			trans	70	89.5	169.4	31.6	0	0	0	0	118.6	T487	T485-T487 PolarHBondContact O-N 2.74Å
486	V	28.6	Very low	50.9	Low	141 Å²	141	95.7 Å²	95.7	86%	0.855	58%	0.581	S	S	*	*			trans	-58.1	100.2	161	-179.4	0	0	0	0	110
487	T	30.7	Very low	51	Low	109 Å²	109	101.4 Å²	101.4	67%	0.669	60%	0.603	S	S	*	*			trans	-109.4	113.9	150.4	51.4	0	0	0	0	108.6	T485 G489	T485-T487 PolarHBondContact O-N 2.74Å; T487-G489 PolarHBondContact O-N 2.95Å
488	S	29.9	Very low	51.5	Low	116 Å²	116	97.5 Å²	97.5	81%	0.811	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	129.8	175.8	-51	0	0	0	0	110.4
489	G	29.6	Very low	51.8	Low	72 Å²	72	95.1 Å²	95.1	74%	0.742	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.7	17	155.3	0	0	0	0	0	120.7	T487 T491	T487-G489 PolarHBondContact O-N 2.95Å; G489-T491 PolarHBondContact O-N 2.9Å
490	S	36.1	Very low	52.3	Low	48 Å²	48	100.7 Å²	100.7	34%	0.336	59%	0.59	S	S	.	*			trans	-88.3	96.8	172.1	179.9	0	0	0	0	112.3	A492	S490-A492 PolarHBondContact O-N 3.34Å; S490-A492 WeakPolarHBondContact OG-CB 3.08Å; S490-A492 PolarHBondContact OG-N 2.78Å
491	T	45.4	Very low	53	Low	106 Å²	106	99 Å²	99	65%	0.65	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-1.7	155.9	51.2	0	0	0	0	111.8	G489 R494	G489-T491 PolarHBondContact O-N 2.9Å; T491-R494 WeakPolarHBondContact O-CG 3.41Å
492	A	46.9	Very low	54.2	Low	67 Å²	67	96.5 Å²	96.5	55%	0.554	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-16	-173.7	0	0	0	0	0	113.4	S490	S490-A492 PolarHBondContact O-N 3.34Å; S490-A492 WeakPolarHBondContact OG-CB 3.08Å; S490-A492 PolarHBondContact OG-N 2.78Å
493	E	66.2	Low	55.5	Low	138 Å²	138	98.1 Å²	98.1	65%	0.645	57%	0.572	S	S	*	*	S	Bend	trans	-79.7	-25.5	179.7	-73.9	171.4	175.1	0	0	113.4	D495	E493-D495 VanDerWaalsContact C-N 3.32Å; E493-D495 PolarHBondContact O-N 2.79Å
494	R	81.7	Confident	56.9	Low	53 Å²	53	102.2 Å²	102.2	20%	0.2	57%	0.571	C	S	.	*	S	Bend	trans	-73	-26.1	178.2	79	-177.3	-170	158.2	4.5	113	Y79 E80 I81 S82 E393 T491	Y79-R494 VanDerWaalsContact CE1-CZ 3.45Å; Y79-R494 VanDerWaalsContact CE1-NH2 3.27Å; Y79-R494 HydrophobicContact CE2-CG 3.83Å; Y79-R494 VanDerWaalsContact CZ-NE 3.29Å; Y79-R494 PolarHBondContact OH-NE 3.03Å; Y79-R494 PolarHBondContact OH-NH2 3.3Å; E80-R494 WeakPolarHBondContact O-CB 3.47Å; I81-R494 CarbonylContact C-O 3.54Å; I81-R494 VanDerWaalsContact CA-O 3.25Å; I81-R494 WeakPolarHBondContact CA-O 3.49Å; I81-R494 WeakPolarHBondContact CG1-O 3.33Å; S82-R494 PolarHBondContact N-O 2.95Å; E393-R494 IonicContact OE1-CZ 3.55Å; E393-R494 IonicContact OE1-NH1 2.68Å; E393-R494 PolarHBondContact OE1-NH1 3.17Å; E393-R494 IonicContact OE1-NH2 3.51Å; E393-R494 PolarHBondContact OE1-NH2 3.33Å; E393-R494 IonicContact OE2-NH1 3.76Å; E393-R494 IonicContact OE2-NH2 2.55Å; E393-R494 PolarHBondContact OE2-NH2 2.96Å; T491-R494 WeakPolarHBondContact O-CG 3.41Å
495	D	85.6	Confident	58.4	Low	37 Å²	37	97.8 Å²	97.8	20%	0.198	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	90.2	-173.7	-75.7	-24	0	0	0	109.9	Y79 S82 E493 F497	Y79-D495 VanDerWaalsContact CE2-OD1 3.27Å; Y79-D495 WeakPolarHBondContact CE2-OD1 3.21Å; Y79-D495 PolarHBondContact OH-OD1 3.47Å; Y79-D495 PolarHBondContact OH-OD2 3.34Å; S82-D495 WeakPolarHBondContact CB-OD1 3.47Å; S82-D495 WeakPolarHBondContact OG-CA 3.45Å; S82-D495 PolarHBondContact OG-OD1 3.19Å; E493-D495 VanDerWaalsContact C-N 3.32Å; E493-D495 PolarHBondContact O-N 2.79Å; D495-F497 WeakPolarHBondContact O-CD2 2.76Å; D495-F497 WeakPolarHBondContact O-CE2 3.13Å; D495-F497 PolarHBondContact O-N 3.02Å
496	V	84.6	Confident	59.9	Low	42 Å²	42	94.8 Å²	94.8	26%	0.255	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.5	-175.6	-175.2	0	0	0	0	110.8	I81 S82 Y83 N498	I81-V496 HydrophobicContact CD1-CG2 3.53Å; I81-V496 HydrophobicContact CG1-CG2 3.56Å; S82-V496 WeakPolarHBondContact O-CA 3.34Å; S82-V496 VanDerWaalsContact O-CB 3.3Å; S82-V496 WeakPolarHBondContact O-CB 3.35Å; S82-V496 PolarHBondContact O-N 3.14Å; Y83-V496 HydrophobicContact CD1-CB 4.02Å; Y83-V496 HydrophobicContact CD1-CG1 4.1Å; Y83-V496 HydrophobicContact CD1-CG2 4.48Å; Y83-V496 HydrophobicContact CE1-CB 4.07Å; Y83-V496 HydrophobicContact CE1-CG1 3.99Å; Y83-V496 HydrophobicContact CE1-CG2 4.13Å; V496-N498 HydrophobicContact CG1-CB 4.15Å; V496-N498 PolarHBondContact O-N 2.94Å; V496-N498 PolarHBondContact O-OD1 2.83Å
497	F	82.2	Confident	61.3	Low	148 Å²	148	93.6 Å²	93.6	65%	0.649	52%	0.515	S	S	*	.			trans	-92.9	74.9	171.4	-71	-91.7	0	0	0	110.2	R467 D495 E499	R467-F497 VanDerWaalsContact NH2-CE1 3.34Å; R467-F497 VanDerWaalsContact NH2-CZ 3.34Å; D495-F497 WeakPolarHBondContact O-CD2 2.76Å; D495-F497 WeakPolarHBondContact O-CE2 3.13Å; D495-F497 PolarHBondContact O-N 3.02Å; F497-E499 VanDerWaalsContact C-N 3.34Å
498	N	84.3	Confident	62.5	Low	61 Å²	61	90.3 Å²	90.3	33%	0.326	50%	0.499	S	S	.	.			trans	-81.8	-9.2	178.8	59.7	-57.6	0	0	0	113.8	Y83 M84 V496	Y83-N498 HydrophobicContact CD1-CB 4.42Å; M84-N498 WeakPolarHBondContact CA-OD1 3.39Å; M84-N498 WeakPolarHBondContact CB-OD1 3.47Å; M84-N498 PolarHBondContact N-OD1 2.76Å; M84-N498 PolarHBondContact O-ND2 3.35Å; M84-N498 VanDerWaalsContact O-ND2 3.14Å; M84-N498 PolarHBondContact O-OD1 3.5Å; V496-N498 HydrophobicContact CG1-CB 4.15Å; V496-N498 PolarHBondContact O-N 2.94Å; V496-N498 PolarHBondContact O-OD1 2.83Å
499	E	77.9	Confident	63.7	Low	46 Å²	46	87.1 Å²	87.1	22%	0.215	48%	0.479	C	S	.	.	S	Bend	trans	-115	141	176.5	-63.3	-164.1	-144	0	0	110.5	M84 H85 R86 K110 F497 P501	M84-E499 HydrophobicContact CB-CB 4.31Å; M84-E499 HydrophobicContact CB-CG 4.25Å; M84-E499 VanDerWaalsContact O-OE1 3.12Å; H85-E499 WeakPolarHBondContact CA-OE1 3.34Å; R86-E499 PolarHBondContact N-OE1 3.46Å; K110-E499 IonicContact NZ-OE1 3.55Å; K110-E499 PolarHBondContact NZ-OE1 2.79Å; K110-E499 IonicContact NZ-OE2 3.46Å; F497-E499 VanDerWaalsContact C-N 3.34Å; E499-P501 WeakPolarHBondContact O-CD 3.34Å
500	K	69.7	Low	64.6	Low	200 Å²	200	86.5 Å²	86.5	87%	0.87	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-70	124.6	168.4	-70.9	-176.9	180	179.4	0	107.7	T502	K500-T502 PolarHBondContact O-N 2.91Å
501	P	65.2	Low	64.9	Low	79 Å²	79	93.2 Å²	93.2	51%	0.513	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-57	139.2	178.4	10.5	-14.8	0	0	0	109.8	E499 E505 V506	E499-P501 WeakPolarHBondContact O-CD 3.34Å; P501-E505 HydrophobicContact CB-CB 4.37Å; P501-V506 HydrophobicContact CB-CG2 3.79Å; P501-V506 HydrophobicContact CG-CG2 3.91Å
502	T	64	Low	64.5	Low	47 Å²	47	93.4 Å²	93.4	29%	0.288	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-62.6	154.1	179.4	58.2	0	0	0	0	110	K500 E504 E505 V506	K500-T502 PolarHBondContact O-N 2.91Å; T502-E504 PolarHBondContact O-N 3.19Å; T502-E504 VanDerWaalsContact O-N 3.14Å; T502-E505 WeakPolarHBondContact CB-OE2 3.3Å; T502-E505 PolarHBondContact N-OE2 2.98Å; T502-E505 CarbonylContact O-C 3.5Å; T502-E505 PolarHBondContact O-N 3Å; T502-E505 WeakPolarHBondContact OG1-CB 3.17Å; T502-E505 WeakPolarHBondContact OG1-CG 3.27Å; T502-E505 PolarHBondContact OG1-N 2.82Å; T502-E505 PolarHBondContact OG1-OE2 3.19Å; T502-V506 WeakPolarHBondContact O-CG2 3.46Å; T502-V506 PolarHBondContact O-N 3.29Å
503	K	63.5	Low	64.2	Low	184 Å²	184	94.5 Å²	94.5	80%	0.8	48%	0.48	S	S	*	.	H	α-helix	trans	-54.4	-36.8	179.2	-73.2	-174.9	178.1	-177.6	0	112	V506 L507	K503-V506 PolarHBondContact O-N 2.81Å; K503-L507 WeakPolarHBondContact O-CB 3.5Å; K503-L507 WeakPolarHBondContact O-CD1 3.44Å; K503-L507 WeakPolarHBondContact O-CG 3.38Å; K503-L507 PolarHBondContact O-N 3.35Å
504	E	63.4	Low	62.9	Low	159 Å²	159	88.8 Å²	88.8	74%	0.743	46%	0.456	S	S	*	.	H	α-helix	trans	-67.3	-41.9	175.5	-69.4	177.4	-178.8	0	0	112.5	T502 L507 A508	T502-E504 PolarHBondContact O-N 3.19Å; T502-E504 VanDerWaalsContact O-N 3.14Å; E504-L507 CarbonylContact O-C 3.48Å; E504-L507 PolarHBondContact O-N 3.36Å; E504-A508 WeakPolarHBondContact O-CB 3.25Å; E504-A508 PolarHBondContact O-N 3.11Å
505	E	60.1	Low	60.8	Low	69 Å²	69	90.9 Å²	90.9	32%	0.322	48%	0.475	S	S	.	.	H	α-helix	trans	-70.6	-33	174.1	-73.5	166.8	144.1	0	0	112.7	P501 T502 L507 A508 A509	P501-E505 HydrophobicContact CB-CB 4.37Å; T502-E505 WeakPolarHBondContact CB-OE2 3.3Å; T502-E505 PolarHBondContact N-OE2 2.98Å; T502-E505 CarbonylContact O-C 3.5Å; T502-E505 PolarHBondContact O-N 3Å; T502-E505 WeakPolarHBondContact OG1-CB 3.17Å; T502-E505 WeakPolarHBondContact OG1-CG 3.27Å; T502-E505 PolarHBondContact OG1-N 2.82Å; T502-E505 PolarHBondContact OG1-OE2 3.19Å; E505-L507 VanDerWaalsContact C-N 3.35Å; E505-A508 PolarHBondContact O-N 2.9Å; E505-A509 WeakPolarHBondContact O-CA 3.29Å; E505-A509 WeakPolarHBondContact O-CB 3.33Å; E505-A509 PolarHBondContact O-N 3.48Å
506	V	61.9	Low	58.3	Low	68 Å²	68	93.6 Å²	93.6	41%	0.412	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-48	170.4	176.8	0	0	0	0	108.4	P501 T502 K503 A508 A509 T510	P501-V506 HydrophobicContact CB-CG2 3.79Å; P501-V506 HydrophobicContact CG-CG2 3.91Å; T502-V506 WeakPolarHBondContact O-CG2 3.46Å; T502-V506 PolarHBondContact O-N 3.29Å; K503-V506 PolarHBondContact O-N 2.81Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 3.46Å; V506-A509 PolarHBondContact O-N 2.98Å; V506-T510 WeakPolarHBondContact O-CB 3.41Å; V506-T510 PolarHBondContact O-N 3.03Å; V506-T510 PolarHBondContact O-OG1 3.3Å
507	L	59.1	Low	55.9	Low	116 Å²	116	93.9 Å²	93.9	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-38.4	176.1	-71.7	163.1	0	0	0	112.5	K503 E504 E505 R511	K503-L507 WeakPolarHBondContact O-CB 3.5Å; K503-L507 WeakPolarHBondContact O-CD1 3.44Å; K503-L507 WeakPolarHBondContact O-CG 3.38Å; K503-L507 PolarHBondContact O-N 3.35Å; E504-L507 CarbonylContact O-C 3.48Å; E504-L507 PolarHBondContact O-N 3.36Å; E505-L507 VanDerWaalsContact C-N 3.35Å; L507-R511 WeakPolarHBondContact O-CG 3.25Å; L507-R511 PolarHBondContact O-N 3.08Å
508	A	56.3	Low	54.2	Low	41 Å²	41	89.7 Å²	89.7	34%	0.339	50%	0.498	S	S	.	.	H	α-helix	trans	-75.7	-39.4	178.8	0	0	0	0	0	112.4	E504 E505 V506 T510 R511 D512	E504-A508 WeakPolarHBondContact O-CB 3.25Å; E504-A508 PolarHBondContact O-N 3.11Å; E505-A508 PolarHBondContact O-N 2.9Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 3.46Å; A508-T510 VanDerWaalsContact C-N 3.28Å; A508-T510 PolarHBondContact O-N 3.12Å; A508-R511 CarbonylContact O-C 3.54Å; A508-R511 VanDerWaalsContact O-CA 3.31Å; A508-R511 WeakPolarHBondContact O-CA 3.34Å; A508-R511 VanDerWaalsContact O-CB 3.29Å; A508-R511 WeakPolarHBondContact O-CB 3.42Å; A508-R511 PolarHBondContact O-N 3.45Å; A508-D512 WeakPolarHBondContact O-CB 3.42Å; A508-D512 PolarHBondContact O-N 3.32Å
509	A	53.7	Low	52.8	Low	48 Å²	48	91.3 Å²	91.3	40%	0.397	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-36.2	171.3	0	0	0	0	0	110.4	E505 V506 R511 D512 S513	E505-A509 WeakPolarHBondContact O-CA 3.29Å; E505-A509 WeakPolarHBondContact O-CB 3.33Å; E505-A509 PolarHBondContact O-N 3.48Å; V506-A509 PolarHBondContact O-N 2.98Å; A509-R511 PolarHBondContact O-N 3.34Å; A509-D512 PolarHBondContact O-N 3.14Å; A509-S513 WeakPolarHBondContact O-CB 3.23Å; A509-S513 PolarHBondContact O-N 3.34Å; A509-S513 PolarHBondContact O-OG 3.15Å; A509-S513 VanDerWaalsContact O-OG 3.06Å
510	T	49.6	Very low	52.1	Low	60 Å²	60	91.6 Å²	91.6	37%	0.368	50%	0.503	S	S	.	.	H	α-helix	trans	-64.5	-29.3	170.2	-40.5	0	0	0	0	111.2	V506 A508 A514	V506-T510 WeakPolarHBondContact O-CB 3.41Å; V506-T510 PolarHBondContact O-N 3.03Å; V506-T510 PolarHBondContact O-OG1 3.3Å; A508-T510 VanDerWaalsContact C-N 3.28Å; A508-T510 PolarHBondContact O-N 3.12Å; T510-A514 WeakPolarHBondContact O-CB 3.4Å
511	R	41.7	Very low	52.3	Low	189 Å²	189	82.1 Å²	82.1	71%	0.713	46%	0.461	S	S	*	.	H	α-helix	trans	-78.5	-38.7	172	-77.5	177.9	173	171.1	-1	113.7	L507 A508 A509 T515	L507-R511 WeakPolarHBondContact O-CG 3.25Å; L507-R511 PolarHBondContact O-N 3.08Å; A508-R511 CarbonylContact O-C 3.54Å; A508-R511 VanDerWaalsContact O-CA 3.31Å; A508-R511 WeakPolarHBondContact O-CA 3.34Å; A508-R511 VanDerWaalsContact O-CB 3.29Å; A508-R511 WeakPolarHBondContact O-CB 3.42Å; A508-R511 PolarHBondContact O-N 3.45Å; A509-R511 PolarHBondContact O-N 3.34Å; R511-T515 PolarHBondContact O-OG1 2.76Å
512	D	38.1	Very low	53.2	Low	110 Å²	110	79.3 Å²	79.3	59%	0.588	45%	0.447	S	S	*	.	H	α-helix	trans	-88	-36.8	-173	-76.6	-12.9	0	0	0	112.9	A508 A509 A514 T515 A516	A508-D512 WeakPolarHBondContact O-CB 3.42Å; A508-D512 PolarHBondContact O-N 3.32Å; A509-D512 PolarHBondContact O-N 3.14Å; D512-A514 PolarHBondContact O-N 2.97Å; D512-T515 PolarHBondContact O-N 3.28Å; D512-A516 PolarHBondContact O-N 2.96Å
513	S	40.5	Very low	54.5	Low	89 Å²	89	78.7 Å²	78.7	62%	0.622	45%	0.445	S	S	*	.	H	α-helix	trans	-64.8	-24.8	169.4	-60.8	0	0	0	0	112	A509 T515	A509-S513 WeakPolarHBondContact O-CB 3.23Å; A509-S513 PolarHBondContact O-N 3.34Å; A509-S513 PolarHBondContact O-OG 3.15Å; A509-S513 VanDerWaalsContact O-OG 3.06Å; S513-T515 VanDerWaalsContact C-N 3.31Å
514	A	37.9	Very low	56	Low	18 Å²	18	70 Å²	70	15%	0.149	41%	0.407	C	S	.	.	H	α-helix	trans	-70.8	-28.4	167.5	0	0	0	0	0	111	T510 D512 R519	T510-A514 WeakPolarHBondContact O-CB 3.4Å; D512-A514 PolarHBondContact O-N 2.97Å; A514-R519 HydrophobicContact CB-CG 4.09Å; A514-R519 VanDerWaalsContact CB-NE 3.33Å; A514-R519 VanDerWaalsContact O-CD 3.25Å; A514-R519 WeakPolarHBondContact O-CD 3.46Å; A514-R519 WeakPolarHBondContact O-CG 3.3Å; A514-R519 PolarHBondContact O-NE 3.26Å
515	T	37.7	Very low	57.5	Low	97 Å²	97	63.3 Å²	63.3	60%	0.595	38%	0.376	S	S	*	.	H	α-helix	trans	-88.7	-15.6	-170.1	-42.8	0	0	0	0	114.6	R511 D512 S513 R519	R511-T515 PolarHBondContact O-OG1 2.76Å; D512-T515 PolarHBondContact O-N 3.28Å; S513-T515 VanDerWaalsContact C-N 3.31Å; T515-R519 PolarHBondContact OG1-NH2 2.63Å
516	A	33.3	Very low	59.3	Low	95 Å²	95	60 Å²	60	79%	0.785	36%	0.361	S	S	*	.	H	α-helix	trans	-107.4	-13.6	-169.5	0	0	0	0	0	117.3	D512	D512-A516 PolarHBondContact O-N 2.96Å
517	A	34.3	Very low	60.9	Low	47 Å²	47	58.7 Å²	58.7	39%	0.388	35%	0.35	S	S	.	.	S	Bend	trans	-139.9	107.1	173.8	0	0	0	0	0	109.2	R519 R554	A517-R519 PolarHBondContact O-N 2.76Å; A517-R519 VanDerWaalsContact O-N 3.11Å; A517-R554 PolarHBondContact O-NH1 3.36Å; A517-R554 VanDerWaalsContact O-NH1 3.17Å
