A0A096LT05_POEFO Loading...

Metalloproteinase inhibitor 2

AlphaFold DB , UniProt , Accession A0A096LT05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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	L	44.8	Very low	54.8	Low	231 Å²	231	124.7 Å²	124.7	100%	1.209	69%	0.69	S	S	*	*				0	37.7	0	-92.4	117.2	0	0	0	113.9
2	K	46	Very low	56.5	Low	201 Å²	201	121.7 Å²	121.7	87%	0.874	68%	0.677	S	S	*	*			trans	-124.5	6.5	179.2	-112.6	179.6	-179.8	178.8	0	115.3
3	M	41.1	Very low	57.9	Low	167 Å²	167	116.1 Å²	116.1	82%	0.823	66%	0.656	S	S	*	*	S	Bend	trans	-100.1	-11.4	178.4	-98.3	160.5	65.3	0	0	114.4	T6	M3-T6 PolarHBondContact O-OG1 2.72Å
4	S	47	Very low	58.8	Low	87 Å²	87	114.2 Å²	114.2	61%	0.608	64%	0.643	S	S	*	*	H	α-helix	trans	-81.2	-25.4	-177.3	-155.1	0	0	0	0	113.2
5	C	51.8	Low	59.8	Low	108 Å²	108	109.9 Å²	109.9	73%	0.73	63%	0.627	S	S	*	*	H	α-helix	trans	-77.6	-32.2	-172.2	-138.1	0	0	0	0	113.2	S9	C5-S9 PolarHBondContact O-N 2.95Å
6	T	54.6	Low	60.4	Low	95 Å²	95	108.3 Å²	108.3	58%	0.583	62%	0.615	S	S	*	*	H	α-helix	trans	-74.2	-33.8	179.2	38.5	0	0	0	0	112.5	M3 S9 C10	M3-T6 PolarHBondContact O-OG1 2.72Å; T6-S9 PolarHBondContact O-N 3.33Å; T6-C10 PolarHBondContact O-N 3Å
7	M	55.8	Low	60.8	Low	120 Å²	120	108.5 Å²	108.5	59%	0.591	61%	0.613	S	S	*	*	H	α-helix	trans	-70.8	-40.9	-178.9	-161.5	167.4	66.8	0	0	112	S9 C10 L11	M7-S9 PolarHBondContact O-N 3.43Å; M7-C10 PolarHBondContact O-N 3.43Å; M7-L11 VanDerWaalsContact O-CG 3.29Å; M7-L11 WeakPolarHBondContact O-CG 3.21Å; M7-L11 PolarHBondContact O-N 2.94Å; M7-L11 VanDerWaalsContact O-N 3.11Å
8	N	60.3	Low	60.8	Low	104 Å²	104	111.4 Å²	111.4	56%	0.556	62%	0.619	S	S	*	*	H	α-helix	trans	-65.2	-36.7	175	-93.8	12.8	0	0	0	112.9	L11 V12	N8-L11 PolarHBondContact O-N 3.32Å; N8-V12 VanDerWaalsContact O-CG2 3.29Å; N8-V12 WeakPolarHBondContact O-CG2 3.39Å; N8-V12 PolarHBondContact O-N 2.95Å
9	S	65.3	Low	60.9	Low	81 Å²	81	112.6 Å²	112.6	57%	0.566	62%	0.623	S	S	*	*	H	α-helix	trans	-65.3	-42.7	177.7	-170.5	0	0	0	0	111.9	C5 T6 M7 V12 A13	C5-S9 PolarHBondContact O-N 2.95Å; T6-S9 PolarHBondContact O-N 3.33Å; M7-S9 PolarHBondContact O-N 3.43Å; S9-V12 PolarHBondContact O-N 2.79Å; S9-A13 PolarHBondContact O-N 3.15Å
10	C	66.3	Low	60.6	Low	79 Å²	79	117.5 Å²	117.5	53%	0.534	63%	0.631	S	S	.	*	H	α-helix	trans	-65	-38.7	175.3	-73.6	0	0	0	0	112.8	T6 M7 A13 L14	T6-C10 PolarHBondContact O-N 3Å; M7-C10 PolarHBondContact O-N 3.43Å; C10-A13 PolarHBondContact O-N 2.89Å; C10-L14 WeakPolarHBondContact O-CB 3.42Å; C10-L14 WeakPolarHBondContact O-CG 3.48Å; C10-L14 PolarHBondContact O-N 2.87Å
11	L	70.2	Confident	60.3	Low	99 Å²	99	121.9 Å²	121.9	52%	0.518	64%	0.639	S	S	.	*	H	α-helix	trans	-66.6	-37.7	178	-71.2	169.7	0	0	0	112.1	M7 N8 A15	M7-L11 VanDerWaalsContact O-CG 3.29Å; M7-L11 WeakPolarHBondContact O-CG 3.21Å; M7-L11 PolarHBondContact O-N 2.94Å; M7-L11 VanDerWaalsContact O-N 3.11Å; N8-L11 PolarHBondContact O-N 3.32Å; L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.43Å
12	V	74.8	Confident	60.7	Low	88 Å²	88	116.7 Å²	116.7	53%	0.533	62%	0.617	S	S	.	*	H	α-helix	trans	-68.8	-42.2	175	173.6	0	0	0	0	111	N8 S9 L14 A15 I16	N8-V12 VanDerWaalsContact O-CG2 3.29Å; N8-V12 WeakPolarHBondContact O-CG2 3.39Å; N8-V12 PolarHBondContact O-N 2.95Å; S9-V12 PolarHBondContact O-N 2.79Å; V12-L14 PolarHBondContact O-N 3.01Å; V12-A15 PolarHBondContact O-N 3Å; V12-I16 HydrophobicContact CG1-CD1 3.81Å; V12-I16 HydrophobicContact CG1-CG1 4.47Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 2.79Å
13	A	74.8	Confident	60.7	Low	49 Å²	49	114.2 Å²	114.2	41%	0.405	61%	0.608	S	S	.	*	H	α-helix	trans	-63.3	-40.1	175.9	0	0	0	0	0	112.4	S9 C10 I16 L17	S9-A13 PolarHBondContact O-N 3.15Å; C10-A13 PolarHBondContact O-N 2.89Å; A13-I16 PolarHBondContact O-N 2.85Å; A13-L17 WeakPolarHBondContact O-CB 3.4Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.36Å
14	L	71.2	Confident	60.9	Low	90 Å²	90	115.4 Å²	115.4	47%	0.471	61%	0.612	S	S	.	*	H	α-helix	trans	-65.8	-42.3	174	-81	161.1	0	0	0	111.9	C10 V12 I16 L17 F18	C10-L14 WeakPolarHBondContact O-CB 3.42Å; C10-L14 WeakPolarHBondContact O-CG 3.48Å; C10-L14 PolarHBondContact O-N 2.87Å; V12-L14 PolarHBondContact O-N 3.01Å; L14-I16 VanDerWaalsContact C-N 3.33Å; L14-I16 PolarHBondContact O-N 2.85Å; L14-L17 PolarHBondContact O-N 2.8Å; L14-F18 WeakPolarHBondContact O-CD2 3.35Å; L14-F18 PolarHBondContact O-N 2.59Å
15	A	72.9	Confident	60.9	Low	49 Å²	49	117.4 Å²	117.4	41%	0.405	61%	0.613	S	S	.	*	H	α-helix	trans	-63	-39.4	175.9	0	0	0	0	0	112.1	L11 V12 F18 L19	L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.43Å; V12-A15 PolarHBondContact O-N 3Å; A15-F18 PolarHBondContact O-N 2.72Å; A15-L19 WeakPolarHBondContact O-CB 3.27Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.37Å; A15-L19 PolarHBondContact O-N 3.3Å
16	I	70.4	Confident	61	Low	84 Å²	84	116.7 Å²	116.7	43%	0.431	62%	0.615	S	S	.	*	H	α-helix	trans	-66.5	-41.1	175	-67.3	165.2	0	0	0	110.9	V12 A13 L14 F18 L19 W20	V12-I16 HydrophobicContact CG1-CD1 3.81Å; V12-I16 HydrophobicContact CG1-CG1 4.47Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 2.79Å; A13-I16 PolarHBondContact O-N 2.85Å; L14-I16 VanDerWaalsContact C-N 3.33Å; L14-I16 PolarHBondContact O-N 2.85Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 2.79Å; I16-L19 PolarHBondContact O-N 3.03Å; I16-W20 HydrophobicContact CG2-CE3 3.95Å; I16-W20 HydrophobicContact CG2-CZ3 4.23Å; I16-W20 WeakPolarHBondContact O-CB 3.38Å; I16-W20 PolarHBondContact O-N 3.04Å
17	L	66.4	Low	61.4	Low	112 Å²	112	119.4 Å²	119.4	59%	0.586	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-35.9	174.5	-79	164.2	0	0	0	112.8	A13 L14 W20 R21	A13-L17 WeakPolarHBondContact O-CB 3.4Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 2.8Å; L17-W20 PolarHBondContact O-N 3.18Å; L17-R21 PolarHBondContact O-N 2.83Å
18	F	61.7	Low	62.7	Low	162 Å²	162	117.1 Å²	117.1	71%	0.711	62%	0.621	S	S	*	*	H	α-helix	trans	-70.8	-36	173.9	-96.3	-80.5	0	0	0	112.6	L14 A15 I16 W20 R21	L14-F18 WeakPolarHBondContact O-CD2 3.35Å; L14-F18 PolarHBondContact O-N 2.59Å; A15-F18 PolarHBondContact O-N 2.72Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 2.79Å; F18-W20 VanDerWaalsContact C-N 3.34Å; F18-R21 PolarHBondContact O-N 2.67Å
19	L	61.2	Low	64.2	Low	133 Å²	133	112.8 Å²	112.8	70%	0.696	60%	0.599	S	S	*	*	H	α-helix	trans	-73.7	-25.9	174.6	-73	164.8	0	0	0	112.6	A15 I16 R21 V22	A15-L19 WeakPolarHBondContact O-CB 3.27Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.37Å; A15-L19 PolarHBondContact O-N 3.3Å; I16-L19 PolarHBondContact O-N 3.03Å; L19-R21 VanDerWaalsContact C-N 3.28Å; L19-V22 VanDerWaalsContact O-CG2 3.28Å; L19-V22 WeakPolarHBondContact O-CG2 3.38Å
20	W	56.6	Low	65.5	Low	210 Å²	210	114.4 Å²	114.4	80%	0.795	61%	0.61	S	S	*	*	H	α-helix	trans	-77.8	-13.6	175.5	-131.3	-39.4	0	0	0	113.5	I16 L17 F18 V22	I16-W20 HydrophobicContact CG2-CE3 3.95Å; I16-W20 HydrophobicContact CG2-CZ3 4.23Å; I16-W20 WeakPolarHBondContact O-CB 3.38Å; I16-W20 PolarHBondContact O-N 3.04Å; L17-W20 PolarHBondContact O-N 3.18Å; F18-W20 VanDerWaalsContact C-N 3.34Å; W20-V22 PolarHBondContact O-N 2.89Å
21	R	52.6	Low	66.8	Low	211 Å²	211	113 Å²	113	80%	0.796	60%	0.601	S	S	*	*			trans	-76.1	41.1	166	-69	-95.9	-156.1	164	5.2	110.8	L17 F18 L19 E23	L17-R21 PolarHBondContact O-N 2.83Å; F18-R21 PolarHBondContact O-N 2.67Å; L19-R21 VanDerWaalsContact C-N 3.28Å; R21-E23 PolarHBondContact O-N 3.1Å
22	V	54.1	Low	67.9	Low	121 Å²	121	113.3 Å²	113.3	73%	0.733	61%	0.611	S	S	*	*			trans	-60	111.3	160.3	-177.2	0	0	0	0	104.7	L19 W20 E24	L19-V22 VanDerWaalsContact O-CG2 3.28Å; L19-V22 WeakPolarHBondContact O-CG2 3.38Å; W20-V22 PolarHBondContact O-N 2.89Å; V22-E24 PolarHBondContact O-N 2.74Å
23	E	46.2	Very low	68.8	Low	149 Å²	149	111.1 Å²	111.1	70%	0.696	60%	0.599	S	S	*	*			trans	-51.2	111.3	-177	-71.8	164.5	132.3	0	0	109.5	R21 M25	R21-E23 PolarHBondContact O-N 3.1Å; E23-M25 HydrophobicContact CB-CE 3.39Å; E23-M25 HydrophobicContact CG-CE 3.76Å; E23-M25 PolarHBondContact O-N 2.81Å; E23-M25 VanDerWaalsContact OE2-CE 3.3Å; E23-M25 WeakPolarHBondContact OE2-CE 3.46Å
24	E	45.4	Very low	69.8	Low	192 Å²	192	110.8 Å²	110.8	90%	0.897	60%	0.596	S	S	*	*			trans	-60.2	96	144.4	-77.7	-175	160.2	0	0	104.9	V22 A26	V22-E24 PolarHBondContact O-N 2.74Å; E24-A26 VanDerWaalsContact C-N 3.26Å; E24-A26 PolarHBondContact O-N 2.8Å
25	M	47	Very low	71	Confident	129 Å²	129	106.5 Å²	106.5	64%	0.635	57%	0.574	S	S	*	*			trans	-56	99.5	166.2	-73	-79.5	106.3	0	0	105.9	E23 E27	E23-M25 HydrophobicContact CB-CE 3.39Å; E23-M25 HydrophobicContact CG-CE 3.76Å; E23-M25 PolarHBondContact O-N 2.81Å; E23-M25 VanDerWaalsContact OE2-CE 3.3Å; E23-M25 WeakPolarHBondContact OE2-CE 3.46Å; M25-E27 VanDerWaalsContact C-N 3.3Å; M25-E27 PolarHBondContact O-N 3.26Å
26	A	53.9	Low	72.2	Confident	93 Å²	93	104.4 Å²	104.4	77%	0.769	56%	0.556	S	S	*	*			trans	-63.8	98.2	171.3	0	0	0	0	0	106.9	E24 A28	E24-A26 VanDerWaalsContact C-N 3.26Å; E24-A26 PolarHBondContact O-N 2.8Å; A26-A28 PolarHBondContact O-N 2.8Å
27	E	62.5	Low	73.5	Confident	152 Å²	152	100.5 Å²	100.5	71%	0.71	54%	0.536	S	S	*	.			trans	-66.9	101.1	166.7	-72.9	-134.8	145.1	0	0	107.5	M25 C29	M25-E27 VanDerWaalsContact C-N 3.3Å; M25-E27 PolarHBondContact O-N 3.26Å; E27-C29 VanDerWaalsContact C-N 3.29Å
28	A	82.5	Confident	74.9	Confident	73 Å²	73	98 Å²	98	60%	0.603	52%	0.521	S	S	*	.			trans	-74.2	-21.5	-179.4	0	0	0	0	0	112.5	A26 A98	A26-A28 PolarHBondContact O-N 2.8Å; A28-A98 HydrophobicContact CB-CB 4.08Å; A28-A98 WeakPolarHBondContact CB-O 3.44Å
29	C	92.2	Very high	76.7	Confident	13 Å²	13	90.8 Å²	90.8	9%	0.088	49%	0.492	C	S	.	.			trans	-84.6	126.3	174.6	-175.2	0	0	0	0	110.6	E27 S97 C100 L128	E27-C29 VanDerWaalsContact C-N 3.29Å; C29-S97 VanDerWaalsContact CB-O 3.27Å; C29-S97 WeakPolarHBondContact CB-O 3.4Å; C29-C100 HydrophobicContact CB-CB 4.01Å; C29-C100 WeakPolarHBondContact CB-SG 3.44Å; C29-C100 WeakPolarHBondContact SG-CA 3.27Å; C29-C100 WeakPolarHBondContact SG-CB 3.44Å; C29-C100 CovalentContact SG-SG 2.04Å; C29-C100 PolarHBondContact SG-SG 2.84Å; C29-L128 HydrophobicContact CB-CD1 4.3Å
30	S	93.2	Very high	78.4	Confident	115 Å²	115	84.6 Å²	84.6	80%	0.804	46%	0.459	S	S	*	.			trans	-124.4	126.1	175.4	-169.3	0	0	0	0	110.3
31	C	92.9	Very high	80.4	Confident	49 Å²	49	75.9 Å²	75.9	33%	0.331	43%	0.43	S	S	.	.			trans	-113.7	141.1	-176.5	-58	0	0	0	0	111.1	P33 C129	C31-P33 WeakPolarHBondContact O-CD 2.87Å; C31-C129 VanDerWaalsContact CA-SG 3.53Å; C31-C129 HydrophobicContact CB-CB 3.66Å; C31-C129 WeakPolarHBondContact CB-SG 3.45Å; C31-C129 WeakPolarHBondContact SG-CA 3.36Å; C31-C129 WeakPolarHBondContact SG-CB 3.44Å; C31-C129 PolarHBondContact SG-N 3.26Å; C31-C129 VanDerWaalsContact SG-N 3.41Å; C31-C129 CovalentContact SG-SG 2.04Å; C31-C129 PolarHBondContact SG-SG 2.9Å
32	S	92.8	Very high	82.5	Confident	106 Å²	106	70.5 Å²	70.5	74%	0.741	42%	0.417	S	S	*	.			trans	-79.7	124.5	168.4	-172.9	0	0	0	0	109.4	A34	S32-A34 PolarHBondContact O-N 2.82Å
33	P	93.4	Very high	84.6	Confident	41 Å²	41	65 Å²	65	27%	0.266	38%	0.384	S	S	.	.			trans	-58.7	129.2	176.3	-27.6	37.2	0	0	0	112.1	C31 R160 W176 V185	C31-P33 WeakPolarHBondContact O-CD 2.87Å; P33-R160 VanDerWaalsContact CD-NH1 3.33Å; P33-W176 HydrophobicContact CB-CH2 4.16Å; P33-W176 HydrophobicContact CB-CZ3 4.32Å; P33-V185 HydrophobicContact CB-CB 4.28Å; P33-V185 HydrophobicContact CB-CG1 3.65Å; P33-V185 HydrophobicContact CG-CG1 3.91Å
34	A	95.6	Very high	87	Confident	43 Å²	43	61 Å²	61	36%	0.355	37%	0.367	S	S	.	.			trans	-117.1	138.5	176.3	0	0	0	0	0	110.1	S32 Q38	S32-A34 PolarHBondContact O-N 2.82Å; A34-Q38 HydrophobicContact CB-CB 4.48Å
35	H	97.4	Very high	89.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	33%	0.325	C	S	.	.			trans	-63	145.9	167.8	-178.5	-89	0	0	0	109.3	Q37 Q38 A39 I158 W176 Q189 A190 W205	H35-Q37 VanDerWaalsContact ND1-CB 3.29Å; H35-Q37 WeakPolarHBondContact ND1-CB 3.39Å; H35-Q37 PolarHBondContact ND1-N 2.81Å; H35-Q37 VanDerWaalsContact ND1-N 3.15Å; H35-Q37 PolarHBondContact O-N 2.81Å; H35-Q37 VanDerWaalsContact O-N 3.09Å; H35-Q38 HydrophobicContact CB-CB 4.36Å; H35-Q38 WeakPolarHBondContact O-CA 3.34Å; H35-Q38 VanDerWaalsContact O-CB 3.3Å; H35-Q38 WeakPolarHBondContact O-CB 3.34Å; H35-Q38 PolarHBondContact O-N 2.91Å; H35-A39 PolarHBondContact O-N 2.77Å; H35-I158 HydrophobicContact CB-CD1 4.07Å; H35-I158 HydrophobicContact CB-CG2 4.11Å; H35-W176 HydrophobicContact CB-CD2 4.38Å; H35-W176 HydrophobicContact CB-CE3 4.35Å; H35-Q189 PolarHBondContact NE2-O 2.89Å; H35-A190 WeakPolarHBondContact NE2-CA 3.26Å; H35-W205 AromaticContact CD2-CH2 3.79Å; H35-W205 AromaticContact CE1-CZ3 3.91Å; H35-W205 AromaticContact NE2-CH2 3.63Å; H35-W205 AromaticContact NE2-CZ3 3.7Å
36	P	97.4	Very high	92	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.032	30%	0.295	C	S	.	.	H	α-helix	trans	-53.2	-36.2	-177.7	-31.1	37.1	0	0	0	114.7	A39 F40 F131 Y150 A190	P36-A39 PolarHBondContact O-N 2.79Å; P36-F40 WeakPolarHBondContact O-CB 3.45Å; P36-F40 PolarHBondContact O-N 2.96Å; P36-F131 HydrophobicContact CB-CD1 4.38Å; P36-F131 HydrophobicContact CB-CE1 3.86Å; P36-F131 HydrophobicContact CB-CE2 4.42Å; P36-F131 HydrophobicContact CB-CZ 3.9Å; P36-F131 HydrophobicContact CG-CE1 4.29Å; P36-F131 HydrophobicContact CG-CE2 4.05Å; P36-F131 HydrophobicContact CG-CZ 3.8Å; P36-Y150 HydrophobicContact CB-CE2 4.47Å; P36-A190 HydrophobicContact CG-CB 4.43Å
37	Q	97.6	Very high	94.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-42.9	171.9	-177.6	171.2	-28.1	0	0	112.6	H35 F40 C41 Y150 G153 I158 C195	H35-Q37 VanDerWaalsContact ND1-CB 3.29Å; H35-Q37 WeakPolarHBondContact ND1-CB 3.39Å; H35-Q37 PolarHBondContact ND1-N 2.81Å; H35-Q37 VanDerWaalsContact ND1-N 3.15Å; H35-Q37 PolarHBondContact O-N 2.81Å; H35-Q37 VanDerWaalsContact O-N 3.09Å; Q37-F40 WeakPolarHBondContact O-CB 3.48Å; Q37-F40 PolarHBondContact O-N 2.8Å; Q37-C41 WeakPolarHBondContact O-CB 3.35Å; Q37-C41 PolarHBondContact O-N 2.84Å; Q37-C41 PolarHBondContact O-SG 3.39Å; Q37-Y150 HydrophobicContact CB-CD1 3.35Å; Q37-Y150 HydrophobicContact CB-CE1 3.59Å; Q37-Y150 HydrophobicContact CB-CG 4.09Å; Q37-Y150 HydrophobicContact CG-CD1 3.53Å; Q37-Y150 HydrophobicContact CG-CE1 4.25Å; Q37-Y150 HydrophobicContact CG-CG 4.14Å; Q37-G153 VanDerWaalsContact NE2-C 3.3Å; Q37-G153 PolarHBondContact NE2-O 3.21Å; Q37-I158 HydrophobicContact CB-CD1 3.87Å; Q37-I158 HydrophobicContact CG-CD1 4.15Å; Q37-C195 PolarHBondContact NE2-O 3.08Å; Q37-C195 PolarHBondContact OE1-O 3.32Å
38	Q	97.6	Very high	95.8	Very high	58 Å²	58	36.8 Å²	36.8	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-69.8	-38.3	-178	-145.8	172.2	-18.1	0	0	110.3	A34 H35 C41 N42	A34-Q38 HydrophobicContact CB-CB 4.48Å; H35-Q38 HydrophobicContact CB-CB 4.36Å; H35-Q38 WeakPolarHBondContact O-CA 3.34Å; H35-Q38 VanDerWaalsContact O-CB 3.3Å; H35-Q38 WeakPolarHBondContact O-CB 3.34Å; H35-Q38 PolarHBondContact O-N 2.91Å; Q38-C41 PolarHBondContact O-N 2.9Å; Q38-N42 VanDerWaalsContact O-CB 3.22Å; Q38-N42 WeakPolarHBondContact O-CB 3.37Å; Q38-N42 PolarHBondContact O-N 2.78Å; Q38-N42 PolarHBondContact O-ND2 3.02Å
39	A	97.7	Very high	96.5	Very high	11 Å²	11	33.3 Å²	33.3	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-48	169.7	0	0	0	0	0	111.5	H35 P36 C41 N42 S43 F131	H35-A39 PolarHBondContact O-N 2.77Å; P36-A39 PolarHBondContact O-N 2.79Å; A39-C41 VanDerWaalsContact C-N 3.35Å; A39-C41 PolarHBondContact O-N 2.76Å; A39-N42 PolarHBondContact O-N 3.11Å; A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 2.8Å; A39-S43 PolarHBondContact O-OG 2.68Å; A39-F131 HydrophobicContact CB-CB 3.41Å; A39-F131 VanDerWaalsContact CB-CB 3.41Å; A39-F131 HydrophobicContact CB-CG 4.19Å
