A0A087YJX9_POEFO Loading...

Hyaluronan and proteoglycan link protein 2

AlphaFold DB , UniProt , Accession A0A087YJX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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	N	38.1	Very low	36.2	Very low	206 Å²	206	145.1 Å²	145.1	100%	1.102	82%	0.824	S	S	*	*				0	89.2	0	-83.4	-8.7	0	0	0	110.9
2	F	32.8	Very low	36.2	Very low	211 Å²	211	150.6 Å²	150.6	93%	0.925	82%	0.824	S	S	*	*				-174.4	136.9	105.1	-110.7	-87.4	0	0	0	108
3	A	33.8	Very low	36.1	Very low	93 Å²	93	154.2 Å²	154.2	77%	0.769	83%	0.827	S	S	*	*			trans	-72.2	149.6	-163.3	0	0	0	0	0	113.5
4	G	32.9	Very low	36.2	Very low	77 Å²	77	154.6 Å²	154.6	79%	0.794	83%	0.827	S	S	*	*			trans	-72.2	158.5	173.4	0	0	0	0	0	113.3
5	I	39	Very low	36	Very low	170 Å²	170	156.3 Å²	156.3	87%	0.872	83%	0.828	S	S	*	*			trans	-130.1	120.1	165.5	-64	-179.9	0	0	0	107.3
6	L	34	Very low	36	Very low	159 Å²	159	153.5 Å²	153.5	83%	0.832	83%	0.825	S	S	*	*			trans	-81.2	138.2	-177.7	-157.5	87.2	0	0	0	110.1
7	V	41.1	Very low	35.9	Very low	118 Å²	118	150.9 Å²	150.9	72%	0.715	82%	0.822	S	S	*	*			trans	-78.4	134.5	178	175.4	0	0	0	0	110.7
8	I	35.9	Very low	36.1	Very low	145 Å²	145	148.1 Å²	148.1	74%	0.744	82%	0.821	S	S	*	*			trans	-142.6	105.7	156	-53.4	179.8	0	0	0	108.9
9	T	40.3	Very low	36.1	Very low	122 Å²	122	146.5 Å²	146.5	75%	0.748	82%	0.822	S	S	*	*			trans	-96.4	125.1	166.6	42.6	0	0	0	0	109.2	N11	T9-N11 PolarHBondContact O-N 3.04Å
10	L	35	Very low	35.9	Very low	144 Å²	144	149.8 Å²	149.8	75%	0.754	82%	0.822	S	S	*	*			trans	-70.5	122.3	179.5	-82.8	97	0	0	0	111.3
11	N	35.4	Very low	36.1	Very low	151 Å²	151	148.4 Å²	148.4	81%	0.807	81%	0.814	S	S	*	*			trans	-88.8	115.5	161.9	-86.8	-29.1	0	0	0	109.3	T9 F13	T9-N11 PolarHBondContact O-N 3.04Å; N11-F13 PolarHBondContact O-N 2.88Å
12	Y	35.7	Very low	36.2	Very low	211 Å²	211	142.8 Å²	142.8	83%	0.827	79%	0.789	S	S	*	*			trans	-72.3	114.7	170.5	-89	-93.5	0	0	0	110
13	F	35	Very low	36.7	Very low	197 Å²	197	140.7 Å²	140.7	86%	0.864	78%	0.781	S	S	*	*			trans	-83.4	113.3	165.4	-88.2	-88.3	0	0	0	109.3	N11	N11-F13 PolarHBondContact O-N 2.88Å
14	I	38.4	Very low	36.8	Very low	160 Å²	160	147.2 Å²	147.2	82%	0.821	79%	0.786	S	S	*	*			trans	-88.4	106.5	166.2	-62.8	174.9	0	0	0	107.3	S16	I14-S16 PolarHBondContact O-N 3.14Å
15	Q	32	Very low	37.4	Very low	181 Å²	181	148 Å²	148	85%	0.846	79%	0.785	S	S	*	*			trans	-81.8	106.8	177.8	-153.4	161.4	-9.9	0	0	108	S17	Q15-S17 PolarHBondContact O-N 2.74Å
16	S	37.2	Very low	37.4	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	78%	0.782	S	S	*	*			trans	-83.1	108.2	172.3	48	0	0	0	0	109.2	I14 A18	I14-S16 PolarHBondContact O-N 3.14Å; S16-A18 PolarHBondContact O-N 2.96Å; S16-A18 VanDerWaalsContact O-N 3.17Å
17	S	33.9	Very low	38	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	78%	0.782	S	S	*	*			trans	-72.5	100	169.2	26	0	0	0	0	109	Q15 S19	Q15-S17 PolarHBondContact O-N 2.74Å; S17-S19 PolarHBondContact O-N 3.05Å
18	A	38.7	Very low	38.6	Very low	99 Å²	99	146.2 Å²	146.2	82%	0.818	78%	0.784	S	S	*	*			trans	-67.8	110.3	169.1	0	0	0	0	0	109.2	S16 Y20	S16-A18 PolarHBondContact O-N 2.96Å; S16-A18 VanDerWaalsContact O-N 3.17Å; A18-Y20 PolarHBondContact O-N 3.49Å
19	S	35.9	Very low	39.4	Very low	118 Å²	118	148.4 Å²	148.4	83%	0.825	79%	0.788	S	S	*	*			trans	-66.5	114	173.2	-53.8	0	0	0	0	110.1	S17 N21	S17-S19 PolarHBondContact O-N 3.05Å; S19-N21 PolarHBondContact O-N 2.82Å
20	Y	32.8	Very low	40.4	Very low	213 Å²	213	148.5 Å²	148.5	84%	0.835	79%	0.791	S	S	*	*			trans	-65.3	112.3	170.8	-174.6	-98.7	0	0	0	109.3	A18 P22	A18-Y20 PolarHBondContact O-N 3.49Å; Y20-P22 HydrophobicContact CE1-CB 4.11Å
21	N	39.7	Very low	41.9	Very low	121 Å²	121	148.7 Å²	148.7	65%	0.647	79%	0.785	S	S	*	*			trans	-106.5	109.3	176	-170.6	-5.8	0	0	0	109.2	S19 H23	S19-N21 PolarHBondContact O-N 2.82Å; N21-H23 PolarHBondContact O-N 3Å; N21-H23 VanDerWaalsContact O-N 3.11Å
22	P	40.8	Very low	44.1	Very low	88 Å²	88	149.7 Å²	149.7	57%	0.571	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	11.1	-168.8	31.5	-33.8	0	0	0	114.8	Y20	Y20-P22 HydrophobicContact CE1-CB 4.11Å
23	H	43.3	Very low	46.4	Very low	167 Å²	167	141 Å²	141	77%	0.773	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	17.7	-175.1	-71.6	-55.1	0	0	0	116.1	N21 A25	N21-H23 PolarHBondContact O-N 3Å; N21-H23 VanDerWaalsContact O-N 3.11Å; H23-A25 PolarHBondContact O-N 2.8Å; H23-A25 VanDerWaalsContact O-N 3.15Å
24	R	36.8	Very low	49	Very low	230 Å²	230	136.1 Å²	136.1	87%	0.868	73%	0.73	S	S	*	*			trans	-85.2	85.1	166.1	-156.5	173.4	-166.5	169.2	2.5	108.9	E26	R24-E26 PolarHBondContact O-N 2.8Å
25	A	44.1	Very low	51.4	Low	93 Å²	93	129.6 Å²	129.6	77%	0.769	70%	0.695	S	S	*	*			trans	-56	113	162.6	0	0	0	0	0	107.2	H23	H23-A25 PolarHBondContact O-N 2.8Å; H23-A25 VanDerWaalsContact O-N 3.15Å
26	E	40	Very low	54.2	Low	174 Å²	174	121 Å²	121	81%	0.813	66%	0.655	S	S	*	*			trans	-53.4	138.2	167.1	-74.5	-170.3	152.1	0	0	108.1	R24 S28	R24-E26 PolarHBondContact O-N 2.8Å; E26-S28 PolarHBondContact O-N 2.84Å
27	P	45.6	Very low	56.6	Low	127 Å²	127	119.5 Å²	119.5	83%	0.825	64%	0.638	S	S	*	*			trans	-55	113.2	168.7	-17.3	28.5	0	0	0	107.6	K29	P27-K29 PolarHBondContact O-N 3Å; P27-K29 VanDerWaalsContact O-N 3.13Å
28	S	53.4	Low	59	Low	108 Å²	108	121 Å²	121	76%	0.755	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-51.4	124.1	177.3	55.1	0	0	0	0	108.3	E26	E26-S28 PolarHBondContact O-N 2.84Å
29	K	53.3	Low	60.8	Low	192 Å²	192	118 Å²	118	84%	0.835	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-47.5	132.7	171.7	-73.7	-179.6	179.7	175.9	0	108.3	P27 K31	P27-K29 PolarHBondContact O-N 3Å; P27-K29 VanDerWaalsContact O-N 3.13Å; K29-K31 PolarHBondContact O-N 2.98Å
30	P	60.4	Low	62.2	Low	124 Å²	124	119 Å²	119	81%	0.805	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.5	120.9	-178.4	20.6	-30.4	0	0	0	108.7	K32	P30-K32 PolarHBondContact O-N 2.84Å; P30-K32 VanDerWaalsContact O-N 3.17Å
31	K	68.1	Low	64.1	Low	148 Å²	148	114.2 Å²	114.2	64%	0.643	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-64	118.1	-179.5	-168	-179.5	179	-170.5	0	107.1	K29 L33	K29-K31 PolarHBondContact O-N 2.98Å; K31-L33 PolarHBondContact O-N 3.46Å
32	K	81.8	Confident	65.3	Low	172 Å²	172	117.5 Å²	117.5	75%	0.748	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60.9	124.5	177.4	-175.6	177.5	-178.2	178.2	0	108.9	P30 Q34	P30-K32 PolarHBondContact O-N 2.84Å; P30-K32 VanDerWaalsContact O-N 3.17Å; K32-Q34 PolarHBondContact O-N 3.4Å
33	L	84.1	Confident	67	Low	29 Å²	29	114.9 Å²	114.9	15%	0.152	60%	0.595	C	S	.	*	P	Polyproline II helix	trans	-68	128.1	178.4	-57.1	177.3	0	0	0	110.5	K31 L36 E38 E138 I140	K31-L33 PolarHBondContact O-N 3.46Å; L33-L36 VanDerWaalsContact CB-O 3.28Å; L33-L36 WeakPolarHBondContact CB-O 3.18Å; L33-L36 HydrophobicContact CD1-CB 4.18Å; L33-E38 HydrophobicContact CD1-CB 3.95Å; L33-E38 HydrophobicContact CD1-CG 4.36Å; L33-E138 HydrophobicContact CD2-CB 4.14Å; L33-E138 HydrophobicContact CD2-CG 4.15Å; L33-I140 HydrophobicContact CD1-CG2 3.54Å
34	Q	87.8	Confident	69.2	Low	93 Å²	93	111.3 Å²	111.3	44%	0.435	58%	0.579	S	S	.	*	S	Bend	trans	-95.2	-43.8	178.1	-179.5	179.5	-7.4	0	0	111.3	K32 E138	K32-Q34 PolarHBondContact O-N 3.4Å; Q34-E138 WeakPolarHBondContact CA-OE1 3.37Å; Q34-E138 WeakPolarHBondContact CB-OE1 3.39Å; Q34-E138 VanDerWaalsContact N-CD 3.3Å; Q34-E138 PolarHBondContact N-OE1 3.23Å; Q34-E138 PolarHBondContact N-OE2 3.01Å
35	Y	88.9	Confident	71.9	Confident	23 Å²	23	101.6 Å²	101.6	9%	0.09	55%	0.545	C	S	.	.	S	Bend	trans	-100.3	-37.8	-173.3	-56.1	-73.7	0	0	0	112.7	L59 R60 I61 P63 L131 N133 E136 E138	Y35-L59 CarbonylContact O-C 3.58Å; Y35-L59 WeakPolarHBondContact O-CA 3.29Å; Y35-R60 WeakPolarHBondContact O-CB 3.47Å; Y35-R60 PolarHBondContact O-N 3.36Å; Y35-I61 HydrophobicContact CD1-CB 4.26Å; Y35-I61 HydrophobicContact CD1-CG2 4.4Å; Y35-I61 PolarHBondContact O-N 2.85Å; Y35-P63 HydrophobicContact CD1-CG 3.64Å; Y35-P63 HydrophobicContact CE1-CG 3.88Å; Y35-P63 HydrophobicContact CG-CG 4.29Å; Y35-L131 HydrophobicContact CD2-CD2 4.07Å; Y35-L131 HydrophobicContact CG-CD2 4.09Å; Y35-N133 PolarHBondContact OH-ND2 2.83Å; Y35-E136 WeakPolarHBondContact CE2-OE2 3.34Å; Y35-E136 PolarHBondContact OH-OE2 2.85Å; Y35-E138 WeakPolarHBondContact CA-OE2 3.41Å; Y35-E138 HydrophobicContact CD2-CG 4.26Å; Y35-E138 PolarHBondContact N-OE1 3.03Å; Y35-E138 PolarHBondContact N-OE2 3.35Å
36	L	90.8	Very high	74.3	Confident	2 Å²	2	99 Å²	99	1%	0.01	52%	0.524	C	S	.	.	B	Isolated β-bridge	trans	-91.8	143.8	178	-69.7	172.6	0	0	0	111.4	L33 E38 L59 L131 E138 I140	L33-L36 VanDerWaalsContact CB-O 3.28Å; L33-L36 WeakPolarHBondContact CB-O 3.18Å; L33-L36 HydrophobicContact CD1-CB 4.18Å; L36-E38 PolarHBondContact O-N 2.89Å; L36-L59 HydrophobicContact CD2-CD2 3.85Å; L36-L131 HydrophobicContact CD1-CB 4.18Å; L36-L131 HydrophobicContact CD2-CB 4.34Å; L36-L131 HydrophobicContact CG-CB 4.18Å; L36-E138 HydrophobicContact CD1-CB 3.99Å; L36-E138 WeakPolarHBondContact CD1-O 3.47Å; L36-E138 HydrophobicContact CG-CB 4.36Å; L36-E138 PolarHBondContact N-OE2 2.94Å; L36-I140 HydrophobicContact CB-CG2 4.3Å; L36-I140 HydrophobicContact CD1-CG2 4.3Å
37	L	89.3	Confident	77	Confident	79 Å²	79	90.9 Å²	90.9	41%	0.414	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-75.2	122.5	166.4	-72.2	179.7	0	0	0	109.2	I58 R60	L37-I58 HydrophobicContact CB-CB 4.46Å; L37-I58 HydrophobicContact CD1-CB 3.98Å; L37-I58 HydrophobicContact CD1-CG2 3.63Å; L37-I58 HydrophobicContact CG-CG2 4.45Å; L37-I58 PolarHBondContact N-O 3.1Å; L37-R60 HydrophobicContact CD2-CB 3.65Å; L37-R60 HydrophobicContact CD2-CG 3.76Å; L37-R60 HydrophobicContact CG-CB 3.95Å
38	E	82.8	Confident	79.3	Confident	142 Å²	142	89.7 Å²	89.7	66%	0.664	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-67.3	127.2	169.2	-166.8	169.7	-169.5	0	0	108.5	L33 L36	L33-E38 HydrophobicContact CD1-CB 3.95Å; L33-E38 HydrophobicContact CD1-CG 4.36Å; L36-E38 PolarHBondContact O-N 2.89Å
39	P	76.3	Confident	81.3	Confident	36 Å²	36	88.8 Å²	88.8	23%	0.234	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.5	175	-17.1	29	0	0	0	110.3	V41 V43 I140	P39-V41 PolarHBondContact O-N 2.81Å; P39-V43 HydrophobicContact CB-CG2 3.17Å; P39-V43 HydrophobicContact CG-CG2 3.66Å; P39-I140 HydrophobicContact CG-CD1 4.38Å
40	P	66.6	Low	83.3	Confident	138 Å²	138	81.7 Å²	81.7	90%	0.896	43%	0.427	S	S	*	.	S	Bend	trans	-64.6	-16	-174.8	23	-32	0	0	0	114.1
41	V	72.1	Confident	85	Confident	112 Å²	112	79 Å²	79	68%	0.679	41%	0.406	S	S	*	.	S	Bend	trans	-145.1	156.5	176.3	-178.4	0	0	0	0	108.2	P39 V43	P39-V41 PolarHBondContact O-N 2.81Å; V41-V43 WeakPolarHBondContact O-CG2 3.28Å; V41-V43 PolarHBondContact O-N 2.99Å
42	Q	64.9	Low	86.3	Confident	190 Å²	190	76.7 Å²	76.7	89%	0.888	40%	0.4	S	S	*	.			trans	-47.8	110.2	167.4	-72.7	-173.7	-2.8	0	0	109.5	E44	Q42-E44 PolarHBondContact O-N 2.85Å
43	V	76.9	Confident	87	Confident	33 Å²	33	69.1 Å²	69.1	20%	0.2	37%	0.368	C	S	.	.			trans	-77.5	101.8	-176.5	-172	0	0	0	0	108	P39 V41 V45 P56 I142 T143	P39-V43 HydrophobicContact CB-CG2 3.17Å; P39-V43 HydrophobicContact CG-CG2 3.66Å; V41-V43 WeakPolarHBondContact O-CG2 3.28Å; V41-V43 PolarHBondContact O-N 2.99Å; V43-V45 HydrophobicContact CG1-CG2 3.68Å; V43-P56 HydrophobicContact CG1-CG 3.7Å; V43-P56 HydrophobicContact CG2-CG 4.38Å; V43-I142 HydrophobicContact CB-CG1 4.48Å; V43-I142 HydrophobicContact CB-CG2 4.14Å; V43-I142 HydrophobicContact CG1-CG2 3.94Å; V43-T143 PolarHBondContact O-N 2.96Å
44	E	89.3	Confident	87.6	Confident	93 Å²	93	70 Å²	70	44%	0.435	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.1	160.6	-166.7	177.9	78.6	0	0	108	Q42 T143 R145 R186	Q42-E44 PolarHBondContact O-N 2.85Å; E44-T143 CarbonylContact C-O 3.44Å; E44-T143 WeakPolarHBondContact CA-O 3.22Å; E44-T143 HydrophobicContact CG-CG2 4.44Å; E44-R145 HydrophobicContact CG-CB 3.96Å; E44-R145 IonicContact OE1-CZ 3.52Å; E44-R145 IonicContact OE1-NE 3.63Å; E44-R145 IonicContact OE1-NH1 2.8Å; E44-R145 PolarHBondContact OE1-NH1 3Å; E44-R186 IonicContact OE1-NH2 3.12Å; E44-R186 IonicContact OE2-NH2 3.08Å
45	V	94.1	Very high	88	Confident	25 Å²	25	65.6 Å²	65.6	15%	0.152	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.1	170.2	-176.2	0	0	0	0	107.2	V43 V53 L55 I142 T143 L144 R145	V43-V45 HydrophobicContact CG1-CG2 3.68Å; V45-V53 HydrophobicContact CG1-CB 4.1Å; V45-V53 HydrophobicContact CG1-CG1 4.39Å; V45-L55 HydrophobicContact CB-CD2 3.95Å; V45-L55 HydrophobicContact CG1-CD2 4.27Å; V45-L55 HydrophobicContact CG2-CD2 3.97Å; V45-I142 HydrophobicContact CG2-CG2 3.88Å; V45-T143 PolarHBondContact N-O 2.86Å; V45-L144 HydrophobicContact CB-CD1 4.49Å; V45-L144 HydrophobicContact CG1-CD1 4.5Å; V45-L144 WeakPolarHBondContact O-CA 3.48Å; V45-L144 WeakPolarHBondContact O-CD1 3.39Å; V45-R145 PolarHBondContact O-N 3.18Å
46	A	94.5	Very high	88.2	Confident	40 Å²	40	66.6 Å²	66.6	33%	0.331	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.8	175.9	0	0	0	0	0	110.5	R145 E147	A46-R145 WeakPolarHBondContact CA-O 3.5Å; A46-R145 VanDerWaalsContact CB-NH2 3.31Å; A46-E147 HydrophobicContact CB-CG 4.2Å
47	G	95.2	Very high	88.4	Confident	3 Å²	3	66.5 Å²	66.5	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	164.1	171.5	0	0	0	0	0	110.9	R145 I146 E147	G47-R145 PolarHBondContact N-O 3.41Å; G47-I146 CarbonylContact O-C 3.48Å; G47-I146 WeakPolarHBondContact O-CA 3.42Å; G47-E147 PolarHBondContact O-N 3.32Å
48	R	94.4	Very high	88.6	Confident	101 Å²	101	64.9 Å²	64.9	38%	0.381	36%	0.355	S	S	.	.			trans	-102	161.3	174.8	-60.4	177.6	-168.2	154.6	9.6	110	G50 D51 E147	R48-G50 PolarHBondContact O-N 3.05Å; R48-D51 WeakPolarHBondContact CB-OD2 3.29Å; R48-D51 PolarHBondContact N-OD2 3.18Å; R48-D51 VanDerWaalsContact O-CB 3.27Å; R48-D51 WeakPolarHBondContact O-CB 3.21Å; R48-D51 PolarHBondContact O-N 3.22Å; R48-E147 HydrophobicContact CG-CB 4.04Å; R48-E147 IonicContact CZ-OE2 2.92Å; R48-E147 IonicContact NE-OE2 2.85Å; R48-E147 PolarHBondContact NE-OE2 3.27Å; R48-E147 IonicContact NH2-OE2 2.76Å
49	R	95.3	Very high	89	Confident	90 Å²	90	58.4 Å²	58.4	34%	0.34	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	129	172.8	-175.2	-177.8	-168.9	-179.1	1.6	109.9	L119 L121 D175 S244	R49-L119 CarbonylContact C-O 3.42Å; R49-L119 WeakPolarHBondContact CA-O 3.22Å; R49-L119 WeakPolarHBondContact CG-O 3.35Å; R49-L121 HydrophobicContact CB-CD2 4.41Å; R49-D175 IonicContact CZ-OD1 3.58Å; R49-D175 IonicContact NH1-OD1 3.75Å; R49-D175 PolarHBondContact NH1-OD1 3.45Å; R49-D175 IonicContact NH1-OD2 2.86Å; R49-D175 PolarHBondContact NH1-OD2 3.31Å; R49-D175 IonicContact NH2-OD1 3.77Å; R49-S244 PolarHBondContact N-OG 2.9Å; R49-S244 VanDerWaalsContact N-OG 3.13Å
50	G	95	Very high	89.7	Confident	42 Å²	42	63.6 Å²	63.6	43%	0.433	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-12.5	-176	0	0	0	0	0	115.4	R48 L119	R48-G50 PolarHBondContact O-N 3.05Å; G50-L119 PolarHBondContact N-O 3.47Å
51	D	96	Very high	90.8	Very high	68 Å²	68	60.9 Å²	60.9	36%	0.364	32%	0.316	S	S	.	.			trans	-68.7	163.5	177.6	-71.5	-11	0	0	0	111.9	R48 H118 L119	R48-D51 WeakPolarHBondContact CB-OD2 3.29Å; R48-D51 PolarHBondContact N-OD2 3.18Å; R48-D51 VanDerWaalsContact O-CB 3.27Å; R48-D51 WeakPolarHBondContact O-CB 3.21Å; R48-D51 PolarHBondContact O-N 3.22Å; D51-H118 PolarHBondContact O-N 3.26Å; D51-H118 VanDerWaalsContact O-N 3.14Å; D51-L119 HydrophobicContact CB-CD1 4.36Å; D51-L119 WeakPolarHBondContact O-CG 3.36Å; D51-L119 PolarHBondContact O-N 3.47Å
52	N	96.9	Very high	91.6	Very high	100 Å²	100	60.1 Å²	60.1	54%	0.535	30%	0.304	S	S	.	.			trans	-106.8	128.8	164.9	-62.5	-19	0	0	0	108.5	L116 S117 H118	N52-L116 WeakPolarHBondContact CA-O 3.31Å; N52-S117 WeakPolarHBondContact OD1-CA 3.26Å; N52-S117 VanDerWaalsContact OD1-CB 3.27Å; N52-S117 WeakPolarHBondContact OD1-CB 3.41Å; N52-H118 PolarHBondContact OD1-N 3.07Å
53	V	96.4	Very high	92.7	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.9	-178.7	-65.2	0	0	0	0	111.4	V45 L116 L119 L144	V45-V53 HydrophobicContact CG1-CB 4.1Å; V45-V53 HydrophobicContact CG1-CG1 4.39Å; V53-L116 HydrophobicContact CG2-CB 4.25Å; V53-L116 PolarHBondContact N-O 3.39Å; V53-L116 PolarHBondContact O-N 2.87Å; V53-L119 HydrophobicContact CB-CD1 4.32Å; V53-L119 HydrophobicContact CG1-CD1 3.61Å; V53-L119 HydrophobicContact CG1-CG 4.49Å; V53-L119 HydrophobicContact CG2-CD1 3.77Å; V53-L119 HydrophobicContact CG2-CD2 3.77Å; V53-L119 HydrophobicContact CG2-CG 4.05Å; V53-L144 HydrophobicContact CG2-CD1 3.91Å; V53-L144 HydrophobicContact CG2-CD2 4.36Å
54	T	96.3	Very high	93.2	Very high	49 Å²	49	57.6 Å²	57.6	30%	0.301	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.7	173.7	-61.5	0	0	0	0	109.1	L105 L114	T54-L105 HydrophobicContact CG2-CD2 3.75Å; T54-L114 CarbonylContact C-O 3.55Å; T54-L114 WeakPolarHBondContact CA-O 3.14Å
55	L	95.6	Very high	93.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.7	169.3	-51.3	-175.3	0	0	0	108.1	V45 C57 W70 S113 L114 Y127 I142 L144	V45-L55 HydrophobicContact CB-CD2 3.95Å; V45-L55 HydrophobicContact CG1-CD2 4.27Å; V45-L55 HydrophobicContact CG2-CD2 3.97Å; L55-C57 PolarHBondContact O-N 3.46Å; L55-W70 HydrophobicContact CB-CH2 3.62Å; L55-W70 HydrophobicContact CB-CZ2 4.41Å; L55-W70 HydrophobicContact CB-CZ3 4.02Å; L55-W70 HydrophobicContact CD1-CZ3 4.2Å; L55-S113 VanDerWaalsContact O-CA 3.3Å; L55-S113 WeakPolarHBondContact O-CA 3.19Å; L55-S113 VanDerWaalsContact O-CB 3.29Å; L55-S113 WeakPolarHBondContact O-CB 3.33Å; L55-L114 HydrophobicContact CB-CB 4.24Å; L55-L114 HydrophobicContact CD1-CD2 4.13Å; L55-L114 PolarHBondContact N-O 2.8Å; L55-L114 PolarHBondContact O-N 3.25Å; L55-Y127 HydrophobicContact CD1-CD1 3.59Å; L55-Y127 HydrophobicContact CD1-CD2 3.94Å; L55-Y127 HydrophobicContact CD1-CE1 4.2Å; L55-Y127 HydrophobicContact CD1-CG 3.45Å; L55-Y127 VanDerWaalsContact CD1-CG 3.45Å; L55-I142 HydrophobicContact CB-CG2 4.28Å; L55-I142 HydrophobicContact CD2-CG2 4.03Å; L55-L144 HydrophobicContact CD2-CB 4.14Å; L55-L144 HydrophobicContact CD2-CD1 4.28Å
56	P	94.5	Very high	92.9	Very high	44 Å²	44	61 Å²	61	29%	0.286	31%	0.309	S	S	.	.			trans	-69.7	133.2	-169.8	27.1	-34.5	0	0	0	111.3	V43 S113 I142	V43-P56 HydrophobicContact CG1-CG 3.7Å; V43-P56 HydrophobicContact CG2-CG 4.38Å; P56-S113 WeakPolarHBondContact CA-OG 3.34Å; P56-I142 HydrophobicContact CG-CG1 4.48Å; P56-I142 WeakPolarHBondContact O-CD1 3.35Å
57	C	93.5	Very high	92.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.318	C	S	.	.			trans	-148.1	103.8	167.1	-175	0	0	0	0	109.3	L55 W70 A112 S113 C129 I140	L55-C57 PolarHBondContact O-N 3.46Å; C57-W70 HydrophobicContact CB-CH2 4.1Å; C57-W70 HydrophobicContact CB-CZ2 3.42Å; C57-W70 VanDerWaalsContact CB-CZ2 3.42Å; C57-A112 HydrophobicContact CB-CB 4.48Å; C57-A112 CarbonylContact O-C 3.46Å; C57-A112 VanDerWaalsContact O-C 3.26Å; C57-A112 VanDerWaalsContact O-CA 3.29Å; C57-A112 WeakPolarHBondContact O-CA 3.2Å; C57-A112 WeakPolarHBondContact O-CB 3.42Å; C57-A112 PolarHBondContact O-N 3.49Å; C57-S113 PolarHBondContact N-OG 2.97Å; C57-S113 PolarHBondContact O-N 3.37Å; C57-C129 HydrophobicContact CB-CB 3.65Å; C57-C129 WeakPolarHBondContact CB-SG 3.28Å; C57-C129 WeakPolarHBondContact SG-CB 3.41Å; C57-C129 CovalentContact SG-SG 2.04Å; C57-C129 PolarHBondContact SG-SG 3.09Å; C57-I140 HydrophobicContact CB-CD1 4.17Å
58	I	93.3	Very high	92.8	Very high	45 Å²	45	64.8 Å²	64.8	23%	0.231	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-114.7	131.4	-173.7	-52.4	-60.3	0	0	0	109.6	L37 D111	L37-I58 HydrophobicContact CB-CB 4.46Å; L37-I58 HydrophobicContact CD1-CB 3.98Å; L37-I58 HydrophobicContact CD1-CG2 3.63Å; L37-I58 HydrophobicContact CG-CG2 4.45Å; L37-I58 PolarHBondContact N-O 3.1Å; I58-D111 HydrophobicContact CD1-CB 4.08Å; I58-D111 WeakPolarHBondContact CD1-OD1 3.45Å
59	L	92.1	Very high	92.8	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-77.9	132.1	173.9	-57.2	170.6	0	0	0	109.6	Y35 L36 Y66 I68 M110 L131	Y35-L59 CarbonylContact O-C 3.58Å; Y35-L59 WeakPolarHBondContact O-CA 3.29Å; L36-L59 HydrophobicContact CD2-CD2 3.85Å; L59-Y66 HydrophobicContact CD1-CE2 3.8Å; L59-I68 HydrophobicContact CD2-CD1 4.14Å; L59-M110 HydrophobicContact CB-CB 4.14Å; L59-M110 HydrophobicContact CB-CE 3.65Å; L59-M110 WeakPolarHBondContact CB-O 3.48Å; L59-M110 HydrophobicContact CB-SD 4.41Å; L59-M110 PolarHBondContact N-O 2.98Å; L59-M110 WeakPolarHBondContact O-CE 3.05Å; L59-L131 HydrophobicContact CD2-CD1 3.28Å
60	R	91.6	Very high	92.8	Very high	144 Å²	144	58.1 Å²	58.1	54%	0.543	29%	0.294	S	S	.	.	S	Bend	trans	-81.3	-45.3	166.5	-171.6	-176.8	-179.3	161.8	4.5	111.2	Y35 L37 M110	Y35-R60 WeakPolarHBondContact O-CB 3.47Å; Y35-R60 PolarHBondContact O-N 3.36Å; L37-R60 HydrophobicContact CD2-CB 3.65Å; L37-R60 HydrophobicContact CD2-CG 3.76Å; L37-R60 HydrophobicContact CG-CB 3.95Å; R60-M110 VanDerWaalsContact C-CE 3.49Å; R60-M110 WeakPolarHBondContact O-CE 3.07Å
61	I	89.8	Confident	92.7	Very high	81 Å²	81	56.7 Å²	56.7	42%	0.415	28%	0.277	S	S	.	.	S	Bend	trans	-131.3	130.3	-179.2	-58.3	178.5	0	0	0	106.9	Y35 P63	Y35-I61 HydrophobicContact CD1-CB 4.26Å; Y35-I61 HydrophobicContact CD1-CG2 4.4Å; Y35-I61 PolarHBondContact O-N 2.85Å; I61-P63 WeakPolarHBondContact O-CD 3.2Å
62	K	88.1	Confident	92.5	Very high	96 Å²	96	55.4 Å²	55.4	42%	0.417	27%	0.268	S	S	.	.			trans	-93.3	110.6	179.4	-174.9	172.7	-178.8	169.1	0	109.9	Y66 M110	K62-Y66 HydrophobicContact CD-CE1 4.38Å; K62-Y66 WeakPolarHBondContact CE-OH 3.42Å; K62-Y66 HydrophobicContact CG-CE1 3.72Å; K62-M110 HydrophobicContact CB-CE 3.99Å; K62-M110 HydrophobicContact CB-SD 3.76Å; K62-M110 HydrophobicContact CD-SD 4.34Å
63	P	88.4	Confident	92.1	Very high	14 Å²	14	53 Å²	53	9%	0.091	26%	0.255	C	S	.	.			trans	-67.7	158.7	175.3	-14.4	29.1	0	0	0	111.6	Y35 I61 H65 Y66 L131 N133	Y35-P63 HydrophobicContact CD1-CG 3.64Å; Y35-P63 HydrophobicContact CE1-CG 3.88Å; Y35-P63 HydrophobicContact CG-CG 4.29Å; I61-P63 WeakPolarHBondContact O-CD 3.2Å; P63-H65 VanDerWaalsContact C-N 3.35Å; P63-H65 PolarHBondContact O-N 3.41Å; P63-Y66 HydrophobicContact CB-CD1 4.42Å; P63-Y66 HydrophobicContact CG-CD1 4.46Å; P63-Y66 HydrophobicContact CG-CG 4.35Å; P63-Y66 VanDerWaalsContact O-CD1 3.28Å; P63-Y66 WeakPolarHBondContact O-CD1 3.15Å; P63-L131 HydrophobicContact CG-CD1 4.31Å; P63-L131 HydrophobicContact CG-CD2 4.3Å; P63-N133 HydrophobicContact CB-CB 4.46Å; P63-N133 HydrophobicContact CG-CB 4.33Å
64	N	86.6	Confident	91	Very high	156 Å²	156	54.6 Å²	54.6	83%	0.834	26%	0.263	S	S	*	.	S	Bend	trans	-64.4	-39.9	176.4	-70.2	-16.1	0	0	0	112.1
65	H	87.5	Confident	89.3	Confident	159 Å²	159	57.9 Å²	57.9	74%	0.736	29%	0.285	S	S	*	.	S	Bend	trans	-131	106.2	178.9	-60.6	-58.6	0	0	0	109.5	P63 N133	P63-H65 VanDerWaalsContact C-N 3.35Å; P63-H65 PolarHBondContact O-N 3.41Å; H65-N133 PolarHBondContact O-OD1 2.89Å
66	Y	90.9	Very high	87.4	Confident	30 Å²	30	61.4 Å²	61.4	12%	0.118	30%	0.301	C	S	.	.			trans	-140.8	158.6	177.6	70.9	-76.2	0	0	0	111.5	L59 K62 P63 I68 A89 L131 I132	L59-Y66 HydrophobicContact CD1-CE2 3.8Å; K62-Y66 HydrophobicContact CD-CE1 4.38Å; K62-Y66 WeakPolarHBondContact CE-OH 3.42Å; K62-Y66 HydrophobicContact CG-CE1 3.72Å; P63-Y66 HydrophobicContact CB-CD1 4.42Å; P63-Y66 HydrophobicContact CG-CD1 4.46Å; P63-Y66 HydrophobicContact CG-CG 4.35Å; P63-Y66 VanDerWaalsContact O-CD1 3.28Å; P63-Y66 WeakPolarHBondContact O-CD1 3.15Å; Y66-I68 HydrophobicContact CD2-CD1 3.8Å; Y66-I68 HydrophobicContact CD2-CG1 3.96Å; Y66-I68 HydrophobicContact CE2-CD1 3.92Å; Y66-I68 HydrophobicContact CE2-CG1 3.79Å; Y66-A89 HydrophobicContact CE1-CB 4.35Å; Y66-L131 HydrophobicContact CD2-CD1 4.12Å; Y66-I132 VanDerWaalsContact CA-O 3.31Å; Y66-I132 WeakPolarHBondContact CA-O 3.43Å
67	K	92.8	Very high	85.5	Confident	117 Å²	117	64.2 Å²	64.2	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.6	166.9	-63	175	-174.3	171.3	0	108.8	S87 L131 I132	K67-S87 CarbonylContact C-O 3.59Å; K67-S87 VanDerWaalsContact CA-O 3.29Å; K67-S87 WeakPolarHBondContact CA-O 3.13Å; K67-L131 WeakPolarHBondContact O-CA 3.09Å; K67-I132 HydrophobicContact CB-CB 4.38Å; K67-I132 PolarHBondContact N-O 2.81Å; K67-I132 PolarHBondContact O-N 2.86Å
68	I	93.8	Very high	83.3	Confident	7 Å²	7	72.4 Å²	72.4	4%	0.036	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	168.8	-57.1	-60.9	0	0	0	107.4	L59 Y66 I86 S87 A112 E130 L131	L59-I68 HydrophobicContact CD2-CD1 4.14Å; Y66-I68 HydrophobicContact CD2-CD1 3.8Å; Y66-I68 HydrophobicContact CD2-CG1 3.96Å; Y66-I68 HydrophobicContact CE2-CD1 3.92Å; Y66-I68 HydrophobicContact CE2-CG1 3.79Å; I68-I86 CarbonylContact O-C 3.52Å; I68-I86 WeakPolarHBondContact O-CA 3.4Å; I68-S87 PolarHBondContact N-O 3.47Å; I68-S87 PolarHBondContact O-N 3.19Å; I68-A112 HydrophobicContact CD1-CB 4.25Å; I68-A112 HydrophobicContact CG1-CB 3.95Å; I68-A112 HydrophobicContact CG2-CB 4.24Å; I68-E130 CarbonylContact C-O 3.54Å; I68-E130 WeakPolarHBondContact CA-O 3.31Å; I68-L131 HydrophobicContact CD1-CB 3.95Å; I68-L131 HydrophobicContact CD1-CD1 4Å; I68-L131 HydrophobicContact CD1-CG 4.14Å