518	S	46.9	Very low	62.6	Low	61 Å²	61	53.5 Å²	53.5	43%	0.427	32%	0.323	S	S	.	.			trans	-7.8	101.1	-176.9	-173.1	0	0	0	0	113.1	L520 R554	S518-L520 PolarHBondContact O-N 2.93Å; S518-L520 PolarHBondContact OG-O 3.5Å; S518-R554 PolarHBondContact O-NH2 3.24Å
519	R	54.7	Low	64.4	Low	95 Å²	95	54.9 Å²	54.9	36%	0.358	33%	0.327	S	S	.	.	S	Bend	trans	-55.2	-16.8	178.2	-56.4	-176.1	-168.6	-158.8	0.3	113.2	A514 T515 A517 E547	A514-R519 HydrophobicContact CB-CG 4.09Å; A514-R519 VanDerWaalsContact CB-NE 3.33Å; A514-R519 VanDerWaalsContact O-CD 3.25Å; A514-R519 WeakPolarHBondContact O-CD 3.46Å; A514-R519 WeakPolarHBondContact O-CG 3.3Å; A514-R519 PolarHBondContact O-NE 3.26Å; T515-R519 PolarHBondContact OG1-NH2 2.63Å; A517-R519 PolarHBondContact O-N 2.76Å; A517-R519 VanDerWaalsContact O-N 3.11Å; R519-E547 HydrophobicContact CB-CG 4.32Å; R519-E547 VanDerWaalsContact CD-OE1 3.25Å; R519-E547 WeakPolarHBondContact CD-OE1 3.49Å; R519-E547 IonicContact NH1-OE1 2.7Å; R519-E547 PolarHBondContact NH1-OE1 3.39Å
520	L	63.6	Low	66.3	Low	52 Å²	52	56.1 Å²	56.1	27%	0.272	33%	0.327	S	S	.	.			trans	-115.1	116.4	-173.8	-64.6	172.1	0	0	0	107.6	S518 P539 P543 V546	S518-L520 PolarHBondContact O-N 2.93Å; S518-L520 PolarHBondContact OG-O 3.5Å; L520-P539 HydrophobicContact CB-CB 3.58Å; L520-P539 HydrophobicContact CB-CG 4.4Å; L520-P539 HydrophobicContact CD1-CB 4.04Å; L520-P539 HydrophobicContact CD2-CB 3.6Å; L520-P539 HydrophobicContact CG-CB 3.9Å; L520-P543 HydrophobicContact CD2-CB 4.44Å; L520-V546 HydrophobicContact CD2-CB 4.15Å; L520-V546 HydrophobicContact CD2-CG1 4.04Å
521	A	73	Confident	68.4	Low	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.6	172	0	0	0	0	0	109.5	L537 V550 V675 K676	A521-L537 HydrophobicContact CB-CD1 4.35Å; A521-V550 HydrophobicContact CB-CG1 4.43Å; A521-V550 HydrophobicContact CB-CG2 3.75Å; A521-V675 HydrophobicContact CB-CG1 3.14Å; A521-K676 WeakPolarHBondContact CB-O 3.4Å
522	G	83.9	Confident	70.9	Confident	21 Å²	21	48.8 Å²	48.8	22%	0.216	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-20.6	178.4	0	0	0	0	0	113	L537 K676	G522-L537 PolarHBondContact O-N 3.37Å; G522-K676 PolarHBondContact N-O 2.78Å
523	S	91.7	Very high	73.7	Confident	34 Å²	34	43.6 Å²	43.6	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	155.8	-179.5	62.7	0	0	0	0	112.8	I535 K676	S523-I535 CarbonylContact C-O 3.53Å; S523-I535 WeakPolarHBondContact CA-O 3.23Å; S523-I535 VanDerWaalsContact CB-O 3.31Å; S523-I535 WeakPolarHBondContact CB-O 3.26Å; S523-K676 PolarHBondContact O-N 3.17Å; S523-K676 WeakPolarHBondContact OG-CB 3.49Å
524	A	94.7	Very high	76.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.4	173.7	0	0	0	0	0	110.4	I535 L537 F549 V673 T674	A524-I535 PolarHBondContact N-O 2.9Å; A524-I535 PolarHBondContact O-N 3.34Å; A524-L537 HydrophobicContact CB-CD1 4.2Å; A524-F549 HydrophobicContact CB-CE1 3.73Å; A524-F549 HydrophobicContact CB-CZ 4.37Å; A524-V673 HydrophobicContact CB-CG1 4.24Å; A524-T674 CarbonylContact C-O 3.48Å; A524-T674 VanDerWaalsContact CA-O 3.32Å; A524-T674 WeakPolarHBondContact CA-O 3.18Å
525	I	95.7	Very high	79.2	Confident	18 Å²	18	40.7 Å²	40.7	9%	0.092	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117	176.1	-50.3	175.2	0	0	0	107.1	D532 I533 H534 V673 T674	I525-D532 HydrophobicContact CG2-CB 4.04Å; I525-I533 WeakPolarHBondContact CA-O 3.32Å; I525-H534 VanDerWaalsContact CD1-CE1 3.49Å; I525-H534 WeakPolarHBondContact CD1-CE1 3.25Å; I525-V673 CarbonylContact O-C 3.59Å; I525-V673 WeakPolarHBondContact O-CA 3.34Å; I525-T674 PolarHBondContact N-O 3.23Å; I525-T674 PolarHBondContact O-N 3.47Å
526	L	96.5	Very high	81.9	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.6	168.3	-70.7	109.8	0	0	0	109.1	T528 D532 I533 I535 F622 I670 V673	L526-T528 HydrophobicContact CB-CG2 4.32Å; L526-D532 CarbonylContact O-C 3.59Å; L526-D532 WeakPolarHBondContact O-CA 3.25Å; L526-I533 HydrophobicContact CB-CB 4.34Å; L526-I533 PolarHBondContact N-O 3.37Å; L526-I533 PolarHBondContact O-N 2.81Å; L526-I535 HydrophobicContact CD1-CD1 3.12Å; L526-I535 HydrophobicContact CD1-CG1 3.95Å; L526-F622 HydrophobicContact CD2-CZ 3.89Å; L526-I670 HydrophobicContact CD2-CD1 3.61Å; L526-I670 HydrophobicContact CD2-CG1 3.96Å; L526-I670 HydrophobicContact CD2-CG2 4.28Å; L526-V673 HydrophobicContact CD2-CG2 4.05Å; L526-V673 HydrophobicContact CG-CG1 4.43Å; L526-V673 HydrophobicContact CG-CG2 4.13Å
527	H	96	Very high	84.7	Confident	40 Å²	40	39.1 Å²	39.1	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	110.7	169.3	-58.9	-68.7	0	0	0	107.6	D532 I670 I671 S672 T674	H527-D532 IonicContact CE1-OD1 2.65Å; H527-D532 IonicContact CE1-OD2 2.62Å; H527-D532 IonicContact CG-OD1 3.64Å; H527-D532 IonicContact ND1-OD1 2.78Å; H527-D532 PolarHBondContact ND1-OD1 3.44Å; H527-D532 IonicContact ND1-OD2 3.37Å; H527-D532 PolarHBondContact ND1-OD2 3.48Å; H527-I670 CarbonylContact O-C 3.54Å; H527-I671 HydrophobicContact CB-CB 4.33Å; H527-I671 WeakPolarHBondContact O-CB 3.49Å; H527-I671 PolarHBondContact O-N 3.35Å; H527-S672 WeakPolarHBondContact CB-O 3.27Å; H527-S672 PolarHBondContact CD2-OG 3.39Å; H527-S672 VanDerWaalsContact CD2-OG 3.32Å; H527-S672 PolarHBondContact N-O 2.91Å; H527-S672 PolarHBondContact O-N 2.87Å; H527-T674 PolarHBondContact CD2-OG1 3.02Å; H527-T674 PolarHBondContact NE2-OG1 3.48Å
528	T	95.8	Very high	87.4	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	164.4	178.3	76.6	0	0	0	0	110.4	L526 L530 G531 I533 F563 N669	L526-T528 HydrophobicContact CB-CG2 4.32Å; T528-L530 PolarHBondContact O-N 2.9Å; T528-L530 VanDerWaalsContact O-N 3.08Å; T528-L530 PolarHBondContact OG1-N 3.01Å; T528-G531 WeakPolarHBondContact CB-O 3.41Å; T528-G531 PolarHBondContact N-O 3.37Å; T528-G531 PolarHBondContact O-N 3.47Å; T528-G531 PolarHBondContact OG1-N 3.03Å; T528-G531 PolarHBondContact OG1-O 3.02Å; T528-I533 HydrophobicContact CG2-CD1 3.99Å; T528-F563 HydrophobicContact CG2-CE2 4.01Å; T528-F563 HydrophobicContact CG2-CZ 4.24Å; T528-N669 WeakPolarHBondContact CA-O 3.28Å
529	T	93.3	Very high	89.4	Confident	70 Å²	70	36 Å²	36	43%	0.429	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.4	175.1	43.4	0	0	0	0	114.8	N669 I671	T529-N669 WeakPolarHBondContact CG2-OD1 3.3Å; T529-N669 PolarHBondContact N-O 3.33Å; T529-N669 VanDerWaalsContact N-O 3.08Å; T529-N669 PolarHBondContact OG1-N 3.12Å; T529-N669 PolarHBondContact OG1-OD1 3.42Å; T529-I671 HydrophobicContact CG2-CD1 4.32Å; T529-I671 HydrophobicContact CG2-CG1 4.23Å
530	L	92.7	Very high	90.7	Very high	74 Å²	74	41.4 Å²	41.4	39%	0.387	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	4.2	176.5	-66.8	179.3	0	0	0	114.1	T528 V648 I652 I655 V668	T528-L530 PolarHBondContact O-N 2.9Å; T528-L530 VanDerWaalsContact O-N 3.08Å; T528-L530 PolarHBondContact OG1-N 3.01Å; L530-V648 HydrophobicContact CB-CG1 4.34Å; L530-I652 HydrophobicContact CB-CG1 4.43Å; L530-I652 HydrophobicContact CD1-CG1 3.91Å; L530-I655 HydrophobicContact CD1-CD1 3.54Å; L530-I655 HydrophobicContact CD1-CG1 4.43Å; L530-V668 HydrophobicContact CD1-CG1 4.28Å; L530-V668 HydrophobicContact CD1-CG2 3.78Å; L530-V668 HydrophobicContact CG-CG1 4.38Å; L530-V668 HydrophobicContact CG-CG2 4.38Å
531	G	94.7	Very high	91.9	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.5	-172.7	177.9	0	0	0	0	0	113.7	T528	T528-G531 WeakPolarHBondContact CB-O 3.41Å; T528-G531 PolarHBondContact N-O 3.37Å; T528-G531 PolarHBondContact O-N 3.47Å; T528-G531 PolarHBondContact OG1-N 3.03Å; T528-G531 PolarHBondContact OG1-O 3.02Å
532	D	94.6	Very high	92.7	Very high	69 Å²	69	40.7 Å²	40.7	37%	0.369	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.5	-172.5	-66.9	-12	0	0	0	112.6	I525 L526 H527 G645	I525-D532 HydrophobicContact CG2-CB 4.04Å; L526-D532 CarbonylContact O-C 3.59Å; L526-D532 WeakPolarHBondContact O-CA 3.25Å; H527-D532 IonicContact CE1-OD1 2.65Å; H527-D532 IonicContact CE1-OD2 2.62Å; H527-D532 IonicContact CG-OD1 3.64Å; H527-D532 IonicContact ND1-OD1 2.78Å; H527-D532 PolarHBondContact ND1-OD1 3.44Å; H527-D532 IonicContact ND1-OD2 3.37Å; H527-D532 PolarHBondContact ND1-OD2 3.48Å; D532-G645 WeakPolarHBondContact O-CA 3.42Å
533	I	97.3	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.5	174.2	-55.7	166.6	0	0	0	108.1	I525 L526 T528 I535 I624 V642 V648 V649 I652	I525-I533 WeakPolarHBondContact CA-O 3.32Å; L526-I533 HydrophobicContact CB-CB 4.34Å; L526-I533 PolarHBondContact N-O 3.37Å; L526-I533 PolarHBondContact O-N 2.81Å; T528-I533 HydrophobicContact CG2-CD1 3.99Å; I533-I535 HydrophobicContact CG2-CG1 4.21Å; I533-I624 HydrophobicContact CD1-CD1 4.5Å; I533-I624 HydrophobicContact CG2-CD1 4.3Å; I533-V642 HydrophobicContact CG2-CB 4.38Å; I533-V642 HydrophobicContact CG2-CG1 3.67Å; I533-V642 HydrophobicContact CG2-CG2 3.82Å; I533-V648 HydrophobicContact CD1-CG1 4.31Å; I533-V648 HydrophobicContact CG1-CB 4.12Å; I533-V648 HydrophobicContact CG1-CG1 3.94Å; I533-V649 HydrophobicContact CD1-CG2 3.85Å; I533-V649 HydrophobicContact CG1-CG2 4.01Å; I533-V649 HydrophobicContact CG2-CG2 3.86Å; I533-I652 HydrophobicContact CD1-CD1 3.99Å
534	H	96.4	Very high	92.8	Very high	47 Å²	47	45 Å²	45	22%	0.218	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.9	177.3	-65.4	-111	0	0	0	110.3	I525 V642 I643 K644	I525-H534 VanDerWaalsContact CD1-CE1 3.49Å; I525-H534 WeakPolarHBondContact CD1-CE1 3.25Å; H534-V642 CarbonylContact O-C 3.41Å; H534-V642 VanDerWaalsContact O-CA 3.31Å; H534-V642 WeakPolarHBondContact O-CA 3.34Å; H534-V642 WeakPolarHBondContact O-CG1 3.45Å; H534-I643 HydrophobicContact CB-CD1 4.37Å; H534-I643 HydrophobicContact CB-CG1 3.86Å; H534-I643 WeakPolarHBondContact O-CG1 3.3Å; H534-I643 PolarHBondContact O-N 2.85Å; H534-K644 HydrophobicContact CB-CB 3.86Å; H534-K644 PolarHBondContact N-O 2.86Å
535	I	96.4	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.9	-179.4	-59.1	179	0	0	0	109.5	S523 A524 L526 I533 L537 V608 I624 R641 V642	S523-I535 CarbonylContact C-O 3.53Å; S523-I535 WeakPolarHBondContact CA-O 3.23Å; S523-I535 VanDerWaalsContact CB-O 3.31Å; S523-I535 WeakPolarHBondContact CB-O 3.26Å; A524-I535 PolarHBondContact N-O 2.9Å; A524-I535 PolarHBondContact O-N 3.34Å; L526-I535 HydrophobicContact CD1-CD1 3.12Å; L526-I535 HydrophobicContact CD1-CG1 3.95Å; I533-I535 HydrophobicContact CG2-CG1 4.21Å; I535-L537 HydrophobicContact CG2-CD2 3.89Å; I535-V608 HydrophobicContact CD1-CG1 4.28Å; I535-V608 HydrophobicContact CD1-CG2 3.92Å; I535-V608 HydrophobicContact CG1-CG2 4.25Å; I535-V608 HydrophobicContact CG2-CG2 3.98Å; I535-I624 HydrophobicContact CD1-CD1 4.44Å; I535-R641 CarbonylContact C-O 3.4Å; I535-R641 WeakPolarHBondContact CA-O 3.41Å; I535-V642 HydrophobicContact CG1-CG2 4.38Å
536	R	93.6	Very high	92.6	Very high	152 Å²	152	44.1 Å²	44.1	57%	0.574	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.3	161.7	-178	179.1	-64.7	168.4	0.6	108.6	G640 R641 I643	R536-G640 CarbonylContact O-C 3.58Å; R536-G640 WeakPolarHBondContact O-CA 3.37Å; R536-R641 PolarHBondContact N-O 2.91Å; R536-R641 PolarHBondContact O-N 2.65Å; R536-I643 HydrophobicContact CB-CD1 4.42Å; R536-I643 HydrophobicContact CB-CG2 3.72Å
537	L	93.9	Very high	92.3	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	155.9	180	-60.2	170.7	0	0	0	110.2	A521 G522 A524 I535 P539 V546 F549 V550 F639	A521-L537 HydrophobicContact CB-CD1 4.35Å; G522-L537 PolarHBondContact O-N 3.37Å; A524-L537 HydrophobicContact CB-CD1 4.2Å; I535-L537 HydrophobicContact CG2-CD2 3.89Å; L537-P539 WeakPolarHBondContact O-CD 3.48Å; L537-V546 HydrophobicContact CB-CG1 4.16Å; L537-V546 HydrophobicContact CB-CG2 4.26Å; L537-V546 HydrophobicContact CD1-CG1 4.15Å; L537-F549 HydrophobicContact CD1-CD1 4.17Å; L537-F549 HydrophobicContact CD1-CE1 4.34Å; L537-F549 HydrophobicContact CD2-CD1 4Å; L537-F549 HydrophobicContact CD2-CE1 4.12Å; L537-V550 HydrophobicContact CD1-CG2 3.91Å; L537-F639 HydrophobicContact CD2-CD2 3.95Å; L537-F639 HydrophobicContact CD2-CE2 4.06Å
538	C	91.1	Very high	92.2	Very high	25 Å²	25	43.7 Å²	43.7	17%	0.169	21%	0.21	C	C	.	.			trans	-113.4	66.9	179.3	-66.4	0	0	0	0	111.4	R540 E541 C542 L600 F639	C538-R540 VanDerWaalsContact C-N 3.25Å; C538-R540 PolarHBondContact O-N 2.86Å; C538-E541 HydrophobicContact CB-CB 4.49Å; C538-E541 PolarHBondContact O-N 3.15Å; C538-C542 PolarHBondContact O-N 2.69Å; C538-L600 HydrophobicContact CB-CD1 3.98Å; C538-F639 PolarHBondContact N-O 3.31Å
539	P	87.4	Confident	92.1	Very high	18 Å²	18	43.4 Å²	43.4	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.6	-173.3	23.7	-33.1	0	0	0	114.7	L520 L537 P543 V546 L678	L520-P539 HydrophobicContact CB-CB 3.58Å; L520-P539 HydrophobicContact CB-CG 4.4Å; L520-P539 HydrophobicContact CD1-CB 4.04Å; L520-P539 HydrophobicContact CD2-CB 3.6Å; L520-P539 HydrophobicContact CG-CB 3.9Å; L537-P539 WeakPolarHBondContact O-CD 3.48Å; P539-P543 WeakPolarHBondContact O-CA 3.12Å; P539-V546 HydrophobicContact CB-CB 4.38Å; P539-V546 HydrophobicContact CB-CG1 3.99Å; P539-L678 HydrophobicContact CG-CD1 3.84Å
540	R	83.3	Confident	92.1	Very high	207 Å²	207	40.1 Å²	40.1	78%	0.781	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-38.5	-179.4	-172.1	-177.2	68.9	163.9	4.4	111.4	C538	C538-R540 VanDerWaalsContact C-N 3.25Å; C538-R540 PolarHBondContact O-N 2.86Å
541	E	87.4	Confident	91.9	Very high	38 Å²	38	37.6 Å²	37.6	18%	0.178	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-35.4	-178	-65.6	74.5	-161.9	0	0	112.7	C538 H597 L600	C538-E541 HydrophobicContact CB-CB 4.49Å; C538-E541 PolarHBondContact O-N 3.15Å; E541-H597 HydrophobicContact CB-CB 4.07Å; E541-H597 HydrophobicContact CG-CB 4.43Å; E541-L600 HydrophobicContact CB-CD1 3.53Å; E541-L600 HydrophobicContact CB-CG 4.38Å; E541-L600 HydrophobicContact CG-CD1 4.08Å; E541-L600 HydrophobicContact CG-CG 4.45Å
542	C	89.6	Confident	91.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.			trans	-130.9	65.9	-177.7	-52.7	0	0	0	0	111.3	C538 R544 T545 V546 E595 T637 V638 F639	C538-C542 PolarHBondContact O-N 2.69Å; C542-R544 PolarHBondContact O-N 3.43Å; C542-T545 PolarHBondContact O-N 2.97Å; C542-V546 WeakPolarHBondContact O-CB 3.24Å; C542-V546 VanDerWaalsContact O-CG2 3.32Å; C542-V546 WeakPolarHBondContact O-CG2 3.43Å; C542-V546 PolarHBondContact O-N 3.47Å; C542-E595 WeakPolarHBondContact CA-OE2 3.42Å; C542-E595 HydrophobicContact CB-CB 4.08Å; C542-E595 WeakPolarHBondContact CB-OE2 3.21Å; C542-E595 PolarHBondContact SG-O 2.83Å; C542-E595 VanDerWaalsContact SG-O 3.36Å; C542-T637 HydrophobicContact CB-CG2 4.38Å; C542-V638 PolarHBondContact SG-O 2.7Å; C542-F639 HydrophobicContact CB-CB 4.23Å