40	F	98.1	Very high	96.7	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-56.7	-45.7	175.4	179.5	-81	0	0	0	112.8	P36 Q37 V46 F81 K82 L146 Y150 E151	P36-F40 WeakPolarHBondContact O-CB 3.45Å; P36-F40 PolarHBondContact O-N 2.96Å; Q37-F40 WeakPolarHBondContact O-CB 3.48Å; Q37-F40 PolarHBondContact O-N 2.8Å; F40-V46 HydrophobicContact CD2-CB 4.17Å; F40-V46 HydrophobicContact CD2-CG1 3.94Å; F40-V46 HydrophobicContact CD2-CG2 3.84Å; F40-V46 HydrophobicContact CE2-CB 4.22Å; F40-V46 HydrophobicContact CE2-CG1 4.22Å; F40-V46 HydrophobicContact CE2-CG2 4.2Å; F40-V46 HydrophobicContact CG-CG2 4.37Å; F40-F81 HydrophobicContact CE2-CB 4.03Å; F40-K82 HydrophobicContact CE1-CD 4.14Å; F40-K82 HydrophobicContact CE2-CB 4.23Å; F40-K82 HydrophobicContact CZ-CB 4Å; F40-K82 HydrophobicContact CZ-CD 4.29Å; F40-K82 PolarHBondContact O-NZ 3.42Å; F40-K82 VanDerWaalsContact O-NZ 3.1Å; F40-L146 HydrophobicContact CD2-CD2 3.85Å; F40-L146 HydrophobicContact CE2-CD2 4.33Å; F40-Y150 HydrophobicContact CB-CD2 4.09Å; F40-Y150 HydrophobicContact CB-CG 4.32Å; F40-Y150 VanDerWaalsContact CD1-CB 3.41Å; F40-Y150 HydrophobicContact CD2-CD2 4.18Å; F40-Y150 HydrophobicContact CG-CD2 4.11Å; F40-Y150 HydrophobicContact CG-CG 4.28Å; F40-E151 HydrophobicContact CE1-CB 3.92Å; F40-E151 WeakPolarHBondContact CE1-OE2 3.06Å; F40-E151 HydrophobicContact CZ-CB 4.35Å
41	C	97.6	Very high	96.8	Very high	28 Å²	28	30.5 Å²	30.5	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-69.4	-40.1	-178.9	-65.9	0	0	0	0	112.5	Q37 Q38 A39 K82 Y150 C154	Q37-C41 WeakPolarHBondContact O-CB 3.35Å; Q37-C41 PolarHBondContact O-N 2.84Å; Q37-C41 PolarHBondContact O-SG 3.39Å; Q38-C41 PolarHBondContact O-N 2.9Å; A39-C41 VanDerWaalsContact C-N 3.35Å; A39-C41 PolarHBondContact O-N 2.76Å; C41-K82 PolarHBondContact O-NZ 3.06Å; C41-Y150 PolarHBondContact SG-O 3.16Å; C41-C154 WeakPolarHBondContact CA-SG 3.02Å; C41-C154 HydrophobicContact CB-CB 3.79Å; C41-C154 WeakPolarHBondContact CB-SG 3.27Å; C41-C154 WeakPolarHBondContact SG-CA 3.07Å; C41-C154 WeakPolarHBondContact SG-CB 3.21Å; C41-C154 CovalentContact SG-SG 2.04Å; C41-C154 PolarHBondContact SG-SG 3.47Å
42	N	97	Very high	96.9	Very high	98 Å²	98	32.6 Å²	32.6	52%	0.524	19%	0.189	S	C	.	.	H	α-helix	trans	-77.5	-21	-177.9	-68.7	-13.9	0	0	0	113.2	Q38 A39 K117	Q38-N42 VanDerWaalsContact O-CB 3.22Å; Q38-N42 WeakPolarHBondContact O-CB 3.37Å; Q38-N42 PolarHBondContact O-N 2.78Å; Q38-N42 PolarHBondContact O-ND2 3.02Å; A39-N42 PolarHBondContact O-N 3.11Å; N42-K117 WeakPolarHBondContact O-CE 3.49Å; N42-K117 PolarHBondContact O-NZ 3.37Å
43	S	97.9	Very high	96.9	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.028	16%	0.162	C	C	.	.			trans	-83	151	177.8	-64.1	0	0	0	0	112.3	A39 K82 T115 G116	A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 2.8Å; A39-S43 PolarHBondContact O-OG 2.68Å; S43-K82 VanDerWaalsContact O-CE 3.25Å; S43-K82 WeakPolarHBondContact O-CE 3.35Å; S43-K82 PolarHBondContact O-NZ 3.45Å; S43-T115 WeakPolarHBondContact OG-CB 3.44Å; S43-G116 WeakPolarHBondContact CB-O 2.82Å
44	D	97.6	Very high	97	Very high	67 Å²	67	31.1 Å²	31.1	36%	0.358	17%	0.173	S	C	.	.	S	Bend	trans	-88.3	-31.2	177.4	-47.1	-29.2	0	0	0	110	G83 G116 K117 L118	D44-G83 WeakPolarHBondContact O-CA 3.11Å; D44-G116 PolarHBondContact N-O 2.87Å; D44-K117 IonicContact OD1-NZ 2.7Å; D44-K117 PolarHBondContact OD1-NZ 2.75Å; D44-K117 WeakPolarHBondContact OD2-CA 3.27Å; D44-K117 WeakPolarHBondContact OD2-CD 3.36Å; D44-K117 IonicContact OD2-NZ 2.89Å; D44-L118 HydrophobicContact CB-CB 4Å; D44-L118 PolarHBondContact OD2-N 3.4Å
45	V	98.1	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.5	-179.4	-178	0	0	0	0	110.1	I47 K82 I88 T115 G116 L118 M124	V45-I47 HydrophobicContact CG1-CG2 3.76Å; V45-K82 CarbonylContact C-O 3.57Å; V45-K82 WeakPolarHBondContact CA-O 3.45Å; V45-I88 HydrophobicContact CG1-CG1 4.02Å; V45-T115 WeakPolarHBondContact O-CA 3.48Å; V45-G116 PolarHBondContact N-O 3.35Å; V45-G116 VanDerWaalsContact N-O 3.15Å; V45-G116 PolarHBondContact O-N 2.99Å; V45-L118 HydrophobicContact CG2-CB 4.09Å; V45-L118 HydrophobicContact CG2-CD1 3.98Å; V45-M124 HydrophobicContact CB-CE 4.06Å; V45-M124 HydrophobicContact CB-CG 4.39Å; V45-M124 HydrophobicContact CB-SD 4.09Å; V45-M124 HydrophobicContact CG1-CE 4.01Å; V45-M124 HydrophobicContact CG1-CG 4.49Å; V45-M124 HydrophobicContact CG1-SD 3.68Å
46	V	98.3	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	113.8	173.9	-175.8	0	0	0	0	108.9	F40 F81 K82 L113 I114 T115 L146	F40-V46 HydrophobicContact CD2-CB 4.17Å; F40-V46 HydrophobicContact CD2-CG1 3.94Å; F40-V46 HydrophobicContact CD2-CG2 3.84Å; F40-V46 HydrophobicContact CE2-CB 4.22Å; F40-V46 HydrophobicContact CE2-CG1 4.22Å; F40-V46 HydrophobicContact CE2-CG2 4.2Å; F40-V46 HydrophobicContact CG-CG2 4.37Å; V46-F81 HydrophobicContact CB-CB 4.27Å; V46-F81 HydrophobicContact CG1-CB 4.13Å; V46-F81 HydrophobicContact CG1-CD2 4.11Å; V46-F81 PolarHBondContact O-N 3.06Å; V46-K82 HydrophobicContact CB-CB 4.01Å; V46-K82 HydrophobicContact CG2-CB 3.99Å; V46-K82 HydrophobicContact CG2-CD 4.38Å; V46-K82 PolarHBondContact N-O 2.84Å; V46-K82 PolarHBondContact O-N 3.44Å; V46-L113 HydrophobicContact CG1-CD1 3.82Å; V46-I114 WeakPolarHBondContact CA-O 3.46Å; V46-T115 HydrophobicContact CB-CG2 4.44Å; V46-T115 HydrophobicContact CG1-CG2 3.93Å; V46-T115 HydrophobicContact CG2-CG2 3.96Å; V46-L146 HydrophobicContact CG1-CD2 4.18Å
47	I	98.2	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152	-174.4	59.7	175	0	0	0	111.8	V45 A49 Q77 K79 M80 I88 I91 L113 I114 M124	V45-I47 HydrophobicContact CG1-CG2 3.76Å; I47-A49 HydrophobicContact CD1-CB 4.09Å; I47-A49 HydrophobicContact CG1-CB 4.42Å; I47-Q77 HydrophobicContact CB-CG 4.38Å; I47-Q77 HydrophobicContact CG2-CG 4.3Å; I47-K79 CarbonylContact C-O 3.54Å; I47-K79 WeakPolarHBondContact CA-O 3.08Å; I47-M80 HydrophobicContact CG2-CB 4.2Å; I47-M80 HydrophobicContact CG2-CE 4.36Å; I47-M80 HydrophobicContact CG2-CG 4.03Å; I47-I88 HydrophobicContact CD1-CB 4.13Å; I47-I88 HydrophobicContact CD1-CG2 4.23Å; I47-I91 HydrophobicContact CD1-CD1 4.1Å; I47-L113 WeakPolarHBondContact O-CA 3.27Å; I47-I114 HydrophobicContact CG1-CB 4.17Å; I47-I114 PolarHBondContact N-O 2.87Å; I47-I114 PolarHBondContact O-N 3.1Å; I47-M124 HydrophobicContact CD1-SD 3.92Å; I47-M124 HydrophobicContact CG1-SD 4.33Å
48	R	98	Very high	96.4	Very high	56 Å²	56	47.7 Å²	47.7	21%	0.211	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.2	159.1	179	-177.3	177.3	-178.9	0.4	107.6	I78 K79 F81 E111 Y112 W135	R48-I78 HydrophobicContact CG-CB 4.26Å; R48-I78 HydrophobicContact CG-CD1 4.28Å; R48-I78 WeakPolarHBondContact O-CA 3.43Å; R48-I78 WeakPolarHBondContact O-CB 3.37Å; R48-I78 PolarHBondContact O-N 3.19Å; R48-K79 HydrophobicContact CB-CB 4.37Å; R48-K79 PolarHBondContact N-O 3.26Å; R48-K79 PolarHBondContact O-N 3.18Å; R48-K79 VanDerWaalsContact O-N 3.15Å; R48-F81 HydrophobicContact CB-CE2 3.85Å; R48-F81 HydrophobicContact CB-CZ 4.35Å; R48-E111 IonicContact CZ-OE2 2.68Å; R48-E111 IonicContact NE-OE2 2.78Å; R48-E111 PolarHBondContact NE-OE2 2.04Å; R48-E111 IonicContact NH2-OE2 3.1Å; R48-E111 PolarHBondContact NH2-OE2 3.15Å; R48-Y112 CarbonylContact C-O 3.54Å; R48-Y112 VanDerWaalsContact CA-O 3.27Å; R48-Y112 WeakPolarHBondContact CA-O 3.31Å; R48-W135 HydrophobicContact CB-CE3 4.34Å; R48-W135 HydrophobicContact CB-CZ3 4.42Å; R48-W135 HydrophobicContact CG-CD2 4.16Å; R48-W135 HydrophobicContact CG-CE3 3.92Å; R48-W135 HydrophobicContact CG-CZ3 4.4Å; R48-W135 VanDerWaalsContact CZ-CD1 3.43Å; R48-W135 VanDerWaalsContact NH1-CE2 3.3Å; R48-W135 VanDerWaalsContact NH2-NE1 3.17Å
49	A	97.1	Very high	95.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163	-176.1	0	0	0	0	0	112.6	I47 V75 K76 Y112 I114	I47-A49 HydrophobicContact CD1-CB 4.09Å; I47-A49 HydrophobicContact CG1-CB 4.42Å; A49-V75 HydrophobicContact CB-CB 4.24Å; A49-K76 WeakPolarHBondContact CA-O 3.36Å; A49-Y112 PolarHBondContact N-O 2.88Å; A49-Y112 PolarHBondContact O-N 3.04Å; A49-I114 HydrophobicContact CB-CD1 4.42Å
50	K	96.4	Very high	95.3	Very high	64 Å²	64	49.1 Å²	49.1	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.6	166.5	-71.6	179.5	178.1	167.8	0	109.3	V75 K76 I78 E111	K50-V75 CarbonylContact O-C 3.56Å; K50-V75 VanDerWaalsContact O-CA 3.27Å; K50-V75 WeakPolarHBondContact O-CA 3.49Å; K50-K76 PolarHBondContact N-O 2.83Å; K50-K76 PolarHBondContact O-N 2.63Å; K50-I78 HydrophobicContact CD-CD1 4.37Å; K50-I78 HydrophobicContact CG-CD1 4Å; K50-E111 HydrophobicContact CD-CG 4.1Å; K50-E111 WeakPolarHBondContact CE-OE1 3.42Å; K50-E111 HydrophobicContact CG-CG 3.69Å; K50-E111 IonicContact NZ-OE1 3.71Å; K50-E111 PolarHBondContact NZ-OE1 3.49Å
51	V	95.6	Very high	94.8	Very high	6 Å²	6	54 Å²	54	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.7	169.5	-175.1	0	0	0	0	108.2	F73 V75 L104 T106	V51-F73 HydrophobicContact CG1-CB 4.19Å; V51-F73 HydrophobicContact CG1-CD1 3.68Å; V51-F73 HydrophobicContact CG1-CE1 4.49Å; V51-F73 HydrophobicContact CG1-CG 4.26Å; V51-V75 HydrophobicContact CG2-CG1 4.27Å; V51-L104 HydrophobicContact CG2-CB 3.84Å; V51-L104 HydrophobicContact CG2-CD1 3.67Å; V51-L104 HydrophobicContact CG2-CG 4.37Å; V51-T106 HydrophobicContact CG1-CG2 3.88Å
52	V	94.8	Very high	94.3	Very high	92 Å²	92	55.5 Å²	55.5	56%	0.558	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	-19.4	-178.3	-62.2	0	0	0	0	112.9	D74 K76	V52-D74 HydrophobicContact CG2-CB 3.85Å; V52-D74 WeakPolarHBondContact CG2-O 3.46Å; V52-D74 PolarHBondContact N-O 3.33Å; V52-K76 HydrophobicContact CG1-CB 4.01Å
53	G	94.1	Very high	93.8	Very high	17 Å²	17	57.6 Å²	57.6	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	160.9	-179.5	0	0	0	0	0	111.9	F73 D74	G53-F73 WeakPolarHBondContact O-CA 3.35Å; G53-D74 PolarHBondContact N-O 3.22Å; G53-D74 PolarHBondContact O-N 3.07Å
54	M	94.8	Very high	93.3	Very high	100 Å²	100	67 Å²	67	49%	0.493	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.7	174.2	176.6	-173	167.2	0	0	108.4	I71 R72 F73 T106	M54-I71 HydrophobicContact CE-CD1 3.84Å; M54-I71 HydrophobicContact CE-CG1 4.23Å; M54-I71 HydrophobicContact CE-CG2 3.65Å; M54-I71 HydrophobicContact CG-CG2 3.67Å; M54-I71 HydrophobicContact SD-CG2 4.26Å; M54-R72 CarbonylContact C-O 3.52Å; M54-R72 WeakPolarHBondContact CA-O 3.42Å; M54-F73 HydrophobicContact CB-CD1 3.82Å; M54-F73 HydrophobicContact CB-CE1 3.76Å; M54-F73 HydrophobicContact CG-CD1 3.98Å; M54-F73 HydrophobicContact CG-CE1 3.57Å; M54-F73 HydrophobicContact CG-CZ 4.33Å; M54-F73 HydrophobicContact SD-CE1 3.77Å; M54-F73 HydrophobicContact SD-CZ 4.27Å; M54-T106 HydrophobicContact CB-CG2 3.66Å
55	Q	95.1	Very high	92.8	Very high	105 Å²	105	65.9 Å²	65.9	49%	0.491	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.3	179.1	-55.3	-178.1	37.6	0	0	109.2	R72 D74	Q55-R72 PolarHBondContact N-O 3.25Å; Q55-R72 PolarHBondContact O-N 3.28Å; Q55-D74 PolarHBondContact NE2-OD2 2.93Å
56	E	94.3	Very high	92.3	Very high	108 Å²	108	70.1 Å²	70.1	51%	0.505	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.2	168.6	-171.2	176.5	136.4	0	0	108.4	K69 I71	E56-K69 HydrophobicContact CG-CB 4.23Å; E56-K69 HydrophobicContact CG-CG 4.4Å; E56-K69 WeakPolarHBondContact OE1-CD 3.16Å; E56-K69 VanDerWaalsContact OE1-CE 3.27Å; E56-K69 WeakPolarHBondContact OE1-CE 3.44Å; E56-K69 WeakPolarHBondContact OE1-CG 3.45Å; E56-K69 IonicContact OE1-NZ 3.02Å; E56-K69 PolarHBondContact OE1-NZ 3.31Å; E56-I71 HydrophobicContact CB-CD1 4.02Å; E56-I71 HydrophobicContact CG-CD1 3.99Å
57	V	94.2	Very high	91.9	Very high	41 Å²	41	73 Å²	73	25%	0.248	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	143	-177.4	-61.3	0	0	0	0	110.2	R70 R72 Y92	V57-R70 HydrophobicContact CG2-CB 4.06Å; V57-R70 WeakPolarHBondContact CG2-O 3.37Å; V57-R70 PolarHBondContact N-O 2.89Å; V57-R70 PolarHBondContact O-N 2.96Å; V57-R72 HydrophobicContact CG1-CB 4.09Å; V57-R72 HydrophobicContact CG2-CB 4.16Å; V57-Y92 HydrophobicContact CG2-CD1 4.36Å; V57-Y92 HydrophobicContact CG2-CE1 4.05Å
58	E	91.3	Very high	91.4	Very high	144 Å²	144	76.3 Å²	76.3	67%	0.673	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.9	174.3	-64.8	-177.8	173.1	0	0	109.8	P67 I68	E58-P67 HydrophobicContact CG-CB 4.44Å; E58-I68 CarbonylContact C-O 3.58Å; E58-I68 WeakPolarHBondContact CA-O 3.47Å
59	S	86.3	Confident	91.1	Very high	51 Å²	51	78.2 Å²	78.2	36%	0.357	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	61.7	-173.2	-176.1	0	0	0	0	110.2	I68	S59-I68 PolarHBondContact N-O 3.3Å
60	G	86.2	Confident	91	Very high	47 Å²	47	81 Å²	81	49%	0.485	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-163.9	-178.5	0	0	0	0	0	113.2	P67 I68	G60-P67 WeakPolarHBondContact O-CA 3.49Å; G60-I68 PolarHBondContact O-N 2.86Å
61	N	88.8	Confident	91	Very high	107 Å²	107	78.4 Å²	78.4	57%	0.572	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.7	-176.2	-63.8	-12.5	0	0	0	111.2	N66	N61-N66 CarbonylContact C-O 3.55Å; N61-N66 WeakPolarHBondContact CA-O 3.31Å
62	D	85.9	Confident	91	Very high	58 Å²	58	81.5 Å²	81.5	31%	0.31	44%	0.436	S	S	.	.			trans	-73.2	179.5	172.8	74.4	8.4	0	0	0	111.9	Y64 G65 N66 I68	D62-Y64 PolarHBondContact O-N 2.81Å; D62-Y64 VanDerWaalsContact O-N 3.11Å; D62-Y64 VanDerWaalsContact OD1-C 3.23Å; D62-Y64 VanDerWaalsContact OD1-CA 3.27Å; D62-Y64 WeakPolarHBondContact OD1-CA 3.19Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.25Å; D62-Y64 PolarHBondContact OD1-N 3.15Å; D62-G65 PolarHBondContact O-N 2.89Å; D62-G65 PolarHBondContact OD1-N 2.98Å; D62-N66 PolarHBondContact N-O 2.94Å; D62-N66 PolarHBondContact OD1-N 2.9Å; D62-N66 PolarHBondContact OD1-ND2 3.34Å; D62-N66 WeakPolarHBondContact OD2-CB 3.07Å; D62-N66 PolarHBondContact OD2-ND2 2.8Å; D62-I68 HydrophobicContact CB-CD1 4.24Å; D62-I68 HydrophobicContact CB-CG1 4.02Å
63	V	87.1	Confident	91.1	Very high	142 Å²	142	77.2 Å²	77.2	86%	0.861	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.3	179.5	-176	0	0	0	0	112.4
64	Y	87.8	Confident	91.2	Very high	201 Å²	201	78 Å²	78	79%	0.788	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	1.6	179.7	-56.2	-71.3	0	0	0	113.1	D62	D62-Y64 PolarHBondContact O-N 2.81Å; D62-Y64 VanDerWaalsContact O-N 3.11Å; D62-Y64 VanDerWaalsContact OD1-C 3.23Å; D62-Y64 VanDerWaalsContact OD1-CA 3.27Å; D62-Y64 WeakPolarHBondContact OD1-CA 3.19Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.25Å; D62-Y64 PolarHBondContact OD1-N 3.15Å
65	G	86.8	Confident	91.2	Very high	45 Å²	45	73.7 Å²	73.7	46%	0.464	39%	0.39	S	S	.	.	S	Bend	trans	85	8.5	179.8	0	0	0	0	0	115.1	D62	D62-G65 PolarHBondContact O-N 2.89Å; D62-G65 PolarHBondContact OD1-N 2.98Å
66	N	88.4	Confident	91.2	Very high	88 Å²	88	75.5 Å²	75.5	47%	0.471	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-81.1	142.5	175.5	-50.9	-63.4	0	0	0	110.8	N61 D62 I68	N61-N66 CarbonylContact C-O 3.55Å; N61-N66 WeakPolarHBondContact CA-O 3.31Å; D62-N66 PolarHBondContact N-O 2.94Å; D62-N66 PolarHBondContact OD1-N 2.9Å; D62-N66 PolarHBondContact OD1-ND2 3.34Å; D62-N66 WeakPolarHBondContact OD2-CB 3.07Å; D62-N66 PolarHBondContact OD2-ND2 2.8Å; N66-I68 PolarHBondContact O-N 2.93Å
67	P	88.2	Confident	91.3	Very high	61 Å²	61	72 Å²	72	40%	0.396	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.6	178	26.8	-33.5	0	0	0	111	E58 G60	E58-P67 HydrophobicContact CG-CB 4.44Å; G60-P67 WeakPolarHBondContact O-CA 3.49Å