69	K	94.1	Very high	81.1	Confident	48 Å²	48	74 Å²	74	21%	0.209	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.4	176.5	172.6	169.5	155.5	-122.3	0	108.7	T71 M85 I86 E130 I132	K69-T71 HydrophobicContact CD-CG2 4.41Å; K69-T71 HydrophobicContact CG-CG2 4Å; K69-M85 WeakPolarHBondContact CA-O 3.46Å; K69-I86 HydrophobicContact CB-CG1 4.33Å; K69-I86 HydrophobicContact CD-CD1 4.44Å; K69-I86 HydrophobicContact CD-CG1 4.4Å; K69-I86 HydrophobicContact CG-CG1 4.15Å; K69-E130 HydrophobicContact CB-CB 4.32Å; K69-E130 WeakPolarHBondContact CD-OE2 3.33Å; K69-E130 PolarHBondContact N-O 3.08Å; K69-E130 IonicContact NZ-OE2 3.94Å; K69-E130 PolarHBondContact NZ-OE2 3.27Å; K69-E130 PolarHBondContact O-N 3.25Å; K69-I132 HydrophobicContact CB-CD1 4.13Å; K69-I132 HydrophobicContact CD-CD1 4.23Å
70	W	94.9	Very high	79.1	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.008	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.8	172.5	-83.6	99.4	0	0	0	109.6	L55 C57 I84 M85 A112 L114 Q128 C129 I142	L55-W70 HydrophobicContact CB-CH2 3.62Å; L55-W70 HydrophobicContact CB-CZ2 4.41Å; L55-W70 HydrophobicContact CB-CZ3 4.02Å; L55-W70 HydrophobicContact CD1-CZ3 4.2Å; C57-W70 HydrophobicContact CB-CH2 4.1Å; C57-W70 HydrophobicContact CB-CZ2 3.42Å; C57-W70 VanDerWaalsContact CB-CZ2 3.42Å; W70-I84 HydrophobicContact CB-CB 4.29Å; W70-I84 PolarHBondContact O-N 2.99Å; W70-M85 HydrophobicContact CB-CB 4.43Å; W70-M85 PolarHBondContact N-O 2.88Å; W70-M85 PolarHBondContact O-N 2.99Å; W70-A112 PolarHBondContact NE1-O 2.91Å; W70-L114 HydrophobicContact CB-CD1 4.22Å; W70-L114 HydrophobicContact CB-CD2 4.46Å; W70-L114 HydrophobicContact CD2-CB 3.85Å; W70-L114 HydrophobicContact CD2-CD1 4.37Å; W70-L114 HydrophobicContact CD2-CD2 4.12Å; W70-L114 HydrophobicContact CD2-CG 4.36Å; W70-L114 HydrophobicContact CE3-CB 4.31Å; W70-L114 HydrophobicContact CE3-CD2 4.15Å; W70-L114 HydrophobicContact CG-CB 4.26Å; W70-L114 HydrophobicContact CG-CD1 3.91Å; W70-L114 HydrophobicContact CG-CD2 4.28Å; W70-L114 HydrophobicContact CG-CG 4.4Å; W70-L114 HydrophobicContact CH2-CB 4.17Å; W70-L114 HydrophobicContact CZ2-CB 3.71Å; W70-L114 HydrophobicContact CZ3-CB 4.47Å; W70-Q128 WeakPolarHBondContact CA-O 3.49Å; W70-C129 HydrophobicContact CD2-CB 4.03Å; W70-C129 HydrophobicContact CE3-CB 4.1Å; W70-C129 HydrophobicContact CH2-CB 3.72Å; W70-C129 HydrophobicContact CZ2-CB 3.62Å; W70-C129 HydrophobicContact CZ3-CB 3.95Å; W70-I142 HydrophobicContact CH2-CD1 3.67Å; W70-I142 HydrophobicContact CH2-CG1 4.48Å; W70-I142 HydrophobicContact CZ3-CD1 3.92Å
71	T	93.6	Very high	77.3	Confident	13 Å²	13	82 Å²	82	8%	0.08	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.4	175.3	58.1	0	0	0	0	111.1	K69 N82 I83 Y127 Q128	K69-T71 HydrophobicContact CD-CG2 4.41Å; K69-T71 HydrophobicContact CG-CG2 4Å; T71-N82 CarbonylContact C-O 3.55Å; T71-N82 WeakPolarHBondContact CA-O 3.18Å; T71-I83 HydrophobicContact CG2-CG1 4.04Å; T71-Y127 CarbonylContact O-C 3.55Å; T71-Y127 VanDerWaalsContact O-CA 3.31Å; T71-Y127 WeakPolarHBondContact O-CA 3.43Å; T71-Q128 PolarHBondContact N-O 3.41Å; T71-Q128 PolarHBondContact O-N 2.96Å; T71-Q128 WeakPolarHBondContact OG1-CB 3.34Å
72	K	92.5	Very high	76.9	Confident	40 Å²	40	80.2 Å²	80.2	17%	0.174	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.7	164.5	-162	-178.3	-173.2	-155.5	0	108.3	D74 N82 I84 G122 D124 Y127	K72-D74 PolarHBondContact O-N 3Å; K72-N82 PolarHBondContact N-O 3.21Å; K72-N82 WeakPolarHBondContact O-CB 3.38Å; K72-N82 VanDerWaalsContact O-CG 3.23Å; K72-N82 PolarHBondContact O-ND2 2.87Å; K72-I84 HydrophobicContact CB-CD1 4.12Å; K72-I84 HydrophobicContact CB-CG1 4.48Å; K72-G122 PolarHBondContact NZ-O 2.74Å; K72-D124 VanDerWaalsContact CE-O 3.26Å; K72-D124 WeakPolarHBondContact CE-O 3.29Å; K72-D124 PolarHBondContact NZ-O 3.1Å; K72-Y127 HydrophobicContact CB-CD1 4.48Å; K72-Y127 HydrophobicContact CB-CE1 4.25Å; K72-Y127 HydrophobicContact CD-CE1 4.41Å; K72-Y127 HydrophobicContact CD-CE2 4.41Å; K72-Y127 WeakPolarHBondContact CE-OH 3.49Å; K72-Y127 HydrophobicContact CG-CD1 4.42Å; K72-Y127 HydrophobicContact CG-CE1 4.03Å; K72-Y127 HydrophobicContact CG-CE2 4.1Å
73	L	88.5	Confident	77.1	Confident	50 Å²	50	78.5 Å²	78.5	26%	0.262	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	99.1	176.1	-56.4	-177.7	0	0	0	108.3	R126 Q128 V141	L73-R126 HydrophobicContact CB-CB 4.05Å; L73-R126 HydrophobicContact CD1-CB 4.24Å; L73-R126 HydrophobicContact CG-CB 4.5Å; L73-R126 PolarHBondContact N-O 3.26Å; L73-Q128 HydrophobicContact CD1-CB 4.15Å; L73-Q128 HydrophobicContact CD2-CB 3.97Å; L73-Q128 HydrophobicContact CG-CB 4.08Å; L73-V141 HydrophobicContact CD1-CG1 3.91Å; L73-V141 HydrophobicContact CD1-CG2 4Å
74	D	72.8	Confident	77.3	Confident	46 Å²	46	78 Å²	78	25%	0.246	41%	0.407	C	S	.	.			trans	-96.3	119.4	169.6	-171.6	-8.6	0	0	0	109.6	K72 E76 H77	K72-D74 PolarHBondContact O-N 3Å; D74-E76 PolarHBondContact O-N 2.92Å; D74-E76 PolarHBondContact OD1-N 2.97Å; D74-H77 IonicContact OD2-CE1 3.52Å; D74-H77 IonicContact OD2-CG 3.45Å; D74-H77 IonicContact OD2-ND1 2.82Å; D74-H77 PolarHBondContact OD2-ND1 3.41Å
75	P	60.9	Low	77.7	Confident	117 Å²	117	70.6 Å²	70.6	76%	0.76	37%	0.367	S	S	*	.	S	Bend	trans	-65.8	-22.2	174.3	25.6	-32.3	0	0	0	113.8
76	E	56.1	Low	78	Confident	74 Å²	74	65.3 Å²	65.3	35%	0.346	34%	0.344	S	S	.	.	S	Bend	trans	-88	-26.4	-177.2	-64.9	-147.6	129.1	0	0	114	D74 D202	D74-E76 PolarHBondContact O-N 2.92Å; D74-E76 PolarHBondContact OD1-N 2.97Å; E76-D202 VanDerWaalsContact OE1-C 3.3Å; E76-D202 WeakPolarHBondContact OE1-CA 3.45Å; E76-D202 VanDerWaalsContact OE1-O 3.12Å
77	H	54.5	Low	78	Confident	104 Å²	104	64.1 Å²	64.1	48%	0.481	34%	0.34	S	S	.	.			trans	-120.4	64.6	-174.5	-60.3	94.6	0	0	0	112.1	D74 G79 N82	D74-H77 IonicContact OD2-CE1 3.52Å; D74-H77 IonicContact OD2-CG 3.45Å; D74-H77 IonicContact OD2-ND1 2.82Å; D74-H77 PolarHBondContact OD2-ND1 3.41Å; H77-G79 PolarHBondContact O-N 3.14Å; H77-N82 PolarHBondContact O-ND2 2.82Å
78	L	46.6	Very low	77.6	Confident	171 Å²	171	62.2 Å²	62.2	90%	0.895	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	99	168.6	-84	155.2	0	0	0	110.1
79	G	47.7	Very low	76.5	Confident	78 Å²	78	64.1 Å²	64.1	80%	0.804	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	113	-0.5	160.8	0	0	0	0	0	118.3	H77	H77-G79 PolarHBondContact O-N 3.14Å
80	Q	49	Very low	75.4	Confident	158 Å²	158	68.7 Å²	68.7	74%	0.738	38%	0.379	S	S	*	.	S	Bend	trans	-120.3	119.5	172.1	-87.7	-179	-10.6	0	0	112.4	N82	Q80-N82 PolarHBondContact O-N 2.9Å; Q80-N82 VanDerWaalsContact O-N 3.17Å
81	Q	55.3	Low	74.9	Confident	161 Å²	161	71.1 Å²	71.1	75%	0.752	40%	0.399	S	S	*	.	S	Bend	trans	60.4	22.6	162	-54.1	-168.7	10.2	0	0	119.3	I83	Q81-I83 VanDerWaalsContact C-N 3.28Å; Q81-I83 PolarHBondContact O-N 3.14Å
82	N	81.4	Confident	74.7	Confident	44 Å²	44	74.9 Å²	74.9	24%	0.235	42%	0.415	C	S	.	.			trans	-79.9	-3.6	174.8	-81.1	-11.6	0	0	0	115.2	T71 K72 H77 Q80 I84	T71-N82 CarbonylContact C-O 3.55Å; T71-N82 WeakPolarHBondContact CA-O 3.18Å; K72-N82 PolarHBondContact N-O 3.21Å; K72-N82 WeakPolarHBondContact O-CB 3.38Å; K72-N82 VanDerWaalsContact O-CG 3.23Å; K72-N82 PolarHBondContact O-ND2 2.87Å; H77-N82 PolarHBondContact O-ND2 2.82Å; Q80-N82 PolarHBondContact O-N 2.9Å; Q80-N82 VanDerWaalsContact O-N 3.17Å; N82-I84 PolarHBondContact O-N 2.56Å
83	I	90.9	Very high	74.7	Confident	59 Å²	59	78.9 Å²	78.9	30%	0.303	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.8	173.9	-57.2	173.9	0	0	0	108	T71 Q81 I86 Y95	T71-I83 HydrophobicContact CG2-CG1 4.04Å; Q81-I83 VanDerWaalsContact C-N 3.28Å; Q81-I83 PolarHBondContact O-N 3.14Å; I83-I86 HydrophobicContact CG2-CD1 4.29Å; I83-I86 HydrophobicContact CG2-CG1 3.95Å; I83-Y95 HydrophobicContact CG2-CD2 3.79Å; I83-Y95 HydrophobicContact CG2-CE2 4.36Å; I83-Y95 HydrophobicContact CG2-CG 4.11Å; I83-Y95 CarbonylContact O-C 3.54Å; I83-Y95 WeakPolarHBondContact O-CB 3.46Å
84	I	93.5	Very high	75	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.015	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-44.2	177.4	-60.3	164	0	0	0	109.3	W70 K72 N82 P94 Y95 V98 G99 A102 L114 Y127	W70-I84 HydrophobicContact CB-CB 4.29Å; W70-I84 PolarHBondContact O-N 2.99Å; K72-I84 HydrophobicContact CB-CD1 4.12Å; K72-I84 HydrophobicContact CB-CG1 4.48Å; N82-I84 PolarHBondContact O-N 2.56Å; I84-P94 CarbonylContact O-C 3.55Å; I84-P94 WeakPolarHBondContact O-CA 3.48Å; I84-Y95 PolarHBondContact O-N 2.04Å; I84-V98 HydrophobicContact CD1-CG1 4.22Å; I84-V98 HydrophobicContact CG1-CB 4.38Å; I84-V98 HydrophobicContact CG1-CG1 4.09Å; I84-V98 HydrophobicContact CG2-CB 4.5Å; I84-V98 HydrophobicContact CG2-CG1 4Å; I84-G99 VanDerWaalsContact O-CA 3.29Å; I84-G99 WeakPolarHBondContact O-CA 3.35Å; I84-A102 HydrophobicContact CG2-CB 3.66Å; I84-L114 HydrophobicContact CD1-CD2 4.25Å; I84-L114 HydrophobicContact CG2-CD1 4.41Å; I84-L114 HydrophobicContact CG2-CD2 4.25Å; I84-Y127 HydrophobicContact CD1-CD1 3.36Å; I84-Y127 HydrophobicContact CD1-CE1 3.39Å
85	M	93.8	Very high	75.9	Confident	1 Å²	1	81 Å²	81	1%	0.005	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	145.3	-173.9	-175	173	-64.9	0	0	111.2	K69 W70 F92 K93 A102 L104 L114	K69-M85 WeakPolarHBondContact CA-O 3.46Å; W70-M85 HydrophobicContact CB-CB 4.43Å; W70-M85 PolarHBondContact N-O 2.88Å; W70-M85 PolarHBondContact O-N 2.99Å; M85-F92 HydrophobicContact CE-CD2 3.37Å; M85-F92 HydrophobicContact CE-CE2 3.7Å; M85-F92 HydrophobicContact CE-CG 4.25Å; M85-F92 HydrophobicContact CG-CB 4.14Å; M85-F92 HydrophobicContact CG-CD2 4.18Å; M85-F92 HydrophobicContact SD-CB 3.76Å; M85-F92 HydrophobicContact SD-CD2 3.56Å; M85-F92 VanDerWaalsContact SD-CD2 3.56Å; M85-F92 HydrophobicContact SD-CE2 4.41Å; M85-F92 HydrophobicContact SD-CG 3.88Å; M85-K93 WeakPolarHBondContact CA-O 3.27Å; M85-A102 HydrophobicContact CE-CB 4.09Å; M85-A102 WeakPolarHBondContact CE-O 3.3Å; M85-L104 HydrophobicContact SD-CD2 4.31Å; M85-L104 HydrophobicContact SD-CG 3.96Å; M85-L114 HydrophobicContact CE-CD1 4.46Å; M85-L114 HydrophobicContact SD-CD1 4.48Å
86	I	94.1	Very high	77.3	Confident	48 Å²	48	76.8 Å²	76.8	25%	0.246	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.1	162	-59.3	175	0	0	0	107.9	I68 K69 I83 F92 K93 Y95	I68-I86 CarbonylContact O-C 3.52Å; I68-I86 WeakPolarHBondContact O-CA 3.4Å; K69-I86 HydrophobicContact CB-CG1 4.33Å; K69-I86 HydrophobicContact CD-CD1 4.44Å; K69-I86 HydrophobicContact CD-CG1 4.4Å; K69-I86 HydrophobicContact CG-CG1 4.15Å; I83-I86 HydrophobicContact CG2-CD1 4.29Å; I83-I86 HydrophobicContact CG2-CG1 3.95Å; I86-F92 CarbonylContact O-C 3.54Å; I86-F92 WeakPolarHBondContact O-CA 3.13Å; I86-K93 PolarHBondContact N-O 2.85Å; I86-K93 PolarHBondContact O-N 2.92Å; I86-Y95 HydrophobicContact CB-CE2 4.06Å; I86-Y95 HydrophobicContact CD1-CE2 4.05Å; I86-Y95 HydrophobicContact CG1-CE2 3.9Å
87	S	92.1	Very high	78.9	Confident	5 Å²	5	77.8 Å²	77.8	4%	0.035	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.1	174.7	-165.8	0	0	0	0	110.9	K67 I68 A91 L104	K67-S87 CarbonylContact C-O 3.59Å; K67-S87 VanDerWaalsContact CA-O 3.29Å; K67-S87 WeakPolarHBondContact CA-O 3.13Å; I68-S87 PolarHBondContact N-O 3.47Å; I68-S87 PolarHBondContact O-N 3.19Å; S87-A91 WeakPolarHBondContact CA-O 3.5Å; S87-A91 PolarHBondContact OG-O 3.29Å; S87-A91 VanDerWaalsContact OG-O 3.04Å; S87-L104 WeakPolarHBondContact OG-CD1 3.46Å
88	N	84.6	Confident	80.7	Confident	77 Å²	77	74.1 Å²	74.1	41%	0.412	42%	0.418	S	S	.	.			trans	-96.5	179.4	154.7	66.5	32.9	0	0	0	108.6	N90 A91	N88-N90 PolarHBondContact O-N 2.71Å; N88-N90 PolarHBondContact OD1-N 2.9Å; N88-A91 PolarHBondContact N-O 2.87Å; N88-A91 PolarHBondContact OD1-N 3.35Å; N88-A91 PolarHBondContact OD1-O 2.86Å
89	A	69.2	Low	82.9	Confident	48 Å²	48	66 Å²	66	40%	0.397	38%	0.375	S	S	.	.	S	Bend	trans	-56.8	-22.8	-178.8	0	0	0	0	0	114.3	Y66	Y66-A89 HydrophobicContact CE1-CB 4.35Å
90	N	72.4	Confident	85.1	Confident	143 Å²	143	72.9 Å²	72.9	77%	0.765	38%	0.377	S	S	*	.	S	Bend	trans	-112.7	-31.4	-169.4	-62.2	-16.2	0	0	0	113.4	N88	N88-N90 PolarHBondContact O-N 2.71Å; N88-N90 PolarHBondContact OD1-N 2.9Å
91	A	83.8	Confident	87.3	Confident	53 Å²	53	67 Å²	67	44%	0.438	35%	0.348	S	S	.	.			trans	-141.5	151.9	-172.6	0	0	0	0	0	111	S87 N88	S87-A91 WeakPolarHBondContact CA-O 3.5Å; S87-A91 PolarHBondContact OG-O 3.29Å; S87-A91 VanDerWaalsContact OG-O 3.04Å; N88-A91 PolarHBondContact N-O 2.87Å; N88-A91 PolarHBondContact OD1-N 3.35Å; N88-A91 PolarHBondContact OD1-O 2.86Å
92	F	89.3	Confident	89.2	Confident	92 Å²	92	59.7 Å²	59.7	40%	0.404	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.5	172.9	74.8	-88.7	0	0	0	110.8	M85 I86 L104	M85-F92 HydrophobicContact CE-CD2 3.37Å; M85-F92 HydrophobicContact CE-CE2 3.7Å; M85-F92 HydrophobicContact CE-CG 4.25Å; M85-F92 HydrophobicContact CG-CB 4.14Å; M85-F92 HydrophobicContact CG-CD2 4.18Å; M85-F92 HydrophobicContact SD-CB 3.76Å; M85-F92 HydrophobicContact SD-CD2 3.56Å; M85-F92 VanDerWaalsContact SD-CD2 3.56Å; M85-F92 HydrophobicContact SD-CE2 4.41Å; M85-F92 HydrophobicContact SD-CG 3.88Å; I86-F92 CarbonylContact O-C 3.54Å; I86-F92 WeakPolarHBondContact O-CA 3.13Å; F92-L104 HydrophobicContact CB-CD1 4.45Å
93	K	93.3	Very high	89.8	Confident	124 Å²	124	59.5 Å²	59.5	54%	0.539	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.5	176.2	-176.8	167.7	172.6	178.3	0	109.4	M85 I86 Y95	M85-K93 WeakPolarHBondContact CA-O 3.27Å; I86-K93 PolarHBondContact N-O 2.85Å; I86-K93 PolarHBondContact O-N 2.92Å; K93-Y95 HydrophobicContact CB-CE2 4Å; K93-Y95 HydrophobicContact CD-CE1 4.42Å; K93-Y95 HydrophobicContact CD-CE2 4.24Å; K93-Y95 WeakPolarHBondContact CD-OH 3.35Å; K93-Y95 HydrophobicContact CG-CE2 3.79Å; K93-Y95 VanDerWaalsContact O-CD2 3.22Å; K93-Y95 WeakPolarHBondContact O-CD2 3.45Å; K93-Y95 WeakPolarHBondContact O-CE2 3.4Å
94	P	93.8	Very high	89.9	Confident	60 Å²	60	57.8 Å²	57.8	39%	0.39	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	153.6	175.8	31.6	-33.5	0	0	0	112	I84 G99	I84-P94 CarbonylContact O-C 3.55Å; I84-P94 WeakPolarHBondContact O-CA 3.48Å; P94-G99 WeakPolarHBondContact CB-O 3.29Å
95	Y	91.7	Very high	89.8	Confident	81 Å²	81	61.1 Å²	61.1	32%	0.318	33%	0.326	S	S	.	.			trans	-140.3	143.6	-179.3	-65.6	-92.7	0	0	0	111.2	I83 I84 I86 K93 G99	I83-Y95 HydrophobicContact CG2-CD2 3.79Å; I83-Y95 HydrophobicContact CG2-CE2 4.36Å; I83-Y95 HydrophobicContact CG2-CG 4.11Å; I83-Y95 CarbonylContact O-C 3.54Å; I83-Y95 WeakPolarHBondContact O-CB 3.46Å; I84-Y95 PolarHBondContact O-N 2.04Å; I86-Y95 HydrophobicContact CB-CE2 4.06Å; I86-Y95 HydrophobicContact CD1-CE2 4.05Å; I86-Y95 HydrophobicContact CG1-CE2 3.9Å; K93-Y95 HydrophobicContact CB-CE2 4Å; K93-Y95 HydrophobicContact CD-CE1 4.42Å; K93-Y95 HydrophobicContact CD-CE2 4.24Å; K93-Y95 WeakPolarHBondContact CD-OH 3.35Å; K93-Y95 HydrophobicContact CG-CE2 3.79Å; K93-Y95 VanDerWaalsContact O-CD2 3.22Å; K93-Y95 WeakPolarHBondContact O-CD2 3.45Å; K93-Y95 WeakPolarHBondContact O-CE2 3.4Å; Y95-G99 WeakPolarHBondContact O-CA 3.44Å; Y95-G99 PolarHBondContact O-N 2.78Å; Y95-G99 VanDerWaalsContact O-N 3.1Å
96	G	89.5	Confident	89.5	Confident	29 Å²	29	66.5 Å²	66.5	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	65.8	-176.8	178.9	0	0	0	0	0	114.5	G99	G96-G99 PolarHBondContact O-N 3.46Å
97	P	89.6	Confident	89.3	Confident	95 Å²	95	67.8 Å²	67.8	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-62.8	-46	179.1	-23.2	34.5	0	0	0	112.7	G99 R100	P97-G99 VanDerWaalsContact C-N 3.31Å; P97-G99 PolarHBondContact O-N 2.99Å; P97-R100 WeakPolarHBondContact O-CB 3.04Å; P97-R100 PolarHBondContact O-N 2.84Å
98	V	92.3	Very high	89.3	Confident	27 Å²	27	72.4 Å²	72.4	16%	0.164	39%	0.385	C	S	.	.	H	α-helix	trans	-61.1	-40.7	178.6	-177	0	0	0	0	110.9	I84 R100 R101 A102 L116	I84-V98 HydrophobicContact CD1-CG1 4.22Å; I84-V98 HydrophobicContact CG1-CB 4.38Å; I84-V98 HydrophobicContact CG1-CG1 4.09Å; I84-V98 HydrophobicContact CG2-CB 4.5Å; I84-V98 HydrophobicContact CG2-CG1 4Å; V98-R100 PolarHBondContact O-N 2.95Å; V98-R101 PolarHBondContact O-N 2.98Å; V98-A102 PolarHBondContact O-N 3.17Å; V98-L116 HydrophobicContact CG1-CD1 3.72Å; V98-L116 HydrophobicContact CG1-CD2 4.2Å
99	G	93.6	Very high	89.5	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.01	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-29.6	178.7	0	0	0	0	0	114	I84 P94 Y95 G96 P97 R101 A102	I84-G99 VanDerWaalsContact O-CA 3.29Å; I84-G99 WeakPolarHBondContact O-CA 3.35Å; P94-G99 WeakPolarHBondContact CB-O 3.29Å; Y95-G99 WeakPolarHBondContact O-CA 3.44Å; Y95-G99 PolarHBondContact O-N 2.78Å; Y95-G99 VanDerWaalsContact O-N 3.1Å; G96-G99 PolarHBondContact O-N 3.46Å; P97-G99 VanDerWaalsContact C-N 3.31Å; P97-G99 PolarHBondContact O-N 2.99Å; G99-R101 PolarHBondContact O-N 2.83Å; G99-A102 PolarHBondContact O-N 2.76Å
100	R	93.6	Very high	90.6	Very high	222 Å²	222	73.8 Å²	73.8	84%	0.838	39%	0.389	S	S	*	.	H	α-helix	trans	-65.6	-25.7	176.9	-65	177.8	-179.9	177.4	-0	112.9	P97 V98	P97-R100 WeakPolarHBondContact O-CB 3.04Å; P97-R100 PolarHBondContact O-N 2.84Å; V98-R100 PolarHBondContact O-N 2.95Å
101	R	95.6	Very high	91.5	Very high	35 Å²	35	67.6 Å²	67.6	13%	0.132	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.8	177.8	-65	-169.7	-75.9	95.9	1.6	113	V98 G99 L116 S117 H118 E120 D123	V98-R101 PolarHBondContact O-N 2.98Å; G99-R101 PolarHBondContact O-N 2.83Å; R101-L116 HydrophobicContact CB-CD1 4.11Å; R101-S117 WeakPolarHBondContact CB-O 3.47Å; R101-S117 WeakPolarHBondContact CD-O 3.15Å; R101-S117 PolarHBondContact NH1-O 2.99Å; R101-S117 PolarHBondContact O-N 2.8Å; R101-S117 PolarHBondContact O-OG 3.24Å; R101-H118 PolarHBondContact NH1-O 2.78Å; R101-H118 VanDerWaalsContact NH1-O 3.14Å; R101-E120 IonicContact CZ-OE1 3.88Å; R101-E120 IonicContact NE-OE1 3.44Å; R101-E120 PolarHBondContact NE-OE1 2.72Å; R101-E120 VanDerWaalsContact NH2-CD 3.35Å; R101-E120 IonicContact NH2-OE1 3.55Å; R101-E120 PolarHBondContact NH2-OE1 2.61Å; R101-E120 IonicContact NH2-OE2 3.63Å; R101-D123 IonicContact CZ-OD1 3.38Å; R101-D123 IonicContact CZ-OD2 3.73Å; R101-D123 VanDerWaalsContact CZ-OD2 3.27Å; R101-D123 IonicContact NH1-OD2 3.27Å; R101-D123 PolarHBondContact NH1-OD2 3.01Å; R101-D123 VanDerWaalsContact NH2-CG 3.29Å; R101-D123 IonicContact NH2-OD1 2.87Å; R101-D123 PolarHBondContact NH2-OD1 3.1Å; R101-D123 IonicContact NH2-OD2 3.29Å; R101-D123 PolarHBondContact NH2-OD2 3.39Å
102	A	95.4	Very high	92	Very high	7 Å²	7	65.3 Å²	65.3	6%	0.058	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.8	-173.8	0	0	0	0	0	112.1	I84 M85 V98 G99 L114 L115 L116	I84-A102 HydrophobicContact CG2-CB 3.66Å; M85-A102 HydrophobicContact CE-CB 4.09Å; M85-A102 WeakPolarHBondContact CE-O 3.3Å; V98-A102 PolarHBondContact O-N 3.17Å; G99-A102 PolarHBondContact O-N 2.76Å; A102-L114 HydrophobicContact CB-CD1 3.96Å; A102-L114 HydrophobicContact CB-CG 4.4Å; A102-L115 CarbonylContact C-O 3.59Å; A102-L115 WeakPolarHBondContact CA-O 3.43Å; A102-L116 HydrophobicContact CB-CD1 4.12Å
103	S	94.3	Very high	92.3	Very high	40 Å²	40	61.2 Å²	61.2	28%	0.28	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	166.9	173.2	60.2	0	0	0	0	110.4	L115	S103-L115 PolarHBondContact N-O 2.97Å; S103-L115 PolarHBondContact O-N 2.89Å
104	L	92.9	Very high	92.4	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.4	166.3	-70.6	176.6	0	0	0	109.8	M85 S87 F92 R106	M85-L104 HydrophobicContact SD-CD2 4.31Å; M85-L104 HydrophobicContact SD-CG 3.96Å; S87-L104 WeakPolarHBondContact OG-CD1 3.46Å; F92-L104 HydrophobicContact CB-CD1 4.45Å; L104-R106 HydrophobicContact CB-CG 3.8Å
105	L	91.7	Very high	92.5	Very high	72 Å²	72	54.7 Å²	54.7	38%	0.377	29%	0.288	S	S	.	.			trans	-67.1	-48.7	176.6	-179.4	62.7	0	0	0	111.8	T54 A107 S113	T54-L105 HydrophobicContact CG2-CD2 3.75Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 HydrophobicContact CD2-CB 4.22Å; L105-A107 HydrophobicContact CG-CB 4.25Å; L105-A107 PolarHBondContact O-N 3.49Å; L105-S113 PolarHBondContact N-O 2.77Å
106	R	87.8	Confident	92.7	Very high	114 Å²	114	50.9 Å²	50.9	43%	0.43	27%	0.272	S	S	.	.			trans	53.3	43.8	-179.3	-58.3	-175	173	179.6	-4.1	113.6	L104 H108 D111	L104-R106 HydrophobicContact CB-CG 3.8Å; R106-H108 PolarHBondContact O-N 3.4Å; R106-D111 PolarHBondContact N-OD2 3.21Å
107	A	89.7	Confident	93.1	Very high	76 Å²	76	50.9 Å²	50.9	63%	0.628	27%	0.268	S	S	*	.	S	Bend	trans	-61	-28.2	176.7	0	0	0	0	0	112.7	L105 D111	L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 HydrophobicContact CD2-CB 4.22Å; L105-A107 HydrophobicContact CG-CB 4.25Å; L105-A107 PolarHBondContact O-N 3.49Å; A107-D111 HydrophobicContact CB-CB 4.5Å; A107-D111 VanDerWaalsContact CB-OD2 3.26Å; A107-D111 WeakPolarHBondContact CB-OD2 3.45Å; A107-D111 PolarHBondContact N-OD2 3.05Å
108	H	90.6	Very high	93.4	Very high	101 Å²	101	52 Å²	52	47%	0.468	27%	0.265	S	S	.	.	S	Bend	trans	-153.4	177.2	170	58.3	90.8	0	0	0	110.9	R106 M110 D111	R106-H108 PolarHBondContact O-N 3.4Å; H108-M110 PolarHBondContact ND1-N 3.21Å; H108-M110 PolarHBondContact O-N 2.97Å; H108-D111 WeakPolarHBondContact O-CB 3.42Å; H108-D111 PolarHBondContact O-N 3.31Å
109	T	89.3	Confident	93.6	Very high	114 Å²	114	50.8 Å²	50.8	70%	0.699	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.9	-172.5	54.1	0	0	0	0	116
110	M	92.1	Very high	93.7	Very high	40 Å²	40	55.4 Å²	55.4	20%	0.197	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-0.4	179.8	-54.3	-65.3	-75.9	0	0	112.1	L59 R60 K62 H108	L59-M110 HydrophobicContact CB-CB 4.14Å; L59-M110 HydrophobicContact CB-CE 3.65Å; L59-M110 WeakPolarHBondContact CB-O 3.48Å; L59-M110 HydrophobicContact CB-SD 4.41Å; L59-M110 PolarHBondContact N-O 2.98Å; L59-M110 WeakPolarHBondContact O-CE 3.05Å; R60-M110 VanDerWaalsContact C-CE 3.49Å; R60-M110 WeakPolarHBondContact O-CE 3.07Å; K62-M110 HydrophobicContact CB-CE 3.99Å; K62-M110 HydrophobicContact CB-SD 3.76Å; K62-M110 HydrophobicContact CD-SD 4.34Å; H108-M110 PolarHBondContact ND1-N 3.21Å; H108-M110 PolarHBondContact O-N 2.97Å
111	D	92.6	Very high	93.8	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.07	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-88.6	112.6	-177.3	-178.2	15.7	0	0	0	110.9	I58 R106 A107 H108 S113	I58-D111 HydrophobicContact CD1-CB 4.08Å; I58-D111 WeakPolarHBondContact CD1-OD1 3.45Å; R106-D111 PolarHBondContact N-OD2 3.21Å; A107-D111 HydrophobicContact CB-CB 4.5Å; A107-D111 VanDerWaalsContact CB-OD2 3.26Å; A107-D111 WeakPolarHBondContact CB-OD2 3.45Å; A107-D111 PolarHBondContact N-OD2 3.05Å; H108-D111 WeakPolarHBondContact O-CB 3.42Å; H108-D111 PolarHBondContact O-N 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.43Å; D111-S113 PolarHBondContact OD1-N 2.55Å; D111-S113 PolarHBondContact OD1-OG 2.82Å
112	A	93.4	Very high	93.6	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.256	C	S	.	.			trans	-111.4	18.4	175.2	0	0	0	0	0	112.1	C57 I68 W70	C57-A112 HydrophobicContact CB-CB 4.48Å; C57-A112 CarbonylContact O-C 3.46Å; C57-A112 VanDerWaalsContact O-C 3.26Å; C57-A112 VanDerWaalsContact O-CA 3.29Å; C57-A112 WeakPolarHBondContact O-CA 3.2Å; C57-A112 WeakPolarHBondContact O-CB 3.42Å; C57-A112 PolarHBondContact O-N 3.49Å; I68-A112 HydrophobicContact CD1-CB 4.25Å; I68-A112 HydrophobicContact CG1-CB 3.95Å; I68-A112 HydrophobicContact CG2-CB 4.24Å; W70-A112 PolarHBondContact NE1-O 2.91Å
113	S	94.8	Very high	93.6	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.035	25%	0.254	C	S	.	.			trans	-63.4	141.9	-177.5	-54.4	0	0	0	0	111.8	L55 P56 C57 L105 D111	L55-S113 VanDerWaalsContact O-CA 3.3Å; L55-S113 WeakPolarHBondContact O-CA 3.19Å; L55-S113 VanDerWaalsContact O-CB 3.29Å; L55-S113 WeakPolarHBondContact O-CB 3.33Å; P56-S113 WeakPolarHBondContact CA-OG 3.34Å; C57-S113 PolarHBondContact N-OG 2.97Å; C57-S113 PolarHBondContact O-N 3.37Å; L105-S113 PolarHBondContact N-O 2.77Å; D111-S113 WeakPolarHBondContact OD1-CB 3.43Å; D111-S113 PolarHBondContact OD1-N 2.55Å; D111-S113 PolarHBondContact OD1-OG 2.82Å
114	L	95.6	Very high	93.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.6	177.8	-168	75	0	0	0	109	T54 L55 W70 I84 M85 A102 Y127	T54-L114 CarbonylContact C-O 3.55Å; T54-L114 WeakPolarHBondContact CA-O 3.14Å; L55-L114 HydrophobicContact CB-CB 4.24Å; L55-L114 HydrophobicContact CD1-CD2 4.13Å; L55-L114 PolarHBondContact N-O 2.8Å; L55-L114 PolarHBondContact O-N 3.25Å; W70-L114 HydrophobicContact CB-CD1 4.22Å; W70-L114 HydrophobicContact CB-CD2 4.46Å; W70-L114 HydrophobicContact CD2-CB 3.85Å; W70-L114 HydrophobicContact CD2-CD1 4.37Å; W70-L114 HydrophobicContact CD2-CD2 4.12Å; W70-L114 HydrophobicContact CD2-CG 4.36Å; W70-L114 HydrophobicContact CE3-CB 4.31Å; W70-L114 HydrophobicContact CE3-CD2 4.15Å; W70-L114 HydrophobicContact CG-CB 4.26Å; W70-L114 HydrophobicContact CG-CD1 3.91Å; W70-L114 HydrophobicContact CG-CD2 4.28Å; W70-L114 HydrophobicContact CG-CG 4.4Å; W70-L114 HydrophobicContact CH2-CB 4.17Å; W70-L114 HydrophobicContact CZ2-CB 3.71Å; W70-L114 HydrophobicContact CZ3-CB 4.47Å; I84-L114 HydrophobicContact CD1-CD2 4.25Å; I84-L114 HydrophobicContact CG2-CD1 4.41Å; I84-L114 HydrophobicContact CG2-CD2 4.25Å; M85-L114 HydrophobicContact CE-CD1 4.46Å; M85-L114 HydrophobicContact SD-CD1 4.48Å; A102-L114 HydrophobicContact CB-CD1 3.96Å; A102-L114 HydrophobicContact CB-CG 4.4Å; L114-Y127 HydrophobicContact CD2-CD1 4.49Å
