A0A087XZB8_POEFO Loading...

Stromal cell-derived factor 2

AlphaFold DB , UniProt , Accession A0A087XZB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 214 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.3	Very low	55.3	Low	233 Å²	233	116.6 Å²	116.6	100%	1.148	65%	0.645	S	S	*	*				0	101.8	0	-78.1	175	173.8	0	0	106.4	T3	M1-T3 PolarHBondContact O-N 3.27Å
2	D	50.2	Low	55.6	Low	130 Å²	130	117.9 Å²	117.9	70%	0.695	64%	0.639	S	S	*	*			trans	-71.4	110.6	-163.5	-77.3	-43.4	0	0	0	113.2	S4	D2-S4 PolarHBondContact O-N 3.48Å
3	T	53.7	Low	55.9	Low	116 Å²	116	115.5 Å²	115.5	71%	0.712	63%	0.625	S	S	*	*	H	α-helix	trans	-68.7	-18.1	177.8	49	0	0	0	0	113.4	M1	M1-T3 PolarHBondContact O-N 3.27Å
4	S	56.2	Low	56	Low	73 Å²	73	116.3 Å²	116.3	51%	0.51	63%	0.628	S	S	.	*	H	α-helix	trans	-69.5	-34.6	-179.7	-173.3	0	0	0	0	113.4	D2 C6 N8	D2-S4 PolarHBondContact O-N 3.48Å; S4-C6 VanDerWaalsContact C-N 3.35Å; S4-C6 PolarHBondContact O-N 3.34Å; S4-N8 PolarHBondContact O-N 3.18Å; S4-N8 PolarHBondContact O-ND2 3.46Å
5	N	54.1	Low	56.1	Low	115 Å²	115	121.3 Å²	121.3	62%	0.615	63%	0.634	S	S	*	*	H	α-helix	trans	-73.4	-27.2	-179.8	-74.9	-30.9	0	0	0	112.8	F9	N5-F9 WeakPolarHBondContact O-CB 3.47Å; N5-F9 PolarHBondContact O-N 3.02Å
6	C	54.3	Low	56.2	Low	85 Å²	85	118.2 Å²	118.2	57%	0.574	62%	0.617	S	S	*	*	H	α-helix	trans	-74.3	-41.4	-179.9	-160	0	0	0	0	112.1	S4 N8 F9 L10	S4-C6 VanDerWaalsContact C-N 3.35Å; S4-C6 PolarHBondContact O-N 3.34Å; C6-N8 PolarHBondContact O-N 3.07Å; C6-F9 PolarHBondContact O-N 3.33Å; C6-L10 PolarHBondContact O-N 3.23Å
7	L	57.3	Low	56.1	Low	130 Å²	130	120.9 Å²	120.9	68%	0.681	62%	0.624	S	S	*	*	H	α-helix	trans	-64.6	-39	177.4	-82.5	151.9	0	0	0	112.6	G11	L7-G11 PolarHBondContact O-N 3.03Å; L7-G11 VanDerWaalsContact O-N 3.07Å
8	N	57.3	Low	56.2	Low	111 Å²	111	119.1 Å²	119.1	59%	0.594	62%	0.618	S	S	*	*	H	α-helix	trans	-69.5	-36.2	176.4	-74.2	-37.7	0	0	0	112.5	S4 C6 F12	S4-N8 PolarHBondContact O-N 3.18Å; S4-N8 PolarHBondContact O-ND2 3.46Å; C6-N8 PolarHBondContact O-N 3.07Å; N8-F12 WeakPolarHBondContact O-CB 3.47Å; N8-F12 PolarHBondContact O-N 3.49Å
9	F	58.7	Low	56	Low	137 Å²	137	119.3 Å²	119.3	60%	0.601	62%	0.62	S	S	*	*	H	α-helix	trans	-69.7	-40.7	177.3	-155.6	-101.4	0	0	0	112	N5 C6 F12 L13	N5-F9 WeakPolarHBondContact O-CB 3.47Å; N5-F9 PolarHBondContact O-N 3.02Å; C6-F9 PolarHBondContact O-N 3.33Å; F9-F12 PolarHBondContact O-N 3.47Å; F9-L13 HydrophobicContact CD1-CD1 3.86Å; F9-L13 HydrophobicContact CD1-CG 4.44Å; F9-L13 HydrophobicContact CE1-CD1 3.89Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 WeakPolarHBondContact O-CG 3.45Å; F9-L13 PolarHBondContact O-N 3.04Å; F9-L13 VanDerWaalsContact O-N 3.07Å
10	L	59.1	Low	55.8	Low	121 Å²	121	119.1 Å²	119.1	63%	0.634	62%	0.619	S	S	*	*	H	α-helix	trans	-64.8	-40.3	175.4	-137.9	80.2	0	0	0	111.9	C6 L13 L14	C6-L10 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 3.5Å; L10-L14 WeakPolarHBondContact O-CB 3.43Å; L10-L14 PolarHBondContact O-N 3.07Å
11	G	58.8	Low	55.6	Low	32 Å²	32	117 Å²	117	33%	0.33	61%	0.614	S	S	.	*	H	α-helix	trans	-66.8	-33.3	175.7	0	0	0	0	0	113.6	L7 R15	L7-G11 PolarHBondContact O-N 3.03Å; L7-G11 VanDerWaalsContact O-N 3.07Å; G11-R15 WeakPolarHBondContact O-CG 3.38Å; G11-R15 PolarHBondContact O-N 3.34Å
12	F	59.5	Low	55.7	Low	132 Å²	132	110.9 Å²	110.9	58%	0.579	60%	0.595	S	S	*	*	H	α-helix	trans	-69.7	-43.8	175.1	-171.7	-103.5	0	0	0	111.9	N8 F9 L14 R15 I16	N8-F12 WeakPolarHBondContact O-CB 3.47Å; N8-F12 PolarHBondContact O-N 3.49Å; F9-F12 PolarHBondContact O-N 3.47Å; F12-L14 PolarHBondContact O-N 3.01Å; F12-R15 PolarHBondContact O-N 2.99Å; F12-I16 HydrophobicContact CD1-CD1 3.76Å; F12-I16 HydrophobicContact CE1-CD1 3.38Å; F12-I16 HydrophobicContact CE1-CG1 4.42Å; F12-I16 HydrophobicContact CZ-CD1 3.94Å; F12-I16 PolarHBondContact O-N 3.2Å; F12-I16 VanDerWaalsContact O-N 3.1Å
13	L	58.9	Low	55.8	Low	87 Å²	87	111.1 Å²	111.1	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-63.7	-39.5	175.6	-70.4	171.5	0	0	0	112.2	F9 L10 R15 I16 F17	F9-L13 HydrophobicContact CD1-CD1 3.86Å; F9-L13 HydrophobicContact CD1-CG 4.44Å; F9-L13 HydrophobicContact CE1-CD1 3.89Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 WeakPolarHBondContact O-CG 3.45Å; F9-L13 PolarHBondContact O-N 3.04Å; F9-L13 VanDerWaalsContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 3.5Å; L13-R15 VanDerWaalsContact C-N 3.35Å; L13-R15 PolarHBondContact O-N 3.03Å; L13-I16 PolarHBondContact O-N 3.33Å; L13-F17 PolarHBondContact O-N 3.47Å
14	L	58.2	Low	55.7	Low	126 Å²	126	111.4 Å²	111.4	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-64.7	-38	177.1	-154.4	82.2	0	0	0	111.9	L10 F12 F17 V18	L10-L14 WeakPolarHBondContact O-CB 3.43Å; L10-L14 PolarHBondContact O-N 3.07Å; F12-L14 PolarHBondContact O-N 3.01Å; L14-F17 PolarHBondContact O-N 3.34Å; L14-V18 WeakPolarHBondContact O-CG2 3.44Å; L14-V18 PolarHBondContact O-N 3.36Å
15	R	57.7	Low	55.4	Low	191 Å²	191	111.1 Å²	111.1	72%	0.721	61%	0.608	S	S	*	*	H	α-helix	trans	-69	-36.7	176.3	-74.4	-177.2	-177.5	-138.1	2.2	112.8	G11 F12 L13 F17 L19	G11-R15 WeakPolarHBondContact O-CG 3.38Å; G11-R15 PolarHBondContact O-N 3.34Å; F12-R15 PolarHBondContact O-N 2.99Å; L13-R15 VanDerWaalsContact C-N 3.35Å; L13-R15 PolarHBondContact O-N 3.03Å; R15-F17 VanDerWaalsContact C-N 3.34Å; R15-L19 WeakPolarHBondContact O-CB 3.33Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.32Å
16	I	57.6	Low	55	Low	72 Å²	72	113.3 Å²	113.3	37%	0.369	62%	0.619	S	S	.	*	H	α-helix	trans	-64.7	-40.7	172.5	-71.5	172.3	0	0	0	110.6	F12 L13 L19 L20	F12-I16 HydrophobicContact CD1-CD1 3.76Å; F12-I16 HydrophobicContact CE1-CD1 3.38Å; F12-I16 HydrophobicContact CE1-CG1 4.42Å; F12-I16 HydrophobicContact CZ-CD1 3.94Å; F12-I16 PolarHBondContact O-N 3.2Å; F12-I16 VanDerWaalsContact O-N 3.1Å; L13-I16 PolarHBondContact O-N 3.33Å; I16-L19 PolarHBondContact O-N 3.33Å; I16-L20 HydrophobicContact CG2-CD1 4.05Å; I16-L20 PolarHBondContact O-N 3.5Å
17	F	54.8	Low	54.7	Low	165 Å²	165	114.7 Å²	114.7	72%	0.724	63%	0.63	S	S	*	*	H	α-helix	trans	-66.9	-39.5	179.4	-144.1	-92.8	0	0	0	112.5	L13 L14 R15 L20 S21	L13-F17 PolarHBondContact O-N 3.47Å; L14-F17 PolarHBondContact O-N 3.34Å; R15-F17 VanDerWaalsContact C-N 3.34Å; F17-L20 PolarHBondContact O-N 3.1Å; F17-S21 WeakPolarHBondContact O-CB 3.44Å; F17-S21 PolarHBondContact O-N 3.43Å; F17-S21 PolarHBondContact O-OG 3.2Å
18	V	56.9	Low	54.3	Low	87 Å²	87	114.5 Å²	114.5	53%	0.527	63%	0.634	S	S	.	*	H	α-helix	trans	-67.5	-40.9	174.9	174.2	0	0	0	0	111.3	L14 S21 S22	L14-V18 WeakPolarHBondContact O-CG2 3.44Å; L14-V18 PolarHBondContact O-N 3.36Å; V18-S21 PolarHBondContact O-N 2.99Å; V18-S21 PolarHBondContact O-OG 3.47Å; V18-S22 PolarHBondContact O-N 2.92Å
19	L	53.4	Low	53.6	Low	124 Å²	124	111.9 Å²	111.9	65%	0.649	63%	0.633	S	S	*	*	H	α-helix	trans	-66.4	-36.1	175.8	-80	162.4	0	0	0	112.9	R15 I16	R15-L19 WeakPolarHBondContact O-CB 3.33Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.32Å; I16-L19 PolarHBondContact O-N 3.33Å
20	L	51.9	Low	53.1	Low	114 Å²	114	110 Å²	110	60%	0.597	64%	0.637	S	S	*	*	H	α-helix	trans	-70.5	-34.3	173.4	-105	81.9	0	0	0	112.5	I16 F17 S22 I23	I16-L20 HydrophobicContact CG2-CD1 4.05Å; I16-L20 PolarHBondContact O-N 3.5Å; F17-L20 PolarHBondContact O-N 3.1Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.39Å; L20-I23 PolarHBondContact O-N 2.76Å
21	S	51.5	Low	53.1	Low	75 Å²	75	111 Å²	111	52%	0.524	64%	0.638	S	S	.	*	H	α-helix	trans	-68.5	-23.3	179.3	72	0	0	0	0	113.5	F17 V18 I23	F17-S21 WeakPolarHBondContact O-CB 3.44Å; F17-S21 PolarHBondContact O-N 3.43Å; F17-S21 PolarHBondContact O-OG 3.2Å; V18-S21 PolarHBondContact O-N 2.99Å; V18-S21 PolarHBondContact O-OG 3.47Å; S21-I23 VanDerWaalsContact C-N 3.28Å; S21-I23 PolarHBondContact O-N 3.3Å
22	S	49.2	Very low	53.4	Low	105 Å²	105	112.4 Å²	112.4	73%	0.734	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-3.8	174	-80.7	0	0	0	0	114.6	V18 L20	V18-S22 PolarHBondContact O-N 2.92Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.39Å
23	I	53.8	Low	54.7	Low	135 Å²	135	108.8 Å²	108.8	69%	0.692	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-14.2	179.2	-60	172.7	0	0	0	111.8	L20 S21 G25	L20-I23 PolarHBondContact O-N 2.76Å; S21-I23 VanDerWaalsContact C-N 3.28Å; S21-I23 PolarHBondContact O-N 3.3Å; I23-G25 PolarHBondContact O-N 3.4Å
24	C	51.8	Low	56.4	Low	122 Å²	122	106.8 Å²	106.8	82%	0.824	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	74.6	179	-81.1	0	0	0	0	111.9
25	G	49.5	Very low	58.2	Low	67 Å²	67	100.8 Å²	100.8	69%	0.691	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.9	0.8	173.8	0	0	0	0	0	116	I23 S27	I23-G25 PolarHBondContact O-N 3.4Å; G25-S27 PolarHBondContact O-N 2.9Å; G25-S27 VanDerWaalsContact O-N 3.17Å
26	L	45.1	Very low	60	Low	162 Å²	162	91.8 Å²	91.8	85%	0.848	55%	0.551	S	S	*	*			trans	-86.9	81.8	170.6	-80.4	159	0	0	0	108.6	V28	L26-V28 PolarHBondContact O-N 3.17Å
27	S	48.8	Very low	61.9	Low	113 Å²	113	88.3 Å²	88.3	79%	0.79	53%	0.534	S	S	*	.			trans	-64.7	89.5	152.3	58.4	0	0	0	0	106.6	G25 G29	G25-S27 PolarHBondContact O-N 2.9Å; G25-S27 VanDerWaalsContact O-N 3.17Å; S27-G29 PolarHBondContact O-N 3.47Å
28	V	47	Very low	63.8	Low	127 Å²	127	81.5 Å²	81.5	77%	0.77	51%	0.51	S	S	*	.			trans	-65.4	84.8	159	-178.5	0	0	0	0	104.4	L26 S30	L26-V28 PolarHBondContact O-N 3.17Å; V28-S30 PolarHBondContact O-N 2.89Å
29	G	43.8	Very low	65.7	Low	55 Å²	55	77.4 Å²	77.4	57%	0.567	49%	0.485	S	S	*	.			trans	-51.5	117.2	164.2	0	0	0	0	0	104.9	S27 E31	S27-G29 PolarHBondContact O-N 3.47Å; G29-E31 PolarHBondContact O-N 3.15Å
30	S	48	Very low	67.8	Low	99 Å²	99	72.9 Å²	72.9	69%	0.692	46%	0.463	S	S	*	.			trans	-59.9	87.3	169.2	149.4	0	0	0	0	106.2	V28 L32	V28-S30 PolarHBondContact O-N 2.89Å; S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L32 PolarHBondContact O-N 2.88Å
31	E	58.9	Low	69.9	Low	140 Å²	140	67.4 Å²	67.4	65%	0.654	43%	0.434	S	S	*	.			trans	-49.2	101.4	164	-91.2	-106	173.1	0	0	105.8	G29 S33 R155	G29-E31 PolarHBondContact O-N 3.15Å; E31-S33 PolarHBondContact O-N 2.77Å; E31-R155 IonicContact OE2-CZ 3.26Å; E31-R155 VanDerWaalsContact OE2-CZ 3.26Å; E31-R155 IonicContact OE2-NH1 2.86Å; E31-R155 PolarHBondContact OE2-NH1 3.32Å; E31-R155 IonicContact OE2-NH2 2.71Å; E31-R155 PolarHBondContact OE2-NH2 3.48Å
32	L	65	Low	72.2	Confident	63 Å²	63	63.9 Å²	63.9	33%	0.33	41%	0.409	S	S	.	.			trans	-51.1	111.7	-177.6	-66.3	168.4	0	0	0	108.2	S30 F34 R155	S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L32 PolarHBondContact O-N 2.88Å; L32-F34 HydrophobicContact CB-CE1 4.37Å; L32-F34 HydrophobicContact CB-CE2 4.18Å; L32-F34 HydrophobicContact CB-CZ 4.14Å; L32-F34 HydrophobicContact CD1-CE2 4.45Å; L32-F34 HydrophobicContact CD2-CE1 4.03Å; L32-F34 HydrophobicContact CD2-CE2 4.19Å; L32-F34 HydrophobicContact CD2-CZ 3.54Å; L32-F34 HydrophobicContact CG-CZ 4.29Å; L32-F34 PolarHBondContact O-N 3Å; L32-R155 PolarHBondContact O-NE 3.05Å; L32-R155 PolarHBondContact O-NH2 3.45Å