543	P	89.2	Confident	91.6	Very high	54 Å²	54	33.8 Å²	33.8	35%	0.351	15%	0.153	S	C	.	.	H	α-helix	trans	-60.7	-44.1	-172.9	23.3	-34.1	0	0	0	113.5	L520 P539 E547 E595	L520-P543 HydrophobicContact CD2-CB 4.44Å; P539-P543 WeakPolarHBondContact O-CA 3.12Å; P543-E547 VanDerWaalsContact O-CB 3.25Å; P543-E547 WeakPolarHBondContact O-CB 3.4Å; P543-E547 PolarHBondContact O-N 3.18Å; P543-E595 WeakPolarHBondContact CD-OE1 2.97Å; P543-E595 WeakPolarHBondContact CG-OE1 3.4Å
544	R	89.6	Confident	91.2	Very high	91 Å²	91	38.9 Å²	38.9	34%	0.343	17%	0.173	S	C	.	.	H	α-helix	trans	-69.7	-40.7	-177.4	-62.7	-168.7	80	179	1.7	111.2	C542 E547 N548 W588 F592 E593 E595	C542-R544 PolarHBondContact O-N 3.43Å; R544-E547 PolarHBondContact O-N 3.28Å; R544-N548 VanDerWaalsContact O-CB 3.3Å; R544-N548 WeakPolarHBondContact O-CB 3.38Å; R544-N548 PolarHBondContact O-N 3.45Å; R544-W588 HydrophobicContact CB-CH2 3.99Å; R544-W588 WeakPolarHBondContact O-CH2 3.32Å; R544-F592 HydrophobicContact CB-CD2 4.5Å; R544-E593 VanDerWaalsContact CD-OE1 3.27Å; R544-E593 WeakPolarHBondContact CD-OE1 3.3Å; R544-E593 IonicContact CZ-OE1 3.09Å; R544-E593 IonicContact NE-OE1 3.76Å; R544-E593 IonicContact NH1-OE1 2.69Å; R544-E593 PolarHBondContact NH1-OE1 3.11Å; R544-E595 WeakPolarHBondContact CB-OE1 3.33Å; R544-E595 PolarHBondContact N-OE1 2.96Å; R544-E595 PolarHBondContact N-OE2 3.08Å
545	T	92.9	Very high	90.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-43	179.1	-53.9	0	0	0	0	111.2	C542 N548 F549 F592 E595 M610 T637 F639	C542-T545 PolarHBondContact O-N 2.97Å; T545-N548 PolarHBondContact O-N 3.36Å; T545-F549 WeakPolarHBondContact O-CB 3.21Å; T545-F549 PolarHBondContact O-N 3.25Å; T545-F592 HydrophobicContact CG2-CZ 4.38Å; T545-E595 VanDerWaalsContact CB-OE2 3.25Å; T545-E595 WeakPolarHBondContact CB-OE2 3.26Å; T545-E595 PolarHBondContact N-OE2 2.75Å; T545-E595 PolarHBondContact OG1-OE2 3.06Å; T545-M610 HydrophobicContact CG2-CG 3.39Å; T545-M610 HydrophobicContact CG2-SD 3.62Å; T545-T637 HydrophobicContact CG2-CG2 4.09Å; T545-T637 WeakPolarHBondContact OG1-CG2 3.36Å; T545-F639 HydrophobicContact CG2-CB 3.56Å; T545-F639 HydrophobicContact CG2-CD1 3.58Å; T545-F639 HydrophobicContact CG2-CD2 4.27Å; T545-F639 HydrophobicContact CG2-CE1 4.31Å; T545-F639 HydrophobicContact CG2-CG 3.55Å
546	V	92.8	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.4	-41.4	176.8	174.6	0	0	0	0	111.1	L520 L537 P539 C542 N548 F549 V550 F639	L520-V546 HydrophobicContact CD2-CB 4.15Å; L520-V546 HydrophobicContact CD2-CG1 4.04Å; L537-V546 HydrophobicContact CB-CG1 4.16Å; L537-V546 HydrophobicContact CB-CG2 4.26Å; L537-V546 HydrophobicContact CD1-CG1 4.15Å; P539-V546 HydrophobicContact CB-CB 4.38Å; P539-V546 HydrophobicContact CB-CG1 3.99Å; C542-V546 WeakPolarHBondContact O-CB 3.24Å; C542-V546 VanDerWaalsContact O-CG2 3.32Å; C542-V546 WeakPolarHBondContact O-CG2 3.43Å; C542-V546 PolarHBondContact O-N 3.47Å; V546-N548 VanDerWaalsContact C-N 3.34Å; V546-N548 PolarHBondContact O-N 3.42Å; V546-F549 PolarHBondContact O-N 3.47Å; V546-V550 HydrophobicContact CG1-CG2 4.02Å; V546-V550 VanDerWaalsContact O-CB 3.26Å; V546-V550 WeakPolarHBondContact O-CB 3.46Å; V546-V550 VanDerWaalsContact O-CG2 3.23Å; V546-V550 WeakPolarHBondContact O-CG2 3.46Å; V546-V550 PolarHBondContact O-N 3.4Å; V546-F639 HydrophobicContact CG2-CB 4.25Å; V546-F639 HydrophobicContact CG2-CD2 4.48Å
547	E	90.7	Very high	90.2	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-44.6	173.8	-178.8	176.9	-163.2	0	0	111.4	R519 P543 R544 V550 G551 W588	R519-E547 HydrophobicContact CB-CG 4.32Å; R519-E547 VanDerWaalsContact CD-OE1 3.25Å; R519-E547 WeakPolarHBondContact CD-OE1 3.49Å; R519-E547 IonicContact NH1-OE1 2.7Å; R519-E547 PolarHBondContact NH1-OE1 3.39Å; P543-E547 VanDerWaalsContact O-CB 3.25Å; P543-E547 WeakPolarHBondContact O-CB 3.4Å; P543-E547 PolarHBondContact O-N 3.18Å; R544-E547 PolarHBondContact O-N 3.28Å; E547-V550 PolarHBondContact O-N 2.94Å; E547-G551 PolarHBondContact O-N 2.79Å; E547-W588 HydrophobicContact CG-CZ2 4.28Å
548	N	93.4	Very high	90.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-50.6	176.4	178.8	66.5	0	0	0	111.9	R544 T545 V546 G551 H552 S586 L587 W588 F592 G619	R544-N548 VanDerWaalsContact O-CB 3.3Å; R544-N548 WeakPolarHBondContact O-CB 3.38Å; R544-N548 PolarHBondContact O-N 3.45Å; T545-N548 PolarHBondContact O-N 3.36Å; V546-N548 VanDerWaalsContact C-N 3.34Å; V546-N548 PolarHBondContact O-N 3.42Å; N548-G551 PolarHBondContact O-N 2.9Å; N548-H552 WeakPolarHBondContact O-CB 3.5Å; N548-H552 PolarHBondContact O-N 3.34Å; N548-S586 VanDerWaalsContact OD1-CA 3.25Å; N548-S586 WeakPolarHBondContact OD1-CA 3.04Å; N548-S586 WeakPolarHBondContact OD1-CB 3.26Å; N548-L587 PolarHBondContact OD1-N 3.33Å; N548-W588 HydrophobicContact CB-CH2 4.13Å; N548-W588 HydrophobicContact CB-CZ3 4.06Å; N548-F592 HydrophobicContact CB-CE1 4.17Å; N548-F592 HydrophobicContact CB-CZ 4.16Å; N548-F592 WeakPolarHBondContact ND2-CE1 3.48Å; N548-G619 PolarHBondContact ND2-O 3.49Å
549	F	94.4	Very high	90.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-44.2	179	176.6	-95.9	0	0	0	112.2	A524 L537 T545 V546 S553 Y558 F622 F639 V673	A524-F549 HydrophobicContact CB-CE1 3.73Å; A524-F549 HydrophobicContact CB-CZ 4.37Å; L537-F549 HydrophobicContact CD1-CD1 4.17Å; L537-F549 HydrophobicContact CD1-CE1 4.34Å; L537-F549 HydrophobicContact CD2-CD1 4Å; L537-F549 HydrophobicContact CD2-CE1 4.12Å; T545-F549 WeakPolarHBondContact O-CB 3.21Å; T545-F549 PolarHBondContact O-N 3.25Å; V546-F549 PolarHBondContact O-N 3.47Å; F549-S553 VanDerWaalsContact O-CB 3.28Å; F549-S553 WeakPolarHBondContact O-CB 3.47Å; F549-S553 PolarHBondContact O-N 2.77Å; F549-S553 PolarHBondContact O-OG 2.87Å; F549-Y558 AromaticContact CD2-CE2 3.83Å; F549-Y558 HydrophobicContact CD2-CE2 3.83Å; F549-Y558 AromaticContact CE2-CE2 3.99Å; F549-Y558 HydrophobicContact CE2-CE2 3.99Å; F549-F622 HydrophobicContact CD2-CD1 4.38Å; F549-F622 HydrophobicContact CD2-CE1 4.32Å; F549-F622 HydrophobicContact CE2-CD1 4.29Å; F549-F622 AromaticContact CE2-CE1 3.84Å; F549-F622 HydrophobicContact CE2-CE1 3.84Å; F549-F622 AromaticContact CE2-CZ 3.99Å; F549-F622 HydrophobicContact CE2-CZ 3.99Å; F549-F639 HydrophobicContact CB-CE2 4Å; F549-F639 HydrophobicContact CD1-CE2 4.26Å; F549-F639 AromaticContact CD2-CE2 3.9Å; F549-F639 HydrophobicContact CD2-CE2 3.9Å; F549-F639 HydrophobicContact CD2-CZ 4.06Å; F549-F639 HydrophobicContact CE2-CE2 4.49Å; F549-F639 AromaticContact CG-CE2 3.77Å; F549-F639 HydrophobicContact CG-CE2 3.77Å; F549-F639 HydrophobicContact CG-CZ 4.36Å; F549-V673 HydrophobicContact CZ-CG1 4.32Å
550	V	92	Very high	90.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-67.3	-42.7	179.6	166.6	0	0	0	0	111.2	A521 L537 V546 E547 S553 R554 V675	A521-V550 HydrophobicContact CB-CG1 4.43Å; A521-V550 HydrophobicContact CB-CG2 3.75Å; L537-V550 HydrophobicContact CD1-CG2 3.91Å; V546-V550 HydrophobicContact CG1-CG2 4.02Å; V546-V550 VanDerWaalsContact O-CB 3.26Å; V546-V550 WeakPolarHBondContact O-CB 3.46Å; V546-V550 VanDerWaalsContact O-CG2 3.23Å; V546-V550 WeakPolarHBondContact O-CG2 3.46Å; V546-V550 PolarHBondContact O-N 3.4Å; E547-V550 PolarHBondContact O-N 2.94Å; V550-S553 PolarHBondContact O-N 3.01Å; V550-R554 HydrophobicContact CG1-CG 4.37Å; V550-R554 WeakPolarHBondContact O-CB 3.39Å; V550-R554 WeakPolarHBondContact O-CG 3.13Å; V550-R554 PolarHBondContact O-N 3.4Å; V550-V675 HydrophobicContact CG1-CG1 3.97Å; V550-V675 HydrophobicContact CG2-CG1 4.16Å
551	G	89.3	Confident	90.9	Very high	20 Å²	20	32.1 Å²	32.1	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-50.3	176.8	0	0	0	0	0	111.9	E547 N548 S553 R554 A555	E547-G551 PolarHBondContact O-N 2.79Å; N548-G551 PolarHBondContact O-N 2.9Å; G551-S553 VanDerWaalsContact C-N 3.34Å; G551-S553 PolarHBondContact O-N 2.67Å; G551-R554 PolarHBondContact O-N 3.16Å; G551-A555 WeakPolarHBondContact O-CB 3.3Å; G551-A555 PolarHBondContact O-N 2.78Å
552	H	91.7	Very high	91.3	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-40.9	175.1	-82.1	-33.7	0	0	0	112.6	N548 A555 G556 Y557 Y558 E585 L587	N548-H552 WeakPolarHBondContact O-CB 3.5Å; N548-H552 PolarHBondContact O-N 3.34Å; H552-A555 PolarHBondContact O-N 2.95Å; H552-G556 PolarHBondContact O-N 2.89Å; H552-Y557 HydrophobicContact CB-CD1 4.08Å; H552-Y557 HydrophobicContact CB-CG 4.25Å; H552-Y557 AromaticContact CG-CD1 3.77Å; H552-Y557 AromaticContact CG-CG 3.97Å; H552-Y557 AromaticContact ND1-CD1 3.73Å; H552-Y557 AromaticContact ND1-CD2 3.94Å; H552-Y557 AromaticContact ND1-CG 3.52Å; H552-Y557 VanDerWaalsContact O-CB 3.23Å; H552-Y557 WeakPolarHBondContact O-CB 3.37Å; H552-Y557 PolarHBondContact O-N 3.05Å; H552-Y558 HydrophobicContact CB-CD2 4.05Å; H552-Y558 HydrophobicContact CB-CE2 3.48Å; H552-Y558 VanDerWaalsContact CB-CE2 3.48Å; H552-E585 PolarHBondContact NE2-O 3.07Å; H552-L587 PolarHBondContact NE2-N 3.18Å
553	S	91.9	Very high	91.6	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-46.8	178.1	-61.5	0	0	0	0	112.2	F549 V550 G551 A555 G556 V673	F549-S553 VanDerWaalsContact O-CB 3.28Å; F549-S553 WeakPolarHBondContact O-CB 3.47Å; F549-S553 PolarHBondContact O-N 2.77Å; F549-S553 PolarHBondContact O-OG 2.87Å; V550-S553 PolarHBondContact O-N 3.01Å; G551-S553 VanDerWaalsContact C-N 3.34Å; G551-S553 PolarHBondContact O-N 2.67Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 3.43Å; S553-G556 PolarHBondContact O-N 3.29Å; S553-G556 VanDerWaalsContact O-N 3.12Å; S553-V673 WeakPolarHBondContact OG-CG1 3.42Å
554	R	87.9	Confident	91.8	Very high	108 Å²	108	29.6 Å²	29.6	41%	0.408	17%	0.169	S	C	.	.	H	α-helix	trans	-66.5	-33.5	178.1	-73.5	-177.4	179.4	163.5	4	112.4	A517 S518 V550 G551 G556 V675 D677	A517-R554 PolarHBondContact O-NH1 3.36Å; A517-R554 VanDerWaalsContact O-NH1 3.17Å; S518-R554 PolarHBondContact O-NH2 3.24Å; V550-R554 HydrophobicContact CG1-CG 4.37Å; V550-R554 WeakPolarHBondContact O-CB 3.39Å; V550-R554 WeakPolarHBondContact O-CG 3.13Å; V550-R554 PolarHBondContact O-N 3.4Å; G551-R554 PolarHBondContact O-N 3.16Å; R554-G556 PolarHBondContact O-N 2.9Å; R554-V675 HydrophobicContact CG-CB 4.48Å; R554-V675 HydrophobicContact CG-CG2 4.25Å; R554-D677 IonicContact CZ-OD1 3.67Å; R554-D677 IonicContact NH2-OD1 2.82Å; R554-D677 PolarHBondContact NH2-OD1 3.29Å; R554-D677 IonicContact NH2-OD2 3.99Å
555	A	86.7	Confident	92.1	Very high	79 Å²	79	30.1 Å²	30.1	65%	0.653	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.4	174.9	0	0	0	0	0	113.5	G551 H552 S553 Y557	G551-A555 WeakPolarHBondContact O-CB 3.3Å; G551-A555 PolarHBondContact O-N 2.78Å; H552-A555 PolarHBondContact O-N 2.95Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 3.43Å; A555-Y557 PolarHBondContact O-N 3.04Å
556	G	87.8	Confident	92.2	Very high	24 Å²	24	30.2 Å²	30.2	25%	0.247	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	16.7	-174.2	0	0	0	0	0	113.6	H552 S553 R554 Y558 N559	H552-G556 PolarHBondContact O-N 2.89Å; S553-G556 PolarHBondContact O-N 3.29Å; S553-G556 VanDerWaalsContact O-N 3.12Å; R554-G556 PolarHBondContact O-N 2.9Å; G556-Y558 VanDerWaalsContact C-N 3.27Å; G556-Y558 PolarHBondContact O-N 3.48Å; G556-N559 VanDerWaalsContact O-CB 3.26Å; G556-N559 WeakPolarHBondContact O-CB 3.25Å; G556-N559 VanDerWaalsContact O-CG 3.23Å; G556-N559 PolarHBondContact O-N 3.03Å; G556-N559 VanDerWaalsContact O-N 3.08Å
557	Y	90.7	Very high	92.3	Very high	70 Å²	70	32 Å²	32	28%	0.275	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.5	-175.7	-178.2	-97	0	0	0	112.5	H552 A555 N559 H561 P577	H552-Y557 HydrophobicContact CB-CD1 4.08Å; H552-Y557 HydrophobicContact CB-CG 4.25Å; H552-Y557 AromaticContact CG-CD1 3.77Å; H552-Y557 AromaticContact CG-CG 3.97Å; H552-Y557 AromaticContact ND1-CD1 3.73Å; H552-Y557 AromaticContact ND1-CD2 3.94Å; H552-Y557 AromaticContact ND1-CG 3.52Å; H552-Y557 VanDerWaalsContact O-CB 3.23Å; H552-Y557 WeakPolarHBondContact O-CB 3.37Å; H552-Y557 PolarHBondContact O-N 3.05Å; A555-Y557 PolarHBondContact O-N 3.04Å; Y557-N559 VanDerWaalsContact C-N 3.29Å; Y557-N559 PolarHBondContact O-N 2.98Å; Y557-H561 AromaticContact CD1-CE1 3.84Å; Y557-H561 AromaticContact CE1-CE1 3.63Å; Y557-H561 PolarHBondContact O-CE1 2.69Å; Y557-H561 VanDerWaalsContact O-CE1 3.25Å; Y557-H561 PolarHBondContact O-NE2 2.88Å; Y557-P577 HydrophobicContact CE1-CG 4.19Å; Y557-P577 HydrophobicContact CE2-CG 4.43Å; Y557-P577 WeakPolarHBondContact OH-CG 3.49Å
558	Y	93.8	Very high	92.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.9	179.6	-66.4	-58.1	0	0	0	114.1	F549 H552 G556 G560 H561 S620 F622 I670 V673	F549-Y558 AromaticContact CD2-CE2 3.83Å; F549-Y558 HydrophobicContact CD2-CE2 3.83Å; F549-Y558 AromaticContact CE2-CE2 3.99Å; F549-Y558 HydrophobicContact CE2-CE2 3.99Å; H552-Y558 HydrophobicContact CB-CD2 4.05Å; H552-Y558 HydrophobicContact CB-CE2 3.48Å; H552-Y558 VanDerWaalsContact CB-CE2 3.48Å; G556-Y558 VanDerWaalsContact C-N 3.27Å; G556-Y558 PolarHBondContact O-N 3.48Å; Y558-G560 PolarHBondContact O-N 3.04Å; Y558-H561 AromaticContact CD1-ND1 3.68Å; Y558-H561 WeakPolarHBondContact O-CB 3.43Å; Y558-H561 PolarHBondContact O-N 3Å; Y558-H561 VanDerWaalsContact O-N 3.1Å; Y558-S620 WeakPolarHBondContact CE1-O 3.39Å; Y558-S620 PolarHBondContact OH-O 3.45Å; Y558-F622 HydrophobicContact CD1-CE1 4.31Å; Y558-F622 HydrophobicContact CE1-CD1 4.29Å; Y558-F622 AromaticContact CE1-CE1 3.92Å; Y558-F622 HydrophobicContact CE1-CE1 3.92Å; Y558-F622 HydrophobicContact CE2-CE1 4.48Å; Y558-I670 WeakPolarHBondContact O-CB 3.48Å; Y558-V673 HydrophobicContact CD2-CG2 4.43Å