115	L	96.2	Very high	93.5	Very high	48 Å²	48	44.8 Å²	44.8	25%	0.251	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.8	164.9	179.1	65.4	0	0	0	107.9	A102 S103	A102-L115 CarbonylContact C-O 3.59Å; A102-L115 WeakPolarHBondContact CA-O 3.43Å; S103-L115 PolarHBondContact N-O 2.97Å; S103-L115 PolarHBondContact O-N 2.89Å
116	L	97.1	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.6	174.2	-174.6	60.4	0	0	0	108.9	N52 V53 V98 R101 A102 L119 D123 L144	N52-L116 WeakPolarHBondContact CA-O 3.31Å; V53-L116 HydrophobicContact CG2-CB 4.25Å; V53-L116 PolarHBondContact N-O 3.39Å; V53-L116 PolarHBondContact O-N 2.87Å; V98-L116 HydrophobicContact CG1-CD1 3.72Å; V98-L116 HydrophobicContact CG1-CD2 4.2Å; R101-L116 HydrophobicContact CB-CD1 4.11Å; A102-L116 HydrophobicContact CB-CD1 4.12Å; L116-L119 HydrophobicContact CB-CD2 4.45Å; L116-L119 HydrophobicContact CD2-CD2 3.59Å; L116-L119 HydrophobicContact CG-CD2 3.87Å; L116-D123 HydrophobicContact CD2-CB 4.34Å; L116-L144 HydrophobicContact CD2-CD2 3.98Å
117	S	97.1	Very high	93.8	Very high	29 Å²	29	42.2 Å²	42.2	20%	0.203	24%	0.236	C	C	.	.			trans	-96.5	155.7	-178.7	65.5	0	0	0	0	112.5	N52 R101	N52-S117 WeakPolarHBondContact OD1-CA 3.26Å; N52-S117 VanDerWaalsContact OD1-CB 3.27Å; N52-S117 WeakPolarHBondContact OD1-CB 3.41Å; R101-S117 WeakPolarHBondContact CB-O 3.47Å; R101-S117 WeakPolarHBondContact CD-O 3.15Å; R101-S117 PolarHBondContact NH1-O 2.99Å; R101-S117 PolarHBondContact O-N 2.8Å; R101-S117 PolarHBondContact O-OG 3.24Å
118	H	96.1	Very high	93.9	Very high	119 Å²	119	40.1 Å²	40.1	55%	0.551	21%	0.213	S	C	*	.	S	Bend	trans	48.2	64.9	175.2	-57.1	90.1	0	0	0	112.7	D51 N52 R101 E120	D51-H118 PolarHBondContact O-N 3.26Å; D51-H118 VanDerWaalsContact O-N 3.14Å; N52-H118 PolarHBondContact OD1-N 3.07Å; R101-H118 PolarHBondContact NH1-O 2.78Å; R101-H118 VanDerWaalsContact NH1-O 3.14Å; H118-E120 PolarHBondContact O-N 3.41Å
119	L	96.3	Very high	94.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.191	C	C	.	.			trans	-54	135.4	-178.1	-72.8	-177.1	0	0	0	112.9	R49 G50 D51 V53 L116 D123 L144 I146	R49-L119 CarbonylContact C-O 3.42Å; R49-L119 WeakPolarHBondContact CA-O 3.22Å; R49-L119 WeakPolarHBondContact CG-O 3.35Å; G50-L119 PolarHBondContact N-O 3.47Å; D51-L119 HydrophobicContact CB-CD1 4.36Å; D51-L119 WeakPolarHBondContact O-CG 3.36Å; D51-L119 PolarHBondContact O-N 3.47Å; V53-L119 HydrophobicContact CB-CD1 4.32Å; V53-L119 HydrophobicContact CG1-CD1 3.61Å; V53-L119 HydrophobicContact CG1-CG 4.49Å; V53-L119 HydrophobicContact CG2-CD1 3.77Å; V53-L119 HydrophobicContact CG2-CD2 3.77Å; V53-L119 HydrophobicContact CG2-CG 4.05Å; L116-L119 HydrophobicContact CB-CD2 4.45Å; L116-L119 HydrophobicContact CD2-CD2 3.59Å; L116-L119 HydrophobicContact CG-CD2 3.87Å; L119-D123 WeakPolarHBondContact CA-OD2 3.29Å; L119-D123 HydrophobicContact CD2-CB 4.08Å; L119-L144 HydrophobicContact CD1-CD1 4.29Å; L119-L144 HydrophobicContact CD2-CD2 3.79Å; L119-I146 HydrophobicContact CB-CD1 4.01Å; L119-I146 HydrophobicContact CD1-CD1 3.7Å; L119-I146 HydrophobicContact CD2-CD1 4.38Å; L119-I146 HydrophobicContact CG-CD1 4.26Å
120	E	95.3	Very high	94.3	Very high	97 Å²	97	31 Å²	31	45%	0.453	16%	0.163	S	C	.	.			trans	-105.7	160.8	173.4	-67.6	170.9	-150.7	0	0	110.4	R101 H118 G122 D123	R101-E120 IonicContact CZ-OE1 3.88Å; R101-E120 IonicContact NE-OE1 3.44Å; R101-E120 PolarHBondContact NE-OE1 2.72Å; R101-E120 VanDerWaalsContact NH2-CD 3.35Å; R101-E120 IonicContact NH2-OE1 3.55Å; R101-E120 PolarHBondContact NH2-OE1 2.61Å; R101-E120 IonicContact NH2-OE2 3.63Å; H118-E120 PolarHBondContact O-N 3.41Å; E120-G122 PolarHBondContact O-N 3.18Å; E120-D123 PolarHBondContact N-OD2 3.39Å; E120-D123 WeakPolarHBondContact O-CB 3.37Å; E120-D123 PolarHBondContact O-N 2.81Å
121	L	95.3	Very high	94.4	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.073	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-58.5	-38.7	-180	-60	179.8	0	0	0	111.8	R49 D123 D124 I146 M177 F242 S244	R49-L121 HydrophobicContact CB-CD2 4.41Å; L121-D123 PolarHBondContact O-N 3.27Å; L121-D124 PolarHBondContact O-N 2.84Å; L121-I146 HydrophobicContact CD2-CG2 4.37Å; L121-M177 HydrophobicContact CB-CG 4.06Å; L121-M177 HydrophobicContact CB-SD 3.49Å; L121-M177 WeakPolarHBondContact CB-SD 3.27Å; L121-M177 HydrophobicContact CD1-CG 4.31Å; L121-F242 HydrophobicContact CD2-CD1 4.3Å; L121-F242 HydrophobicContact CD2-CE1 3.98Å; L121-S244 VanDerWaalsContact CD2-CB 3.41Å
122	G	92.7	Very high	94.3	Very high	41 Å²	41	30.9 Å²	30.9	42%	0.423	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-73.6	0.6	177.6	0	0	0	0	0	114.4	K72 E120 D124	K72-G122 PolarHBondContact NZ-O 2.74Å; E120-G122 PolarHBondContact O-N 3.18Å; G122-D124 VanDerWaalsContact C-N 3.32Å
123	D	94.1	Very high	94	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-81.3	-10.3	173.4	-69	-26.3	0	0	0	112.3	R101 L116 L119 E120 L121 G125 Y127 L144 I146	R101-D123 IonicContact CZ-OD1 3.38Å; R101-D123 IonicContact CZ-OD2 3.73Å; R101-D123 VanDerWaalsContact CZ-OD2 3.27Å; R101-D123 IonicContact NH1-OD2 3.27Å; R101-D123 PolarHBondContact NH1-OD2 3.01Å; R101-D123 VanDerWaalsContact NH2-CG 3.29Å; R101-D123 IonicContact NH2-OD1 2.87Å; R101-D123 PolarHBondContact NH2-OD1 3.1Å; R101-D123 IonicContact NH2-OD2 3.29Å; R101-D123 PolarHBondContact NH2-OD2 3.39Å; L116-D123 HydrophobicContact CD2-CB 4.34Å; L119-D123 WeakPolarHBondContact CA-OD2 3.29Å; L119-D123 HydrophobicContact CD2-CB 4.08Å; E120-D123 PolarHBondContact N-OD2 3.39Å; E120-D123 WeakPolarHBondContact O-CB 3.37Å; E120-D123 PolarHBondContact O-N 2.81Å; L121-D123 PolarHBondContact O-N 3.27Å; D123-G125 PolarHBondContact O-N 2.84Å; D123-Y127 VanDerWaalsContact O-CE2 3.32Å; D123-Y127 WeakPolarHBondContact O-CE2 3.39Å; D123-Y127 PolarHBondContact O-OH 3.29Å; D123-L144 HydrophobicContact CB-CD2 4.15Å; D123-L144 WeakPolarHBondContact O-CD2 3.41Å; D123-I146 HydrophobicContact CB-CD1 4.39Å
124	D	93.1	Very high	93.4	Very high	29 Å²	29	35.6 Å²	35.6	16%	0.155	20%	0.203	C	C	.	.			trans	-57.1	137.5	173	-164.6	-78.7	0	0	0	110.7	K72 L121 G122 R145 I146	K72-D124 VanDerWaalsContact CE-O 3.26Å; K72-D124 WeakPolarHBondContact CE-O 3.29Å; K72-D124 PolarHBondContact NZ-O 3.1Å; L121-D124 PolarHBondContact O-N 2.84Å; G122-D124 VanDerWaalsContact C-N 3.32Å; D124-R145 WeakPolarHBondContact OD2-CA 3.09Å; D124-I146 HydrophobicContact CB-CB 4.29Å; D124-I146 HydrophobicContact CB-CG1 3.86Å; D124-I146 PolarHBondContact OD2-N 3.46Å
125	G	92	Very high	92.1	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.3	-167	174.4	0	0	0	0	0	114.4	D123 Y127 L144	D123-G125 PolarHBondContact O-N 2.84Å; G125-Y127 WeakPolarHBondContact O-CD2 3.47Å; G125-L144 PolarHBondContact N-O 3.01Å; G125-L144 PolarHBondContact O-N 3.31Å
126	R	91.9	Very high	90.9	Very high	132 Å²	132	45.5 Å²	45.5	50%	0.498	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.2	-177.8	-66.2	175.7	68.4	-153.7	0.8	110.2	L73 V141 I142	L73-R126 HydrophobicContact CB-CB 4.05Å; L73-R126 HydrophobicContact CD1-CB 4.24Å; L73-R126 HydrophobicContact CG-CB 4.5Å; L73-R126 PolarHBondContact N-O 3.26Å; R126-V141 HydrophobicContact CB-CG1 3.94Å; R126-V141 HydrophobicContact CG-CG1 4.43Å; R126-I142 CarbonylContact C-O 3.55Å; R126-I142 WeakPolarHBondContact CA-O 3.47Å
127	Y	93.6	Very high	90.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.7	-176.7	-71.7	-106.5	0	0	0	108.8	L55 T71 K72 I84 L114 D123 G125 V141 I142 L144	L55-Y127 HydrophobicContact CD1-CD1 3.59Å; L55-Y127 HydrophobicContact CD1-CD2 3.94Å; L55-Y127 HydrophobicContact CD1-CE1 4.2Å; L55-Y127 HydrophobicContact CD1-CG 3.45Å; L55-Y127 VanDerWaalsContact CD1-CG 3.45Å; T71-Y127 CarbonylContact O-C 3.55Å; T71-Y127 VanDerWaalsContact O-CA 3.31Å; T71-Y127 WeakPolarHBondContact O-CA 3.43Å; K72-Y127 HydrophobicContact CB-CD1 4.48Å; K72-Y127 HydrophobicContact CB-CE1 4.25Å; K72-Y127 HydrophobicContact CD-CE1 4.41Å; K72-Y127 HydrophobicContact CD-CE2 4.41Å; K72-Y127 WeakPolarHBondContact CE-OH 3.49Å; K72-Y127 HydrophobicContact CG-CD1 4.42Å; K72-Y127 HydrophobicContact CG-CE1 4.03Å; K72-Y127 HydrophobicContact CG-CE2 4.1Å; I84-Y127 HydrophobicContact CD1-CD1 3.36Å; I84-Y127 HydrophobicContact CD1-CE1 3.39Å; L114-Y127 HydrophobicContact CD2-CD1 4.49Å; D123-Y127 VanDerWaalsContact O-CE2 3.32Å; D123-Y127 WeakPolarHBondContact O-CE2 3.39Å; D123-Y127 PolarHBondContact O-OH 3.29Å; G125-Y127 WeakPolarHBondContact O-CD2 3.47Å; Y127-V141 CarbonylContact O-C 3.21Å; Y127-V141 WeakPolarHBondContact O-CA 3.36Å; Y127-I142 PolarHBondContact N-O 2.79Å; Y127-I142 PolarHBondContact O-N 3.17Å; Y127-L144 HydrophobicContact CD2-CB 3.84Å; Y127-L144 HydrophobicContact CE2-CB 3.63Å; Y127-L144 HydrophobicContact CE2-CD2 3.93Å; Y127-L144 HydrophobicContact CE2-CG 4.37Å
128	Q	93.7	Very high	89.7	Confident	31 Å²	31	48.1 Å²	48.1	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	-179.8	-179.9	-178.1	-35.4	0	0	109.8	W70 T71 L73 N139 I140 V141	W70-Q128 WeakPolarHBondContact CA-O 3.49Å; T71-Q128 PolarHBondContact N-O 3.41Å; T71-Q128 PolarHBondContact O-N 2.96Å; T71-Q128 WeakPolarHBondContact OG1-CB 3.34Å; L73-Q128 HydrophobicContact CD1-CB 4.15Å; L73-Q128 HydrophobicContact CD2-CB 3.97Å; L73-Q128 HydrophobicContact CG-CB 4.08Å; Q128-N139 HydrophobicContact CG-CB 3.8Å; Q128-I140 WeakPolarHBondContact CA-O 3.49Å; Q128-V141 HydrophobicContact CB-CG2 4.35Å; Q128-V141 HydrophobicContact CG-CG2 4.39Å
129	C	94.1	Very high	89.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.2	164.5	-173	0	0	0	0	107.9	C57 W70 N139 I140	C57-C129 HydrophobicContact CB-CB 3.65Å; C57-C129 WeakPolarHBondContact CB-SG 3.28Å; C57-C129 WeakPolarHBondContact SG-CB 3.41Å; C57-C129 CovalentContact SG-SG 2.04Å; C57-C129 PolarHBondContact SG-SG 3.09Å; W70-C129 HydrophobicContact CD2-CB 4.03Å; W70-C129 HydrophobicContact CE3-CB 4.1Å; W70-C129 HydrophobicContact CH2-CB 3.72Å; W70-C129 HydrophobicContact CZ2-CB 3.62Å; W70-C129 HydrophobicContact CZ3-CB 3.95Å; C129-N139 CarbonylContact O-C 3.59Å; C129-N139 WeakPolarHBondContact O-CA 3.32Å; C129-N139 WeakPolarHBondContact O-CB 3.46Å; C129-I140 HydrophobicContact CB-CD1 4.44Å; C129-I140 HydrophobicContact CB-CG1 3.84Å; C129-I140 PolarHBondContact N-O 2.96Å; C129-I140 PolarHBondContact O-N 3.28Å
130	E	93.6	Very high	89.3	Confident	25 Å²	25	46.1 Å²	46.1	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.1	-178.3	-178.7	175.3	-128.6	0	0	109.5	I68 K69 I132 E138 N139	I68-E130 CarbonylContact C-O 3.54Å; I68-E130 WeakPolarHBondContact CA-O 3.31Å; K69-E130 HydrophobicContact CB-CB 4.32Å; K69-E130 WeakPolarHBondContact CD-OE2 3.33Å; K69-E130 PolarHBondContact N-O 3.08Å; K69-E130 IonicContact NZ-OE2 3.94Å; K69-E130 PolarHBondContact NZ-OE2 3.27Å; K69-E130 PolarHBondContact O-N 3.25Å; E130-I132 HydrophobicContact CG-CG1 3.99Å; E130-E138 CarbonylContact C-O 3.54Å; E130-E138 WeakPolarHBondContact CA-O 3.26Å; E130-N139 HydrophobicContact CB-CB 4.24Å
131	L	93.4	Very high	89.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123	168.1	178.9	145.9	0	0	0	108.8	Y35 L36 L59 P63 Y66 K67 I68 N133 D137 E138	Y35-L131 HydrophobicContact CD2-CD2 4.07Å; Y35-L131 HydrophobicContact CG-CD2 4.09Å; L36-L131 HydrophobicContact CD1-CB 4.18Å; L36-L131 HydrophobicContact CD2-CB 4.34Å; L36-L131 HydrophobicContact CG-CB 4.18Å; L59-L131 HydrophobicContact CD2-CD1 3.28Å; P63-L131 HydrophobicContact CG-CD1 4.31Å; P63-L131 HydrophobicContact CG-CD2 4.3Å; Y66-L131 HydrophobicContact CD2-CD1 4.12Å; K67-L131 WeakPolarHBondContact O-CA 3.09Å; I68-L131 HydrophobicContact CD1-CB 3.95Å; I68-L131 HydrophobicContact CD1-CD1 4Å; I68-L131 HydrophobicContact CD1-CG 4.14Å; L131-N133 HydrophobicContact CD2-CB 3.79Å; L131-D137 WeakPolarHBondContact O-CA 3.48Å; L131-E138 PolarHBondContact N-O 3.49Å; L131-E138 PolarHBondContact O-N 3.28Å; L131-E138 VanDerWaalsContact O-N 3.1Å
132	I	91.4	Very high	89	Confident	49 Å²	49	43 Å²	43	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.6	-179.9	-56.2	170.1	0	0	0	108.1	Y66 K67 K69 E130 D137	Y66-I132 VanDerWaalsContact CA-O 3.31Å; Y66-I132 WeakPolarHBondContact CA-O 3.43Å; K67-I132 HydrophobicContact CB-CB 4.38Å; K67-I132 PolarHBondContact N-O 2.81Å; K67-I132 PolarHBondContact O-N 2.86Å; K69-I132 HydrophobicContact CB-CD1 4.13Å; K69-I132 HydrophobicContact CD-CD1 4.23Å; E130-I132 HydrophobicContact CG-CG1 3.99Å; I132-D137 WeakPolarHBondContact CA-OD1 3.38Å
133	N	87	Confident	89.1	Confident	39 Å²	39	43.3 Å²	43.3	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	85.1	177.6	179.5	31.8	0	0	0	110.7	Y35 P63 H65 L131 I135 E136	Y35-N133 PolarHBondContact OH-ND2 2.83Å; P63-N133 HydrophobicContact CB-CB 4.46Å; P63-N133 HydrophobicContact CG-CB 4.33Å; H65-N133 PolarHBondContact O-OD1 2.89Å; L131-N133 HydrophobicContact CD2-CB 3.79Å; N133-I135 PolarHBondContact O-N 2.7Å; N133-I135 VanDerWaalsContact O-N 3.1Å; N133-E136 PolarHBondContact N-O 3.29Å; N133-E136 PolarHBondContact O-N 2.03Å
134	G	81.1	Confident	89.1	Confident	71 Å²	71	43.2 Å²	43.2	73%	0.732	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	-104.7	-178.1	0	0	0	0	0	112
135	I	69.8	Low	89.2	Confident	172 Å²	172	44.4 Å²	44.4	88%	0.882	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-13.9	-179.5	-53.2	171.5	0	0	0	110.9	N133	N133-I135 PolarHBondContact O-N 2.7Å; N133-I135 VanDerWaalsContact O-N 3.1Å
136	E	69.6	Low	89.4	Confident	85 Å²	85	43.7 Å²	43.7	40%	0.397	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.9	179.3	-66.2	-178.9	168.2	0	0	110.2	Y35 N133	Y35-E136 WeakPolarHBondContact CE2-OE2 3.34Å; Y35-E136 PolarHBondContact OH-OE2 2.85Å; N133-E136 PolarHBondContact N-O 3.29Å; N133-E136 PolarHBondContact O-N 2.03Å
137	D	79.8	Confident	89.6	Confident	74 Å²	74	40.1 Å²	40.1	40%	0.396	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.4	171.3	-65.1	-24	0	0	0	110.2	L131 I132	L131-D137 WeakPolarHBondContact O-CA 3.48Å; I132-D137 WeakPolarHBondContact CA-OD1 3.38Å
138	E	90.3	Very high	89.8	Confident	9 Å²	9	41 Å²	41	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.6	169.4	-74.5	-171.6	-177.3	0	0	109.5	L33 Q34 Y35 L36 E130 L131	L33-E138 HydrophobicContact CD2-CB 4.14Å; L33-E138 HydrophobicContact CD2-CG 4.15Å; Q34-E138 WeakPolarHBondContact CA-OE1 3.37Å; Q34-E138 WeakPolarHBondContact CB-OE1 3.39Å; Q34-E138 VanDerWaalsContact N-CD 3.3Å; Q34-E138 PolarHBondContact N-OE1 3.23Å; Q34-E138 PolarHBondContact N-OE2 3.01Å; Y35-E138 WeakPolarHBondContact CA-OE2 3.41Å; Y35-E138 HydrophobicContact CD2-CG 4.26Å; Y35-E138 PolarHBondContact N-OE1 3.03Å; Y35-E138 PolarHBondContact N-OE2 3.35Å; L36-E138 HydrophobicContact CD1-CB 3.99Å; L36-E138 WeakPolarHBondContact CD1-O 3.47Å; L36-E138 HydrophobicContact CG-CB 4.36Å; L36-E138 PolarHBondContact N-OE2 2.94Å; E130-E138 CarbonylContact C-O 3.54Å; E130-E138 WeakPolarHBondContact CA-O 3.26Å; L131-E138 PolarHBondContact N-O 3.49Å; L131-E138 PolarHBondContact O-N 3.28Å; L131-E138 VanDerWaalsContact O-N 3.1Å
139	N	91.5	Very high	90	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.6	176	65.3	77.9	0	0	0	112.5	Q128 C129 E130	Q128-N139 HydrophobicContact CG-CB 3.8Å; C129-N139 CarbonylContact O-C 3.59Å; C129-N139 WeakPolarHBondContact O-CA 3.32Å; C129-N139 WeakPolarHBondContact O-CB 3.46Å; E130-N139 HydrophobicContact CB-CB 4.24Å
140	I	92	Very high	90.2	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.4	167.9	59.5	168.7	0	0	0	108.5	L33 L36 P39 C57 Q128 C129 I142	L33-I140 HydrophobicContact CD1-CG2 3.54Å; L36-I140 HydrophobicContact CB-CG2 4.3Å; L36-I140 HydrophobicContact CD1-CG2 4.3Å; P39-I140 HydrophobicContact CG-CD1 4.38Å; C57-I140 HydrophobicContact CB-CD1 4.17Å; Q128-I140 WeakPolarHBondContact CA-O 3.49Å; C129-I140 HydrophobicContact CB-CD1 4.44Å; C129-I140 HydrophobicContact CB-CG1 3.84Å; C129-I140 PolarHBondContact N-O 2.96Å; C129-I140 PolarHBondContact O-N 3.28Å; I140-I142 HydrophobicContact CD1-CD1 3.84Å; I140-I142 HydrophobicContact CG1-CD1 3.85Å
141	V	91.9	Very high	90.4	Very high	45 Å²	45	39.3 Å²	39.3	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.4	177.3	-177.5	0	0	0	0	109.8	L73 R126 Y127 Q128	L73-V141 HydrophobicContact CD1-CG1 3.91Å; L73-V141 HydrophobicContact CD1-CG2 4Å; R126-V141 HydrophobicContact CB-CG1 3.94Å; R126-V141 HydrophobicContact CG-CG1 4.43Å; Y127-V141 CarbonylContact O-C 3.21Å; Y127-V141 WeakPolarHBondContact O-CA 3.36Å; Q128-V141 HydrophobicContact CB-CG2 4.35Å; Q128-V141 HydrophobicContact CG-CG2 4.39Å
142	I	93.3	Very high	90.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138	177.5	-59.5	81.7	0	0	0	107.6	V43 V45 L55 P56 W70 R126 Y127 I140	V43-I142 HydrophobicContact CB-CG1 4.48Å; V43-I142 HydrophobicContact CB-CG2 4.14Å; V43-I142 HydrophobicContact CG1-CG2 3.94Å; V45-I142 HydrophobicContact CG2-CG2 3.88Å; L55-I142 HydrophobicContact CB-CG2 4.28Å; L55-I142 HydrophobicContact CD2-CG2 4.03Å; P56-I142 HydrophobicContact CG-CG1 4.48Å; P56-I142 WeakPolarHBondContact O-CD1 3.35Å; W70-I142 HydrophobicContact CH2-CD1 3.67Å; W70-I142 HydrophobicContact CH2-CG1 4.48Å; W70-I142 HydrophobicContact CZ3-CD1 3.92Å; R126-I142 CarbonylContact C-O 3.55Å; R126-I142 WeakPolarHBondContact CA-O 3.47Å; Y127-I142 PolarHBondContact N-O 2.79Å; Y127-I142 PolarHBondContact O-N 3.17Å; I140-I142 HydrophobicContact CD1-CD1 3.84Å; I140-I142 HydrophobicContact CG1-CD1 3.85Å
143	T	93	Very high	91	Very high	48 Å²	48	38.1 Å²	38.1	29%	0.294	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.1	171	-56.6	0	0	0	0	108.5	V43 E44 V45	V43-T143 PolarHBondContact O-N 2.96Å; E44-T143 CarbonylContact C-O 3.44Å; E44-T143 WeakPolarHBondContact CA-O 3.22Å; E44-T143 HydrophobicContact CG-CG2 4.44Å; V45-T143 PolarHBondContact N-O 2.86Å
144	L	94.9	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.9	166.6	175.5	56.7	0	0	0	108.8	V45 V53 L55 L116 L119 D123 G125 Y127	V45-L144 HydrophobicContact CB-CD1 4.49Å; V45-L144 HydrophobicContact CG1-CD1 4.5Å; V45-L144 WeakPolarHBondContact O-CA 3.48Å; V45-L144 WeakPolarHBondContact O-CD1 3.39Å; V53-L144 HydrophobicContact CG2-CD1 3.91Å; V53-L144 HydrophobicContact CG2-CD2 4.36Å; L55-L144 HydrophobicContact CD2-CB 4.14Å; L55-L144 HydrophobicContact CD2-CD1 4.28Å; L116-L144 HydrophobicContact CD2-CD2 3.98Å; L119-L144 HydrophobicContact CD1-CD1 4.29Å; L119-L144 HydrophobicContact CD2-CD2 3.79Å; D123-L144 HydrophobicContact CB-CD2 4.15Å; D123-L144 WeakPolarHBondContact O-CD2 3.41Å; G125-L144 PolarHBondContact N-O 3.01Å; G125-L144 PolarHBondContact O-N 3.31Å; Y127-L144 HydrophobicContact CD2-CB 3.84Å; Y127-L144 HydrophobicContact CE2-CB 3.63Å; Y127-L144 HydrophobicContact CE2-CD2 3.93Å; Y127-L144 HydrophobicContact CE2-CG 4.37Å
145	R	95	Very high	92.2	Very high	55 Å²	55	36.1 Å²	36.1	21%	0.208	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.8	176.4	-179.3	-173.4	73.4	-170.7	12.8	109.7	E44 V45 A46 G47 D124 E147 R186	E44-R145 HydrophobicContact CG-CB 3.96Å; E44-R145 IonicContact OE1-CZ 3.52Å; E44-R145 IonicContact OE1-NE 3.63Å; E44-R145 IonicContact OE1-NH1 2.8Å; E44-R145 PolarHBondContact OE1-NH1 3Å; V45-R145 PolarHBondContact O-N 3.18Å; A46-R145 WeakPolarHBondContact CA-O 3.5Å; A46-R145 VanDerWaalsContact CB-NH2 3.31Å; G47-R145 PolarHBondContact N-O 3.41Å; D124-R145 WeakPolarHBondContact OD2-CA 3.09Å; R145-E147 IonicContact NH2-OE1 3.85Å; R145-E147 PolarHBondContact NH2-OE1 3.38Å; R145-R186 VanDerWaalsContact CD-CZ 3.43Å; R145-R186 VanDerWaalsContact CD-NH2 3.3Å
146	I	96.5	Very high	93.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.6	166.8	-56.2	-57.8	0	0	0	108.4	G47 L119 L121 D123 D124 G148 F242	G47-I146 CarbonylContact O-C 3.48Å; G47-I146 WeakPolarHBondContact O-CA 3.42Å; L119-I146 HydrophobicContact CB-CD1 4.01Å; L119-I146 HydrophobicContact CD1-CD1 3.7Å; L119-I146 HydrophobicContact CD2-CD1 4.38Å; L119-I146 HydrophobicContact CG-CD1 4.26Å; L121-I146 HydrophobicContact CD2-CG2 4.37Å; D123-I146 HydrophobicContact CB-CD1 4.39Å; D124-I146 HydrophobicContact CB-CB 4.29Å; D124-I146 HydrophobicContact CB-CG1 3.86Å; D124-I146 PolarHBondContact OD2-N 3.46Å; I146-G148 PolarHBondContact O-N 2.83Å; I146-F242 HydrophobicContact CB-CE1 4.3Å; I146-F242 HydrophobicContact CB-CZ 4.29Å; I146-F242 HydrophobicContact CG2-CE1 4.05Å; I146-F242 HydrophobicContact CG2-CZ 4.13Å; I146-F242 WeakPolarHBondContact O-CZ 3.27Å
147	E	96.7	Very high	94.6	Very high	56 Å²	56	35.1 Å²	35.1	26%	0.262	18%	0.18	S	C	.	.			trans	-69.4	130.4	172.4	-61.2	-167.7	152.3	0	0	109.5	A46 G47 R48 R145 S244	A46-E147 HydrophobicContact CB-CG 4.2Å; G47-E147 PolarHBondContact O-N 3.32Å; R48-E147 HydrophobicContact CG-CB 4.04Å; R48-E147 IonicContact CZ-OE2 2.92Å; R48-E147 IonicContact NE-OE2 2.85Å; R48-E147 PolarHBondContact NE-OE2 3.27Å; R48-E147 IonicContact NH2-OE2 2.76Å; R145-E147 IonicContact NH2-OE1 3.85Å; R145-E147 PolarHBondContact NH2-OE1 3.38Å; E147-S244 VanDerWaalsContact O-CB 3.32Å; E147-S244 WeakPolarHBondContact O-CB 3.49Å; E147-S244 PolarHBondContact O-OG 3.15Å
148	G	97.1	Very high	95.3	Very high	20 Å²	20	32.8 Å²	32.8	21%	0.206	17%	0.174	C	C	.	.			trans	-167.7	-168.5	-173.6	0	0	0	0	0	113.4	I146 F242 T243	I146-G148 PolarHBondContact O-N 2.83Å; G148-F242 VanDerWaalsContact CA-CE2 3.41Å; G148-T243 CarbonylContact C-O 3.48Å; G148-T243 WeakPolarHBondContact CA-O 3.3Å
149	V	98	Very high	95.6	Very high	12 Å²	12	38.8 Å²	38.8	7%	0.073	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.6	179.2	59.5	0	0	0	0	109.4	F242 T243 Y280 W283 R284	V149-F242 WeakPolarHBondContact O-CA 3.4Å; V149-T243 HydrophobicContact CG1-CG2 3.68Å; V149-T243 PolarHBondContact N-O 2.61Å; V149-T243 PolarHBondContact O-N 2.83Å; V149-Y280 HydrophobicContact CG2-CD1 4.21Å; V149-W283 HydrophobicContact CG2-CE3 4.4Å; V149-W283 HydrophobicContact CG2-CZ3 3.95Å; V149-R284 HydrophobicContact CB-CB 4.13Å; V149-R284 HydrophobicContact CB-CG 4.13Å; V149-R284 HydrophobicContact CG1-CB 4.32Å; V149-R284 HydrophobicContact CG2-CB 4.39Å
150	V	98.7	Very high	95.9	Very high	8 Å²	8	38 Å²	38	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.9	170.6	177	0	0	0	0	109.2	A179 Q183 L184 A187 L192 F240 C241 F242	V150-A179 HydrophobicContact CG1-CB 4.1Å; V150-A179 HydrophobicContact CG2-CB 3.86Å; V150-Q183 HydrophobicContact CG2-CB 3.87Å; V150-L184 HydrophobicContact CG1-CD1 4.1Å; V150-A187 HydrophobicContact CB-CB 3.67Å; V150-A187 HydrophobicContact CG1-CB 4.45Å; V150-A187 HydrophobicContact CG2-CB 3.98Å; V150-L192 HydrophobicContact CB-CD2 4.46Å; V150-L192 HydrophobicContact CG1-CD2 4.07Å; V150-F240 HydrophobicContact CG1-CB 4.02Å; V150-F240 HydrophobicContact CG1-CD1 4.05Å; V150-F240 HydrophobicContact CG1-CG 4.46Å; V150-C241 CarbonylContact C-O 3.47Å; V150-C241 VanDerWaalsContact CA-O 3.23Å; V150-C241 WeakPolarHBondContact CA-O 3.06Å; V150-F242 HydrophobicContact CG2-CD2 4.03Å
151	F	98.4	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.3	174.8	62.3	-87.5	0	0	0	112.2	Y153 Q174 C241 T243 V276 Y280	F151-Y153 HydrophobicContact CE2-CD2 4.24Å; F151-Q174 HydrophobicContact CE2-CB 4.43Å; F151-Q174 HydrophobicContact CZ-CB 4.22Å; F151-C241 HydrophobicContact CD1-CB 4.11Å; F151-C241 HydrophobicContact CD2-CB 3.96Å; F151-C241 HydrophobicContact CE1-CB 3.63Å; F151-C241 HydrophobicContact CE2-CB 3.47Å; F151-C241 VanDerWaalsContact CE2-CB 3.47Å; F151-C241 HydrophobicContact CG-CB 4.26Å; F151-C241 HydrophobicContact CZ-CB 3.3Å; F151-C241 PolarHBondContact N-O 3.13Å; F151-C241 PolarHBondContact O-N 2.82Å; F151-T243 HydrophobicContact CD1-CG2 4.25Å; F151-T243 HydrophobicContact CE1-CG2 3.87Å; F151-V276 HydrophobicContact CD2-CG1 3.77Å; F151-V276 HydrophobicContact CE2-CB 4.33Å; F151-V276 HydrophobicContact CE2-CG1 3.66Å; F151-V276 HydrophobicContact CZ-CG1 4.47Å; F151-Y280 HydrophobicContact CB-CD1 3.52Å; F151-Y280 HydrophobicContact CB-CD2 3.59Å; F151-Y280 HydrophobicContact CB-CE1 3.38Å; F151-Y280 HydrophobicContact CB-CE2 3.47Å; F151-Y280 VanDerWaalsContact CB-CE2 3.47Å; F151-Y280 HydrophobicContact CB-CG 3.61Å; F151-Y280 HydrophobicContact CD1-CD2 4.28Å; F151-Y280 HydrophobicContact CD1-CG 4.2Å; F151-Y280 HydrophobicContact CD2-CD2 4.14Å; F151-Y280 HydrophobicContact CD2-CE2 4.12Å; F151-Y280 HydrophobicContact CG-CD1 4.39Å; F151-Y280 AromaticContact CG-CD2 3.78Å; F151-Y280 HydrophobicContact CG-CD2 3.78Å; F151-Y280 AromaticContact CG-CE2 3.96Å; F151-Y280 HydrophobicContact CG-CE2 3.96Å; F151-Y280 AromaticContact CG-CG 4Å; F151-Y280 HydrophobicContact CG-CG 4Å