33	S	87.7	Confident	74.5	Confident	56 Å²	56	58.9 Å²	58.9	39%	0.392	37%	0.374	S	S	.	.			trans	-75.4	13.3	-172.2	54.1	0	0	0	0	113.8	E31 K154 R155	E31-S33 PolarHBondContact O-N 2.77Å; S33-K154 CarbonylContact O-C 3.58Å; S33-K154 VanDerWaalsContact O-CA 3.25Å; S33-K154 WeakPolarHBondContact O-CA 3.5Å; S33-R155 PolarHBondContact O-N 2.6Å
34	F	93.9	Very high	76.7	Confident	44 Å²	44	52.7 Å²	52.7	19%	0.193	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-131.2	156.2	-173.9	51.4	-101.9	0	0	0	112.7	L32 T36 P96 V152 W153	L32-F34 HydrophobicContact CB-CE1 4.37Å; L32-F34 HydrophobicContact CB-CE2 4.18Å; L32-F34 HydrophobicContact CB-CZ 4.14Å; L32-F34 HydrophobicContact CD1-CE2 4.45Å; L32-F34 HydrophobicContact CD2-CE1 4.03Å; L32-F34 HydrophobicContact CD2-CE2 4.19Å; L32-F34 HydrophobicContact CD2-CZ 3.54Å; L32-F34 HydrophobicContact CG-CZ 4.29Å; L32-F34 PolarHBondContact O-N 3Å; F34-T36 HydrophobicContact CD2-CG2 3.71Å; F34-T36 HydrophobicContact CE2-CG2 3.66Å; F34-P96 HydrophobicContact CD2-CB 3.65Å; F34-P96 HydrophobicContact CD2-CG 3.85Å; F34-P96 HydrophobicContact CE2-CB 3.87Å; F34-P96 HydrophobicContact CE2-CG 3.51Å; F34-P96 HydrophobicContact CG-CB 4.16Å; F34-P96 HydrophobicContact CG-CG 4.48Å; F34-P96 HydrophobicContact CZ-CG 3.86Å; F34-V152 HydrophobicContact CB-CG2 4.1Å; F34-W153 VanDerWaalsContact CA-O 3.31Å; F34-W153 WeakPolarHBondContact CA-O 3.4Å; F34-W153 WeakPolarHBondContact CB-O 3.36Å
35	V	95.9	Very high	78.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.303	C	S	.	.			trans	-78.2	139.8	175.4	-171.6	0	0	0	0	109.4	I83 P96 V97 W153 R155 L201 Y204	V35-I83 HydrophobicContact CG1-CD1 3.21Å; V35-P96 WeakPolarHBondContact O-CA 3.32Å; V35-V97 HydrophobicContact CG1-CG2 4.37Å; V35-V97 PolarHBondContact O-N 3.25Å; V35-W153 HydrophobicContact CB-CB 4.4Å; V35-W153 HydrophobicContact CB-CD2 3.85Å; V35-W153 HydrophobicContact CB-CE3 3.86Å; V35-W153 HydrophobicContact CB-CG 4.11Å; V35-W153 HydrophobicContact CB-CZ3 4.4Å; V35-W153 HydrophobicContact CG1-CD2 4.25Å; V35-W153 HydrophobicContact CG1-CE3 3.85Å; V35-W153 HydrophobicContact CG1-CH2 4.33Å; V35-W153 HydrophobicContact CG1-CZ3 3.9Å; V35-W153 HydrophobicContact CG2-CB 4.4Å; V35-W153 HydrophobicContact CG2-CD2 3.52Å; V35-W153 HydrophobicContact CG2-CE3 4Å; V35-W153 HydrophobicContact CG2-CG 3.71Å; V35-W153 HydrophobicContact CG2-CZ2 4.15Å; V35-W153 HydrophobicContact CG2-CZ3 4.49Å; V35-W153 PolarHBondContact N-O 2.65Å; V35-R155 HydrophobicContact CG2-CG 4.18Å; V35-L201 HydrophobicContact CG2-CD1 3.48Å; V35-L201 VanDerWaalsContact CG2-CD1 3.48Å; V35-L201 HydrophobicContact CG2-CG 4.35Å; V35-Y204 HydrophobicContact CG1-CE2 4.26Å
36	T	96.2	Very high	81.2	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-120	151.7	-177.5	60.1	0	0	0	0	112.8	F34 S39 G94 T95 Y204 P207	F34-T36 HydrophobicContact CD2-CG2 3.71Å; F34-T36 HydrophobicContact CE2-CG2 3.66Å; T36-S39 VanDerWaalsContact O-CB 3.3Å; T36-S39 WeakPolarHBondContact O-CB 3.33Å; T36-S39 PolarHBondContact O-N 3.38Å; T36-S39 PolarHBondContact O-OG 3.32Å; T36-G94 VanDerWaalsContact CG2-O 3.27Å; T36-G94 WeakPolarHBondContact CG2-O 3.38Å; T36-T95 CarbonylContact C-O 3.53Å; T36-T95 WeakPolarHBondContact CA-O 3.46Å; T36-T95 WeakPolarHBondContact CB-O 3.27Å; T36-Y204 PolarHBondContact OG1-OH 2.89Å; T36-P207 WeakPolarHBondContact OG1-CD 3.39Å
37	C	96.1	Very high	83.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.4	169.1	-60.4	0	0	0	0	110.7	S39 C91 T92 R93 G94 T95	C37-S39 PolarHBondContact O-N 2.69Å; C37-C91 HydrophobicContact CB-CB 3.8Å; C37-C91 WeakPolarHBondContact CB-SG 3.47Å; C37-C91 VanDerWaalsContact SG-C 3.51Å; C37-C91 WeakPolarHBondContact SG-CA 3.3Å; C37-C91 WeakPolarHBondContact SG-CB 3.01Å; C37-C91 CovalentContact SG-SG 2.01Å; C37-C91 PolarHBondContact SG-SG 2.86Å; C37-T92 WeakPolarHBondContact CB-O 3.3Å; C37-R93 WeakPolarHBondContact O-CA 3.48Å; C37-G94 PolarHBondContact O-N 3.16Å; C37-T95 PolarHBondContact N-O 3.36Å; C37-T95 PolarHBondContact SG-OG1 2.86Å; C37-T95 VanDerWaalsContact SG-OG1 3.33Å
38	G	94.9	Very high	86.1	Confident	22 Å²	22	41.4 Å²	41.4	23%	0.227	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-3.8	-178.9	0	0	0	0	0	114.7	I83 P207	G38-I83 VanDerWaalsContact CA-O 3.3Å; G38-I83 WeakPolarHBondContact CA-O 3.2Å; G38-I83 PolarHBondContact N-O 2.9Å; G38-P207 WeakPolarHBondContact O-CB 3.49Å
39	S	96.5	Very high	88.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.234	C	C	.	.			trans	-66.3	155.3	171.1	61.6	0	0	0	0	111.3	T36 C37 S82 I83 Y204 Q205	T36-S39 VanDerWaalsContact O-CB 3.3Å; T36-S39 WeakPolarHBondContact O-CB 3.33Å; T36-S39 PolarHBondContact O-N 3.38Å; T36-S39 PolarHBondContact O-OG 3.32Å; C37-S39 PolarHBondContact O-N 2.69Å; S39-S82 WeakPolarHBondContact O-CA 3.2Å; S39-I83 PolarHBondContact O-N 3.04Å; S39-I83 WeakPolarHBondContact OG-CD1 3.13Å; S39-Y204 VanDerWaalsContact CB-CE2 3.42Å; S39-Q205 WeakPolarHBondContact CA-O 3.42Å; S39-Q205 VanDerWaalsContact CB-O 3.3Å; S39-Q205 WeakPolarHBondContact CB-O 3.45Å
40	V	97.4	Very high	91.1	Very high	29 Å²	29	37.9 Å²	37.9	18%	0.176	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	171.9	175.3	0	0	0	0	108.2	Y80 W81 V108 Q205	V40-Y80 HydrophobicContact CG1-CD1 3.68Å; V40-Y80 HydrophobicContact CG1-CG 4.05Å; V40-W81 CarbonylContact C-O 3.55Å; V40-W81 WeakPolarHBondContact CA-O 3.18Å; V40-V108 HydrophobicContact CG1-CG2 3.95Å; V40-V108 HydrophobicContact CG2-CG2 4.35Å; V40-Q205 HydrophobicContact CB-CB 4.25Å; V40-Q205 PolarHBondContact N-O 2.53Å; V40-Q205 VanDerWaalsContact N-O 3.09Å; V40-Q205 PolarHBondContact O-N 3.01Å
41	I	97.8	Very high	93.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.5	-170.6	62	165.6	0	0	0	112	L43 W81 I83 L105 W153 L201 L203 Y204	I41-L43 HydrophobicContact CD1-CD1 4.06Å; I41-L43 HydrophobicContact CD1-CD2 3.79Å; I41-L43 HydrophobicContact CD1-CG 3.71Å; I41-L43 HydrophobicContact CG1-CG 4.46Å; I41-W81 HydrophobicContact CG1-CB 4.37Å; I41-W81 WeakPolarHBondContact CG1-O 3.42Å; I41-W81 PolarHBondContact N-O 3.29Å; I41-W81 PolarHBondContact O-N 3.39Å; I41-I83 HydrophobicContact CD1-CD1 4Å; I41-I83 HydrophobicContact CD1-CG1 4.06Å; I41-I83 HydrophobicContact CG1-CG1 4.3Å; I41-I83 HydrophobicContact CG2-CD1 4.24Å; I41-L105 HydrophobicContact CD1-CD2 4.18Å; I41-W153 HydrophobicContact CD1-CH2 3.82Å; I41-L201 HydrophobicContact CB-CD2 3.68Å; I41-L201 HydrophobicContact CD1-CD2 3.86Å; I41-L201 HydrophobicContact CG1-CD2 4.38Å; I41-L201 HydrophobicContact CG2-CD2 3.68Å; I41-L203 WeakPolarHBondContact CA-O 3.19Å; I41-Y204 HydrophobicContact CG2-CD2 3.97Å
42	K	98.5	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.3	158.6	-59.9	-165.2	-175.2	-171.1	0	108.7	V74 D76 S79 Y80 H202 L203	K42-V74 PolarHBondContact NZ-O 2.75Å; K42-D76 WeakPolarHBondContact CE-O 3.39Å; K42-D76 PolarHBondContact NZ-O 2.88Å; K42-S79 WeakPolarHBondContact CG-O 3.39Å; K42-Y80 HydrophobicContact CD-CD1 4.43Å; K42-Y80 HydrophobicContact CD-CE1 4.16Å; K42-Y80 HydrophobicContact CG-CD1 3.78Å; K42-Y80 HydrophobicContact CG-CE1 3.84Å; K42-H202 HydrophobicContact CB-CB 4.32Å; K42-H202 PolarHBondContact O-N 2.71Å; K42-L203 HydrophobicContact CB-CB 4.01Å; K42-L203 HydrophobicContact CD-CB 4.3Å; K42-L203 HydrophobicContact CD-CD1 4.37Å; K42-L203 HydrophobicContact CG-CB 4Å; K42-L203 PolarHBondContact N-O 3.24Å
43	L	98.7	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.1	177.1	-71.5	170.5	0	0	0	110.1	I41 R51 L52 L105 W153 F161 W199 L201	I41-L43 HydrophobicContact CD1-CD1 4.06Å; I41-L43 HydrophobicContact CD1-CD2 3.79Å; I41-L43 HydrophobicContact CD1-CG 3.71Å; I41-L43 HydrophobicContact CG1-CG 4.46Å; L43-R51 CarbonylContact O-C 3.53Å; L43-R51 WeakPolarHBondContact O-CA 3.47Å; L43-L52 HydrophobicContact CB-CB 4.12Å; L43-L52 HydrophobicContact CD1-CD2 4.04Å; L43-L52 PolarHBondContact O-N 2.86Å; L43-L105 HydrophobicContact CD1-CD1 3.93Å; L43-W153 HydrophobicContact CD2-CH2 4.13Å; L43-W153 HydrophobicContact CD2-CZ2 4.15Å; L43-F161 HydrophobicContact CD1-CD2 4.43Å; L43-F161 HydrophobicContact CD1-CE2 3.64Å; L43-F161 HydrophobicContact CD1-CZ 3.79Å; L43-F161 HydrophobicContact CD2-CE2 3.82Å; L43-F161 HydrophobicContact CD2-CZ 3.83Å; L43-F161 HydrophobicContact CG-CE2 4.37Å; L43-F161 HydrophobicContact CG-CZ 4.49Å; L43-W199 HydrophobicContact CB-CE3 3.99Å; L43-W199 HydrophobicContact CD2-CB 4.49Å; L43-L201 HydrophobicContact CD2-CD2 4.11Å
44	L	98.8	Very high	97.6	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.2	177.1	173	67.8	0	0	0	109.8	V46 N49 R51 W199 K200 H202	L44-V46 PolarHBondContact O-N 2.86Å; L44-N49 VanDerWaalsContact CD1-C 3.41Å; L44-R51 HydrophobicContact CD1-CG 4.24Å; L44-W199 CarbonylContact O-C 3.55Å; L44-W199 WeakPolarHBondContact O-CA 3.45Å; L44-K200 HydrophobicContact CB-CG 4.33Å; L44-K200 HydrophobicContact CD2-CG 4.47Å; L44-K200 PolarHBondContact N-O 3.05Å; L44-K200 PolarHBondContact O-N 3.45Å; L44-H202 HydrophobicContact CB-CB 3.86Å
45	N	98.8	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.4	169.7	-172.1	-86.6	0	0	0	109.3	K47 H48 N49 V50 V172 H196 W199	N45-K47 PolarHBondContact O-N 2.91Å; N45-K47 PolarHBondContact OD1-N 2.81Å; N45-H48 PolarHBondContact OD1-N 3.36Å; N45-H48 VanDerWaalsContact OD1-N 3.09Å; N45-N49 WeakPolarHBondContact O-CA 3.3Å; N45-N49 PolarHBondContact O-N 2.76Å; N45-V50 HydrophobicContact CB-CG2 4.11Å; N45-V50 PolarHBondContact N-O 3.09Å; N45-V172 HydrophobicContact CB-CG2 4.43Å; N45-H196 PolarHBondContact ND2-O 3.34Å; N45-W199 HydrophobicContact CB-CD2 4.34Å; N45-W199 HydrophobicContact CB-CE3 3.91Å; N45-W199 HydrophobicContact CB-CH2 3.86Å; N45-W199 HydrophobicContact CB-CZ2 4.26Å; N45-W199 HydrophobicContact CB-CZ3 3.66Å; N45-W199 VanDerWaalsContact N-CE3 3.29Å
46	V	97.7	Very high	97.9	Very high	56 Å²	56	26.7 Å²	26.7	34%	0.339	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-38.5	-172	176.3	0	0	0	0	111.8	L44 L198 K200	L44-V46 PolarHBondContact O-N 2.86Å; V46-L198 HydrophobicContact CB-CB 4.1Å; V46-L198 HydrophobicContact CG2-CB 4.05Å; V46-L198 PolarHBondContact N-O 3.3Å; V46-K200 HydrophobicContact CG2-CB 4.25Å; V46-K200 HydrophobicContact CG2-CD 4.23Å; V46-K200 HydrophobicContact CG2-CG 4.06Å
47	K	98.3	Very high	98	Very high	126 Å²	126	28.7 Å²	28.7	55%	0.548	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-43.4	-174.6	176.6	58.9	-179.5	177.2	0	112.6	N45 Q195	N45-K47 PolarHBondContact O-N 2.91Å; N45-K47 PolarHBondContact OD1-N 2.81Å; K47-Q195 HydrophobicContact CB-CB 4.43Å
48	H	98.3	Very high	98.1	Very high	44 Å²	44	36.4 Å²	36.4	20%	0.204	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-4.9	-171	-68.6	-71.9	0	0	0	114.4	N45 V50 V172 T173 M185 H196	N45-H48 PolarHBondContact OD1-N 3.36Å; N45-H48 VanDerWaalsContact OD1-N 3.09Å; H48-V50 HydrophobicContact CB-CG2 4.07Å; H48-V50 PolarHBondContact O-N 2.01Å; H48-V172 HydrophobicContact CB-CG1 4.14Å; H48-V172 PolarHBondContact CD2-O 2.84Å; H48-V172 PolarHBondContact NE2-O 3.27Å; H48-T173 VanDerWaalsContact CE1-C 3.49Å; H48-T173 PolarHBondContact CE1-O 3.2Å; H48-T173 VanDerWaalsContact NE2-C 3.31Å; H48-T173 WeakPolarHBondContact NE2-CA 3.41Å; H48-T173 PolarHBondContact NE2-O 2.64Å; H48-M185 HydrophobicContact CB-SD 3.93Å; H48-H196 AromaticContact CD2-ND1 3.75Å; H48-H196 AromaticContact NE2-CE1 3.51Å; H48-H196 AromaticContact NE2-ND1 3.07Å; H48-H196 PolarHBondContact NE2-ND1 3.33Å