559	N	91.2	Very high	92.3	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	125.7	-176.1	-60.5	0.2	0	0	0	109.8	G556 Y557 H561 S672	G556-N559 VanDerWaalsContact O-CB 3.26Å; G556-N559 WeakPolarHBondContact O-CB 3.25Å; G556-N559 VanDerWaalsContact O-CG 3.23Å; G556-N559 PolarHBondContact O-N 3.03Å; G556-N559 VanDerWaalsContact O-N 3.08Å; Y557-N559 VanDerWaalsContact C-N 3.29Å; Y557-N559 PolarHBondContact O-N 2.98Å; N559-H561 VanDerWaalsContact C-N 3.32Å; N559-S672 WeakPolarHBondContact OD1-CA 3.37Å
560	G	91.4	Very high	92.3	Very high	46 Å²	46	42.6 Å²	42.6	47%	0.474	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-5.5	-175.5	0	0	0	0	0	115	Y558 I562 I670	Y558-G560 PolarHBondContact O-N 3.04Å; G560-I562 PolarHBondContact O-N 3.28Å; G560-I670 WeakPolarHBondContact CA-O 3.07Å; G560-I670 PolarHBondContact N-O 3.31Å
561	H	95	Very high	92.4	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.083	24%	0.24	C	C	.	.			trans	-66.7	134	179.3	-75.5	-163.1	0	0	0	111.5	Y557 Y558 N559 P577 N669 I670	Y557-H561 AromaticContact CD1-CE1 3.84Å; Y557-H561 AromaticContact CE1-CE1 3.63Å; Y557-H561 PolarHBondContact O-CE1 2.69Å; Y557-H561 VanDerWaalsContact O-CE1 3.25Å; Y557-H561 PolarHBondContact O-NE2 2.88Å; Y558-H561 AromaticContact CD1-ND1 3.68Å; Y558-H561 WeakPolarHBondContact O-CB 3.43Å; Y558-H561 PolarHBondContact O-N 3Å; Y558-H561 VanDerWaalsContact O-N 3.1Å; N559-H561 VanDerWaalsContact C-N 3.32Å; H561-P577 WeakPolarHBondContact NE2-CA 3.35Å; H561-N669 CarbonylContact O-C 3.58Å; H561-N669 WeakPolarHBondContact O-CA 3.28Å; H561-I670 HydrophobicContact CB-CD1 4.46Å; H561-I670 PolarHBondContact O-N 2.89Å
562	I	94.8	Very high	92.8	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.128	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-86	157.6	178	64.1	168.5	0	0	0	112.2	G560 H564 T574 D667 V668 N669	G560-I562 PolarHBondContact O-N 3.28Å; I562-H564 VanDerWaalsContact C-N 3.33Å; I562-H564 HydrophobicContact CD1-CB 4.18Å; I562-H564 HydrophobicContact CG1-CB 4.13Å; I562-H564 PolarHBondContact O-N 2.94Å; I562-H564 VanDerWaalsContact O-N 3.13Å; I562-T574 PolarHBondContact O-OG1 2.8Å; I562-D667 HydrophobicContact CG2-CB 4.04Å; I562-V668 CarbonylContact C-O 3.55Å; I562-V668 VanDerWaalsContact CA-O 3.22Å; I562-V668 WeakPolarHBondContact CA-O 3.17Å; I562-N669 HydrophobicContact CG2-CB 4.24Å
563	F	95.9	Very high	93	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	23%	0.233	C	C	.	.			trans	-79	83.6	162.4	-71.9	-90.4	0	0	0	109	T528 R565 V566 I572 Q573 T574 I652 P664 V668 I670	T528-F563 HydrophobicContact CG2-CE2 4.01Å; T528-F563 HydrophobicContact CG2-CZ 4.24Å; F563-R565 PolarHBondContact O-N 3.4Å; F563-V566 HydrophobicContact CB-CG2 4.06Å; F563-I572 HydrophobicContact CD1-CB 4.05Å; F563-I572 HydrophobicContact CD1-CD1 4.14Å; F563-I572 HydrophobicContact CD1-CG1 4.24Å; F563-I572 HydrophobicContact CE1-CB 4.41Å; F563-I572 HydrophobicContact CE1-CD1 3.72Å; F563-I572 HydrophobicContact CE1-CG1 4.08Å; F563-I572 HydrophobicContact CZ-CD1 4.41Å; F563-Q573 CarbonylContact C-O 3.59Å; F563-Q573 VanDerWaalsContact CA-O 3.25Å; F563-Q573 WeakPolarHBondContact CA-O 3.23Å; F563-T574 HydrophobicContact CD1-CG2 4.12Å; F563-T574 HydrophobicContact CE1-CG2 3.77Å; F563-T574 HydrophobicContact CZ-CG2 4.24Å; F563-I652 HydrophobicContact CD1-CG2 4.45Å; F563-I652 HydrophobicContact CD2-CG2 4.5Å; F563-I652 HydrophobicContact CE2-CD1 4.17Å; F563-I652 HydrophobicContact CG-CG2 4.25Å; F563-I652 HydrophobicContact CZ-CD1 4.21Å; F563-P664 WeakPolarHBondContact O-CD 3.43Å; F563-P664 WeakPolarHBondContact O-CG 3.37Å; F563-V668 HydrophobicContact CD2-CB 3.98Å; F563-V668 HydrophobicContact CD2-CG1 3.68Å; F563-V668 WeakPolarHBondContact CD2-O 3.47Å; F563-V668 HydrophobicContact CE2-CG1 4.03Å; F563-V668 PolarHBondContact N-O 3.19Å; F563-I670 HydrophobicContact CE2-CG1 4.19Å; F563-I670 HydrophobicContact CZ-CG1 4.43Å
564	H	94.2	Very high	93.3	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	23%	0.232	C	C	.	.			trans	-70.2	-16.2	-171.3	57.8	-87.2	0	0	0	114.4	I562 Q573 G579 G581 Q621	I562-H564 VanDerWaalsContact C-N 3.33Å; I562-H564 HydrophobicContact CD1-CB 4.18Å; I562-H564 HydrophobicContact CG1-CB 4.13Å; I562-H564 PolarHBondContact O-N 2.94Å; I562-H564 VanDerWaalsContact O-N 3.13Å; H564-Q573 PolarHBondContact N-O 3.34Å; H564-Q573 PolarHBondContact NE2-NE2 2.91Å; H564-G579 VanDerWaalsContact CB-O 3.29Å; H564-G579 WeakPolarHBondContact CB-O 3.31Å; H564-G581 WeakPolarHBondContact NE2-CA 3.19Å; H564-Q621 PolarHBondContact CE1-OE1 3.46Å; H564-Q621 PolarHBondContact NE2-OE1 2.78Å
565	R	94.7	Very high	93.5	Very high	102 Å²	102	37 Å²	37	39%	0.385	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	122.4	178	-170.6	179.8	-176.9	-160.5	3.9	110.8	F563 M571 Q573 D662	F563-R565 PolarHBondContact O-N 3.4Å; R565-M571 HydrophobicContact CG-CE 4.03Å; R565-Q573 HydrophobicContact CB-CB 4.21Å; R565-Q573 PolarHBondContact O-N 3.39Å; R565-D662 HydrophobicContact CG-CB 3.97Å; R565-D662 IonicContact NE-OD2 3.81Å
566	V	95.9	Very high	93.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	114.3	-176.9	170.5	0	0	0	0	109.1	F563 I572 I652 T657 D662 P664	F563-V566 HydrophobicContact CB-CG2 4.06Å; V566-I572 HydrophobicContact CG1-CG2 4.08Å; V566-I572 HydrophobicContact CG2-CB 4.4Å; V566-I572 HydrophobicContact CG2-CG2 4.17Å; V566-I652 WeakPolarHBondContact CG1-O 3.49Å; V566-I652 HydrophobicContact CG2-CG2 4.34Å; V566-T657 HydrophobicContact CB-CG2 3.8Å; V566-T657 HydrophobicContact CG1-CG2 3.97Å; V566-T657 WeakPolarHBondContact O-CG2 3.44Å; V566-D662 PolarHBondContact N-O 3.17Å; V566-P664 HydrophobicContact CB-CG 4.12Å; V566-P664 HydrophobicContact CG2-CG 3.65Å
567	I	94.2	Very high	93.8	Very high	39 Å²	39	35 Å²	35	20%	0.2	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.6	179.6	-57.8	-177.7	0	0	0	108.8	G569 F570 M571 D662	I567-G569 PolarHBondContact O-N 2.99Å; I567-F570 HydrophobicContact CB-CB 4.03Å; I567-F570 HydrophobicContact CB-CD1 4.04Å; I567-F570 HydrophobicContact CD1-CD1 3.96Å; I567-F570 HydrophobicContact CD1-CE1 4.44Å; I567-F570 HydrophobicContact CG2-CB 3.72Å; I567-F570 HydrophobicContact CG2-CD1 4.08Å; I567-F570 HydrophobicContact CG2-CG 4.41Å; I567-F570 PolarHBondContact O-N 3.47Å; I567-M571 HydrophobicContact CD1-CE 3.92Å; I567-M571 HydrophobicContact CG1-CE 4.16Å; I567-M571 PolarHBondContact N-O 3.29Å; I567-M571 PolarHBondContact O-N 2.91Å; I567-D662 HydrophobicContact CG1-CB 3.95Å
568	K	93.2	Very high	93.6	Very high	153 Å²	153	37.6 Å²	37.6	67%	0.665	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	125	-177.4	-172.5	176	179.1	171.1	0	111.3	F570 N654	K568-F570 PolarHBondContact O-N 3.44Å; K568-N654 WeakPolarHBondContact CE-OD1 3.42Å
569	G	91.7	Very high	93.3	Very high	48 Å²	48	38 Å²	38	50%	0.495	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	5.1	-179.8	0	0	0	0	0	114.8	I567 A627	I567-G569 PolarHBondContact O-N 2.99Å; G569-A627 WeakPolarHBondContact O-CB 3.49Å
570	F	94.3	Very high	93.1	Very high	52 Å²	52	38.5 Å²	38.5	23%	0.228	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-73.5	177	179	-136.2	0	0	0	112.1	I567 K568 T625 V626 T629 W631 L632	I567-F570 HydrophobicContact CB-CB 4.03Å; I567-F570 HydrophobicContact CB-CD1 4.04Å; I567-F570 HydrophobicContact CD1-CD1 3.96Å; I567-F570 HydrophobicContact CD1-CE1 4.44Å; I567-F570 HydrophobicContact CG2-CB 3.72Å; I567-F570 HydrophobicContact CG2-CD1 4.08Å; I567-F570 HydrophobicContact CG2-CG 4.41Å; I567-F570 PolarHBondContact O-N 3.47Å; K568-F570 PolarHBondContact O-N 3.44Å; F570-T625 WeakPolarHBondContact O-CA 3.44Å; F570-V626 VanDerWaalsContact C-CG2 3.43Å; F570-V626 VanDerWaalsContact N-CG2 3.34Å; F570-V626 WeakPolarHBondContact O-CG2 3.4Å; F570-V626 PolarHBondContact O-N 2.98Å; F570-T629 HydrophobicContact CD2-CG2 3.55Å; F570-T629 HydrophobicContact CE2-CG2 3.48Å; F570-T629 VanDerWaalsContact CE2-CG2 3.48Å; F570-W631 AromaticContact CD2-CZ2 3.98Å; F570-W631 HydrophobicContact CD2-CZ2 3.98Å; F570-W631 AromaticContact CE2-CZ2 3.62Å; F570-W631 HydrophobicContact CE2-CZ2 3.62Å; F570-W631 AromaticContact CE2-NE1 3.98Å; F570-L632 HydrophobicContact CE2-CD1 4.04Å; F570-L632 HydrophobicContact CZ-CD1 4.08Å
571	M	94.9	Very high	92.8	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	162.3	-175.6	64.6	80.6	-172	0	0	113.2	R565 I567 Q573 F623 I624	R565-M571 HydrophobicContact CG-CE 4.03Å; I567-M571 HydrophobicContact CD1-CE 3.92Å; I567-M571 HydrophobicContact CG1-CE 4.16Å; I567-M571 PolarHBondContact N-O 3.29Å; I567-M571 PolarHBondContact O-N 2.91Å; M571-Q573 HydrophobicContact CE-CB 4.22Å; M571-Q573 HydrophobicContact SD-CB 3.72Å; M571-F623 HydrophobicContact CB-CD2 4.14Å; M571-F623 HydrophobicContact CG-CD2 4.5Å; M571-F623 HydrophobicContact SD-CB 4.08Å; M571-I624 CarbonylContact C-O 3.49Å; M571-I624 VanDerWaalsContact CA-O 3.25Å; M571-I624 WeakPolarHBondContact CA-O 3.45Å; M571-I624 WeakPolarHBondContact CB-O 3.36Å
572	I	96.7	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.3	167.6	62.5	173.7	0	0	0	108.9	F563 V566 F623 I624 V649 I652	F563-I572 HydrophobicContact CD1-CB 4.05Å; F563-I572 HydrophobicContact CD1-CD1 4.14Å; F563-I572 HydrophobicContact CD1-CG1 4.24Å; F563-I572 HydrophobicContact CE1-CB 4.41Å; F563-I572 HydrophobicContact CE1-CD1 3.72Å; F563-I572 HydrophobicContact CE1-CG1 4.08Å; F563-I572 HydrophobicContact CZ-CD1 4.41Å; V566-I572 HydrophobicContact CG1-CG2 4.08Å; V566-I572 HydrophobicContact CG2-CB 4.4Å; V566-I572 HydrophobicContact CG2-CG2 4.17Å; I572-F623 CarbonylContact O-C 3.46Å; I572-F623 WeakPolarHBondContact O-CA 3.35Å; I572-F623 WeakPolarHBondContact O-CB 3.31Å; I572-I624 HydrophobicContact CD1-CB 4.35Å; I572-I624 HydrophobicContact CD1-CD1 4.48Å; I572-I624 HydrophobicContact CG1-CB 3.84Å; I572-I624 HydrophobicContact CG1-CG1 4.46Å; I572-I624 PolarHBondContact N-O 2.75Å; I572-I624 PolarHBondContact O-N 3.44Å; I572-V649 HydrophobicContact CD1-CB 4.41Å; I572-V649 HydrophobicContact CD1-CG1 3.73Å; I572-V649 HydrophobicContact CG1-CG1 4.27Å; I572-I652 HydrophobicContact CB-CG2 4.31Å; I572-I652 HydrophobicContact CD1-CB 4.1Å; I572-I652 HydrophobicContact CD1-CD1 4.13Å; I572-I652 HydrophobicContact CD1-CG2 3.98Å; I572-I652 HydrophobicContact CG2-CB 4.4Å; I572-I652 HydrophobicContact CG2-CG2 3.89Å
573	Q	96.9	Very high	91.9	Very high	22 Å²	22	42 Å²	42	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.7	-175	-178.4	-176.4	-16.6	0	0	111.3	F563 H564 R565 M571 A611 F623	F563-Q573 CarbonylContact C-O 3.59Å; F563-Q573 VanDerWaalsContact CA-O 3.25Å; F563-Q573 WeakPolarHBondContact CA-O 3.23Å; H564-Q573 PolarHBondContact N-O 3.34Å; H564-Q573 PolarHBondContact NE2-NE2 2.91Å; R565-Q573 HydrophobicContact CB-CB 4.21Å; R565-Q573 PolarHBondContact O-N 3.39Å; M571-Q573 HydrophobicContact CE-CB 4.22Å; M571-Q573 HydrophobicContact SD-CB 3.72Å; Q573-A611 HydrophobicContact CG-CB 4.38Å; Q573-F623 HydrophobicContact CB-CB 3.99Å; Q573-F623 HydrophobicContact CG-CB 4.27Å
574	T	96.3	Very high	91.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-167.3	-178.5	-170.1	0	0	0	0	111	I562 F563 Q621 F622 I670	I562-T574 PolarHBondContact O-OG1 2.8Å; F563-T574 HydrophobicContact CD1-CG2 4.12Å; F563-T574 HydrophobicContact CE1-CG2 3.77Å; F563-T574 HydrophobicContact CZ-CG2 4.24Å; T574-Q621 WeakPolarHBondContact O-CA 3.26Å; T574-F622 HydrophobicContact CG2-CD1 4.4Å; T574-F622 HydrophobicContact CG2-CD2 4.35Å; T574-F622 HydrophobicContact CG2-CE1 3.79Å; T574-F622 HydrophobicContact CG2-CE2 3.73Å; T574-F622 HydrophobicContact CG2-CZ 3.39Å; T574-F622 PolarHBondContact N-O 3.11Å; T574-F622 PolarHBondContact O-N 3.46Å; T574-I670 HydrophobicContact CG2-CD1 3.88Å
575	G	92.9	Very high	91.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.			trans	89.1	8.9	175.6	0	0	0	0	0	114.9	S620	G575-S620 PolarHBondContact O-OG 3.35Å
576	C	92.7	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.259	C	S	.	.			trans	-97.2	117.9	174.5	178.2	0	0	0	0	110.2	L578 G579 G581 G583 Q621	C576-L578 VanDerWaalsContact C-N 3.25Å; C576-L578 PolarHBondContact O-N 3.31Å; C576-G579 PolarHBondContact O-N 3.12Å; C576-G581 PolarHBondContact SG-N 2.98Å; C576-G581 VanDerWaalsContact SG-N 3.35Å; C576-G583 PolarHBondContact SG-N 3.05Å; C576-Q621 HydrophobicContact CB-CG 4.01Å
577	P	88.3	Confident	90.7	Very high	60 Å²	60	46 Å²	46	39%	0.39	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.4	179.5	-19.4	28.9	0	0	0	113.4	Y557 H561 G579	Y557-P577 HydrophobicContact CE1-CG 4.19Å; Y557-P577 HydrophobicContact CE2-CG 4.43Å; Y557-P577 WeakPolarHBondContact OH-CG 3.49Å; H561-P577 WeakPolarHBondContact NE2-CA 3.35Å; P577-G579 VanDerWaalsContact C-N 3.3Å; P577-G579 PolarHBondContact O-N 2.82Å
578	L	87.6	Confident	90.3	Very high	126 Å²	126	49 Å²	49	66%	0.66	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.1	-179.6	-57.4	177.3	0	0	0	113.1	C576 T580	C576-L578 VanDerWaalsContact C-N 3.25Å; C576-L578 PolarHBondContact O-N 3.31Å; L578-T580 HydrophobicContact CB-CG2 4.3Å; L578-T580 PolarHBondContact O-N 3.03Å; L578-T580 VanDerWaalsContact O-N 3.16Å
579	G	87.4	Confident	89.7	Confident	7 Å²	7	44.3 Å²	44.3	7%	0.072	28%	0.275	C	S	.	.	S	Bend	trans	61.9	17.2	-174.5	0	0	0	0	0	115.6	H564 C576 P577	H564-G579 VanDerWaalsContact CB-O 3.29Å; H564-G579 WeakPolarHBondContact CB-O 3.31Å; C576-G579 PolarHBondContact O-N 3.12Å; P577-G579 VanDerWaalsContact C-N 3.3Å; P577-G579 PolarHBondContact O-N 2.82Å
580	T	87	Confident	89.6	Confident	88 Å²	88	43.3 Å²	43.3	54%	0.54	27%	0.265	S	S	.	.	S	Bend	trans	-103.9	-14.6	-179.4	57.1	0	0	0	0	113.7	L578 T582	L578-T580 HydrophobicContact CB-CG2 4.3Å; L578-T580 PolarHBondContact O-N 3.03Å; L578-T580 VanDerWaalsContact O-N 3.16Å; T580-T582 VanDerWaalsContact C-N 3.32Å; T580-T582 PolarHBondContact OG1-N 2.88Å; T580-T582 PolarHBondContact OG1-OG1 3.17Å
581	G	85.1	Confident	89.4	Confident	27 Å²	27	47 Å²	47	28%	0.278	28%	0.283	S	S	.	.	S	Bend	trans	82.3	-0.2	-172.4	0	0	0	0	0	115.2	H564 C576 Q621	H564-G581 WeakPolarHBondContact NE2-CA 3.19Å; C576-G581 PolarHBondContact SG-N 2.98Å; C576-G581 VanDerWaalsContact SG-N 3.35Å; G581-Q621 VanDerWaalsContact C-NE2 3.26Å; G581-Q621 PolarHBondContact O-NE2 3.42Å
582	T	86.1	Confident	89.2	Confident	123 Å²	123	47.2 Å²	47.2	76%	0.755	28%	0.284	S	S	*	.	S	Bend	trans	-105.7	-6	180	58.7	0	0	0	0	114.2	T580	T580-T582 VanDerWaalsContact C-N 3.32Å; T580-T582 PolarHBondContact OG1-N 2.88Å; T580-T582 PolarHBondContact OG1-OG1 3.17Å