152	P	98	Very high	96.5	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	139.2	171.8	29.6	-32.8	0	0	0	110.4	W194 F240	P152-W194 HydrophobicContact CB-CD2 3.62Å; P152-W194 HydrophobicContact CB-CE3 4.23Å; P152-W194 HydrophobicContact CB-CG 3.9Å; P152-W194 HydrophobicContact CB-CH2 4.34Å; P152-W194 HydrophobicContact CB-CZ2 3.77Å; P152-W194 HydrophobicContact CG-CD2 3.59Å; P152-W194 HydrophobicContact CG-CE3 3.65Å; P152-W194 HydrophobicContact CG-CG 4.2Å; P152-W194 HydrophobicContact CG-CH2 3.88Å; P152-W194 HydrophobicContact CG-CZ2 3.83Å; P152-W194 HydrophobicContact CG-CZ3 3.79Å; P152-F240 HydrophobicContact CB-CD1 4.34Å; P152-F240 HydrophobicContact CB-CE1 4.04Å
153	Y	98.4	Very high	96.7	Very high	18 Å²	18	42.3 Å²	42.3	7%	0.071	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128	178.3	-166.6	-101.4	0	0	0	110.9	F151 F162 A170 Q174 A239 V276	F151-Y153 HydrophobicContact CE2-CD2 4.24Å; Y153-F162 AromaticContact CD1-CE2 3.85Å; Y153-F162 HydrophobicContact CD1-CE2 3.85Å; Y153-F162 HydrophobicContact CD1-CZ 4.15Å; Y153-F162 HydrophobicContact CE1-CE2 4.1Å; Y153-F162 AromaticContact CE1-CZ 3.91Å; Y153-F162 HydrophobicContact CE1-CZ 3.91Å; Y153-A170 HydrophobicContact CD1-CB 4Å; Y153-A170 HydrophobicContact CE1-CB 3.76Å; Y153-Q174 HydrophobicContact CD2-CG 4.15Å; Y153-Q174 HydrophobicContact CE1-CG 4.47Å; Y153-Q174 HydrophobicContact CE2-CG 3.53Å; Y153-Q174 PolarHBondContact OH-NE2 3.43Å; Y153-A239 PolarHBondContact N-O 2.82Å; Y153-A239 PolarHBondContact O-N 3.01Å; Y153-V276 HydrophobicContact CD2-CG1 4.4Å; Y153-V276 HydrophobicContact CE2-CB 4.44Å; Y153-V276 HydrophobicContact CE2-CG2 4.06Å
154	Q	96.5	Very high	97	Very high	58 Å²	58	40.5 Å²	40.5	27%	0.271	19%	0.192	S	C	.	.			trans	-123	147.5	-176.9	-173.2	-170.9	-53.9	0	0	109.1	G158 F325	Q154-G158 WeakPolarHBondContact CG-O 3.43Å; Q154-F325 WeakPolarHBondContact O-CE2 3.33Å
155	S	96.6	Very high	97.2	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.063	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-63.3	146.9	175	-170.9	0	0	0	0	112.7	H157 G158 F162	S155-H157 PolarHBondContact O-N 2.91Å; S155-H157 PolarHBondContact OG-N 3.06Å; S155-H157 PolarHBondContact OG-ND1 2.87Å; S155-G158 PolarHBondContact O-N 2.82Å; S155-F162 VanDerWaalsContact N-CE2 3.31Å
156	Q	95.4	Very high	97.3	Very high	101 Å²	101	45.8 Å²	45.8	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.8	167.8	70.2	179.4	6.9	0	0	112.9	G158 F325	Q156-G158 VanDerWaalsContact C-N 3.26Å; Q156-G158 PolarHBondContact O-N 3.06Å; Q156-F325 HydrophobicContact CB-CB 4.45Å; Q156-F325 HydrophobicContact CB-CD1 3.49Å; Q156-F325 VanDerWaalsContact CB-CD1 3.49Å; Q156-F325 HydrophobicContact CB-CD2 4.18Å; Q156-F325 HydrophobicContact CB-CE1 3.61Å; Q156-F325 HydrophobicContact CB-CE2 4.28Å; Q156-F325 HydrophobicContact CB-CG 3.79Å; Q156-F325 HydrophobicContact CB-CZ 4.01Å
157	H	95.3	Very high	97.4	Very high	136 Å²	136	45.7 Å²	45.7	63%	0.63	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	14.1	177.5	-51	111	0	0	0	113.2	S155 K161	S155-H157 PolarHBondContact O-N 2.91Å; S155-H157 PolarHBondContact OG-N 3.06Å; S155-H157 PolarHBondContact OG-ND1 2.87Å; H157-K161 HydrophobicContact CB-CG 4.45Å
158	G	94.3	Very high	97.5	Very high	25 Å²	25	47.2 Å²	47.2	26%	0.258	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	101.1	-169.8	176.4	0	0	0	0	0	114.1	Q154 S155 Q156 K161	Q154-G158 WeakPolarHBondContact CG-O 3.43Å; S155-G158 PolarHBondContact O-N 2.82Å; Q156-G158 VanDerWaalsContact C-N 3.26Å; Q156-G158 PolarHBondContact O-N 3.06Å; G158-K161 WeakPolarHBondContact O-CG 3.19Å
159	R	96	Very high	97.6	Very high	135 Å²	135	51.2 Å²	51.2	51%	0.509	24%	0.241	S	C	.	.	S	Bend	trans	-74.2	142.2	-173.3	-170	-178.3	67.6	154.8	0.8	111.8	N196	R159-N196 WeakPolarHBondContact CD-OD1 3.41Å
160	Y	97.3	Very high	97.6	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.204	24%	0.24	C	C	.	.	S	Bend	trans	58	61.2	173	-54.3	-27.6	0	0	0	113.2	N196 A197 R236 F237 D238	Y160-N196 HydrophobicContact CE1-CB 3.89Å; Y160-N196 WeakPolarHBondContact OH-CA 3.35Å; Y160-A197 HydrophobicContact CE1-CB 4.2Å; Y160-A197 WeakPolarHBondContact CE1-O 3.38Å; Y160-A197 PolarHBondContact OH-N 2.63Å; Y160-R236 WeakPolarHBondContact O-CB 3.43Å; Y160-F237 HydrophobicContact CD1-CB 4.48Å; Y160-F237 HydrophobicContact CD1-CD1 4.41Å; Y160-D238 HydrophobicContact CD1-CB 4.45Å; Y160-D238 PolarHBondContact N-OD1 2.68Å
161	K	98.1	Very high	97.6	Very high	105 Å²	105	50.5 Å²	50.5	46%	0.457	24%	0.237	S	C	.	.			trans	-120.3	-11.1	-175.4	-61.3	-61	177	-174.3	0	114.6	H157 G158 R236 F237	H157-K161 HydrophobicContact CB-CG 4.45Å; G158-K161 WeakPolarHBondContact O-CG 3.19Å; K161-R236 WeakPolarHBondContact O-CD 3.31Å; K161-F237 PolarHBondContact N-O 3.08Å
162	F	98.6	Very high	97.6	Very high	23 Å²	23	53.2 Å²	53.2	10%	0.101	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-95.7	130.5	179.2	-57.5	-53	0	0	0	111.2	Y153 S155 E166 A167 A170 W199 R236 F237	Y153-F162 AromaticContact CD1-CE2 3.85Å; Y153-F162 HydrophobicContact CD1-CE2 3.85Å; Y153-F162 HydrophobicContact CD1-CZ 4.15Å; Y153-F162 HydrophobicContact CE1-CE2 4.1Å; Y153-F162 AromaticContact CE1-CZ 3.91Å; Y153-F162 HydrophobicContact CE1-CZ 3.91Å; S155-F162 VanDerWaalsContact N-CE2 3.31Å; F162-E166 WeakPolarHBondContact CA-OE2 3.46Å; F162-E166 HydrophobicContact CB-CB 4.12Å; F162-E166 HydrophobicContact CD1-CB 4Å; F162-A167 HydrophobicContact CB-CB 3.89Å; F162-A170 HydrophobicContact CE1-CB 4.15Å; F162-A170 HydrophobicContact CE2-CB 4.27Å; F162-A170 HydrophobicContact CZ-CB 3.94Å; F162-W199 PolarHBondContact O-NE1 2.95Å; F162-R236 VanDerWaalsContact C-CD 3.45Å; F162-R236 CarbonylContact O-C 3.09Å; F162-R236 VanDerWaalsContact O-CA 3.28Å; F162-R236 WeakPolarHBondContact O-CA 3.18Å; F162-F237 PolarHBondContact N-O 3.08Å; F162-F237 PolarHBondContact O-N 3.42Å
163	N	98.6	Very high	97.6	Very high	18 Å²	18	58.4 Å²	58.4	10%	0.096	28%	0.284	C	S	.	.			trans	-71.3	177.3	153.5	72.5	44.5	0	0	0	110.2	H165 E166 A167 K232 D235 R236	N163-H165 PolarHBondContact O-N 2.91Å; N163-H165 PolarHBondContact OD1-N 3.45Å; N163-E166 VanDerWaalsContact CG-CD 3.47Å; N163-E166 PolarHBondContact N-OE2 2.94Å; N163-E166 WeakPolarHBondContact ND2-CG 2.93Å; N163-E166 PolarHBondContact ND2-OE1 2.79Å; N163-E166 VanDerWaalsContact ND2-OE1 3.13Å; N163-E166 PolarHBondContact ND2-OE2 2.75Å; N163-E166 PolarHBondContact O-N 2.88Å; N163-E166 WeakPolarHBondContact OD1-CG 3.16Å; N163-E166 PolarHBondContact OD1-N 2.93Å; N163-A167 VanDerWaalsContact O-CB 3.31Å; N163-A167 WeakPolarHBondContact O-CB 3.29Å; N163-A167 PolarHBondContact O-N 2.82Å; N163-K232 WeakPolarHBondContact CB-O 3.12Å; N163-D235 WeakPolarHBondContact CA-O 3.41Å; N163-R236 VanDerWaalsContact N-CD 3.29Å
164	F	98.6	Very high	97.6	Very high	11 Å²	11	57.9 Å²	57.9	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-45.8	-176.2	174.9	-96.1	0	0	0	112.5	A167 E168 L178 W199 G203 K232	F164-A167 WeakPolarHBondContact O-CB 3.32Å; F164-A167 PolarHBondContact O-N 3.16Å; F164-E168 PolarHBondContact O-N 3.47Å; F164-L178 HydrophobicContact CD2-CD1 4.06Å; F164-L178 HydrophobicContact CE2-CD1 3.56Å; F164-L178 HydrophobicContact CZ-CD1 3.97Å; F164-W199 HydrophobicContact CB-CD2 4.13Å; F164-W199 HydrophobicContact CB-CE3 4.13Å; F164-W199 HydrophobicContact CB-CH2 4.25Å; F164-W199 HydrophobicContact CB-CZ2 4.28Å; F164-W199 HydrophobicContact CB-CZ3 4.17Å; F164-W199 HydrophobicContact CD2-CD2 4.21Å; F164-W199 AromaticContact CD2-CE3 3.82Å; F164-W199 HydrophobicContact CD2-CE3 3.82Å; F164-W199 HydrophobicContact CD2-CZ3 4.35Å; F164-W199 HydrophobicContact CG-CE3 4.47Å; F164-G203 VanDerWaalsContact CE2-CA 3.45Å; F164-K232 HydrophobicContact CB-CB 3.7Å; F164-K232 HydrophobicContact CB-CG 3.82Å; F164-K232 WeakPolarHBondContact CB-O 3.5Å; F164-K232 HydrophobicContact CD1-CB 4.24Å; F164-K232 HydrophobicContact CD1-CD 3.73Å; F164-K232 HydrophobicContact CD1-CG 4Å; F164-K232 HydrophobicContact CD2-CG 4.4Å; F164-K232 HydrophobicContact CE1-CD 4.05Å; F164-K232 HydrophobicContact CG-CB 4.13Å; F164-K232 HydrophobicContact CG-CD 3.99Å; F164-K232 HydrophobicContact CG-CG 3.8Å; F164-K232 PolarHBondContact N-O 2.7Å; F164-K232 VanDerWaalsContact N-O 3.12Å
165	H	98.4	Very high	97.7	Very high	91 Å²	91	56.8 Å²	56.8	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-68.6	-37.8	-178.6	-59.3	-61.9	0	0	0	112.3	N163 A167 E168 L169	N163-H165 PolarHBondContact O-N 2.91Å; N163-H165 PolarHBondContact OD1-N 3.45Å; H165-A167 VanDerWaalsContact C-N 3.32Å; H165-E168 PolarHBondContact O-N 3.06Å; H165-L169 PolarHBondContact O-N 3.45Å
166	E	98.6	Very high	97.7	Very high	75 Å²	75	56.8 Å²	56.8	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-37.8	172.8	-70.4	165.3	174.9	0	0	111.1	F162 N163 A170 R236	F162-E166 WeakPolarHBondContact CA-OE2 3.46Å; F162-E166 HydrophobicContact CB-CB 4.12Å; F162-E166 HydrophobicContact CD1-CB 4Å; N163-E166 VanDerWaalsContact CG-CD 3.47Å; N163-E166 PolarHBondContact N-OE2 2.94Å; N163-E166 WeakPolarHBondContact ND2-CG 2.93Å; N163-E166 PolarHBondContact ND2-OE1 2.79Å; N163-E166 VanDerWaalsContact ND2-OE1 3.13Å; N163-E166 PolarHBondContact ND2-OE2 2.75Å; N163-E166 PolarHBondContact O-N 2.88Å; N163-E166 WeakPolarHBondContact OD1-CG 3.16Å; N163-E166 PolarHBondContact OD1-N 2.93Å; E166-A170 WeakPolarHBondContact O-CB 3.34Å; E166-A170 PolarHBondContact O-N 3.02Å; E166-R236 IonicContact OE1-NH2 2.97Å; E166-R236 IonicContact OE2-NE 2.8Å
167	A	98.7	Very high	97.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-40.7	176.7	0	0	0	0	0	111.9	F162 N163 F164 H165 A170 C171 L178 W199 A239	F162-A167 HydrophobicContact CB-CB 3.89Å; N163-A167 VanDerWaalsContact O-CB 3.31Å; N163-A167 WeakPolarHBondContact O-CB 3.29Å; N163-A167 PolarHBondContact O-N 2.82Å; F164-A167 WeakPolarHBondContact O-CB 3.32Å; F164-A167 PolarHBondContact O-N 3.16Å; H165-A167 VanDerWaalsContact C-N 3.32Å; A167-A170 PolarHBondContact O-N 3.12Å; A167-C171 PolarHBondContact O-N 3.05Å; A167-C171 PolarHBondContact O-SG 2.86Å; A167-C171 VanDerWaalsContact O-SG 3.37Å; A167-L178 HydrophobicContact CB-CD2 4.1Å; A167-W199 HydrophobicContact CB-CB 4.04Å; A167-W199 HydrophobicContact CB-CG 4.09Å; A167-A239 HydrophobicContact CB-CB 3.9Å
168	E	98.4	Very high	98	Very high	88 Å²	88	47.5 Å²	47.5	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-50.7	173.7	-176.4	175.3	-123.4	0	0	111.5	F164 H165 A170 C171 A172 L178	F164-E168 PolarHBondContact O-N 3.47Å; H165-E168 PolarHBondContact O-N 3.06Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.17Å; E168-C171 PolarHBondContact O-N 2.88Å; E168-A172 PolarHBondContact O-N 3.42Å; E168-L178 HydrophobicContact CB-CD1 3.96Å; E168-L178 HydrophobicContact CB-CG 4.43Å
169	L	98.5	Very high	98.2	Very high	104 Å²	104	46.3 Å²	46.3	55%	0.545	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-43.6	176.6	-179.4	62	0	0	0	111.7	H165 C171 A172 E173	H165-L169 PolarHBondContact O-N 3.45Å; L169-C171 VanDerWaalsContact C-N 3.32Å; L169-C171 PolarHBondContact O-N 3.29Å; L169-A172 WeakPolarHBondContact O-CB 3.36Å; L169-A172 PolarHBondContact O-N 3.46Å; L169-A172 VanDerWaalsContact O-N 3.12Å; L169-E173 HydrophobicContact CD1-CG 4.34Å; L169-E173 HydrophobicContact CG-CG 4.43Å; L169-E173 WeakPolarHBondContact O-CG 3.45Å; L169-E173 PolarHBondContact O-N 3.38Å
170	A	98.6	Very high	98.2	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-40.9	178.3	0	0	0	0	0	112.3	Y153 F162 E166 A167 E168 Q174	Y153-A170 HydrophobicContact CD1-CB 4Å; Y153-A170 HydrophobicContact CE1-CB 3.76Å; F162-A170 HydrophobicContact CE1-CB 4.15Å; F162-A170 HydrophobicContact CE2-CB 4.27Å; F162-A170 HydrophobicContact CZ-CB 3.94Å; E166-A170 WeakPolarHBondContact O-CB 3.34Å; E166-A170 PolarHBondContact O-N 3.02Å; A167-A170 PolarHBondContact O-N 3.12Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.17Å; A170-Q174 WeakPolarHBondContact O-CG 3.49Å; A170-Q174 PolarHBondContact O-N 3.29Å
171	C	98.8	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-42.5	173.6	-67.2	0	0	0	0	111.9	A167 E168 L169 E173 Q174 G176 C241	A167-C171 PolarHBondContact O-N 3.05Å; A167-C171 PolarHBondContact O-SG 2.86Å; A167-C171 VanDerWaalsContact O-SG 3.37Å; E168-C171 PolarHBondContact O-N 2.88Å; L169-C171 VanDerWaalsContact C-N 3.32Å; L169-C171 PolarHBondContact O-N 3.29Å; C171-E173 PolarHBondContact O-N 3.02Å; C171-Q174 CarbonylContact O-C 3.42Å; C171-Q174 PolarHBondContact O-N 2.95Å; C171-G176 CarbonylContact C-O 3.54Å; C171-G176 VanDerWaalsContact C-O 3.3Å; C171-G176 CarbonylContact O-C 3.55Å; C171-G176 WeakPolarHBondContact O-CA 3.39Å; C171-G176 PolarHBondContact O-N 2.96Å; C171-C241 WeakPolarHBondContact CA-SG 3.31Å; C171-C241 HydrophobicContact CB-CB 3.73Å; C171-C241 WeakPolarHBondContact CB-SG 3.47Å; C171-C241 WeakPolarHBondContact SG-CA 3.48Å; C171-C241 WeakPolarHBondContact SG-CB 3.44Å; C171-C241 CovalentContact SG-SG 2.04Å; C171-C241 PolarHBondContact SG-SG 3.45Å
172	A	98.5	Very high	98.1	Very high	58 Å²	58	41.6 Å²	41.6	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-43.2	177.4	0	0	0	0	0	112.5	E168 L169 Q174 D175 G176	E168-A172 PolarHBondContact O-N 3.42Å; L169-A172 WeakPolarHBondContact O-CB 3.36Å; L169-A172 PolarHBondContact O-N 3.46Å; L169-A172 VanDerWaalsContact O-N 3.12Å; A172-Q174 PolarHBondContact O-N 3.44Å; A172-Q174 VanDerWaalsContact O-N 3.16Å; A172-D175 PolarHBondContact O-N 2.83Å; A172-D175 VanDerWaalsContact O-N 3.08Å; A172-G176 WeakPolarHBondContact CA-O 3.4Å; A172-G176 PolarHBondContact N-O 2.99Å
173	E	98.4	Very high	98	Very high	114 Å²	114	40.9 Å²	40.9	53%	0.533	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-20.8	176.2	-73.5	-178	166.4	0	0	113.5	L169 C171 L275	L169-E173 HydrophobicContact CD1-CG 4.34Å; L169-E173 HydrophobicContact CG-CG 4.43Å; L169-E173 WeakPolarHBondContact O-CG 3.45Å; L169-E173 PolarHBondContact O-N 3.38Å; C171-E173 PolarHBondContact O-N 3.02Å; E173-L275 WeakPolarHBondContact O-CD2 3.24Å
174	Q	98.4	Very high	98	Very high	8 Å²	8	40 Å²	40	4%	0.037	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18.8	177	-58.8	-49.4	-52.3	0	0	113.7	F151 Y153 A170 C171 A172 V276 G277	F151-Q174 HydrophobicContact CE2-CB 4.43Å; F151-Q174 HydrophobicContact CZ-CB 4.22Å; Y153-Q174 HydrophobicContact CD2-CG 4.15Å; Y153-Q174 HydrophobicContact CE1-CG 4.47Å; Y153-Q174 HydrophobicContact CE2-CG 3.53Å; Y153-Q174 PolarHBondContact OH-NE2 3.43Å; A170-Q174 WeakPolarHBondContact O-CG 3.49Å; A170-Q174 PolarHBondContact O-N 3.29Å; C171-Q174 CarbonylContact O-C 3.42Å; C171-Q174 PolarHBondContact O-N 2.95Å; A172-Q174 PolarHBondContact O-N 3.44Å; A172-Q174 VanDerWaalsContact O-N 3.16Å; Q174-V276 HydrophobicContact CB-CB 4.27Å; Q174-V276 HydrophobicContact CG-CB 4.2Å; Q174-V276 HydrophobicContact CG-CG2 4.5Å; Q174-G277 WeakPolarHBondContact O-CA 3.35Å; Q174-G277 PolarHBondContact O-N 2.88Å; Q174-G277 VanDerWaalsContact O-N 3.08Å
175	D	97.7	Very high	98	Very high	34 Å²	34	45 Å²	45	18%	0.182	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	46.9	-174.1	-167.5	58.9	0	0	0	112.9	R49 A172 T243 I246 L275	R49-D175 IonicContact CZ-OD1 3.58Å; R49-D175 IonicContact NH1-OD1 3.75Å; R49-D175 PolarHBondContact NH1-OD1 3.45Å; R49-D175 IonicContact NH1-OD2 2.86Å; R49-D175 PolarHBondContact NH1-OD2 3.31Å; R49-D175 IonicContact NH2-OD1 3.77Å; A172-D175 PolarHBondContact O-N 2.83Å; A172-D175 VanDerWaalsContact O-N 3.08Å; D175-T243 VanDerWaalsContact O-CB 3.3Å; D175-T243 WeakPolarHBondContact O-CB 3.45Å; D175-T243 PolarHBondContact O-OG1 3.06Å; D175-I246 HydrophobicContact CB-CD1 4.44Å; D175-I246 WeakPolarHBondContact OD2-CD1 3.44Å; D175-I246 WeakPolarHBondContact OD2-CG1 3.29Å; D175-L275 HydrophobicContact CB-CD1 3.8Å
176	G	97.6	Very high	97.9	Very high	9 Å²	9	44.2 Å²	44.2	9%	0.093	22%	0.223	C	C	.	.			trans	-143.7	-173.4	174.6	0	0	0	0	0	112.5	C171 A172 F242	C171-G176 CarbonylContact C-O 3.54Å; C171-G176 VanDerWaalsContact C-O 3.3Å; C171-G176 CarbonylContact O-C 3.55Å; C171-G176 WeakPolarHBondContact O-CA 3.39Å; C171-G176 PolarHBondContact O-N 2.96Å; A172-G176 WeakPolarHBondContact CA-O 3.4Å; A172-G176 PolarHBondContact N-O 2.99Å; G176-F242 CarbonylContact C-O 3.49Å; G176-F242 WeakPolarHBondContact CA-O 3.16Å
177	M	97.8	Very high	97.8	Very high	40 Å²	40	41.3 Å²	41.3	20%	0.197	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	169.4	168.9	60.8	-179.9	-71.3	0	0	108.7	L121 A179 H201 C241 F242	L121-M177 HydrophobicContact CB-CG 4.06Å; L121-M177 HydrophobicContact CB-SD 3.49Å; L121-M177 WeakPolarHBondContact CB-SD 3.27Å; L121-M177 HydrophobicContact CD1-CG 4.31Å; M177-A179 PolarHBondContact O-N 2.94Å; M177-H201 WeakPolarHBondContact CE-CD2 3.05Å; M177-C241 CarbonylContact O-C 3.54Å; M177-C241 VanDerWaalsContact O-CA 3.26Å; M177-C241 WeakPolarHBondContact O-CA 3.44Å; M177-F242 HydrophobicContact CG-CD1 4.41Å; M177-F242 PolarHBondContact N-O 2.86Å; M177-F242 PolarHBondContact O-N 3.43Å
178	L	98.4	Very high	97.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	134.2	169.2	-72.1	170.7	0	0	0	109.7	F164 A167 E168 W199 H201 A239	F164-L178 HydrophobicContact CD2-CD1 4.06Å; F164-L178 HydrophobicContact CE2-CD1 3.56Å; F164-L178 HydrophobicContact CZ-CD1 3.97Å; A167-L178 HydrophobicContact CB-CD2 4.1Å; E168-L178 HydrophobicContact CB-CD1 3.96Å; E168-L178 HydrophobicContact CB-CG 4.43Å; L178-W199 HydrophobicContact CD2-CB 4.16Å; L178-H201 HydrophobicContact CB-CB 4.19Å; L178-A239 HydrophobicContact CD2-CB 4.04Å
179	A	98.4	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-67.1	147	179.3	0	0	0	0	0	110.5	V150 M177 Q183 I200 H201 F240 F242	V150-A179 HydrophobicContact CG1-CB 4.1Å; V150-A179 HydrophobicContact CG2-CB 3.86Å; M177-A179 PolarHBondContact O-N 2.94Å; A179-Q183 HydrophobicContact CB-CB 4.37Å; A179-I200 WeakPolarHBondContact O-CA 3.31Å; A179-I200 VanDerWaalsContact O-CB 3.23Å; A179-I200 WeakPolarHBondContact O-CB 3.3Å; A179-H201 WeakPolarHBondContact O-CB 3.35Å; A179-H201 PolarHBondContact O-N 2.62Å; A179-F240 HydrophobicContact CB-CB 4.33Å; A179-F240 WeakPolarHBondContact CB-O 3.23Å; A179-F240 PolarHBondContact N-O 2.93Å; A179-F242 HydrophobicContact CB-CB 3.92Å
180	S	96.7	Very high	97.5	Very high	28 Å²	28	43.5 Å²	43.5	20%	0.196	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-76.7	164	165.4	72	0	0	0	0	110.9	S182 Q183 L184	S180-S182 VanDerWaalsContact C-N 3.27Å; S180-S182 PolarHBondContact O-N 3.08Å; S180-S182 PolarHBondContact OG-OG 2.86Å; S180-Q183 PolarHBondContact O-N 2.85Å; S180-Q183 VanDerWaalsContact OG-CG 3.28Å; S180-Q183 WeakPolarHBondContact OG-CG 3.45Å; S180-Q183 PolarHBondContact OG-N 3.48Å; S180-L184 PolarHBondContact O-N 3.47Å
181	Y	96.4	Very high	97.3	Very high	105 Å²	105	45.3 Å²	45.3	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-59.4	-39	174.1	-177.3	-92	0	0	0	112.1	Q183 L184 Y185 I200 H206 I224	Y181-Q183 VanDerWaalsContact C-N 3.34Å; Y181-Q183 PolarHBondContact O-N 3.45Å; Y181-L184 PolarHBondContact O-N 2.9Å; Y181-Y185 WeakPolarHBondContact O-CB 3.49Å; Y181-Y185 PolarHBondContact O-N 3.39Å; Y181-I200 HydrophobicContact CD2-CD1 4.28Å; Y181-H206 AromaticContact CD2-CE1 3.69Å; Y181-H206 AromaticContact CE2-CE1 3.68Å; Y181-H206 AromaticContact CE2-ND1 3.79Å; Y181-I224 HydrophobicContact CE2-CD1 4.44Å; Y181-I224 HydrophobicContact CE2-CG2 4.08Å
182	S	95.1	Very high	97.1	Very high	61 Å²	61	46.8 Å²	46.8	43%	0.427	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-37.7	178.5	59	0	0	0	0	112.2	S180 R186	S180-S182 VanDerWaalsContact C-N 3.27Å; S180-S182 PolarHBondContact O-N 3.08Å; S180-S182 PolarHBondContact OG-OG 2.86Å; S182-R186 PolarHBondContact O-N 3.44Å
183	Q	97.7	Very high	96.9	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-44.2	173.5	-70.6	165.4	-7.9	0	0	111.5	V150 A179 S180 Y181 R186 A187 F242	V150-Q183 HydrophobicContact CG2-CB 3.87Å; A179-Q183 HydrophobicContact CB-CB 4.37Å; S180-Q183 PolarHBondContact O-N 2.85Å; S180-Q183 VanDerWaalsContact OG-CG 3.28Å; S180-Q183 WeakPolarHBondContact OG-CG 3.45Å; S180-Q183 PolarHBondContact OG-N 3.48Å; Y181-Q183 VanDerWaalsContact C-N 3.34Å; Y181-Q183 PolarHBondContact O-N 3.45Å; Q183-R186 PolarHBondContact O-N 2.93Å; Q183-A187 PolarHBondContact O-N 3.3Å; Q183-F242 HydrophobicContact CB-CD2 4.09Å; Q183-F242 HydrophobicContact CB-CE2 4.41Å; Q183-F242 HydrophobicContact CG-CD2 3.91Å; Q183-F242 HydrophobicContact CG-CE2 3.87Å; Q183-F242 HydrophobicContact CG-CG 4.42Å; Q183-F242 HydrophobicContact CG-CZ 4.38Å; Q183-F242 VanDerWaalsContact OE1-CG 3.26Å
184	L	98.4	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-42.7	176.5	-177.4	63.8	0	0	0	111.9	V150 S180 Y181 R186 A187 W188 L192 I200 H206 P208 I224 F240	V150-L184 HydrophobicContact CG1-CD1 4.1Å; S180-L184 PolarHBondContact O-N 3.47Å; Y181-L184 PolarHBondContact O-N 2.9Å; L184-R186 PolarHBondContact O-N 3.41Å; L184-A187 PolarHBondContact O-N 2.97Å; L184-W188 PolarHBondContact O-N 3.37Å; L184-L192 HydrophobicContact CD1-CD2 4Å; L184-I200 HydrophobicContact CD2-CG2 4.05Å; L184-H206 HydrophobicContact CD2-CB 3.73Å; L184-P208 HydrophobicContact CD1-CG 4.07Å; L184-I224 HydrophobicContact CD2-CD1 4.35Å; L184-I224 HydrophobicContact CD2-CG2 4.2Å; L184-I224 HydrophobicContact CG-CD1 3.99Å; L184-F240 HydrophobicContact CD1-CB 4.42Å; L184-F240 HydrophobicContact CD1-CD1 3.85Å; L184-F240 HydrophobicContact CD1-CD2 4.37Å; L184-F240 HydrophobicContact CD1-CE1 4.2Å; L184-F240 HydrophobicContact CD1-CG 3.94Å
185	Y	97.8	Very high	96.6	Very high	116 Å²	116	45.2 Å²	45.2	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-57.4	-48.5	174.7	-178.5	-95.4	0	0	0	111.6	Y181 A187 W188 T189 I224	Y181-Y185 WeakPolarHBondContact O-CB 3.49Å; Y181-Y185 PolarHBondContact O-N 3.39Å; Y185-A187 PolarHBondContact O-N 2.93Å; Y185-W188 HydrophobicContact CD2-CE3 4.06Å; Y185-W188 HydrophobicContact CD2-CZ3 4.3Å; Y185-W188 AromaticContact CE2-CE3 3.89Å; Y185-W188 HydrophobicContact CE2-CE3 3.89Å; Y185-W188 AromaticContact CE2-CZ3 3.67Å; Y185-W188 HydrophobicContact CE2-CZ3 3.67Å; Y185-W188 WeakPolarHBondContact O-CB 3.44Å; Y185-W188 PolarHBondContact O-N 2.91Å; Y185-T189 HydrophobicContact CD1-CG2 4.23Å; Y185-T189 HydrophobicContact CE1-CG2 3.77Å; Y185-T189 WeakPolarHBondContact O-CG2 3.19Å; Y185-T189 PolarHBondContact O-N 3.43Å; Y185-I224 VanDerWaalsContact CA-CD1 3.49Å; Y185-I224 HydrophobicContact CD2-CD1 4.23Å
186	R	96.7	Very high	96.5	Very high	74 Å²	74	44.9 Å²	44.9	28%	0.279	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-46.1	176.6	-174.4	173.1	-71.2	118.2	-4.5	111.5	E44 R145 S182 Q183 L184 W188 T189 E190	E44-R186 IonicContact OE1-NH2 3.12Å; E44-R186 IonicContact OE2-NH2 3.08Å; R145-R186 VanDerWaalsContact CD-CZ 3.43Å; R145-R186 VanDerWaalsContact CD-NH2 3.3Å; S182-R186 PolarHBondContact O-N 3.44Å; Q183-R186 PolarHBondContact O-N 2.93Å; L184-R186 PolarHBondContact O-N 3.41Å; R186-W188 VanDerWaalsContact C-N 3.3Å; R186-W188 PolarHBondContact O-N 3.11Å; R186-T189 WeakPolarHBondContact CA-OG1 3.41Å; R186-T189 PolarHBondContact O-N 3.45Å; R186-T189 VanDerWaalsContact O-N 3.14Å; R186-T189 PolarHBondContact O-OG1 3.23Å; R186-E190 WeakPolarHBondContact O-CG 3.45Å; R186-E190 PolarHBondContact O-N 3.32Å
187	A	97.7	Very high	96.5	Very high	13 Å²	13	44.4 Å²	44.4	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-40.4	177.2	0	0	0	0	0	112.4	V150 Q183 L184 Y185 E190 G191 L192	V150-A187 HydrophobicContact CB-CB 3.67Å; V150-A187 HydrophobicContact CG1-CB 4.45Å; V150-A187 HydrophobicContact CG2-CB 3.98Å; Q183-A187 PolarHBondContact O-N 3.3Å; L184-A187 PolarHBondContact O-N 2.97Å; Y185-A187 PolarHBondContact O-N 2.93Å; A187-E190 CarbonylContact O-C 3.47Å; A187-E190 PolarHBondContact O-N 3.35Å; A187-G191 PolarHBondContact O-N 3.25Å; A187-L192 HydrophobicContact CB-CB 4.06Å; A187-L192 HydrophobicContact CB-CD2 3.76Å; A187-L192 WeakPolarHBondContact O-CB 3.32Å; A187-L192 PolarHBondContact O-N 3.13Å
188	W	97.5	Very high	96.6	Very high	53 Å²	53	42.5 Å²	42.5	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-44.8	173.6	169	72.4	0	0	0	112.2	L184 Y185 R186 E190 G191 P208 I209 A222 I224	L184-W188 PolarHBondContact O-N 3.37Å; Y185-W188 HydrophobicContact CD2-CE3 4.06Å; Y185-W188 HydrophobicContact CD2-CZ3 4.3Å; Y185-W188 AromaticContact CE2-CE3 3.89Å; Y185-W188 HydrophobicContact CE2-CE3 3.89Å; Y185-W188 AromaticContact CE2-CZ3 3.67Å; Y185-W188 HydrophobicContact CE2-CZ3 3.67Å; Y185-W188 WeakPolarHBondContact O-CB 3.44Å; Y185-W188 PolarHBondContact O-N 2.91Å; R186-W188 VanDerWaalsContact C-N 3.3Å; R186-W188 PolarHBondContact O-N 3.11Å; W188-E190 PolarHBondContact O-N 2.83Å; W188-G191 PolarHBondContact O-N 3.04Å; W188-P208 HydrophobicContact CB-CB 3.83Å; W188-P208 HydrophobicContact CG-CB 4.06Å; W188-I209 PolarHBondContact NE1-O 3.12Å; W188-A222 HydrophobicContact CZ2-CB 4.36Å; W188-I224 HydrophobicContact CB-CD1 4.1Å; W188-I224 HydrophobicContact CB-CG1 4.13Å; W188-I224 HydrophobicContact CD2-CG1 4.35Å; W188-I224 HydrophobicContact CG-CD1 4.49Å; W188-I224 HydrophobicContact CG-CG1 4.07Å