68	I	88.8	Confident	91.4	Very high	70 Å²	70	73.6 Å²	73.6	36%	0.359	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.8	173.6	-63.6	169.9	0	0	0	107.7	E58 S59 G60 D62 N66	E58-I68 CarbonylContact C-O 3.58Å; E58-I68 WeakPolarHBondContact CA-O 3.47Å; S59-I68 PolarHBondContact N-O 3.3Å; G60-I68 PolarHBondContact O-N 2.86Å; D62-I68 HydrophobicContact CB-CD1 4.24Å; D62-I68 HydrophobicContact CB-CG1 4.02Å; N66-I68 PolarHBondContact O-N 2.93Å
69	K	92.4	Very high	91.7	Very high	96 Å²	96	71.3 Å²	71.3	42%	0.417	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.2	176.1	-70.4	153.9	165.6	-120.2	0	109.9	E56 P95	E56-K69 HydrophobicContact CG-CB 4.23Å; E56-K69 HydrophobicContact CG-CG 4.4Å; E56-K69 WeakPolarHBondContact OE1-CD 3.16Å; E56-K69 VanDerWaalsContact OE1-CE 3.27Å; E56-K69 WeakPolarHBondContact OE1-CE 3.44Å; E56-K69 WeakPolarHBondContact OE1-CG 3.45Å; E56-K69 IonicContact OE1-NZ 3.02Å; E56-K69 PolarHBondContact OE1-NZ 3.31Å; K69-P95 WeakPolarHBondContact O-CD 3.39Å
70	R	94.3	Very high	92.3	Very high	59 Å²	59	71 Å²	71	22%	0.223	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.4	169.7	-73.8	-175.9	164.5	-164.4	-13.8	108.7	V57 Y92 E119	V57-R70 HydrophobicContact CG2-CB 4.06Å; V57-R70 WeakPolarHBondContact CG2-O 3.37Å; V57-R70 PolarHBondContact N-O 2.89Å; V57-R70 PolarHBondContact O-N 2.96Å; R70-Y92 HydrophobicContact CB-CD1 4.49Å; R70-E119 IonicContact CZ-OE1 3.21Å; R70-E119 IonicContact CZ-OE2 3.65Å; R70-E119 IonicContact NH1-OE1 2.59Å; R70-E119 PolarHBondContact NH1-OE1 2.96Å; R70-E119 VanDerWaalsContact NH1-OE1 3.1Å; R70-E119 IonicContact NH1-OE2 2.86Å; R70-E119 PolarHBondContact NH1-OE2 2.94Å; R70-E119 IonicContact NH2-OE1 3.21Å; R70-E119 PolarHBondContact NH2-OE1 2.94Å; R70-E119 IonicContact NH2-OE2 3.7Å
71	I	96.2	Very high	92.8	Very high	9 Å²	9	70.4 Å²	70.4	5%	0.046	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.3	170.3	-57.1	-59.6	0	0	0	107.5	M54 E56 F73 Y92 T93 P95	M54-I71 HydrophobicContact CE-CD1 3.84Å; M54-I71 HydrophobicContact CE-CG1 4.23Å; M54-I71 HydrophobicContact CE-CG2 3.65Å; M54-I71 HydrophobicContact CG-CG2 3.67Å; M54-I71 HydrophobicContact SD-CG2 4.26Å; E56-I71 HydrophobicContact CB-CD1 4.02Å; E56-I71 HydrophobicContact CG-CD1 3.99Å; I71-F73 HydrophobicContact CG2-CD2 4.31Å; I71-F73 HydrophobicContact CG2-CE1 4.17Å; I71-F73 HydrophobicContact CG2-CE2 3.9Å; I71-F73 HydrophobicContact CG2-CZ 3.8Å; I71-Y92 CarbonylContact O-C 3.52Å; I71-Y92 VanDerWaalsContact O-CA 3.29Å; I71-Y92 WeakPolarHBondContact O-CA 3.25Å; I71-T93 HydrophobicContact CB-CG2 3.83Å; I71-T93 HydrophobicContact CG2-CG2 4.27Å; I71-T93 PolarHBondContact N-O 2.83Å; I71-T93 PolarHBondContact O-N 2.8Å; I71-P95 HydrophobicContact CD1-CB 4.19Å; I71-P95 HydrophobicContact CG1-CB 4.06Å
72	R	96.3	Very high	93.2	Very high	71 Å²	71	67.5 Å²	67.5	27%	0.268	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.5	171.1	177.3	-175.6	171.2	138.2	8.1	108.6	M54 Q55 V57 D74 A90 I91 Y92	M54-R72 CarbonylContact C-O 3.52Å; M54-R72 WeakPolarHBondContact CA-O 3.42Å; Q55-R72 PolarHBondContact N-O 3.25Å; Q55-R72 PolarHBondContact O-N 3.28Å; V57-R72 HydrophobicContact CG1-CB 4.09Å; V57-R72 HydrophobicContact CG2-CB 4.16Å; R72-D74 IonicContact CZ-OD1 3.62Å; R72-D74 IonicContact NE-OD1 2.95Å; R72-D74 PolarHBondContact NE-OD1 3.13Å; R72-D74 IonicContact NH2-OD1 3.43Å; R72-D74 PolarHBondContact NH2-OD1 2.99Å; R72-A90 HydrophobicContact CG-CB 4.28Å; R72-I91 CarbonylContact C-O 3.54Å; R72-I91 WeakPolarHBondContact CA-O 3.35Å; R72-Y92 HydrophobicContact CB-CD1 4.17Å; R72-Y92 HydrophobicContact CB-CE1 3.89Å; R72-Y92 HydrophobicContact CG-CE1 4.02Å; R72-Y92 PolarHBondContact NH1-OH 3.03Å
73	F	96.5	Very high	93.7	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.5	166	-68.5	-67.3	0	0	0	109.3	V51 G53 M54 I71 V75 A90 I91 T93 L104 T106	V51-F73 HydrophobicContact CG1-CB 4.19Å; V51-F73 HydrophobicContact CG1-CD1 3.68Å; V51-F73 HydrophobicContact CG1-CE1 4.49Å; V51-F73 HydrophobicContact CG1-CG 4.26Å; G53-F73 WeakPolarHBondContact O-CA 3.35Å; M54-F73 HydrophobicContact CB-CD1 3.82Å; M54-F73 HydrophobicContact CB-CE1 3.76Å; M54-F73 HydrophobicContact CG-CD1 3.98Å; M54-F73 HydrophobicContact CG-CE1 3.57Å; M54-F73 HydrophobicContact CG-CZ 4.33Å; M54-F73 HydrophobicContact SD-CE1 3.77Å; M54-F73 HydrophobicContact SD-CZ 4.27Å; I71-F73 HydrophobicContact CG2-CD2 4.31Å; I71-F73 HydrophobicContact CG2-CE1 4.17Å; I71-F73 HydrophobicContact CG2-CE2 3.9Å; I71-F73 HydrophobicContact CG2-CZ 3.8Å; F73-V75 HydrophobicContact CB-CG1 4.3Å; F73-A90 WeakPolarHBondContact O-CA 3.48Å; F73-I91 HydrophobicContact CB-CB 4.46Å; F73-I91 PolarHBondContact N-O 3Å; F73-I91 PolarHBondContact O-N 3.5Å; F73-T93 HydrophobicContact CD2-CG2 4.15Å; F73-T93 HydrophobicContact CE2-CG2 3.58Å; F73-L104 HydrophobicContact CD2-CD1 4.08Å; F73-L104 HydrophobicContact CE1-CB 4.18Å; F73-L104 HydrophobicContact CE2-CB 4.49Å; F73-L104 HydrophobicContact CE2-CD1 4.2Å; F73-L104 HydrophobicContact CE2-CG 4.25Å; F73-L104 HydrophobicContact CG-CD1 4.39Å; F73-L104 HydrophobicContact CZ-CB 4.15Å; F73-L104 HydrophobicContact CZ-CG 4.37Å; F73-T106 HydrophobicContact CE1-CG2 4.38Å
74	D	95.1	Very high	94	Very high	33 Å²	33	61.8 Å²	61.8	18%	0.176	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.7	167.9	-60.7	-49.7	0	0	0	107.5	V52 G53 Q55 R72	V52-D74 HydrophobicContact CG2-CB 3.85Å; V52-D74 WeakPolarHBondContact CG2-O 3.46Å; V52-D74 PolarHBondContact N-O 3.33Å; G53-D74 PolarHBondContact N-O 3.22Å; G53-D74 PolarHBondContact O-N 3.07Å; Q55-D74 PolarHBondContact NE2-OD2 2.93Å; R72-D74 IonicContact CZ-OD1 3.62Å; R72-D74 IonicContact NE-OD1 2.95Å; R72-D74 PolarHBondContact NE-OD1 3.13Å; R72-D74 IonicContact NH2-OD1 3.43Å; R72-D74 PolarHBondContact NH2-OD1 2.99Å
75	V	95.6	Very high	94.3	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.8	-173.8	-62.5	0	0	0	0	112.1	A49 K50 V51 F73 I88 D89 I91	A49-V75 HydrophobicContact CB-CB 4.24Å; K50-V75 CarbonylContact O-C 3.56Å; K50-V75 VanDerWaalsContact O-CA 3.27Å; K50-V75 WeakPolarHBondContact O-CA 3.49Å; V51-V75 HydrophobicContact CG2-CG1 4.27Å; F73-V75 HydrophobicContact CB-CG1 4.3Å; V75-I88 HydrophobicContact CG2-CG2 4.39Å; V75-D89 PolarHBondContact N-O 3.1Å; V75-I91 HydrophobicContact CB-CD1 4.41Å; V75-I91 HydrophobicContact CG1-CD1 3.68Å; V75-I91 HydrophobicContact CG1-CG1 3.93Å; V75-I91 HydrophobicContact CG2-CD1 4.04Å; V75-I91 HydrophobicContact CG2-CG1 3.87Å
76	K	95.4	Very high	94.6	Very high	143 Å²	143	64.8 Å²	64.8	62%	0.622	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	99.3	167.2	-174.7	173.6	-177.7	172.3	0	108.7	A49 K50 V52 I78	A49-K76 WeakPolarHBondContact CA-O 3.36Å; K50-K76 PolarHBondContact N-O 2.83Å; K50-K76 PolarHBondContact O-N 2.63Å; V52-K76 HydrophobicContact CG1-CB 4.01Å; K76-I78 PolarHBondContact O-N 3.18Å
77	Q	96.5	Very high	94.8	Very high	34 Å²	34	66.3 Å²	66.3	16%	0.159	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.2	174.1	-168.6	-175.1	-77.7	0	0	110.3	I47 D87	I47-Q77 HydrophobicContact CB-CG 4.38Å; I47-Q77 HydrophobicContact CG2-CG 4.3Å; Q77-D87 PolarHBondContact NE2-OD1 3.16Å
78	I	96.7	Very high	95.2	Very high	75 Å²	75	63.9 Å²	63.9	39%	0.385	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-42.4	175.3	-63	166.7	0	0	0	109.7	R48 K50 K76 E111	R48-I78 HydrophobicContact CG-CB 4.26Å; R48-I78 HydrophobicContact CG-CD1 4.28Å; R48-I78 WeakPolarHBondContact O-CA 3.43Å; R48-I78 WeakPolarHBondContact O-CB 3.37Å; R48-I78 PolarHBondContact O-N 3.19Å; K50-I78 HydrophobicContact CD-CD1 4.37Å; K50-I78 HydrophobicContact CG-CD1 4Å; K76-I78 PolarHBondContact O-N 3.18Å; I78-E111 HydrophobicContact CD1-CB 4.46Å; I78-E111 HydrophobicContact CD1-CG 3.71Å
79	K	97.1	Very high	95.5	Very high	96 Å²	96	65.9 Å²	65.9	42%	0.417	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	137.2	-179.7	-176.9	167.1	-178.6	171.5	0	110.7	I47 R48 F81	I47-K79 CarbonylContact C-O 3.54Å; I47-K79 WeakPolarHBondContact CA-O 3.08Å; R48-K79 HydrophobicContact CB-CB 4.37Å; R48-K79 PolarHBondContact N-O 3.26Å; R48-K79 PolarHBondContact O-N 3.18Å; R48-K79 VanDerWaalsContact O-N 3.15Å; K79-F81 HydrophobicContact CD-CD1 4.33Å; K79-F81 HydrophobicContact CD-CE1 3.71Å; K79-F81 HydrophobicContact CD-CZ 3.98Å; K79-F81 HydrophobicContact CG-CD1 4.5Å; K79-F81 HydrophobicContact CG-CE1 4.18Å; K79-F81 HydrophobicContact CG-CZ 4.24Å
80	M	97.4	Very high	95.6	Very high	45 Å²	45	61.4 Å²	61.4	22%	0.222	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.2	165.7	-172.1	177.3	-65.3	0	0	110.2	I47 K82 P84 Q86 I88	I47-M80 HydrophobicContact CG2-CB 4.2Å; I47-M80 HydrophobicContact CG2-CE 4.36Å; I47-M80 HydrophobicContact CG2-CG 4.03Å; M80-K82 WeakPolarHBondContact CG-O 3.45Å; M80-P84 WeakPolarHBondContact CE-O 3.39Å; M80-Q86 WeakPolarHBondContact CE-O 3.41Å; M80-I88 HydrophobicContact CE-CG1 4.28Å
81	F	97.3	Very high	95.7	Very high	33 Å²	33	58.6 Å²	58.6	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-33.2	174.3	-58.5	-79.5	0	0	0	111.9	F40 V46 R48 K79 L113 W135 L146 T147	F40-F81 HydrophobicContact CE2-CB 4.03Å; V46-F81 HydrophobicContact CB-CB 4.27Å; V46-F81 HydrophobicContact CG1-CB 4.13Å; V46-F81 HydrophobicContact CG1-CD2 4.11Å; V46-F81 PolarHBondContact O-N 3.06Å; R48-F81 HydrophobicContact CB-CE2 3.85Å; R48-F81 HydrophobicContact CB-CZ 4.35Å; K79-F81 HydrophobicContact CD-CD1 4.33Å; K79-F81 HydrophobicContact CD-CE1 3.71Å; K79-F81 HydrophobicContact CD-CZ 3.98Å; K79-F81 HydrophobicContact CG-CD1 4.5Å; K79-F81 HydrophobicContact CG-CE1 4.18Å; K79-F81 HydrophobicContact CG-CZ 4.24Å; F81-L113 HydrophobicContact CD2-CD1 4.08Å; F81-L113 HydrophobicContact CE2-CD1 3.91Å; F81-W135 HydrophobicContact CE2-CZ3 4.08Å; F81-W135 AromaticContact CZ-CH2 3.75Å; F81-W135 HydrophobicContact CZ-CH2 3.75Å; F81-W135 AromaticContact CZ-CZ3 3.76Å; F81-W135 HydrophobicContact CZ-CZ3 3.76Å; F81-L146 HydrophobicContact CD1-CB 3.79Å; F81-L146 HydrophobicContact CD2-CD1 4.5Å; F81-L146 HydrophobicContact CE1-CB 3.95Å; F81-L146 HydrophobicContact CE1-CD1 4.33Å; F81-L146 HydrophobicContact CE2-CD1 4.09Å; F81-L146 HydrophobicContact CG-CB 4.17Å; F81-L146 HydrophobicContact CZ-CB 4.45Å; F81-L146 HydrophobicContact CZ-CD1 4.01Å; F81-T147 HydrophobicContact CD1-CG2 3.68Å; F81-T147 HydrophobicContact CE1-CG2 3.61Å
82	K	97.3	Very high	95.7	Very high	46 Å²	46	59.8 Å²	59.8	20%	0.2	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	140.2	176.3	-175.5	-178.9	-177.2	-171.4	0	108.4	F40 C41 S43 V45 V46 M80	F40-K82 HydrophobicContact CE1-CD 4.14Å; F40-K82 HydrophobicContact CE2-CB 4.23Å; F40-K82 HydrophobicContact CZ-CB 4Å; F40-K82 HydrophobicContact CZ-CD 4.29Å; F40-K82 PolarHBondContact O-NZ 3.42Å; F40-K82 VanDerWaalsContact O-NZ 3.1Å; C41-K82 PolarHBondContact O-NZ 3.06Å; S43-K82 VanDerWaalsContact O-CE 3.25Å; S43-K82 WeakPolarHBondContact O-CE 3.35Å; S43-K82 PolarHBondContact O-NZ 3.45Å; V45-K82 CarbonylContact C-O 3.57Å; V45-K82 WeakPolarHBondContact CA-O 3.45Å; V46-K82 HydrophobicContact CB-CB 4.01Å; V46-K82 HydrophobicContact CG2-CB 3.99Å; V46-K82 HydrophobicContact CG2-CD 4.38Å; V46-K82 PolarHBondContact N-O 2.84Å; V46-K82 PolarHBondContact O-N 3.44Å; M80-K82 WeakPolarHBondContact CG-O 3.45Å
83	G	95.9	Very high	95.8	Very high	38 Å²	38	56.4 Å²	56.4	39%	0.392	29%	0.294	S	S	.	.	S	Bend	trans	145.1	-169.6	179.2	0	0	0	0	0	114.3	D44	D44-G83 WeakPolarHBondContact O-CA 3.11Å
84	P	94.9	Very high	95.7	Very high	42 Å²	42	57.3 Å²	57.3	27%	0.273	30%	0.302	S	S	.	.			trans	-70.7	168.6	179.9	30.9	-35.6	0	0	0	112.3	M80 Q86 I88 L118	M80-P84 WeakPolarHBondContact CE-O 3.39Å; P84-Q86 PolarHBondContact O-N 2.9Å; P84-I88 HydrophobicContact CG-CD1 4.24Å; P84-L118 HydrophobicContact CG-CD1 4.38Å; P84-L118 HydrophobicContact CG-CD2 4.24Å
85	T	92.7	Very high	95.6	Very high	150 Å²	150	58.6 Å²	58.6	92%	0.92	31%	0.312	S	S	*	.	S	Bend	trans	-69.8	-21.3	177.6	-42.2	0	0	0	0	113.2
86	Q	92.9	Very high	95.4	Very high	159 Å²	159	61.7 Å²	61.7	74%	0.743	33%	0.331	S	S	*	.	S	Bend	trans	-86.7	141.5	-179.9	-61.6	176.3	20.6	0	0	110.1	M80 P84	M80-Q86 WeakPolarHBondContact CE-O 3.41Å; P84-Q86 PolarHBondContact O-N 2.9Å
87	D	93.9	Very high	95.3	Very high	121 Å²	121	58 Å²	58	65%	0.647	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-68.3	144.1	176.6	-73.1	-18.7	0	0	0	111.2	Q77	Q77-D87 PolarHBondContact NE2-OD1 3.16Å
88	I	95.8	Very high	95	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.046	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-86.2	119.3	173.8	-55.2	-59.3	0	0	0	109	V45 I47 V75 M80 P84 A90 I91 L118 M124	V45-I88 HydrophobicContact CG1-CG1 4.02Å; I47-I88 HydrophobicContact CD1-CB 4.13Å; I47-I88 HydrophobicContact CD1-CG2 4.23Å; V75-I88 HydrophobicContact CG2-CG2 4.39Å; M80-I88 HydrophobicContact CE-CG1 4.28Å; P84-I88 HydrophobicContact CG-CD1 4.24Å; I88-A90 WeakPolarHBondContact CG2-O 3.37Å; I88-I91 HydrophobicContact CG2-CG1 4.15Å; I88-L118 HydrophobicContact CD1-CD1 4.39Å; I88-M124 HydrophobicContact CG2-CB 3.88Å; I88-M124 HydrophobicContact CG2-SD 4.24Å
89	D	94.4	Very high	94.8	Very high	112 Å²	112	59.3 Å²	59.3	60%	0.599	34%	0.342	S	S	*	.			trans	-104.6	-23.5	179.1	64	-20.1	0	0	0	113	V75	V75-D89 PolarHBondContact N-O 3.1Å
90	A	95.1	Very high	94.7	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.025	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.4	179.2	0	0	0	0	0	112.6	R72 F73 I88 Y92	R72-A90 HydrophobicContact CG-CB 4.28Å; F73-A90 WeakPolarHBondContact O-CA 3.48Å; I88-A90 WeakPolarHBondContact CG2-O 3.37Å; A90-Y92 HydrophobicContact CB-CE2 3.9Å
91	I	96.8	Very high	94.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.3	175.2	-53.7	-179.4	0	0	0	109.2	I47 R72 F73 V75 I88 I114 M124 I126	I47-I91 HydrophobicContact CD1-CD1 4.1Å; R72-I91 CarbonylContact C-O 3.54Å; R72-I91 WeakPolarHBondContact CA-O 3.35Å; F73-I91 HydrophobicContact CB-CB 4.46Å; F73-I91 PolarHBondContact N-O 3Å; F73-I91 PolarHBondContact O-N 3.5Å; V75-I91 HydrophobicContact CB-CD1 4.41Å; V75-I91 HydrophobicContact CG1-CD1 3.68Å; V75-I91 HydrophobicContact CG1-CG1 3.93Å; V75-I91 HydrophobicContact CG2-CD1 4.04Å; V75-I91 HydrophobicContact CG2-CG1 3.87Å; I88-I91 HydrophobicContact CG2-CG1 4.15Å; I91-I114 HydrophobicContact CD1-CD1 3.64Å; I91-I114 HydrophobicContact CD1-CG2 4.13Å; I91-M124 CarbonylContact C-O 3.56Å; I91-M124 WeakPolarHBondContact CA-O 3.45Å; I91-M124 HydrophobicContact CD1-SD 4.09Å; I91-M124 HydrophobicContact CG1-CB 4.42Å; I91-M124 HydrophobicContact CG1-SD 4.15Å; I91-M124 HydrophobicContact CG2-CG 4.43Å; I91-I126 HydrophobicContact CG2-CB 4.15Å; I91-I126 HydrophobicContact CG2-CD1 3.61Å; I91-I126 HydrophobicContact CG2-CG1 3.57Å; I91-I126 HydrophobicContact CG2-CG2 3.6Å
92	Y	96.9	Very high	94.6	Very high	33 Å²	33	53.3 Å²	53.3	13%	0.129	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.6	-177.7	-65	-97.9	0	0	0	111.2	V57 R70 I71 R72 A90 T123 M124 H125 I126	V57-Y92 HydrophobicContact CG2-CD1 4.36Å; V57-Y92 HydrophobicContact CG2-CE1 4.05Å; R70-Y92 HydrophobicContact CB-CD1 4.49Å; I71-Y92 CarbonylContact O-C 3.52Å; I71-Y92 VanDerWaalsContact O-CA 3.29Å; I71-Y92 WeakPolarHBondContact O-CA 3.25Å; R72-Y92 HydrophobicContact CB-CD1 4.17Å; R72-Y92 HydrophobicContact CB-CE1 3.89Å; R72-Y92 HydrophobicContact CG-CE1 4.02Å; R72-Y92 PolarHBondContact NH1-OH 3.03Å; A90-Y92 HydrophobicContact CB-CE2 3.9Å; Y92-T123 HydrophobicContact CD2-CG2 4.24Å; Y92-T123 HydrophobicContact CE2-CG2 3.58Å; Y92-M124 PolarHBondContact N-O 2.85Å; Y92-H125 WeakPolarHBondContact O-CA 3.45Å; Y92-H125 PolarHBondContact O-ND1 3.12Å; Y92-I126 PolarHBondContact O-N 3.08Å