583	G	84	Confident	89	Confident	13 Å²	13	51.7 Å²	51.7	13%	0.134	31%	0.305	C	S	.	.			trans	-111	169	-176.9	0	0	0	0	0	112.8	C576 Q621	C576-G583 PolarHBondContact SG-N 3.05Å; G583-Q621 PolarHBondContact O-NE2 3.28Å
584	G	86.7	Confident	88.8	Confident	28 Å²	28	51.7 Å²	51.7	29%	0.289	31%	0.305	S	S	.	.			trans	112.6	128.8	176	0	0	0	0	0	112.2	S620	G584-S620 WeakPolarHBondContact CA-OG 3.49Å
585	E	90.6	Very high	88.4	Confident	116 Å²	116	53.1 Å²	53.1	54%	0.542	31%	0.312	S	S	.	.			trans	-119.9	157.9	-177.3	-66.4	-178.6	174	0	0	109.8	H552 S620	H552-E585 PolarHBondContact NE2-O 3.07Å; E585-S620 WeakPolarHBondContact O-CB 3.43Å
586	S	91.2	Very high	88.3	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.042	33%	0.33	C	S	.	.			trans	-67.5	167.2	170.8	72.3	0	0	0	0	111.8	N548 W588 G589 G590	N548-S586 VanDerWaalsContact OD1-CA 3.25Å; N548-S586 WeakPolarHBondContact OD1-CA 3.04Å; N548-S586 WeakPolarHBondContact OD1-CB 3.26Å; S586-W588 PolarHBondContact O-N 3.07Å; S586-W588 PolarHBondContact OG-N 3.48Å; S586-G589 PolarHBondContact O-N 2.84Å; S586-G590 WeakPolarHBondContact CB-O 3.47Å; S586-G590 PolarHBondContact N-O 3.16Å; S586-G590 PolarHBondContact OG-O 3.21Å
587	L	87	Confident	88	Confident	50 Å²	50	60.5 Å²	60.5	26%	0.262	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.6	173.7	-171.8	67.3	0	0	0	112.8	N548 H552	N548-L587 PolarHBondContact OD1-N 3.33Å; H552-L587 PolarHBondContact NE2-N 3.18Å
588	W	86.4	Confident	87.9	Confident	102 Å²	102	62.3 Å²	62.3	39%	0.386	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	9.1	-177.8	-51.9	-73.8	0	0	0	114.2	R544 E547 N548 S586 F592	R544-W588 HydrophobicContact CB-CH2 3.99Å; R544-W588 WeakPolarHBondContact O-CH2 3.32Å; E547-W588 HydrophobicContact CG-CZ2 4.28Å; N548-W588 HydrophobicContact CB-CH2 4.13Å; N548-W588 HydrophobicContact CB-CZ3 4.06Å; S586-W588 PolarHBondContact O-N 3.07Å; S586-W588 PolarHBondContact OG-N 3.48Å; W588-F592 HydrophobicContact CE3-CB 4.26Å; W588-F592 HydrophobicContact CE3-CD1 4.46Å; W588-F592 HydrophobicContact CE3-CG 4.4Å; W588-F592 HydrophobicContact CZ3-CB 4.12Å; W588-F592 HydrophobicContact CZ3-CD1 4.04Å; W588-F592 HydrophobicContact CZ3-CD2 4.24Å; W588-F592 AromaticContact CZ3-CG 3.87Å; W588-F592 HydrophobicContact CZ3-CG 3.87Å
589	G	79.9	Confident	87.8	Confident	55 Å²	55	59.7 Å²	59.7	57%	0.567	35%	0.349	S	S	*	.	S	Bend	trans	78.4	40.4	174	0	0	0	0	0	114.7	S586	S586-G589 PolarHBondContact O-N 2.84Å
590	G	88.7	Confident	88	Confident	27 Å²	27	60.2 Å²	60.2	28%	0.278	35%	0.35	S	S	.	.	S	Bend	trans	174.7	-156.5	179.5	0	0	0	0	0	112.2	S586	S586-G590 WeakPolarHBondContact CB-O 3.47Å; S586-G590 PolarHBondContact N-O 3.16Å; S586-G590 PolarHBondContact OG-O 3.21Å
591	E	91	Very high	88.2	Confident	130 Å²	130	59.3 Å²	59.3	61%	0.607	34%	0.337	S	S	*	.			trans	-92	156.3	174.4	-64.3	179.1	167.4	0	0	112.1	T617 N618	E591-T617 VanDerWaalsContact CD-CB 3.47Å; E591-T617 WeakPolarHBondContact OE2-CA 3.34Å; E591-T617 VanDerWaalsContact OE2-CB 3.24Å; E591-T617 WeakPolarHBondContact OE2-CB 3.28Å; E591-T617 VanDerWaalsContact OE2-CG2 3.3Å; E591-T617 WeakPolarHBondContact OE2-CG2 3.33Å; E591-N618 CarbonylContact C-O 3.59Å; E591-N618 VanDerWaalsContact CA-O 3.26Å; E591-N618 WeakPolarHBondContact CA-O 3.1Å
592	F	91.7	Very high	88.5	Confident	11 Å²	11	58 Å²	58	5%	0.048	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-135.6	165.2	174.9	74.7	-83.3	0	0	0	113.8	R544 T545 N548 W588 M610 N616 N618	R544-F592 HydrophobicContact CB-CD2 4.5Å; T545-F592 HydrophobicContact CG2-CZ 4.38Å; N548-F592 HydrophobicContact CB-CE1 4.17Å; N548-F592 HydrophobicContact CB-CZ 4.16Å; N548-F592 WeakPolarHBondContact ND2-CE1 3.48Å; W588-F592 HydrophobicContact CE3-CB 4.26Å; W588-F592 HydrophobicContact CE3-CD1 4.46Å; W588-F592 HydrophobicContact CE3-CG 4.4Å; W588-F592 HydrophobicContact CZ3-CB 4.12Å; W588-F592 HydrophobicContact CZ3-CD1 4.04Å; W588-F592 HydrophobicContact CZ3-CD2 4.24Å; W588-F592 AromaticContact CZ3-CG 3.87Å; W588-F592 HydrophobicContact CZ3-CG 3.87Å; F592-M610 HydrophobicContact CE1-CE 4.13Å; F592-M610 HydrophobicContact CZ-CE 4.03Å; F592-N616 CarbonylContact O-C 3.59Å; F592-N616 VanDerWaalsContact O-C 3.23Å; F592-N616 VanDerWaalsContact O-O 3.07Å; F592-N618 HydrophobicContact CD1-CB 3.61Å; F592-N618 WeakPolarHBondContact CD1-O 3.39Å; F592-N618 HydrophobicContact CD2-CB 4.05Å; F592-N618 HydrophobicContact CE1-CB 3.31Å; F592-N618 WeakPolarHBondContact CE1-O 3.43Å; F592-N618 HydrophobicContact CE2-CB 3.77Å; F592-N618 HydrophobicContact CG-CB 3.98Å; F592-N618 HydrophobicContact CZ-CB 3.4Å; F592-N618 PolarHBondContact N-O 3.02Å; F592-N618 WeakPolarHBondContact O-CB 3.31Å; F592-N618 PolarHBondContact O-N 3.24Å
593	E	91.4	Very high	88.6	Confident	94 Å²	94	55.9 Å²	55.9	44%	0.439	31%	0.307	S	S	.	.			trans	-65.1	156.5	-173.5	68.1	-164.3	158.4	0	0	114.8	R544 N616 N618	R544-E593 VanDerWaalsContact CD-OE1 3.27Å; R544-E593 WeakPolarHBondContact CD-OE1 3.3Å; R544-E593 IonicContact CZ-OE1 3.09Å; R544-E593 IonicContact NE-OE1 3.76Å; R544-E593 IonicContact NH1-OE1 2.69Å; R544-E593 PolarHBondContact NH1-OE1 3.11Å; E593-N616 WeakPolarHBondContact CA-OD1 3.15Å; E593-N618 PolarHBondContact O-ND2 3.03Å
594	D	92.4	Very high	89	Confident	22 Å²	22	61 Å²	61	12%	0.118	32%	0.323	C	S	.	.			trans	-80	141.8	173.6	-71.8	-49.3	0	0	0	112.4	F596 N612 P615 N616 N618 T637	D594-F596 HydrophobicContact CB-CD1 4.34Å; D594-F596 HydrophobicContact CB-CD2 4.41Å; D594-F596 HydrophobicContact CB-CE1 3.7Å; D594-F596 HydrophobicContact CB-CE2 3.78Å; D594-F596 HydrophobicContact CB-CZ 3.38Å; D594-N612 PolarHBondContact OD1-ND2 3.2Å; D594-N612 VanDerWaalsContact OD1-ND2 3.16Å; D594-P615 WeakPolarHBondContact OD2-CA 3.24Å; D594-N616 PolarHBondContact N-OD1 2.89Å; D594-N616 PolarHBondContact OD2-N 2.87Å; D594-N618 WeakPolarHBondContact CA-ND2 3.43Å; D594-N618 PolarHBondContact OD1-ND2 2.89Å; D594-N618 PolarHBondContact OD1-OD1 2.93Å; D594-T637 WeakPolarHBondContact CA-OG1 3.41Å; D594-T637 PolarHBondContact OD1-OG1 2.87Å
595	E	89	Confident	89.3	Confident	30 Å²	30	61.8 Å²	61.8	14%	0.14	32%	0.323	C	S	.	.			trans	-117.9	79	178.8	-66.2	178	121.7	0	0	111.1	C542 P543 R544 T545 T637	C542-E595 WeakPolarHBondContact CA-OE2 3.42Å; C542-E595 HydrophobicContact CB-CB 4.08Å; C542-E595 WeakPolarHBondContact CB-OE2 3.21Å; C542-E595 PolarHBondContact SG-O 2.83Å; C542-E595 VanDerWaalsContact SG-O 3.36Å; P543-E595 WeakPolarHBondContact CD-OE1 2.97Å; P543-E595 WeakPolarHBondContact CG-OE1 3.4Å; R544-E595 WeakPolarHBondContact CB-OE1 3.33Å; R544-E595 PolarHBondContact N-OE1 2.96Å; R544-E595 PolarHBondContact N-OE2 3.08Å; T545-E595 VanDerWaalsContact CB-OE2 3.25Å; T545-E595 WeakPolarHBondContact CB-OE2 3.26Å; T545-E595 PolarHBondContact N-OE2 2.75Å; T545-E595 PolarHBondContact OG1-OE2 3.06Å; E595-T637 HydrophobicContact CB-CG2 3.89Å; E595-T637 PolarHBondContact N-OG1 3.24Å; E595-T637 WeakPolarHBondContact O-CG2 3.47Å
596	F	90.7	Very high	89.6	Confident	87 Å²	87	58.2 Å²	58.2	38%	0.382	31%	0.305	S	S	.	.			trans	-83.4	126.4	179.3	-53	-43.2	0	0	0	112.3	D594 N634	D594-F596 HydrophobicContact CB-CD1 4.34Å; D594-F596 HydrophobicContact CB-CD2 4.41Å; D594-F596 HydrophobicContact CB-CE1 3.7Å; D594-F596 HydrophobicContact CB-CE2 3.78Å; D594-F596 HydrophobicContact CB-CZ 3.38Å; F596-N634 HydrophobicContact CD2-CB 4.21Å; F596-N634 HydrophobicContact CE2-CB 4.5Å; F596-N634 VanDerWaalsContact CE2-O 3.24Å; F596-N634 WeakPolarHBondContact CE2-O 3.25Å; F596-N634 HydrophobicContact CG-CB 4.32Å; F596-N634 WeakPolarHBondContact CZ-O 3.37Å
597	H	85.7	Confident	89.8	Confident	68 Å²	68	58 Å²	58	32%	0.315	30%	0.303	S	S	.	.			trans	-121.9	136.1	177	-165.2	-87.6	0	0	0	111.9	E541 S599 L600 R601	E541-H597 HydrophobicContact CB-CB 4.07Å; E541-H597 HydrophobicContact CG-CB 4.43Å; H597-S599 VanDerWaalsContact C-N 3.26Å; H597-S599 PolarHBondContact CE1-OG 3.49Å; H597-S599 VanDerWaalsContact CE1-OG 3.28Å; H597-S599 PolarHBondContact ND1-N 2.91Å; H597-S599 PolarHBondContact ND1-OG 2.74Å; H597-S599 PolarHBondContact O-N 2.9Å; H597-S599 VanDerWaalsContact O-N 3.15Å; H597-L600 HydrophobicContact CB-CB 4.31Å; H597-L600 HydrophobicContact CB-CD1 4.12Å; H597-L600 HydrophobicContact CB-CG 4.15Å; H597-L600 PolarHBondContact O-N 2.82Å; H597-L600 VanDerWaalsContact O-O 3.11Å; H597-R601 PolarHBondContact O-NH1 2.85Å
598	P	85.8	Confident	90.3	Very high	98 Å²	98	55.6 Å²	55.6	64%	0.636	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.4	-176	-27.5	34.6	0	0	0	115.7	L600 R601	P598-L600 VanDerWaalsContact C-N 3.34Å; P598-R601 PolarHBondContact O-NE 2.69Å
599	S	87.1	Confident	90.8	Very high	72 Å²	72	50.7 Å²	50.7	50%	0.503	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.6	178.4	64.8	0	0	0	0	114	H597	H597-S599 VanDerWaalsContact C-N 3.26Å; H597-S599 PolarHBondContact CE1-OG 3.49Å; H597-S599 VanDerWaalsContact CE1-OG 3.28Å; H597-S599 PolarHBondContact ND1-N 2.91Å; H597-S599 PolarHBondContact ND1-OG 2.74Å; H597-S599 PolarHBondContact O-N 2.9Å; H597-S599 VanDerWaalsContact O-N 3.15Å
600	L	90.2	Very high	91.6	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.094	25%	0.245	C	C	.	.			trans	-104.4	109.5	-177.4	-59.5	-176.7	0	0	0	109	C538 E541 H597 P598 V638	C538-L600 HydrophobicContact CB-CD1 3.98Å; E541-L600 HydrophobicContact CB-CD1 3.53Å; E541-L600 HydrophobicContact CB-CG 4.38Å; E541-L600 HydrophobicContact CG-CD1 4.08Å; E541-L600 HydrophobicContact CG-CG 4.45Å; H597-L600 HydrophobicContact CB-CB 4.31Å; H597-L600 HydrophobicContact CB-CD1 4.12Å; H597-L600 HydrophobicContact CB-CG 4.15Å; H597-L600 PolarHBondContact O-N 2.82Å; H597-L600 VanDerWaalsContact O-O 3.11Å; P598-L600 VanDerWaalsContact C-N 3.34Å; L600-V638 HydrophobicContact CB-CB 3.97Å; L600-V638 HydrophobicContact CB-CG1 4.01Å; L600-V638 VanDerWaalsContact CD1-O 3.3Å; L600-V638 WeakPolarHBondContact CD1-O 3.48Å
601	R	90.8	Very high	91.9	Very high	68 Å²	68	47.6 Å²	47.6	26%	0.257	24%	0.238	S	C	.	.			trans	-140.7	154.7	-173.8	-61.9	-70.7	180	-110	13.3	109.8	H597 P598 D603 D633 N634 R641	H597-R601 PolarHBondContact O-NH1 2.85Å; P598-R601 PolarHBondContact O-NE 2.69Å; R601-D603 HydrophobicContact CB-CB 4.27Å; R601-D603 PolarHBondContact O-N 2.95Å; R601-D603 VanDerWaalsContact O-N 3.08Å; R601-D633 WeakPolarHBondContact CA-OD1 3.47Å; R601-D633 VanDerWaalsContact CD-CG 3.48Å; R601-D633 WeakPolarHBondContact CD-OD2 3.44Å; R601-N634 PolarHBondContact NH1-OD1 2.69Å; R601-R641 PolarHBondContact O-NH2 2.84Å
602	H	92.7	Very high	92	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-81.9	39.9	171.1	-56.4	86.5	0	0	0	111.2	R604 S609 F623 P628 T629 D633 V638	H602-R604 PolarHBondContact O-N 2.86Å; H602-S609 PolarHBondContact CD2-OG 2.98Å; H602-S609 WeakPolarHBondContact NE2-CB 3.28Å; H602-S609 PolarHBondContact NE2-OG 2.82Å; H602-F623 AromaticContact NE2-CZ 3.97Å; H602-P628 WeakPolarHBondContact O-CA 3.4Å; H602-T629 VanDerWaalsContact CB-O 3.3Å; H602-T629 WeakPolarHBondContact CB-O 3.21Å; H602-T629 WeakPolarHBondContact CB-OG1 3.39Å; H602-T629 PolarHBondContact O-N 3.18Å; H602-D633 IonicContact CE1-OD1 2.69Å; H602-D633 IonicContact CG-OD1 3.76Å; H602-D633 PolarHBondContact N-OD1 2.93Å; H602-D633 IonicContact ND1-OD1 3.62Å; H602-D633 PolarHBondContact ND1-OD1 2.88Å; H602-V638 WeakPolarHBondContact CE1-CG2 3.37Å
603	D	88.6	Confident	91.9	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	25%	0.254	S	S	.	.			trans	-70.8	-17.3	-177.5	67.9	-26.3	0	0	0	113.1	R601 R641	R601-D603 HydrophobicContact CB-CB 4.27Å; R601-D603 PolarHBondContact O-N 2.95Å; R601-D603 VanDerWaalsContact O-N 3.08Å; D603-R641 IonicContact OD1-CZ 3.79Å; D603-R641 IonicContact OD1-NH2 2.72Å; D603-R641 PolarHBondContact OD1-NH2 3.19Å; D603-R641 IonicContact OD2-NH2 2.7Å
604	R	90.8	Very high	91.9	Very high	121 Å²	121	43.6 Å²	43.6	46%	0.457	24%	0.243	S	C	.	.	S	Bend	trans	-142.2	155.3	-173.2	69.3	-170.6	75.1	-176.4	1.3	111.4	H602 T607 R641	H602-R604 PolarHBondContact O-N 2.86Å; R604-T607 PolarHBondContact O-OG1 2.82Å; R604-R641 VanDerWaalsContact CD-CZ 3.49Å; R604-R641 VanDerWaalsContact NE-CZ 3.29Å
605	P	93.2	Very high	91.7	Very high	45 Å²	45	47.7 Å²	47.7	29%	0.292	27%	0.271	S	S	.	.	S	Bend	trans	-62.5	164.4	172.6	30.4	-37.4	0	0	0	111.3	T607 V626	P605-T607 VanDerWaalsContact C-N 3.31Å; P605-T607 PolarHBondContact O-N 3.43Å; P605-V626 VanDerWaalsContact CB-O 3.3Å; P605-V626 WeakPolarHBondContact CB-O 3.49Å
606	Y	96.4	Very high	91.8	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.161	29%	0.287	C	S	.	.	S	Bend	trans	64.8	32.8	178.2	-37.4	-70.6	0	0	0	114.3	T625 V626 R641 V642 M646 V649 Q650	Y606-T625 WeakPolarHBondContact CA-O 3.38Å; Y606-T625 PolarHBondContact N-O 2.94Å; Y606-T625 PolarHBondContact N-OG1 2.91Å; Y606-V626 HydrophobicContact CE1-CG1 4.47Å; Y606-R641 WeakPolarHBondContact O-CA 3.47Å; Y606-V642 PolarHBondContact O-N 3.27Å; Y606-M646 HydrophobicContact CD1-CB 4.28Å; Y606-M646 HydrophobicContact CD1-CG 4.31Å; Y606-M646 HydrophobicContact CD2-CB 4.3Å; Y606-M646 HydrophobicContact CD2-CE 4.44Å; Y606-M646 HydrophobicContact CD2-CG 3.83Å; Y606-M646 HydrophobicContact CD2-SD 4.08Å; Y606-M646 HydrophobicContact CE1-CB 3.95Å; Y606-M646 HydrophobicContact CE1-CG 4.41Å; Y606-M646 HydrophobicContact CE2-CB 3.97Å; Y606-M646 HydrophobicContact CE2-CG 3.95Å; Y606-M646 HydrophobicContact CE2-SD 4.09Å; Y606-M646 HydrophobicContact CG-CB 4.45Å; Y606-M646 HydrophobicContact CG-CG 4.02Å; Y606-V649 HydrophobicContact CD1-CB 4.16Å; Y606-V649 HydrophobicContact CD1-CG1 4Å; Y606-V649 HydrophobicContact CE1-CB 4.28Å; Y606-V649 HydrophobicContact CE1-CG1 4.29Å; Y606-Q650 HydrophobicContact CE1-CG 4.2Å; Y606-Q650 WeakPolarHBondContact OH-CG 3.32Å
607	T	96.6	Very high	91.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.5	171.9	-60.1	0	0	0	0	109.3	R604 P605 I624 T625 V638	R604-T607 PolarHBondContact O-OG1 2.82Å; P605-T607 VanDerWaalsContact C-N 3.31Å; P605-T607 PolarHBondContact O-N 3.43Å; T607-I624 WeakPolarHBondContact O-CA 3.5Å; T607-T625 PolarHBondContact N-OG1 2.84Å; T607-T625 VanDerWaalsContact N-OG1 3.11Å; T607-T625 PolarHBondContact O-N 3.47Å; T607-V638 HydrophobicContact CG2-CB 4.35Å; T607-V638 HydrophobicContact CG2-CG1 3.44Å; T607-V638 VanDerWaalsContact CG2-CG1 3.44Å; T607-V638 HydrophobicContact CG2-CG2 4.02Å