49	N	98.1	Very high	98.3	Very high	104 Å²	104	36.1 Å²	36.1	56%	0.556	18%	0.175	S	C	*	.			trans	55.9	35.1	178.2	-163.5	47.1	0	0	0	113.6	L44 N45	L44-N49 VanDerWaalsContact CD1-C 3.41Å; N45-N49 WeakPolarHBondContact O-CA 3.3Å; N45-N49 PolarHBondContact O-N 2.76Å
50	V	98.7	Very high	98.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	22%	0.221	C	C	.	.			trans	-113	147.5	175.1	-67.2	0	0	0	0	111.7	N45 H48 V71 V172 M185	N45-V50 HydrophobicContact CB-CG2 4.11Å; N45-V50 PolarHBondContact N-O 3.09Å; H48-V50 HydrophobicContact CB-CG2 4.07Å; H48-V50 PolarHBondContact O-N 2.01Å; V50-V71 CarbonylContact C-O 3.53Å; V50-V71 WeakPolarHBondContact CA-O 3.47Å; V50-V172 HydrophobicContact CG2-CG1 4.13Å; V50-V172 HydrophobicContact CG2-CG2 4.22Å; V50-M185 HydrophobicContact CB-SD 4.42Å; V50-M185 HydrophobicContact CG1-CE 4.04Å; V50-M185 HydrophobicContact CG1-CG 4.21Å; V50-M185 HydrophobicContact CG1-SD 3.56Å; V50-M185 VanDerWaalsContact CG1-SD 3.56Å; V50-M185 HydrophobicContact CG2-SD 4.02Å
51	R	98.8	Very high	98.3	Very high	10 Å²	10	41.7 Å²	41.7	4%	0.038	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	-179.6	-69.2	154.5	-171.8	78.4	4.3	110.5	L43 L44 H53 G70 V71 S72 A73 H202	L43-R51 CarbonylContact O-C 3.53Å; L43-R51 WeakPolarHBondContact O-CA 3.47Å; L44-R51 HydrophobicContact CD1-CG 4.24Å; R51-H53 PolarHBondContact O-N 3.45Å; R51-G70 WeakPolarHBondContact O-CA 3.3Å; R51-V71 HydrophobicContact CB-CG2 4.32Å; R51-V71 PolarHBondContact N-O 3.04Å; R51-V71 PolarHBondContact O-N 2.81Å; R51-S72 PolarHBondContact NH1-O 3.47Å; R51-A73 VanDerWaalsContact CD-O 3.28Å; R51-A73 WeakPolarHBondContact CD-O 3.47Å; R51-H202 PolarHBondContact NE-CD2 2.64Å; R51-H202 PolarHBondContact NE-NE2 3.23Å; R51-H202 PolarHBondContact NH2-CE1 2.88Å; R51-H202 PolarHBondContact NH2-NE2 2.88Å
52	L	98.9	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	128.6	173.4	-172.5	69.2	0	0	0	109.3	L43 V68 S79 W81 L114 L170 V187 W199	L43-L52 HydrophobicContact CB-CB 4.12Å; L43-L52 HydrophobicContact CD1-CD2 4.04Å; L43-L52 PolarHBondContact O-N 2.86Å; L52-V68 HydrophobicContact CD1-CG1 3.54Å; L52-V68 HydrophobicContact CG-CG1 4.4Å; L52-S79 WeakPolarHBondContact O-CA 3.36Å; L52-S79 WeakPolarHBondContact O-CB 3.17Å; L52-W81 HydrophobicContact CD2-CD2 3.98Å; L52-W81 HydrophobicContact CD2-CG 4.33Å; L52-W81 HydrophobicContact CD2-CH2 4.5Å; L52-W81 HydrophobicContact CD2-CZ2 3.92Å; L52-W81 HydrophobicContact CG-CZ2 3.74Å; L52-W81 PolarHBondContact O-NE1 3.17Å; L52-L114 HydrophobicContact CD2-CD1 4.42Å; L52-L114 HydrophobicContact CD2-CD2 4.3Å; L52-L170 HydrophobicContact CD1-CD2 4.36Å; L52-L170 HydrophobicContact CD2-CD2 4.31Å; L52-V187 HydrophobicContact CD1-CG1 4.01Å; L52-V187 HydrophobicContact CD1-CG2 4.17Å; L52-W199 HydrophobicContact CB-CH2 4.43Å; L52-W199 HydrophobicContact CB-CZ3 3.96Å; L52-W199 HydrophobicContact CD1-CH2 4.21Å
53	H	98.9	Very high	98.3	Very high	2 Å²	2	45 Å²	45	1%	0.009	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.3	-167.3	175.4	-78.6	0	0	0	110.8	R51 H55 V68 T69 V71 D76 N78	R51-H53 PolarHBondContact O-N 3.45Å; H53-H55 AromaticContact CE1-CG 3.87Å; H53-H55 AromaticContact CE1-ND1 3.22Å; H53-H55 PolarHBondContact CE1-ND1 2.96Å; H53-H55 AromaticContact ND1-ND1 3.61Å; H53-V68 WeakPolarHBondContact O-CA 3.36Å; H53-T69 WeakPolarHBondContact CB-O 3.35Å; H53-T69 PolarHBondContact N-O 2.95Å; H53-T69 PolarHBondContact ND1-OG1 2.89Å; H53-T69 PolarHBondContact O-N 2.87Å; H53-V71 HydrophobicContact CB-CB 4.34Å; H53-V71 HydrophobicContact CB-CG1 3.75Å; H53-V71 HydrophobicContact CB-CG2 3.8Å; H53-V71 VanDerWaalsContact CG-CG1 3.46Å; H53-D76 IonicContact CD2-OD2 3.98Å; H53-D76 IonicContact NE2-OD2 3.57Å; H53-N78 WeakPolarHBondContact CA-O 3.46Å; H53-N78 PolarHBondContact CD2-O 3.4Å; H53-N78 WeakPolarHBondContact NE2-CB 3.49Å
54	S	98.9	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.4	169.1	-167.9	0	0	0	0	110.9	Q66 S67 N78 H107	S54-Q66 PolarHBondContact OG-OE1 3.19Å; S54-S67 PolarHBondContact OG-O 3.45Å; S54-N78 PolarHBondContact N-O 3.1Å; S54-N78 VanDerWaalsContact O-CB 3.27Å; S54-N78 WeakPolarHBondContact O-CB 3.34Å; S54-H107 PolarHBondContact O-CE1 3.35Å; S54-H107 VanDerWaalsContact O-CE1 3.25Å; S54-H107 PolarHBondContact O-NE2 3.01Å
55	H	98.6	Very high	98.3	Very high	17 Å²	17	47.5 Å²	47.5	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	175.5	-173	45.6	-134.1	0	0	0	110	H53 V57 Q66 S67 I181 Q184	H53-H55 AromaticContact CE1-CG 3.87Å; H53-H55 AromaticContact CE1-ND1 3.22Å; H53-H55 PolarHBondContact CE1-ND1 2.96Å; H53-H55 AromaticContact ND1-ND1 3.61Å; H55-V57 WeakPolarHBondContact CD2-CB 3.46Å; H55-V57 PolarHBondContact CD2-N 3.26Å; H55-V57 PolarHBondContact O-N 3.09Å; H55-Q66 WeakPolarHBondContact O-CG 3.14Å; H55-Q66 PolarHBondContact O-NE2 2.8Å; H55-Q66 VanDerWaalsContact O-NE2 3.16Å; H55-S67 PolarHBondContact CD2-OG 2.9Å; H55-S67 PolarHBondContact NE2-OG 3.22Å; H55-I181 VanDerWaalsContact CE1-CG2 3.42Å; H55-I181 WeakPolarHBondContact CE1-CG2 3.39Å; H55-Q184 PolarHBondContact CE1-OE1 3.48Å
56	D	97.4	Very high	98.3	Very high	138 Å²	138	47.7 Å²	47.7	74%	0.738	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	53.4	175.8	-159	28	0	0	0	113.2
57	V	98.3	Very high	98.4	Very high	45 Å²	45	45.1 Å²	45.1	27%	0.273	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.2	168.9	-174.5	0	0	0	0	106.8	H55 S67 P180 I181	H55-V57 WeakPolarHBondContact CD2-CB 3.46Å; H55-V57 PolarHBondContact CD2-N 3.26Å; H55-V57 PolarHBondContact O-N 3.09Å; V57-S67 PolarHBondContact O-N 3.28Å; V57-S67 PolarHBondContact O-OG 2.91Å; V57-P180 HydrophobicContact CG1-CG 4.18Å; V57-I181 HydrophobicContact CG2-CG2 4.08Å
58	R	98.5	Very high	98.4	Very high	161 Å²	161	39.1 Å²	39.1	61%	0.608	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	153.4	-178.8	-59.6	176.4	100.5	149.1	8.9	109.9	G64 Q65	R58-G64 PolarHBondContact NE-O 2.72Å; R58-Q65 CarbonylContact C-O 3.48Å; R58-Q65 VanDerWaalsContact CA-O 3.29Å; R58-Q65 WeakPolarHBondContact CA-O 3.24Å
59	Y	98.4	Very high	98.4	Very high	16 Å²	16	37 Å²	37	6%	0.063	23%	0.228	C	C	.	.			trans	-63.2	139.8	169.7	-64.8	-50.9	0	0	0	110.6	S61 G64 Q65 S67 V68 P122 E128 V129 Y177	Y59-S61 VanDerWaalsContact C-N 3.3Å; Y59-S61 WeakPolarHBondContact CB-O 3.25Å; Y59-G64 WeakPolarHBondContact O-CA 3.35Å; Y59-Q65 PolarHBondContact N-O 2.92Å; Y59-S67 VanDerWaalsContact CZ-CA 3.48Å; Y59-V68 PolarHBondContact OH-N 3.09Å; Y59-V68 PolarHBondContact OH-O 3.43Å; Y59-P122 HydrophobicContact CD1-CG 3.4Å; Y59-P122 HydrophobicContact CE1-CG 3.66Å; Y59-P122 HydrophobicContact CG-CG 3.92Å; Y59-E128 HydrophobicContact CD2-CG 4.12Å; Y59-E128 HydrophobicContact CE2-CG 3.85Å; Y59-V129 WeakPolarHBondContact CE2-O 3.31Å; Y59-V129 PolarHBondContact OH-O 2.85Å; Y59-Y177 WeakPolarHBondContact CE1-OH 3.44Å
60	G	97.3	Very high	98.4	Very high	92 Å²	92	32.1 Å²	32.1	95%	0.948	20%	0.202	S	C	*	.	S	Bend	trans	-86.5	-2.8	171.7	0	0	0	0	0	113.6
61	S	97.4	Very high	98.4	Very high	55 Å²	55	32.3 Å²	32.3	39%	0.385	20%	0.203	S	C	.	.	S	Bend	trans	-137.5	-176.8	-178.9	62.4	0	0	0	0	109.6	Y59 S63 G64	Y59-S61 VanDerWaalsContact C-N 3.3Å; Y59-S61 WeakPolarHBondContact CB-O 3.25Å; S61-S63 PolarHBondContact O-N 2.74Å; S61-G64 PolarHBondContact O-N 2.98Å
62	G	97.9	Very high	98.4	Very high	38 Å²	38	36.3 Å²	36.3	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-126.1	177	0	0	0	0	0	110.9	E128	G62-E128 WeakPolarHBondContact CA-OE2 3.36Å
63	S	98.3	Very high	98.3	Very high	30 Å²	30	38.5 Å²	38.5	21%	0.21	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.1	-177.9	72.3	0	0	0	0	114.8	S61 Q65 H117 E128	S61-S63 PolarHBondContact O-N 2.74Å; S63-Q65 PolarHBondContact O-N 2.77Å; S63-Q65 VanDerWaalsContact OG-CB 3.28Å; S63-Q65 WeakPolarHBondContact OG-CB 3.44Å; S63-Q65 VanDerWaalsContact OG-CG 3.23Å; S63-Q65 WeakPolarHBondContact OG-CG 3.45Å; S63-Q65 PolarHBondContact OG-N 2.98Å; S63-Q65 VanDerWaalsContact OG-N 3.15Å; S63-H117 WeakPolarHBondContact CB-CE1 3.28Å; S63-H117 PolarHBondContact OG-CE1 3.4Å; S63-E128 WeakPolarHBondContact CB-OE1 3.44Å; S63-E128 PolarHBondContact N-OE2 3.02Å; S63-E128 PolarHBondContact OG-OE1 3.32Å
64	G	98.4	Very high	98.1	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	27%	0.268	S	S	.	.			trans	69.6	10.8	-170.9	0	0	0	0	0	114.9	R58 Y59 S61	R58-G64 PolarHBondContact NE-O 2.72Å; Y59-G64 WeakPolarHBondContact O-CA 3.35Å; S61-G64 PolarHBondContact O-N 2.98Å
65	Q	98.6	Very high	97.9	Very high	30 Å²	30	48.5 Å²	48.5	14%	0.14	30%	0.302	C	S	.	.			trans	-75.2	174.2	177.8	-67	176	-2.3	0	0	112.3	R58 Y59 S63 S67 H115 H117 S130 F132	R58-Q65 CarbonylContact C-O 3.48Å; R58-Q65 VanDerWaalsContact CA-O 3.29Å; R58-Q65 WeakPolarHBondContact CA-O 3.24Å; Y59-Q65 PolarHBondContact N-O 2.92Å; S63-Q65 PolarHBondContact O-N 2.77Å; S63-Q65 VanDerWaalsContact OG-CB 3.28Å; S63-Q65 WeakPolarHBondContact OG-CB 3.44Å; S63-Q65 VanDerWaalsContact OG-CG 3.23Å; S63-Q65 WeakPolarHBondContact OG-CG 3.45Å; S63-Q65 PolarHBondContact OG-N 2.98Å; S63-Q65 VanDerWaalsContact OG-N 3.15Å; Q65-S67 PolarHBondContact O-N 2.92Å; Q65-H115 PolarHBondContact OE1-CD2 2.92Å; Q65-H117 PolarHBondContact OE1-CE1 2.82Å; Q65-H117 VanDerWaalsContact OE1-CE1 3.32Å; Q65-S130 PolarHBondContact OE1-OG 3.24Å; Q65-F132 HydrophobicContact CG-CD2 4.3Å; Q65-F132 VanDerWaalsContact NE2-CD2 3.28Å
66	Q	98.8	Very high	97.9	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.023	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	134.6	178.4	179.1	173.2	94	0	0	110	S54 H55 T110 A131	S54-Q66 PolarHBondContact OG-OE1 3.19Å; H55-Q66 WeakPolarHBondContact O-CG 3.14Å; H55-Q66 PolarHBondContact O-NE2 2.8Å; H55-Q66 VanDerWaalsContact O-NE2 3.16Å; Q66-T110 PolarHBondContact OE1-OG1 3.18Å; Q66-A131 HydrophobicContact CB-CB 4Å; Q66-A131 WeakPolarHBondContact CB-O 3.48Å; Q66-A131 HydrophobicContact CG-CB 4.02Å; Q66-A131 PolarHBondContact O-N 3.37Å
67	S	98.8	Very high	97.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	143.7	-174.4	44.7	0	0	0	0	112.9	S54 H55 V57 Y59 Q65	S54-S67 PolarHBondContact OG-O 3.45Å; H55-S67 PolarHBondContact CD2-OG 2.9Å; H55-S67 PolarHBondContact NE2-OG 3.22Å; V57-S67 PolarHBondContact O-N 3.28Å; V57-S67 PolarHBondContact O-OG 2.91Å; Y59-S67 VanDerWaalsContact CZ-CA 3.48Å; Q65-S67 PolarHBondContact O-N 2.92Å