189	T	96.9	Very high	96.6	Very high	79 Å²	79	42.4 Å²	42.4	49%	0.485	22%	0.218	S	C	.	.	H	α-helix	trans	-63.7	-22.8	175	60.2	0	0	0	0	113.1	Y185 R186 G191	Y185-T189 HydrophobicContact CD1-CG2 4.23Å; Y185-T189 HydrophobicContact CE1-CG2 3.77Å; Y185-T189 WeakPolarHBondContact O-CG2 3.19Å; Y185-T189 PolarHBondContact O-N 3.43Å; R186-T189 WeakPolarHBondContact CA-OG1 3.41Å; R186-T189 PolarHBondContact O-N 3.45Å; R186-T189 VanDerWaalsContact O-N 3.14Å; R186-T189 PolarHBondContact O-OG1 3.23Å; T189-G191 VanDerWaalsContact C-N 3.34Å
190	E	94.5	Very high	96.6	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.5	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.7	173.9	-68.2	-179.2	-166.5	0	0	113.2	R186 A187 W188 R284	R186-E190 WeakPolarHBondContact O-CG 3.45Å; R186-E190 PolarHBondContact O-N 3.32Å; A187-E190 CarbonylContact O-C 3.47Å; A187-E190 PolarHBondContact O-N 3.35Å; W188-E190 PolarHBondContact O-N 2.83Å; E190-R284 IonicContact OE1-NH2 3.9Å; E190-R284 PolarHBondContact OE1-NH2 3.22Å; E190-R284 IonicContact OE2-CZ 2.84Å; E190-R284 IonicContact OE2-NE 3.8Å; E190-R284 IonicContact OE2-NH2 3.69Å; E190-R284 PolarHBondContact OE2-NH2 3.19Å
191	G	93.6	Very high	96.5	Very high	43 Å²	43	44.1 Å²	44.1	44%	0.443	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.2	10.9	173.5	0	0	0	0	0	115.8	A187 W188 T189 D193	A187-G191 PolarHBondContact O-N 3.25Å; W188-G191 PolarHBondContact O-N 3.04Å; T189-G191 VanDerWaalsContact C-N 3.34Å; G191-D193 PolarHBondContact O-N 2.83Å; G191-D193 VanDerWaalsContact O-N 3.08Å
192	L	95.3	Very high	96.4	Very high	31 Å²	31	42.2 Å²	42.2	16%	0.162	22%	0.219	C	C	.	.			trans	-66.1	109.4	173.8	-179.7	63.6	0	0	0	110.7	V150 L184 A187 P208 V210 F240	V150-L192 HydrophobicContact CB-CD2 4.46Å; V150-L192 HydrophobicContact CG1-CD2 4.07Å; L184-L192 HydrophobicContact CD1-CD2 4Å; A187-L192 HydrophobicContact CB-CB 4.06Å; A187-L192 HydrophobicContact CB-CD2 3.76Å; A187-L192 WeakPolarHBondContact O-CB 3.32Å; A187-L192 PolarHBondContact O-N 3.13Å; L192-P208 HydrophobicContact CD2-CG 3.92Å; L192-P208 HydrophobicContact CG-CG 3.85Å; L192-P208 WeakPolarHBondContact O-CB 3.12Å; L192-V210 WeakPolarHBondContact O-CG2 3.42Å; L192-F240 HydrophobicContact CD2-CD1 4.4Å; L192-F240 HydrophobicContact CD2-CE1 4.28Å
193	D	94.4	Very high	96.4	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.193	20%	0.2	C	C	.	.			trans	-113.9	116.9	172.7	-170.5	-59.5	0	0	0	110.2	G191 V210 H211 R213	G191-D193 PolarHBondContact O-N 2.83Å; G191-D193 VanDerWaalsContact O-N 3.08Å; D193-V210 HydrophobicContact CB-CB 4.05Å; D193-V210 HydrophobicContact CB-CG2 4.11Å; D193-V210 PolarHBondContact OD2-N 3.49Å; D193-H211 PolarHBondContact OD2-N 3Å; D193-R213 VanDerWaalsContact CG-NH1 3.33Å; D193-R213 IonicContact OD1-CZ 3.66Å; D193-R213 IonicContact OD1-NH1 2.63Å; D193-R213 PolarHBondContact OD1-NH1 2.81Å; D193-R213 IonicContact OD1-NH2 3.39Å; D193-R213 PolarHBondContact OD1-NH2 2.91Å; D193-R213 IonicContact OD2-NH1 3.36Å; D193-R213 PolarHBondContact OD2-NH1 3.31Å; D193-R213 VanDerWaalsContact OD2-NH1 3.14Å
194	W	95.9	Very high	96.4	Very high	72 Å²	72	39.8 Å²	39.8	27%	0.273	20%	0.203	S	C	.	.			trans	-146.8	124.8	-178.3	-159.1	-104.2	0	0	0	112	P152 P208 F240 T322	P152-W194 HydrophobicContact CB-CD2 3.62Å; P152-W194 HydrophobicContact CB-CE3 4.23Å; P152-W194 HydrophobicContact CB-CG 3.9Å; P152-W194 HydrophobicContact CB-CH2 4.34Å; P152-W194 HydrophobicContact CB-CZ2 3.77Å; P152-W194 HydrophobicContact CG-CD2 3.59Å; P152-W194 HydrophobicContact CG-CE3 3.65Å; P152-W194 HydrophobicContact CG-CG 4.2Å; P152-W194 HydrophobicContact CG-CH2 3.88Å; P152-W194 HydrophobicContact CG-CZ2 3.83Å; P152-W194 HydrophobicContact CG-CZ3 3.79Å; W194-P208 HydrophobicContact CB-CG 4.29Å; W194-P208 PolarHBondContact N-O 2.93Å; W194-P208 VanDerWaalsContact O-O 3.08Å; W194-F240 HydrophobicContact CB-CE1 4.13Å; W194-F240 HydrophobicContact CB-CZ 4.15Å; W194-F240 AromaticContact CD1-CZ 3.78Å; W194-F240 HydrophobicContact CG-CE1 4.25Å; W194-F240 HydrophobicContact CG-CZ 4.26Å; W194-T322 HydrophobicContact CH2-CG2 4.45Å
195	C	94.6	Very high	96.4	Very high	38 Å²	38	39.8 Å²	39.8	26%	0.257	20%	0.203	S	C	.	.			trans	-87.5	-9	-173.1	-166.3	0	0	0	0	114.7	C216	C195-C216 HydrophobicContact CB-CB 4.01Å; C195-C216 WeakPolarHBondContact CB-SG 3.32Å; C195-C216 WeakPolarHBondContact SG-CA 3.28Å; C195-C216 WeakPolarHBondContact SG-CB 3.32Å; C195-C216 CovalentContact SG-SG 2.01Å; C195-C216 PolarHBondContact SG-SG 3.23Å
196	N	96.1	Very high	96.4	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.144	18%	0.184	C	C	.	.	S	Bend	trans	-93.5	134.4	179.3	-65.7	-7.6	0	0	0	110.5	R159 Y160 Y207 D238	R159-N196 WeakPolarHBondContact CD-OD1 3.41Å; Y160-N196 HydrophobicContact CE1-CB 3.89Å; Y160-N196 WeakPolarHBondContact OH-CA 3.35Å; N196-Y207 VanDerWaalsContact O-CB 3.3Å; N196-Y207 WeakPolarHBondContact O-CB 3.37Å; N196-D238 VanDerWaalsContact CB-OD2 3.29Å; N196-D238 WeakPolarHBondContact CB-OD2 3.47Å; N196-D238 PolarHBondContact ND2-OD2 2.93Å
197	A	97.8	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.			trans	-69.2	133.2	172.7	0	0	0	0	0	111.3	Y160 V205 H206 Y207 Y227 F237 D238	Y160-A197 HydrophobicContact CE1-CB 4.2Å; Y160-A197 WeakPolarHBondContact CE1-O 3.38Å; Y160-A197 PolarHBondContact OH-N 2.63Å; A197-V205 HydrophobicContact CB-CG1 3.74Å; A197-H206 WeakPolarHBondContact CA-O 3.5Å; A197-Y207 HydrophobicContact CB-CD1 4.05Å; A197-Y227 HydrophobicContact CB-CD2 3.91Å; A197-Y227 HydrophobicContact CB-CE2 3.48Å; A197-Y227 VanDerWaalsContact CB-CE2 3.48Å; A197-F237 HydrophobicContact CB-CD1 3.91Å; A197-F237 HydrophobicContact CB-CE1 4.33Å; A197-D238 PolarHBondContact O-N 3.26Å; A197-D238 VanDerWaalsContact O-N 3.11Å
198	G	98.6	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.8	-179.7	0	0	0	0	0	113.1	V205 H206 D238	G198-V205 WeakPolarHBondContact O-CA 3.37Å; G198-H206 PolarHBondContact N-O 2.73Å; G198-H206 PolarHBondContact O-N 3.32Å; G198-D238 CarbonylContact C-O 3.57Å; G198-D238 WeakPolarHBondContact CA-O 3.49Å
199	W	98.8	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	144.2	170.8	-64.6	107.3	0	0	0	111.1	F162 F164 A167 L178 G203 V205 K230 D235 F237 D238 F240	F162-W199 PolarHBondContact O-NE1 2.95Å; F164-W199 HydrophobicContact CB-CD2 4.13Å; F164-W199 HydrophobicContact CB-CE3 4.13Å; F164-W199 HydrophobicContact CB-CH2 4.25Å; F164-W199 HydrophobicContact CB-CZ2 4.28Å; F164-W199 HydrophobicContact CB-CZ3 4.17Å; F164-W199 HydrophobicContact CD2-CD2 4.21Å; F164-W199 AromaticContact CD2-CE3 3.82Å; F164-W199 HydrophobicContact CD2-CE3 3.82Å; F164-W199 HydrophobicContact CD2-CZ3 4.35Å; F164-W199 HydrophobicContact CG-CE3 4.47Å; A167-W199 HydrophobicContact CB-CB 4.04Å; A167-W199 HydrophobicContact CB-CG 4.09Å; L178-W199 HydrophobicContact CD2-CB 4.16Å; W199-G203 VanDerWaalsContact CZ3-O 3.29Å; W199-G203 WeakPolarHBondContact CZ3-O 3.47Å; W199-V205 HydrophobicContact CD2-CG2 3.79Å; W199-V205 HydrophobicContact CE3-CG2 3.44Å; W199-V205 VanDerWaalsContact CE3-CG2 3.44Å; W199-V205 HydrophobicContact CG-CG2 4.45Å; W199-V205 HydrophobicContact CH2-CG2 4.28Å; W199-V205 HydrophobicContact CZ3-CG2 3.74Å; W199-K230 HydrophobicContact CH2-CB 3.38Å; W199-K230 HydrophobicContact CZ2-CB 4.4Å; W199-K230 HydrophobicContact CZ3-CB 3.58Å; W199-D235 HydrophobicContact CH2-CB 4.18Å; W199-D235 HydrophobicContact CZ2-CB 4.07Å; W199-F237 HydrophobicContact CD2-CD2 4.34Å; W199-F237 AromaticContact CE2-CD2 3.7Å; W199-F237 HydrophobicContact CG-CB 4.46Å; W199-F237 HydrophobicContact CH2-CD2 4.33Å; W199-F237 AromaticContact CZ2-CD2 3.69Å; W199-F237 HydrophobicContact CZ2-CD2 3.69Å; W199-F237 HydrophobicContact CZ2-CE2 4.24Å; W199-F237 AromaticContact NE1-CD2 3.92Å; W199-D238 VanDerWaalsContact CD1-O 3.28Å; W199-D238 PolarHBondContact N-O 3.04Å; W199-F240 PolarHBondContact O-N 3.43Å
200	I	98.2	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.			trans	-125.2	171.1	166.7	61.8	163.7	0	0	0	109.6	A179 Y181 L184 D202 G203 T204 H206 F240	A179-I200 WeakPolarHBondContact O-CA 3.31Å; A179-I200 VanDerWaalsContact O-CB 3.23Å; A179-I200 WeakPolarHBondContact O-CB 3.3Å; Y181-I200 HydrophobicContact CD2-CD1 4.28Å; L184-I200 HydrophobicContact CD2-CG2 4.05Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 WeakPolarHBondContact CG1-OD1 3.4Å; I200-D202 PolarHBondContact O-N 3.24Å; I200-D202 VanDerWaalsContact O-N 3.1Å; I200-G203 PolarHBondContact O-N 2.98Å; I200-T204 WeakPolarHBondContact CD1-OG1 3.35Å; I200-T204 WeakPolarHBondContact CG1-O 3.36Å; I200-T204 WeakPolarHBondContact CG1-OG1 3.4Å; I200-T204 PolarHBondContact N-O 3.01Å; I200-T204 VanDerWaalsContact N-O 3.09Å; I200-H206 WeakPolarHBondContact CD1-CD2 3.24Å; I200-F240 HydrophobicContact CG2-CB 4.16Å; I200-F240 HydrophobicContact CG2-CD2 4.39Å
201	H	95.3	Very high	96.2	Very high	64 Å²	64	27.3 Å²	27.3	30%	0.296	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36	-166.2	-175.1	-82.1	0	0	0	114.6	M177 L178 A179 G203	M177-H201 WeakPolarHBondContact CE-CD2 3.05Å; L178-H201 HydrophobicContact CB-CB 4.19Å; A179-H201 WeakPolarHBondContact O-CB 3.35Å; A179-H201 PolarHBondContact O-N 2.62Å; H201-G203 PolarHBondContact O-N 3.43Å
202	D	93.4	Very high	96.2	Very high	64 Å²	64	28.6 Å²	28.6	34%	0.342	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	7.6	-178	69	-0	0	0	0	114.1	E76 I200 T204	E76-D202 VanDerWaalsContact OE1-C 3.3Å; E76-D202 WeakPolarHBondContact OE1-CA 3.45Å; E76-D202 VanDerWaalsContact OE1-O 3.12Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 WeakPolarHBondContact CG1-OD1 3.4Å; I200-D202 PolarHBondContact O-N 3.24Å; I200-D202 VanDerWaalsContact O-N 3.1Å; D202-T204 PolarHBondContact O-N 2.84Å; D202-T204 VanDerWaalsContact OD1-CB 3.27Å; D202-T204 WeakPolarHBondContact OD1-CB 3.49Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.05Å; D202-T204 PolarHBondContact OD1-N 3.07Å; D202-T204 PolarHBondContact OD1-OG1 2.94Å; D202-T204 PolarHBondContact OD2-OG1 3.44Å
203	G	95	Very high	96.1	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	71.1	14	-177.2	0	0	0	0	0	114.5	F164 W199 I200 H201 K230	F164-G203 VanDerWaalsContact CE2-CA 3.45Å; W199-G203 VanDerWaalsContact CZ3-O 3.29Å; W199-G203 WeakPolarHBondContact CZ3-O 3.47Å; I200-G203 PolarHBondContact O-N 2.98Å; H201-G203 PolarHBondContact O-N 3.43Å; G203-K230 PolarHBondContact O-N 2.04Å
204	T	97.4	Very high	95.9	Very high	17 Å²	17	33.7 Å²	33.7	10%	0.104	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	166.6	165.6	69.2	0	0	0	0	110.7	I200 D202 H206 G228 P229	I200-T204 WeakPolarHBondContact CD1-OG1 3.35Å; I200-T204 WeakPolarHBondContact CG1-O 3.36Å; I200-T204 WeakPolarHBondContact CG1-OG1 3.4Å; I200-T204 PolarHBondContact N-O 3.01Å; I200-T204 VanDerWaalsContact N-O 3.09Å; D202-T204 PolarHBondContact O-N 2.84Å; D202-T204 VanDerWaalsContact OD1-CB 3.27Å; D202-T204 WeakPolarHBondContact OD1-CB 3.49Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.05Å; D202-T204 PolarHBondContact OD1-N 3.07Å; D202-T204 PolarHBondContact OD1-OG1 2.94Å; D202-T204 PolarHBondContact OD2-OG1 3.44Å; T204-H206 PolarHBondContact OG1-CD2 2.85Å; T204-H206 VanDerWaalsContact OG1-CD2 3.26Å; T204-H206 PolarHBondContact OG1-NE2 3.35Å; T204-G228 WeakPolarHBondContact CA-O 3.23Å; T204-P229 HydrophobicContact CG2-CB 4.4Å; T204-P229 HydrophobicContact CG2-CG 4.03Å
205	V	98.5	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	-175.5	173.6	0	0	0	0	109.9	A197 G198 W199 Y227 G228 K230 F237	A197-V205 HydrophobicContact CB-CG1 3.74Å; G198-V205 WeakPolarHBondContact O-CA 3.37Å; W199-V205 HydrophobicContact CD2-CG2 3.79Å; W199-V205 HydrophobicContact CE3-CG2 3.44Å; W199-V205 VanDerWaalsContact CE3-CG2 3.44Å; W199-V205 HydrophobicContact CG-CG2 4.45Å; W199-V205 HydrophobicContact CH2-CG2 4.28Å; W199-V205 HydrophobicContact CZ3-CG2 3.74Å; V205-Y227 HydrophobicContact CG1-CD2 3.92Å; V205-Y227 HydrophobicContact CG1-CG 4.44Å; V205-Y227 PolarHBondContact O-N 3Å; V205-G228 PolarHBondContact N-O 3.37Å; V205-K230 HydrophobicContact CB-CG 4.25Å; V205-K230 HydrophobicContact CG2-CB 4.17Å; V205-K230 HydrophobicContact CG2-CG 3.79Å; V205-F237 HydrophobicContact CB-CD2 4.39Å; V205-F237 HydrophobicContact CB-CE2 4.42Å; V205-F237 HydrophobicContact CG1-CB 4.41Å; V205-F237 HydrophobicContact CG1-CD1 3.75Å; V205-F237 HydrophobicContact CG1-CD2 4.07Å; V205-F237 HydrophobicContact CG1-CE1 3.97Å; V205-F237 HydrophobicContact CG1-CE2 4.26Å; V205-F237 HydrophobicContact CG1-CG 3.8Å; V205-F237 HydrophobicContact CG1-CZ 4.22Å; V205-F237 HydrophobicContact CG2-CD2 3.52Å; V205-F237 HydrophobicContact CG2-CE2 3.74Å; V205-F237 HydrophobicContact CG2-CG 4.04Å; V205-F237 HydrophobicContact CG2-CZ 4.43Å
206	H	98.3	Very high	95.7	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	168.1	-174.8	-63.7	-102.8	0	0	0	112.4	Y181 L184 A197 G198 I200 T204 I224 R225 S226 F240	Y181-H206 AromaticContact CD2-CE1 3.69Å; Y181-H206 AromaticContact CE2-CE1 3.68Å; Y181-H206 AromaticContact CE2-ND1 3.79Å; L184-H206 HydrophobicContact CD2-CB 3.73Å; A197-H206 WeakPolarHBondContact CA-O 3.5Å; G198-H206 PolarHBondContact N-O 2.73Å; G198-H206 PolarHBondContact O-N 3.32Å; I200-H206 WeakPolarHBondContact CD1-CD2 3.24Å; T204-H206 PolarHBondContact OG1-CD2 2.85Å; T204-H206 VanDerWaalsContact OG1-CD2 3.26Å; T204-H206 PolarHBondContact OG1-NE2 3.35Å; H206-I224 HydrophobicContact CB-CG2 3.81Å; H206-R225 CarbonylContact C-O 3.47Å; H206-R225 WeakPolarHBondContact CA-O 3.41Å; H206-R225 VanDerWaalsContact CB-O 3.32Å; H206-R225 WeakPolarHBondContact CB-O 3.06Å; H206-S226 PolarHBondContact CE1-OG 3.03Å; H206-S226 WeakPolarHBondContact ND1-CB 3.41Å; H206-F240 VanDerWaalsContact O-CE2 3.26Å; H206-F240 WeakPolarHBondContact O-CE2 3.41Å
207	Y	97.9	Very high	94.9	Very high	19 Å²	19	34.8 Å²	34.8	8%	0.075	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	132.8	163.4	59.5	-80	0	0	0	111.6	N196 A197 I209 R225 Y227	N196-Y207 VanDerWaalsContact O-CB 3.3Å; N196-Y207 WeakPolarHBondContact O-CB 3.37Å; A197-Y207 HydrophobicContact CB-CD1 4.05Å; Y207-I209 HydrophobicContact CD2-CD1 3.96Å; Y207-I209 HydrophobicContact CD2-CG1 3.9Å; Y207-I209 HydrophobicContact CE2-CD1 4.26Å; Y207-I209 HydrophobicContact CE2-CG1 4Å; Y207-R225 HydrophobicContact CD1-CB 3.79Å; Y207-R225 HydrophobicContact CD2-CB 4.13Å; Y207-R225 HydrophobicContact CD2-CG 4.16Å; Y207-R225 HydrophobicContact CE1-CB 3.35Å; Y207-R225 HydrophobicContact CE1-CG 4.08Å; Y207-R225 HydrophobicContact CE2-CB 3.75Å; Y207-R225 HydrophobicContact CE2-CG 3.55Å; Y207-R225 HydrophobicContact CG-CB 4.15Å; Y207-R225 PolarHBondContact N-O 3.22Å; Y207-R225 PolarHBondContact O-N 3.06Å; Y207-Y227 HydrophobicContact CD1-CE1 4.5Å; Y207-Y227 HydrophobicContact CE1-CD1 4.36Å; Y207-Y227 AromaticContact CE1-CE1 3.6Å; Y207-Y227 HydrophobicContact CE1-CE1 3.6Å; Y207-Y227 AromaticContact CE1-CZ 3.69Å
208	P	97.4	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.2	-176.8	34.7	-34.6	0	0	0	112.5	L184 W188 L192 W194 I224 F240	L184-P208 HydrophobicContact CD1-CG 4.07Å; W188-P208 HydrophobicContact CB-CB 3.83Å; W188-P208 HydrophobicContact CG-CB 4.06Å; L192-P208 HydrophobicContact CD2-CG 3.92Å; L192-P208 HydrophobicContact CG-CG 3.85Å; L192-P208 WeakPolarHBondContact O-CB 3.12Å; W194-P208 HydrophobicContact CB-CG 4.29Å; W194-P208 PolarHBondContact N-O 2.93Å; W194-P208 VanDerWaalsContact O-O 3.08Å; P208-I224 HydrophobicContact CB-CG1 4.11Å; P208-F240 VanDerWaalsContact CD-CZ 3.43Å; P208-F240 HydrophobicContact CG-CE1 4.27Å; P208-F240 HydrophobicContact CG-CZ 4.28Å
209	I	96.7	Very high	93.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.8	176.1	-58.6	-63.1	0	0	0	109.8	W188 Y207 H211 C216 A222 G223	W188-I209 PolarHBondContact NE1-O 3.12Å; Y207-I209 HydrophobicContact CD2-CD1 3.96Å; Y207-I209 HydrophobicContact CD2-CG1 3.9Å; Y207-I209 HydrophobicContact CE2-CD1 4.26Å; Y207-I209 HydrophobicContact CE2-CG1 4Å; I209-H211 WeakPolarHBondContact CG2-O 3.28Å; I209-C216 HydrophobicContact CD1-CB 3.64Å; I209-C216 HydrophobicContact CG1-CB 4.4Å; I209-A222 WeakPolarHBondContact O-CA 3.07Å; I209-G223 PolarHBondContact N-O 2.93Å; I209-G223 PolarHBondContact O-N 3.38Å
210	V	94.4	Very high	93.5	Very high	41 Å²	41	48.2 Å²	48.2	25%	0.248	27%	0.274	C	S	.	.	S	Bend	trans	-92.6	-41.6	173.6	179.3	0	0	0	0	109.8	L192 D193 P212 A222	L192-V210 WeakPolarHBondContact O-CG2 3.42Å; D193-V210 HydrophobicContact CB-CB 4.05Å; D193-V210 HydrophobicContact CB-CG2 4.11Å; D193-V210 PolarHBondContact OD2-N 3.49Å; V210-P212 WeakPolarHBondContact O-CD 3.46Å; V210-A222 WeakPolarHBondContact O-CB 3.42Å
211	H	92.8	Very high	93.3	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.495	31%	0.305	S	S	.	.	S	Bend	trans	-110.6	98.6	179.2	-60.1	-60.9	0	0	0	110.3	D193 I209 R213	D193-H211 PolarHBondContact OD2-N 3Å; I209-H211 WeakPolarHBondContact CG2-O 3.28Å; H211-R213 PolarHBondContact O-N 2.83Å; H211-R213 PolarHBondContact O-NH1 3.23Å
212	P	93.1	Very high	93.4	Very high	71 Å²	71	52.1 Å²	52.1	46%	0.461	31%	0.31	S	S	.	.			trans	-53.4	135.1	178.1	-28.7	37.1	0	0	0	112.4	V210 A222	V210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-A222 HydrophobicContact CG-CB 4.34Å
213	R	93.5	Very high	93.5	Very high	75 Å²	75	49.6 Å²	49.6	28%	0.283	30%	0.298	S	S	.	.			trans	-151.8	143.9	177.5	57.6	-163.8	177.3	-81.1	5.3	110.4	D193 H211 V215 C216	D193-R213 VanDerWaalsContact CG-NH1 3.33Å; D193-R213 IonicContact OD1-CZ 3.66Å; D193-R213 IonicContact OD1-NH1 2.63Å; D193-R213 PolarHBondContact OD1-NH1 2.81Å; D193-R213 IonicContact OD1-NH2 3.39Å; D193-R213 PolarHBondContact OD1-NH2 2.91Å; D193-R213 IonicContact OD2-NH1 3.36Å; D193-R213 PolarHBondContact OD2-NH1 3.31Å; D193-R213 VanDerWaalsContact OD2-NH1 3.14Å; H211-R213 PolarHBondContact O-N 2.83Å; H211-R213 PolarHBondContact O-NH1 3.23Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 HydrophobicContact CG-CG2 4.09Å; R213-V215 PolarHBondContact O-N 3.12Å; R213-V215 VanDerWaalsContact O-N 3.1Å; R213-C216 HydrophobicContact CG-CB 3.71Å; R213-C216 PolarHBondContact NE-SG 3.13Å; R213-C216 PolarHBondContact O-N 2.98Å
214	P	91.3	Very high	93.6	Very high	99 Å²	99	50.8 Å²	50.8	64%	0.643	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.1	-171.3	-30.2	35.7	0	0	0	114.5	C216 G218	P214-C216 PolarHBondContact O-N 3.1Å; P214-G218 WeakPolarHBondContact O-CA 3.48Å; P214-G218 PolarHBondContact O-N 2.91Å
215	V	93.1	Very high	93.6	Very high	127 Å²	127	51.6 Å²	51.6	77%	0.77	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.5	179.8	-64.6	0	0	0	0	114	R213	R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 HydrophobicContact CG-CG2 4.09Å; R213-V215 PolarHBondContact O-N 3.12Å; R213-V215 VanDerWaalsContact O-N 3.1Å
216	C	91.4	Very high	93.5	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.034	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	58.1	-174	-56.2	0	0	0	0	112.3	C195 I209 R213 P214	C195-C216 HydrophobicContact CB-CB 4.01Å; C195-C216 WeakPolarHBondContact CB-SG 3.32Å; C195-C216 WeakPolarHBondContact SG-CA 3.28Å; C195-C216 WeakPolarHBondContact SG-CB 3.32Å; C195-C216 CovalentContact SG-SG 2.01Å; C195-C216 PolarHBondContact SG-SG 3.23Å; I209-C216 HydrophobicContact CD1-CB 3.64Å; I209-C216 HydrophobicContact CG1-CB 4.4Å; R213-C216 HydrophobicContact CG-CB 3.71Å; R213-C216 PolarHBondContact NE-SG 3.13Å; R213-C216 PolarHBondContact O-N 2.98Å; P214-C216 PolarHBondContact O-N 3.1Å
217	G	81	Confident	93.3	Very high	27 Å²	27	59.1 Å²	59.1	28%	0.278	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	24.5	179.6	0	0	0	0	0	114.5	N219 L220	G217-N219 PolarHBondContact O-N 2.56Å; G217-L220 WeakPolarHBondContact O-CG 3.4Å; G217-L220 PolarHBondContact O-N 3.28Å
218	G	85.4	Confident	93.2	Very high	31 Å²	31	59.1 Å²	59.1	32%	0.32	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-129.1	172.1	0	0	0	0	0	113	P214	P214-G218 WeakPolarHBondContact O-CA 3.48Å; P214-G218 PolarHBondContact O-N 2.91Å
219	N	87.9	Confident	93.1	Very high	159 Å²	159	64.3 Å²	64.3	85%	0.85	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	16.3	-175.3	-63.7	-21	0	0	0	113.5	G217	G217-N219 PolarHBondContact O-N 2.56Å
220	L	92	Very high	93.1	Very high	93 Å²	93	68 Å²	68	49%	0.487	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-72.9	140.7	-179.3	-66.8	174.3	0	0	0	111.5	G217 R225	G217-L220 WeakPolarHBondContact O-CG 3.4Å; G217-L220 PolarHBondContact O-N 3.28Å; L220-R225 PolarHBondContact O-NH2 3.13Å; L220-R225 VanDerWaalsContact O-NH2 3.15Å
221	P	94.4	Very high	93.3	Very high	98 Å²	98	69.6 Å²	69.6	64%	0.636	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-67.9	164.5	178.3	30.5	-36.8	0	0	0	112.2	R225	P221-R225 PolarHBondContact O-NH1 2.96Å; P221-R225 PolarHBondContact O-NH2 3.04Å
222	A	95.9	Very high	93.5	Very high	48 Å²	48	67.7 Å²	67.7	40%	0.397	40%	0.397	S	S	.	.	S	Bend	trans	-49.3	143.9	-178.7	0	0	0	0	0	113	W188 I209 V210 P212	W188-A222 HydrophobicContact CZ2-CB 4.36Å; I209-A222 WeakPolarHBondContact O-CA 3.07Å; V210-A222 WeakPolarHBondContact O-CB 3.42Å; P212-A222 HydrophobicContact CG-CB 4.34Å
223	G	96.6	Very high	93.7	Very high	10 Å²	10	68.8 Å²	68.8	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.2	176	-179.4	0	0	0	0	0	113.4	I209	I209-G223 PolarHBondContact N-O 2.93Å; I209-G223 PolarHBondContact O-N 3.38Å
224	I	97.6	Very high	93.9	Very high	28 Å²	28	71.8 Å²	71.8	14%	0.144	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.2	172.8	-60.9	-179	0	0	0	109	Y181 L184 Y185 W188 H206 P208	Y181-I224 HydrophobicContact CE2-CD1 4.44Å; Y181-I224 HydrophobicContact CE2-CG2 4.08Å; L184-I224 HydrophobicContact CD2-CD1 4.35Å; L184-I224 HydrophobicContact CD2-CG2 4.2Å; L184-I224 HydrophobicContact CG-CD1 3.99Å; Y185-I224 VanDerWaalsContact CA-CD1 3.49Å; Y185-I224 HydrophobicContact CD2-CD1 4.23Å; W188-I224 HydrophobicContact CB-CD1 4.1Å; W188-I224 HydrophobicContact CB-CG1 4.13Å; W188-I224 HydrophobicContact CD2-CG1 4.35Å; W188-I224 HydrophobicContact CG-CD1 4.49Å; W188-I224 HydrophobicContact CG-CG1 4.07Å; H206-I224 HydrophobicContact CB-CG2 3.81Å; P208-I224 HydrophobicContact CB-CG1 4.11Å
225	R	96.1	Very high	94.2	Very high	34 Å²	34	69.9 Å²	69.9	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144.2	173.7	-57.1	-56.9	-174.3	-107.4	-17.9	109.4	H206 Y207 L220 P221	H206-R225 CarbonylContact C-O 3.47Å; H206-R225 WeakPolarHBondContact CA-O 3.41Å; H206-R225 VanDerWaalsContact CB-O 3.32Å; H206-R225 WeakPolarHBondContact CB-O 3.06Å; Y207-R225 HydrophobicContact CD1-CB 3.79Å; Y207-R225 HydrophobicContact CD2-CB 4.13Å; Y207-R225 HydrophobicContact CD2-CG 4.16Å; Y207-R225 HydrophobicContact CE1-CB 3.35Å; Y207-R225 HydrophobicContact CE1-CG 4.08Å; Y207-R225 HydrophobicContact CE2-CB 3.75Å; Y207-R225 HydrophobicContact CE2-CG 3.55Å; Y207-R225 HydrophobicContact CG-CB 4.15Å; Y207-R225 PolarHBondContact N-O 3.22Å; Y207-R225 PolarHBondContact O-N 3.06Å; L220-R225 PolarHBondContact O-NH2 3.13Å; L220-R225 VanDerWaalsContact O-NH2 3.15Å; P221-R225 PolarHBondContact O-NH1 2.96Å; P221-R225 PolarHBondContact O-NH2 3.04Å
226	S	95.9	Very high	94.5	Very high	68 Å²	68	68.4 Å²	68.4	48%	0.476	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.3	180	-173.3	0	0	0	0	110.3	H206 G228	H206-S226 PolarHBondContact CE1-OG 3.03Å; H206-S226 WeakPolarHBondContact ND1-CB 3.41Å; S226-G228 PolarHBondContact OG-N 3.09Å
227	Y	95.8	Very high	94.8	Very high	101 Å²	101	69.4 Å²	69.4	40%	0.396	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	5.1	164.7	-65.7	-13.5	0	0	0	112.1	A197 V205 Y207 K230 F237	A197-Y227 HydrophobicContact CB-CD2 3.91Å; A197-Y227 HydrophobicContact CB-CE2 3.48Å; A197-Y227 VanDerWaalsContact CB-CE2 3.48Å; V205-Y227 HydrophobicContact CG1-CD2 3.92Å; V205-Y227 HydrophobicContact CG1-CG 4.44Å; V205-Y227 PolarHBondContact O-N 3Å; Y207-Y227 HydrophobicContact CD1-CE1 4.5Å; Y207-Y227 HydrophobicContact CE1-CD1 4.36Å; Y207-Y227 AromaticContact CE1-CE1 3.6Å; Y207-Y227 HydrophobicContact CE1-CE1 3.6Å; Y207-Y227 AromaticContact CE1-CZ 3.69Å; Y227-K230 WeakPolarHBondContact O-CE 3.46Å; Y227-K230 PolarHBondContact O-NZ 3.26Å; Y227-F237 AromaticContact CD2-CE1 3.81Å; Y227-F237 HydrophobicContact CD2-CE1 3.81Å; Y227-F237 HydrophobicContact CD2-CZ 4.23Å; Y227-F237 HydrophobicContact CE2-CE1 4.1Å
228	G	94.8	Very high	95.6	Very high	20 Å²	20	68.2 Å²	68.2	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.7	-167.1	-177.6	0	0	0	0	0	113.6	T204 V205 S226	T204-G228 WeakPolarHBondContact CA-O 3.23Å; V205-G228 PolarHBondContact N-O 3.37Å; S226-G228 PolarHBondContact OG-N 3.09Å
229	P	95.2	Very high	96.3	Very high	109 Å²	109	66.8 Å²	66.8	71%	0.708	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	141.7	170.2	-20.8	32.5	0	0	0	111.4	T204	T204-P229 HydrophobicContact CG2-CB 4.4Å; T204-P229 HydrophobicContact CG2-CG 4.03Å