608	V	97.4	Very high	92.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.7	-176.8	-170.3	0	0	0	0	108.9	I535 F622 F623 I624 F639 G640 V642	I535-V608 HydrophobicContact CD1-CG1 4.28Å; I535-V608 HydrophobicContact CD1-CG2 3.92Å; I535-V608 HydrophobicContact CG1-CG2 4.25Å; I535-V608 HydrophobicContact CG2-CG2 3.98Å; V608-F622 HydrophobicContact CG1-CD2 3.98Å; V608-F623 WeakPolarHBondContact CA-O 3.41Å; V608-I624 HydrophobicContact CG1-CG1 4.41Å; V608-I624 HydrophobicContact CG2-CG1 4.22Å; V608-F639 HydrophobicContact CG1-CE1 3.92Å; V608-F639 HydrophobicContact CG1-CE2 4.04Å; V608-F639 HydrophobicContact CG1-CZ 3.57Å; V608-F639 PolarHBondContact O-N 3.4Å; V608-G640 WeakPolarHBondContact CB-O 3.49Å; V608-G640 PolarHBondContact N-O 3.16Å; V608-G640 PolarHBondContact O-N 3.35Å; V608-V642 HydrophobicContact CG2-CG2 4.17Å
609	S	97.1	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.5	-171.8	-56.4	0	0	0	0	112.6	H602 F622 F623 T637 V638	H602-S609 PolarHBondContact CD2-OG 2.98Å; H602-S609 WeakPolarHBondContact NE2-CB 3.28Å; H602-S609 PolarHBondContact NE2-OG 2.82Å; S609-F622 CarbonylContact O-C 3.51Å; S609-F622 VanDerWaalsContact O-CA 3.28Å; S609-F622 WeakPolarHBondContact O-CA 3.48Å; S609-F622 WeakPolarHBondContact O-CB 3.41Å; S609-F623 VanDerWaalsContact CB-CZ 3.5Å; S609-F623 PolarHBondContact N-O 3.3Å; S609-F623 PolarHBondContact O-N 3.46Å; S609-T637 CarbonylContact C-O 3.53Å; S609-T637 WeakPolarHBondContact CA-O 3.17Å; S609-T637 WeakPolarHBondContact CB-O 3.37Å; S609-V638 WeakPolarHBondContact OG-CG2 3.29Å
610	M	96.8	Very high	93	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.5	177.6	-66.8	-57.8	-67.1	0	0	111.8	T545 F592 N618 G619 Q621 F622 F623 H636 T637 F639	T545-M610 HydrophobicContact CG2-CG 3.39Å; T545-M610 HydrophobicContact CG2-SD 3.62Å; F592-M610 HydrophobicContact CE1-CE 4.13Å; F592-M610 HydrophobicContact CZ-CE 4.03Å; M610-N618 WeakPolarHBondContact CB-OD1 3.33Å; M610-N618 HydrophobicContact CE-CB 4.18Å; M610-G619 VanDerWaalsContact CE-O 3.31Å; M610-G619 WeakPolarHBondContact CE-O 3.11Å; M610-Q621 WeakPolarHBondContact CE-O 3.34Å; M610-F622 HydrophobicContact SD-CB 4.37Å; M610-F623 WeakPolarHBondContact O-CE1 3.3Å; M610-H636 WeakPolarHBondContact O-CB 3.35Å; M610-H636 PolarHBondContact O-ND1 3.37Å; M610-T637 PolarHBondContact N-O 2.87Å; M610-F639 HydrophobicContact CG-CD1 3.95Å; M610-F639 HydrophobicContact CG-CE1 4.01Å; M610-F639 HydrophobicContact SD-CD1 4Å; M610-F639 HydrophobicContact SD-CE1 3.56Å; M610-F639 VanDerWaalsContact SD-CE1 3.56Å; M610-F639 HydrophobicContact SD-CZ 4.2Å
611	A	95	Very high	93.3	Very high	16 Å²	16	36.9 Å²	36.9	13%	0.132	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.6	170	0	0	0	0	0	108.7	Q573 Q621 F623	Q573-A611 HydrophobicContact CG-CB 4.38Å; A611-Q621 HydrophobicContact CB-CB 3.78Å; A611-Q621 PolarHBondContact N-O 3.08Å; A611-F623 HydrophobicContact CB-CD1 4.12Å
612	N	93.2	Very high	93.6	Very high	30 Å²	30	33.7 Å²	33.7	16%	0.16	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.1	178.4	61.6	18.7	0	0	0	110.3	D594 G614 T617 K635 H636	D594-N612 PolarHBondContact OD1-ND2 3.2Å; D594-N612 VanDerWaalsContact OD1-ND2 3.16Å; N612-G614 WeakPolarHBondContact CB-O 3.46Å; N612-T617 WeakPolarHBondContact CB-OG1 3.44Å; N612-K635 PolarHBondContact ND2-O 2.97Å; N612-H636 PolarHBondContact OD1-CE1 2.82Å; N612-H636 PolarHBondContact OD1-ND1 2.78Å
613	A	89.4	Confident	93.8	Very high	100 Å²	100	34.2 Å²	34.2	83%	0.826	20%	0.202	S	C	*	.	S	Bend	trans	-96	2.6	175.5	0	0	0	0	0	112.6	T617	A613-T617 PolarHBondContact N-OG1 3.32Å
614	G	90.2	Very high	94.3	Very high	21 Å²	21	30.6 Å²	30.6	22%	0.216	18%	0.183	C	C	.	.	S	Bend	trans	167.4	-179.5	-179.7	0	0	0	0	0	110.1	N612 N616 T617	N612-G614 WeakPolarHBondContact CB-O 3.46Å; G614-N616 PolarHBondContact O-N 2.9Å; G614-T617 PolarHBondContact N-OG1 2.79Å; G614-T617 PolarHBondContact O-N 3.45Å; G614-T617 PolarHBondContact O-OG1 2.86Å; G614-T617 VanDerWaalsContact O-OG1 3.05Å
615	P	89.6	Confident	94.6	Very high	108 Å²	108	24.8 Å²	24.8	70%	0.701	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	133.2	174.2	-22.2	33.4	0	0	0	111.2	D594 T617	D594-P615 WeakPolarHBondContact OD2-CA 3.24Å; P615-T617 VanDerWaalsContact C-N 3.29Å; P615-T617 PolarHBondContact O-N 2.87Å
616	N	90.1	Very high	94.7	Very high	90 Å²	90	23.2 Å²	23.2	48%	0.481	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	26.9	177.3	-54.8	-47.9	0	0	0	115.8	F592 E593 D594 G614	F592-N616 CarbonylContact O-C 3.59Å; F592-N616 VanDerWaalsContact O-C 3.23Å; F592-N616 VanDerWaalsContact O-O 3.07Å; E593-N616 WeakPolarHBondContact CA-OD1 3.15Å; D594-N616 PolarHBondContact N-OD1 2.89Å; D594-N616 PolarHBondContact OD2-N 2.87Å; G614-N616 PolarHBondContact O-N 2.9Å
617	T	93.1	Very high	94.5	Very high	28 Å²	28	22.6 Å²	22.6	17%	0.172	15%	0.154	C	C	.	.			trans	-109.7	40.5	177.7	75	0	0	0	0	111.4	E591 N612 A613 G614 P615	E591-T617 VanDerWaalsContact CD-CB 3.47Å; E591-T617 WeakPolarHBondContact OE2-CA 3.34Å; E591-T617 VanDerWaalsContact OE2-CB 3.24Å; E591-T617 WeakPolarHBondContact OE2-CB 3.28Å; E591-T617 VanDerWaalsContact OE2-CG2 3.3Å; E591-T617 WeakPolarHBondContact OE2-CG2 3.33Å; N612-T617 WeakPolarHBondContact CB-OG1 3.44Å; A613-T617 PolarHBondContact N-OG1 3.32Å; G614-T617 PolarHBondContact N-OG1 2.79Å; G614-T617 PolarHBondContact O-N 3.45Å; G614-T617 PolarHBondContact O-OG1 2.86Å; G614-T617 VanDerWaalsContact O-OG1 3.05Å; P615-T617 VanDerWaalsContact C-N 3.29Å; P615-T617 PolarHBondContact O-N 2.87Å
618	N	93.9	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.8	-179.6	-67.6	-49.8	0	0	0	110.1	E591 F592 E593 D594 M610	E591-N618 CarbonylContact C-O 3.59Å; E591-N618 VanDerWaalsContact CA-O 3.26Å; E591-N618 WeakPolarHBondContact CA-O 3.1Å; F592-N618 HydrophobicContact CD1-CB 3.61Å; F592-N618 WeakPolarHBondContact CD1-O 3.39Å; F592-N618 HydrophobicContact CD2-CB 4.05Å; F592-N618 HydrophobicContact CE1-CB 3.31Å; F592-N618 WeakPolarHBondContact CE1-O 3.43Å; F592-N618 HydrophobicContact CE2-CB 3.77Å; F592-N618 HydrophobicContact CG-CB 3.98Å; F592-N618 HydrophobicContact CZ-CB 3.4Å; F592-N618 PolarHBondContact N-O 3.02Å; F592-N618 WeakPolarHBondContact O-CB 3.31Å; F592-N618 PolarHBondContact O-N 3.24Å; E593-N618 PolarHBondContact O-ND2 3.03Å; D594-N618 WeakPolarHBondContact CA-ND2 3.43Å; D594-N618 PolarHBondContact OD1-ND2 2.89Å; D594-N618 PolarHBondContact OD1-OD1 2.93Å; M610-N618 WeakPolarHBondContact CB-OD1 3.33Å; M610-N618 HydrophobicContact CE-CB 4.18Å
619	G	93.2	Very high	94.2	Very high	8 Å²	8	25.8 Å²	25.8	8%	0.082	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-123.2	176.9	0	0	0	0	0	111.7	N548 M610	N548-G619 PolarHBondContact ND2-O 3.49Å; M610-G619 VanDerWaalsContact CE-O 3.31Å; M610-G619 WeakPolarHBondContact CE-O 3.11Å
620	S	94.9	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-16.1	173.2	61.3	0	0	0	0	114.4	Y558 G575 G584 E585	Y558-S620 WeakPolarHBondContact CE1-O 3.39Å; Y558-S620 PolarHBondContact OH-O 3.45Å; G575-S620 PolarHBondContact O-OG 3.35Å; G584-S620 WeakPolarHBondContact CA-OG 3.49Å; E585-S620 WeakPolarHBondContact O-CB 3.43Å
621	Q	96.6	Very high	93.8	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142.3	-173	-63.4	-172.5	46	0	0	112.2	H564 T574 C576 G581 G583 M610 A611	H564-Q621 PolarHBondContact CE1-OE1 3.46Å; H564-Q621 PolarHBondContact NE2-OE1 2.78Å; T574-Q621 WeakPolarHBondContact O-CA 3.26Å; C576-Q621 HydrophobicContact CB-CG 4.01Å; G581-Q621 VanDerWaalsContact C-NE2 3.26Å; G581-Q621 PolarHBondContact O-NE2 3.42Å; G583-Q621 PolarHBondContact O-NE2 3.28Å; M610-Q621 WeakPolarHBondContact CE-O 3.34Å; A611-Q621 HydrophobicContact CB-CB 3.78Å; A611-Q621 PolarHBondContact N-O 3.08Å
622	F	97.3	Very high	93.7	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.3	176.2	68	-87.3	0	0	0	110.8	L526 F549 Y558 T574 V608 S609 M610 F639 I670	L526-F622 HydrophobicContact CD2-CZ 3.89Å; F549-F622 HydrophobicContact CD2-CD1 4.38Å; F549-F622 HydrophobicContact CD2-CE1 4.32Å; F549-F622 HydrophobicContact CE2-CD1 4.29Å; F549-F622 AromaticContact CE2-CE1 3.84Å; F549-F622 HydrophobicContact CE2-CE1 3.84Å; F549-F622 AromaticContact CE2-CZ 3.99Å; F549-F622 HydrophobicContact CE2-CZ 3.99Å; Y558-F622 HydrophobicContact CD1-CE1 4.31Å; Y558-F622 HydrophobicContact CE1-CD1 4.29Å; Y558-F622 AromaticContact CE1-CE1 3.92Å; Y558-F622 HydrophobicContact CE1-CE1 3.92Å; Y558-F622 HydrophobicContact CE2-CE1 4.48Å; T574-F622 HydrophobicContact CG2-CD1 4.4Å; T574-F622 HydrophobicContact CG2-CD2 4.35Å; T574-F622 HydrophobicContact CG2-CE1 3.79Å; T574-F622 HydrophobicContact CG2-CE2 3.73Å; T574-F622 HydrophobicContact CG2-CZ 3.39Å; T574-F622 PolarHBondContact N-O 3.11Å; T574-F622 PolarHBondContact O-N 3.46Å; V608-F622 HydrophobicContact CG1-CD2 3.98Å; S609-F622 CarbonylContact O-C 3.51Å; S609-F622 VanDerWaalsContact O-CA 3.28Å; S609-F622 WeakPolarHBondContact O-CA 3.48Å; S609-F622 WeakPolarHBondContact O-CB 3.41Å; M610-F622 HydrophobicContact SD-CB 4.37Å; F622-F639 HydrophobicContact CB-CE1 4.02Å; F622-F639 HydrophobicContact CB-CZ 4.04Å; F622-F639 HydrophobicContact CG-CZ 4.27Å; F622-I670 HydrophobicContact CZ-CD1 4.5Å
623	F	97.2	Very high	93.5	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.7	176.9	64.8	-92.9	0	0	0	112.2	M571 I572 Q573 H602 V608 S609 M610 A611 T625 L632 H636	M571-F623 HydrophobicContact CB-CD2 4.14Å; M571-F623 HydrophobicContact CG-CD2 4.5Å; M571-F623 HydrophobicContact SD-CB 4.08Å; I572-F623 CarbonylContact O-C 3.46Å; I572-F623 WeakPolarHBondContact O-CA 3.35Å; I572-F623 WeakPolarHBondContact O-CB 3.31Å; Q573-F623 HydrophobicContact CB-CB 3.99Å; Q573-F623 HydrophobicContact CG-CB 4.27Å; H602-F623 AromaticContact NE2-CZ 3.97Å; V608-F623 WeakPolarHBondContact CA-O 3.41Å; S609-F623 VanDerWaalsContact CB-CZ 3.5Å; S609-F623 PolarHBondContact N-O 3.3Å; S609-F623 PolarHBondContact O-N 3.46Å; M610-F623 WeakPolarHBondContact O-CE1 3.3Å; A611-F623 HydrophobicContact CB-CD1 4.12Å; F623-T625 HydrophobicContact CD2-CG2 3.96Å; F623-T625 HydrophobicContact CE2-CG2 3.71Å; F623-L632 HydrophobicContact CE2-CD1 3.86Å; F623-L632 HydrophobicContact CZ-CD1 3.87Å; F623-H636 HydrophobicContact CE1-CB 4.02Å; F623-H636 AromaticContact CE1-CG 3.81Å; F623-H636 AromaticContact CE1-ND1 3.96Å; F623-H636 HydrophobicContact CZ-CB 3.92Å; F623-H636 AromaticContact CZ-CG 3.91Å
624	I	97.8	Very high	93.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.6	173.9	-51.2	-178.6	0	0	0	107.9	I533 I535 M571 I572 T607 V608 V642 V649	I533-I624 HydrophobicContact CD1-CD1 4.5Å; I533-I624 HydrophobicContact CG2-CD1 4.3Å; I535-I624 HydrophobicContact CD1-CD1 4.44Å; M571-I624 CarbonylContact C-O 3.49Å; M571-I624 VanDerWaalsContact CA-O 3.25Å; M571-I624 WeakPolarHBondContact CA-O 3.45Å; M571-I624 WeakPolarHBondContact CB-O 3.36Å; I572-I624 HydrophobicContact CD1-CB 4.35Å; I572-I624 HydrophobicContact CD1-CD1 4.48Å; I572-I624 HydrophobicContact CG1-CB 3.84Å; I572-I624 HydrophobicContact CG1-CG1 4.46Å; I572-I624 PolarHBondContact N-O 2.75Å; I572-I624 PolarHBondContact O-N 3.44Å; T607-I624 WeakPolarHBondContact O-CA 3.5Å; V608-I624 HydrophobicContact CG1-CG1 4.41Å; V608-I624 HydrophobicContact CG2-CG1 4.22Å; I624-V642 HydrophobicContact CD1-CG2 4.3Å; I624-V642 HydrophobicContact CG2-CG2 3.75Å; I624-V649 HydrophobicContact CB-CG1 4.46Å; I624-V649 HydrophobicContact CG2-CG1 3.86Å; I624-V649 HydrophobicContact CG2-CG2 4.37Å
625	T	97	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	148.8	177.9	65.6	0	0	0	0	111.4	F570 Y606 T607 F623 A627 T629	F570-T625 WeakPolarHBondContact O-CA 3.44Å; Y606-T625 WeakPolarHBondContact CA-O 3.38Å; Y606-T625 PolarHBondContact N-O 2.94Å; Y606-T625 PolarHBondContact N-OG1 2.91Å; T607-T625 PolarHBondContact N-OG1 2.84Å; T607-T625 VanDerWaalsContact N-OG1 3.11Å; T607-T625 PolarHBondContact O-N 3.47Å; F623-T625 HydrophobicContact CD2-CG2 3.96Å; F623-T625 HydrophobicContact CE2-CG2 3.71Å; T625-A627 WeakPolarHBondContact CB-O 3.41Å; T625-T629 HydrophobicContact CG2-CG2 4.46Å; T625-T629 WeakPolarHBondContact CG2-OG1 3.49Å
626	V	95.5	Very high	93.9	Very high	12 Å²	12	37 Å²	37	7%	0.073	19%	0.194	C	C	.	.	S	Bend	trans	-111.3	-4.5	171	-76.2	0	0	0	0	113.1	F570 P605 Y606 V649	F570-V626 VanDerWaalsContact C-CG2 3.43Å; F570-V626 VanDerWaalsContact N-CG2 3.34Å; F570-V626 WeakPolarHBondContact O-CG2 3.4Å; F570-V626 PolarHBondContact O-N 2.98Å; P605-V626 VanDerWaalsContact CB-O 3.3Å; P605-V626 WeakPolarHBondContact CB-O 3.49Å; Y606-V626 HydrophobicContact CE1-CG1 4.47Å; V626-V649 HydrophobicContact CG1-CG1 3.67Å
627	A	93.1	Very high	94.2	Very high	28 Å²	28	32.8 Å²	32.8	23%	0.231	17%	0.171	C	C	.	.	S	Bend	trans	-137.8	162	173.5	0	0	0	0	0	110.3	G569 T625 T629	G569-A627 WeakPolarHBondContact O-CB 3.49Å; T625-A627 WeakPolarHBondContact CB-O 3.41Å; A627-T629 PolarHBondContact O-N 2.81Å
628	P	93.4	Very high	94.3	Very high	65 Å²	65	31.8 Å²	31.8	42%	0.422	16%	0.164	S	C	.	.			trans	-57.8	132.3	166.1	-21.7	33.5	0	0	0	110.6	H602	H602-P628 WeakPolarHBondContact O-CA 3.4Å
629	T	94	Very high	94.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.164	C	C	.	.			trans	-136.3	60.7	-175.4	48.2	0	0	0	0	112	F570 H602 T625 A627 W631 L632	F570-T629 HydrophobicContact CD2-CG2 3.55Å; F570-T629 HydrophobicContact CE2-CG2 3.48Å; F570-T629 VanDerWaalsContact CE2-CG2 3.48Å; H602-T629 VanDerWaalsContact CB-O 3.3Å; H602-T629 WeakPolarHBondContact CB-O 3.21Å; H602-T629 WeakPolarHBondContact CB-OG1 3.39Å; H602-T629 PolarHBondContact O-N 3.18Å; T625-T629 HydrophobicContact CG2-CG2 4.46Å; T625-T629 WeakPolarHBondContact CG2-OG1 3.49Å; A627-T629 PolarHBondContact O-N 2.81Å; T629-W631 HydrophobicContact CG2-CH2 3.69Å; T629-W631 HydrophobicContact CG2-CZ2 3.55Å; T629-W631 HydrophobicContact CG2-CZ3 4.48Å; T629-W631 PolarHBondContact O-N 3.1Å; T629-L632 HydrophobicContact CG2-CD1 4.5Å; T629-L632 WeakPolarHBondContact O-CB 3.11Å; T629-L632 PolarHBondContact O-N 3.32Å