68	V	98.9	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.8	168.4	175.2	0	0	0	0	108.5	L52 H53 Y59 W81 L114 V129 S130 A131 V187	L52-V68 HydrophobicContact CD1-CG1 3.54Å; L52-V68 HydrophobicContact CG-CG1 4.4Å; H53-V68 WeakPolarHBondContact O-CA 3.36Å; Y59-V68 PolarHBondContact OH-N 3.09Å; Y59-V68 PolarHBondContact OH-O 3.43Å; V68-W81 HydrophobicContact CG2-CH2 4.18Å; V68-L114 HydrophobicContact CB-CD1 4.49Å; V68-L114 HydrophobicContact CG1-CD1 3.9Å; V68-L114 HydrophobicContact CG2-CD1 4.08Å; V68-V129 HydrophobicContact CB-CG1 4.31Å; V68-V129 HydrophobicContact CG1-CG1 4.25Å; V68-S130 WeakPolarHBondContact CG2-O 3.49Å; V68-A131 HydrophobicContact CG2-CB 3.88Å; V68-V187 HydrophobicContact CG1-CB 4.1Å; V68-V187 HydrophobicContact CG1-CG1 4.03Å; V68-V187 HydrophobicContact CG1-CG2 4.42Å
69	T	98.9	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	170.1	-171.4	63.9	0	0	0	0	111.4	H53 Y177 I181 Q184 M185	H53-T69 WeakPolarHBondContact CB-O 3.35Å; H53-T69 PolarHBondContact N-O 2.95Å; H53-T69 PolarHBondContact ND1-OG1 2.89Å; H53-T69 PolarHBondContact O-N 2.87Å; T69-Y177 HydrophobicContact CG2-CD2 4.12Å; T69-Y177 HydrophobicContact CG2-CE2 3.85Å; T69-I181 HydrophobicContact CG2-CD1 3.95Å; T69-Q184 HydrophobicContact CG2-CB 4.33Å; T69-Q184 PolarHBondContact OG1-OE1 2.91Å; T69-M185 CarbonylContact C-O 3.6Å; T69-M185 WeakPolarHBondContact CA-O 3.45Å; T69-M185 WeakPolarHBondContact CB-O 3.46Å
70	G	98.8	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.3	169.2	0	0	0	0	0	110.9	R51 Q184 M185	R51-G70 WeakPolarHBondContact O-CA 3.3Å; G70-Q184 WeakPolarHBondContact O-CA 3.48Å; G70-M185 PolarHBondContact N-O 2.82Å; G70-M185 PolarHBondContact O-N 2.86Å
71	V	98.6	Very high	98	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.7	176.8	-58.3	0	0	0	0	112.6	V50 R51 H53 Q184	V50-V71 CarbonylContact C-O 3.53Å; V50-V71 WeakPolarHBondContact CA-O 3.47Å; R51-V71 HydrophobicContact CB-CG2 4.32Å; R51-V71 PolarHBondContact N-O 3.04Å; R51-V71 PolarHBondContact O-N 2.81Å; H53-V71 HydrophobicContact CB-CB 4.34Å; H53-V71 HydrophobicContact CB-CG1 3.75Å; H53-V71 HydrophobicContact CB-CG2 3.8Å; H53-V71 VanDerWaalsContact CG-CG1 3.46Å; V71-Q184 HydrophobicContact CG1-CB 4.47Å; V71-Q184 HydrophobicContact CG1-CG 3.9Å
72	S	97.8	Very high	98	Very high	93 Å²	93	33.8 Å²	33.8	65%	0.65	21%	0.212	S	C	*	.			trans	-78.3	-24.1	174.7	56.4	0	0	0	0	112.9	R51 V74	R51-S72 PolarHBondContact NH1-O 3.47Å; S72-V74 PolarHBondContact O-N 3.43Å
73	A	97.2	Very high	98	Very high	46 Å²	46	32 Å²	32	38%	0.38	19%	0.194	S	C	.	.			trans	-58	128.5	-180	0	0	0	0	0	111.7	R51 D76	R51-A73 VanDerWaalsContact CD-O 3.28Å; R51-A73 WeakPolarHBondContact CD-O 3.47Å; A73-D76 HydrophobicContact CB-CB 4.26Å
74	V	95.5	Very high	97.9	Very high	62 Å²	62	35.9 Å²	35.9	38%	0.376	20%	0.204	S	C	.	.	S	Bend	trans	-81.3	-46	-173.8	-173.5	0	0	0	0	112	K42 S72 D76 H202	K42-V74 PolarHBondContact NZ-O 2.75Å; S72-V74 PolarHBondContact O-N 3.43Å; V74-D76 VanDerWaalsContact C-N 3.33Å; V74-D76 PolarHBondContact O-N 2.81Å; V74-H202 WeakPolarHBondContact CG1-NE2 3.39Å
75	E	94.6	Very high	97.6	Very high	151 Å²	151	35.4 Å²	35.4	71%	0.706	20%	0.199	S	C	*	.	S	Bend	trans	-94.8	20.1	-170.8	-59.5	-52.6	140.5	0	0	113.3	S77	E75-S77 PolarHBondContact O-N 2.88Å
76	D	97.1	Very high	97.3	Very high	46 Å²	46	34.6 Å²	34.6	25%	0.246	20%	0.196	C	C	.	.			trans	-74.2	129.2	177.7	-158	-36.2	0	0	0	110.9	K42 H53 A73 V74 N78 S79	K42-D76 WeakPolarHBondContact CE-O 3.39Å; K42-D76 PolarHBondContact NZ-O 2.88Å; H53-D76 IonicContact CD2-OD2 3.98Å; H53-D76 IonicContact NE2-OD2 3.57Å; A73-D76 HydrophobicContact CB-CB 4.26Å; V74-D76 VanDerWaalsContact C-N 3.33Å; V74-D76 PolarHBondContact O-N 2.81Å; D76-N78 VanDerWaalsContact C-N 3.3Å; D76-N78 WeakPolarHBondContact OD1-CB 3.44Å; D76-N78 PolarHBondContact OD1-N 3.15Å; D76-S79 PolarHBondContact O-N 2.98Å
77	S	97.8	Very high	96.5	Very high	59 Å²	59	38.9 Å²	38.9	41%	0.413	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-71.3	-26	176.7	69.9	0	0	0	0	112.7	E75 S79 Y80 N109	E75-S77 PolarHBondContact O-N 2.88Å; S77-S79 PolarHBondContact O-N 3.4Å; S77-S79 VanDerWaalsContact O-N 3.09Å; S77-Y80 WeakPolarHBondContact O-CD2 3.45Å; S77-Y80 PolarHBondContact O-N 3.24Å; S77-N109 PolarHBondContact O-ND2 3.47Å; S77-N109 PolarHBondContact OG-ND2 2.97Å
78	N	98.6	Very high	95.5	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.23	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-75.1	8.1	175.8	-74.7	-33.7	0	0	0	113.5	H53 S54 D76 H107 N109	H53-N78 WeakPolarHBondContact CA-O 3.46Å; H53-N78 PolarHBondContact CD2-O 3.4Å; H53-N78 WeakPolarHBondContact NE2-CB 3.49Å; S54-N78 PolarHBondContact N-O 3.1Å; S54-N78 VanDerWaalsContact O-CB 3.27Å; S54-N78 WeakPolarHBondContact O-CB 3.34Å; D76-N78 VanDerWaalsContact C-N 3.3Å; D76-N78 WeakPolarHBondContact OD1-CB 3.44Å; D76-N78 PolarHBondContact OD1-N 3.15Å; N78-H107 WeakPolarHBondContact CA-NE2 3.38Å; N78-H107 PolarHBondContact O-NE2 2.78Å; N78-N109 PolarHBondContact OD1-ND2 2.94Å
79	S	98.7	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-103.2	5.7	171.1	-61.9	0	0	0	0	113.3	K42 L52 D76 S77 W81	K42-S79 WeakPolarHBondContact CG-O 3.39Å; L52-S79 WeakPolarHBondContact O-CA 3.36Å; L52-S79 WeakPolarHBondContact O-CB 3.17Å; D76-S79 PolarHBondContact O-N 2.98Å; S77-S79 PolarHBondContact O-N 3.4Å; S77-S79 VanDerWaalsContact O-N 3.09Å; S79-W81 VanDerWaalsContact O-CD1 3.24Å
80	Y	98.6	Very high	94	Very high	44 Å²	44	50.1 Å²	50.1	17%	0.173	32%	0.321	C	S	.	.			trans	-85.7	128.7	176.7	-72.1	-62.3	0	0	0	112	V40 K42 S77 H107 V108 L203	V40-Y80 HydrophobicContact CG1-CD1 3.68Å; V40-Y80 HydrophobicContact CG1-CG 4.05Å; K42-Y80 HydrophobicContact CD-CD1 4.43Å; K42-Y80 HydrophobicContact CD-CE1 4.16Å; K42-Y80 HydrophobicContact CG-CD1 3.78Å; K42-Y80 HydrophobicContact CG-CE1 3.84Å; S77-Y80 WeakPolarHBondContact O-CD2 3.45Å; S77-Y80 PolarHBondContact O-N 3.24Å; Y80-H107 PolarHBondContact O-CD2 2.86Å; Y80-V108 WeakPolarHBondContact O-CG2 3.37Å; Y80-V108 PolarHBondContact O-N 2.96Å; Y80-L203 HydrophobicContact CE1-CD1 4.2Å; Y80-L203 HydrophobicContact CE1-CD2 4Å
81	W	98.8	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.6	177.9	-61.5	82.1	0	0	0	110.1	V40 I41 L52 V68 S79 L105 T106 H107 L114	V40-W81 CarbonylContact C-O 3.55Å; V40-W81 WeakPolarHBondContact CA-O 3.18Å; I41-W81 HydrophobicContact CG1-CB 4.37Å; I41-W81 WeakPolarHBondContact CG1-O 3.42Å; I41-W81 PolarHBondContact N-O 3.29Å; I41-W81 PolarHBondContact O-N 3.39Å; L52-W81 HydrophobicContact CD2-CD2 3.98Å; L52-W81 HydrophobicContact CD2-CG 4.33Å; L52-W81 HydrophobicContact CD2-CH2 4.5Å; L52-W81 HydrophobicContact CD2-CZ2 3.92Å; L52-W81 HydrophobicContact CG-CZ2 3.74Å; L52-W81 PolarHBondContact O-NE1 3.17Å; V68-W81 HydrophobicContact CG2-CH2 4.18Å; S79-W81 VanDerWaalsContact O-CD1 3.24Å; W81-L105 HydrophobicContact CE3-CB 4.1Å; W81-T106 CarbonylContact C-O 3.53Å; W81-T106 WeakPolarHBondContact CA-O 3.34Å; W81-H107 HydrophobicContact CD2-CB 4.36Å; W81-H107 HydrophobicContact CE3-CB 3.89Å; W81-H107 HydrophobicContact CH2-CB 3.86Å; W81-H107 HydrophobicContact CZ2-CB 4.32Å; W81-H107 HydrophobicContact CZ3-CB 3.62Å; W81-L114 HydrophobicContact CE3-CB 4.47Å; W81-L114 HydrophobicContact CH2-CB 4.49Å; W81-L114 HydrophobicContact CH2-CD1 4.08Å; W81-L114 HydrophobicContact CZ3-CB 3.85Å; W81-L114 HydrophobicContact CZ3-CD1 4.27Å
82	S	97.9	Very high	93.3	Very high	22 Å²	22	55 Å²	55	15%	0.154	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.8	174.7	-174	0	0	0	0	110.8	S39 T106	S39-S82 WeakPolarHBondContact O-CA 3.2Å; S82-T106 PolarHBondContact N-O 3.41Å; S82-T106 PolarHBondContact O-N 2.97Å
83	I	97.5	Very high	93	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119	174.5	-59.1	-179.9	0	0	0	109.6	V35 G38 S39 I41 V97 I103 L105 W153	V35-I83 HydrophobicContact CG1-CD1 3.21Å; G38-I83 VanDerWaalsContact CA-O 3.3Å; G38-I83 WeakPolarHBondContact CA-O 3.2Å; G38-I83 PolarHBondContact N-O 2.9Å; S39-I83 PolarHBondContact O-N 3.04Å; S39-I83 WeakPolarHBondContact OG-CD1 3.13Å; I41-I83 HydrophobicContact CD1-CD1 4Å; I41-I83 HydrophobicContact CD1-CG1 4.06Å; I41-I83 HydrophobicContact CG1-CG1 4.3Å; I41-I83 HydrophobicContact CG2-CD1 4.24Å; I83-V97 HydrophobicContact CD1-CG2 4.49Å; I83-V97 HydrophobicContact CG2-CG2 4.06Å; I83-I103 HydrophobicContact CG2-CB 4.34Å; I83-I103 HydrophobicContact CG2-CD1 4.02Å; I83-I103 HydrophobicContact CG2-CG2 4.23Å; I83-L105 HydrophobicContact CG1-CD2 4.11Å; I83-W153 HydrophobicContact CD1-CH2 4.4Å; I83-W153 HydrophobicContact CD1-CZ3 3.85Å
84	R	95.6	Very high	92.8	Very high	113 Å²	113	55.2 Å²	55.2	43%	0.426	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	162.2	178.4	-59.7	-176.9	75.5	101.3	-9.5	111.6	I103 R104 T106	R84-I103 WeakPolarHBondContact O-CA 3.39Å; R84-I103 WeakPolarHBondContact O-CB 3.34Å; R84-R104 HydrophobicContact CB-CB 4.36Å; R84-R104 PolarHBondContact N-O 2.96Å; R84-R104 PolarHBondContact O-N 2.85Å; R84-T106 VanDerWaalsContact CD-OG1 3.24Å; R84-T106 WeakPolarHBondContact CD-OG1 3.4Å
85	G	93.7	Very high	92.7	Very high	18 Å²	18	54.9 Å²	54.9	19%	0.186	34%	0.337	C	S	.	.			trans	-73.8	175.6	168.9	0	0	0	0	0	112.1	C91	G85-C91 VanDerWaalsContact N-CB 3.29Å
86	T	91	Very high	92.7	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.086	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-100.7	169.2	174.2	75.6	0	0	0	0	110.5	G88 A89 T102 E143	T86-G88 PolarHBondContact O-N 3.11Å; T86-G88 PolarHBondContact OG1-N 3.2Å; T86-A89 PolarHBondContact N-O 2.85Å; T86-A89 CarbonylContact O-C 3.49Å; T86-A89 PolarHBondContact O-N 2.9Å; T86-A89 VanDerWaalsContact O-O 3.1Å; T86-A89 PolarHBondContact OG1-N 3.43Å; T86-T102 HydrophobicContact CG2-CG2 3.7Å; T86-E143 VanDerWaalsContact CB-OE1 3.3Å; T86-E143 WeakPolarHBondContact CB-OE1 3.5Å; T86-E143 HydrophobicContact CG2-CG 3.79Å
87	S	82.2	Confident	92.7	Very high	94 Å²	94	47.7 Å²	47.7	66%	0.657	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.9	176.4	-57.1	0	0	0	0	112.6	R104	S87-R104 PolarHBondContact OG-NH2 3.48Å; S87-R104 VanDerWaalsContact OG-NH2 3.11Å
88	G	77.4	Confident	92.7	Very high	78 Å²	78	51.4 Å²	51.4	80%	0.804	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-12.3	179	0	0	0	0	0	115.1	T86	T86-G88 PolarHBondContact O-N 3.11Å; T86-G88 PolarHBondContact OG1-N 3.2Å
89	A	83.1	Confident	92.6	Very high	52 Å²	52	50.7 Å²	50.7	43%	0.43	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-148.1	110.1	-177.7	0	0	0	0	0	111.4	T86	T86-A89 PolarHBondContact N-O 2.85Å; T86-A89 CarbonylContact O-C 3.49Å; T86-A89 PolarHBondContact O-N 2.9Å; T86-A89 VanDerWaalsContact O-O 3.1Å; T86-A89 PolarHBondContact OG1-N 3.43Å
90	S	84.4	Confident	92.6	Very high	109 Å²	109	53.1 Å²	53.1	76%	0.762	34%	0.338	S	S	*	.			trans	-64.9	136.4	176.3	60.2	0	0	0	0	111.5
91	C	89.7	Confident	92.5	Very high	21 Å²	21	53.1 Å²	53.1	14%	0.142	34%	0.34	C	S	.	.			trans	-111.9	93.6	174.4	-159.9	0	0	0	0	107.5	C37 G85 R93 Q101	C37-C91 HydrophobicContact CB-CB 3.8Å; C37-C91 WeakPolarHBondContact CB-SG 3.47Å; C37-C91 VanDerWaalsContact SG-C 3.51Å; C37-C91 WeakPolarHBondContact SG-CA 3.3Å; C37-C91 WeakPolarHBondContact SG-CB 3.01Å; C37-C91 CovalentContact SG-SG 2.01Å; C37-C91 PolarHBondContact SG-SG 2.86Å; G85-C91 VanDerWaalsContact N-CB 3.29Å; C91-R93 PolarHBondContact O-N 3.11Å; C91-Q101 PolarHBondContact SG-NE2 2.92Å; C91-Q101 VanDerWaalsContact SG-NE2 3.37Å