230	K	97	Very high	96.8	Very high	76 Å²	76	59.3 Å²	59.3	33%	0.33	32%	0.317	S	S	.	.			trans	-129.3	163.2	179.8	-70.2	-62.9	176.1	-149	0	111.2	W199 G203 V205 Y227 K232 D235 F237	W199-K230 HydrophobicContact CH2-CB 3.38Å; W199-K230 HydrophobicContact CZ2-CB 4.4Å; W199-K230 HydrophobicContact CZ3-CB 3.58Å; G203-K230 PolarHBondContact O-N 2.04Å; V205-K230 HydrophobicContact CB-CG 4.25Å; V205-K230 HydrophobicContact CG2-CB 4.17Å; V205-K230 HydrophobicContact CG2-CG 3.79Å; Y227-K230 WeakPolarHBondContact O-CE 3.46Å; Y227-K230 PolarHBondContact O-NZ 3.26Å; K230-K232 PolarHBondContact O-N 3.28Å; K230-K232 VanDerWaalsContact O-N 3.09Å; K230-D235 HydrophobicContact CB-CB 4.14Å; K230-D235 WeakPolarHBondContact CB-OD2 3.44Å; K230-D235 WeakPolarHBondContact CD-OD2 3.26Å; K230-F237 HydrophobicContact CB-CE2 4.18Å; K230-F237 HydrophobicContact CD-CE2 4.25Å; K230-F237 HydrophobicContact CD-CZ 4.33Å; K230-F237 HydrophobicContact CG-CE2 3.77Å; K230-F237 HydrophobicContact CG-CZ 4.21Å
231	N	97.6	Very high	97.1	Very high	75 Å²	75	54.9 Å²	54.9	40%	0.401	29%	0.294	S	S	.	.			trans	-71.2	107	178	-171.6	-56.8	0	0	0	109.6	N233 H234 D235	N231-N233 PolarHBondContact O-N 3.09Å; N231-N233 PolarHBondContact OD1-N 3.32Å; N231-H234 HydrophobicContact CB-CB 4.39Å; N231-H234 PolarHBondContact O-N 3.47Å; N231-H234 PolarHBondContact OD1-CD2 3.16Å; N231-H234 VanDerWaalsContact OD1-CD2 3.28Å; N231-H234 PolarHBondContact OD1-N 3.21Å; N231-H234 VanDerWaalsContact OD1-N 3.09Å; N231-D235 PolarHBondContact N-OD2 3.25Å; N231-D235 PolarHBondContact O-N 3.03Å
232	K	97.6	Very high	97.3	Very high	67 Å²	67	50.4 Å²	50.4	29%	0.291	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.7	-175.8	-69.3	-174	173.2	-173.8	0	113.9	N163 F164 K230	N163-K232 WeakPolarHBondContact CB-O 3.12Å; F164-K232 HydrophobicContact CB-CB 3.7Å; F164-K232 HydrophobicContact CB-CG 3.82Å; F164-K232 WeakPolarHBondContact CB-O 3.5Å; F164-K232 HydrophobicContact CD1-CB 4.24Å; F164-K232 HydrophobicContact CD1-CD 3.73Å; F164-K232 HydrophobicContact CD1-CG 4Å; F164-K232 HydrophobicContact CD2-CG 4.4Å; F164-K232 HydrophobicContact CE1-CD 4.05Å; F164-K232 HydrophobicContact CG-CB 4.13Å; F164-K232 HydrophobicContact CG-CD 3.99Å; F164-K232 HydrophobicContact CG-CG 3.8Å; F164-K232 PolarHBondContact N-O 2.7Å; F164-K232 VanDerWaalsContact N-O 3.12Å; K230-K232 PolarHBondContact O-N 3.28Å; K230-K232 VanDerWaalsContact O-N 3.09Å
233	N	98	Very high	97.4	Very high	94 Å²	94	48.1 Å²	48.1	50%	0.503	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-35.9	-177.3	-62.6	-38.3	0	0	0	113.6	N231 R236	N231-N233 PolarHBondContact O-N 3.09Å; N231-N233 PolarHBondContact OD1-N 3.32Å; N233-R236 PolarHBondContact O-NH1 3.5Å
234	H	97	Very high	97.5	Very high	138 Å²	138	47.7 Å²	47.7	64%	0.639	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-41.4	-168.3	-62.6	-61.2	0	0	0	113.3	N231 R236	N231-H234 HydrophobicContact CB-CB 4.39Å; N231-H234 PolarHBondContact O-N 3.47Å; N231-H234 PolarHBondContact OD1-CD2 3.16Å; N231-H234 VanDerWaalsContact OD1-CD2 3.28Å; N231-H234 PolarHBondContact OD1-N 3.21Å; N231-H234 VanDerWaalsContact OD1-N 3.09Å; H234-R236 PolarHBondContact O-NH1 3.25Å
235	D	98.3	Very high	97.3	Very high	59 Å²	59	49.6 Å²	49.6	32%	0.316	25%	0.25	S	C	.	.			trans	-69.9	151.2	-177.1	-67.3	-32	0	0	0	110.7	N163 W199 K230 N231 F237	N163-D235 WeakPolarHBondContact CA-O 3.41Å; W199-D235 HydrophobicContact CH2-CB 4.18Å; W199-D235 HydrophobicContact CZ2-CB 4.07Å; K230-D235 HydrophobicContact CB-CB 4.14Å; K230-D235 WeakPolarHBondContact CB-OD2 3.44Å; K230-D235 WeakPolarHBondContact CD-OD2 3.26Å; N231-D235 PolarHBondContact N-OD2 3.25Å; N231-D235 PolarHBondContact O-N 3.03Å; D235-F237 HydrophobicContact CB-CD2 4.39Å; D235-F237 HydrophobicContact CB-CE2 3.76Å
236	R	98.5	Very high	97.1	Very high	97 Å²	97	48.9 Å²	48.9	37%	0.366	25%	0.248	S	C	.	.			trans	-130.5	128	-173.8	-64.6	-63.2	-162.1	-92.4	15.5	110.9	Y160 K161 F162 N163 E166 N233 H234	Y160-R236 WeakPolarHBondContact O-CB 3.43Å; K161-R236 WeakPolarHBondContact O-CD 3.31Å; F162-R236 VanDerWaalsContact C-CD 3.45Å; F162-R236 CarbonylContact O-C 3.09Å; F162-R236 VanDerWaalsContact O-CA 3.28Å; F162-R236 WeakPolarHBondContact O-CA 3.18Å; N163-R236 VanDerWaalsContact N-CD 3.29Å; E166-R236 IonicContact OE1-NH2 2.97Å; E166-R236 IonicContact OE2-NE 2.8Å; N233-R236 PolarHBondContact O-NH1 3.5Å; H234-R236 PolarHBondContact O-NH1 3.25Å
237	F	98.6	Very high	96.8	Very high	25 Å²	25	51.1 Å²	51.1	11%	0.11	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-145.8	-176.8	-179.8	-63.2	-76.6	0	0	0	110.9	Y160 K161 F162 A197 W199 V205 Y227 K230 D235	Y160-F237 HydrophobicContact CD1-CB 4.48Å; Y160-F237 HydrophobicContact CD1-CD1 4.41Å; K161-F237 PolarHBondContact N-O 3.08Å; F162-F237 PolarHBondContact N-O 3.08Å; F162-F237 PolarHBondContact O-N 3.42Å; A197-F237 HydrophobicContact CB-CD1 3.91Å; A197-F237 HydrophobicContact CB-CE1 4.33Å; W199-F237 HydrophobicContact CD2-CD2 4.34Å; W199-F237 AromaticContact CE2-CD2 3.7Å; W199-F237 HydrophobicContact CG-CB 4.46Å; W199-F237 HydrophobicContact CH2-CD2 4.33Å; W199-F237 AromaticContact CZ2-CD2 3.69Å; W199-F237 HydrophobicContact CZ2-CD2 3.69Å; W199-F237 HydrophobicContact CZ2-CE2 4.24Å; W199-F237 AromaticContact NE1-CD2 3.92Å; V205-F237 HydrophobicContact CB-CD2 4.39Å; V205-F237 HydrophobicContact CB-CE2 4.42Å; V205-F237 HydrophobicContact CG1-CB 4.41Å; V205-F237 HydrophobicContact CG1-CD1 3.75Å; V205-F237 HydrophobicContact CG1-CD2 4.07Å; V205-F237 HydrophobicContact CG1-CE1 3.97Å; V205-F237 HydrophobicContact CG1-CE2 4.26Å; V205-F237 HydrophobicContact CG1-CG 3.8Å; V205-F237 HydrophobicContact CG1-CZ 4.22Å; V205-F237 HydrophobicContact CG2-CD2 3.52Å; V205-F237 HydrophobicContact CG2-CE2 3.74Å; V205-F237 HydrophobicContact CG2-CG 4.04Å; V205-F237 HydrophobicContact CG2-CZ 4.43Å; Y227-F237 AromaticContact CD2-CE1 3.81Å; Y227-F237 HydrophobicContact CD2-CE1 3.81Å; Y227-F237 HydrophobicContact CD2-CZ 4.23Å; Y227-F237 HydrophobicContact CE2-CE1 4.1Å; K230-F237 HydrophobicContact CB-CE2 4.18Å; K230-F237 HydrophobicContact CD-CE2 4.25Å; K230-F237 HydrophobicContact CD-CZ 4.33Å; K230-F237 HydrophobicContact CG-CE2 3.77Å; K230-F237 HydrophobicContact CG-CZ 4.21Å; D235-F237 HydrophobicContact CB-CD2 4.39Å; D235-F237 HydrophobicContact CB-CE2 3.76Å
238	D	98.5	Very high	96.7	Very high	2 Å²	2	48 Å²	48	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-166.6	166.5	-67.4	-8.7	0	0	0	108.6	Y160 N196 A197 G198 W199	Y160-D238 HydrophobicContact CD1-CB 4.45Å; Y160-D238 PolarHBondContact N-OD1 2.68Å; N196-D238 VanDerWaalsContact CB-OD2 3.29Å; N196-D238 WeakPolarHBondContact CB-OD2 3.47Å; N196-D238 PolarHBondContact ND2-OD2 2.93Å; A197-D238 PolarHBondContact O-N 3.26Å; A197-D238 VanDerWaalsContact O-N 3.11Å; G198-D238 CarbonylContact C-O 3.57Å; G198-D238 WeakPolarHBondContact CA-O 3.49Å; W199-D238 VanDerWaalsContact CD1-O 3.28Å; W199-D238 PolarHBondContact N-O 3.04Å
239	A	98.8	Very high	96.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147	176.2	0	0	0	0	0	111.3	Y153 A167 L178	Y153-A239 PolarHBondContact N-O 2.82Å; Y153-A239 PolarHBondContact O-N 3.01Å; A167-A239 HydrophobicContact CB-CB 3.9Å; L178-A239 HydrophobicContact CD2-CB 4.04Å
240	F	98.9	Very high	96.9	Very high	2 Å²	2	44 Å²	44	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.1	160.2	-72.7	-77.8	0	0	0	108.3	V150 P152 A179 L184 L192 W194 W199 I200 H206 P208	V150-F240 HydrophobicContact CG1-CB 4.02Å; V150-F240 HydrophobicContact CG1-CD1 4.05Å; V150-F240 HydrophobicContact CG1-CG 4.46Å; P152-F240 HydrophobicContact CB-CD1 4.34Å; P152-F240 HydrophobicContact CB-CE1 4.04Å; A179-F240 HydrophobicContact CB-CB 4.33Å; A179-F240 WeakPolarHBondContact CB-O 3.23Å; A179-F240 PolarHBondContact N-O 2.93Å; L184-F240 HydrophobicContact CD1-CB 4.42Å; L184-F240 HydrophobicContact CD1-CD1 3.85Å; L184-F240 HydrophobicContact CD1-CD2 4.37Å; L184-F240 HydrophobicContact CD1-CE1 4.2Å; L184-F240 HydrophobicContact CD1-CG 3.94Å; L192-F240 HydrophobicContact CD2-CD1 4.4Å; L192-F240 HydrophobicContact CD2-CE1 4.28Å; W194-F240 HydrophobicContact CB-CE1 4.13Å; W194-F240 HydrophobicContact CB-CZ 4.15Å; W194-F240 AromaticContact CD1-CZ 3.78Å; W194-F240 HydrophobicContact CG-CE1 4.25Å; W194-F240 HydrophobicContact CG-CZ 4.26Å; W199-F240 PolarHBondContact O-N 3.43Å; I200-F240 HydrophobicContact CG2-CB 4.16Å; I200-F240 HydrophobicContact CG2-CD2 4.39Å; H206-F240 VanDerWaalsContact O-CE2 3.26Å; H206-F240 WeakPolarHBondContact O-CE2 3.41Å; P208-F240 VanDerWaalsContact CD-CZ 3.43Å; P208-F240 HydrophobicContact CG-CE1 4.27Å; P208-F240 HydrophobicContact CG-CZ 4.28Å
241	C	98.8	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.2	178.7	-55.9	0	0	0	0	110.3	V150 F151 C171 M177	V150-C241 CarbonylContact C-O 3.47Å; V150-C241 VanDerWaalsContact CA-O 3.23Å; V150-C241 WeakPolarHBondContact CA-O 3.06Å; F151-C241 HydrophobicContact CD1-CB 4.11Å; F151-C241 HydrophobicContact CD2-CB 3.96Å; F151-C241 HydrophobicContact CE1-CB 3.63Å; F151-C241 HydrophobicContact CE2-CB 3.47Å; F151-C241 VanDerWaalsContact CE2-CB 3.47Å; F151-C241 HydrophobicContact CG-CB 4.26Å; F151-C241 HydrophobicContact CZ-CB 3.3Å; F151-C241 PolarHBondContact N-O 3.13Å; F151-C241 PolarHBondContact O-N 2.82Å; C171-C241 WeakPolarHBondContact CA-SG 3.31Å; C171-C241 HydrophobicContact CB-CB 3.73Å; C171-C241 WeakPolarHBondContact CB-SG 3.47Å; C171-C241 WeakPolarHBondContact SG-CA 3.48Å; C171-C241 WeakPolarHBondContact SG-CB 3.44Å; C171-C241 CovalentContact SG-SG 2.04Å; C171-C241 PolarHBondContact SG-SG 3.45Å; M177-C241 CarbonylContact O-C 3.54Å; M177-C241 VanDerWaalsContact O-CA 3.26Å; M177-C241 WeakPolarHBondContact O-CA 3.44Å
242	F	98.7	Very high	97.1	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.022	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.2	175.6	173.4	-98.1	0	0	0	109.5	L121 I146 G148 V149 V150 G176 M177 A179 Q183	L121-F242 HydrophobicContact CD2-CD1 4.3Å; L121-F242 HydrophobicContact CD2-CE1 3.98Å; I146-F242 HydrophobicContact CB-CE1 4.3Å; I146-F242 HydrophobicContact CB-CZ 4.29Å; I146-F242 HydrophobicContact CG2-CE1 4.05Å; I146-F242 HydrophobicContact CG2-CZ 4.13Å; I146-F242 WeakPolarHBondContact O-CZ 3.27Å; G148-F242 VanDerWaalsContact CA-CE2 3.41Å; V149-F242 WeakPolarHBondContact O-CA 3.4Å; V150-F242 HydrophobicContact CG2-CD2 4.03Å; G176-F242 CarbonylContact C-O 3.49Å; G176-F242 WeakPolarHBondContact CA-O 3.16Å; M177-F242 HydrophobicContact CG-CD1 4.41Å; M177-F242 PolarHBondContact N-O 2.86Å; M177-F242 PolarHBondContact O-N 3.43Å; A179-F242 HydrophobicContact CB-CB 3.92Å; Q183-F242 HydrophobicContact CB-CD2 4.09Å; Q183-F242 HydrophobicContact CB-CE2 4.41Å; Q183-F242 HydrophobicContact CG-CD2 3.91Å; Q183-F242 HydrophobicContact CG-CE2 3.87Å; Q183-F242 HydrophobicContact CG-CG 4.42Å; Q183-F242 HydrophobicContact CG-CZ 4.38Å; Q183-F242 VanDerWaalsContact OE1-CG 3.26Å
243	T	98.3	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	166.7	171.5	-168.7	0	0	0	0	110.2	G148 V149 F151 D175 G277 A281	G148-T243 CarbonylContact C-O 3.48Å; G148-T243 WeakPolarHBondContact CA-O 3.3Å; V149-T243 HydrophobicContact CG1-CG2 3.68Å; V149-T243 PolarHBondContact N-O 2.61Å; V149-T243 PolarHBondContact O-N 2.83Å; F151-T243 HydrophobicContact CD1-CG2 4.25Å; F151-T243 HydrophobicContact CE1-CG2 3.87Å; D175-T243 VanDerWaalsContact O-CB 3.3Å; D175-T243 WeakPolarHBondContact O-CB 3.45Å; D175-T243 PolarHBondContact O-OG1 3.06Å; T243-G277 WeakPolarHBondContact CG2-O 3.47Å; T243-A281 HydrophobicContact CG2-CB 4.35Å
244	S	97.4	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.			trans	-120.1	-166.3	-179.6	-172.3	0	0	0	0	110.1	R49 L121 E147 I246 A281	R49-S244 PolarHBondContact N-OG 2.9Å; R49-S244 VanDerWaalsContact N-OG 3.13Å; L121-S244 VanDerWaalsContact CD2-CB 3.41Å; E147-S244 VanDerWaalsContact O-CB 3.32Å; E147-S244 WeakPolarHBondContact O-CB 3.49Å; E147-S244 PolarHBondContact O-OG 3.15Å; S244-I246 WeakPolarHBondContact O-CG1 3.35Å; S244-A281 VanDerWaalsContact O-CB 3.29Å; S244-A281 WeakPolarHBondContact O-CB 3.42Å
245	Q	93.6	Very high	96.9	Very high	69 Å²	69	35.2 Å²	35.2	32%	0.322	20%	0.202	S	C	.	.			trans	-63.9	137.4	168.9	-172.7	169.1	8.9	0	0	109.6	F285	Q245-F285 HydrophobicContact CB-CD2 4.19Å; Q245-F285 HydrophobicContact CB-CE2 4.47Å; Q245-F285 HydrophobicContact CB-CG 4.35Å
246	I	91.7	Very high	96.8	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.097	21%	0.213	C	C	.	.			trans	-123.3	138.6	-176.3	-49.2	160.1	0	0	0	107.8	D175 S244 G248 Q278 A281 Y338	D175-I246 HydrophobicContact CB-CD1 4.44Å; D175-I246 WeakPolarHBondContact OD2-CD1 3.44Å; D175-I246 WeakPolarHBondContact OD2-CG1 3.29Å; S244-I246 WeakPolarHBondContact O-CG1 3.35Å; I246-G248 PolarHBondContact O-N 2.96Å; I246-Q278 HydrophobicContact CD1-CB 4.36Å; I246-Q278 HydrophobicContact CD1-CG 3.79Å; I246-A281 HydrophobicContact CD1-CB 3.76Å; I246-A281 HydrophobicContact CG1-CB 4.15Å; I246-Y338 WeakPolarHBondContact CG2-OH 3.38Å
247	P	90.4	Very high	96.7	Very high	115 Å²	115	33 Å²	33	75%	0.747	20%	0.204	S	C	*	.	S	Bend	trans	-70.2	120	176.9	28.1	-35.8	0	0	0	111.2	Y338	P247-Y338 PolarHBondContact O-OH 3.06Å
248	G	93.8	Very high	96.7	Very high	34 Å²	34	32.7 Å²	32.7	35%	0.351	21%	0.205	S	C	.	.	S	Bend	trans	135.5	-168.5	179.5	0	0	0	0	0	111.4	I246 Q286 R339	I246-G248 PolarHBondContact O-N 2.96Å; G248-Q286 PolarHBondContact O-NE2 3.02Å; G248-R339 CarbonylContact C-O 3.57Å; G248-R339 WeakPolarHBondContact CA-O 3.37Å
249	S	96.1	Very high	96.7	Very high	38 Å²	38	34.2 Å²	34.2	27%	0.266	21%	0.211	S	C	.	.			trans	-140.6	135.6	-177.4	57.4	0	0	0	0	112.7	Y338 R339	S249-Y338 WeakPolarHBondContact O-CA 3.47Å; S249-R339 PolarHBondContact N-O 3.48Å; S249-R339 PolarHBondContact O-N 3.4Å
250	V	98.3	Very high	96.7	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135	167.1	177.4	0	0	0	0	108.6	A274 Q278 L279 A282 Y288 Y336 C337 Y338	V250-A274 HydrophobicContact CG1-CB 4.43Å; V250-A274 HydrophobicContact CG2-CB 4.31Å; V250-Q278 HydrophobicContact CG2-CB 4.14Å; V250-L279 HydrophobicContact CG1-CD1 4Å; V250-A282 HydrophobicContact CB-CB 3.84Å; V250-A282 HydrophobicContact CG2-CB 3.76Å; V250-Y288 HydrophobicContact CG1-CE1 4.1Å; V250-Y288 VanDerWaalsContact O-CE2 3.32Å; V250-Y288 WeakPolarHBondContact O-CE2 3.48Å; V250-Y336 HydrophobicContact CG1-CD1 4.05Å; V250-C337 VanDerWaalsContact CA-O 3.31Å; V250-C337 WeakPolarHBondContact CA-O 3.42Å; V250-Y338 HydrophobicContact CG2-CD2 3.73Å; V250-Y338 HydrophobicContact CG2-CE2 4.34Å
251	F	98.3	Very high	96.6	Very high	49 Å²	49	43.9 Å²	43.9	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.3	172.6	64.9	-84.8	0	0	0	111	I253 Q269 S271 Y288 C337 R339	F251-I253 HydrophobicContact CD2-CG1 4.21Å; F251-I253 HydrophobicContact CE2-CD1 4.08Å; F251-I253 HydrophobicContact CE2-CG1 3.88Å; F251-Q269 HydrophobicContact CE2-CB 4.44Å; F251-Q269 HydrophobicContact CZ-CB 4.2Å; F251-S271 WeakPolarHBondContact CZ-OG 3.33Å; F251-Y288 WeakPolarHBondContact CA-OH 3.36Å; F251-C337 HydrophobicContact CD1-CB 4.26Å; F251-C337 HydrophobicContact CD2-CB 4.25Å; F251-C337 HydrophobicContact CE1-CB 3.73Å; F251-C337 HydrophobicContact CE2-CB 3.74Å; F251-C337 HydrophobicContact CZ-CB 3.46Å; F251-C337 VanDerWaalsContact CZ-CB 3.46Å; F251-C337 PolarHBondContact N-O 3.1Å; F251-C337 PolarHBondContact O-N 3.42Å; F251-R339 HydrophobicContact CE1-CG 4.12Å
252	Y	98.5	Very high	96.6	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.6	-177	-173.8	-103.2	0	0	0	111	Y288 Q290 N292 G293 G334 A335 Y336	Y252-Y288 WeakPolarHBondContact CB-OH 3.42Å; Y252-Y288 PolarHBondContact N-OH 2.98Å; Y252-Q290 HydrophobicContact CD1-CG 4.25Å; Y252-Q290 HydrophobicContact CD2-CG 4.03Å; Y252-Q290 HydrophobicContact CE2-CG 4.42Å; Y252-Q290 HydrophobicContact CG-CG 3.91Å; Y252-N292 HydrophobicContact CE1-CB 4.06Å; Y252-N292 HydrophobicContact CE2-CB 4.31Å; Y252-N292 WeakPolarHBondContact OH-CB 3.46Å; Y252-G293 PolarHBondContact OH-O 2.98Å; Y252-G334 WeakPolarHBondContact OH-CA 3.46Å; Y252-G334 PolarHBondContact OH-N 2.01Å; Y252-A335 WeakPolarHBondContact CA-O 3.47Å; Y252-Y336 AromaticContact CD2-CD1 3.83Å; Y252-Y336 HydrophobicContact CD2-CD1 3.83Å; Y252-Y336 HydrophobicContact CD2-CD2 4.31Å; Y252-Y336 AromaticContact CD2-CE1 3.48Å; Y252-Y336 HydrophobicContact CD2-CE1 3.48Å; Y252-Y336 VanDerWaalsContact CD2-CE1 3.48Å; Y252-Y336 AromaticContact CD2-CE2 3.97Å; Y252-Y336 HydrophobicContact CD2-CE2 3.97Å; Y252-Y336 HydrophobicContact CD2-CG 4.22Å; Y252-Y336 AromaticContact CD2-CZ 3.57Å; Y252-Y336 HydrophobicContact CE2-CE1 4.28Å; Y252-Y336 HydrophobicContact CE2-CE2 4.02Å; Y252-Y336 AromaticContact CE2-CZ 3.89Å; Y252-Y336 HydrophobicContact CG-CE1 4.24Å
253	I	98.3	Very high	96.6	Very high	32 Å²	32	45.3 Å²	45.3	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.2	167.9	-55.7	-177.8	0	0	0	108.2	F251 F257 A265 Q269 G334 A335 C337	F251-I253 HydrophobicContact CD2-CG1 4.21Å; F251-I253 HydrophobicContact CE2-CD1 4.08Å; F251-I253 HydrophobicContact CE2-CG1 3.88Å; I253-F257 HydrophobicContact CG2-CE2 3.9Å; I253-F257 HydrophobicContact CG2-CZ 4.19Å; I253-A265 HydrophobicContact CD1-CB 4.25Å; I253-Q269 HydrophobicContact CD1-CG 3.89Å; I253-G334 WeakPolarHBondContact O-CA 3.23Å; I253-A335 HydrophobicContact CB-CB 4.39Å; I253-A335 PolarHBondContact N-O 2.89Å; I253-A335 PolarHBondContact O-N 2.63Å; I253-C337 WeakPolarHBondContact CD1-SG 3Å
254	T	97.1	Very high	96.6	Very high	117 Å²	117	52.3 Å²	52.3	72%	0.718	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	132.2	173.9	-56.2	0	0	0	0	110.6
255	G	93.9	Very high	96.6	Very high	31 Å²	31	53 Å²	53	32%	0.32	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	172.8	175	0	0	0	0	0	111.7	Y333 G334	G255-Y333 CarbonylContact O-C 3.57Å; G255-G334 WeakPolarHBondContact O-CA 3.2Å; G255-G334 PolarHBondContact O-N 2.87Å
256	A	96.2	Very high	96.9	Very high	66 Å²	66	49.7 Å²	49.7	55%	0.545	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	82.3	173	0	0	0	0	0	107.8	L332	A256-L332 HydrophobicContact CB-CB 3.83Å; A256-L332 HydrophobicContact CB-CD1 3.91Å; A256-L332 HydrophobicContact CB-CG 4.46Å
257	F	97.6	Very high	97.2	Very high	44 Å²	44	55.5 Å²	55.5	19%	0.193	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138	-173.3	-55.2	-54.3	0	0	0	111.9	I253 Q261 A262 A265 W295 L332 Y333 A335	I253-F257 HydrophobicContact CG2-CE2 3.9Å; I253-F257 HydrophobicContact CG2-CZ 4.19Å; F257-Q261 HydrophobicContact CB-CB 3.79Å; F257-Q261 HydrophobicContact CD1-CB 4.01Å; F257-Q261 HydrophobicContact CG-CB 4.27Å; F257-A262 HydrophobicContact CB-CB 4.01Å; F257-A265 HydrophobicContact CE2-CB 4.14Å; F257-A265 HydrophobicContact CZ-CB 4.15Å; F257-W295 PolarHBondContact O-NE1 2.96Å; F257-L332 VanDerWaalsContact C-CD2 3.46Å; F257-L332 VanDerWaalsContact O-CA 3.31Å; F257-L332 WeakPolarHBondContact O-CA 3.39Å; F257-Y333 WeakPolarHBondContact CB-O 3.49Å; F257-Y333 PolarHBondContact N-O 2.89Å; F257-Y333 PolarHBondContact O-N 2.79Å; F257-A335 HydrophobicContact CD2-CB 4.48Å
258	S	97.9	Very high	97.5	Very high	18 Å²	18	58.7 Å²	58.7	13%	0.126	31%	0.308	C	S	.	.			trans	-63.8	168.4	154.2	73.4	0	0	0	0	109.9	D260 Q261 A262 K328 L332	S258-D260 VanDerWaalsContact C-N 3.35Å; S258-D260 PolarHBondContact O-N 2.96Å; S258-Q261 PolarHBondContact O-N 3.5Å; S258-Q261 WeakPolarHBondContact OG-CG 3.24Å; S258-Q261 PolarHBondContact OG-N 3.4Å; S258-Q261 PolarHBondContact OG-OE1 3.23Å; S258-A262 PolarHBondContact O-N 2.89Å; S258-K328 WeakPolarHBondContact CB-O 2.91Å; S258-L332 VanDerWaalsContact N-CD2 3.3Å
259	Y	98.2	Very high	97.7	Very high	34 Å²	34	62.9 Å²	62.9	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-56.5	-47.4	179.9	177.5	-97.4	0	0	0	112.3	Q261 A262 V263 L273 W295 L296 K297 K328	Y259-Q261 VanDerWaalsContact C-N 3.32Å; Y259-Q261 PolarHBondContact O-N 3.2Å; Y259-A262 WeakPolarHBondContact O-CB 3.37Å; Y259-A262 PolarHBondContact O-N 2.82Å; Y259-A262 VanDerWaalsContact O-N 3.13Å; Y259-V263 HydrophobicContact CD1-CG2 4.23Å; Y259-V263 HydrophobicContact CE1-CG2 3.76Å; Y259-V263 WeakPolarHBondContact O-CG2 3.42Å; Y259-V263 PolarHBondContact O-N 2.82Å; Y259-L273 HydrophobicContact CD2-CD1 4.37Å; Y259-L273 HydrophobicContact CE2-CD1 3.71Å; Y259-W295 HydrophobicContact CD2-CB 4.5Å; Y259-W295 HydrophobicContact CD2-CD2 4.13Å; Y259-W295 AromaticContact CD2-CE3 3.84Å; Y259-W295 HydrophobicContact CD2-CE3 3.84Å; Y259-W295 HydrophobicContact CD2-CG 4.45Å; Y259-W295 HydrophobicContact CD2-CZ3 4.41Å; Y259-L296 WeakPolarHBondContact CE2-O 3.32Å; Y259-K297 PolarHBondContact OH-O 3.18Å; Y259-K328 HydrophobicContact CD1-CD 3.99Å; Y259-K328 HydrophobicContact CD2-CD 4.49Å; Y259-K328 HydrophobicContact CG-CB 4.44Å; Y259-K328 HydrophobicContact CG-CD 3.94Å; Y259-K328 HydrophobicContact CG-CG 4.13Å; Y259-K328 PolarHBondContact N-O 3.14Å
260	D	97.8	Very high	97.8	Very high	109 Å²	109	64.5 Å²	64.5	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-66.8	-35.2	-178.8	-65.3	-32.4	0	0	0	112.2	S258 A262 V263 Y264	S258-D260 VanDerWaalsContact C-N 3.35Å; S258-D260 PolarHBondContact O-N 2.96Å; D260-A262 VanDerWaalsContact C-N 3.34Å; D260-V263 PolarHBondContact O-N 3.36Å; D260-Y264 PolarHBondContact O-N 3.05Å
261	Q	98.1	Very high	97.7	Very high	96 Å²	96	64.7 Å²	64.7	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-38.4	173.1	-72.7	174.6	-28	0	0	111.5	F257 S258 Y259 Y264 A265	F257-Q261 HydrophobicContact CB-CB 3.79Å; F257-Q261 HydrophobicContact CD1-CB 4.01Å; F257-Q261 HydrophobicContact CG-CB 4.27Å; S258-Q261 PolarHBondContact O-N 3.5Å; S258-Q261 WeakPolarHBondContact OG-CG 3.24Å; S258-Q261 PolarHBondContact OG-N 3.4Å; S258-Q261 PolarHBondContact OG-OE1 3.23Å; Y259-Q261 VanDerWaalsContact C-N 3.32Å; Y259-Q261 PolarHBondContact O-N 3.2Å; Q261-Y264 PolarHBondContact O-N 2.96Å; Q261-A265 WeakPolarHBondContact O-CB 3.37Å; Q261-A265 PolarHBondContact O-N 3.25Å
262	A	98.4	Very high	97.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-41.7	176	0	0	0	0	0	111.8	F257 S258 Y259 D260 Y264 A265 C266 L273 W295 A335	F257-A262 HydrophobicContact CB-CB 4.01Å; S258-A262 PolarHBondContact O-N 2.89Å; Y259-A262 WeakPolarHBondContact O-CB 3.37Å; Y259-A262 PolarHBondContact O-N 2.82Å; Y259-A262 VanDerWaalsContact O-N 3.13Å; D260-A262 VanDerWaalsContact C-N 3.34Å; A262-Y264 VanDerWaalsContact C-N 3.33Å; A262-Y264 PolarHBondContact O-N 3.29Å; A262-A265 PolarHBondContact O-N 3.36Å; A262-C266 PolarHBondContact O-N 3.47Å; A262-C266 VanDerWaalsContact O-N 3.08Å; A262-L273 HydrophobicContact CB-CD2 4.16Å; A262-W295 HydrophobicContact CB-CB 3.89Å; A262-W295 HydrophobicContact CB-CG 3.98Å; A262-A335 HydrophobicContact CB-CB 3.81Å
263	V	98.5	Very high	97.8	Very high	35 Å²	35	63.4 Å²	63.4	21%	0.212	35%	0.348	C	S	.	.	H	α-helix	trans	-56.4	-48.9	171.7	173.4	0	0	0	0	110.5	Y259 D260 C266 K267 L273	Y259-V263 HydrophobicContact CD1-CG2 4.23Å; Y259-V263 HydrophobicContact CE1-CG2 3.76Å; Y259-V263 WeakPolarHBondContact O-CG2 3.42Å; Y259-V263 PolarHBondContact O-N 2.82Å; D260-V263 PolarHBondContact O-N 3.36Å; V263-C266 PolarHBondContact O-N 3.44Å; V263-K267 HydrophobicContact CG1-CD 4.2Å; V263-K267 WeakPolarHBondContact O-CG 3.18Å; V263-K267 PolarHBondContact O-N 3.17Å; V263-K267 VanDerWaalsContact O-N 3.09Å; V263-L273 HydrophobicContact CB-CD1 4.42Å; V263-L273 HydrophobicContact CG2-CD1 3.47Å; V263-L273 VanDerWaalsContact CG2-CD1 3.47Å; V263-L273 HydrophobicContact CG2-CG 4.27Å
264	Y	98.3	Very high	97.8	Very high	147 Å²	147	61.9 Å²	61.9	58%	0.576	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-39	179.7	-176.9	-105.2	0	0	0	112.4	D260 Q261 A262 K267 R268	D260-Y264 PolarHBondContact O-N 3.05Å; Q261-Y264 PolarHBondContact O-N 2.96Å; A262-Y264 VanDerWaalsContact C-N 3.33Å; A262-Y264 PolarHBondContact O-N 3.29Å; Y264-K267 PolarHBondContact O-N 3.48Å; Y264-R268 HydrophobicContact CD1-CG 4.28Å; Y264-R268 HydrophobicContact CE1-CG 3.85Å; Y264-R268 HydrophobicContact CE2-CG 4.33Å; Y264-R268 PolarHBondContact O-N 3.03Å
265	A	98.2	Very high	97.9	Very high	14 Å²	14	57.4 Å²	57.4	12%	0.116	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-45.9	177.4	0	0	0	0	0	112.1	I253 F257 Q261 A262 R268	I253-A265 HydrophobicContact CD1-CB 4.25Å; F257-A265 HydrophobicContact CE2-CB 4.14Å; F257-A265 HydrophobicContact CZ-CB 4.15Å; Q261-A265 WeakPolarHBondContact O-CB 3.37Å; Q261-A265 PolarHBondContact O-N 3.25Å; A262-A265 PolarHBondContact O-N 3.36Å; A265-R268 PolarHBondContact O-N 2.89Å