93	T	97.3	Very high	94.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.3	173.7	178.1	0	0	0	0	110.2	I71 F73 G101 V102 I126	I71-T93 HydrophobicContact CB-CG2 3.83Å; I71-T93 HydrophobicContact CG2-CG2 4.27Å; I71-T93 PolarHBondContact N-O 2.83Å; I71-T93 PolarHBondContact O-N 2.8Å; F73-T93 HydrophobicContact CD2-CG2 4.15Å; F73-T93 HydrophobicContact CE2-CG2 3.58Å; T93-G101 WeakPolarHBondContact OG1-CA 2.83Å; T93-V102 PolarHBondContact OG1-N 3.1Å; T93-I126 WeakPolarHBondContact CB-O 3.31Å; T93-I126 PolarHBondContact OG1-O 2.91Å
94	A	95.3	Very high	94.3	Very high	20 Å²	20	56.1 Å²	56.1	17%	0.165	33%	0.333	C	S	.	.			trans	-65.1	154.7	169.4	0	0	0	0	0	111.6	V99 G101	A94-V99 HydrophobicContact CB-CB 4.34Å; A94-V99 HydrophobicContact CB-CG2 3.6Å; A94-V99 WeakPolarHBondContact CB-O 3.27Å; A94-G101 WeakPolarHBondContact O-CA 3.43Å
95	P	92.5	Very high	94.1	Very high	60 Å²	60	56.5 Å²	56.5	39%	0.39	33%	0.333	S	S	.	.	S	Bend	trans	-78.6	-19.8	-171.3	29.9	-35.2	0	0	0	115.2	K69 I71	K69-P95 WeakPolarHBondContact O-CD 3.39Å; I71-P95 HydrophobicContact CD1-CB 4.19Å; I71-P95 HydrophobicContact CG1-CB 4.06Å
96	T	92.1	Very high	93.7	Very high	76 Å²	76	52 Å²	52	47%	0.466	31%	0.305	S	S	.	.	S	Bend	trans	-131.9	148.4	-178.6	65.6	0	0	0	0	111	A98 V99 G101	T96-A98 PolarHBondContact O-N 3.17Å; T96-V99 WeakPolarHBondContact O-CG2 3.4Å; T96-V99 PolarHBondContact O-N 3.49Å; T96-V99 VanDerWaalsContact O-N 3.14Å; T96-V99 WeakPolarHBondContact OG1-CG2 3.05Å; T96-G101 VanDerWaalsContact O-CA 3.31Å; T96-G101 WeakPolarHBondContact O-CA 3.02Å; T96-G101 PolarHBondContact O-N 3.21Å
97	S	92.7	Very high	93	Very high	67 Å²	67	51 Å²	51	47%	0.469	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.8	177.6	54	0	0	0	0	112.9	C29 V99 C100	C29-S97 VanDerWaalsContact CB-O 3.27Å; C29-S97 WeakPolarHBondContact CB-O 3.4Å; S97-V99 PolarHBondContact O-N 2.64Å; S97-C100 WeakPolarHBondContact O-CA 3.2Å; S97-C100 PolarHBondContact O-N 3.41Å
98	A	90.6	Very high	91.9	Very high	47 Å²	47	46.5 Å²	46.5	39%	0.388	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31.2	176.6	0	0	0	0	0	113.3	A28 T96	A28-A98 HydrophobicContact CB-CB 4.08Å; A28-A98 WeakPolarHBondContact CB-O 3.44Å; T96-A98 PolarHBondContact O-N 3.17Å
99	V	91.8	Very high	91.2	Very high	89 Å²	89	55.2 Å²	55.2	54%	0.539	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-107.2	33.1	173.6	-68.2	0	0	0	0	111.5	A94 T96 S97 G101	A94-V99 HydrophobicContact CB-CB 4.34Å; A94-V99 HydrophobicContact CB-CG2 3.6Å; A94-V99 WeakPolarHBondContact CB-O 3.27Å; T96-V99 WeakPolarHBondContact O-CG2 3.4Å; T96-V99 PolarHBondContact O-N 3.49Å; T96-V99 VanDerWaalsContact O-N 3.14Å; T96-V99 WeakPolarHBondContact OG1-CG2 3.05Å; S97-V99 PolarHBondContact O-N 2.64Å; V99-G101 VanDerWaalsContact C-N 3.3Å; V99-G101 PolarHBondContact O-N 2.96Å
100	C	94.8	Very high	91.2	Very high	31 Å²	31	53.9 Å²	53.9	21%	0.209	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	27.2	177.9	-54.5	0	0	0	0	115.1	C29 S97 T127 L128	C29-C100 HydrophobicContact CB-CB 4.01Å; C29-C100 WeakPolarHBondContact CB-SG 3.44Å; C29-C100 WeakPolarHBondContact SG-CA 3.27Å; C29-C100 WeakPolarHBondContact SG-CB 3.44Å; C29-C100 CovalentContact SG-SG 2.04Å; C29-C100 PolarHBondContact SG-SG 2.84Å; S97-C100 WeakPolarHBondContact O-CA 3.2Å; S97-C100 PolarHBondContact O-N 3.41Å; C100-T127 CarbonylContact O-C 3.5Å; C100-T127 VanDerWaalsContact O-CA 3.27Å; C100-T127 WeakPolarHBondContact O-CA 3.36Å; C100-L128 HydrophobicContact CB-CB 4.41Å; C100-L128 PolarHBondContact O-N 3.22Å
101	G	96.1	Very high	91.2	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.031	33%	0.325	C	S	.	.			trans	-71.3	136.2	174.8	0	0	0	0	0	113.6	T93 A94 T96 V99 L128	T93-G101 WeakPolarHBondContact OG1-CA 2.83Å; A94-G101 WeakPolarHBondContact O-CA 3.43Å; T96-G101 VanDerWaalsContact O-CA 3.31Å; T96-G101 WeakPolarHBondContact O-CA 3.02Å; T96-G101 PolarHBondContact O-N 3.21Å; V99-G101 VanDerWaalsContact C-N 3.3Å; V99-G101 PolarHBondContact O-N 2.96Å; G101-L128 WeakPolarHBondContact O-CD2 3.48Å; G101-L128 VanDerWaalsContact O-CG 3.31Å; G101-L128 WeakPolarHBondContact O-CG 3.11Å
102	V	96.3	Very high	91.3	Very high	13 Å²	13	56.4 Å²	56.4	8%	0.079	33%	0.329	C	S	.	.			trans	-98.2	137.7	-179.8	-171.8	0	0	0	0	111.1	T93 L104 I126 T127 L128 I132	T93-V102 PolarHBondContact OG1-N 3.1Å; V102-L104 HydrophobicContact CG1-CD2 3.88Å; V102-L104 HydrophobicContact CG1-CG 4.1Å; V102-I126 HydrophobicContact CB-CD1 4.2Å; V102-I126 HydrophobicContact CG1-CD1 4.41Å; V102-I126 HydrophobicContact CG2-CD1 4.25Å; V102-I126 HydrophobicContact CG2-CG1 4.22Å; V102-T127 WeakPolarHBondContact CG2-O 3.49Å; V102-L128 HydrophobicContact CG2-CD2 4.23Å; V102-L128 HydrophobicContact CG2-CG 4.44Å; V102-I132 HydrophobicContact CB-CD1 4.5Å; V102-I132 HydrophobicContact CG1-CD1 3.95Å; V102-I132 HydrophobicContact CG2-CD1 3.89Å
103	T	93.8	Very high	91.4	Very high	132 Å²	132	54.9 Å²	54.9	81%	0.81	32%	0.323	S	S	*	.			trans	-106.9	123.9	170.4	-54.9	0	0	0	0	109.8
104	L	93.2	Very high	91.4	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	32%	0.323	C	S	.	.			trans	-115.8	149.7	177.1	-59.5	175.8	0	0	0	111	V51 F73 V102 T106 Y112 I114 I126 I132	V51-L104 HydrophobicContact CG2-CB 3.84Å; V51-L104 HydrophobicContact CG2-CD1 3.67Å; V51-L104 HydrophobicContact CG2-CG 4.37Å; F73-L104 HydrophobicContact CD2-CD1 4.08Å; F73-L104 HydrophobicContact CE1-CB 4.18Å; F73-L104 HydrophobicContact CE2-CB 4.49Å; F73-L104 HydrophobicContact CE2-CD1 4.2Å; F73-L104 HydrophobicContact CE2-CG 4.25Å; F73-L104 HydrophobicContact CG-CD1 4.39Å; F73-L104 HydrophobicContact CZ-CB 4.15Å; F73-L104 HydrophobicContact CZ-CG 4.37Å; V102-L104 HydrophobicContact CG1-CD2 3.88Å; V102-L104 HydrophobicContact CG1-CG 4.1Å; L104-T106 PolarHBondContact O-N 2.94Å; L104-Y112 HydrophobicContact CD2-CD1 4.4Å; L104-Y112 HydrophobicContact CD2-CE1 4.34Å; L104-I114 HydrophobicContact CD1-CD1 4.45Å; L104-I126 HydrophobicContact CD1-CD1 4.18Å; L104-I132 HydrophobicContact CD2-CG2 4Å
105	D	90.8	Very high	91.5	Very high	51 Å²	51	54 Å²	54	27%	0.273	32%	0.315	S	S	.	.			trans	-76.4	116.3	178.3	-173	-16	0	0	0	110	V107 G108 K110 Y112	D105-V107 PolarHBondContact OD1-N 3.49Å; D105-G108 PolarHBondContact OD1-N 3.3Å; D105-K110 HydrophobicContact CB-CD 4.32Å; D105-K110 IonicContact OD2-NZ 3.42Å; D105-K110 PolarHBondContact OD2-NZ 3.13Å; D105-Y112 VanDerWaalsContact CB-OH 3.31Å; D105-Y112 WeakPolarHBondContact CB-OH 3.46Å
106	T	85.8	Confident	91.8	Very high	55 Å²	55	51.1 Å²	51.1	34%	0.337	30%	0.297	S	S	.	.	S	Bend	trans	-92.3	-15.9	-179	55.9	0	0	0	0	113.6	V51 M54 F73 L104	V51-T106 HydrophobicContact CG1-CG2 3.88Å; M54-T106 HydrophobicContact CB-CG2 3.66Å; F73-T106 HydrophobicContact CE1-CG2 4.38Å; L104-T106 PolarHBondContact O-N 2.94Å
107	V	78	Confident	92	Very high	137 Å²	137	51.9 Å²	51.9	83%	0.83	29%	0.293	S	S	*	.	S	Bend	trans	-99.5	-16.9	-172.3	-174.6	0	0	0	0	111	D105	D105-V107 PolarHBondContact OD1-N 3.49Å
108	G	70.8	Confident	92.2	Very high	27 Å²	27	51.6 Å²	51.6	28%	0.278	29%	0.287	S	S	.	.	S	Bend	trans	-81.9	158.7	-178.1	0	0	0	0	0	115.3	D105 K110	D105-G108 PolarHBondContact OD1-N 3.3Å; G108-K110 PolarHBondContact O-N 3.4Å
109	K	81.1	Confident	92.3	Very high	193 Å²	193	51.8 Å²	51.8	84%	0.839	28%	0.279	S	S	*	.			trans	-79.2	11.7	162.2	-65.1	-178.4	-179.3	176.8	0	112.5
110	K	93.4	Very high	92.2	Very high	84 Å²	84	55.1 Å²	55.1	37%	0.365	30%	0.3	S	S	.	.			trans	-66.2	137.6	-173.3	-70.1	176	-178	154.6	0	109.6	D105 G108 Y112	D105-K110 HydrophobicContact CB-CD 4.32Å; D105-K110 IonicContact OD2-NZ 3.42Å; D105-K110 PolarHBondContact OD2-NZ 3.13Å; G108-K110 PolarHBondContact O-N 3.4Å; K110-Y112 HydrophobicContact CB-CE2 3.75Å
111	E	96.3	Very high	91.8	Very high	36 Å²	36	58.6 Å²	58.6	17%	0.168	32%	0.317	C	S	.	.			trans	-105.3	140.7	174.3	-66.9	179.1	-169.1	0	0	107.7	R48 K50 I78 Q134 W135	R48-E111 IonicContact CZ-OE2 2.68Å; R48-E111 IonicContact NE-OE2 2.78Å; R48-E111 PolarHBondContact NE-OE2 2.04Å; R48-E111 IonicContact NH2-OE2 3.1Å; R48-E111 PolarHBondContact NH2-OE2 3.15Å; K50-E111 HydrophobicContact CD-CG 4.1Å; K50-E111 WeakPolarHBondContact CE-OE1 3.42Å; K50-E111 HydrophobicContact CG-CG 3.69Å; K50-E111 IonicContact NZ-OE1 3.71Å; K50-E111 PolarHBondContact NZ-OE1 3.49Å; I78-E111 HydrophobicContact CD1-CB 4.46Å; I78-E111 HydrophobicContact CD1-CG 3.71Å; E111-Q134 CarbonylContact O-C 3.54Å; E111-Q134 WeakPolarHBondContact O-CA 3.43Å; E111-W135 HydrophobicContact CB-CB 3.75Å; E111-W135 HydrophobicContact CB-CG 4.49Å; E111-W135 WeakPolarHBondContact O-CB 3.46Å; E111-W135 PolarHBondContact O-N 3.13Å
112	Y	97.8	Very high	91.3	Very high	19 Å²	19	60.5 Å²	60.5	8%	0.075	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.9	-179.9	-65.9	-89.4	0	0	0	109.1	R48 A49 L104 D105 K110 I132 E133 Q134	R48-Y112 CarbonylContact C-O 3.54Å; R48-Y112 VanDerWaalsContact CA-O 3.27Å; R48-Y112 WeakPolarHBondContact CA-O 3.31Å; A49-Y112 PolarHBondContact N-O 2.88Å; A49-Y112 PolarHBondContact O-N 3.04Å; L104-Y112 HydrophobicContact CD2-CD1 4.4Å; L104-Y112 HydrophobicContact CD2-CE1 4.34Å; D105-Y112 VanDerWaalsContact CB-OH 3.31Å; D105-Y112 WeakPolarHBondContact CB-OH 3.46Å; K110-Y112 HydrophobicContact CB-CE2 3.75Å; Y112-I132 HydrophobicContact CD1-CG2 4.49Å; Y112-E133 CarbonylContact C-O 3.57Å; Y112-E133 VanDerWaalsContact CA-O 3.31Å; Y112-E133 WeakPolarHBondContact CA-O 3.22Å; Y112-Q134 HydrophobicContact CD1-CG 4.05Å; Y112-Q134 HydrophobicContact CE1-CG 3.58Å
113	L	98.2	Very high	91.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.9	153	175.8	71.1	0	0	0	106.7	V46 I47 F81 F131 I132 E133 W135 L138 L146	V46-L113 HydrophobicContact CG1-CD1 3.82Å; I47-L113 WeakPolarHBondContact O-CA 3.27Å; F81-L113 HydrophobicContact CD2-CD1 4.08Å; F81-L113 HydrophobicContact CE2-CD1 3.91Å; L113-F131 HydrophobicContact CD2-CD1 3.79Å; L113-F131 HydrophobicContact CD2-CE1 3.54Å; L113-I132 WeakPolarHBondContact O-CA 3.36Å; L113-E133 PolarHBondContact N-O 3.19Å; L113-E133 PolarHBondContact O-N 2.98Å; L113-W135 HydrophobicContact CB-CE3 4.4Å; L113-L138 HydrophobicContact CB-CD1 3.75Å; L113-L138 HydrophobicContact CD2-CD1 3.66Å; L113-L138 HydrophobicContact CD2-CD2 4.32Å; L113-L138 HydrophobicContact CG-CD1 4.3Å; L113-L146 HydrophobicContact CD1-CD1 3.75Å; L113-L146 HydrophobicContact CD1-CD2 3.95Å; L113-L146 HydrophobicContact CD2-CD1 3.98Å; L113-L146 HydrophobicContact CD2-CD2 3.98Å; L113-L146 HydrophobicContact CG-CD1 4.49Å
114	I	98.3	Very high	91.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.3	-177.9	-49.7	178.2	0	0	0	107.5	V46 I47 A49 I91 L104 M124 I126 I132	V46-I114 WeakPolarHBondContact CA-O 3.46Å; I47-I114 HydrophobicContact CG1-CB 4.17Å; I47-I114 PolarHBondContact N-O 2.87Å; I47-I114 PolarHBondContact O-N 3.1Å; A49-I114 HydrophobicContact CB-CD1 4.42Å; I91-I114 HydrophobicContact CD1-CD1 3.64Å; I91-I114 HydrophobicContact CD1-CG2 4.13Å; L104-I114 HydrophobicContact CD1-CD1 4.45Å; I114-M124 HydrophobicContact CB-CE 4.46Å; I114-M124 HydrophobicContact CG2-CE 3.8Å; I114-I126 HydrophobicContact CG2-CD1 4.41Å; I114-I126 HydrophobicContact CG2-CG2 3.76Å; I114-I132 HydrophobicContact CG1-CG2 4.42Å; I114-I132 HydrophobicContact CG2-CG1 4.26Å
115	T	98.3	Very high	91.4	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.6	169.2	62.8	0	0	0	0	108.8	S43 V45 V46 M124 I126 D130 F131	S43-T115 WeakPolarHBondContact OG-CB 3.44Å; V45-T115 WeakPolarHBondContact O-CA 3.48Å; V46-T115 HydrophobicContact CB-CG2 4.44Å; V46-T115 HydrophobicContact CG1-CG2 3.93Å; V46-T115 HydrophobicContact CG2-CG2 3.96Å; T115-M124 VanDerWaalsContact C-CE 3.46Å; T115-I126 WeakPolarHBondContact O-CG2 3.36Å; T115-D130 WeakPolarHBondContact O-CB 3.47Å; T115-F131 HydrophobicContact CG2-CB 4.09Å; T115-F131 HydrophobicContact CG2-CD1 4.41Å; T115-F131 WeakPolarHBondContact CG2-O 3.35Å; T115-F131 PolarHBondContact N-O 3.29Å; T115-F131 WeakPolarHBondContact OG1-CA 2.82Å; T115-F131 WeakPolarHBondContact OG1-CB 3.49Å; T115-F131 PolarHBondContact OG1-N 3.05Å; T115-F131 PolarHBondContact OG1-O 2.94Å
116	G	97.6	Very high	91.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	-173.4	-179.2	0	0	0	0	0	114.1	S43 D44 V45 M124	S43-G116 WeakPolarHBondContact CB-O 2.82Å; D44-G116 PolarHBondContact N-O 2.87Å; V45-G116 PolarHBondContact N-O 3.35Å; V45-G116 VanDerWaalsContact N-O 3.15Å; V45-G116 PolarHBondContact O-N 2.99Å; G116-M124 VanDerWaalsContact N-CE 3.33Å
117	K	97.6	Very high	92.3	Very high	91 Å²	91	52.9 Å²	52.9	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.4	-176.3	-69.1	-63.6	-175.8	175.2	0	111.5	N42 D44 M124 H125	N42-K117 WeakPolarHBondContact O-CE 3.49Å; N42-K117 PolarHBondContact O-NZ 3.37Å; D44-K117 IonicContact OD1-NZ 2.7Å; D44-K117 PolarHBondContact OD1-NZ 2.75Å; D44-K117 WeakPolarHBondContact OD2-CA 3.27Å; D44-K117 WeakPolarHBondContact OD2-CD 3.36Å; D44-K117 IonicContact OD2-NZ 2.89Å; K117-M124 CarbonylContact O-C 3.58Å; K117-M124 WeakPolarHBondContact O-CA 3.35Å; K117-H125 PolarHBondContact N-O 3.08Å; K117-H125 PolarHBondContact O-N 2.89Å
118	L	96.4	Very high	93.2	Very high	62 Å²	62	49.7 Å²	49.7	33%	0.325	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.8	176.2	-166.9	68.4	0	0	0	108.3	D44 V45 P84 I88 G122	D44-L118 HydrophobicContact CB-CB 4Å; D44-L118 PolarHBondContact OD2-N 3.4Å; V45-L118 HydrophobicContact CG2-CB 4.09Å; V45-L118 HydrophobicContact CG2-CD1 3.98Å; P84-L118 HydrophobicContact CG-CD1 4.38Å; P84-L118 HydrophobicContact CG-CD2 4.24Å; I88-L118 HydrophobicContact CD1-CD1 4.39Å; L118-G122 WeakPolarHBondContact CD1-O 3.34Å
119	E	92.9	Very high	94.4	Very high	51 Å²	51	51.1 Å²	51.1	24%	0.238	27%	0.272	C	S	.	.			trans	-74.9	163	172.3	-67.4	-162.9	179.3	0	0	110.4	R70 D121 G122 T123 H125	R70-E119 IonicContact CZ-OE1 3.21Å; R70-E119 IonicContact CZ-OE2 3.65Å; R70-E119 IonicContact NH1-OE1 2.59Å; R70-E119 PolarHBondContact NH1-OE1 2.96Å; R70-E119 VanDerWaalsContact NH1-OE1 3.1Å; R70-E119 IonicContact NH1-OE2 2.86Å; R70-E119 PolarHBondContact NH1-OE2 2.94Å; R70-E119 IonicContact NH2-OE1 3.21Å; R70-E119 PolarHBondContact NH2-OE1 2.94Å; R70-E119 IonicContact NH2-OE2 3.7Å; E119-D121 WeakPolarHBondContact CB-OD1 3.38Å; E119-D121 PolarHBondContact O-N 2.82Å; E119-G122 PolarHBondContact O-N 3.29Å; E119-T123 PolarHBondContact N-O 3.17Å; E119-H125 HydrophobicContact CG-CB 4.05Å; E119-H125 IonicContact OE1-CG 3.78Å; E119-H125 IonicContact OE1-ND1 3.83Å
120	T	88.6	Confident	95.2	Very high	159 Å²	159	43.6 Å²	43.6	98%	0.975	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.8	-176.4	50.2	0	0	0	0	113.8
121	D	86.8	Confident	95.3	Very high	104 Å²	104	41.3 Å²	41.3	56%	0.556	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	0.6	175.8	65.9	-4.1	0	0	0	113.1	E119 T123	E119-D121 WeakPolarHBondContact CB-OD1 3.38Å; E119-D121 PolarHBondContact O-N 2.82Å; D121-T123 VanDerWaalsContact C-N 3.33Å; D121-T123 WeakPolarHBondContact OD1-CB 3.31Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.27Å; D121-T123 PolarHBondContact OD1-N 3.37Å; D121-T123 PolarHBondContact OD1-OG1 2.88Å; D121-T123 PolarHBondContact OD2-OG1 2.71Å
122	G	86.6	Confident	95.4	Very high	43 Å²	43	41.1 Å²	41.1	44%	0.443	23%	0.231	S	C	.	.	S	Bend	trans	85.5	1.3	-178.7	0	0	0	0	0	114.1	L118 E119	L118-G122 WeakPolarHBondContact CD1-O 3.34Å; E119-G122 PolarHBondContact O-N 3.29Å