92	T	92.6	Very high	92.5	Very high	89 Å²	89	54.4 Å²	54.4	55%	0.546	35%	0.348	S	S	.	.			trans	-65.7	126.6	-175.2	-56.7	0	0	0	0	110.3	C37 G94 T95	C37-T92 WeakPolarHBondContact CB-O 3.3Å; T92-G94 PolarHBondContact O-N 2.76Å; T92-T95 HydrophobicContact CG2-CG2 4.12Å; T92-T95 WeakPolarHBondContact O-CB 3.1Å; T92-T95 WeakPolarHBondContact O-CG2 3.13Å; T92-T95 PolarHBondContact O-N 3.42Å; T92-T95 PolarHBondContact O-OG1 2.86Å
93	R	91.8	Very high	92.5	Very high	107 Å²	107	53.3 Å²	53.3	40%	0.404	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	132.6	179.7	-172.7	-167.5	-171.5	110.8	-8.4	111.7	C37 C91 T95 P207 P208	C37-R93 WeakPolarHBondContact O-CA 3.48Å; C91-R93 PolarHBondContact O-N 3.11Å; R93-T95 PolarHBondContact O-N 2.9Å; R93-P207 HydrophobicContact CG-CB 3.63Å; R93-P207 HydrophobicContact CG-CG 4.11Å; R93-P208 PolarHBondContact NE-O 3.29Å; R93-P208 VanDerWaalsContact NH2-C 3.29Å; R93-P208 VanDerWaalsContact NH2-CA 3.33Å; R93-P208 PolarHBondContact NH2-O 2.86Å
94	G	91.7	Very high	92.5	Very high	37 Å²	37	53.8 Å²	53.8	38%	0.381	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-10.4	179.1	0	0	0	0	0	115.1	T36 C37 T92	T36-G94 VanDerWaalsContact CG2-O 3.27Å; T36-G94 WeakPolarHBondContact CG2-O 3.38Å; C37-G94 PolarHBondContact O-N 3.16Å; T92-G94 PolarHBondContact O-N 2.76Å
95	T	93.8	Very high	92.7	Very high	55 Å²	55	48.4 Å²	48.4	34%	0.337	32%	0.322	S	S	.	.	S	Bend	trans	-74.8	144.7	173.6	64.7	0	0	0	0	111.4	T36 C37 T92 R93	T36-T95 CarbonylContact C-O 3.53Å; T36-T95 WeakPolarHBondContact CA-O 3.46Å; T36-T95 WeakPolarHBondContact CB-O 3.27Å; C37-T95 PolarHBondContact N-O 3.36Å; C37-T95 PolarHBondContact SG-OG1 2.86Å; C37-T95 VanDerWaalsContact SG-OG1 3.33Å; T92-T95 HydrophobicContact CG2-CG2 4.12Å; T92-T95 WeakPolarHBondContact O-CB 3.1Å; T92-T95 WeakPolarHBondContact O-CG2 3.13Å; T92-T95 PolarHBondContact O-N 3.42Å; T92-T95 PolarHBondContact O-OG1 2.86Å; R93-T95 PolarHBondContact O-N 2.9Å
96	P	95.8	Very high	92.9	Very high	47 Å²	47	48 Å²	48	31%	0.305	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-60.6	137.1	177	-14.9	23	0	0	0	112.2	F34 V35 K98 V152	F34-P96 HydrophobicContact CD2-CB 3.65Å; F34-P96 HydrophobicContact CD2-CG 3.85Å; F34-P96 HydrophobicContact CE2-CB 3.87Å; F34-P96 HydrophobicContact CE2-CG 3.51Å; F34-P96 HydrophobicContact CG-CB 4.16Å; F34-P96 HydrophobicContact CG-CG 4.48Å; F34-P96 HydrophobicContact CZ-CG 3.86Å; V35-P96 WeakPolarHBondContact O-CA 3.32Å; P96-K98 PolarHBondContact O-N 2.87Å; P96-V152 HydrophobicContact CB-CB 4.29Å; P96-V152 HydrophobicContact CB-CG1 3.84Å
97	V	97.1	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-74.7	120.8	168.5	-178.5	0	0	0	0	108.6	V35 I83 Q101 I103 V146 V152 W153	V35-V97 HydrophobicContact CG1-CG2 4.37Å; V35-V97 PolarHBondContact O-N 3.25Å; I83-V97 HydrophobicContact CD1-CG2 4.49Å; I83-V97 HydrophobicContact CG2-CG2 4.06Å; V97-Q101 HydrophobicContact CG1-CB 4.38Å; V97-I103 HydrophobicContact CG1-CG2 4.11Å; V97-V146 HydrophobicContact CG1-CG2 4.07Å; V97-V152 WeakPolarHBondContact O-CA 3.27Å; V97-W153 HydrophobicContact CB-CB 4.48Å; V97-W153 HydrophobicContact CB-CE3 4.37Å; V97-W153 HydrophobicContact CG1-CE3 4.16Å; V97-W153 PolarHBondContact O-N 3.45Å
98	K	97	Very high	94	Very high	136 Å²	136	46 Å²	46	59%	0.591	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-79	149	179.7	-61.7	178.3	-177	175.9	0	111.3	P96 G100 Q101 S151	P96-K98 PolarHBondContact O-N 2.87Å; K98-G100 PolarHBondContact O-N 2.75Å; K98-Q101 HydrophobicContact CB-CB 4.14Å; K98-Q101 WeakPolarHBondContact O-CB 3.33Å; K98-Q101 PolarHBondContact O-N 2.81Å; K98-S151 WeakPolarHBondContact CA-O 3.37Å
99	C	97.4	Very high	95	Very high	29 Å²	29	46.1 Å²	46.1	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	135.4	166.6	-61.7	0	0	0	0	109.5	Q101 C148 G150 S151 V152	C99-Q101 VanDerWaalsContact C-N 3.26Å; C99-Q101 PolarHBondContact O-N 2.86Å; C99-C148 WeakPolarHBondContact CA-SG 3.38Å; C99-C148 HydrophobicContact CB-CB 4.17Å; C99-C148 WeakPolarHBondContact CB-SG 3.49Å; C99-C148 WeakPolarHBondContact SG-CB 3.21Å; C99-C148 CovalentContact SG-SG 2.02Å; C99-C148 PolarHBondContact SG-SG 3.33Å; C99-G150 WeakPolarHBondContact CB-O 3.31Å; C99-G150 VanDerWaalsContact SG-C 3.58Å; C99-G150 PolarHBondContact SG-O 2.52Å; C99-S151 PolarHBondContact N-O 3.34Å; C99-V152 VanDerWaalsContact SG-C 3.53Å
100	G	97.6	Very high	95.8	Very high	51 Å²	51	45.6 Å²	45.6	53%	0.526	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1.5	-171.4	0	0	0	0	0	114.5	K98 V146	K98-G100 PolarHBondContact O-N 2.75Å; G100-V146 WeakPolarHBondContact CA-O 3.28Å; G100-V146 PolarHBondContact N-O 3.15Å
101	Q	97.5	Very high	96.4	Very high	44 Å²	44	41.2 Å²	41.2	21%	0.206	25%	0.245	C	C	.	.			trans	-72.5	135.7	175.2	-173.9	172.6	-18.6	0	0	110.8	C91 V97 K98 C99 I103 V146	C91-Q101 PolarHBondContact SG-NE2 2.92Å; C91-Q101 VanDerWaalsContact SG-NE2 3.37Å; V97-Q101 HydrophobicContact CG1-CB 4.38Å; K98-Q101 HydrophobicContact CB-CB 4.14Å; K98-Q101 WeakPolarHBondContact O-CB 3.33Å; K98-Q101 PolarHBondContact O-N 2.81Å; C99-Q101 VanDerWaalsContact C-N 3.26Å; C99-Q101 PolarHBondContact O-N 2.86Å; Q101-I103 HydrophobicContact CG-CG2 4.2Å; Q101-V146 PolarHBondContact O-N 2.91Å
102	T	98	Very high	96.8	Very high	26 Å²	26	43.1 Å²	43.1	16%	0.16	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.6	168.4	-49.9	0	0	0	0	110	T86 E143 W144 T145 K164	T86-T102 HydrophobicContact CG2-CG2 3.7Å; T102-E143 HydrophobicContact CG2-CB 3.61Å; T102-E143 HydrophobicContact CG2-CG 4.18Å; T102-W144 CarbonylContact C-O 3.52Å; T102-W144 WeakPolarHBondContact CA-O 3.23Å; T102-T145 PolarHBondContact OG1-OG1 3.48Å; T102-K164 HydrophobicContact CG2-CD 3.79Å
103	I	97.8	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	170.7	179.6	61	168.4	0	0	0	110.1	I83 R84 V97 Q101 L105 W144 V146 W153 F161	I83-I103 HydrophobicContact CG2-CB 4.34Å; I83-I103 HydrophobicContact CG2-CD1 4.02Å; I83-I103 HydrophobicContact CG2-CG2 4.23Å; R84-I103 WeakPolarHBondContact O-CA 3.39Å; R84-I103 WeakPolarHBondContact O-CB 3.34Å; V97-I103 HydrophobicContact CG1-CG2 4.11Å; Q101-I103 HydrophobicContact CG-CG2 4.2Å; I103-L105 HydrophobicContact CD1-CD2 4.1Å; I103-L105 HydrophobicContact CD1-CG 4.32Å; I103-W144 WeakPolarHBondContact CG1-O 3.29Å; I103-W144 PolarHBondContact N-O 3.09Å; I103-W144 PolarHBondContact O-N 3.22Å; I103-V146 HydrophobicContact CD1-CG2 3.55Å; I103-V146 HydrophobicContact CG1-CG2 3.81Å; I103-W153 HydrophobicContact CD1-CZ3 4.49Å; I103-F161 HydrophobicContact CD1-CE1 4.26Å
104	R	98.1	Very high	97.5	Very high	10 Å²	10	33.8 Å²	33.8	4%	0.038	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144	160.6	-66.9	-175.3	174.3	157.8	0.1	109.6	R84 S87 D139 D142	R84-R104 HydrophobicContact CB-CB 4.36Å; R84-R104 PolarHBondContact N-O 2.96Å; R84-R104 PolarHBondContact O-N 2.85Å; S87-R104 PolarHBondContact OG-NH2 3.48Å; S87-R104 VanDerWaalsContact OG-NH2 3.11Å; R104-D139 PolarHBondContact NH2-O 3.19Å; R104-D142 HydrophobicContact CG-CB 4.17Å
105	L	98.6	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109	170.1	-69.2	170.4	0	0	0	107.8	I41 L43 W81 I83 I103 N113 L114 F161	I41-L105 HydrophobicContact CD1-CD2 4.18Å; L43-L105 HydrophobicContact CD1-CD1 3.93Å; W81-L105 HydrophobicContact CE3-CB 4.1Å; I83-L105 HydrophobicContact CG1-CD2 4.11Å; I103-L105 HydrophobicContact CD1-CD2 4.1Å; I103-L105 HydrophobicContact CD1-CG 4.32Å; L105-N113 CarbonylContact O-C 3.57Å; L105-N113 WeakPolarHBondContact O-CA 3.08Å; L105-L114 HydrophobicContact CB-CB 4.01Å; L105-L114 HydrophobicContact CB-CD2 4.43Å; L105-L114 HydrophobicContact CD1-CD2 3.82Å; L105-L114 PolarHBondContact O-N 2.77Å; L105-F161 HydrophobicContact CD1-CD1 4.16Å; L105-F161 HydrophobicContact CD1-CE1 4.16Å
106	T	98.6	Very high	98.1	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.055	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.3	-178.4	-51.8	0	0	0	0	109.9	W81 S82 R84 V108 G111 R112 N113	W81-T106 CarbonylContact C-O 3.53Å; W81-T106 WeakPolarHBondContact CA-O 3.34Å; S82-T106 PolarHBondContact N-O 3.41Å; S82-T106 PolarHBondContact O-N 2.97Å; R84-T106 VanDerWaalsContact CD-OG1 3.24Å; R84-T106 WeakPolarHBondContact CD-OG1 3.4Å; T106-V108 PolarHBondContact O-N 3.49Å; T106-G111 WeakPolarHBondContact CG2-O 3.18Å; T106-R112 CarbonylContact C-O 3.48Å; T106-R112 WeakPolarHBondContact CA-O 3.47Å; T106-N113 PolarHBondContact OG1-OD1 3.23Å
107	H	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	122.8	175.5	-176.2	-126.9	0	0	0	109.9	S54 N78 Y80 W81 N109 T110 G111 R112	S54-H107 PolarHBondContact O-CE1 3.35Å; S54-H107 VanDerWaalsContact O-CE1 3.25Å; S54-H107 PolarHBondContact O-NE2 3.01Å; N78-H107 WeakPolarHBondContact CA-NE2 3.38Å; N78-H107 PolarHBondContact O-NE2 2.78Å; Y80-H107 PolarHBondContact O-CD2 2.86Å; W81-H107 HydrophobicContact CD2-CB 4.36Å; W81-H107 HydrophobicContact CE3-CB 3.89Å; W81-H107 HydrophobicContact CH2-CB 3.86Å; W81-H107 HydrophobicContact CZ2-CB 4.32Å; W81-H107 HydrophobicContact CZ3-CB 3.62Å; H107-N109 PolarHBondContact O-N 3.07Å; H107-T110 PolarHBondContact ND1-OG1 3.06Å; H107-G111 WeakPolarHBondContact O-CA 3Å; H107-G111 PolarHBondContact O-N 2.78Å; H107-R112 PolarHBondContact N-O 2.88Å
108	V	98.2	Very high	98.2	Very high	66 Å²	66	36.8 Å²	36.8	40%	0.4	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-42.1	-168.7	170.4	0	0	0	0	112.1	V40 Y80 T106	V40-V108 HydrophobicContact CG1-CG2 3.95Å; V40-V108 HydrophobicContact CG2-CG2 4.35Å; Y80-V108 WeakPolarHBondContact O-CG2 3.37Å; Y80-V108 PolarHBondContact O-N 2.96Å; T106-V108 PolarHBondContact O-N 3.49Å
109	N	98.3	Very high	98.3	Very high	81 Å²	81	35 Å²	35	43%	0.433	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-27.6	-172.2	-72.7	-8.9	0	0	0	113.8	S77 N78 H107	S77-N109 PolarHBondContact O-ND2 3.47Å; S77-N109 PolarHBondContact OG-ND2 2.97Å; N78-N109 PolarHBondContact OD1-ND2 2.94Å; H107-N109 PolarHBondContact O-N 3.07Å
110	T	98.3	Very high	98.4	Very high	41 Å²	41	36.2 Å²	36.2	25%	0.252	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-8.8	-178.7	64.3	0	0	0	0	113.3	Q66 H107 R112	Q66-T110 PolarHBondContact OE1-OG1 3.18Å; H107-T110 PolarHBondContact ND1-OG1 3.06Å; T110-R112 PolarHBondContact O-N 2.02Å; T110-R112 VanDerWaalsContact O-N 3.11Å
111	G	98.1	Very high	98.4	Very high	16 Å²	16	34 Å²	34	17%	0.165	17%	0.174	C	C	.	.			trans	66.2	6.2	-175.6	0	0	0	0	0	114	T106 H107 E134 E135 G136	T106-G111 WeakPolarHBondContact CG2-O 3.18Å; H107-G111 WeakPolarHBondContact O-CA 3Å; H107-G111 PolarHBondContact O-N 2.78Å; G111-E134 CarbonylContact O-C 3.56Å; G111-E135 CarbonylContact O-C 3.59Å; G111-E135 PolarHBondContact O-N 2.96Å; G111-E135 VanDerWaalsContact O-N 3.09Å; G111-G136 PolarHBondContact O-N 3.48Å