630	P	91.9	Very high	94.5	Very high	73 Å²	73	31.4 Å²	31.4	47%	0.474	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-61.2	-21.9	-170.5	-20.6	32.8	0	0	0	114.6	L632 D633	P630-L632 PolarHBondContact O-N 2.99Å; P630-D633 VanDerWaalsContact O-CB 3.26Å; P630-D633 WeakPolarHBondContact O-CB 3.47Å; P630-D633 PolarHBondContact O-N 3.25Å
631	W	92.7	Very high	94.5	Very high	149 Å²	149	34 Å²	34	56%	0.564	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-68.8	-9.5	177.3	61	87.1	0	0	0	114.2	F570 T629 K635	F570-W631 AromaticContact CD2-CZ2 3.98Å; F570-W631 HydrophobicContact CD2-CZ2 3.98Å; F570-W631 AromaticContact CE2-CZ2 3.62Å; F570-W631 HydrophobicContact CE2-CZ2 3.62Å; F570-W631 AromaticContact CE2-NE1 3.98Å; T629-W631 HydrophobicContact CG2-CH2 3.69Å; T629-W631 HydrophobicContact CG2-CZ2 3.55Å; T629-W631 HydrophobicContact CG2-CZ3 4.48Å; T629-W631 PolarHBondContact O-N 3.1Å; W631-K635 PolarHBondContact O-NZ 3.49Å
632	L	93.5	Very high	94.5	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.079	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-91.1	-9.1	173.2	-58.7	-175.7	0	0	0	112.6	F570 F623 T629 P630 N634 K635 H636	F570-L632 HydrophobicContact CE2-CD1 4.04Å; F570-L632 HydrophobicContact CZ-CD1 4.08Å; F623-L632 HydrophobicContact CE2-CD1 3.86Å; F623-L632 HydrophobicContact CZ-CD1 3.87Å; T629-L632 HydrophobicContact CG2-CD1 4.5Å; T629-L632 WeakPolarHBondContact O-CB 3.11Å; T629-L632 PolarHBondContact O-N 3.32Å; P630-L632 PolarHBondContact O-N 2.99Å; L632-N634 PolarHBondContact O-N 2.73Å; L632-K635 PolarHBondContact O-N 3.17Å; L632-K635 VanDerWaalsContact O-N 3.11Å; L632-H636 PolarHBondContact O-N 3.04Å
633	D	89.3	Confident	94.3	Very high	33 Å²	33	36.9 Å²	36.9	18%	0.176	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	135.4	178.8	-68.8	-24	0	0	0	111.3	R601 H602 P630 K635	R601-D633 WeakPolarHBondContact CA-OD1 3.47Å; R601-D633 VanDerWaalsContact CD-CG 3.48Å; R601-D633 WeakPolarHBondContact CD-OD2 3.44Å; H602-D633 IonicContact CE1-OD1 2.69Å; H602-D633 IonicContact CG-OD1 3.76Å; H602-D633 PolarHBondContact N-OD1 2.93Å; H602-D633 IonicContact ND1-OD1 3.62Å; H602-D633 PolarHBondContact ND1-OD1 2.88Å; P630-D633 VanDerWaalsContact O-CB 3.26Å; P630-D633 WeakPolarHBondContact O-CB 3.47Å; P630-D633 PolarHBondContact O-N 3.25Å; D633-K635 PolarHBondContact O-N 3.37Å; D633-K635 VanDerWaalsContact O-N 3.16Å
634	N	89.4	Confident	94.2	Very high	86 Å²	86	42.7 Å²	42.7	46%	0.46	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	20	-174.4	-42.7	-57.1	0	0	0	114.4	F596 R601 L632	F596-N634 HydrophobicContact CD2-CB 4.21Å; F596-N634 HydrophobicContact CE2-CB 4.5Å; F596-N634 VanDerWaalsContact CE2-O 3.24Å; F596-N634 WeakPolarHBondContact CE2-O 3.25Å; F596-N634 HydrophobicContact CG-CB 4.32Å; F596-N634 WeakPolarHBondContact CZ-O 3.37Å; R601-N634 PolarHBondContact NH1-OD1 2.69Å; L632-N634 PolarHBondContact O-N 2.73Å
635	K	92.7	Very high	93.9	Very high	124 Å²	124	42.8 Å²	42.8	54%	0.539	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-35.3	167.6	-65.1	-178.8	-176.8	165.7	0	112	N612 W631 L632 D633	N612-K635 PolarHBondContact ND2-O 2.97Å; W631-K635 PolarHBondContact O-NZ 3.49Å; L632-K635 PolarHBondContact O-N 3.17Å; L632-K635 VanDerWaalsContact O-N 3.11Å; D633-K635 PolarHBondContact O-N 3.37Å; D633-K635 VanDerWaalsContact O-N 3.16Å
636	H	95.2	Very high	93.8	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.153	23%	0.229	C	C	.	.	S	Bend	trans	-123.1	133.1	178.2	-61.2	-73.1	0	0	0	109.8	M610 N612 F623 L632 V638	M610-H636 WeakPolarHBondContact O-CB 3.35Å; M610-H636 PolarHBondContact O-ND1 3.37Å; N612-H636 PolarHBondContact OD1-CE1 2.82Å; N612-H636 PolarHBondContact OD1-ND1 2.78Å; F623-H636 HydrophobicContact CE1-CB 4.02Å; F623-H636 AromaticContact CE1-CG 3.81Å; F623-H636 AromaticContact CE1-ND1 3.96Å; F623-H636 HydrophobicContact CZ-CB 3.92Å; F623-H636 AromaticContact CZ-CG 3.91Å; L632-H636 PolarHBondContact O-N 3.04Å; H636-V638 PolarHBondContact O-N 2.74Å
637	T	95.7	Very high	93.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.			trans	-69.6	114.2	179.9	-63.9	0	0	0	0	110.2	C542 T545 D594 E595 S609 M610	C542-T637 HydrophobicContact CB-CG2 4.38Å; T545-T637 HydrophobicContact CG2-CG2 4.09Å; T545-T637 WeakPolarHBondContact OG1-CG2 3.36Å; D594-T637 WeakPolarHBondContact CA-OG1 3.41Å; D594-T637 PolarHBondContact OD1-OG1 2.87Å; E595-T637 HydrophobicContact CB-CG2 3.89Å; E595-T637 PolarHBondContact N-OG1 3.24Å; E595-T637 WeakPolarHBondContact O-CG2 3.47Å; S609-T637 CarbonylContact C-O 3.53Å; S609-T637 WeakPolarHBondContact CA-O 3.17Å; S609-T637 WeakPolarHBondContact CB-O 3.37Å; M610-T637 PolarHBondContact N-O 2.87Å
638	V	96.4	Very high	93.9	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.4	174.4	175.4	0	0	0	0	108.2	C542 L600 H602 T607 S609 H636	C542-V638 PolarHBondContact SG-O 2.7Å; L600-V638 HydrophobicContact CB-CB 3.97Å; L600-V638 HydrophobicContact CB-CG1 4.01Å; L600-V638 VanDerWaalsContact CD1-O 3.3Å; L600-V638 WeakPolarHBondContact CD1-O 3.48Å; H602-V638 WeakPolarHBondContact CE1-CG2 3.37Å; T607-V638 HydrophobicContact CG2-CB 4.35Å; T607-V638 HydrophobicContact CG2-CG1 3.44Å; T607-V638 VanDerWaalsContact CG2-CG1 3.44Å; T607-V638 HydrophobicContact CG2-CG2 4.02Å; S609-V638 WeakPolarHBondContact OG-CG2 3.29Å; H636-V638 PolarHBondContact O-N 2.74Å
639	F	95.6	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-2.7	-175.5	69.7	-87.6	0	0	0	114.2	L537 C538 C542 T545 V546 F549 V608 M610 F622	L537-F639 HydrophobicContact CD2-CD2 3.95Å; L537-F639 HydrophobicContact CD2-CE2 4.06Å; C538-F639 PolarHBondContact N-O 3.31Å; C542-F639 HydrophobicContact CB-CB 4.23Å; T545-F639 HydrophobicContact CG2-CB 3.56Å; T545-F639 HydrophobicContact CG2-CD1 3.58Å; T545-F639 HydrophobicContact CG2-CD2 4.27Å; T545-F639 HydrophobicContact CG2-CE1 4.31Å; T545-F639 HydrophobicContact CG2-CG 3.55Å; V546-F639 HydrophobicContact CG2-CB 4.25Å; V546-F639 HydrophobicContact CG2-CD2 4.48Å; F549-F639 HydrophobicContact CB-CE2 4Å; F549-F639 HydrophobicContact CD1-CE2 4.26Å; F549-F639 AromaticContact CD2-CE2 3.9Å; F549-F639 HydrophobicContact CD2-CE2 3.9Å; F549-F639 HydrophobicContact CD2-CZ 4.06Å; F549-F639 HydrophobicContact CE2-CE2 4.49Å; F549-F639 AromaticContact CG-CE2 3.77Å; F549-F639 HydrophobicContact CG-CE2 3.77Å; F549-F639 HydrophobicContact CG-CZ 4.36Å; V608-F639 HydrophobicContact CG1-CE1 3.92Å; V608-F639 HydrophobicContact CG1-CE2 4.04Å; V608-F639 HydrophobicContact CG1-CZ 3.57Å; V608-F639 PolarHBondContact O-N 3.4Å; M610-F639 HydrophobicContact CG-CD1 3.95Å; M610-F639 HydrophobicContact CG-CE1 4.01Å; M610-F639 HydrophobicContact SD-CD1 4Å; M610-F639 HydrophobicContact SD-CE1 3.56Å; M610-F639 VanDerWaalsContact SD-CE1 3.56Å; M610-F639 HydrophobicContact SD-CZ 4.2Å; F622-F639 HydrophobicContact CB-CE1 4.02Å; F622-F639 HydrophobicContact CB-CZ 4.04Å; F622-F639 HydrophobicContact CG-CZ 4.27Å
640	G	95.1	Very high	94.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	175.1	176.7	0	0	0	0	0	114.6	R536 V608	R536-G640 CarbonylContact O-C 3.58Å; R536-G640 WeakPolarHBondContact O-CA 3.37Å; V608-G640 WeakPolarHBondContact CB-O 3.49Å; V608-G640 PolarHBondContact N-O 3.16Å; V608-G640 PolarHBondContact O-N 3.35Å
641	R	95.1	Very high	94.2	Very high	54 Å²	54	53 Å²	53	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.1	174.6	-74.5	-171.8	171.6	153.4	-1.2	111.3	I535 R536 R601 D603 R604 Y606 I643	I535-R641 CarbonylContact C-O 3.4Å; I535-R641 WeakPolarHBondContact CA-O 3.41Å; R536-R641 PolarHBondContact N-O 2.91Å; R536-R641 PolarHBondContact O-N 2.65Å; R601-R641 PolarHBondContact O-NH2 2.84Å; D603-R641 IonicContact OD1-CZ 3.79Å; D603-R641 IonicContact OD1-NH2 2.72Å; D603-R641 PolarHBondContact OD1-NH2 3.19Å; D603-R641 IonicContact OD2-NH2 2.7Å; R604-R641 VanDerWaalsContact CD-CZ 3.49Å; R604-R641 VanDerWaalsContact NE-CZ 3.29Å; Y606-R641 WeakPolarHBondContact O-CA 3.47Å; R641-I643 PolarHBondContact O-N 2.92Å
642	V	96.3	Very high	94.3	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.7	172.8	-174.3	0	0	0	0	109	I533 H534 I535 Y606 V608 I624 K644 M646 V649	I533-V642 HydrophobicContact CG2-CB 4.38Å; I533-V642 HydrophobicContact CG2-CG1 3.67Å; I533-V642 HydrophobicContact CG2-CG2 3.82Å; H534-V642 CarbonylContact O-C 3.41Å; H534-V642 VanDerWaalsContact O-CA 3.31Å; H534-V642 WeakPolarHBondContact O-CA 3.34Å; H534-V642 WeakPolarHBondContact O-CG1 3.45Å; I535-V642 HydrophobicContact CG1-CG2 4.38Å; Y606-V642 PolarHBondContact O-N 3.27Å; V608-V642 HydrophobicContact CG2-CG2 4.17Å; I624-V642 HydrophobicContact CD1-CG2 4.3Å; I624-V642 HydrophobicContact CG2-CG2 3.75Å; V642-K644 VanDerWaalsContact CG1-O 3.29Å; V642-K644 WeakPolarHBondContact CG1-O 3.25Å; V642-M646 HydrophobicContact CG1-CG 4.2Å; V642-M646 WeakPolarHBondContact O-CE 3.37Å; V642-V649 HydrophobicContact CG1-CG2 4.44Å; V642-V649 HydrophobicContact CG2-CG2 4.25Å
643	I	93.7	Very high	94.4	Very high	76 Å²	76	45.2 Å²	45.2	39%	0.39	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-23.8	179.6	53.1	166.9	0	0	0	112.8	H534 R536 R641	H534-I643 HydrophobicContact CB-CD1 4.37Å; H534-I643 HydrophobicContact CB-CG1 3.86Å; H534-I643 WeakPolarHBondContact O-CG1 3.3Å; H534-I643 PolarHBondContact O-N 2.85Å; R536-I643 HydrophobicContact CB-CD1 4.42Å; R536-I643 HydrophobicContact CB-CG2 3.72Å; R641-I643 PolarHBondContact O-N 2.92Å
644	K	93.9	Very high	94.6	Very high	134 Å²	134	47.5 Å²	47.5	58%	0.583	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.3	176.8	-169.6	-177.3	179.1	-172.1	0	108.9	H534 V642	H534-K644 HydrophobicContact CB-CB 3.86Å; H534-K644 PolarHBondContact N-O 2.86Å; V642-K644 VanDerWaalsContact CG1-O 3.29Å; V642-K644 WeakPolarHBondContact CG1-O 3.25Å
645	G	93.1	Very high	94.8	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.021	21%	0.211	C	C	.	.			trans	86	24.4	-174	0	0	0	0	0	113.4	D532 E647 V648 V649	D532-G645 WeakPolarHBondContact O-CA 3.42Å; G645-E647 PolarHBondContact O-N 3.13Å; G645-V648 WeakPolarHBondContact O-CB 3.47Å; G645-V648 PolarHBondContact O-N 3.06Å; G645-V649 PolarHBondContact O-N 3.49Å; G645-V649 VanDerWaalsContact O-N 3.17Å
646	M	94	Very high	94.8	Very high	71 Å²	71	47.2 Å²	47.2	35%	0.35	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-34.9	175.8	-65.7	165.3	-178.8	0	0	111.1	Y606 V642 V648 V649 Q650	Y606-M646 HydrophobicContact CD1-CB 4.28Å; Y606-M646 HydrophobicContact CD1-CG 4.31Å; Y606-M646 HydrophobicContact CD2-CB 4.3Å; Y606-M646 HydrophobicContact CD2-CE 4.44Å; Y606-M646 HydrophobicContact CD2-CG 3.83Å; Y606-M646 HydrophobicContact CD2-SD 4.08Å; Y606-M646 HydrophobicContact CE1-CB 3.95Å; Y606-M646 HydrophobicContact CE1-CG 4.41Å; Y606-M646 HydrophobicContact CE2-CB 3.97Å; Y606-M646 HydrophobicContact CE2-CG 3.95Å; Y606-M646 HydrophobicContact CE2-SD 4.09Å; Y606-M646 HydrophobicContact CG-CB 4.45Å; Y606-M646 HydrophobicContact CG-CG 4.02Å; V642-M646 HydrophobicContact CG1-CG 4.2Å; V642-M646 WeakPolarHBondContact O-CE 3.37Å; M646-V648 VanDerWaalsContact C-N 3.29Å; M646-V648 PolarHBondContact O-N 3.27Å; M646-V649 PolarHBondContact O-N 2.93Å; M646-Q650 PolarHBondContact O-N 3.37Å
647	E	95.4	Very high	94.8	Very high	114 Å²	114	47.4 Å²	47.4	53%	0.533	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-34	172.2	64.8	-79.1	-171.7	0	0	112.7	G645 K651	G645-E647 PolarHBondContact O-N 3.13Å; E647-K651 WeakPolarHBondContact O-CB 3.47Å; E647-K651 WeakPolarHBondContact O-CG 3.22Å; E647-K651 PolarHBondContact O-N 2.82Å
648	V	96	Very high	94.5	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.073	24%	0.239	C	C	.	.	H	α-helix	trans	-71	-46.4	175.6	-178.8	0	0	0	0	109.6	L530 I533 G645 M646 Q650 K651 I652	L530-V648 HydrophobicContact CB-CG1 4.34Å; I533-V648 HydrophobicContact CD1-CG1 4.31Å; I533-V648 HydrophobicContact CG1-CB 4.12Å; I533-V648 HydrophobicContact CG1-CG1 3.94Å; G645-V648 WeakPolarHBondContact O-CB 3.47Å; G645-V648 PolarHBondContact O-N 3.06Å; M646-V648 VanDerWaalsContact C-N 3.29Å; M646-V648 PolarHBondContact O-N 3.27Å; V648-Q650 VanDerWaalsContact C-N 3.3Å; V648-Q650 PolarHBondContact O-N 3.45Å; V648-K651 WeakPolarHBondContact O-CB 3.22Å; V648-K651 PolarHBondContact O-N 2.88Å; V648-K651 VanDerWaalsContact O-N 3.12Å; V648-I652 HydrophobicContact CG1-CD1 4.09Å; V648-I652 WeakPolarHBondContact O-CG1 3.46Å; V648-I652 PolarHBondContact O-N 3.46Å
649	V	95.8	Very high	94.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-43.6	175	-178.5	0	0	0	0	111.1	I533 I572 Y606 I624 V626 V642 G645 M646 I652 S653	I533-V649 HydrophobicContact CD1-CG2 3.85Å; I533-V649 HydrophobicContact CG1-CG2 4.01Å; I533-V649 HydrophobicContact CG2-CG2 3.86Å; I572-V649 HydrophobicContact CD1-CB 4.41Å; I572-V649 HydrophobicContact CD1-CG1 3.73Å; I572-V649 HydrophobicContact CG1-CG1 4.27Å; Y606-V649 HydrophobicContact CD1-CB 4.16Å; Y606-V649 HydrophobicContact CD1-CG1 4Å; Y606-V649 HydrophobicContact CE1-CB 4.28Å; Y606-V649 HydrophobicContact CE1-CG1 4.29Å; I624-V649 HydrophobicContact CB-CG1 4.46Å; I624-V649 HydrophobicContact CG2-CG1 3.86Å; I624-V649 HydrophobicContact CG2-CG2 4.37Å; V626-V649 HydrophobicContact CG1-CG1 3.67Å; V642-V649 HydrophobicContact CG1-CG2 4.44Å; V642-V649 HydrophobicContact CG2-CG2 4.25Å; G645-V649 PolarHBondContact O-N 3.49Å; G645-V649 VanDerWaalsContact O-N 3.17Å; M646-V649 PolarHBondContact O-N 2.93Å; V649-I652 PolarHBondContact O-N 2.91Å; V649-S653 WeakPolarHBondContact O-CB 3.32Å; V649-S653 PolarHBondContact O-N 3.32Å
650	Q	94.5	Very high	93.8	Very high	64 Å²	64	65.1 Å²	65.1	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-41.7	174.9	-89.1	-67.8	-22.6	0	0	112.7	Y606 M646 V648 S653 N654	Y606-Q650 HydrophobicContact CE1-CG 4.2Å; Y606-Q650 WeakPolarHBondContact OH-CG 3.32Å; M646-Q650 PolarHBondContact O-N 3.37Å; V648-Q650 VanDerWaalsContact C-N 3.3Å; V648-Q650 PolarHBondContact O-N 3.45Å; Q650-S653 PolarHBondContact O-N 2.91Å; Q650-N654 PolarHBondContact O-N 2.92Å; Q650-N654 PolarHBondContact O-ND2 3.34Å; Q650-N654 PolarHBondContact OE1-ND2 3.08Å; Q650-N654 VanDerWaalsContact OE1-ND2 3.17Å