123	T	91.1	Very high	95.3	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.16	24%	0.243	C	C	.	.			trans	-82.4	152.3	176.1	68.4	0	0	0	0	111.7	Y92 E119 D121	Y92-T123 HydrophobicContact CD2-CG2 4.24Å; Y92-T123 HydrophobicContact CE2-CG2 3.58Å; E119-T123 PolarHBondContact N-O 3.17Å; D121-T123 VanDerWaalsContact C-N 3.33Å; D121-T123 WeakPolarHBondContact OD1-CB 3.31Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.27Å; D121-T123 PolarHBondContact OD1-N 3.37Å; D121-T123 PolarHBondContact OD1-OG1 2.88Å; D121-T123 PolarHBondContact OD2-OG1 2.71Å
124	M	96.8	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.2	177.4	-176	-179.4	-179.6	0	0	110.4	V45 I47 I88 I91 Y92 I114 T115 G116 K117 I126	V45-M124 HydrophobicContact CB-CE 4.06Å; V45-M124 HydrophobicContact CB-CG 4.39Å; V45-M124 HydrophobicContact CB-SD 4.09Å; V45-M124 HydrophobicContact CG1-CE 4.01Å; V45-M124 HydrophobicContact CG1-CG 4.49Å; V45-M124 HydrophobicContact CG1-SD 3.68Å; I47-M124 HydrophobicContact CD1-SD 3.92Å; I47-M124 HydrophobicContact CG1-SD 4.33Å; I88-M124 HydrophobicContact CG2-CB 3.88Å; I88-M124 HydrophobicContact CG2-SD 4.24Å; I91-M124 CarbonylContact C-O 3.56Å; I91-M124 WeakPolarHBondContact CA-O 3.45Å; I91-M124 HydrophobicContact CD1-SD 4.09Å; I91-M124 HydrophobicContact CG1-CB 4.42Å; I91-M124 HydrophobicContact CG1-SD 4.15Å; I91-M124 HydrophobicContact CG2-CG 4.43Å; Y92-M124 PolarHBondContact N-O 2.85Å; I114-M124 HydrophobicContact CB-CE 4.46Å; I114-M124 HydrophobicContact CG2-CE 3.8Å; T115-M124 VanDerWaalsContact C-CE 3.46Å; G116-M124 VanDerWaalsContact N-CE 3.33Å; K117-M124 CarbonylContact O-C 3.58Å; K117-M124 WeakPolarHBondContact O-CA 3.35Å; M124-I126 HydrophobicContact CE-CG2 3.85Å; M124-I126 HydrophobicContact CG-CG2 4.38Å
125	H	97.1	Very high	95.2	Very high	40 Å²	40	48.1 Å²	48.1	19%	0.185	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.3	172.2	-170.8	80.5	0	0	0	111.2	Y92 K117 E119	Y92-H125 WeakPolarHBondContact O-CA 3.45Å; Y92-H125 PolarHBondContact O-ND1 3.12Å; K117-H125 PolarHBondContact N-O 3.08Å; K117-H125 PolarHBondContact O-N 2.89Å; E119-H125 HydrophobicContact CG-CB 4.05Å; E119-H125 IonicContact OE1-CG 3.78Å; E119-H125 IonicContact OE1-ND1 3.83Å
126	I	97.9	Very high	95	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.			trans	-130.7	155.6	177	66.3	173	0	0	0	111.3	I91 Y92 T93 V102 L104 I114 T115 M124 D130 I132	I91-I126 HydrophobicContact CG2-CB 4.15Å; I91-I126 HydrophobicContact CG2-CD1 3.61Å; I91-I126 HydrophobicContact CG2-CG1 3.57Å; I91-I126 HydrophobicContact CG2-CG2 3.6Å; Y92-I126 PolarHBondContact O-N 3.08Å; T93-I126 WeakPolarHBondContact CB-O 3.31Å; T93-I126 PolarHBondContact OG1-O 2.91Å; V102-I126 HydrophobicContact CB-CD1 4.2Å; V102-I126 HydrophobicContact CG1-CD1 4.41Å; V102-I126 HydrophobicContact CG2-CD1 4.25Å; V102-I126 HydrophobicContact CG2-CG1 4.22Å; L104-I126 HydrophobicContact CD1-CD1 4.18Å; I114-I126 HydrophobicContact CG2-CD1 4.41Å; I114-I126 HydrophobicContact CG2-CG2 3.76Å; T115-I126 WeakPolarHBondContact O-CG2 3.36Å; M124-I126 HydrophobicContact CE-CG2 3.85Å; M124-I126 HydrophobicContact CG-CG2 4.38Å; I126-D130 WeakPolarHBondContact CA-OD2 3.49Å; I126-I132 HydrophobicContact CB-CD1 4.14Å; I126-I132 HydrophobicContact CD1-CD1 3.89Å; I126-I132 HydrophobicContact CG1-CD1 4.42Å
127	T	97.3	Very high	94.9	Very high	35 Å²	35	58.8 Å²	58.8	22%	0.215	32%	0.319	C	S	.	.			trans	-139.2	167.7	-179.2	69.1	0	0	0	0	110.6	C100 V102 C129 D130	C100-T127 CarbonylContact O-C 3.5Å; C100-T127 VanDerWaalsContact O-CA 3.27Å; C100-T127 WeakPolarHBondContact O-CA 3.36Å; V102-T127 WeakPolarHBondContact CG2-O 3.49Å; T127-C129 PolarHBondContact O-N 2.87Å; T127-C129 VanDerWaalsContact O-N 3.08Å; T127-C129 PolarHBondContact OG1-N 3.14Å; T127-D130 PolarHBondContact N-OD2 2.7Å; T127-D130 PolarHBondContact O-N 2.91Å; T127-D130 VanDerWaalsContact O-N 3.12Å; T127-D130 PolarHBondContact OG1-OD2 3.11Å
128	L	96.3	Very high	94.8	Very high	70 Å²	70	54.9 Å²	54.9	37%	0.366	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.7	173.1	-73.3	177.6	0	0	0	114.1	C29 C100 G101 V102	C29-L128 HydrophobicContact CB-CD1 4.3Å; C100-L128 HydrophobicContact CB-CB 4.41Å; C100-L128 PolarHBondContact O-N 3.22Å; G101-L128 WeakPolarHBondContact O-CD2 3.48Å; G101-L128 VanDerWaalsContact O-CG 3.31Å; G101-L128 WeakPolarHBondContact O-CG 3.11Å; V102-L128 HydrophobicContact CG2-CD2 4.23Å; V102-L128 HydrophobicContact CG2-CG 4.44Å
129	C	95.8	Very high	94.7	Very high	58 Å²	58	52.8 Å²	52.8	39%	0.392	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.3	-179.8	-56.2	0	0	0	0	113.4	C31 T127	C31-C129 VanDerWaalsContact CA-SG 3.53Å; C31-C129 HydrophobicContact CB-CB 3.66Å; C31-C129 WeakPolarHBondContact CB-SG 3.45Å; C31-C129 WeakPolarHBondContact SG-CA 3.36Å; C31-C129 WeakPolarHBondContact SG-CB 3.44Å; C31-C129 PolarHBondContact SG-N 3.26Å; C31-C129 VanDerWaalsContact SG-N 3.41Å; C31-C129 CovalentContact SG-SG 2.04Å; C31-C129 PolarHBondContact SG-SG 2.9Å; T127-C129 PolarHBondContact O-N 2.87Å; T127-C129 VanDerWaalsContact O-N 3.08Å; T127-C129 PolarHBondContact OG1-N 3.14Å
130	D	97.5	Very high	94.7	Very high	35 Å²	35	54.5 Å²	54.5	19%	0.187	32%	0.316	C	S	.	.	S	Bend	trans	-75.9	153.6	175.4	-66.2	-65.3	0	0	0	110.8	T115 I126 T127 I132	T115-D130 WeakPolarHBondContact O-CB 3.47Å; I126-D130 WeakPolarHBondContact CA-OD2 3.49Å; T127-D130 PolarHBondContact N-OD2 2.7Å; T127-D130 PolarHBondContact O-N 2.91Å; T127-D130 VanDerWaalsContact O-N 3.12Å; T127-D130 PolarHBondContact OG1-OD2 3.11Å; D130-I132 HydrophobicContact CB-CD1 4.22Å; D130-I132 HydrophobicContact CB-CG1 4.15Å; D130-I132 PolarHBondContact O-N 2.66Å; D130-I132 VanDerWaalsContact O-N 3.08Å
131	F	96.9	Very high	94.9	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.154	28%	0.275	C	S	.	.			trans	-78.1	99.1	175.8	-173.5	-117.9	0	0	0	109.5	P36 A39 L113 T115 E133 L138	P36-F131 HydrophobicContact CB-CD1 4.38Å; P36-F131 HydrophobicContact CB-CE1 3.86Å; P36-F131 HydrophobicContact CB-CE2 4.42Å; P36-F131 HydrophobicContact CB-CZ 3.9Å; P36-F131 HydrophobicContact CG-CE1 4.29Å; P36-F131 HydrophobicContact CG-CE2 4.05Å; P36-F131 HydrophobicContact CG-CZ 3.8Å; A39-F131 HydrophobicContact CB-CB 3.41Å; A39-F131 VanDerWaalsContact CB-CB 3.41Å; A39-F131 HydrophobicContact CB-CG 4.19Å; L113-F131 HydrophobicContact CD2-CD1 3.79Å; L113-F131 HydrophobicContact CD2-CE1 3.54Å; T115-F131 HydrophobicContact CG2-CB 4.09Å; T115-F131 HydrophobicContact CG2-CD1 4.41Å; T115-F131 WeakPolarHBondContact CG2-O 3.35Å; T115-F131 PolarHBondContact N-O 3.29Å; T115-F131 WeakPolarHBondContact OG1-CA 2.82Å; T115-F131 WeakPolarHBondContact OG1-CB 3.49Å; T115-F131 PolarHBondContact OG1-N 3.05Å; T115-F131 PolarHBondContact OG1-O 2.94Å; F131-E133 HydrophobicContact CD2-CG 4.37Å; F131-E133 HydrophobicContact CE2-CG 3.78Å; F131-E133 HydrophobicContact CZ-CB 4.48Å; F131-E133 HydrophobicContact CZ-CG 3.97Å; F131-L138 HydrophobicContact CE1-CD2 4.1Å; F131-L138 HydrophobicContact CZ-CD2 3.9Å
132	I	97.1	Very high	95.3	Very high	33 Å²	33	43.5 Å²	43.5	17%	0.169	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.7	-178.8	-54.8	169.2	0	0	0	108.5	V102 L104 Y112 L113 I114 I126 D130	V102-I132 HydrophobicContact CB-CD1 4.5Å; V102-I132 HydrophobicContact CG1-CD1 3.95Å; V102-I132 HydrophobicContact CG2-CD1 3.89Å; L104-I132 HydrophobicContact CD2-CG2 4Å; Y112-I132 HydrophobicContact CD1-CG2 4.49Å; L113-I132 WeakPolarHBondContact O-CA 3.36Å; I114-I132 HydrophobicContact CG1-CG2 4.42Å; I114-I132 HydrophobicContact CG2-CG1 4.26Å; I126-I132 HydrophobicContact CB-CD1 4.14Å; I126-I132 HydrophobicContact CD1-CD1 3.89Å; I126-I132 HydrophobicContact CG1-CD1 4.42Å; D130-I132 HydrophobicContact CB-CD1 4.22Å; D130-I132 HydrophobicContact CB-CG1 4.15Å; D130-I132 PolarHBondContact O-N 2.66Å; D130-I132 VanDerWaalsContact O-N 3.08Å
133	E	96.3	Very high	95.7	Very high	70 Å²	70	43.9 Å²	43.9	33%	0.327	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.5	-173.6	-82	-67.3	172	0	0	111.2	Y112 L113 F131 W135 T137 L138	Y112-E133 CarbonylContact C-O 3.57Å; Y112-E133 VanDerWaalsContact CA-O 3.31Å; Y112-E133 WeakPolarHBondContact CA-O 3.22Å; L113-E133 PolarHBondContact N-O 3.19Å; L113-E133 PolarHBondContact O-N 2.98Å; F131-E133 HydrophobicContact CD2-CG 4.37Å; F131-E133 HydrophobicContact CE2-CG 3.78Å; F131-E133 HydrophobicContact CZ-CB 4.48Å; F131-E133 HydrophobicContact CZ-CG 3.97Å; E133-W135 PolarHBondContact O-N 3.14Å; E133-T137 PolarHBondContact OE2-OG1 3.45Å; E133-L138 HydrophobicContact CB-CD2 3.97Å; E133-L138 HydrophobicContact CB-CG 4.48Å
134	Q	96.6	Very high	95.8	Very high	73 Å²	73	45.9 Å²	45.9	34%	0.341	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.2	173	-72.5	179.3	57.2	0	0	109.6	E111 Y112 E136 T137	E111-Q134 CarbonylContact O-C 3.54Å; E111-Q134 WeakPolarHBondContact O-CA 3.43Å; Y112-Q134 HydrophobicContact CD1-CG 4.05Å; Y112-Q134 HydrophobicContact CE1-CG 3.58Å; Q134-E136 PolarHBondContact O-N 2.7Å; Q134-E136 VanDerWaalsContact O-N 3.1Å; Q134-T137 HydrophobicContact CB-CG2 4.02Å; Q134-T137 PolarHBondContact O-N 2.56Å; Q134-T137 PolarHBondContact O-OG1 3.3Å
135	W	96.9	Very high	95.7	Very high	23 Å²	23	45.9 Å²	45.9	9%	0.087	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.9	-176.6	-179.1	-99.3	0	0	0	112.5	R48 F81 E111 L113 E133 T137 L138 K143 L146	R48-W135 HydrophobicContact CB-CE3 4.34Å; R48-W135 HydrophobicContact CB-CZ3 4.42Å; R48-W135 HydrophobicContact CG-CD2 4.16Å; R48-W135 HydrophobicContact CG-CE3 3.92Å; R48-W135 HydrophobicContact CG-CZ3 4.4Å; R48-W135 VanDerWaalsContact CZ-CD1 3.43Å; R48-W135 VanDerWaalsContact NH1-CE2 3.3Å; R48-W135 VanDerWaalsContact NH2-NE1 3.17Å; F81-W135 HydrophobicContact CE2-CZ3 4.08Å; F81-W135 AromaticContact CZ-CH2 3.75Å; F81-W135 HydrophobicContact CZ-CH2 3.75Å; F81-W135 AromaticContact CZ-CZ3 3.76Å; F81-W135 HydrophobicContact CZ-CZ3 3.76Å; E111-W135 HydrophobicContact CB-CB 3.75Å; E111-W135 HydrophobicContact CB-CG 4.49Å; E111-W135 WeakPolarHBondContact O-CB 3.46Å; E111-W135 PolarHBondContact O-N 3.13Å; L113-W135 HydrophobicContact CB-CE3 4.4Å; E133-W135 PolarHBondContact O-N 3.14Å; W135-T137 PolarHBondContact O-N 2.7Å; W135-L138 HydrophobicContact CE3-CD1 3.84Å; W135-L138 HydrophobicContact CZ3-CD1 4.12Å; W135-K143 HydrophobicContact CH2-CB 4.15Å; W135-K143 HydrophobicContact CH2-CD 4.47Å; W135-K143 HydrophobicContact CH2-CG 3.85Å; W135-K143 HydrophobicContact CZ2-CB 4.2Å; W135-K143 HydrophobicContact CZ2-CD 3.84Å; W135-K143 HydrophobicContact CZ2-CG 3.73Å; W135-K143 HydrophobicContact CZ3-CG 4.4Å; W135-K143 WeakPolarHBondContact O-CE 3.04Å; W135-K143 PolarHBondContact O-NZ 3.29Å; W135-L146 HydrophobicContact CH2-CD1 4.18Å; W135-L146 HydrophobicContact CZ3-CD1 3.79Å
136	E	94.9	Very high	95.6	Very high	144 Å²	144	44.4 Å²	44.4	67%	0.673	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-23.1	179.6	-61.9	-52.1	141.7	0	0	113.9	Q134	Q134-E136 PolarHBondContact O-N 2.7Å; Q134-E136 VanDerWaalsContact O-N 3.1Å
137	T	95.1	Very high	95.4	Very high	83 Å²	83	47.8 Å²	47.8	51%	0.509	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-20.1	178.8	61.7	0	0	0	0	112.7	E133 Q134 W135	E133-T137 PolarHBondContact OE2-OG1 3.45Å; Q134-T137 HydrophobicContact CB-CG2 4.02Å; Q134-T137 PolarHBondContact O-N 2.56Å; Q134-T137 PolarHBondContact O-OG1 3.3Å; W135-T137 PolarHBondContact O-N 2.7Å
138	L	95.7	Very high	94.9	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	27%	0.271	C	S	.	.	S	Bend	trans	-65.5	136.9	177.6	-64.7	174.9	0	0	0	111.8	L113 F131 E133 W135 Q142 K143	L113-L138 HydrophobicContact CB-CD1 3.75Å; L113-L138 HydrophobicContact CD2-CD1 3.66Å; L113-L138 HydrophobicContact CD2-CD2 4.32Å; L113-L138 HydrophobicContact CG-CD1 4.3Å; F131-L138 HydrophobicContact CE1-CD2 4.1Å; F131-L138 HydrophobicContact CZ-CD2 3.9Å; E133-L138 HydrophobicContact CB-CD2 3.97Å; E133-L138 HydrophobicContact CB-CG 4.48Å; W135-L138 HydrophobicContact CE3-CD1 3.84Å; W135-L138 HydrophobicContact CZ3-CD1 4.12Å; L138-Q142 HydrophobicContact CB-CB 4.41Å; L138-Q142 HydrophobicContact CD2-CB 4.46Å; L138-K143 HydrophobicContact CB-CG 4Å; L138-K143 VanDerWaalsContact O-CE 3.25Å; L138-K143 WeakPolarHBondContact O-CE 3.02Å; L138-K143 PolarHBondContact O-NZ 3.28Å
139	S	94.9	Very high	94.6	Very high	18 Å²	18	47.7 Å²	47.7	13%	0.126	26%	0.255	C	S	.	.			trans	-63.2	155.3	174.8	94.5	0	0	0	0	111	M141 Q142 K143 K191	S139-M141 PolarHBondContact O-N 3.18Å; S139-M141 VanDerWaalsContact O-N 3.16Å; S139-M141 PolarHBondContact OG-N 3.38Å; S139-M141 VanDerWaalsContact OG-N 3.14Å; S139-Q142 PolarHBondContact O-N 3.04Å; S139-Q142 PolarHBondContact OG-N 3.41Å; S139-K143 WeakPolarHBondContact O-CG 3.35Å; S139-K143 PolarHBondContact O-N 2.73Å; S139-K191 WeakPolarHBondContact CB-O 3.29Å; S139-K191 PolarHBondContact OG-O 3.3Å
140	A	93.6	Very high	94.5	Very high	87 Å²	87	45.1 Å²	45.1	72%	0.719	24%	0.237	S	C	*	.	H	α-helix	trans	-56.7	-31.5	173.4	0	0	0	0	0	112.3	K144	A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 PolarHBondContact O-N 3.38Å
141	M	91.8	Very high	94.4	Very high	25 Å²	25	48.6 Å²	48.6	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-73.9	-43.8	178.4	-167	61.7	69.8	0	0	111.9	S139 K143 K144 S145 R149 H192 G208	S139-M141 PolarHBondContact O-N 3.18Å; S139-M141 VanDerWaalsContact O-N 3.16Å; S139-M141 PolarHBondContact OG-N 3.38Å; S139-M141 VanDerWaalsContact OG-N 3.14Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.88Å; M141-K144 PolarHBondContact O-N 3.04Å; M141-S145 WeakPolarHBondContact O-CB 3.42Å; M141-S145 PolarHBondContact O-N 2.75Å; M141-S145 PolarHBondContact O-OG 3.34Å; M141-S145 VanDerWaalsContact O-OG 3.05Å; M141-R149 PolarHBondContact SD-NH1 2.84Å; M141-H192 WeakPolarHBondContact CG-O 3.48Å; M141-G208 WeakPolarHBondContact CE-O 3.46Å; M141-G208 VanDerWaalsContact SD-O 3.36Å
142	Q	95.3	Very high	94.1	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-49.2	175.3	-74	169.6	-34	0	0	110.1	L138 S139 K144 S145 L146 A190	L138-Q142 HydrophobicContact CB-CB 4.41Å; L138-Q142 HydrophobicContact CD2-CB 4.46Å; S139-Q142 PolarHBondContact O-N 3.04Å; S139-Q142 PolarHBondContact OG-N 3.41Å; Q142-K144 VanDerWaalsContact C-N 3.28Å; Q142-K144 PolarHBondContact O-N 2.99Å; Q142-S145 PolarHBondContact O-N 3.45Å; Q142-L146 WeakPolarHBondContact O-CG 3.3Å; Q142-L146 PolarHBondContact O-N 2.99Å; Q142-L146 VanDerWaalsContact O-N 3.07Å; Q142-A190 PolarHBondContact NE2-O 3.32Å
143	K	95.5	Very high	94	Very high	51 Å²	51	49.5 Å²	49.5	22%	0.222	26%	0.263	C	S	.	.	H	α-helix	trans	-54.9	-41.7	176.9	-68.9	175.4	-179.2	172.8	0	112.6	W135 L138 S139 M141	W135-K143 HydrophobicContact CH2-CB 4.15Å; W135-K143 HydrophobicContact CH2-CD 4.47Å; W135-K143 HydrophobicContact CH2-CG 3.85Å; W135-K143 HydrophobicContact CZ2-CB 4.2Å; W135-K143 HydrophobicContact CZ2-CD 3.84Å; W135-K143 HydrophobicContact CZ2-CG 3.73Å; W135-K143 HydrophobicContact CZ3-CG 4.4Å; W135-K143 WeakPolarHBondContact O-CE 3.04Å; W135-K143 PolarHBondContact O-NZ 3.29Å; L138-K143 HydrophobicContact CB-CG 4Å; L138-K143 VanDerWaalsContact O-CE 3.25Å; L138-K143 WeakPolarHBondContact O-CE 3.02Å; L138-K143 PolarHBondContact O-NZ 3.28Å; S139-K143 WeakPolarHBondContact O-CG 3.35Å; S139-K143 PolarHBondContact O-N 2.73Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.88Å