112	R	98.7	Very high	98.4	Very high	61 Å²	61	33.7 Å²	33.7	23%	0.23	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-86.2	147.8	-177.8	-60.9	-161.6	-173.9	-96	0	111.7	T106 H107 T110 A131 F132 G133	T106-R112 CarbonylContact C-O 3.48Å; T106-R112 WeakPolarHBondContact CA-O 3.47Å; H107-R112 PolarHBondContact N-O 2.88Å; T110-R112 PolarHBondContact O-N 2.02Å; T110-R112 VanDerWaalsContact O-N 3.11Å; R112-A131 HydrophobicContact CB-CB 3.82Å; R112-F132 CarbonylContact C-O 3.43Å; R112-F132 WeakPolarHBondContact CA-O 3.43Å; R112-F132 WeakPolarHBondContact CB-O 3.12Å; R112-G133 WeakPolarHBondContact CG-O 3.38Å; R112-G133 PolarHBondContact NH1-O 2.63Å
113	N	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	145.1	175.8	-65.6	-36.3	0	0	0	111.5	L105 T106 H115 A131 F132 G136 D142	L105-N113 CarbonylContact O-C 3.57Å; L105-N113 WeakPolarHBondContact O-CA 3.08Å; T106-N113 PolarHBondContact OG1-OD1 3.23Å; N113-H115 PolarHBondContact O-N 2.91Å; N113-A131 CarbonylContact O-C 3.58Å; N113-A131 VanDerWaalsContact O-CA 3.27Å; N113-A131 WeakPolarHBondContact O-CA 3.17Å; N113-F132 PolarHBondContact N-O 3.13Å; N113-F132 PolarHBondContact O-N 2.76Å; N113-G136 PolarHBondContact ND2-O 3.4Å; N113-G136 WeakPolarHBondContact OD1-CA 3.47Å; N113-G136 PolarHBondContact OD1-O 2.83Å; N113-D142 HydrophobicContact CB-CB 3.76Å; N113-D142 VanDerWaalsContact CB-CG 3.41Å; N113-D142 PolarHBondContact ND2-OD2 3.4Å
114	L	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	122.1	165	-173.2	71.1	0	0	0	108.6	L52 V68 W81 L105 V129 D142 W144 L170	L52-L114 HydrophobicContact CD2-CD1 4.42Å; L52-L114 HydrophobicContact CD2-CD2 4.3Å; V68-L114 HydrophobicContact CB-CD1 4.49Å; V68-L114 HydrophobicContact CG1-CD1 3.9Å; V68-L114 HydrophobicContact CG2-CD1 4.08Å; W81-L114 HydrophobicContact CE3-CB 4.47Å; W81-L114 HydrophobicContact CH2-CB 4.49Å; W81-L114 HydrophobicContact CH2-CD1 4.08Å; W81-L114 HydrophobicContact CZ3-CB 3.85Å; W81-L114 HydrophobicContact CZ3-CD1 4.27Å; L105-L114 HydrophobicContact CB-CB 4.01Å; L105-L114 HydrophobicContact CB-CD2 4.43Å; L105-L114 HydrophobicContact CD1-CD2 3.82Å; L105-L114 PolarHBondContact O-N 2.77Å; L114-V129 HydrophobicContact CD1-CG1 3.47Å; L114-V129 VanDerWaalsContact CD1-CG1 3.47Å; L114-V129 HydrophobicContact CG-CG1 4.19Å; L114-D142 WeakPolarHBondContact O-CA 3.45Å; L114-W144 HydrophobicContact CD2-CD2 4.12Å; L114-W144 HydrophobicContact CD2-CG 4.49Å; L114-W144 HydrophobicContact CD2-CZ2 3.89Å; L114-W144 HydrophobicContact CG-CZ2 3.84Å; L114-W144 PolarHBondContact O-NE1 2.81Å; L114-L170 HydrophobicContact CD2-CD1 4.2Å; L114-L170 HydrophobicContact CD2-CD2 3.97Å
115	H	98.9	Very high	98.4	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.6	-167	-173	90.5	0	0	0	110.6	Q65 N113 H117 V129 S130 F132 D139 L141 D142	Q65-H115 PolarHBondContact OE1-CD2 2.92Å; N113-H115 PolarHBondContact O-N 2.91Å; H115-H117 AromaticContact CD2-CE1 3.93Å; H115-H117 AromaticContact CD2-ND1 3.75Å; H115-H117 AromaticContact NE2-ND1 3.58Å; H115-V129 WeakPolarHBondContact O-CA 3.48Å; H115-S130 PolarHBondContact N-O 3.49Å; H115-S130 PolarHBondContact O-N 2.87Å; H115-F132 HydrophobicContact CB-CB 3.53Å; H115-F132 AromaticContact CE1-CD1 3.53Å; H115-F132 AromaticContact CE1-CG 3.83Å; H115-F132 VanDerWaalsContact CG-CB 3.46Å; H115-F132 AromaticContact ND1-CD1 3.56Å; H115-F132 AromaticContact ND1-CG 3.79Å; H115-D139 IonicContact CE1-OD1 3.48Å; H115-D139 PolarHBondContact CE1-OD1 3.05Å; H115-D139 IonicContact CE1-OD2 3.98Å; H115-D139 IonicContact ND1-OD1 2.7Å; H115-L141 WeakPolarHBondContact CA-O 3.38Å; H115-L141 WeakPolarHBondContact CE1-CB 3.42Å; H115-L141 PolarHBondContact ND1-O 2.84Å; H115-D142 IonicContact CE1-OD1 3.61Å; H115-D142 IonicContact CG-OD1 2.87Å; H115-D142 IonicContact ND1-OD1 3.81Å; H115-D142 PolarHBondContact ND1-OD1 3.47Å
116	S	98.9	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155	171.6	-161.8	0	0	0	0	112.7	Q127 E128 L141 H163	S116-Q127 PolarHBondContact OG-NE2 3.5Å; S116-E128 PolarHBondContact OG-O 2.83Å; S116-L141 PolarHBondContact N-O 3.23Å; S116-L141 WeakPolarHBondContact O-CB 3.45Å; S116-H163 PolarHBondContact O-CE1 2.91Å; S116-H163 PolarHBondContact O-NE2 2.77Å
117	H	98.5	Very high	98.4	Very high	15 Å²	15	44.9 Å²	44.9	7%	0.069	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	175.8	-168.7	48.5	-166.1	0	0	0	110.7	S63 Q65 H115 F119 Q127 E128 L141	S63-H117 WeakPolarHBondContact CB-CE1 3.28Å; S63-H117 PolarHBondContact OG-CE1 3.4Å; Q65-H117 PolarHBondContact OE1-CE1 2.82Å; Q65-H117 VanDerWaalsContact OE1-CE1 3.32Å; H115-H117 AromaticContact CD2-CE1 3.93Å; H115-H117 AromaticContact CD2-ND1 3.75Å; H115-H117 AromaticContact NE2-ND1 3.58Å; H117-F119 HydrophobicContact CB-CD2 4.36Å; H117-F119 AromaticContact CD2-CD2 3.7Å; H117-F119 AromaticContact CE1-CD2 3.71Å; H117-F119 AromaticContact CG-CD2 3.62Å; H117-F119 AromaticContact ND1-CD2 3.6Å; H117-F119 AromaticContact ND1-CE2 3.98Å; H117-F119 AromaticContact NE2-CD2 3.75Å; H117-F119 PolarHBondContact O-N 3.3Å; H117-Q127 WeakPolarHBondContact O-CG 3.42Å; H117-Q127 PolarHBondContact O-NE2 2.93Å; H117-E128 IonicContact CD2-OE1 2.72Å; H117-E128 IonicContact CE1-OE1 3.5Å; H117-E128 PolarHBondContact CE1-OE1 3.05Å; H117-E128 IonicContact NE2-OE1 3.91Å; H117-E128 PolarHBondContact NE2-OE1 2.9Å; H117-L141 HydrophobicContact CB-CD1 4.31Å
118	Y	98.1	Very high	98.4	Very high	185 Å²	185	44.9 Å²	44.9	73%	0.725	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	49.8	-178.4	-62.8	-67.8	0	0	0	113.8	T166	Y118-T166 HydrophobicContact CD1-CG2 4.39Å; Y118-T166 HydrophobicContact CD2-CG2 4.38Å; Y118-T166 HydrophobicContact CE1-CG2 3.86Å; Y118-T166 HydrophobicContact CE2-CG2 3.85Å
119	F	98.7	Very high	98.5	Very high	98 Å²	98	41.8 Å²	41.8	43%	0.43	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	151.1	166	-76.5	-90.1	0	0	0	110.3	H117 E128	H117-F119 HydrophobicContact CB-CD2 4.36Å; H117-F119 AromaticContact CD2-CD2 3.7Å; H117-F119 AromaticContact CE1-CD2 3.71Å; H117-F119 AromaticContact CG-CD2 3.62Å; H117-F119 AromaticContact ND1-CD2 3.6Å; H117-F119 AromaticContact ND1-CE2 3.98Å; H117-F119 AromaticContact NE2-CD2 3.75Å; H117-F119 PolarHBondContact O-N 3.3Å; F119-E128 HydrophobicContact CB-CB 3.98Å; F119-E128 WeakPolarHBondContact O-CB 3.27Å; F119-E128 PolarHBondContact O-N 2.74Å
120	A	98.6	Very high	98.5	Very high	55 Å²	55	37.9 Å²	37.9	46%	0.455	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.6	173.2	0	0	0	0	0	110.4	N126	A120-N126 CarbonylContact C-O 3.53Å; A120-N126 WeakPolarHBondContact CA-O 3.32Å
121	S	98.6	Very high	98.5	Very high	3 Å²	3	36 Å²	36	2%	0.021	19%	0.193	C	C	.	.			trans	-65.2	146.1	173.5	58	0	0	0	0	110.9	L123 S124 S125 N126 E186	S121-L123 PolarHBondContact O-N 2.92Å; S121-S124 PolarHBondContact OG-OG 3.18Å; S121-S125 WeakPolarHBondContact O-CA 3.29Å; S121-S125 PolarHBondContact O-N 3.46Å; S121-S125 PolarHBondContact OG-N 2.9Å; S121-N126 WeakPolarHBondContact CB-O 3.35Å; S121-N126 PolarHBondContact N-O 2.72Å; S121-N126 WeakPolarHBondContact OG-CA 3.32Å; S121-N126 PolarHBondContact OG-N 3.2Å; S121-N126 PolarHBondContact OG-O 2.69Å; S121-E186 WeakPolarHBondContact CB-OE1 3.22Å
122	P	97.8	Very high	98.6	Very high	38 Å²	38	38.3 Å²	38.3	25%	0.247	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.4	-165	-25.1	33.5	0	0	0	116.9	Y59 Y177 E186	Y59-P122 HydrophobicContact CD1-CG 3.4Å; Y59-P122 HydrophobicContact CE1-CG 3.66Å; Y59-P122 HydrophobicContact CG-CG 3.92Å; P122-Y177 HydrophobicContact CB-CE1 4.06Å; P122-Y177 HydrophobicContact CG-CE1 4.34Å; P122-E186 WeakPolarHBondContact CD-OE1 3.41Å
123	L	98.3	Very high	98.5	Very high	74 Å²	74	36 Å²	36	39%	0.387	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-42.9	-171.9	-53.9	-172.7	0	0	0	112.4	S121 E175 Y177 E186	S121-L123 PolarHBondContact O-N 2.92Å; L123-E175 HydrophobicContact CB-CB 3.98Å; L123-E175 HydrophobicContact CB-CG 4.41Å; L123-E175 HydrophobicContact CD1-CB 3.89Å; L123-Y177 HydrophobicContact CD1-CD1 3.77Å; L123-Y177 HydrophobicContact CD1-CD2 4.34Å; L123-Y177 HydrophobicContact CD1-CE1 3.77Å; L123-Y177 HydrophobicContact CD1-CE2 4.36Å; L123-Y177 HydrophobicContact CD1-CG 4.05Å; L123-Y177 HydrophobicContact CD2-CD1 3.9Å; L123-Y177 HydrophobicContact CD2-CE1 3.82Å; L123-Y177 HydrophobicContact CG-CD1 3.98Å; L123-Y177 HydrophobicContact CG-CE1 3.6Å; L123-E186 WeakPolarHBondContact CA-OE1 3.05Å; L123-E186 WeakPolarHBondContact CB-OE1 3.46Å; L123-E186 HydrophobicContact CD1-CB 4.07Å; L123-E186 HydrophobicContact CG-CB 4.45Å; L123-E186 PolarHBondContact N-OE1 3Å
124	S	97.8	Very high	98.4	Very high	32 Å²	32	42.8 Å²	42.8	22%	0.224	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.4	-172.8	65	0	0	0	0	114.5	S121 N126 E186 H188	S121-S124 PolarHBondContact OG-OG 3.18Å; S124-N126 WeakPolarHBondContact CB-ND2 3.2Å; S124-N126 PolarHBondContact O-N 3.45Å; S124-N126 VanDerWaalsContact O-N 3.13Å; S124-N126 PolarHBondContact OG-ND2 2.88Å; S124-E186 WeakPolarHBondContact CB-OE2 3.37Å; S124-E186 PolarHBondContact N-OE1 3.23Å; S124-E186 PolarHBondContact N-OE2 3.29Å; S124-E186 PolarHBondContact OG-OE2 2.97Å; S124-H188 PolarHBondContact OG-ND1 2.81Å
125	S	98	Very high	98.1	Very high	94 Å²	94	50.5 Å²	50.5	66%	0.657	26%	0.261	S	S	*	.			trans	58.1	18	-174.1	-54	0	0	0	0	114.6	S121	S121-S125 WeakPolarHBondContact O-CA 3.29Å; S121-S125 PolarHBondContact O-N 3.46Å; S121-S125 PolarHBondContact OG-N 2.9Å
126	N	98.5	Very high	97.7	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	26%	0.262	S	S	.	.	S	Bend	trans	-69	-176	163.2	-74.1	-56.9	0	0	0	111	A120 S121 S124 E128 H188	A120-N126 CarbonylContact C-O 3.53Å; A120-N126 WeakPolarHBondContact CA-O 3.32Å; S121-N126 WeakPolarHBondContact CB-O 3.35Å; S121-N126 PolarHBondContact N-O 2.72Å; S121-N126 WeakPolarHBondContact OG-CA 3.32Å; S121-N126 PolarHBondContact OG-N 3.2Å; S121-N126 PolarHBondContact OG-O 2.69Å; S124-N126 WeakPolarHBondContact CB-ND2 3.2Å; S124-N126 PolarHBondContact O-N 3.45Å; S124-N126 VanDerWaalsContact O-N 3.13Å; S124-N126 PolarHBondContact OG-ND2 2.88Å; N126-E128 PolarHBondContact O-N 2.85Å; N126-H188 HydrophobicContact CB-CB 3.95Å
127	Q	98.8	Very high	97.4	Very high	29 Å²	29	56.1 Å²	56.1	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127	177.4	-173.2	-173.5	-39.8	0	0	111.4	S116 H117 T166 H188 A189	S116-Q127 PolarHBondContact OG-NE2 3.5Å; H117-Q127 WeakPolarHBondContact O-CG 3.42Å; H117-Q127 PolarHBondContact O-NE2 2.93Å; Q127-T166 VanDerWaalsContact CD-OG1 3.28Å; Q127-T166 PolarHBondContact NE2-OG1 3.42Å; Q127-T166 PolarHBondContact OE1-OG1 2.78Å; Q127-H188 CarbonylContact O-C 3.11Å; Q127-H188 WeakPolarHBondContact O-CA 3.39Å; Q127-H188 VanDerWaalsContact O-CB 3.26Å; Q127-H188 WeakPolarHBondContact O-CB 3.42Å; Q127-A189 HydrophobicContact CB-CB 4.06Å; Q127-A189 WeakPolarHBondContact CB-O 3.43Å; Q127-A189 HydrophobicContact CG-CB 4.39Å; Q127-A189 PolarHBondContact N-O 2.92Å; Q127-A189 PolarHBondContact O-N 2.77Å