266	C	98.5	Very high	98.1	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-44.6	174.5	-63.3	0	0	0	0	111.7	A262 V263 R268 Q269 G270 S271 L273 C337	A262-C266 PolarHBondContact O-N 3.47Å; A262-C266 VanDerWaalsContact O-N 3.08Å; V263-C266 PolarHBondContact O-N 3.44Å; C266-R268 VanDerWaalsContact C-N 3.29Å; C266-R268 PolarHBondContact O-N 3.09Å; C266-Q269 CarbonylContact O-C 3.56Å; C266-Q269 WeakPolarHBondContact O-CA 3.28Å; C266-Q269 PolarHBondContact O-N 3.04Å; C266-G270 PolarHBondContact O-N 3.03Å; C266-S271 CarbonylContact C-O 3.26Å; C266-S271 VanDerWaalsContact C-OG 3.31Å; C266-S271 WeakPolarHBondContact CA-OG 3.31Å; C266-S271 WeakPolarHBondContact CB-OG 3.45Å; C266-S271 CarbonylContact O-C 3.3Å; C266-S271 PolarHBondContact O-N 3.33Å; C266-S271 VanDerWaalsContact O-O 3.04Å; C266-S271 PolarHBondContact O-OG 2.89Å; C266-L273 VanDerWaalsContact SG-CD2 3.55Å; C266-C337 WeakPolarHBondContact CA-SG 3.31Å; C266-C337 HydrophobicContact CB-CB 3.77Å; C266-C337 WeakPolarHBondContact CB-SG 3.21Å; C266-C337 VanDerWaalsContact SG-CA 3.59Å; C266-C337 WeakPolarHBondContact SG-CB 3.44Å; C266-C337 CovalentContact SG-SG 2.03Å; C266-C337 PolarHBondContact SG-SG 3.24Å
267	K	98.4	Very high	98.2	Very high	142 Å²	142	52.8 Å²	52.8	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-58.4	-40.1	179.7	-77.6	-178.9	178.2	-178.1	0	112.5	V263 Y264 Q269 G270 S271	V263-K267 HydrophobicContact CG1-CD 4.2Å; V263-K267 WeakPolarHBondContact O-CG 3.18Å; V263-K267 PolarHBondContact O-N 3.17Å; V263-K267 VanDerWaalsContact O-N 3.09Å; Y264-K267 PolarHBondContact O-N 3.48Å; K267-Q269 PolarHBondContact O-N 3.06Å; K267-G270 PolarHBondContact O-N 2.92Å; K267-S271 VanDerWaalsContact CA-O 3.29Å; K267-S271 WeakPolarHBondContact CA-O 3.39Å; K267-S271 PolarHBondContact N-O 3.11Å
268	R	97.8	Very high	98.2	Very high	181 Å²	181	51.8 Å²	51.8	68%	0.683	27%	0.266	S	S	*	.	H	α-helix	trans	-61	-24.1	175.7	-79.9	-173.4	61.5	-172.2	3.9	113.9	Y264 A265 C266 G270	Y264-R268 HydrophobicContact CD1-CG 4.28Å; Y264-R268 HydrophobicContact CE1-CG 3.85Å; Y264-R268 HydrophobicContact CE2-CG 4.33Å; Y264-R268 PolarHBondContact O-N 3.03Å; A265-R268 PolarHBondContact O-N 2.89Å; C266-R268 VanDerWaalsContact C-N 3.29Å; C266-R268 PolarHBondContact O-N 3.09Å; R268-G270 VanDerWaalsContact C-N 3.34Å
269	Q	97.1	Very high	98.3	Very high	123 Å²	123	51 Å²	51	58%	0.575	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	13.7	175.9	-62.2	-63.5	-22.7	0	0	112.7	F251 I253 C266 K267 S271	F251-Q269 HydrophobicContact CE2-CB 4.44Å; F251-Q269 HydrophobicContact CZ-CB 4.2Å; I253-Q269 HydrophobicContact CD1-CG 3.89Å; C266-Q269 CarbonylContact O-C 3.56Å; C266-Q269 WeakPolarHBondContact O-CA 3.28Å; C266-Q269 PolarHBondContact O-N 3.04Å; K267-Q269 PolarHBondContact O-N 3.06Å; Q269-S271 VanDerWaalsContact C-N 3.26Å; Q269-S271 PolarHBondContact O-N 3.26Å
270	G	97.6	Very high	98.3	Very high	72 Å²	72	50.1 Å²	50.1	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	28.5	-177.2	0	0	0	0	0	113.2	C266 K267 R268	C266-G270 PolarHBondContact O-N 3.03Å; K267-G270 PolarHBondContact O-N 2.92Å; R268-G270 VanDerWaalsContact C-N 3.34Å
271	S	98.1	Very high	98.3	Very high	11 Å²	11	45.1 Å²	45.1	8%	0.077	23%	0.231	C	C	.	.			trans	-131.9	170.2	-174.6	66.3	0	0	0	0	111.4	F251 C266 K267 Q269 C337 Y338	F251-S271 WeakPolarHBondContact CZ-OG 3.33Å; C266-S271 CarbonylContact C-O 3.26Å; C266-S271 VanDerWaalsContact C-OG 3.31Å; C266-S271 WeakPolarHBondContact CA-OG 3.31Å; C266-S271 WeakPolarHBondContact CB-OG 3.45Å; C266-S271 CarbonylContact O-C 3.3Å; C266-S271 PolarHBondContact O-N 3.33Å; C266-S271 VanDerWaalsContact O-O 3.04Å; C266-S271 PolarHBondContact O-OG 2.89Å; K267-S271 VanDerWaalsContact CA-O 3.29Å; K267-S271 WeakPolarHBondContact CA-O 3.39Å; K267-S271 PolarHBondContact N-O 3.11Å; Q269-S271 VanDerWaalsContact C-N 3.26Å; Q269-S271 PolarHBondContact O-N 3.26Å; S271-C337 WeakPolarHBondContact OG-CB 3.49Å; S271-Y338 VanDerWaalsContact CB-O 3.3Å; S271-Y338 WeakPolarHBondContact CB-O 3.42Å
272	A	98.4	Very high	98.3	Very high	51 Å²	51	40.7 Å²	40.7	42%	0.421	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	164.5	171.1	0	0	0	0	0	110.2	A274 C337 Y338	A272-A274 PolarHBondContact O-N 2.9Å; A272-C337 CarbonylContact O-C 3.44Å; A272-C337 WeakPolarHBondContact O-CA 3.36Å; A272-Y338 PolarHBondContact N-O 3.04Å; A272-Y338 PolarHBondContact O-N 3.49Å
273	L	98.8	Very high	98.2	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	136.5	166.1	-74.7	174.5	0	0	0	109.4	Y259 A262 V263 C266 W295 K297 A335 Y336	Y259-L273 HydrophobicContact CD2-CD1 4.37Å; Y259-L273 HydrophobicContact CE2-CD1 3.71Å; A262-L273 HydrophobicContact CB-CD2 4.16Å; V263-L273 HydrophobicContact CB-CD1 4.42Å; V263-L273 HydrophobicContact CG2-CD1 3.47Å; V263-L273 VanDerWaalsContact CG2-CD1 3.47Å; V263-L273 HydrophobicContact CG2-CG 4.27Å; C266-L273 VanDerWaalsContact SG-CD2 3.55Å; L273-W295 HydrophobicContact CD2-CB 4.3Å; L273-K297 HydrophobicContact CB-CB 3.96Å; L273-K297 HydrophobicContact CB-CG 4.43Å; L273-A335 HydrophobicContact CD2-CB 3.99Å; L273-Y336 WeakPolarHBondContact CA-O 3.45Å
274	A	98.8	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.6	146.9	179.3	0	0	0	0	0	111	V250 A272 L296 K297 Y336	V250-A274 HydrophobicContact CG1-CB 4.43Å; V250-A274 HydrophobicContact CG2-CB 4.31Å; A272-A274 PolarHBondContact O-N 2.9Å; A274-L296 HydrophobicContact CB-CD2 3.85Å; A274-L296 WeakPolarHBondContact O-CD2 3.12Å; A274-K297 PolarHBondContact O-N 3.19Å; A274-Y336 PolarHBondContact N-O 2.76Å
275	L	98.8	Very high	98	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.12	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-73.9	160.2	166.7	-61	178.1	0	0	0	110.5	E173 D175 Q278 L279 K297	E173-L275 WeakPolarHBondContact O-CD2 3.24Å; D175-L275 HydrophobicContact CB-CD1 3.8Å; L275-Q278 HydrophobicContact CB-CB 4.26Å; L275-Q278 HydrophobicContact CB-CG 4Å; L275-Q278 WeakPolarHBondContact O-CB 3.33Å; L275-Q278 PolarHBondContact O-N 3.15Å; L275-L279 PolarHBondContact O-N 2.86Å; L275-L279 VanDerWaalsContact O-N 3.11Å; L275-K297 HydrophobicContact CD2-CB 4.03Å; L275-K297 HydrophobicContact CD2-CD 3.45Å; L275-K297 VanDerWaalsContact CD2-CD 3.45Å; L275-K297 HydrophobicContact CD2-CG 4.35Å
276	V	98.6	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-46.5	175.6	175.1	0	0	0	0	111.1	F151 Y153 Q174 Q278 L279 Y280 L296 D298	F151-V276 HydrophobicContact CD2-CG1 3.77Å; F151-V276 HydrophobicContact CE2-CB 4.33Å; F151-V276 HydrophobicContact CE2-CG1 3.66Å; F151-V276 HydrophobicContact CZ-CG1 4.47Å; Y153-V276 HydrophobicContact CD2-CG1 4.4Å; Y153-V276 HydrophobicContact CE2-CB 4.44Å; Y153-V276 HydrophobicContact CE2-CG2 4.06Å; Q174-V276 HydrophobicContact CB-CB 4.27Å; Q174-V276 HydrophobicContact CG-CB 4.2Å; Q174-V276 HydrophobicContact CG-CG2 4.5Å; V276-Q278 VanDerWaalsContact C-N 3.28Å; V276-Q278 PolarHBondContact O-N 2.79Å; V276-L279 PolarHBondContact O-N 3.12Å; V276-L279 VanDerWaalsContact O-N 3.12Å; V276-Y280 HydrophobicContact CG1-CD2 3.8Å; V276-Y280 HydrophobicContact CG1-CE2 3.8Å; V276-Y280 WeakPolarHBondContact O-CD2 3.23Å; V276-Y280 PolarHBondContact O-N 2.76Å; V276-L296 HydrophobicContact CG2-CD1 3.82Å; V276-D298 VanDerWaalsContact CG2-OD2 3.24Å; V276-D298 WeakPolarHBondContact CG2-OD2 3.42Å
277	G	98.3	Very high	97.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-38.3	177.8	0	0	0	0	0	112.4	Q174 T243 L279 Y280 A281	Q174-G277 WeakPolarHBondContact O-CA 3.35Å; Q174-G277 PolarHBondContact O-N 2.88Å; Q174-G277 VanDerWaalsContact O-N 3.08Å; T243-G277 WeakPolarHBondContact CG2-O 3.47Å; G277-L279 PolarHBondContact O-N 3.19Å; G277-Y280 PolarHBondContact O-N 2.64Å; G277-A281 WeakPolarHBondContact O-CB 3.2Å; G277-A281 PolarHBondContact O-N 2.8Å
278	Q	98.6	Very high	97.8	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-42.4	174.1	-69.9	169.7	-15.5	0	0	112.5	I246 V250 L275 V276 A281 A282 Y338	I246-Q278 HydrophobicContact CD1-CB 4.36Å; I246-Q278 HydrophobicContact CD1-CG 3.79Å; V250-Q278 HydrophobicContact CG2-CB 4.14Å; L275-Q278 HydrophobicContact CB-CB 4.26Å; L275-Q278 HydrophobicContact CB-CG 4Å; L275-Q278 WeakPolarHBondContact O-CB 3.33Å; L275-Q278 PolarHBondContact O-N 3.15Å; V276-Q278 VanDerWaalsContact C-N 3.28Å; V276-Q278 PolarHBondContact O-N 2.79Å; Q278-A281 PolarHBondContact O-N 3.11Å; Q278-A282 WeakPolarHBondContact O-CB 3.41Å; Q278-A282 PolarHBondContact O-N 2.87Å; Q278-Y338 HydrophobicContact CB-CD2 3.93Å; Q278-Y338 HydrophobicContact CB-CE2 4.06Å; Q278-Y338 VanDerWaalsContact CD-CG 3.47Å; Q278-Y338 HydrophobicContact CG-CD2 3.94Å; Q278-Y338 HydrophobicContact CG-CE2 3.81Å; Q278-Y338 HydrophobicContact CG-CG 4.35Å; Q278-Y338 VanDerWaalsContact NE2-CD1 3.34Å; Q278-Y338 VanDerWaalsContact NE2-CE1 3.33Å; Q278-Y338 VanDerWaalsContact OE1-CG 3.23Å
279	L	98.7	Very high	97.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-43.3	176.1	-173.6	66.6	0	0	0	111.9	V250 L275 V276 G277 A282 W283 Y288 L296 R302 P304 V320 Y336	V250-L279 HydrophobicContact CG1-CD1 4Å; L275-L279 PolarHBondContact O-N 2.86Å; L275-L279 VanDerWaalsContact O-N 3.11Å; V276-L279 PolarHBondContact O-N 3.12Å; V276-L279 VanDerWaalsContact O-N 3.12Å; G277-L279 PolarHBondContact O-N 3.19Å; L279-A282 PolarHBondContact O-N 2.84Å; L279-W283 WeakPolarHBondContact O-CB 3.32Å; L279-W283 PolarHBondContact O-N 2.84Å; L279-Y288 HydrophobicContact CD1-CD1 4.44Å; L279-Y288 HydrophobicContact CD1-CE1 4.48Å; L279-L296 HydrophobicContact CB-CD2 4.29Å; L279-L296 HydrophobicContact CD2-CD1 3.84Å; L279-L296 HydrophobicContact CD2-CD2 4.17Å; L279-L296 HydrophobicContact CD2-CG 4.47Å; L279-R302 HydrophobicContact CD2-CB 3.84Å; L279-P304 HydrophobicContact CD1-CB 4.43Å; L279-P304 HydrophobicContact CD1-CG 3.88Å; L279-V320 HydrophobicContact CD2-CG1 3.74Å; L279-V320 HydrophobicContact CG-CG1 4.37Å; L279-Y336 HydrophobicContact CD1-CD1 3.85Å; L279-Y336 HydrophobicContact CD1-CE1 4.11Å; L279-Y336 HydrophobicContact CD1-CG 4.13Å
280	Y	98.4	Very high	97.6	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-40.1	176.7	-87.8	-90.3	0	0	0	112.3	V149 F151 V276 G277 W283 R284 V320	V149-Y280 HydrophobicContact CG2-CD1 4.21Å; F151-Y280 HydrophobicContact CB-CD1 3.52Å; F151-Y280 HydrophobicContact CB-CD2 3.59Å; F151-Y280 HydrophobicContact CB-CE1 3.38Å; F151-Y280 HydrophobicContact CB-CE2 3.47Å; F151-Y280 VanDerWaalsContact CB-CE2 3.47Å; F151-Y280 HydrophobicContact CB-CG 3.61Å; F151-Y280 HydrophobicContact CD1-CD2 4.28Å; F151-Y280 HydrophobicContact CD1-CG 4.2Å; F151-Y280 HydrophobicContact CD2-CD2 4.14Å; F151-Y280 HydrophobicContact CD2-CE2 4.12Å; F151-Y280 HydrophobicContact CG-CD1 4.39Å; F151-Y280 AromaticContact CG-CD2 3.78Å; F151-Y280 HydrophobicContact CG-CD2 3.78Å; F151-Y280 AromaticContact CG-CE2 3.96Å; F151-Y280 HydrophobicContact CG-CE2 3.96Å; F151-Y280 AromaticContact CG-CG 4Å; F151-Y280 HydrophobicContact CG-CG 4Å; V276-Y280 HydrophobicContact CG1-CD2 3.8Å; V276-Y280 HydrophobicContact CG1-CE2 3.8Å; V276-Y280 WeakPolarHBondContact O-CD2 3.23Å; V276-Y280 PolarHBondContact O-N 2.76Å; G277-Y280 PolarHBondContact O-N 2.64Å; Y280-W283 HydrophobicContact CD1-CE3 4.34Å; Y280-W283 PolarHBondContact O-N 2.91Å; Y280-R284 WeakPolarHBondContact O-CB 3.38Å; Y280-R284 PolarHBondContact O-N 2.87Å; Y280-V320 HydrophobicContact CD1-CB 4.18Å; Y280-V320 HydrophobicContact CD1-CG2 3.7Å; Y280-V320 HydrophobicContact CD2-CB 4.32Å; Y280-V320 HydrophobicContact CD2-CG1 4.44Å; Y280-V320 HydrophobicContact CD2-CG2 4.12Å; Y280-V320 HydrophobicContact CE1-CB 3.69Å; Y280-V320 HydrophobicContact CE1-CG2 3.73Å; Y280-V320 HydrophobicContact CE2-CB 3.83Å; Y280-V320 HydrophobicContact CE2-CG1 3.94Å; Y280-V320 HydrophobicContact CE2-CG2 4.14Å; Y280-V320 HydrophobicContact CG-CB 4.49Å; Y280-V320 HydrophobicContact CG-CG2 3.92Å; Y280-V320 VanDerWaalsContact CZ-CB 3.5Å
281	A	98	Very high	97.4	Very high	5 Å²	5	33 Å²	33	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-46.9	175.1	0	0	0	0	0	111.3	T243 S244 I246 G277 Q278 W283 R284 F285	T243-A281 HydrophobicContact CG2-CB 4.35Å; S244-A281 VanDerWaalsContact O-CB 3.29Å; S244-A281 WeakPolarHBondContact O-CB 3.42Å; I246-A281 HydrophobicContact CD1-CB 3.76Å; I246-A281 HydrophobicContact CG1-CB 4.15Å; G277-A281 WeakPolarHBondContact O-CB 3.2Å; G277-A281 PolarHBondContact O-N 2.8Å; Q278-A281 PolarHBondContact O-N 3.11Å; A281-W283 PolarHBondContact O-N 2.92Å; A281-R284 PolarHBondContact O-N 3.5Å; A281-F285 HydrophobicContact CB-CD2 4.33Å; A281-F285 WeakPolarHBondContact O-CB 3.39Å; A281-F285 VanDerWaalsContact O-CD2 3.31Å; A281-F285 WeakPolarHBondContact O-CD2 3.31Å; A281-F285 PolarHBondContact O-N 3.31Å
282	A	98.1	Very high	97.2	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-44.9	176	0	0	0	0	0	111.8	V250 Q278 L279 R284 Q286 K287 Y288	V250-A282 HydrophobicContact CB-CB 3.84Å; V250-A282 HydrophobicContact CG2-CB 3.76Å; Q278-A282 WeakPolarHBondContact O-CB 3.41Å; Q278-A282 PolarHBondContact O-N 2.87Å; L279-A282 PolarHBondContact O-N 2.84Å; A282-R284 PolarHBondContact O-N 2.87Å; A282-Q286 CarbonylContact O-C 3.56Å; A282-Q286 VanDerWaalsContact O-CA 3.32Å; A282-Q286 WeakPolarHBondContact O-CA 3.36Å; A282-Q286 VanDerWaalsContact O-CB 3.28Å; A282-Q286 WeakPolarHBondContact O-CB 3.5Å; A282-Q286 PolarHBondContact O-N 2.97Å; A282-K287 PolarHBondContact O-N 3.4Å; A282-Y288 HydrophobicContact CB-CG 4.32Å; A282-Y288 WeakPolarHBondContact O-CB 3.45Å; A282-Y288 PolarHBondContact O-N 2.96Å; A282-Y288 VanDerWaalsContact O-N 3.16Å
283	W	97.4	Very high	97.1	Very high	44 Å²	44	34.6 Å²	34.6	17%	0.167	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-47.5	175.1	168.9	75.4	0	0	0	112.2	V149 L279 Y280 A281 K287 P304 I305 A318 G319 V320	V149-W283 HydrophobicContact CG2-CE3 4.4Å; V149-W283 HydrophobicContact CG2-CZ3 3.95Å; L279-W283 WeakPolarHBondContact O-CB 3.32Å; L279-W283 PolarHBondContact O-N 2.84Å; Y280-W283 HydrophobicContact CD1-CE3 4.34Å; Y280-W283 PolarHBondContact O-N 2.91Å; A281-W283 PolarHBondContact O-N 2.92Å; W283-K287 WeakPolarHBondContact O-CA 3.28Å; W283-P304 HydrophobicContact CB-CB 3.96Å; W283-P304 HydrophobicContact CG-CB 4.17Å; W283-I305 PolarHBondContact NE1-O 2.94Å; W283-A318 HydrophobicContact CZ2-CB 4.22Å; W283-G319 VanDerWaalsContact CZ2-CA 3.45Å; W283-V320 HydrophobicContact CB-CG2 3.97Å; W283-V320 HydrophobicContact CD2-CG2 4.13Å; W283-V320 HydrophobicContact CE3-CG2 4.4Å; W283-V320 HydrophobicContact CG-CG2 3.93Å
284	R	96.6	Very high	97	Very high	73 Å²	73	34.1 Å²	34.1	28%	0.275	16%	0.163	S	C	.	.	H	α-helix	trans	-72.7	-47	-175.2	-174	63.7	171.2	93.6	-9.5	113.1	V149 E190 Y280 A281 A282 K287	V149-R284 HydrophobicContact CB-CB 4.13Å; V149-R284 HydrophobicContact CB-CG 4.13Å; V149-R284 HydrophobicContact CG1-CB 4.32Å; V149-R284 HydrophobicContact CG2-CB 4.39Å; E190-R284 IonicContact OE1-NH2 3.9Å; E190-R284 PolarHBondContact OE1-NH2 3.22Å; E190-R284 IonicContact OE2-CZ 2.84Å; E190-R284 IonicContact OE2-NE 3.8Å; E190-R284 IonicContact OE2-NH2 3.69Å; E190-R284 PolarHBondContact OE2-NH2 3.19Å; Y280-R284 WeakPolarHBondContact O-CB 3.38Å; Y280-R284 PolarHBondContact O-N 2.87Å; A281-R284 PolarHBondContact O-N 3.5Å; A282-R284 PolarHBondContact O-N 2.87Å; R284-K287 PolarHBondContact O-NZ 2.85Å
285	F	95.8	Very high	97	Very high	54 Å²	54	34.1 Å²	34.1	24%	0.237	16%	0.163	C	C	.	.	H	α-helix	trans	-100.4	-33	-167.3	-62.8	-68.3	0	0	0	113.6	Q245 A281	Q245-F285 HydrophobicContact CB-CD2 4.19Å; Q245-F285 HydrophobicContact CB-CE2 4.47Å; Q245-F285 HydrophobicContact CB-CG 4.35Å; A281-F285 HydrophobicContact CB-CD2 4.33Å; A281-F285 WeakPolarHBondContact O-CB 3.39Å; A281-F285 VanDerWaalsContact O-CD2 3.31Å; A281-F285 WeakPolarHBondContact O-CD2 3.31Å; A281-F285 PolarHBondContact O-N 3.31Å
286	Q	95.9	Very high	97	Very high	86 Å²	86	33 Å²	33	40%	0.402	16%	0.157	S	C	.	.	S	Bend	trans	-99.5	1.6	179.3	-52.6	178.7	10.5	0	0	112.2	G248 A282 Y288	G248-Q286 PolarHBondContact O-NE2 3.02Å; A282-Q286 CarbonylContact O-C 3.56Å; A282-Q286 VanDerWaalsContact O-CA 3.32Å; A282-Q286 WeakPolarHBondContact O-CA 3.36Å; A282-Q286 VanDerWaalsContact O-CB 3.28Å; A282-Q286 WeakPolarHBondContact O-CB 3.5Å; A282-Q286 PolarHBondContact O-N 2.97Å; Q286-Y288 PolarHBondContact O-N 3.14Å
287	K	96.1	Very high	97	Very high	125 Å²	125	38.7 Å²	38.7	54%	0.543	18%	0.182	S	C	.	.			trans	52.3	37	-174.6	-55.3	-56.4	-175	-170.8	0	112.1	A282 W283 R284 D289 V306	A282-K287 PolarHBondContact O-N 3.4Å; W283-K287 WeakPolarHBondContact O-CA 3.28Å; R284-K287 PolarHBondContact O-NZ 2.85Å; K287-D289 PolarHBondContact O-N 2.95Å; K287-V306 HydrophobicContact CD-CG1 4.32Å
288	Y	97.3	Very high	97	Very high	42 Å²	42	39.5 Å²	39.5	17%	0.165	19%	0.186	C	C	.	.			trans	-70.2	119.7	-177.4	-169.2	-98.5	0	0	0	111.1	V250 F251 Y252 L279 A282 Q286 Q290 P304 Y336	V250-Y288 HydrophobicContact CG1-CE1 4.1Å; V250-Y288 VanDerWaalsContact O-CE2 3.32Å; V250-Y288 WeakPolarHBondContact O-CE2 3.48Å; F251-Y288 WeakPolarHBondContact CA-OH 3.36Å; Y252-Y288 WeakPolarHBondContact CB-OH 3.42Å; Y252-Y288 PolarHBondContact N-OH 2.98Å; L279-Y288 HydrophobicContact CD1-CD1 4.44Å; L279-Y288 HydrophobicContact CD1-CE1 4.48Å; A282-Y288 HydrophobicContact CB-CG 4.32Å; A282-Y288 WeakPolarHBondContact O-CB 3.45Å; A282-Y288 PolarHBondContact O-N 2.96Å; A282-Y288 VanDerWaalsContact O-N 3.16Å; Q286-Y288 PolarHBondContact O-N 3.14Å; Y288-Q290 HydrophobicContact CE1-CB 4.2Å; Y288-P304 HydrophobicContact CD1-CG 3.7Å; Y288-P304 HydrophobicContact CE1-CG 4.03Å; Y288-Y336 HydrophobicContact CE1-CD1 4.08Å; Y288-Y336 AromaticContact CE1-CE1 3.79Å; Y288-Y336 HydrophobicContact CE1-CE1 3.79Å
289	D	95.4	Very high	96.9	Very high	45 Å²	45	38.4 Å²	38.4	24%	0.241	18%	0.181	C	C	.	.			trans	-127	120.5	-173.2	-178.8	-84.2	0	0	0	110.1	K287 I305 V306 S307 R309	K287-D289 PolarHBondContact O-N 2.95Å; D289-I305 WeakPolarHBondContact OD2-CA 3.44Å; D289-V306 HydrophobicContact CB-CB 4.1Å; D289-V306 HydrophobicContact CB-CG2 4.1Å; D289-V306 PolarHBondContact OD2-N 3.23Å; D289-S307 PolarHBondContact OD2-N 2.91Å; D289-R309 IonicContact OD1-CZ 2.68Å; D289-R309 IonicContact OD1-NH1 2.74Å; D289-R309 PolarHBondContact OD1-NH1 3.35Å; D289-R309 IonicContact OD1-NH2 3.14Å; D289-R309 PolarHBondContact OD1-NH2 2.91Å; D289-R309 IonicContact OD2-CZ 3.36Å; D289-R309 IonicContact OD2-NH2 3.13Å; D289-R309 PolarHBondContact OD2-NH2 3.29Å; D289-R309 VanDerWaalsContact OD2-NH2 3.12Å
290	Q	95.6	Very high	96.9	Very high	45 Å²	45	38.4 Å²	38.4	21%	0.21	18%	0.181	C	C	.	.			trans	-148.1	117	179.4	-175.2	68.6	38.7	0	0	110.1	Y252 Y288 N292 P304 Y336	Y252-Q290 HydrophobicContact CD1-CG 4.25Å; Y252-Q290 HydrophobicContact CD2-CG 4.03Å; Y252-Q290 HydrophobicContact CE2-CG 4.42Å; Y252-Q290 HydrophobicContact CG-CG 3.91Å; Y288-Q290 HydrophobicContact CE1-CB 4.2Å; Q290-N292 VanDerWaalsContact C-N 3.26Å; Q290-N292 HydrophobicContact CG-CB 4.49Å; Q290-N292 PolarHBondContact NE2-OD1 2.97Å; Q290-N292 PolarHBondContact O-N 3.46Å; Q290-P304 CarbonylContact C-O 3.53Å; Q290-P304 HydrophobicContact CB-CG 4.18Å; Q290-P304 PolarHBondContact N-O 2.77Å; Q290-Y336 HydrophobicContact CB-CE1 4.02Å; Q290-Y336 WeakPolarHBondContact CB-OH 3.37Å; Q290-Y336 HydrophobicContact CG-CE1 4Å; Q290-Y336 WeakPolarHBondContact CG-OH 2.96Å
291	C	93	Very high	96.9	Very high	39 Å²	39	37.7 Å²	37.7	26%	0.264	18%	0.178	S	C	.	.			trans	-81.6	3.9	-175.8	179.2	0	0	0	0	114.3	C312	C291-C312 HydrophobicContact CB-CB 3.87Å; C291-C312 WeakPolarHBondContact CB-SG 3.12Å; C291-C312 WeakPolarHBondContact SG-CA 3.4Å; C291-C312 WeakPolarHBondContact SG-CB 3.35Å; C291-C312 CovalentContact SG-SG 2.01Å; C291-C312 PolarHBondContact SG-SG 3.19Å
292	N	94.1	Very high	96.9	Very high	83 Å²	83	37.9 Å²	37.9	44%	0.444	18%	0.178	S	C	.	.	S	Bend	trans	-108	135.8	-176.9	-58.9	99.6	0	0	0	111.1	Y252 Q290 G294 F303 Y336	Y252-N292 HydrophobicContact CE1-CB 4.06Å; Y252-N292 HydrophobicContact CE2-CB 4.31Å; Y252-N292 WeakPolarHBondContact OH-CB 3.46Å; Q290-N292 VanDerWaalsContact C-N 3.26Å; Q290-N292 HydrophobicContact CG-CB 4.49Å; Q290-N292 PolarHBondContact NE2-OD1 2.97Å; Q290-N292 PolarHBondContact O-N 3.46Å; N292-G294 PolarHBondContact O-N 2.7Å; N292-F303 WeakPolarHBondContact O-CB 3.18Å; N292-Y336 PolarHBondContact O-OH 3.43Å
293	G	96.1	Very high	96.8	Very high	12 Å²	12	38.3 Å²	38.3	12%	0.124	18%	0.179	C	C	.	.			trans	-58.3	137.8	169.4	0	0	0	0	0	110.9	Y252 G334	Y252-G293 PolarHBondContact OH-O 2.98Å; G293-G334 PolarHBondContact O-N 3.19Å
294	G	98.1	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.8	174.6	0	0	0	0	0	111.8	N292 V301 R302 G334	N292-G294 PolarHBondContact O-N 2.7Å; G294-V301 WeakPolarHBondContact O-CA 3.33Å; G294-R302 PolarHBondContact N-O 2.79Å; G294-R302 PolarHBondContact O-N 3.07Å; G294-R302 VanDerWaalsContact O-N 3.15Å; G294-G334 CarbonylContact C-O 3.6Å; G294-G334 WeakPolarHBondContact CA-O 3.48Å
295	W	98.6	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	140.5	174.7	-66.5	107.9	0	0	0	111	F257 Y259 A262 L273 G299 V301 P326 K328 Y333 G334 Y336	F257-W295 PolarHBondContact O-NE1 2.96Å; Y259-W295 HydrophobicContact CD2-CB 4.5Å; Y259-W295 HydrophobicContact CD2-CD2 4.13Å; Y259-W295 AromaticContact CD2-CE3 3.84Å; Y259-W295 HydrophobicContact CD2-CE3 3.84Å; Y259-W295 HydrophobicContact CD2-CG 4.45Å; Y259-W295 HydrophobicContact CD2-CZ3 4.41Å; A262-W295 HydrophobicContact CB-CB 3.89Å; A262-W295 HydrophobicContact CB-CG 3.98Å; L273-W295 HydrophobicContact CD2-CB 4.3Å; W295-G299 VanDerWaalsContact CZ3-O 3.31Å; W295-G299 WeakPolarHBondContact CZ3-O 3.39Å; W295-V301 HydrophobicContact CD2-CG2 3.67Å; W295-V301 HydrophobicContact CE3-CG2 3.3Å; W295-V301 HydrophobicContact CG-CG2 4.4Å; W295-V301 HydrophobicContact CH2-CG2 3.97Å; W295-V301 HydrophobicContact CZ2-CG2 4.26Å; W295-V301 HydrophobicContact CZ3-CG2 3.47Å; W295-V301 VanDerWaalsContact CZ3-CG2 3.47Å; W295-P326 HydrophobicContact CH2-CB 4.45Å; W295-P326 HydrophobicContact CH2-CG 3.7Å; W295-P326 HydrophobicContact CZ3-CG 3.9Å; W295-K328 HydrophobicContact CH2-CG 4.49Å; W295-K328 HydrophobicContact CZ3-CG 4.48Å; W295-Y333 AromaticContact CE2-CD2 3.8Å; W295-Y333 HydrophobicContact CH2-CD2 4.44Å; W295-Y333 AromaticContact CZ2-CD2 3.77Å; W295-Y333 HydrophobicContact CZ2-CD2 3.77Å; W295-Y333 HydrophobicContact CZ2-CE2 4.26Å; W295-Y333 AromaticContact NE1-CD2 3.95Å; W295-G334 PolarHBondContact N-O 3.15Å; W295-Y336 PolarHBondContact O-N 3.47Å; W295-Y336 VanDerWaalsContact O-N 3.08Å
296	L	98.8	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.			trans	-114.3	168.5	167.2	-68.4	172.6	0	0	0	110	Y259 A274 V276 L279 D298 G299 S300 R302 Y336	Y259-L296 WeakPolarHBondContact CE2-O 3.32Å; A274-L296 HydrophobicContact CB-CD2 3.85Å; A274-L296 WeakPolarHBondContact O-CD2 3.12Å; V276-L296 HydrophobicContact CG2-CD1 3.82Å; L279-L296 HydrophobicContact CB-CD2 4.29Å; L279-L296 HydrophobicContact CD2-CD1 3.84Å; L279-L296 HydrophobicContact CD2-CD2 4.17Å; L279-L296 HydrophobicContact CD2-CG 4.47Å; L296-D298 PolarHBondContact O-N 2.83Å; L296-G299 PolarHBondContact O-N 3.22Å; L296-S300 PolarHBondContact N-O 2.91Å; L296-R302 HydrophobicContact CD1-CB 3.88Å; L296-R302 HydrophobicContact CD1-CG 3.71Å; L296-Y336 HydrophobicContact CD2-CD2 4.28Å; L296-Y336 HydrophobicContact CD2-CG 4.29Å
297	K	98.4	Very high	96.3	Very high	118 Å²	118	31.6 Å²	31.6	51%	0.513	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.8	-174.5	-162.2	-172.1	-177.3	-176.2	0	113.9	Y259 L273 A274 L275 G299	Y259-K297 PolarHBondContact OH-O 3.18Å; L273-K297 HydrophobicContact CB-CB 3.96Å; L273-K297 HydrophobicContact CB-CG 4.43Å; A274-K297 PolarHBondContact O-N 3.19Å; L275-K297 HydrophobicContact CD2-CB 4.03Å; L275-K297 HydrophobicContact CD2-CD 3.45Å; L275-K297 VanDerWaalsContact CD2-CD 3.45Å; L275-K297 HydrophobicContact CD2-CG 4.35Å; K297-G299 PolarHBondContact O-N 2.01Å
298	D	97.9	Very high	95.9	Very high	17 Å²	17	28.4 Å²	28.4	9%	0.091	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.4	175.4	70	-17.3	0	0	0	112.7	V276 L296 S300 R302 F325	V276-D298 VanDerWaalsContact CG2-OD2 3.24Å; V276-D298 WeakPolarHBondContact CG2-OD2 3.42Å; L296-D298 PolarHBondContact O-N 2.83Å; D298-S300 VanDerWaalsContact C-N 3.27Å; D298-S300 WeakPolarHBondContact OD1-CA 3.19Å; D298-S300 VanDerWaalsContact OD1-CB 3.23Å; D298-S300 WeakPolarHBondContact OD1-CB 3.47Å; D298-S300 PolarHBondContact OD1-N 3.03Å; D298-S300 PolarHBondContact OD1-OG 3.01Å; D298-S300 WeakPolarHBondContact OD2-CB 3.34Å; D298-S300 PolarHBondContact OD2-OG 3.48Å; D298-R302 IonicContact OD2-NH2 2.64Å; D298-R302 PolarHBondContact OD2-NH2 3.27Å; D298-F325 HydrophobicContact CB-CE1 4.41Å; D298-F325 WeakPolarHBondContact O-CE1 3.39Å
299	G	97.6	Very high	95.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	78.8	9.6	-173.6	0	0	0	0	0	113.5	W295 L296 K297	W295-G299 VanDerWaalsContact CZ3-O 3.31Å; W295-G299 WeakPolarHBondContact CZ3-O 3.39Å; L296-G299 PolarHBondContact O-N 3.22Å; K297-G299 PolarHBondContact O-N 2.01Å
300	S	98.2	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-79.6	158.7	166	72.9	0	0	0	0	110.7	L296 D298 R302 G324	L296-S300 PolarHBondContact N-O 2.91Å; D298-S300 VanDerWaalsContact C-N 3.27Å; D298-S300 WeakPolarHBondContact OD1-CA 3.19Å; D298-S300 VanDerWaalsContact OD1-CB 3.23Å; D298-S300 WeakPolarHBondContact OD1-CB 3.47Å; D298-S300 PolarHBondContact OD1-N 3.03Å; D298-S300 PolarHBondContact OD1-OG 3.01Å; D298-S300 WeakPolarHBondContact OD2-CB 3.34Å; D298-S300 PolarHBondContact OD2-OG 3.48Å; S300-R302 PolarHBondContact OG-NE 3.18Å; S300-G324 VanDerWaalsContact CA-O 3.24Å; S300-G324 WeakPolarHBondContact CA-O 3.47Å; S300-G324 WeakPolarHBondContact CB-O 3.22Å