144	K	92.6	Very high	94	Very high	69 Å²	69	48.2 Å²	48.2	30%	0.3	26%	0.261	S	S	.	.	H	α-helix	trans	-71.7	-45.2	178.4	-174.1	167	-175.3	155.7	0	112.1	A140 M141 Q142 L146 T147 Q148 S209	A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 PolarHBondContact O-N 3.38Å; M141-K144 PolarHBondContact O-N 3.04Å; Q142-K144 VanDerWaalsContact C-N 3.28Å; Q142-K144 PolarHBondContact O-N 2.99Å; K144-L146 VanDerWaalsContact C-N 3.27Å; K144-L146 PolarHBondContact O-N 3.48Å; K144-T147 PolarHBondContact O-N 2.78Å; K144-T147 PolarHBondContact O-OG1 2.91Å; K144-Q148 PolarHBondContact O-N 3.2Å; K144-S209 WeakPolarHBondContact CE-O 3.4Å; K144-S209 PolarHBondContact NZ-O 3.48Å
145	S	94.8	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-32.5	-177.7	-68	0	0	0	0	113.1	M141 Q142 T147 Q148 R149 Y150	M141-S145 WeakPolarHBondContact O-CB 3.42Å; M141-S145 PolarHBondContact O-N 2.75Å; M141-S145 PolarHBondContact O-OG 3.34Å; M141-S145 VanDerWaalsContact O-OG 3.05Å; Q142-S145 PolarHBondContact O-N 3.45Å; S145-T147 PolarHBondContact O-N 2.04Å; S145-T147 VanDerWaalsContact O-N 3.13Å; S145-Q148 PolarHBondContact O-N 2.8Å; S145-R149 PolarHBondContact O-N 3.4Å; S145-Y150 VanDerWaalsContact CB-CE1 3.45Å; S145-Y150 PolarHBondContact O-N 2.89Å
146	L	95.5	Very high	93.8	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-53.3	-30.6	171.6	-71.8	168.9	0	0	0	113.5	F40 V46 F81 L113 W135 Q142 K144 Y150	F40-L146 HydrophobicContact CD2-CD2 3.85Å; F40-L146 HydrophobicContact CE2-CD2 4.33Å; V46-L146 HydrophobicContact CG1-CD2 4.18Å; F81-L146 HydrophobicContact CD1-CB 3.79Å; F81-L146 HydrophobicContact CD2-CD1 4.5Å; F81-L146 HydrophobicContact CE1-CB 3.95Å; F81-L146 HydrophobicContact CE1-CD1 4.33Å; F81-L146 HydrophobicContact CE2-CD1 4.09Å; F81-L146 HydrophobicContact CG-CB 4.17Å; F81-L146 HydrophobicContact CZ-CB 4.45Å; F81-L146 HydrophobicContact CZ-CD1 4.01Å; L113-L146 HydrophobicContact CD1-CD1 3.75Å; L113-L146 HydrophobicContact CD1-CD2 3.95Å; L113-L146 HydrophobicContact CD2-CD1 3.98Å; L113-L146 HydrophobicContact CD2-CD2 3.98Å; L113-L146 HydrophobicContact CG-CD1 4.49Å; W135-L146 HydrophobicContact CH2-CD1 4.18Å; W135-L146 HydrophobicContact CZ3-CD1 3.79Å; Q142-L146 WeakPolarHBondContact O-CG 3.3Å; Q142-L146 PolarHBondContact O-N 2.99Å; Q142-L146 VanDerWaalsContact O-N 3.07Å; K144-L146 VanDerWaalsContact C-N 3.27Å; K144-L146 PolarHBondContact O-N 3.48Å; L146-Y150 HydrophobicContact CD2-CD2 4.04Å; L146-Y150 HydrophobicContact CD2-CE2 4.12Å; L146-Y150 HydrophobicContact CG-CD2 4.36Å; L146-Y150 HydrophobicContact CG-CE2 4.24Å
147	T	92.3	Very high	93.9	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	27%	0.267	S	S	.	.	H	α-helix	trans	-101.8	-19.5	-177.1	55.5	0	0	0	0	114.4	F81 K144 S145	F81-T147 HydrophobicContact CD1-CG2 3.68Å; F81-T147 HydrophobicContact CE1-CG2 3.61Å; K144-T147 PolarHBondContact O-N 2.78Å; K144-T147 PolarHBondContact O-OG1 2.91Å; S145-T147 PolarHBondContact O-N 2.04Å; S145-T147 VanDerWaalsContact O-N 3.13Å
148	Q	88.1	Confident	94	Very high	96 Å²	96	45.8 Å²	45.8	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-129.5	-20.5	-164.2	-70.6	-177.3	0.7	0	0	114.7	K144 S145	K144-Q148 PolarHBondContact O-N 3.2Å; S145-Q148 PolarHBondContact O-N 2.8Å
149	R	88.8	Confident	94	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.026	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-40.9	-162.2	-61.4	-175.2	-176.6	167	2	115.3	M141 S145 E151 T152 G153 A194 G208 V210	M141-R149 PolarHBondContact SD-NH1 2.84Å; S145-R149 PolarHBondContact O-N 3.4Å; R149-E151 VanDerWaalsContact C-N 3.3Å; R149-E151 PolarHBondContact O-N 3.09Å; R149-T152 WeakPolarHBondContact CA-OG1 3.29Å; R149-T152 PolarHBondContact O-N 3.25Å; R149-T152 PolarHBondContact O-OG1 3.4Å; R149-G153 PolarHBondContact O-N 3.25Å; R149-A194 HydrophobicContact CB-CB 4.21Å; R149-G208 PolarHBondContact NH1-O 3.44Å; R149-G208 PolarHBondContact NH2-O 2.93Å; R149-V210 PolarHBondContact NH2-O 2.93Å
150	Y	95.4	Very high	94	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.016	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-43.6	-174.2	-67.1	-31.4	0	0	0	110.8	P36 Q37 F40 C41 S145 L146 T152 G153 C154 A194	P36-Y150 HydrophobicContact CB-CE2 4.47Å; Q37-Y150 HydrophobicContact CB-CD1 3.35Å; Q37-Y150 HydrophobicContact CB-CE1 3.59Å; Q37-Y150 HydrophobicContact CB-CG 4.09Å; Q37-Y150 HydrophobicContact CG-CD1 3.53Å; Q37-Y150 HydrophobicContact CG-CE1 4.25Å; Q37-Y150 HydrophobicContact CG-CG 4.14Å; F40-Y150 HydrophobicContact CB-CD2 4.09Å; F40-Y150 HydrophobicContact CB-CG 4.32Å; F40-Y150 VanDerWaalsContact CD1-CB 3.41Å; F40-Y150 HydrophobicContact CD2-CD2 4.18Å; F40-Y150 HydrophobicContact CG-CD2 4.11Å; F40-Y150 HydrophobicContact CG-CG 4.28Å; C41-Y150 PolarHBondContact SG-O 3.16Å; S145-Y150 VanDerWaalsContact CB-CE1 3.45Å; S145-Y150 PolarHBondContact O-N 2.89Å; L146-Y150 HydrophobicContact CD2-CD2 4.04Å; L146-Y150 HydrophobicContact CD2-CE2 4.12Å; L146-Y150 HydrophobicContact CG-CD2 4.36Å; L146-Y150 HydrophobicContact CG-CE2 4.24Å; Y150-T152 PolarHBondContact O-N 2.92Å; Y150-G153 CarbonylContact O-C 3.58Å; Y150-G153 PolarHBondContact O-N 3.34Å; Y150-G153 VanDerWaalsContact O-N 3.13Å; Y150-C154 PolarHBondContact O-N 2.94Å; Y150-C154 PolarHBondContact O-SG 3.15Å; Y150-A194 HydrophobicContact CD1-CB 4.34Å; Y150-A194 HydrophobicContact CE1-CB 4.21Å
151	E	94.3	Very high	94.1	Very high	108 Å²	108	45.4 Å²	45.4	51%	0.505	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-56.7	-51.8	174.7	-168	68.7	-157.6	0	0	112.3	F40 R149 G153 C154	F40-E151 HydrophobicContact CE1-CB 3.92Å; F40-E151 WeakPolarHBondContact CE1-OE2 3.06Å; F40-E151 HydrophobicContact CZ-CB 4.35Å; R149-E151 VanDerWaalsContact C-N 3.3Å; R149-E151 PolarHBondContact O-N 3.09Å; E151-G153 PolarHBondContact O-N 2.04Å; E151-G153 VanDerWaalsContact O-N 3.17Å; E151-C154 WeakPolarHBondContact O-CB 3.39Å; E151-C154 PolarHBondContact O-N 3.41Å; E151-C154 VanDerWaalsContact O-N 3.1Å; E151-C154 PolarHBondContact O-SG 2.96Å
152	T	90.8	Very high	94.1	Very high	88 Å²	88	48.3 Å²	48.3	54%	0.54	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-65.8	-20.4	179.5	54.6	0	0	0	0	113.5	R149 Y150	R149-T152 WeakPolarHBondContact CA-OG1 3.29Å; R149-T152 PolarHBondContact O-N 3.25Å; R149-T152 PolarHBondContact O-OG1 3.4Å; Y150-T152 PolarHBondContact O-N 2.92Å
153	G	94.2	Very high	94	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-94	2.1	178.1	0	0	0	0	0	113.5	Q37 R149 Y150 E151 D155 C156 C195	Q37-G153 VanDerWaalsContact NE2-C 3.3Å; Q37-G153 PolarHBondContact NE2-O 3.21Å; R149-G153 PolarHBondContact O-N 3.25Å; Y150-G153 CarbonylContact O-C 3.58Å; Y150-G153 PolarHBondContact O-N 3.34Å; Y150-G153 VanDerWaalsContact O-N 3.13Å; E151-G153 PolarHBondContact O-N 2.04Å; E151-G153 VanDerWaalsContact O-N 3.17Å; G153-D155 PolarHBondContact O-N 3.04Å; G153-C156 WeakPolarHBondContact O-CB 3.45Å; G153-C156 PolarHBondContact O-N 3.09Å; G153-C195 WeakPolarHBondContact CA-O 3.04Å
154	C	96.1	Very high	93.8	Very high	43 Å²	43	56 Å²	56	29%	0.291	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.3	-178.5	-67	0	0	0	0	113.7	C41 Y150 E151 C156	C41-C154 WeakPolarHBondContact CA-SG 3.02Å; C41-C154 HydrophobicContact CB-CB 3.79Å; C41-C154 WeakPolarHBondContact CB-SG 3.27Å; C41-C154 WeakPolarHBondContact SG-CA 3.07Å; C41-C154 WeakPolarHBondContact SG-CB 3.21Å; C41-C154 CovalentContact SG-SG 2.04Å; C41-C154 PolarHBondContact SG-SG 3.47Å; Y150-C154 PolarHBondContact O-N 2.94Å; Y150-C154 PolarHBondContact O-SG 3.15Å; E151-C154 WeakPolarHBondContact O-CB 3.39Å; E151-C154 PolarHBondContact O-N 3.41Å; E151-C154 VanDerWaalsContact O-N 3.1Å; E151-C154 PolarHBondContact O-SG 2.96Å; C154-C156 PolarHBondContact O-N 2.63Å
155	D	94.8	Very high	93.8	Very high	125 Å²	125	58.6 Å²	58.6	67%	0.668	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.3	170.7	-67.3	-19.4	0	0	0	112.8	G153 K197	G153-D155 PolarHBondContact O-N 3.04Å; D155-K197 HydrophobicContact CB-CD 4.35Å
156	C	96.4	Very high	93.7	Very high	13 Å²	13	60.3 Å²	60.3	9%	0.088	33%	0.327	C	S	.	.	S	Bend	trans	-92.9	143.6	-179.6	-65	0	0	0	0	112.5	G153 C154 C195 I196 K197 C203	G153-C156 WeakPolarHBondContact O-CB 3.45Å; G153-C156 PolarHBondContact O-N 3.09Å; C154-C156 PolarHBondContact O-N 2.63Å; C156-C195 HydrophobicContact CB-CB 4.42Å; C156-C195 WeakPolarHBondContact CB-SG 3.44Å; C156-I196 VanDerWaalsContact SG-C 3.54Å; C156-K197 PolarHBondContact SG-N 2.81Å; C156-K197 VanDerWaalsContact SG-N 3.38Å; C156-C203 WeakPolarHBondContact CA-SG 3.41Å; C156-C203 HydrophobicContact CB-CB 3.65Å; C156-C203 WeakPolarHBondContact CB-SG 3.01Å; C156-C203 WeakPolarHBondContact SG-CB 3.35Å; C156-C203 CovalentContact SG-SG 2.03Å; C156-C203 PolarHBondContact SG-SG 3.3Å
157	R	96.8	Very high	93.5	Very high	125 Å²	125	67.1 Å²	67.1	47%	0.472	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.6	-177.2	-161.9	173.7	78.2	96.6	-5.1	111.2	I159 T172 E173 C174	R157-I159 HydrophobicContact CB-CD1 4.46Å; R157-I159 HydrophobicContact CG-CD1 3.76Å; R157-T172 PolarHBondContact N-O 2.86Å; R157-E173 HydrophobicContact CB-CG 3.98Å; R157-E173 IonicContact CZ-OE1 3.23Å; R157-E173 VanDerWaalsContact CZ-OE1 3.23Å; R157-E173 IonicContact NE-OE1 3.09Å; R157-E173 PolarHBondContact NE-OE1 3.27Å; R157-E173 VanDerWaalsContact NE-OE1 3.09Å; R157-E173 IonicContact NH2-OE1 2.61Å; R157-E173 PolarHBondContact NH2-OE1 2.02Å; R157-E173 IonicContact NH2-OE2 3.37Å; R157-E173 PolarHBondContact NH2-OE2 2.94Å; R157-E173 CarbonylContact O-C 3.46Å; R157-E173 WeakPolarHBondContact O-CA 3.47Å; R157-C174 PolarHBondContact O-N 3.32Å
158	I	97.1	Very high	93.5	Very high	8 Å²	8	67.7 Å²	67.7	4%	0.041	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.6	176.1	-60.7	172.7	0	0	0	109.6	H35 Q37 C174 W176 C195 W205	H35-I158 HydrophobicContact CB-CD1 4.07Å; H35-I158 HydrophobicContact CB-CG2 4.11Å; Q37-I158 HydrophobicContact CB-CD1 3.87Å; Q37-I158 HydrophobicContact CG-CD1 4.15Å; I158-C174 WeakPolarHBondContact CA-O 3.44Å; I158-W176 HydrophobicContact CG2-CB 3.76Å; I158-W176 HydrophobicContact CG2-CG 4.43Å; I158-C195 HydrophobicContact CD1-CB 3.98Å; I158-C195 HydrophobicContact CG1-CB 3.75Å; I158-W205 HydrophobicContact CD1-CH2 3.97Å; I158-W205 HydrophobicContact CD1-CZ3 4.41Å; I158-W205 HydrophobicContact CG1-CH2 4.23Å; I158-W205 HydrophobicContact CG2-CH2 4.07Å; I158-W205 HydrophobicContact CG2-CZ2 4.13Å
159	I	95.9	Very high	93.7	Very high	33 Å²	33	70.1 Å²	70.1	17%	0.169	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.4	-176	-48.5	-54.6	0	0	0	110	R157 C161 E173 C174 L175 W176	R157-I159 HydrophobicContact CB-CD1 4.46Å; R157-I159 HydrophobicContact CG-CD1 3.76Å; I159-C161 PolarHBondContact O-N 3.15Å; I159-E173 HydrophobicContact CD1-CG 4.13Å; I159-E173 HydrophobicContact CG1-CB 4.01Å; I159-E173 HydrophobicContact CG1-CG 3.91Å; I159-C174 PolarHBondContact N-O 3Å; I159-L175 HydrophobicContact CB-CD1 4.4Å; I159-L175 HydrophobicContact CG2-CD1 4.44Å; I159-W176 PolarHBondContact O-N 2.85Å
160	R	94.9	Very high	93.9	Very high	72 Å²	72	71.4 Å²	71.4	27%	0.272	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127	174.6	-172.8	-179.5	177.1	-152.3	0.7	110.6	P33 T162 W176 W179	P33-R160 VanDerWaalsContact CD-NH1 3.33Å; R160-T162 HydrophobicContact CG-CG2 4.41Å; R160-W176 HydrophobicContact CB-CE3 3.88Å; R160-W176 HydrophobicContact CB-CZ3 4.35Å; R160-W176 HydrophobicContact CG-CE3 3.84Å; R160-W176 HydrophobicContact CG-CZ3 4.09Å; R160-W179 VanDerWaalsContact NH2-CD2 3.31Å
161	C	95	Very high	93.8	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.007	41%	0.414	C	S	.	.			trans	-88.1	117.1	167.1	-177.8	0	0	0	0	110.1	I159 C166 L175 W176 T177 V180	I159-C161 PolarHBondContact O-N 3.15Å; C161-C166 HydrophobicContact CB-CB 3.77Å; C161-C166 WeakPolarHBondContact CB-SG 3.31Å; C161-C166 WeakPolarHBondContact SG-CB 3.31Å; C161-C166 CovalentContact SG-SG 2.02Å; C161-C166 PolarHBondContact SG-SG 3.09Å; C161-L175 HydrophobicContact CB-CD1 4.1Å; C161-L175 HydrophobicContact CB-CG 4.43Å; C161-W176 WeakPolarHBondContact CB-O 3.21Å; C161-W176 PolarHBondContact N-O 3.42Å; C161-T177 HydrophobicContact CB-CG2 4.25Å; C161-V180 HydrophobicContact CB-CG2 4.11Å; C161-V180 WeakPolarHBondContact O-CG1 3.4Å
162	T	91.6	Very high	93.9	Very high	87 Å²	87	73 Å²	73	53%	0.534	41%	0.405	S	S	.	.			trans	-98	-31	178.3	51.9	0	0	0	0	112.9	R160 V180	R160-T162 HydrophobicContact CG-CG2 4.41Å; T162-V180 WeakPolarHBondContact O-CG1 2.97Å
163	S	92.9	Very high	94.1	Very high	81 Å²	81	69.4 Å²	69.4	57%	0.566	38%	0.382	S	S	*	.	S	Bend	trans	-149.7	146.8	177.9	55.7	0	0	0	0	110.7	P165	S163-P165 CarbonylContact O-C 3.59Å
164	I	91.9	Very high	94.3	Very high	138 Å²	138	69.6 Å²	69.6	71%	0.708	38%	0.384	S	S	*	.	S	Bend	trans	-87.4	137.7	177.5	-62.3	174	0	0	0	108.8	V180	I164-V180 HydrophobicContact CD1-CB 4.44Å; I164-V180 HydrophobicContact CG1-CB 4.33Å; I164-V180 HydrophobicContact CG1-CG1 4.47Å; I164-V180 HydrophobicContact CG1-CG2 4.4Å
165	P	92.6	Very high	94.3	Very high	122 Å²	122	69.2 Å²	69.2	79%	0.792	38%	0.379	S	S	*	.	S	Bend	cis	-83.4	143.7	4.3	33.3	-34.2	0	0	0	113.4	S163	S163-P165 CarbonylContact O-C 3.59Å
166	C	92.5	Very high	94.4	Very high	37 Å²	37	63.3 Å²	63.3	25%	0.25	35%	0.347	C	S	.	.			trans	-133.7	134.6	173.4	53.2	0	0	0	0	108.4	C161 L175	C161-C166 HydrophobicContact CB-CB 3.77Å; C161-C166 WeakPolarHBondContact CB-SG 3.31Å; C161-C166 WeakPolarHBondContact SG-CB 3.31Å; C161-C166 CovalentContact SG-SG 2.02Å; C161-C166 PolarHBondContact SG-SG 3.09Å; C166-L175 HydrophobicContact CB-CD1 4.16Å; C166-L175 WeakPolarHBondContact O-CD2 3.3Å
167	M	91.3	Very high	94.4	Very high	150 Å²	150	64 Å²	64	74%	0.739	35%	0.351	S	S	*	.			trans	-136	156.6	-177.1	-60.5	-163.3	-60.7	0	0	109.8
168	I	92.1	Very high	94.3	Very high	84 Å²	84	58.2 Å²	58.2	43%	0.431	33%	0.329	S	S	.	.			trans	-76.1	145	169.3	59.4	176.7	0	0	0	109.6	E173 L175	I168-E173 HydrophobicContact CB-CB 4.06Å; I168-E173 HydrophobicContact CG2-CB 3.96Å; I168-L175 HydrophobicContact CG2-CB 3.91Å
169	N	91.6	Very high	94.2	Very high	147 Å²	147	62.4 Å²	62.4	79%	0.786	35%	0.345	S	S	*	.	S	Bend	trans	-107.2	-10.8	178.6	-65.3	-35	0	0	0	112.6	E173	N169-E173 PolarHBondContact N-OE2 2.79Å
170	S	94	Very high	94.2	Very high	34 Å²	34	61.7 Å²	61.7	24%	0.238	34%	0.342	C	S	.	.	S	Bend	trans	-138.4	149.2	-178.7	177.3	0	0	0	0	110.3	T172 E173	S170-T172 PolarHBondContact O-N 2.85Å; S170-T172 PolarHBondContact OG-N 2.94Å; S170-T172 PolarHBondContact OG-OG1 3.31Å; S170-E173 VanDerWaalsContact CB-OE1 3.23Å; S170-E173 WeakPolarHBondContact CB-OE1 3.34Å; S170-E173 PolarHBondContact N-OE2 2.77Å; S170-E173 WeakPolarHBondContact O-CB 3.08Å; S170-E173 PolarHBondContact O-N 2.91Å
171	P	93.8	Very high	94.1	Very high	91 Å²	91	63.9 Å²	63.9	59%	0.591	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.9	170.6	28.1	-36.6	0	0	0	113.2	E173 S202 C203	P171-E173 VanDerWaalsContact C-N 3.25Å; P171-E173 PolarHBondContact O-N 3.44Å; P171-S202 CarbonylContact O-C 3.56Å; P171-S202 WeakPolarHBondContact O-CA 3.29Å; P171-C203 PolarHBondContact O-N 2.03Å
172	T	95.3	Very high	94.1	Very high	53 Å²	53	68 Å²	68	33%	0.325	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12.3	178.3	63.5	0	0	0	0	113.6	R157 S170 C203	R157-T172 PolarHBondContact N-O 2.86Å; S170-T172 PolarHBondContact O-N 2.85Å; S170-T172 PolarHBondContact OG-N 2.94Å; S170-T172 PolarHBondContact OG-OG1 3.31Å; T172-C203 PolarHBondContact O-SG 2.93Å