128	E	98.9	Very high	97.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.9	-178.8	-166.4	-169.6	88.3	0	0	111.9	Y59 G62 S63 S116 H117 F119 N126	Y59-E128 HydrophobicContact CD2-CG 4.12Å; Y59-E128 HydrophobicContact CE2-CG 3.85Å; G62-E128 WeakPolarHBondContact CA-OE2 3.36Å; S63-E128 WeakPolarHBondContact CB-OE1 3.44Å; S63-E128 PolarHBondContact N-OE2 3.02Å; S63-E128 PolarHBondContact OG-OE1 3.32Å; S116-E128 PolarHBondContact OG-O 2.83Å; H117-E128 IonicContact CD2-OE1 2.72Å; H117-E128 IonicContact CE1-OE1 3.5Å; H117-E128 PolarHBondContact CE1-OE1 3.05Å; H117-E128 IonicContact NE2-OE1 3.91Å; H117-E128 PolarHBondContact NE2-OE1 2.9Å; F119-E128 HydrophobicContact CB-CB 3.98Å; F119-E128 WeakPolarHBondContact O-CB 3.27Å; F119-E128 PolarHBondContact O-N 2.74Å; N126-E128 PolarHBondContact O-N 2.85Å
129	V	98.9	Very high	97.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	167	172.4	0	0	0	0	107.6	Y59 V68 L114 H115 W144 L170 V187 H188 A189	Y59-V129 WeakPolarHBondContact CE2-O 3.31Å; Y59-V129 PolarHBondContact OH-O 2.85Å; V68-V129 HydrophobicContact CB-CG1 4.31Å; V68-V129 HydrophobicContact CG1-CG1 4.25Å; L114-V129 HydrophobicContact CD1-CG1 3.47Å; L114-V129 VanDerWaalsContact CD1-CG1 3.47Å; L114-V129 HydrophobicContact CG-CG1 4.19Å; H115-V129 WeakPolarHBondContact O-CA 3.48Å; V129-W144 HydrophobicContact CG1-CZ2 4.43Å; V129-W144 HydrophobicContact CG2-CH2 4Å; V129-L170 HydrophobicContact CB-CD1 4.46Å; V129-L170 HydrophobicContact CG1-CD1 3.82Å; V129-L170 HydrophobicContact CG2-CD1 4.1Å; V129-V187 HydrophobicContact CB-CG1 4.25Å; V129-V187 HydrophobicContact CG1-CG1 4.09Å; V129-H188 VanDerWaalsContact CG2-C 3.45Å; V129-A189 HydrophobicContact CG2-CB 3.91Å
130	S	98.9	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	176.5	-172.9	58.9	0	0	0	0	110.9	Q65 V68 H115	Q65-S130 PolarHBondContact OE1-OG 3.24Å; V68-S130 WeakPolarHBondContact CG2-O 3.49Å; H115-S130 PolarHBondContact N-O 3.49Å; H115-S130 PolarHBondContact O-N 2.87Å
131	A	98.8	Very high	97	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.1	167.1	0	0	0	0	0	109.2	Q66 V68 R112 N113	Q66-A131 HydrophobicContact CB-CB 4Å; Q66-A131 WeakPolarHBondContact CB-O 3.48Å; Q66-A131 HydrophobicContact CG-CB 4.02Å; Q66-A131 PolarHBondContact O-N 3.37Å; V68-A131 HydrophobicContact CG2-CB 3.88Å; R112-A131 HydrophobicContact CB-CB 3.82Å; N113-A131 CarbonylContact O-C 3.58Å; N113-A131 VanDerWaalsContact O-CA 3.27Å; N113-A131 WeakPolarHBondContact O-CA 3.17Å
132	F	98.6	Very high	97	Very high	65 Å²	65	50.4 Å²	50.4	29%	0.285	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	166.1	-172.1	-179	-104.7	0	0	0	112.3	Q65 R112 N113 H115	Q65-F132 HydrophobicContact CG-CD2 4.3Å; Q65-F132 VanDerWaalsContact NE2-CD2 3.28Å; R112-F132 CarbonylContact C-O 3.43Å; R112-F132 WeakPolarHBondContact CA-O 3.43Å; R112-F132 WeakPolarHBondContact CB-O 3.12Å; N113-F132 PolarHBondContact N-O 3.13Å; N113-F132 PolarHBondContact O-N 2.76Å; H115-F132 HydrophobicContact CB-CB 3.53Å; H115-F132 AromaticContact CE1-CD1 3.53Å; H115-F132 AromaticContact CE1-CG 3.83Å; H115-F132 VanDerWaalsContact CG-CB 3.46Å; H115-F132 AromaticContact ND1-CD1 3.56Å; H115-F132 AromaticContact ND1-CG 3.79Å
133	G	97.4	Very high	97	Very high	13 Å²	13	49.3 Å²	49.3	13%	0.134	26%	0.262	C	S	.	.	S	Bend	trans	75.2	-163.7	179.7	0	0	0	0	0	113	R112 E137	R112-G133 WeakPolarHBondContact CG-O 3.38Å; R112-G133 PolarHBondContact NH1-O 2.63Å; G133-E137 CarbonylContact C-O 3.54Å; G133-E137 WeakPolarHBondContact CA-O 3.31Å
134	E	96	Very high	97	Very high	142 Å²	142	45.8 Å²	45.8	66%	0.664	24%	0.244	S	C	*	.	B	Isolated β-bridge	trans	-154.9	139.7	-175.8	-175.1	155.8	-135.9	0	0	110	G111 G136 E137	G111-E134 CarbonylContact O-C 3.56Å; E134-G136 PolarHBondContact O-N 2.86Å; E134-E137 PolarHBondContact N-O 2.82Å; E134-E137 WeakPolarHBondContact O-CA 2.98Å; E134-E137 WeakPolarHBondContact O-CB 3.45Å; E134-E137 PolarHBondContact O-N 2.99Å
135	E	93.5	Very high	97	Very high	162 Å²	162	45.5 Å²	45.5	76%	0.757	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	27.9	-179.9	-61.9	-171.8	171.2	0	0	116.1	G111 E137	G111-E135 CarbonylContact O-C 3.59Å; G111-E135 PolarHBondContact O-N 2.96Å; G111-E135 VanDerWaalsContact O-N 3.09Å; E135-E137 PolarHBondContact O-N 2.98Å
136	G	89.9	Confident	97.1	Very high	2 Å²	2	41 Å²	41	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-3	-176.9	0	0	0	0	0	113.8	G111 N113 E134	G111-G136 PolarHBondContact O-N 3.48Å; N113-G136 PolarHBondContact ND2-O 3.4Å; N113-G136 WeakPolarHBondContact OD1-CA 3.47Å; N113-G136 PolarHBondContact OD1-O 2.83Å; E134-G136 PolarHBondContact O-N 2.86Å
137	E	92.7	Very high	97.1	Very high	118 Å²	118	41.2 Å²	41.2	55%	0.551	21%	0.208	S	C	*	.	B	Isolated β-bridge	trans	-86.7	142.2	171.4	-60.1	-54	140.5	0	0	110.8	G133 E134 E135	G133-E137 CarbonylContact C-O 3.54Å; G133-E137 WeakPolarHBondContact CA-O 3.31Å; E134-E137 PolarHBondContact N-O 2.82Å; E134-E137 WeakPolarHBondContact O-CA 2.98Å; E134-E137 WeakPolarHBondContact O-CB 3.45Å; E134-E137 PolarHBondContact O-N 2.99Å; E135-E137 PolarHBondContact O-N 2.98Å
138	G	93.2	Very high	97	Very high	31 Å²	31	41 Å²	41	32%	0.32	21%	0.21	S	C	.	.			trans	178.8	-145.9	-176.5	0	0	0	0	0	109	D142	G138-D142 WeakPolarHBondContact CA-OD2 3.42Å
139	D	96.3	Very high	96.6	Very high	54 Å²	54	46.7 Å²	46.7	29%	0.289	25%	0.25	S	C	.	.			trans	-123.4	-161.5	-171.9	66.3	28.5	0	0	0	113.3	R104 H115 L141 D142	R104-D139 PolarHBondContact NH2-O 3.19Å; H115-D139 IonicContact CE1-OD1 3.48Å; H115-D139 PolarHBondContact CE1-OD1 3.05Å; H115-D139 IonicContact CE1-OD2 3.98Å; H115-D139 IonicContact ND1-OD1 2.7Å; D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 WeakPolarHBondContact OD1-CA 3.47Å; D139-L141 WeakPolarHBondContact OD1-CB 3.33Å; D139-L141 PolarHBondContact OD1-N 2.9Å; D139-D142 PolarHBondContact N-OD2 2.81Å
140	H	97	Very high	96.3	Very high	114 Å²	114	48.6 Å²	48.6	53%	0.528	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-79.3	-9	-178.4	63.4	-76.9	0	0	0	112.8	D142 E143 S165	H140-D142 VanDerWaalsContact C-N 3.26Å; H140-E143 WeakPolarHBondContact O-CB 3.5Å; H140-S165 PolarHBondContact O-OG 2.82Å
141	L	98.4	Very high	96.1	Very high	37 Å²	37	53.3 Å²	53.3	19%	0.194	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-88.1	3.7	175	-54.5	177.1	0	0	0	112.2	H115 S116 H117 D139 E143 H163	H115-L141 WeakPolarHBondContact CA-O 3.38Å; H115-L141 WeakPolarHBondContact CE1-CB 3.42Å; H115-L141 PolarHBondContact ND1-O 2.84Å; S116-L141 PolarHBondContact N-O 3.23Å; S116-L141 WeakPolarHBondContact O-CB 3.45Å; H117-L141 HydrophobicContact CB-CD1 4.31Å; D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 WeakPolarHBondContact OD1-CA 3.47Å; D139-L141 WeakPolarHBondContact OD1-CB 3.33Å; D139-L141 PolarHBondContact OD1-N 2.9Å; L141-E143 VanDerWaalsContact C-N 3.35Å; L141-H163 PolarHBondContact O-NE2 3.03Å
142	D	98.5	Very high	96	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-91.3	-0.7	169.2	-61.7	-25.3	0	0	0	112.5	R104 N113 L114 H115 G138 D139 H140 W144	R104-D142 HydrophobicContact CG-CB 4.17Å; N113-D142 HydrophobicContact CB-CB 3.76Å; N113-D142 VanDerWaalsContact CB-CG 3.41Å; N113-D142 PolarHBondContact ND2-OD2 3.4Å; L114-D142 WeakPolarHBondContact O-CA 3.45Å; H115-D142 IonicContact CE1-OD1 3.61Å; H115-D142 IonicContact CG-OD1 2.87Å; H115-D142 IonicContact ND1-OD1 3.81Å; H115-D142 PolarHBondContact ND1-OD1 3.47Å; G138-D142 WeakPolarHBondContact CA-OD2 3.42Å; D139-D142 PolarHBondContact N-OD2 2.81Å; H140-D142 VanDerWaalsContact C-N 3.26Å; D142-W144 VanDerWaalsContact O-CD1 3.23Å
143	E	98.4	Very high	96	Very high	15 Å²	15	51.6 Å²	51.6	7%	0.07	30%	0.297	C	S	.	.			trans	-91.2	120.8	-168.8	-69.4	-165.2	-178.4	0	0	112.3	T86 T102 H140 L141 H163 K164	T86-E143 VanDerWaalsContact CB-OE1 3.3Å; T86-E143 WeakPolarHBondContact CB-OE1 3.5Å; T86-E143 HydrophobicContact CG2-CG 3.79Å; T102-E143 HydrophobicContact CG2-CB 3.61Å; T102-E143 HydrophobicContact CG2-CG 4.18Å; H140-E143 WeakPolarHBondContact O-CB 3.5Å; L141-E143 VanDerWaalsContact C-N 3.35Å; E143-H163 PolarHBondContact O-CD2 2.91Å; E143-K164 HydrophobicContact CB-CB 4.02Å; E143-K164 HydrophobicContact CB-CD 4.05Å; E143-K164 VanDerWaalsContact O-CB 3.31Å; E143-K164 WeakPolarHBondContact O-CB 3.39Å; E143-K164 PolarHBondContact O-N 3.2Å; E143-K164 WeakPolarHBondContact OE2-CD 3.41Å; E143-K164 WeakPolarHBondContact OE2-CE 3.22Å; E143-K164 IonicContact OE2-NZ 3.91Å; E143-K164 PolarHBondContact OE2-NZ 3.13Å
144	W	98.8	Very high	95.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.4	180	-62.4	81.7	0	0	0	111.3	T102 I103 L114 V129 D142 F161 R162 H163 L170	T102-W144 CarbonylContact C-O 3.52Å; T102-W144 WeakPolarHBondContact CA-O 3.23Å; I103-W144 WeakPolarHBondContact CG1-O 3.29Å; I103-W144 PolarHBondContact N-O 3.09Å; I103-W144 PolarHBondContact O-N 3.22Å; L114-W144 HydrophobicContact CD2-CD2 4.12Å; L114-W144 HydrophobicContact CD2-CG 4.49Å; L114-W144 HydrophobicContact CD2-CZ2 3.89Å; L114-W144 HydrophobicContact CG-CZ2 3.84Å; L114-W144 PolarHBondContact O-NE1 2.81Å; V129-W144 HydrophobicContact CG1-CZ2 4.43Å; V129-W144 HydrophobicContact CG2-CH2 4Å; D142-W144 VanDerWaalsContact O-CD1 3.23Å; W144-F161 HydrophobicContact CB-CB 4.43Å; W144-F161 HydrophobicContact CD2-CB 4.49Å; W144-F161 HydrophobicContact CE3-CB 3.83Å; W144-R162 CarbonylContact C-O 3.57Å; W144-R162 WeakPolarHBondContact CA-O 3.41Å; W144-H163 HydrophobicContact CD2-CB 4.3Å; W144-H163 AromaticContact CE2-CD2 3.9Å; W144-H163 HydrophobicContact CE3-CB 3.83Å; W144-H163 VanDerWaalsContact CE3-N 3.3Å; W144-H163 HydrophobicContact CH2-CB 3.84Å; W144-H163 HydrophobicContact CZ2-CB 4.3Å; W144-H163 AromaticContact CZ2-CD2 3.99Å; W144-H163 HydrophobicContact CZ3-CB 3.57Å; W144-L170 HydrophobicContact CE3-CB 4.38Å; W144-L170 HydrophobicContact CH2-CB 4.31Å; W144-L170 HydrophobicContact CH2-CD1 4.13Å; W144-L170 HydrophobicContact CZ3-CB 3.76Å; W144-L170 HydrophobicContact CZ3-CD1 4.42Å
145	T	98.5	Very high	95.8	Very high	27 Å²	27	51.4 Å²	51.4	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.3	175.3	-62.1	0	0	0	0	110.4	T102 Q147 R162	T102-T145 PolarHBondContact OG1-OG1 3.48Å; T145-Q147 PolarHBondContact O-N 3.28Å; T145-R162 PolarHBondContact N-O 3.43Å; T145-R162 PolarHBondContact O-N 3.48Å
146	V	98.4	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.4	177.2	-174.7	0	0	0	0	109.8	V97 G100 Q101 I103 W153 V159 F161	V97-V146 HydrophobicContact CG1-CG2 4.07Å; G100-V146 WeakPolarHBondContact CA-O 3.28Å; G100-V146 PolarHBondContact N-O 3.15Å; Q101-V146 PolarHBondContact O-N 2.91Å; I103-V146 HydrophobicContact CD1-CG2 3.55Å; I103-V146 HydrophobicContact CG1-CG2 3.81Å; V146-W153 HydrophobicContact CG1-CB 4.32Å; V146-W153 HydrophobicContact CG1-CD2 4.02Å; V146-W153 HydrophobicContact CG1-CE3 3.85Å; V146-W153 HydrophobicContact CG1-CG 4.24Å; V146-W153 HydrophobicContact CG2-CE3 4.29Å; V146-W153 HydrophobicContact CG2-CZ3 4.48Å; V146-V159 HydrophobicContact CG1-CB 4.41Å; V146-F161 HydrophobicContact CG2-CD1 4.27Å; V146-F161 HydrophobicContact CG2-CE1 4.04Å