301	V	97.9	Very high	94.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.3	171.9	-179.6	0	0	0	0	108.8	G294 W295 F323 G324 P326 Y333	G294-V301 WeakPolarHBondContact O-CA 3.33Å; W295-V301 HydrophobicContact CD2-CG2 3.67Å; W295-V301 HydrophobicContact CE3-CG2 3.3Å; W295-V301 HydrophobicContact CG-CG2 4.4Å; W295-V301 HydrophobicContact CH2-CG2 3.97Å; W295-V301 HydrophobicContact CZ2-CG2 4.26Å; W295-V301 HydrophobicContact CZ3-CG2 3.47Å; W295-V301 VanDerWaalsContact CZ3-CG2 3.47Å; V301-F323 HydrophobicContact CB-CB 4.35Å; V301-F323 HydrophobicContact CB-CD2 4.42Å; V301-F323 HydrophobicContact CG1-CD2 3.75Å; V301-F323 PolarHBondContact O-N 3.09Å; V301-G324 PolarHBondContact N-O 3.44Å; V301-P326 HydrophobicContact CB-CG 4.15Å; V301-P326 HydrophobicContact CG2-CG 3.49Å; V301-P326 VanDerWaalsContact CG2-CG 3.49Å; V301-Y333 HydrophobicContact CB-CD2 4.36Å; V301-Y333 HydrophobicContact CB-CE2 4.37Å; V301-Y333 HydrophobicContact CG1-CD1 3.68Å; V301-Y333 HydrophobicContact CG1-CD2 3.96Å; V301-Y333 HydrophobicContact CG1-CE1 3.93Å; V301-Y333 HydrophobicContact CG1-CE2 4.18Å; V301-Y333 HydrophobicContact CG1-CG 3.7Å; V301-Y333 HydrophobicContact CG2-CD2 3.59Å; V301-Y333 HydrophobicContact CG2-CE2 3.77Å; V301-Y333 HydrophobicContact CG2-CG 4.12Å
302	R	97.6	Very high	93.6	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.038	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	170.7	-175.9	-56.5	-168.5	-167	-148.1	5.1	111.4	L279 G294 L296 D298 S300 V320 R321 Y336	L279-R302 HydrophobicContact CD2-CB 3.84Å; G294-R302 PolarHBondContact N-O 2.79Å; G294-R302 PolarHBondContact O-N 3.07Å; G294-R302 VanDerWaalsContact O-N 3.15Å; L296-R302 HydrophobicContact CD1-CB 3.88Å; L296-R302 HydrophobicContact CD1-CG 3.71Å; D298-R302 IonicContact OD2-NH2 2.64Å; D298-R302 PolarHBondContact OD2-NH2 3.27Å; S300-R302 PolarHBondContact OG-NE 3.18Å; R302-V320 HydrophobicContact CB-CG1 3.99Å; R302-R321 CarbonylContact C-O 3.46Å; R302-R321 WeakPolarHBondContact CA-O 3.29Å; R302-R321 VanDerWaalsContact CB-O 3.28Å; R302-R321 WeakPolarHBondContact CB-O 3.47Å; R302-Y336 WeakPolarHBondContact O-CE2 3.45Å
303	F	96.4	Very high	92.3	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.044	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	126.8	172.2	57	-80.9	0	0	0	110.9	N292 I305 R321 F323	N292-F303 WeakPolarHBondContact O-CB 3.18Å; F303-I305 HydrophobicContact CD2-CD1 3.8Å; F303-I305 HydrophobicContact CD2-CG1 4.05Å; F303-I305 HydrophobicContact CE2-CD1 3.65Å; F303-I305 HydrophobicContact CE2-CG1 4.4Å; F303-R321 HydrophobicContact CD1-CB 4.08Å; F303-R321 HydrophobicContact CD2-CB 4.02Å; F303-R321 HydrophobicContact CD2-CG 4.4Å; F303-R321 HydrophobicContact CE1-CB 3.61Å; F303-R321 HydrophobicContact CE2-CB 3.56Å; F303-R321 HydrophobicContact CE2-CG 3.83Å; F303-R321 HydrophobicContact CG-CB 4.27Å; F303-R321 HydrophobicContact CZ-CB 3.33Å; F303-R321 HydrophobicContact CZ-CG 4Å; F303-R321 PolarHBondContact N-O 3.34Å; F303-R321 PolarHBondContact O-N 3.48Å; F303-F323 HydrophobicContact CD1-CD2 4.39Å; F303-F323 AromaticContact CD1-CE2 3.85Å; F303-F323 HydrophobicContact CD1-CE2 3.85Å; F303-F323 AromaticContact CD1-CZ 4Å; F303-F323 HydrophobicContact CD1-CZ 4Å; F303-F323 HydrophobicContact CE1-CD1 4.26Å; F303-F323 HydrophobicContact CE1-CD2 4.25Å; F303-F323 AromaticContact CE1-CE1 3.68Å; F303-F323 HydrophobicContact CE1-CE1 3.68Å; F303-F323 AromaticContact CE1-CE2 3.66Å; F303-F323 HydrophobicContact CE1-CE2 3.66Å; F303-F323 AromaticContact CE1-CZ 3.34Å; F303-F323 HydrophobicContact CE1-CZ 3.34Å; F303-F323 HydrophobicContact CZ-CE1 4.26Å; F303-F323 HydrophobicContact CZ-CZ 4.02Å
304	P	96.3	Very high	90.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.3	-178.9	34.6	-33.3	0	0	0	112.2	L279 W283 Y288 Q290 V320 Y336	L279-P304 HydrophobicContact CD1-CB 4.43Å; L279-P304 HydrophobicContact CD1-CG 3.88Å; W283-P304 HydrophobicContact CB-CB 3.96Å; W283-P304 HydrophobicContact CG-CB 4.17Å; Y288-P304 HydrophobicContact CD1-CG 3.7Å; Y288-P304 HydrophobicContact CE1-CG 4.03Å; Q290-P304 CarbonylContact C-O 3.53Å; Q290-P304 HydrophobicContact CB-CG 4.18Å; Q290-P304 PolarHBondContact N-O 2.77Å; P304-V320 HydrophobicContact CB-CG2 4.12Å; P304-Y336 VanDerWaalsContact CD-OH 3.24Å; P304-Y336 WeakPolarHBondContact CD-OH 3.37Å; P304-Y336 HydrophobicContact CG-CE1 4.42Å
305	I	94.4	Very high	89.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.1	177	-61.9	176.3	0	0	0	109	W283 D289 F303 S307 C312 A318 G319 R321	W283-I305 PolarHBondContact NE1-O 2.94Å; D289-I305 WeakPolarHBondContact OD2-CA 3.44Å; F303-I305 HydrophobicContact CD2-CD1 3.8Å; F303-I305 HydrophobicContact CD2-CG1 4.05Å; F303-I305 HydrophobicContact CE2-CD1 3.65Å; F303-I305 HydrophobicContact CE2-CG1 4.4Å; I305-S307 WeakPolarHBondContact CG2-O 3.42Å; I305-C312 HydrophobicContact CD1-CB 3.74Å; I305-C312 WeakPolarHBondContact CD1-O 3.18Å; I305-A318 CarbonylContact O-C 3.55Å; I305-A318 VanDerWaalsContact O-CA 3.32Å; I305-A318 WeakPolarHBondContact O-CA 3.3Å; I305-A318 WeakPolarHBondContact O-CB 3.26Å; I305-G319 PolarHBondContact N-O 3.36Å; I305-G319 PolarHBondContact O-N 3.22Å; I305-R321 HydrophobicContact CD1-CG 4.41Å
306	V	93.4	Very high	88.3	Confident	41 Å²	41	54.6 Å²	54.6	25%	0.248	29%	0.293	C	S	.	.	S	Bend	trans	-91.5	-39	171	179.1	0	0	0	0	110.2	K287 D289 P308 A318	K287-V306 HydrophobicContact CD-CG1 4.32Å; D289-V306 HydrophobicContact CB-CB 4.1Å; D289-V306 HydrophobicContact CB-CG2 4.1Å; D289-V306 PolarHBondContact OD2-N 3.23Å; V306-P308 WeakPolarHBondContact O-CD 3.08Å; V306-A318 WeakPolarHBondContact O-CB 3.45Å
307	S	90.8	Very high	87.6	Confident	75 Å²	75	58 Å²	58	52%	0.524	31%	0.309	S	S	.	.	S	Bend	trans	-111.8	103.8	177.5	-62.1	0	0	0	0	110.2	D289 I305 R309	D289-S307 PolarHBondContact OD2-N 2.91Å; I305-S307 WeakPolarHBondContact CG2-O 3.42Å; S307-R309 WeakPolarHBondContact O-CG 3.44Å; S307-R309 PolarHBondContact O-N 3.08Å; S307-R309 PolarHBondContact O-NE 2.83Å
308	P	88	Confident	87.2	Confident	57 Å²	57	54.8 Å²	54.8	37%	0.37	31%	0.305	S	S	.	.			trans	-56.6	132.7	180	-28.2	38.2	0	0	0	112.4	V306 P316 E317 A318	V306-P308 WeakPolarHBondContact O-CD 3.08Å; P308-P316 WeakPolarHBondContact CB-O 3Å; P308-P316 VanDerWaalsContact CG-O 3.23Å; P308-P316 WeakPolarHBondContact CG-O 3.32Å; P308-E317 VanDerWaalsContact CG-C 3.46Å; P308-A318 HydrophobicContact CG-CB 4.38Å
309	R	86.8	Confident	87	Confident	95 Å²	95	54.4 Å²	54.4	36%	0.358	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-137.3	139.7	-176.6	-69.8	160.2	-67.5	-162.7	-0	109.3	D289 S307 R311 C312	D289-R309 IonicContact OD1-CZ 2.68Å; D289-R309 IonicContact OD1-NH1 2.74Å; D289-R309 PolarHBondContact OD1-NH1 3.35Å; D289-R309 IonicContact OD1-NH2 3.14Å; D289-R309 PolarHBondContact OD1-NH2 2.91Å; D289-R309 IonicContact OD2-CZ 3.36Å; D289-R309 IonicContact OD2-NH2 3.13Å; D289-R309 PolarHBondContact OD2-NH2 3.29Å; D289-R309 VanDerWaalsContact OD2-NH2 3.12Å; S307-R309 WeakPolarHBondContact O-CG 3.44Å; S307-R309 PolarHBondContact O-N 3.08Å; S307-R309 PolarHBondContact O-NE 2.83Å; R309-R311 PolarHBondContact O-N 2.97Å; R309-C312 HydrophobicContact CB-CB 3.98Å; R309-C312 PolarHBondContact NE-SG 3.17Å; R309-C312 PolarHBondContact O-N 2.92Å
310	K	81.6	Confident	86.9	Confident	207 Å²	207	55 Å²	55	90%	0.9	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.8	-177.7	-71.4	-173.7	178	-178.3	0	114
311	R	82.8	Confident	86.7	Confident	245 Å²	245	58.3 Å²	58.3	93%	0.925	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	4.5	-178.8	-63.9	-175	-179.2	179	0.4	114.5	R309	R309-R311 PolarHBondContact O-N 2.97Å
312	C	81.3	Confident	86.5	Confident	10 Å²	10	61.2 Å²	61.2	7%	0.068	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-119.8	80.3	-176.9	-60.7	0	0	0	0	109.2	C291 I305 R309 G314	C291-C312 HydrophobicContact CB-CB 3.87Å; C291-C312 WeakPolarHBondContact CB-SG 3.12Å; C291-C312 WeakPolarHBondContact SG-CA 3.4Å; C291-C312 WeakPolarHBondContact SG-CB 3.35Å; C291-C312 CovalentContact SG-SG 2.01Å; C291-C312 PolarHBondContact SG-SG 3.19Å; I305-C312 HydrophobicContact CD1-CB 3.74Å; I305-C312 WeakPolarHBondContact CD1-O 3.18Å; R309-C312 HydrophobicContact CB-CB 3.98Å; R309-C312 PolarHBondContact NE-SG 3.17Å; R309-C312 PolarHBondContact O-N 2.92Å; C312-G314 VanDerWaalsContact C-N 3.28Å; C312-G314 PolarHBondContact O-N 2.91Å
313	G	67.3	Low	86.3	Confident	44 Å²	44	66 Å²	66	45%	0.454	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	80.4	-5	-179.4	0	0	0	0	0	115.9	V315	G313-V315 PolarHBondContact O-N 2.92Å; G313-V315 VanDerWaalsContact O-N 3.08Å
314	G	66.8	Low	86.2	Confident	62 Å²	62	66.8 Å²	66.8	64%	0.639	37%	0.37	S	S	*	.	S	Bend	trans	67	9.2	170.6	0	0	0	0	0	115.9	C312	C312-G314 VanDerWaalsContact C-N 3.28Å; C312-G314 PolarHBondContact O-N 2.91Å
315	V	68.2	Low	86.2	Confident	50 Å²	50	69.5 Å²	69.5	30%	0.303	38%	0.382	S	S	.	.			trans	-112.9	144.2	-173.6	-73.4	0	0	0	0	111	G313 E317 R321	G313-V315 PolarHBondContact O-N 2.92Å; G313-V315 VanDerWaalsContact O-N 3.08Å; V315-E317 VanDerWaalsContact C-N 3.32Å; V315-E317 PolarHBondContact O-N 3.05Å; V315-R321 VanDerWaalsContact CG2-CZ 3.5Å; V315-R321 VanDerWaalsContact CG2-NH2 3.26Å
316	P	73.2	Confident	86.3	Confident	103 Å²	103	70.6 Å²	70.6	67%	0.669	39%	0.389	S	S	*	.	S	Bend	trans	-82.4	-4.1	-175.5	32	-31.8	0	0	0	113.9	P308	P308-P316 WeakPolarHBondContact CB-O 3Å; P308-P316 VanDerWaalsContact CG-O 3.23Å; P308-P316 WeakPolarHBondContact CG-O 3.32Å
317	E	84.2	Confident	86.4	Confident	72 Å²	72	71.7 Å²	71.7	34%	0.336	40%	0.398	S	S	.	.	S	Bend	trans	-104.4	146.5	-178.4	-42.5	79.5	-170.9	0	0	113.5	P308 V315 R321	P308-E317 VanDerWaalsContact CG-C 3.46Å; V315-E317 VanDerWaalsContact C-N 3.32Å; V315-E317 PolarHBondContact O-N 3.05Å; E317-R321 PolarHBondContact O-NH2 3.08Å; E317-R321 IonicContact OE2-NH2 3.01Å; E317-R321 PolarHBondContact OE2-NH2 2.79Å
318	A	90.8	Very high	86.6	Confident	50 Å²	50	72 Å²	72	41%	0.413	39%	0.39	S	S	.	.			trans	-70.2	151.8	171.2	0	0	0	0	0	110.7	W283 I305 V306 P308	W283-A318 HydrophobicContact CZ2-CB 4.22Å; I305-A318 CarbonylContact O-C 3.55Å; I305-A318 VanDerWaalsContact O-CA 3.32Å; I305-A318 WeakPolarHBondContact O-CA 3.3Å; I305-A318 WeakPolarHBondContact O-CB 3.26Å; V306-A318 WeakPolarHBondContact O-CB 3.45Å; P308-A318 HydrophobicContact CG-CB 4.38Å
319	G	93	Very high	86.7	Confident	10 Å²	10	74.2 Å²	74.2	10%	0.103	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159	169.9	178.4	0	0	0	0	0	113	W283 I305	W283-G319 VanDerWaalsContact CZ2-CA 3.45Å; I305-G319 PolarHBondContact N-O 3.36Å; I305-G319 PolarHBondContact O-N 3.22Å
320	V	95.6	Very high	86.7	Confident	12 Å²	12	74.3 Å²	74.3	7%	0.073	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.7	167	-175.8	0	0	0	0	108.5	L279 Y280 W283 R302 P304	L279-V320 HydrophobicContact CD2-CG1 3.74Å; L279-V320 HydrophobicContact CG-CG1 4.37Å; Y280-V320 HydrophobicContact CD1-CB 4.18Å; Y280-V320 HydrophobicContact CD1-CG2 3.7Å; Y280-V320 HydrophobicContact CD2-CB 4.32Å; Y280-V320 HydrophobicContact CD2-CG1 4.44Å; Y280-V320 HydrophobicContact CD2-CG2 4.12Å; Y280-V320 HydrophobicContact CE1-CB 3.69Å; Y280-V320 HydrophobicContact CE1-CG2 3.73Å; Y280-V320 HydrophobicContact CE2-CB 3.83Å; Y280-V320 HydrophobicContact CE2-CG1 3.94Å; Y280-V320 HydrophobicContact CE2-CG2 4.14Å; Y280-V320 HydrophobicContact CG-CB 4.49Å; Y280-V320 HydrophobicContact CG-CG2 3.92Å; Y280-V320 VanDerWaalsContact CZ-CB 3.5Å; W283-V320 HydrophobicContact CB-CG2 3.97Å; W283-V320 HydrophobicContact CD2-CG2 4.13Å; W283-V320 HydrophobicContact CE3-CG2 4.4Å; W283-V320 HydrophobicContact CG-CG2 3.93Å; R302-V320 HydrophobicContact CB-CG1 3.99Å; P304-V320 HydrophobicContact CB-CG2 4.12Å
321	R	93.6	Very high	86.8	Confident	70 Å²	70	68.6 Å²	68.6	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.3	179.4	-54.3	-54.6	-179.9	168.2	4.6	109.9	R302 F303 I305 V315 E317	R302-R321 CarbonylContact C-O 3.46Å; R302-R321 WeakPolarHBondContact CA-O 3.29Å; R302-R321 VanDerWaalsContact CB-O 3.28Å; R302-R321 WeakPolarHBondContact CB-O 3.47Å; F303-R321 HydrophobicContact CD1-CB 4.08Å; F303-R321 HydrophobicContact CD2-CB 4.02Å; F303-R321 HydrophobicContact CD2-CG 4.4Å; F303-R321 HydrophobicContact CE1-CB 3.61Å; F303-R321 HydrophobicContact CE2-CB 3.56Å; F303-R321 HydrophobicContact CE2-CG 3.83Å; F303-R321 HydrophobicContact CG-CB 4.27Å; F303-R321 HydrophobicContact CZ-CB 3.33Å; F303-R321 HydrophobicContact CZ-CG 4Å; F303-R321 PolarHBondContact N-O 3.34Å; F303-R321 PolarHBondContact O-N 3.48Å; I305-R321 HydrophobicContact CD1-CG 4.41Å; V315-R321 VanDerWaalsContact CG2-CZ 3.5Å; V315-R321 VanDerWaalsContact CG2-NH2 3.26Å; E317-R321 PolarHBondContact O-NH2 3.08Å; E317-R321 IonicContact OE2-NH2 3.01Å; E317-R321 PolarHBondContact OE2-NH2 2.79Å
322	T	93.8	Very high	87.3	Confident	61 Å²	61	61.4 Å²	61.4	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.9	-174.1	-175.6	0	0	0	0	111.2	W194 G324	W194-T322 HydrophobicContact CH2-CG2 4.45Å; T322-G324 VanDerWaalsContact C-N 3.32Å; T322-G324 PolarHBondContact OG1-N 2.68Å
323	F	93.6	Very high	88.1	Confident	112 Å²	112	63.3 Å²	63.3	49%	0.491	38%	0.376	S	S	.	.			trans	-94.6	8.4	164.8	-62.2	-49.2	0	0	0	111.8	V301 F303 Y333	V301-F323 HydrophobicContact CB-CB 4.35Å; V301-F323 HydrophobicContact CB-CD2 4.42Å; V301-F323 HydrophobicContact CG1-CD2 3.75Å; V301-F323 PolarHBondContact O-N 3.09Å; F303-F323 HydrophobicContact CD1-CD2 4.39Å; F303-F323 AromaticContact CD1-CE2 3.85Å; F303-F323 HydrophobicContact CD1-CE2 3.85Å; F303-F323 AromaticContact CD1-CZ 4Å; F303-F323 HydrophobicContact CD1-CZ 4Å; F303-F323 HydrophobicContact CE1-CD1 4.26Å; F303-F323 HydrophobicContact CE1-CD2 4.25Å; F303-F323 AromaticContact CE1-CE1 3.68Å; F303-F323 HydrophobicContact CE1-CE1 3.68Å; F303-F323 AromaticContact CE1-CE2 3.66Å; F303-F323 HydrophobicContact CE1-CE2 3.66Å; F303-F323 AromaticContact CE1-CZ 3.34Å; F303-F323 HydrophobicContact CE1-CZ 3.34Å; F303-F323 HydrophobicContact CZ-CE1 4.26Å; F303-F323 HydrophobicContact CZ-CZ 4.02Å; F323-Y333 AromaticContact CD2-CE1 3.98Å; F323-Y333 HydrophobicContact CD2-CE1 3.98Å; F323-Y333 HydrophobicContact CE2-CE1 4.24Å
324	G	95.1	Very high	89.6	Confident	25 Å²	25	61.2 Å²	61.2	26%	0.258	36%	0.355	S	S	.	.			trans	74.4	-140.6	-176.4	0	0	0	0	0	111.8	S300 V301 T322 P326	S300-G324 VanDerWaalsContact CA-O 3.24Å; S300-G324 WeakPolarHBondContact CA-O 3.47Å; S300-G324 WeakPolarHBondContact CB-O 3.22Å; V301-G324 PolarHBondContact N-O 3.44Å; T322-G324 VanDerWaalsContact C-N 3.32Å; T322-G324 PolarHBondContact OG1-N 2.68Å; G324-P326 VanDerWaalsContact C-CD 3.49Å; G324-P326 WeakPolarHBondContact O-CD 3.37Å
325	F	96.6	Very high	91.1	Very high	57 Å²	57	58.3 Å²	58.3	25%	0.25	32%	0.324	C	S	.	.	S	Bend	trans	-115.4	79.2	-176.3	-64.3	-93.5	0	0	0	109.8	Q154 Q156 D298	Q154-F325 WeakPolarHBondContact O-CE2 3.33Å; Q156-F325 HydrophobicContact CB-CB 4.45Å; Q156-F325 HydrophobicContact CB-CD1 3.49Å; Q156-F325 VanDerWaalsContact CB-CD1 3.49Å; Q156-F325 HydrophobicContact CB-CD2 4.18Å; Q156-F325 HydrophobicContact CB-CE1 3.61Å; Q156-F325 HydrophobicContact CB-CE2 4.28Å; Q156-F325 HydrophobicContact CB-CG 3.79Å; Q156-F325 HydrophobicContact CB-CZ 4.01Å; D298-F325 HydrophobicContact CB-CE1 4.41Å; D298-F325 WeakPolarHBondContact O-CE1 3.39Å
326	P	96	Very high	92.5	Very high	24 Å²	24	55.9 Å²	55.9	16%	0.156	31%	0.31	C	S	.	.			trans	-68.5	165.1	179	27.1	-31.3	0	0	0	111.8	W295 V301 G324 K328 H331 Y333	W295-P326 HydrophobicContact CH2-CB 4.45Å; W295-P326 HydrophobicContact CH2-CG 3.7Å; W295-P326 HydrophobicContact CZ3-CG 3.9Å; V301-P326 HydrophobicContact CB-CG 4.15Å; V301-P326 HydrophobicContact CG2-CG 3.49Å; V301-P326 VanDerWaalsContact CG2-CG 3.49Å; G324-P326 VanDerWaalsContact C-CD 3.49Å; G324-P326 WeakPolarHBondContact O-CD 3.37Å; P326-K328 PolarHBondContact O-N 2.89Å; P326-H331 HydrophobicContact CB-CB 4.3Å; P326-Y333 HydrophobicContact CB-CE2 4.26Å; P326-Y333 HydrophobicContact CG-CE2 3.72Å
327	C	94.8	Very high	93.7	Very high	64 Å²	64	51 Å²	51	43%	0.432	28%	0.278	S	S	.	.			trans	-59.9	124.8	177.5	-179.4	0	0	0	0	110.7	T329 T330 H331	C327-T329 PolarHBondContact O-N 2.74Å; C327-T329 PolarHBondContact SG-OG1 3.42Å; C327-T329 VanDerWaalsContact SG-OG1 3.4Å; C327-T330 WeakPolarHBondContact CB-OG1 3.03Å; C327-H331 PolarHBondContact O-N 2.85Å
328	K	95.1	Very high	94.4	Very high	82 Å²	82	49.2 Å²	49.2	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.6	-171.5	-72.6	-173.7	176.9	-177.1	0	114.4	S258 Y259 W295 P326	S258-K328 WeakPolarHBondContact CB-O 2.91Å; Y259-K328 HydrophobicContact CD1-CD 3.99Å; Y259-K328 HydrophobicContact CD2-CD 4.49Å; Y259-K328 HydrophobicContact CG-CB 4.44Å; Y259-K328 HydrophobicContact CG-CD 3.94Å; Y259-K328 HydrophobicContact CG-CG 4.13Å; Y259-K328 PolarHBondContact N-O 3.14Å; W295-K328 HydrophobicContact CH2-CG 4.49Å; W295-K328 HydrophobicContact CZ3-CG 4.48Å; P326-K328 PolarHBondContact O-N 2.89Å
329	T	91.3	Very high	94.7	Very high	103 Å²	103	56.1 Å²	56.1	63%	0.632	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-34.2	-174.2	54.8	0	0	0	0	113.6	C327	C327-T329 PolarHBondContact O-N 2.74Å; C327-T329 PolarHBondContact SG-OG1 3.42Å; C327-T329 VanDerWaalsContact SG-OG1 3.4Å
330	T	85.9	Confident	94.8	Very high	98 Å²	98	58.5 Å²	58.5	60%	0.601	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-26.4	-171.7	57.6	0	0	0	0	113.6	C327	C327-T330 WeakPolarHBondContact CB-OG1 3.03Å
331	H	83.6	Confident	94.7	Very high	87 Å²	87	60.9 Å²	60.9	40%	0.403	30%	0.304	S	S	.	.			trans	-96.2	141.4	179.4	-69.6	-90.7	0	0	0	111.7	P326 C327 Y333	P326-H331 HydrophobicContact CB-CB 4.3Å; C327-H331 PolarHBondContact O-N 2.85Å; H331-Y333 HydrophobicContact CB-CD2 4.28Å; H331-Y333 HydrophobicContact CB-CE2 3.58Å
332	L	94.2	Very high	94.8	Very high	93 Å²	93	60.4 Å²	60.4	49%	0.487	31%	0.307	S	S	.	.			trans	-117.3	126.8	-176.6	-57.4	-179.3	0	0	0	110.7	A256 F257 S258	A256-L332 HydrophobicContact CB-CB 3.83Å; A256-L332 HydrophobicContact CB-CD1 3.91Å; A256-L332 HydrophobicContact CB-CG 4.46Å; F257-L332 VanDerWaalsContact C-CD2 3.46Å; F257-L332 VanDerWaalsContact O-CA 3.31Å; F257-L332 WeakPolarHBondContact O-CA 3.39Å; S258-L332 VanDerWaalsContact N-CD2 3.3Å
333	Y	97.3	Very high	94.8	Very high	50 Å²	50	60.4 Å²	60.4	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	171.7	177.7	-60.8	-80.5	0	0	0	109.9	G255 F257 W295 V301 F323 P326 H331	G255-Y333 CarbonylContact O-C 3.57Å; F257-Y333 WeakPolarHBondContact CB-O 3.49Å; F257-Y333 PolarHBondContact N-O 2.89Å; F257-Y333 PolarHBondContact O-N 2.79Å; W295-Y333 AromaticContact CE2-CD2 3.8Å; W295-Y333 HydrophobicContact CH2-CD2 4.44Å; W295-Y333 AromaticContact CZ2-CD2 3.77Å; W295-Y333 HydrophobicContact CZ2-CD2 3.77Å; W295-Y333 HydrophobicContact CZ2-CE2 4.26Å; W295-Y333 AromaticContact NE1-CD2 3.95Å; V301-Y333 HydrophobicContact CB-CD2 4.36Å; V301-Y333 HydrophobicContact CB-CE2 4.37Å; V301-Y333 HydrophobicContact CG1-CD1 3.68Å; V301-Y333 HydrophobicContact CG1-CD2 3.96Å; V301-Y333 HydrophobicContact CG1-CE1 3.93Å; V301-Y333 HydrophobicContact CG1-CE2 4.18Å; V301-Y333 HydrophobicContact CG1-CG 3.7Å; V301-Y333 HydrophobicContact CG2-CD2 3.59Å; V301-Y333 HydrophobicContact CG2-CE2 3.77Å; V301-Y333 HydrophobicContact CG2-CG 4.12Å; F323-Y333 AromaticContact CD2-CE1 3.98Å; F323-Y333 HydrophobicContact CD2-CE1 3.98Å; F323-Y333 HydrophobicContact CE2-CE1 4.24Å; P326-Y333 HydrophobicContact CB-CE2 4.26Å; P326-Y333 HydrophobicContact CG-CE2 3.72Å; H331-Y333 HydrophobicContact CB-CD2 4.28Å; H331-Y333 HydrophobicContact CB-CE2 3.58Å
334	G	98.3	Very high	94.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-167.7	167.4	0	0	0	0	0	111.9	Y252 I253 G255 G293 G294 W295	Y252-G334 WeakPolarHBondContact OH-CA 3.46Å; Y252-G334 PolarHBondContact OH-N 2.01Å; I253-G334 WeakPolarHBondContact O-CA 3.23Å; G255-G334 WeakPolarHBondContact O-CA 3.2Å; G255-G334 PolarHBondContact O-N 2.87Å; G293-G334 PolarHBondContact O-N 3.19Å; G294-G334 CarbonylContact C-O 3.6Å; G294-G334 WeakPolarHBondContact CA-O 3.48Å; W295-G334 PolarHBondContact N-O 3.15Å
335	A	98.6	Very high	94.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.6	179.3	0	0	0	0	0	110.8	Y252 I253 F257 A262 L273	Y252-A335 WeakPolarHBondContact CA-O 3.47Å; I253-A335 HydrophobicContact CB-CB 4.39Å; I253-A335 PolarHBondContact N-O 2.89Å; I253-A335 PolarHBondContact O-N 2.63Å; F257-A335 HydrophobicContact CD2-CB 4.48Å; A262-A335 HydrophobicContact CB-CB 3.81Å; L273-A335 HydrophobicContact CD2-CB 3.99Å
336	Y	98.8	Very high	94.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.4	163.2	-69.6	-76.9	0	0	0	108.2	V250 Y252 L273 A274 L279 Y288 Q290 N292 W295 L296 R302 P304	V250-Y336 HydrophobicContact CG1-CD1 4.05Å; Y252-Y336 AromaticContact CD2-CD1 3.83Å; Y252-Y336 HydrophobicContact CD2-CD1 3.83Å; Y252-Y336 HydrophobicContact CD2-CD2 4.31Å; Y252-Y336 AromaticContact CD2-CE1 3.48Å; Y252-Y336 HydrophobicContact CD2-CE1 3.48Å; Y252-Y336 VanDerWaalsContact CD2-CE1 3.48Å; Y252-Y336 AromaticContact CD2-CE2 3.97Å; Y252-Y336 HydrophobicContact CD2-CE2 3.97Å; Y252-Y336 HydrophobicContact CD2-CG 4.22Å; Y252-Y336 AromaticContact CD2-CZ 3.57Å; Y252-Y336 HydrophobicContact CE2-CE1 4.28Å; Y252-Y336 HydrophobicContact CE2-CE2 4.02Å; Y252-Y336 AromaticContact CE2-CZ 3.89Å; Y252-Y336 HydrophobicContact CG-CE1 4.24Å; L273-Y336 WeakPolarHBondContact CA-O 3.45Å; A274-Y336 PolarHBondContact N-O 2.76Å; L279-Y336 HydrophobicContact CD1-CD1 3.85Å; L279-Y336 HydrophobicContact CD1-CE1 4.11Å; L279-Y336 HydrophobicContact CD1-CG 4.13Å; Y288-Y336 HydrophobicContact CE1-CD1 4.08Å; Y288-Y336 AromaticContact CE1-CE1 3.79Å; Y288-Y336 HydrophobicContact CE1-CE1 3.79Å; Q290-Y336 HydrophobicContact CB-CE1 4.02Å; Q290-Y336 WeakPolarHBondContact CB-OH 3.37Å; Q290-Y336 HydrophobicContact CG-CE1 4Å; Q290-Y336 WeakPolarHBondContact CG-OH 2.96Å; N292-Y336 PolarHBondContact O-OH 3.43Å; W295-Y336 PolarHBondContact O-N 3.47Å; W295-Y336 VanDerWaalsContact O-N 3.08Å; L296-Y336 HydrophobicContact CD2-CD2 4.28Å; L296-Y336 HydrophobicContact CD2-CG 4.29Å; R302-Y336 WeakPolarHBondContact O-CE2 3.45Å; P304-Y336 VanDerWaalsContact CD-OH 3.24Å; P304-Y336 WeakPolarHBondContact CD-OH 3.37Å; P304-Y336 HydrophobicContact CG-CE1 4.42Å
337	C	98.7	Very high	94.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	155.4	-179.7	-51.7	0	0	0	0	110.6	V250 F251 I253 C266 S271 A272	V250-C337 VanDerWaalsContact CA-O 3.31Å; V250-C337 WeakPolarHBondContact CA-O 3.42Å; F251-C337 HydrophobicContact CD1-CB 4.26Å; F251-C337 HydrophobicContact CD2-CB 4.25Å; F251-C337 HydrophobicContact CE1-CB 3.73Å; F251-C337 HydrophobicContact CE2-CB 3.74Å; F251-C337 HydrophobicContact CZ-CB 3.46Å; F251-C337 VanDerWaalsContact CZ-CB 3.46Å; F251-C337 PolarHBondContact N-O 3.1Å; F251-C337 PolarHBondContact O-N 3.42Å; I253-C337 WeakPolarHBondContact CD1-SG 3Å; C266-C337 WeakPolarHBondContact CA-SG 3.31Å; C266-C337 HydrophobicContact CB-CB 3.77Å; C266-C337 WeakPolarHBondContact CB-SG 3.21Å; C266-C337 VanDerWaalsContact SG-CA 3.59Å; C266-C337 WeakPolarHBondContact SG-CB 3.44Å; C266-C337 CovalentContact SG-SG 2.03Å; C266-C337 PolarHBondContact SG-SG 3.24Å; S271-C337 WeakPolarHBondContact OG-CB 3.49Å; A272-C337 CarbonylContact O-C 3.44Å; A272-C337 WeakPolarHBondContact O-CA 3.36Å
338	Y	98.6	Very high	94.7	Very high	34 Å²	34	62 Å²	62	13%	0.133	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.4	180	-172.7	-92.9	0	0	0	111	I246 P247 S249 V250 S271 A272 Q278	I246-Y338 WeakPolarHBondContact CG2-OH 3.38Å; P247-Y338 PolarHBondContact O-OH 3.06Å; S249-Y338 WeakPolarHBondContact O-CA 3.47Å; V250-Y338 HydrophobicContact CG2-CD2 3.73Å; V250-Y338 HydrophobicContact CG2-CE2 4.34Å; S271-Y338 VanDerWaalsContact CB-O 3.3Å; S271-Y338 WeakPolarHBondContact CB-O 3.42Å; A272-Y338 PolarHBondContact N-O 3.04Å; A272-Y338 PolarHBondContact O-N 3.49Å; Q278-Y338 HydrophobicContact CB-CD2 3.93Å; Q278-Y338 HydrophobicContact CB-CE2 4.06Å; Q278-Y338 VanDerWaalsContact CD-CG 3.47Å; Q278-Y338 HydrophobicContact CG-CD2 3.94Å; Q278-Y338 HydrophobicContact CG-CE2 3.81Å; Q278-Y338 HydrophobicContact CG-CG 4.35Å; Q278-Y338 VanDerWaalsContact NE2-CD1 3.34Å; Q278-Y338 VanDerWaalsContact NE2-CE1 3.33Å; Q278-Y338 VanDerWaalsContact OE1-CG 3.23Å
339	R	96.1	Very high	94.6	Very high	196 Å²	196	60.2 Å²	60.2	74%	0.74	29%	0.291	S	S	*	.			trans	-139.2	0	174.5	67.9	-179.5	177.4	179.2	-0.3	111.5	G248 S249 F251	G248-R339 CarbonylContact C-O 3.57Å; G248-R339 WeakPolarHBondContact CA-O 3.37Å; S249-R339 PolarHBondContact N-O 3.48Å; S249-R339 PolarHBondContact O-N 3.4Å; F251-R339 HydrophobicContact CE1-CG 4.12Å

Retrieved 339 of 339 residues in 602.9 ms (Link to these results)

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