173	E	96.3	Very high	94.1	Very high	13 Å²	13	70.8 Å²	70.8	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.9	-174.1	-73.8	164.9	-158.9	0	0	113.1	R157 I159 I168 N169 S170 P171	R157-E173 HydrophobicContact CB-CG 3.98Å; R157-E173 IonicContact CZ-OE1 3.23Å; R157-E173 VanDerWaalsContact CZ-OE1 3.23Å; R157-E173 IonicContact NE-OE1 3.09Å; R157-E173 PolarHBondContact NE-OE1 3.27Å; R157-E173 VanDerWaalsContact NE-OE1 3.09Å; R157-E173 IonicContact NH2-OE1 2.61Å; R157-E173 PolarHBondContact NH2-OE1 2.02Å; R157-E173 IonicContact NH2-OE2 3.37Å; R157-E173 PolarHBondContact NH2-OE2 2.94Å; R157-E173 CarbonylContact O-C 3.46Å; R157-E173 WeakPolarHBondContact O-CA 3.47Å; I159-E173 HydrophobicContact CD1-CG 4.13Å; I159-E173 HydrophobicContact CG1-CB 4.01Å; I159-E173 HydrophobicContact CG1-CG 3.91Å; I168-E173 HydrophobicContact CB-CB 4.06Å; I168-E173 HydrophobicContact CG2-CB 3.96Å; N169-E173 PolarHBondContact N-OE2 2.79Å; S170-E173 VanDerWaalsContact CB-OE1 3.23Å; S170-E173 WeakPolarHBondContact CB-OE1 3.34Å; S170-E173 PolarHBondContact N-OE2 2.77Å; S170-E173 WeakPolarHBondContact O-CB 3.08Å; S170-E173 PolarHBondContact O-N 2.91Å; P171-E173 VanDerWaalsContact C-N 3.25Å; P171-E173 PolarHBondContact O-N 3.44Å
174	C	96.9	Very high	94.2	Very high	4 Å²	4	69.4 Å²	69.4	3%	0.027	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.2	167.6	-62.4	0	0	0	0	110.6	R157 I158 I159 C195 A204 W205	R157-C174 PolarHBondContact O-N 3.32Å; I158-C174 WeakPolarHBondContact CA-O 3.44Å; I159-C174 PolarHBondContact N-O 3Å; C174-C195 HydrophobicContact CB-CB 3.61Å; C174-C195 WeakPolarHBondContact CB-SG 3.39Å; C174-C195 WeakPolarHBondContact SG-CB 3.4Å; C174-C195 CovalentContact SG-SG 2.02Å; C174-C195 PolarHBondContact SG-SG 3.24Å; C174-A204 VanDerWaalsContact SG-C 3.57Å; C174-W205 HydrophobicContact CB-CD2 4.02Å; C174-W205 HydrophobicContact CB-CG 4.38Å; C174-W205 HydrophobicContact CB-CZ2 3.89Å
175	L	96.5	Very high	94.2	Very high	36 Å²	36	65.7 Å²	65.7	19%	0.188	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	121	178.8	-170.1	68.3	0	0	0	111.3	I159 C161 C166 I168 T177 Q189 W205	I159-L175 HydrophobicContact CB-CD1 4.4Å; I159-L175 HydrophobicContact CG2-CD1 4.44Å; C161-L175 HydrophobicContact CB-CD1 4.1Å; C161-L175 HydrophobicContact CB-CG 4.43Å; C166-L175 HydrophobicContact CB-CD1 4.16Å; C166-L175 WeakPolarHBondContact O-CD2 3.3Å; I168-L175 HydrophobicContact CG2-CB 3.91Å; L175-T177 HydrophobicContact CD2-CG2 3.96Å; L175-T177 HydrophobicContact CG-CG2 3.93Å; L175-Q189 PolarHBondContact O-NE2 2.9Å; L175-W205 PolarHBondContact O-NE1 2.02Å
176	W	97.3	Very high	94.3	Very high	1 Å²	1	62.1 Å²	62.1	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.8	177.8	-179.2	38	0	0	0	110.9	P33 H35 I158 I159 R160 C161 D178 V185 W205	P33-W176 HydrophobicContact CB-CH2 4.16Å; P33-W176 HydrophobicContact CB-CZ3 4.32Å; H35-W176 HydrophobicContact CB-CD2 4.38Å; H35-W176 HydrophobicContact CB-CE3 4.35Å; I158-W176 HydrophobicContact CG2-CB 3.76Å; I158-W176 HydrophobicContact CG2-CG 4.43Å; I159-W176 PolarHBondContact O-N 2.85Å; R160-W176 HydrophobicContact CB-CE3 3.88Å; R160-W176 HydrophobicContact CB-CZ3 4.35Å; R160-W176 HydrophobicContact CG-CE3 3.84Å; R160-W176 HydrophobicContact CG-CZ3 4.09Å; C161-W176 WeakPolarHBondContact CB-O 3.21Å; C161-W176 PolarHBondContact N-O 3.42Å; W176-D178 PolarHBondContact NE1-OD2 2.61Å; W176-V185 HydrophobicContact CH2-CB 4.1Å; W176-V185 HydrophobicContact CH2-CG1 4.45Å; W176-V185 HydrophobicContact CZ2-CB 4.23Å; W176-V185 VanDerWaalsContact CZ2-O 3.26Å; W176-V185 WeakPolarHBondContact CZ2-O 3.44Å; W176-W205 HydrophobicContact CB-CZ2 4.12Å
177	T	96.1	Very high	94.3	Very high	27 Å²	27	60.5 Å²	60.5	17%	0.166	32%	0.317	C	S	.	.			trans	-114.7	-3.1	-167.5	51.4	0	0	0	0	114.8	C161 L175 W179 V180 I181 Q189	C161-T177 HydrophobicContact CB-CG2 4.25Å; L175-T177 HydrophobicContact CD2-CG2 3.96Å; L175-T177 HydrophobicContact CG-CG2 3.93Å; T177-W179 PolarHBondContact O-N 3.38Å; T177-W179 VanDerWaalsContact O-N 3.08Å; T177-V180 HydrophobicContact CG2-CG2 4.36Å; T177-V180 WeakPolarHBondContact O-CG2 3.17Å; T177-V180 PolarHBondContact O-N 3.33Å; T177-I181 PolarHBondContact O-N 2.94Å; T177-Q189 PolarHBondContact OG1-OE1 2.86Å
178	D	95.8	Very high	94.5	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-49.7	-40.1	-179.7	-67	-9.2	0	0	0	112.2	W176 E182 K183 T184 G187 Q189 A190	W176-D178 PolarHBondContact NE1-OD2 2.61Å; D178-E182 WeakPolarHBondContact O-CA 3.47Å; D178-E182 WeakPolarHBondContact O-CB 2.95Å; D178-E182 PolarHBondContact O-N 2.9Å; D178-K183 PolarHBondContact O-N 2.98Å; D178-T184 CarbonylContact C-O 3.22Å; D178-T184 VanDerWaalsContact C-O 3.22Å; D178-T184 WeakPolarHBondContact CB-O 3.35Å; D178-G187 WeakPolarHBondContact OD2-CA 3.42Å; D178-G187 PolarHBondContact OD2-N 2.88Å; D178-Q189 WeakPolarHBondContact OD1-CB 3.18Å; D178-Q189 WeakPolarHBondContact OD1-CG 3.49Å; D178-Q189 PolarHBondContact OD1-N 2.88Å; D178-Q189 PolarHBondContact OD1-OE1 2.82Å; D178-Q189 PolarHBondContact OD2-N 2.91Å; D178-A190 WeakPolarHBondContact OD2-CB 3.35Å; D178-A190 PolarHBondContact OD2-N 3.21Å
179	W	94.5	Very high	94.6	Very high	97 Å²	97	53.8 Å²	53.8	37%	0.367	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-43.9	180	-177.8	-104.1	0	0	0	113.3	R160 T177 K183 T184 V185	R160-W179 VanDerWaalsContact NH2-CD2 3.31Å; T177-W179 PolarHBondContact O-N 3.38Å; T177-W179 VanDerWaalsContact O-N 3.08Å; W179-K183 VanDerWaalsContact O-CA 3.25Å; W179-K183 WeakPolarHBondContact O-CA 3.21Å; W179-K183 WeakPolarHBondContact O-CD 3.34Å; W179-K183 PolarHBondContact O-N 3.22Å; W179-T184 PolarHBondContact N-O 3.17Å; W179-V185 HydrophobicContact CE3-CG1 3.88Å; W179-V185 HydrophobicContact CZ3-CG1 4.23Å
180	V	95.3	Very high	94.8	Very high	18 Å²	18	46.8 Å²	46.8	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-76.9	-35.3	-177.4	-74.2	0	0	0	0	112	C161 T162 I164 T177 K183	C161-V180 HydrophobicContact CB-CG2 4.11Å; C161-V180 WeakPolarHBondContact O-CG1 3.4Å; T162-V180 WeakPolarHBondContact O-CG1 2.97Å; I164-V180 HydrophobicContact CD1-CB 4.44Å; I164-V180 HydrophobicContact CG1-CB 4.33Å; I164-V180 HydrophobicContact CG1-CG1 4.47Å; I164-V180 HydrophobicContact CG1-CG2 4.4Å; T177-V180 HydrophobicContact CG2-CG2 4.36Å; T177-V180 WeakPolarHBondContact O-CG2 3.17Å; T177-V180 PolarHBondContact O-N 3.33Å; V180-K183 PolarHBondContact O-NZ 3.21Å
181	I	93.3	Very high	94.9	Very high	118 Å²	118	48.9 Å²	48.9	61%	0.605	25%	0.249	S	C	*	.	H	α-helix	trans	-83.5	-51.3	-176.9	-61.3	176.6	0	0	0	111.6	T177	T177-I181 PolarHBondContact O-N 2.94Å
182	E	94.1	Very high	94.9	Very high	88 Å²	88	47.2 Å²	47.2	41%	0.411	23%	0.233	S	C	.	.	H	α-helix	trans	-107.2	-6	-170.1	-59.8	177.8	-125.4	0	0	113.4	D178 T184 G187 E188	D178-E182 WeakPolarHBondContact O-CA 3.47Å; D178-E182 WeakPolarHBondContact O-CB 2.95Å; D178-E182 PolarHBondContact O-N 2.9Å; E182-T184 HydrophobicContact CB-CG2 3.7Å; E182-T184 PolarHBondContact O-N 2.76Å; E182-G187 WeakPolarHBondContact OE2-CA 3.45Å; E182-E188 VanDerWaalsContact OE1-CB 3.26Å; E182-E188 WeakPolarHBondContact OE1-CB 3.34Å; E182-E188 PolarHBondContact OE1-N 3.48Å
183	K	93	Very high	94.9	Very high	145 Å²	145	46.6 Å²	46.6	63%	0.63	23%	0.226	S	C	*	.	S	Bend	trans	58.3	27.9	-175.4	-50.8	-54.3	-176.5	-155.9	0	113.5	D178 W179 V180	D178-K183 PolarHBondContact O-N 2.98Å; W179-K183 VanDerWaalsContact O-CA 3.25Å; W179-K183 WeakPolarHBondContact O-CA 3.21Å; W179-K183 WeakPolarHBondContact O-CD 3.34Å; W179-K183 PolarHBondContact O-N 3.22Å; V180-K183 PolarHBondContact O-NZ 3.21Å
184	T	93.7	Very high	94.8	Very high	52 Å²	52	46 Å²	46	32%	0.319	22%	0.223	S	C	.	.			trans	-136.3	153.3	177	-179.6	0	0	0	0	111.2	D178 W179 E182 N186	D178-T184 CarbonylContact C-O 3.22Å; D178-T184 VanDerWaalsContact C-O 3.22Å; D178-T184 WeakPolarHBondContact CB-O 3.35Å; W179-T184 PolarHBondContact N-O 3.17Å; E182-T184 HydrophobicContact CB-CG2 3.7Å; E182-T184 PolarHBondContact O-N 2.76Å; T184-N186 PolarHBondContact OG1-N 3.42Å
185	V	92.8	Very high	94.8	Very high	60 Å²	60	45.8 Å²	45.8	36%	0.364	22%	0.222	S	C	.	.	S	Bend	trans	-92.1	-8.3	173.9	-59.3	0	0	0	0	112.2	P33 W176 W179 A190	P33-V185 HydrophobicContact CB-CB 4.28Å; P33-V185 HydrophobicContact CB-CG1 3.65Å; P33-V185 HydrophobicContact CG-CG1 3.91Å; W176-V185 HydrophobicContact CH2-CB 4.1Å; W176-V185 HydrophobicContact CH2-CG1 4.45Å; W176-V185 HydrophobicContact CZ2-CB 4.23Å; W176-V185 VanDerWaalsContact CZ2-O 3.26Å; W176-V185 WeakPolarHBondContact CZ2-O 3.44Å; W179-V185 HydrophobicContact CE3-CG1 3.88Å; W179-V185 HydrophobicContact CZ3-CG1 4.23Å; V185-A190 WeakPolarHBondContact O-CB 3.26Å
186	N	93.5	Very high	94.7	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.251	22%	0.215	S	C	.	.	S	Bend	trans	-119.5	54.4	175.5	-167.1	17.7	0	0	0	109.4	T184 K191	T184-N186 PolarHBondContact OG1-N 3.42Å; N186-K191 WeakPolarHBondContact O-CE 3.34Å; N186-K191 PolarHBondContact O-NZ 3.29Å; N186-K191 VanDerWaalsContact OD1-CG 3.31Å; N186-K191 WeakPolarHBondContact OD1-CG 3.47Å
187	G	94.3	Very high	94.4	Very high	2 Å²	2	48 Å²	48	2%	0.021	23%	0.23	C	C	.	.	S	Bend	trans	-87.9	-158	-179.3	0	0	0	0	0	112.6	D178 E182 K191	D178-G187 WeakPolarHBondContact OD2-CA 3.42Å; D178-G187 PolarHBondContact OD2-N 2.88Å; E182-G187 WeakPolarHBondContact OE2-CA 3.45Å; G187-K191 WeakPolarHBondContact O-CB 3.42Å; G187-K191 VanDerWaalsContact O-CG 3.31Å; G187-K191 WeakPolarHBondContact O-CG 3.23Å; G187-K191 PolarHBondContact O-N 2.82Å
188	E	93.8	Very high	94.1	Very high	69 Å²	69	48.4 Å²	48.4	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-43.4	-175	-174.2	68.2	179	0	0	112.3	E182 K191 H192 F193 R207	E182-E188 VanDerWaalsContact OE1-CB 3.26Å; E182-E188 WeakPolarHBondContact OE1-CB 3.34Å; E182-E188 PolarHBondContact OE1-N 3.48Å; E188-K191 PolarHBondContact O-N 2.76Å; E188-H192 WeakPolarHBondContact O-CB 3.19Å; E188-H192 PolarHBondContact O-N 3.43Å; E188-H192 IonicContact OE1-CD2 2.79Å; E188-H192 IonicContact OE2-CD2 2.89Å; E188-H192 PolarHBondContact OE2-CD2 2.93Å; E188-H192 IonicContact OE2-NE2 2.72Å; E188-F193 HydrophobicContact CG-CE2 4.08Å; E188-R207 IonicContact OE1-CZ 3.8Å; E188-R207 IonicContact OE1-NH1 3.7Å; E188-R207 IonicContact OE1-NH2 2.61Å; E188-R207 PolarHBondContact OE1-NH2 3.37Å
189	Q	95.3	Very high	93.7	Very high	24 Å²	24	53 Å²	53	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-48.7	179.6	-62.9	175.8	-59.6	0	0	111.1	H35 L175 T177 D178 K191 H192 F193 W205	H35-Q189 PolarHBondContact NE2-O 2.89Å; L175-Q189 PolarHBondContact O-NE2 2.9Å; T177-Q189 PolarHBondContact OG1-OE1 2.86Å; D178-Q189 WeakPolarHBondContact OD1-CB 3.18Å; D178-Q189 WeakPolarHBondContact OD1-CG 3.49Å; D178-Q189 PolarHBondContact OD1-N 2.88Å; D178-Q189 PolarHBondContact OD1-OE1 2.82Å; D178-Q189 PolarHBondContact OD2-N 2.91Å; Q189-K191 PolarHBondContact O-N 2.61Å; Q189-H192 PolarHBondContact O-N 3.09Å; Q189-F193 HydrophobicContact CG-CD2 4.5Å; Q189-F193 WeakPolarHBondContact O-CB 3.25Å; Q189-F193 PolarHBondContact O-N 3.03Å; Q189-W205 VanDerWaalsContact NE2-NE1 3.12Å
190	A	95.8	Very high	93.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-35.8	178	0	0	0	0	0	113.4	H35 P36 Q142 D178 V185	H35-A190 WeakPolarHBondContact NE2-CA 3.26Å; P36-A190 HydrophobicContact CG-CB 4.43Å; Q142-A190 PolarHBondContact NE2-O 3.32Å; D178-A190 WeakPolarHBondContact OD2-CB 3.35Å; D178-A190 PolarHBondContact OD2-N 3.21Å; V185-A190 WeakPolarHBondContact O-CB 3.26Å
191	K	94.9	Very high	93	Very high	78 Å²	78	56 Å²	56	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-83.5	-34.9	-179.4	-74.1	172.9	175.8	151.9	0	113.5	S139 N186 G187 E188 Q189	S139-K191 WeakPolarHBondContact CB-O 3.29Å; S139-K191 PolarHBondContact OG-O 3.3Å; N186-K191 WeakPolarHBondContact O-CE 3.34Å; N186-K191 PolarHBondContact O-NZ 3.29Å; N186-K191 VanDerWaalsContact OD1-CG 3.31Å; N186-K191 WeakPolarHBondContact OD1-CG 3.47Å; G187-K191 WeakPolarHBondContact O-CB 3.42Å; G187-K191 VanDerWaalsContact O-CG 3.31Å; G187-K191 WeakPolarHBondContact O-CG 3.23Å; G187-K191 PolarHBondContact O-N 2.82Å; E188-K191 PolarHBondContact O-N 2.76Å; Q189-K191 PolarHBondContact O-N 2.61Å
192	H	94.3	Very high	93	Very high	56 Å²	56	51.3 Å²	51.3	26%	0.259	25%	0.254	S	S	.	.	H	α-helix	trans	-125	-5.5	-163.9	-62.2	-65.2	0	0	0	115.4	M141 E188 Q189 R207	M141-H192 WeakPolarHBondContact CG-O 3.48Å; E188-H192 WeakPolarHBondContact O-CB 3.19Å; E188-H192 PolarHBondContact O-N 3.43Å; E188-H192 IonicContact OE1-CD2 2.79Å; E188-H192 IonicContact OE2-CD2 2.89Å; E188-H192 PolarHBondContact OE2-CD2 2.93Å; E188-H192 IonicContact OE2-NE2 2.72Å; Q189-H192 PolarHBondContact O-N 3.09Å; H192-R207 HydrophobicContact CB-CG 4.43Å
193	F	94.9	Very high	93.1	Very high	40 Å²	40	47.6 Å²	47.6	18%	0.175	24%	0.238	C	C	.	.			trans	-122.2	153.7	-175.2	-66.6	-106.6	0	0	0	112.2	E188 Q189 W205 Y206 R207	E188-F193 HydrophobicContact CG-CE2 4.08Å; Q189-F193 HydrophobicContact CG-CD2 4.5Å; Q189-F193 WeakPolarHBondContact O-CB 3.25Å; Q189-F193 PolarHBondContact O-N 3.03Å; F193-W205 HydrophobicContact CB-CD2 4.26Å; F193-W205 HydrophobicContact CB-CE3 3.58Å; F193-W205 HydrophobicContact CB-CZ3 4.06Å; F193-W205 HydrophobicContact CD1-CB 3.87Å; F193-W205 HydrophobicContact CE1-CB 4.48Å; F193-Y206 WeakPolarHBondContact CA-O 3.48Å; F193-R207 HydrophobicContact CD1-CB 3.72Å; F193-R207 HydrophobicContact CD1-CG 4.13Å; F193-R207 HydrophobicContact CD2-CG 4.13Å; F193-R207 HydrophobicContact CE1-CB 3.48Å; F193-R207 VanDerWaalsContact CE1-CB 3.48Å; F193-R207 HydrophobicContact CE1-CG 3.84Å; F193-R207 HydrophobicContact CE2-CB 4.35Å; F193-R207 HydrophobicContact CE2-CG 3.76Å; F193-R207 HydrophobicContact CG-CB 4.35Å; F193-R207 HydrophobicContact CG-CG 4.33Å; F193-R207 HydrophobicContact CZ-CB 3.82Å; F193-R207 HydrophobicContact CZ-CG 3.64Å
194	A	95.8	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.5	166.8	0	0	0	0	0	108.1	R149 Y150 I196 W205 Y206	R149-A194 HydrophobicContact CB-CB 4.21Å; Y150-A194 HydrophobicContact CD1-CB 4.34Å; Y150-A194 HydrophobicContact CE1-CB 4.21Å; A194-I196 HydrophobicContact CB-CG2 4.15Å; A194-W205 VanDerWaalsContact C-CE3 3.47Å; A194-Y206 PolarHBondContact N-O 3.02Å; A194-Y206 VanDerWaalsContact N-O 3.16Å; A194-Y206 PolarHBondContact O-N 2.94Å
195	C	96	Very high	93.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.6	174.8	179.9	0	0	0	0	107.7	Q37 G153 C156 I158 C174 W205	Q37-C195 PolarHBondContact NE2-O 3.08Å; Q37-C195 PolarHBondContact OE1-O 3.32Å; G153-C195 WeakPolarHBondContact CA-O 3.04Å; C156-C195 HydrophobicContact CB-CB 4.42Å; C156-C195 WeakPolarHBondContact CB-SG 3.44Å; I158-C195 HydrophobicContact CD1-CB 3.98Å; I158-C195 HydrophobicContact CG1-CB 3.75Å; C174-C195 HydrophobicContact CB-CB 3.61Å; C174-C195 WeakPolarHBondContact CB-SG 3.39Å; C174-C195 WeakPolarHBondContact SG-CB 3.4Å; C174-C195 CovalentContact SG-SG 2.02Å; C174-C195 PolarHBondContact SG-SG 3.24Å; C195-W205 HydrophobicContact CB-CE3 4.02Å; C195-W205 HydrophobicContact CB-CH2 4.33Å; C195-W205 HydrophobicContact CB-CZ3 3.9Å
196	I	93.6	Very high	93.1	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.9	-173.1	61.9	170.4	0	0	0	111.1	C156 A194 C203 A204 Y206 P212 F216	C156-I196 VanDerWaalsContact SG-C 3.54Å; A194-I196 HydrophobicContact CB-CG2 4.15Å; I196-C203 WeakPolarHBondContact O-CA 3.42Å; I196-A204 PolarHBondContact N-O 3.2Å; I196-A204 PolarHBondContact O-N 3.27Å; I196-Y206 VanDerWaalsContact CD1-CB 3.4Å; I196-Y206 HydrophobicContact CD1-CD1 3.92Å; I196-Y206 HydrophobicContact CD1-CD2 4.07Å; I196-Y206 HydrophobicContact CD1-CG 3.54Å; I196-Y206 HydrophobicContact CG1-CG 4.32Å; I196-P212 HydrophobicContact CD1-CB 4.11Å; I196-P212 HydrophobicContact CD1-CG 3.3Å; I196-F216 HydrophobicContact CD1-CD1 4.06Å; I196-F216 HydrophobicContact CD1-CE1 3.58Å; I196-F216 HydrophobicContact CG1-CE1 3.84Å