651	K	95	Very high	93.6	Very high	133 Å²	133	69 Å²	69	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-48.1	174.1	-80.1	176.9	-177.2	179.2	0	110.9	E647 V648 S653 N654 I655	E647-K651 WeakPolarHBondContact O-CB 3.47Å; E647-K651 WeakPolarHBondContact O-CG 3.22Å; E647-K651 PolarHBondContact O-N 2.82Å; V648-K651 WeakPolarHBondContact O-CB 3.22Å; V648-K651 PolarHBondContact O-N 2.88Å; V648-K651 VanDerWaalsContact O-N 3.12Å; K651-S653 VanDerWaalsContact C-N 3.33Å; K651-S653 PolarHBondContact O-N 3.12Å; K651-N654 PolarHBondContact O-N 2.65Å; K651-N654 VanDerWaalsContact O-N 3.12Å; K651-I655 WeakPolarHBondContact O-CG1 3.34Å; K651-I655 PolarHBondContact O-N 3.37Å
652	I	95.5	Very high	93.4	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59	-45.1	177.8	-60.8	166.8	0	0	0	110.7	L530 I533 F563 V566 I572 V648 V649 N654 I655 V668	L530-I652 HydrophobicContact CB-CG1 4.43Å; L530-I652 HydrophobicContact CD1-CG1 3.91Å; I533-I652 HydrophobicContact CD1-CD1 3.99Å; F563-I652 HydrophobicContact CD1-CG2 4.45Å; F563-I652 HydrophobicContact CD2-CG2 4.5Å; F563-I652 HydrophobicContact CE2-CD1 4.17Å; F563-I652 HydrophobicContact CG-CG2 4.25Å; F563-I652 HydrophobicContact CZ-CD1 4.21Å; V566-I652 WeakPolarHBondContact CG1-O 3.49Å; V566-I652 HydrophobicContact CG2-CG2 4.34Å; I572-I652 HydrophobicContact CB-CG2 4.31Å; I572-I652 HydrophobicContact CD1-CB 4.1Å; I572-I652 HydrophobicContact CD1-CD1 4.13Å; I572-I652 HydrophobicContact CD1-CG2 3.98Å; I572-I652 HydrophobicContact CG2-CB 4.4Å; I572-I652 HydrophobicContact CG2-CG2 3.89Å; V648-I652 HydrophobicContact CG1-CD1 4.09Å; V648-I652 WeakPolarHBondContact O-CG1 3.46Å; V648-I652 PolarHBondContact O-N 3.46Å; V649-I652 PolarHBondContact O-N 2.91Å; I652-N654 PolarHBondContact O-N 3.36Å; I652-N654 VanDerWaalsContact O-N 3.16Å; I652-I655 HydrophobicContact CG2-CD1 4.46Å; I652-I655 WeakPolarHBondContact O-CG1 3.48Å; I652-I655 PolarHBondContact O-N 3.36Å; I652-V668 HydrophobicContact CD1-CG1 4.25Å; I652-V668 HydrophobicContact CG1-CG1 4.17Å
653	S	94.8	Very high	93.2	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-19.2	179.3	179.2	0	0	0	0	114.6	V649 Q650 K651	V649-S653 WeakPolarHBondContact O-CB 3.32Å; V649-S653 PolarHBondContact O-N 3.32Å; Q650-S653 PolarHBondContact O-N 2.91Å; K651-S653 VanDerWaalsContact C-N 3.33Å; K651-S653 PolarHBondContact O-N 3.12Å
654	N	93.8	Very high	93.2	Very high	80 Å²	80	68.1 Å²	68.1	43%	0.428	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	2.5	-176.3	-74.8	-53.3	0	0	0	113.6	K568 Q650 K651 I652	K568-N654 WeakPolarHBondContact CE-OD1 3.42Å; Q650-N654 PolarHBondContact O-N 2.92Å; Q650-N654 PolarHBondContact O-ND2 3.34Å; Q650-N654 PolarHBondContact OE1-ND2 3.08Å; Q650-N654 VanDerWaalsContact OE1-ND2 3.17Å; K651-N654 PolarHBondContact O-N 2.65Å; K651-N654 VanDerWaalsContact O-N 3.12Å; I652-N654 PolarHBondContact O-N 3.36Å; I652-N654 VanDerWaalsContact O-N 3.16Å
655	I	93	Very high	93	Very high	40 Å²	40	67.4 Å²	67.4	21%	0.205	34%	0.335	C	S	.	.	S	Bend	trans	-65.4	149.7	176.6	-59.1	173.2	0	0	0	109.8	L530 K651 I652 T657 P664 V668	L530-I655 HydrophobicContact CD1-CD1 3.54Å; L530-I655 HydrophobicContact CD1-CG1 4.43Å; K651-I655 WeakPolarHBondContact O-CG1 3.34Å; K651-I655 PolarHBondContact O-N 3.37Å; I652-I655 HydrophobicContact CG2-CD1 4.46Å; I652-I655 WeakPolarHBondContact O-CG1 3.48Å; I652-I655 PolarHBondContact O-N 3.36Å; I655-T657 PolarHBondContact O-N 3.05Å; I655-P664 HydrophobicContact CG2-CB 4.39Å; I655-V668 HydrophobicContact CD1-CG2 3.21Å
656	K	93.8	Very high	92.9	Very high	164 Å²	164	74.7 Å²	74.7	71%	0.713	37%	0.369	S	S	*	.			trans	-66	122.1	173.9	-66.3	-179.2	-177.6	174.4	0	109.8	L665	K656-L665 HydrophobicContact CB-CD1 3.8Å; K656-L665 HydrophobicContact CB-CG 4.46Å; K656-L665 PolarHBondContact O-N 3.21Å
657	T	93.8	Very high	92.7	Very high	38 Å²	38	75.9 Å²	75.9	23%	0.233	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-111.2	156.7	176.7	56.1	0	0	0	0	110.7	V566 I655 P659 K663 P664	V566-T657 HydrophobicContact CB-CG2 3.8Å; V566-T657 HydrophobicContact CG1-CG2 3.97Å; V566-T657 WeakPolarHBondContact O-CG2 3.44Å; I655-T657 PolarHBondContact O-N 3.05Å; T657-P659 WeakPolarHBondContact O-CD 3.29Å; T657-K663 CarbonylContact C-O 3.5Å; T657-K663 VanDerWaalsContact CA-O 3.27Å; T657-K663 WeakPolarHBondContact CA-O 2.9Å; T657-P664 HydrophobicContact CG2-CG 4.37Å
658	N	90.5	Very high	92.6	Very high	60 Å²	60	70.7 Å²	70.7	32%	0.321	35%	0.352	S	S	.	.			trans	-71.6	120.8	171.5	177.5	-13.7	0	0	0	109	K660 N661 D662 K663 L665	N658-K660 PolarHBondContact O-N 3.02Å; N658-K660 PolarHBondContact OD1-N 2.98Å; N658-N661 VanDerWaalsContact CB-OD1 3.28Å; N658-N661 WeakPolarHBondContact CB-OD1 3.35Å; N658-N661 PolarHBondContact O-N 3.27Å; N658-N661 PolarHBondContact O-OD1 3.4Å; N658-D662 WeakPolarHBondContact O-CA 3.48Å; N658-D662 PolarHBondContact O-N 3.26Å; N658-K663 PolarHBondContact N-O 3.08Å; N658-L665 HydrophobicContact CB-CD2 4.35Å
659	P	88.4	Confident	92.5	Very high	122 Å²	122	72.7 Å²	72.7	79%	0.792	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.7	-176.1	-23	32.6	0	0	0	114.9	T657	T657-P659 WeakPolarHBondContact O-CD 3.29Å
660	K	89.1	Confident	92.5	Very high	196 Å²	196	72.7 Å²	72.7	85%	0.852	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-27.2	-178.4	-68.8	-173.3	178.1	-178.8	0	113.7	N658	N658-K660 PolarHBondContact O-N 3.02Å; N658-K660 PolarHBondContact OD1-N 2.98Å
661	N	89.5	Confident	92.4	Very high	82 Å²	82	74.2 Å²	74.2	44%	0.439	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.1	7	-171.1	66.2	-3.5	0	0	0	114.1	N658 K663	N658-N661 VanDerWaalsContact CB-OD1 3.28Å; N658-N661 WeakPolarHBondContact CB-OD1 3.35Å; N658-N661 PolarHBondContact O-N 3.27Å; N658-N661 PolarHBondContact O-OD1 3.4Å; N661-K663 PolarHBondContact O-N 2.85Å; N661-K663 WeakPolarHBondContact OD1-CB 3.46Å; N661-K663 PolarHBondContact OD1-N 2.81Å; N661-K663 VanDerWaalsContact OD1-N 3.17Å
662	D	92.1	Very high	92.2	Very high	47 Å²	47	69.8 Å²	69.8	25%	0.251	36%	0.358	S	S	.	.			trans	56.6	16.9	-178.5	-54.3	-47.6	0	0	0	114.2	R565 V566 I567 N658	R565-D662 HydrophobicContact CG-CB 3.97Å; R565-D662 IonicContact NE-OD2 3.81Å; V566-D662 PolarHBondContact N-O 3.17Å; I567-D662 HydrophobicContact CG1-CB 3.95Å; N658-D662 WeakPolarHBondContact O-CA 3.48Å; N658-D662 PolarHBondContact O-N 3.26Å
663	K	92	Very high	92.2	Very high	64 Å²	64	70.4 Å²	70.4	28%	0.278	36%	0.362	S	S	.	.			trans	-82.1	133.1	179.4	-172.4	169.2	178.1	169	0	110	T657 N658 N661	T657-K663 CarbonylContact C-O 3.5Å; T657-K663 VanDerWaalsContact CA-O 3.27Å; T657-K663 WeakPolarHBondContact CA-O 2.9Å; N658-K663 PolarHBondContact N-O 3.08Å; N661-K663 PolarHBondContact O-N 2.85Å; N661-K663 WeakPolarHBondContact OD1-CB 3.46Å; N661-K663 PolarHBondContact OD1-N 2.81Å; N661-K663 VanDerWaalsContact OD1-N 3.17Å
664	P	92.4	Very high	92	Very high	7 Å²	7	73.4 Å²	73.4	5%	0.045	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-52.9	142	173.3	-28.3	37.1	0	0	0	112.6	F563 V566 I655 T657 E666	F563-P664 WeakPolarHBondContact O-CD 3.43Å; F563-P664 WeakPolarHBondContact O-CG 3.37Å; V566-P664 HydrophobicContact CB-CG 4.12Å; V566-P664 HydrophobicContact CG2-CG 3.65Å; I655-P664 HydrophobicContact CG2-CB 4.39Å; T657-P664 HydrophobicContact CG2-CG 4.37Å; P664-E666 WeakPolarHBondContact CB-O 3.18Å
665	L	90.2	Very high	91.8	Very high	119 Å²	119	71 Å²	71	62%	0.623	37%	0.368	S	S	*	.	S	Bend	trans	-71.6	-34.8	173.6	-67.8	175.3	0	0	0	111.8	K656 N658	K656-L665 HydrophobicContact CB-CD1 3.8Å; K656-L665 HydrophobicContact CB-CG 4.46Å; K656-L665 PolarHBondContact O-N 3.21Å; N658-L665 HydrophobicContact CB-CD2 4.35Å
666	E	90.4	Very high	91.4	Very high	155 Å²	155	74.7 Å²	74.7	72%	0.724	38%	0.383	S	S	*	.	S	Bend	trans	-110	126.5	170.1	-70.9	178.1	-178.6	0	0	107.9	P664 V668	P664-E666 WeakPolarHBondContact CB-O 3.18Å; E666-V668 PolarHBondContact O-N 3.16Å
667	D	91.5	Very high	90.4	Very high	95 Å²	95	71 Å²	71	51%	0.508	37%	0.371	S	S	.	.			trans	-67.3	126.5	-177.1	-75.2	-30.7	0	0	0	110.5	I562	I562-D667 HydrophobicContact CG2-CB 4.04Å
668	V	92.7	Very high	88.8	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.03	38%	0.383	C	S	.	.			trans	-101.2	130.3	164.1	-177.6	0	0	0	0	107.5	L530 I562 F563 I652 I655 E666	L530-V668 HydrophobicContact CD1-CG1 4.28Å; L530-V668 HydrophobicContact CD1-CG2 3.78Å; L530-V668 HydrophobicContact CG-CG1 4.38Å; L530-V668 HydrophobicContact CG-CG2 4.38Å; I562-V668 CarbonylContact C-O 3.55Å; I562-V668 VanDerWaalsContact CA-O 3.22Å; I562-V668 WeakPolarHBondContact CA-O 3.17Å; F563-V668 HydrophobicContact CD2-CB 3.98Å; F563-V668 HydrophobicContact CD2-CG1 3.68Å; F563-V668 WeakPolarHBondContact CD2-O 3.47Å; F563-V668 HydrophobicContact CE2-CG1 4.03Å; F563-V668 PolarHBondContact N-O 3.19Å; I652-V668 HydrophobicContact CD1-CG1 4.25Å; I652-V668 HydrophobicContact CG1-CG1 4.17Å; I655-V668 HydrophobicContact CD1-CG2 3.21Å; E666-V668 PolarHBondContact O-N 3.16Å
669	N	94	Very high	86.6	Confident	54 Å²	54	73.9 Å²	73.9	29%	0.289	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-129	153.1	-174.7	45.5	-24.7	0	0	0	112.1	T528 T529 H561 I562	T528-N669 WeakPolarHBondContact CA-O 3.28Å; T529-N669 WeakPolarHBondContact CG2-OD1 3.3Å; T529-N669 PolarHBondContact N-O 3.33Å; T529-N669 VanDerWaalsContact N-O 3.08Å; T529-N669 PolarHBondContact OG1-N 3.12Å; T529-N669 PolarHBondContact OG1-OD1 3.42Å; H561-N669 CarbonylContact O-C 3.58Å; H561-N669 WeakPolarHBondContact O-CA 3.28Å; I562-N669 HydrophobicContact CG2-CB 4.24Å
670	I	96	Very high	83.9	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.7	168.9	-60.7	167.2	0	0	0	107.2	L526 H527 Y558 G560 H561 F563 T574 F622 V673	L526-I670 HydrophobicContact CD2-CD1 3.61Å; L526-I670 HydrophobicContact CD2-CG1 3.96Å; L526-I670 HydrophobicContact CD2-CG2 4.28Å; H527-I670 CarbonylContact O-C 3.54Å; Y558-I670 WeakPolarHBondContact O-CB 3.48Å; G560-I670 WeakPolarHBondContact CA-O 3.07Å; G560-I670 PolarHBondContact N-O 3.31Å; H561-I670 HydrophobicContact CB-CD1 4.46Å; H561-I670 PolarHBondContact O-N 2.89Å; F563-I670 HydrophobicContact CE2-CG1 4.19Å; F563-I670 HydrophobicContact CZ-CG1 4.43Å; T574-I670 HydrophobicContact CG2-CD1 3.88Å; F622-I670 HydrophobicContact CZ-CD1 4.5Å; I670-V673 HydrophobicContact CG2-CG2 3.78Å
671	I	92.2	Very high	80.9	Confident	97 Å²	97	67.3 Å²	67.3	50%	0.497	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-52.3	175.6	-58.2	172	0	0	0	109	H527 T529	H527-I671 HydrophobicContact CB-CB 4.33Å; H527-I671 WeakPolarHBondContact O-CB 3.49Å; H527-I671 PolarHBondContact O-N 3.35Å; T529-I671 HydrophobicContact CG2-CD1 4.32Å; T529-I671 HydrophobicContact CG2-CG1 4.23Å
672	S	91.5	Very high	78.1	Confident	40 Å²	40	75.1 Å²	75.1	28%	0.28	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163.9	177.3	62.6	0	0	0	0	111.3	H527 N559	H527-S672 WeakPolarHBondContact CB-O 3.27Å; H527-S672 PolarHBondContact CD2-OG 3.39Å; H527-S672 VanDerWaalsContact CD2-OG 3.32Å; H527-S672 PolarHBondContact N-O 2.91Å; H527-S672 PolarHBondContact O-N 2.87Å; N559-S672 WeakPolarHBondContact OD1-CA 3.37Å
673	V	93.6	Very high	77.4	Confident	13 Å²	13	76.6 Å²	76.6	8%	0.079	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.2	173.2	-173.2	0	0	0	0	109.7	A524 I525 L526 F549 S553 Y558 I670	A524-V673 HydrophobicContact CB-CG1 4.24Å; I525-V673 CarbonylContact O-C 3.59Å; I525-V673 WeakPolarHBondContact O-CA 3.34Å; L526-V673 HydrophobicContact CD2-CG2 4.05Å; L526-V673 HydrophobicContact CG-CG1 4.43Å; L526-V673 HydrophobicContact CG-CG2 4.13Å; F549-V673 HydrophobicContact CZ-CG1 4.32Å; S553-V673 WeakPolarHBondContact OG-CG1 3.42Å; Y558-V673 HydrophobicContact CD2-CG2 4.43Å; I670-V673 HydrophobicContact CG2-CG2 3.78Å
674	T	91.8	Very high	76.6	Confident	63 Å²	63	77.2 Å²	77.2	39%	0.387	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.5	175.8	-58.9	0	0	0	0	109.6	A524 I525 H527	A524-T674 CarbonylContact C-O 3.48Å; A524-T674 VanDerWaalsContact CA-O 3.32Å; A524-T674 WeakPolarHBondContact CA-O 3.18Å; I525-T674 PolarHBondContact N-O 3.23Å; I525-T674 PolarHBondContact O-N 3.47Å; H527-T674 PolarHBondContact CD2-OG1 3.02Å; H527-T674 PolarHBondContact NE2-OG1 3.48Å
675	V	90.5	Very high	75.7	Confident	29 Å²	29	81.1 Å²	81.1	18%	0.176	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	179.1	-175.9	0	0	0	0	110.1	A521 V550 R554	A521-V675 HydrophobicContact CB-CG1 3.14Å; V550-V675 HydrophobicContact CG1-CG1 3.97Å; V550-V675 HydrophobicContact CG2-CG1 4.16Å; R554-V675 HydrophobicContact CG-CB 4.48Å; R554-V675 HydrophobicContact CG-CG2 4.25Å
676	K	82.9	Confident	74.9	Confident	119 Å²	119	78.9 Å²	78.9	52%	0.517	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.3	174.6	-77.5	-171.9	178.4	-171.8	0	110.9	A521 G522 S523	A521-K676 WeakPolarHBondContact CB-O 3.4Å; G522-K676 PolarHBondContact N-O 2.78Å; S523-K676 PolarHBondContact O-N 3.17Å; S523-K676 WeakPolarHBondContact OG-CB 3.49Å
677	D	72.5	Confident	73.9	Confident	86 Å²	86	74.1 Å²	74.1	46%	0.46	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	148	179.7	-63.1	-16.4	0	0	0	111.6	R554 G679	R554-D677 IonicContact CZ-OD1 3.67Å; R554-D677 IonicContact NH2-OD1 2.82Å; R554-D677 PolarHBondContact NH2-OD1 3.29Å; R554-D677 IonicContact NH2-OD2 3.99Å; D677-G679 PolarHBondContact O-N 2.95Å
678	L	60.7	Low	72.7	Confident	95 Å²	95	72.7 Å²	72.7	50%	0.497	45%	0.45	S	S	.	.			trans	-65.6	103.4	163.4	-92.4	130.3	0	0	0	106.8	P539 A680	P539-L678 HydrophobicContact CG-CD1 3.84Å; L678-A680 PolarHBondContact O-N 3.49Å
679	G	45.6	Very low	71.3	Confident	64 Å²	64	77.6 Å²	77.6	66%	0.66	48%	0.48	S	S	*	.			trans	-51.3	133.9	173.5	0	0	0	0	0	109.8	D677 G681	D677-G679 PolarHBondContact O-N 2.95Å; G679-G681 PolarHBondContact O-N 3.03Å
680	A	30.9	Very low	69.5	Low	114 Å²	114	79.4 Å²	79.4	94%	0.942	50%	0.495	S	S	*	.	S	Bend	trans	-61.1	96.6	174.2	0	0	0	0	0	109.1	L678	L678-A680 PolarHBondContact O-N 3.49Å
681	G	27	Very low	67.3	Low	66 Å²	66	86 Å²	86	68%	0.68	54%	0.536	S	S	*	.			trans	145.8	84.7	174.4	0	0	0	0	0	114.1	G679	G679-G681 PolarHBondContact O-N 3.03Å
682	I	29	Very low	65.1	Low	246 Å²	246	85 Å²	85	100%	1.262	54%	0.54	S	S	*	.				-142.4	0	123.4	-52.9	-174.9	0	0	0	107.2

Retrieved 682 of 682 residues in 176.7 ms (Link to these results)

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