197	K	92.3	Very high	92.6	Very high	76 Å²	76	44.8 Å²	44.8	33%	0.33	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.3	176.1	-166.8	176.4	179.1	-173.8	0	110.2	D155 C156 D201 S202	D155-K197 HydrophobicContact CB-CD 4.35Å; C156-K197 PolarHBondContact SG-N 2.81Å; C156-K197 VanDerWaalsContact SG-N 3.38Å; K197-D201 WeakPolarHBondContact CE-OD1 3.35Å; K197-D201 IonicContact NZ-OD1 3.58Å; K197-D201 PolarHBondContact NZ-OD1 2.92Å; K197-S202 CarbonylContact C-O 3.55Å; K197-S202 WeakPolarHBondContact CA-O 3.46Å
198	R	89.7	Confident	91.1	Very high	35 Å²	35	45.3 Å²	45.3	13%	0.132	22%	0.218	C	C	.	.			trans	-96.1	174.9	175.6	-66.2	179.9	66.9	108	5.8	110.4	D200 D201 S202 F216	R198-D200 VanDerWaalsContact C-N 3.25Å; R198-D200 WeakPolarHBondContact CB-OD1 3.4Å; R198-D200 PolarHBondContact O-N 3Å; R198-D201 PolarHBondContact O-N 2.98Å; R198-S202 WeakPolarHBondContact CD-OG 3.01Å; R198-S202 PolarHBondContact N-O 3.29Å; R198-F216 HydrophobicContact CG-CE1 4.37Å; R198-F216 PolarHBondContact NE-O 3.45Å; R198-F216 PolarHBondContact NH1-O 3.43Å; R198-F216 PolarHBondContact NH2-O 3.42Å
199	N	87.6	Confident	89.2	Confident	100 Å²	100	45.9 Å²	45.9	54%	0.535	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.1	-177	-72.7	-13.9	0	0	0	113.4	D201 L217 D218	N199-D201 PolarHBondContact O-N 3.5Å; N199-L217 PolarHBondContact N-O 2.89Å; N199-L217 WeakPolarHBondContact ND2-CB 3.28Å; N199-D218 PolarHBondContact ND2-OD1 3.48Å
200	D	87.4	Confident	87.4	Confident	81 Å²	81	48.5 Å²	48.5	43%	0.433	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.9	176.1	68.8	-23.9	0	0	0	113.1	R198 S202 I219	R198-D200 VanDerWaalsContact C-N 3.25Å; R198-D200 WeakPolarHBondContact CB-OD1 3.4Å; R198-D200 PolarHBondContact O-N 3Å; D200-S202 PolarHBondContact O-N 3.36Å; D200-S202 VanDerWaalsContact O-N 3.09Å; D200-S202 WeakPolarHBondContact OD1-CB 3.3Å; D200-S202 PolarHBondContact OD1-N 2.91Å; D200-S202 VanDerWaalsContact OD1-N 3.15Å; D200-S202 PolarHBondContact OD1-OG 3.28Å; D200-S202 PolarHBondContact OD2-OG 3.47Å; D200-S202 VanDerWaalsContact OD2-OG 3.09Å; D200-I219 WeakPolarHBondContact OD2-CD1 3.45Å
201	D	87.3	Confident	85.6	Confident	98 Å²	98	52.3 Å²	52.3	52%	0.524	27%	0.272	S	S	.	.	S	Bend	trans	62.2	4.2	-173.4	-67.3	-51.9	0	0	0	115.6	K197 R198 N199	K197-D201 WeakPolarHBondContact CE-OD1 3.35Å; K197-D201 IonicContact NZ-OD1 3.58Å; K197-D201 PolarHBondContact NZ-OD1 2.92Å; R198-D201 PolarHBondContact O-N 2.98Å; N199-D201 PolarHBondContact O-N 3.5Å
202	S	93.6	Very high	83.9	Confident	18 Å²	18	50.3 Å²	50.3	13%	0.126	27%	0.267	C	S	.	.			trans	-78.6	163	173	75.9	0	0	0	0	112.1	P171 K197 R198 D200	P171-S202 CarbonylContact O-C 3.56Å; P171-S202 WeakPolarHBondContact O-CA 3.29Å; K197-S202 CarbonylContact C-O 3.55Å; K197-S202 WeakPolarHBondContact CA-O 3.46Å; R198-S202 WeakPolarHBondContact CD-OG 3.01Å; R198-S202 PolarHBondContact N-O 3.29Å; D200-S202 PolarHBondContact O-N 3.36Å; D200-S202 VanDerWaalsContact O-N 3.09Å; D200-S202 WeakPolarHBondContact OD1-CB 3.3Å; D200-S202 PolarHBondContact OD1-N 2.91Å; D200-S202 VanDerWaalsContact OD1-N 3.15Å; D200-S202 PolarHBondContact OD1-OG 3.28Å; D200-S202 PolarHBondContact OD2-OG 3.47Å; D200-S202 VanDerWaalsContact OD2-OG 3.09Å
203	C	95.3	Very high	82.4	Confident	11 Å²	11	56 Å²	56	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.7	178.9	-67.4	0	0	0	0	110.6	C156 P171 T172 I196	C156-C203 WeakPolarHBondContact CA-SG 3.41Å; C156-C203 HydrophobicContact CB-CB 3.65Å; C156-C203 WeakPolarHBondContact CB-SG 3.01Å; C156-C203 WeakPolarHBondContact SG-CB 3.35Å; C156-C203 CovalentContact SG-SG 2.03Å; C156-C203 PolarHBondContact SG-SG 3.3Å; P171-C203 PolarHBondContact O-N 2.03Å; T172-C203 PolarHBondContact O-SG 2.93Å; I196-C203 WeakPolarHBondContact O-CA 3.42Å
204	A	94.2	Very high	80.8	Confident	27 Å²	27	62.1 Å²	62.1	22%	0.223	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.4	-179.8	0	0	0	0	0	112.1	C174 I196 Y206 F216	C174-A204 VanDerWaalsContact SG-C 3.57Å; I196-A204 PolarHBondContact N-O 3.2Å; I196-A204 PolarHBondContact O-N 3.27Å; A204-Y206 PolarHBondContact O-N 2.97Å; A204-F216 HydrophobicContact CB-CZ 3.98Å
205	W	94.4	Very high	79.1	Confident	49 Å²	49	66.5 Å²	66.5	19%	0.186	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.3	172.6	-77.6	124.9	0	0	0	111	H35 I158 C174 L175 W176 Q189 F193 A194 C195	H35-W205 AromaticContact CD2-CH2 3.79Å; H35-W205 AromaticContact CE1-CZ3 3.91Å; H35-W205 AromaticContact NE2-CH2 3.63Å; H35-W205 AromaticContact NE2-CZ3 3.7Å; I158-W205 HydrophobicContact CD1-CH2 3.97Å; I158-W205 HydrophobicContact CD1-CZ3 4.41Å; I158-W205 HydrophobicContact CG1-CH2 4.23Å; I158-W205 HydrophobicContact CG2-CH2 4.07Å; I158-W205 HydrophobicContact CG2-CZ2 4.13Å; C174-W205 HydrophobicContact CB-CD2 4.02Å; C174-W205 HydrophobicContact CB-CG 4.38Å; C174-W205 HydrophobicContact CB-CZ2 3.89Å; L175-W205 PolarHBondContact O-NE1 2.02Å; W176-W205 HydrophobicContact CB-CZ2 4.12Å; Q189-W205 VanDerWaalsContact NE2-NE1 3.12Å; F193-W205 HydrophobicContact CB-CD2 4.26Å; F193-W205 HydrophobicContact CB-CE3 3.58Å; F193-W205 HydrophobicContact CB-CZ3 4.06Å; F193-W205 HydrophobicContact CD1-CB 3.87Å; F193-W205 HydrophobicContact CE1-CB 4.48Å; A194-W205 VanDerWaalsContact C-CE3 3.47Å; C195-W205 HydrophobicContact CB-CE3 4.02Å; C195-W205 HydrophobicContact CB-CH2 4.33Å; C195-W205 HydrophobicContact CB-CZ3 3.9Å
206	Y	90.4	Very high	77.4	Confident	23 Å²	23	68.7 Å²	68.7	9%	0.09	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.6	178.6	-176.2	-106.5	0	0	0	111.9	F193 A194 I196 A204 G208 V210 P211 P212 F216	F193-Y206 WeakPolarHBondContact CA-O 3.48Å; A194-Y206 PolarHBondContact N-O 3.02Å; A194-Y206 VanDerWaalsContact N-O 3.16Å; A194-Y206 PolarHBondContact O-N 2.94Å; I196-Y206 VanDerWaalsContact CD1-CB 3.4Å; I196-Y206 HydrophobicContact CD1-CD1 3.92Å; I196-Y206 HydrophobicContact CD1-CD2 4.07Å; I196-Y206 HydrophobicContact CD1-CG 3.54Å; I196-Y206 HydrophobicContact CG1-CG 4.32Å; A204-Y206 PolarHBondContact O-N 2.97Å; Y206-G208 VanDerWaalsContact CE1-N 3.3Å; Y206-G208 VanDerWaalsContact CZ-CA 3.45Å; Y206-G208 WeakPolarHBondContact OH-CA 3.43Å; Y206-V210 WeakPolarHBondContact CE1-O 3.49Å; Y206-V210 PolarHBondContact OH-O 3.41Å; Y206-P211 PolarHBondContact OH-O 3.01Å; Y206-P212 HydrophobicContact CD1-CG 4.21Å; Y206-P212 HydrophobicContact CD2-CG 4.49Å; Y206-P212 HydrophobicContact CE1-CG 3.93Å; Y206-P212 HydrophobicContact CE2-CB 4.05Å; Y206-P212 HydrophobicContact CE2-CG 4.25Å; Y206-P212 HydrophobicContact CG-CG 4.48Å; Y206-P212 WeakPolarHBondContact OH-CA 3.39Å; Y206-F216 AromaticContact CD2-CD1 3.6Å; Y206-F216 HydrophobicContact CD2-CD1 3.6Å; Y206-F216 AromaticContact CD2-CD2 3.84Å; Y206-F216 HydrophobicContact CD2-CD2 3.84Å; Y206-F216 AromaticContact CD2-CE1 3.58Å; Y206-F216 HydrophobicContact CD2-CE1 3.58Å; Y206-F216 AromaticContact CD2-CE2 3.78Å; Y206-F216 HydrophobicContact CD2-CE2 3.78Å; Y206-F216 AromaticContact CD2-CG 3.75Å; Y206-F216 HydrophobicContact CD2-CG 3.75Å; Y206-F216 AromaticContact CD2-CZ 3.66Å; Y206-F216 HydrophobicContact CD2-CZ 3.66Å; Y206-F216 HydrophobicContact CE2-CB 4.37Å; Y206-F216 AromaticContact CE2-CD1 4Å; Y206-F216 HydrophobicContact CE2-CD1 4Å; Y206-F216 HydrophobicContact CE2-CD2 4.18Å; Y206-F216 HydrophobicContact CE2-CE1 4.43Å; Y206-F216 AromaticContact CE2-CG 3.88Å; Y206-F216 HydrophobicContact CE2-CG 3.88Å; Y206-F216 HydrophobicContact CG-CD1 4.47Å; Y206-F216 HydrophobicContact CG-CE1 4.15Å; Y206-F216 HydrophobicContact CG-CZ 4.26Å
207	R	82.9	Confident	76.1	Confident	146 Å²	146	70 Å²	70	55%	0.551	35%	0.353	S	S	*	.			trans	-113.1	28.2	-179.5	-154.6	-162.4	176.7	160.7	2.9	112.9	E188 H192 F193	E188-R207 IonicContact OE1-CZ 3.8Å; E188-R207 IonicContact OE1-NH1 3.7Å; E188-R207 IonicContact OE1-NH2 2.61Å; E188-R207 PolarHBondContact OE1-NH2 3.37Å; H192-R207 HydrophobicContact CB-CG 4.43Å; F193-R207 HydrophobicContact CD1-CB 3.72Å; F193-R207 HydrophobicContact CD1-CG 4.13Å; F193-R207 HydrophobicContact CD2-CG 4.13Å; F193-R207 HydrophobicContact CE1-CB 3.48Å; F193-R207 VanDerWaalsContact CE1-CB 3.48Å; F193-R207 HydrophobicContact CE1-CG 3.84Å; F193-R207 HydrophobicContact CE2-CB 4.35Å; F193-R207 HydrophobicContact CE2-CG 3.76Å; F193-R207 HydrophobicContact CG-CB 4.35Å; F193-R207 HydrophobicContact CG-CG 4.33Å; F193-R207 HydrophobicContact CZ-CB 3.82Å; F193-R207 HydrophobicContact CZ-CG 3.64Å
208	G	63.9	Low	74.6	Confident	13 Å²	13	69.8 Å²	69.8	13%	0.134	36%	0.355	C	S	.	.			trans	-80.1	147.9	179.3	0	0	0	0	0	111.6	M141 R149 Y206 V210	M141-G208 WeakPolarHBondContact CE-O 3.46Å; M141-G208 VanDerWaalsContact SD-O 3.36Å; R149-G208 PolarHBondContact NH1-O 3.44Å; R149-G208 PolarHBondContact NH2-O 2.93Å; Y206-G208 VanDerWaalsContact CE1-N 3.3Å; Y206-G208 VanDerWaalsContact CZ-CA 3.45Å; Y206-G208 WeakPolarHBondContact OH-CA 3.43Å; G208-V210 VanDerWaalsContact C-N 3.28Å
209	S	54.3	Low	73	Confident	80 Å²	80	72.7 Å²	72.7	56%	0.559	37%	0.373	S	S	*	.	S	Bend	trans	-86.4	-5.2	159.5	57.4	0	0	0	0	111.8	K144	K144-S209 WeakPolarHBondContact CE-O 3.4Å; K144-S209 PolarHBondContact NZ-O 3.48Å
210	V	56	Low	71	Confident	79 Å²	79	76 Å²	76	48%	0.479	39%	0.385	S	S	.	.	S	Bend	trans	-112.7	159.4	-178.8	-177.3	0	0	0	0	107.7	R149 Y206 G208	R149-V210 PolarHBondContact NH2-O 2.93Å; Y206-V210 WeakPolarHBondContact CE1-O 3.49Å; Y206-V210 PolarHBondContact OH-O 3.41Å; G208-V210 VanDerWaalsContact C-N 3.28Å
211	P	58.8	Low	68.5	Low	81 Å²	81	78.6 Å²	78.6	53%	0.526	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-51.7	147.1	165.1	-28.1	36.5	0	0	0	111	Y206 R213	Y206-P211 PolarHBondContact OH-O 3.01Å; P211-R213 PolarHBondContact O-N 3.4Å
212	P	58.6	Low	66.4	Low	36 Å²	36	83 Å²	83	23%	0.234	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-52.1	125.6	174.3	-20.3	30.8	0	0	0	109.4	I196 Y206 F216 L217	I196-P212 HydrophobicContact CD1-CB 4.11Å; I196-P212 HydrophobicContact CD1-CG 3.3Å; Y206-P212 HydrophobicContact CD1-CG 4.21Å; Y206-P212 HydrophobicContact CD2-CG 4.49Å; Y206-P212 HydrophobicContact CE1-CG 3.93Å; Y206-P212 HydrophobicContact CE2-CB 4.05Å; Y206-P212 HydrophobicContact CE2-CG 4.25Å; Y206-P212 HydrophobicContact CG-CG 4.48Å; Y206-P212 WeakPolarHBondContact OH-CA 3.39Å; P212-F216 HydrophobicContact CB-CB 4.37Å; P212-F216 HydrophobicContact CB-CD1 3.89Å; P212-F216 HydrophobicContact CB-CG 4.49Å; P212-L217 HydrophobicContact CB-CD1 4.24Å; P212-L217 HydrophobicContact CB-CD2 3.81Å; P212-L217 HydrophobicContact CB-CG 3.88Å; P212-L217 HydrophobicContact CG-CD2 4.38Å
213	R	63.4	Low	65	Low	175 Å²	175	86.3 Å²	86.3	66%	0.66	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-72.3	161	173.1	-63.3	-177.5	176.3	-174.5	-1.2	108.7	P211 D215 F216 L217	P211-R213 PolarHBondContact O-N 3.4Å; R213-D215 WeakPolarHBondContact CB-OD1 3.42Å; R213-D215 PolarHBondContact O-N 3.4Å; R213-F216 PolarHBondContact O-N 3.11Å; R213-L217 PolarHBondContact O-N 3.48Å
214	K	60.9	Low	63.4	Low	168 Å²	168	90.2 Å²	90.2	73%	0.73	47%	0.468	S	S	*	.	H	α-helix	trans	-53.3	-38.8	-179.1	-76.2	-172.4	176.1	-176.5	0	112.3	F216 L217 D218	K214-F216 VanDerWaalsContact C-N 3.29Å; K214-F216 PolarHBondContact O-N 3.06Å; K214-L217 CarbonylContact O-C 3.36Å; K214-L217 WeakPolarHBondContact O-CA 3.24Å; K214-L217 PolarHBondContact O-N 3.47Å; K214-D218 VanDerWaalsContact O-CB 3.29Å; K214-D218 WeakPolarHBondContact O-CB 3.29Å; K214-D218 PolarHBondContact O-N 3.21Å
215	D	59.8	Low	61.7	Low	93 Å²	93	93.7 Å²	93.7	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-25	174.3	51.8	-60.8	0	0	0	115.3	R213 D218	R213-D215 WeakPolarHBondContact CB-OD1 3.42Å; R213-D215 PolarHBondContact O-N 3.4Å; D215-D218 CarbonylContact C-O 3.57Å
216	F	61.3	Low	59.8	Low	45 Å²	45	96.4 Å²	96.4	20%	0.197	50%	0.498	C	S	.	.	H	α-helix	trans	-85.5	-17.8	169.2	-175.3	-87.7	0	0	0	111.9	I196 R198 A204 Y206 P212 R213 K214	I196-F216 HydrophobicContact CD1-CD1 4.06Å; I196-F216 HydrophobicContact CD1-CE1 3.58Å; I196-F216 HydrophobicContact CG1-CE1 3.84Å; R198-F216 HydrophobicContact CG-CE1 4.37Å; R198-F216 PolarHBondContact NE-O 3.45Å; R198-F216 PolarHBondContact NH1-O 3.43Å; R198-F216 PolarHBondContact NH2-O 3.42Å; A204-F216 HydrophobicContact CB-CZ 3.98Å; Y206-F216 AromaticContact CD2-CD1 3.6Å; Y206-F216 HydrophobicContact CD2-CD1 3.6Å; Y206-F216 AromaticContact CD2-CD2 3.84Å; Y206-F216 HydrophobicContact CD2-CD2 3.84Å; Y206-F216 AromaticContact CD2-CE1 3.58Å; Y206-F216 HydrophobicContact CD2-CE1 3.58Å; Y206-F216 AromaticContact CD2-CE2 3.78Å; Y206-F216 HydrophobicContact CD2-CE2 3.78Å; Y206-F216 AromaticContact CD2-CG 3.75Å; Y206-F216 HydrophobicContact CD2-CG 3.75Å; Y206-F216 AromaticContact CD2-CZ 3.66Å; Y206-F216 HydrophobicContact CD2-CZ 3.66Å; Y206-F216 HydrophobicContact CE2-CB 4.37Å; Y206-F216 AromaticContact CE2-CD1 4Å; Y206-F216 HydrophobicContact CE2-CD1 4Å; Y206-F216 HydrophobicContact CE2-CD2 4.18Å; Y206-F216 HydrophobicContact CE2-CE1 4.43Å; Y206-F216 AromaticContact CE2-CG 3.88Å; Y206-F216 HydrophobicContact CE2-CG 3.88Å; Y206-F216 HydrophobicContact CG-CD1 4.47Å; Y206-F216 HydrophobicContact CG-CE1 4.15Å; Y206-F216 HydrophobicContact CG-CZ 4.26Å; P212-F216 HydrophobicContact CB-CB 4.37Å; P212-F216 HydrophobicContact CB-CD1 3.89Å; P212-F216 HydrophobicContact CB-CG 4.49Å; R213-F216 PolarHBondContact O-N 3.11Å; K214-F216 VanDerWaalsContact C-N 3.29Å; K214-F216 PolarHBondContact O-N 3.06Å
217	L	66.4	Low	57.9	Low	37 Å²	37	100.9 Å²	100.9	19%	0.194	52%	0.524	C	S	.	.	H	α-helix	trans	-94.7	-40.8	-179	-64.7	172.3	0	0	0	111.1	N199 P212 R213 K214	N199-L217 PolarHBondContact N-O 2.89Å; N199-L217 WeakPolarHBondContact ND2-CB 3.28Å; P212-L217 HydrophobicContact CB-CD1 4.24Å; P212-L217 HydrophobicContact CB-CD2 3.81Å; P212-L217 HydrophobicContact CB-CG 3.88Å; P212-L217 HydrophobicContact CG-CD2 4.38Å; R213-L217 PolarHBondContact O-N 3.48Å; K214-L217 CarbonylContact O-C 3.36Å; K214-L217 WeakPolarHBondContact O-CA 3.24Å; K214-L217 PolarHBondContact O-N 3.47Å
218	D	59.7	Low	56.2	Low	70 Å²	70	97.9 Å²	97.9	37%	0.374	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	112.9	172.7	-54	-44.6	0	0	0	105.8	N199 K214 D215 E220	N199-D218 PolarHBondContact ND2-OD1 3.48Å; K214-D218 VanDerWaalsContact O-CB 3.29Å; K214-D218 WeakPolarHBondContact O-CB 3.29Å; K214-D218 PolarHBondContact O-N 3.21Å; D215-D218 CarbonylContact C-O 3.57Å; D218-E220 VanDerWaalsContact C-N 3.35Å; D218-E220 PolarHBondContact O-N 3.43Å
219	I	57.3	Low	55.7	Low	97 Å²	97	104 Å²	104	50%	0.497	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	99.3	172.8	-61.4	166.6	0	0	0	107.2	D200 D221	D200-I219 WeakPolarHBondContact OD2-CD1 3.45Å; I219-D221 VanDerWaalsContact C-N 3.29Å; I219-D221 HydrophobicContact CG2-CB 4.13Å; I219-D221 PolarHBondContact O-N 3.47Å
220	E	44.7	Very low	55.8	Low	170 Å²	170	105.8 Å²	105.8	79%	0.794	55%	0.549	S	S	*	.			trans	-81.1	91.7	151	-79.8	-172.5	168.4	0	0	105.7	D218	D218-E220 VanDerWaalsContact C-N 3.35Å; D218-E220 PolarHBondContact O-N 3.43Å
221	D	35.5	Very low	55.8	Low	135 Å²	135	108.1 Å²	108.1	72%	0.722	56%	0.555	S	S	*	*			trans	-57.3	132.5	164.6	-140.3	0.7	0	0	0	107	I219	I219-D221 VanDerWaalsContact C-N 3.29Å; I219-D221 HydrophobicContact CG2-CB 4.13Å; I219-D221 PolarHBondContact O-N 3.47Å
222	P	43	Very low	55.5	Low	190 Å²	190	110.5 Å²	110.5	100%	1.234	56%	0.558	S	S	*	*			trans	-61.8	0	170.6	25.3	-32.7	0	0	0	113

Retrieved 222 of 222 residues in 79.7 ms (Link to these results)

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