147	Q	98.4	Very high	96	Very high	55 Å²	55	51.5 Å²	51.5	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.2	177.4	-58.1	-169.4	-31.4	0	0	110.6	T145 V159 R160 R162	T145-Q147 PolarHBondContact O-N 3.28Å; Q147-V159 WeakPolarHBondContact O-CA 3.42Å; Q147-V159 WeakPolarHBondContact O-CB 3.37Å; Q147-R160 HydrophobicContact CB-CB 4.15Å; Q147-R160 PolarHBondContact N-O 2.64Å; Q147-R160 PolarHBondContact O-N 2.89Å; Q147-R162 HydrophobicContact CG-CB 4.34Å
148	C	96.9	Very high	96.2	Very high	26 Å²	26	48.2 Å²	48.2	18%	0.176	28%	0.279	C	S	.	.			trans	-143.5	166.9	177	44.8	0	0	0	0	111.1	C99 V159	C99-C148 WeakPolarHBondContact CA-SG 3.38Å; C99-C148 HydrophobicContact CB-CB 4.17Å; C99-C148 WeakPolarHBondContact CB-SG 3.49Å; C99-C148 WeakPolarHBondContact SG-CB 3.21Å; C99-C148 CovalentContact SG-SG 2.02Å; C99-C148 PolarHBondContact SG-SG 3.33Å; C148-V159 HydrophobicContact CB-CG1 3.72Å
149	S	91.3	Very high	96.5	Very high	118 Å²	118	46.8 Å²	46.8	83%	0.825	26%	0.264	S	S	*	.	S	Bend	trans	-90.7	-9.5	-165.2	-38	0	0	0	0	113.6	E157	S149-E157 WeakPolarHBondContact CB-OE1 3.45Å; S149-E157 PolarHBondContact N-OE1 3.41Å; S149-E157 PolarHBondContact OG-OE1 2.82Å
150	G	92.6	Very high	96.6	Very high	41 Å²	41	47 Å²	47	42%	0.423	26%	0.261	S	S	.	.	S	Bend	trans	-108.4	-160	-177.7	0	0	0	0	0	114.5	C99	C99-G150 WeakPolarHBondContact CB-O 3.31Å; C99-G150 VanDerWaalsContact SG-C 3.58Å; C99-G150 PolarHBondContact SG-O 2.52Å
151	S	95.4	Very high	96.7	Very high	98 Å²	98	41.6 Å²	41.6	69%	0.685	24%	0.236	S	C	*	.	S	Bend	trans	-84.2	-29.9	171.8	55.4	0	0	0	0	112.8	K98 C99	K98-S151 WeakPolarHBondContact CA-O 3.37Å; C99-S151 PolarHBondContact N-O 3.34Å
152	V	96.6	Very high	96.7	Very high	31 Å²	31	44 Å²	44	19%	0.188	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-133.8	151.7	-179.5	-61.9	0	0	0	0	110.4	F34 P96 V97 C99 K154	F34-V152 HydrophobicContact CB-CG2 4.1Å; P96-V152 HydrophobicContact CB-CB 4.29Å; P96-V152 HydrophobicContact CB-CG1 3.84Å; V97-V152 WeakPolarHBondContact O-CA 3.27Å; C99-V152 VanDerWaalsContact SG-C 3.53Å; V152-K154 PolarHBondContact O-N 3.42Å; V152-K154 VanDerWaalsContact O-N 3.15Å
153	W	97.1	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.			trans	-71.2	106	174.7	178.9	9.9	0	0	0	109.9	F34 V35 I41 L43 I83 V97 I103 V146 V159 F161 L201	F34-W153 VanDerWaalsContact CA-O 3.31Å; F34-W153 WeakPolarHBondContact CA-O 3.4Å; F34-W153 WeakPolarHBondContact CB-O 3.36Å; V35-W153 HydrophobicContact CB-CB 4.4Å; V35-W153 HydrophobicContact CB-CD2 3.85Å; V35-W153 HydrophobicContact CB-CE3 3.86Å; V35-W153 HydrophobicContact CB-CG 4.11Å; V35-W153 HydrophobicContact CB-CZ3 4.4Å; V35-W153 HydrophobicContact CG1-CD2 4.25Å; V35-W153 HydrophobicContact CG1-CE3 3.85Å; V35-W153 HydrophobicContact CG1-CH2 4.33Å; V35-W153 HydrophobicContact CG1-CZ3 3.9Å; V35-W153 HydrophobicContact CG2-CB 4.4Å; V35-W153 HydrophobicContact CG2-CD2 3.52Å; V35-W153 HydrophobicContact CG2-CE3 4Å; V35-W153 HydrophobicContact CG2-CG 3.71Å; V35-W153 HydrophobicContact CG2-CZ2 4.15Å; V35-W153 HydrophobicContact CG2-CZ3 4.49Å; V35-W153 PolarHBondContact N-O 2.65Å; I41-W153 HydrophobicContact CD1-CH2 3.82Å; L43-W153 HydrophobicContact CD2-CH2 4.13Å; L43-W153 HydrophobicContact CD2-CZ2 4.15Å; I83-W153 HydrophobicContact CD1-CH2 4.4Å; I83-W153 HydrophobicContact CD1-CZ3 3.85Å; V97-W153 HydrophobicContact CB-CB 4.48Å; V97-W153 HydrophobicContact CB-CE3 4.37Å; V97-W153 HydrophobicContact CG1-CE3 4.16Å; V97-W153 PolarHBondContact O-N 3.45Å; I103-W153 HydrophobicContact CD1-CZ3 4.49Å; V146-W153 HydrophobicContact CG1-CB 4.32Å; V146-W153 HydrophobicContact CG1-CD2 4.02Å; V146-W153 HydrophobicContact CG1-CE3 3.85Å; V146-W153 HydrophobicContact CG1-CG 4.24Å; V146-W153 HydrophobicContact CG2-CE3 4.29Å; V146-W153 HydrophobicContact CG2-CZ3 4.48Å; W153-V159 HydrophobicContact CD2-CG1 4.34Å; W153-V159 HydrophobicContact CG-CG1 4.04Å; W153-V159 HydrophobicContact CZ2-CG2 3.82Å; W153-V159 VanDerWaalsContact NE1-CG1 3.31Å; W153-F161 AromaticContact CH2-CE1 3.97Å; W153-F161 HydrophobicContact CH2-CE1 3.97Å; W153-F161 AromaticContact CH2-CZ 3.51Å; W153-F161 HydrophobicContact CH2-CZ 3.51Å; W153-F161 HydrophobicContact CZ2-CZ 4Å; W153-F161 HydrophobicContact CZ3-CE1 4.02Å; W153-F161 HydrophobicContact CZ3-CZ 4.05Å; W153-L201 HydrophobicContact CH2-CD2 4.24Å; W153-L201 HydrophobicContact CZ2-CD2 3.89Å; W153-L201 HydrophobicContact CZ2-CG 4.03Å
154	K	95.9	Very high	96.7	Very high	102 Å²	102	48 Å²	48	44%	0.443	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-78	145.6	175.6	-65.1	-178.7	-178.4	178	0	111.4	S33 V152 E156 E157	S33-K154 CarbonylContact O-C 3.58Å; S33-K154 VanDerWaalsContact O-CA 3.25Å; S33-K154 WeakPolarHBondContact O-CA 3.5Å; V152-K154 PolarHBondContact O-N 3.42Å; V152-K154 VanDerWaalsContact O-N 3.15Å; K154-E156 VanDerWaalsContact C-N 3.27Å; K154-E156 PolarHBondContact O-N 3.34Å; K154-E157 HydrophobicContact CB-CB 4.18Å; K154-E157 PolarHBondContact O-N 2.96Å
155	R	94.3	Very high	96.7	Very high	48 Å²	48	50.1 Å²	50.1	18%	0.181	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.1	-173.2	-74.4	-166.8	-80	156.3	-0.7	113	E31 L32 S33 V35 L201	E31-R155 IonicContact OE2-CZ 3.26Å; E31-R155 VanDerWaalsContact OE2-CZ 3.26Å; E31-R155 IonicContact OE2-NH1 2.86Å; E31-R155 PolarHBondContact OE2-NH1 3.32Å; E31-R155 IonicContact OE2-NH2 2.71Å; E31-R155 PolarHBondContact OE2-NH2 3.48Å; L32-R155 PolarHBondContact O-NE 3.05Å; L32-R155 PolarHBondContact O-NH2 3.45Å; S33-R155 PolarHBondContact O-N 2.6Å; V35-R155 HydrophobicContact CG2-CG 4.18Å; R155-L201 HydrophobicContact CB-CD1 4.13Å; R155-L201 HydrophobicContact CG-CD1 3.98Å
156	E	92.1	Very high	96.7	Very high	130 Å²	130	49.7 Å²	49.7	61%	0.607	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10	-179.1	44.9	-76.6	169	0	0	114.2	K154	K154-E156 VanDerWaalsContact C-N 3.27Å; K154-E156 PolarHBondContact O-N 3.34Å
157	E	94.8	Very high	96.7	Very high	37 Å²	37	54.3 Å²	54.3	17%	0.173	30%	0.296	C	S	.	.	S	Bend	trans	-82.5	142.2	-179.8	-173.5	176.8	-176	0	0	111.7	S149 K154 V159	S149-E157 WeakPolarHBondContact CB-OE1 3.45Å; S149-E157 PolarHBondContact N-OE1 3.41Å; S149-E157 PolarHBondContact OG-OE1 2.82Å; K154-E157 HydrophobicContact CB-CB 4.18Å; K154-E157 PolarHBondContact O-N 2.96Å; E157-V159 HydrophobicContact CG-CG1 4.44Å
158	S	97.5	Very high	96.7	Very high	48 Å²	48	51.8 Å²	51.8	34%	0.336	29%	0.285	S	S	.	.			trans	-85.3	132.3	166.5	-59.3	0	0	0	0	110.2	W199	S158-W199 CarbonylContact C-O 3.57Å; S158-W199 VanDerWaalsContact CA-O 3.29Å; S158-W199 WeakPolarHBondContact CA-O 3.4Å
159	V	98.5	Very high	96.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-123.4	169.2	-174.1	-56	0	0	0	0	111.2	V146 Q147 C148 W153 E157 F161 W199	V146-V159 HydrophobicContact CG1-CB 4.41Å; Q147-V159 WeakPolarHBondContact O-CA 3.42Å; Q147-V159 WeakPolarHBondContact O-CB 3.37Å; C148-V159 HydrophobicContact CB-CG1 3.72Å; W153-V159 HydrophobicContact CD2-CG1 4.34Å; W153-V159 HydrophobicContact CG-CG1 4.04Å; W153-V159 HydrophobicContact CZ2-CG2 3.82Å; W153-V159 VanDerWaalsContact NE1-CG1 3.31Å; E157-V159 HydrophobicContact CG-CG1 4.44Å; V159-F161 HydrophobicContact CG2-CE1 4.47Å; V159-F161 HydrophobicContact CG2-CE2 3.84Å; V159-F161 HydrophobicContact CG2-CZ 3.76Å; V159-W199 PolarHBondContact N-O 2.83Å; V159-W199 PolarHBondContact O-N 2.91Å
160	R	98.8	Very high	97.1	Very high	59 Å²	59	44.9 Å²	44.9	22%	0.223	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.5	165.2	-52.2	-169.7	166.1	77.2	2.2	110.1	Q147 L169 S194 S197 L198	Q147-R160 HydrophobicContact CB-CB 4.15Å; Q147-R160 PolarHBondContact N-O 2.64Å; Q147-R160 PolarHBondContact O-N 2.89Å; R160-L169 HydrophobicContact CB-CD2 4.15Å; R160-S194 PolarHBondContact NH2-O 2.73Å; R160-S197 WeakPolarHBondContact CG-O 3.31Å; R160-S197 PolarHBondContact NE-OG 2.92Å; R160-L198 HydrophobicContact CG-CD2 4.06Å
161	F	98.8	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.6	170	-60.2	-82.6	0	0	0	107.8	L43 I103 L105 W144 V146 W153 V159 L169 L170 W199	L43-F161 HydrophobicContact CD1-CD2 4.43Å; L43-F161 HydrophobicContact CD1-CE2 3.64Å; L43-F161 HydrophobicContact CD1-CZ 3.79Å; L43-F161 HydrophobicContact CD2-CE2 3.82Å; L43-F161 HydrophobicContact CD2-CZ 3.83Å; L43-F161 HydrophobicContact CG-CE2 4.37Å; L43-F161 HydrophobicContact CG-CZ 4.49Å; I103-F161 HydrophobicContact CD1-CE1 4.26Å; L105-F161 HydrophobicContact CD1-CD1 4.16Å; L105-F161 HydrophobicContact CD1-CE1 4.16Å; W144-F161 HydrophobicContact CB-CB 4.43Å; W144-F161 HydrophobicContact CD2-CB 4.49Å; W144-F161 HydrophobicContact CE3-CB 3.83Å; V146-F161 HydrophobicContact CG2-CD1 4.27Å; V146-F161 HydrophobicContact CG2-CE1 4.04Å; W153-F161 AromaticContact CH2-CE1 3.97Å; W153-F161 HydrophobicContact CH2-CE1 3.97Å; W153-F161 AromaticContact CH2-CZ 3.51Å; W153-F161 HydrophobicContact CH2-CZ 3.51Å; W153-F161 HydrophobicContact CZ2-CZ 4Å; W153-F161 HydrophobicContact CZ3-CE1 4.02Å; W153-F161 HydrophobicContact CZ3-CZ 4.05Å; V159-F161 HydrophobicContact CG2-CE1 4.47Å; V159-F161 HydrophobicContact CG2-CE2 3.84Å; V159-F161 HydrophobicContact CG2-CZ 3.76Å; F161-L169 WeakPolarHBondContact O-CA 3.48Å; F161-L170 HydrophobicContact CB-CB 4.09Å; F161-L170 HydrophobicContact CB-CD2 4.4Å; F161-L170 HydrophobicContact CD2-CD2 4.11Å; F161-L170 PolarHBondContact O-N 2.75Å; F161-W199 HydrophobicContact CD2-CB 4.32Å; F161-W199 HydrophobicContact CD2-CG 4.22Å; F161-W199 HydrophobicContact CE2-CB 3.89Å; F161-W199 HydrophobicContact CE2-CG 4.22Å
162	R	98.8	Very high	97.6	Very high	88 Å²	88	38.3 Å²	38.3	33%	0.332	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.3	173.9	179.8	178.3	-74.8	172.8	2.1	108.8	W144 T145 Q147 K164 D167 G168 L169	W144-R162 CarbonylContact C-O 3.57Å; W144-R162 WeakPolarHBondContact CA-O 3.41Å; T145-R162 PolarHBondContact N-O 3.43Å; T145-R162 PolarHBondContact O-N 3.48Å; Q147-R162 HydrophobicContact CG-CB 4.34Å; R162-K164 PolarHBondContact O-N 2.96Å; R162-D167 WeakPolarHBondContact CD-OD1 3.4Å; R162-G168 CarbonylContact C-O 3.6Å; R162-L169 HydrophobicContact CB-CD2 3.76Å; R162-L169 HydrophobicContact CG-CD2 4.26Å
163	H	98.8	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	123.2	171.4	-174.2	-122.9	0	0	0	109.3	S116 L141 E143 W144 S165 T166 D167 G168	S116-H163 PolarHBondContact O-CE1 2.91Å; S116-H163 PolarHBondContact O-NE2 2.77Å; L141-H163 PolarHBondContact O-NE2 3.03Å; E143-H163 PolarHBondContact O-CD2 2.91Å; W144-H163 HydrophobicContact CD2-CB 4.3Å; W144-H163 AromaticContact CE2-CD2 3.9Å; W144-H163 HydrophobicContact CE3-CB 3.83Å; W144-H163 VanDerWaalsContact CE3-N 3.3Å; W144-H163 HydrophobicContact CH2-CB 3.84Å; W144-H163 HydrophobicContact CZ2-CB 4.3Å; W144-H163 AromaticContact CZ2-CD2 3.99Å; W144-H163 HydrophobicContact CZ3-CB 3.57Å; H163-S165 PolarHBondContact O-N 2.89Å; H163-T166 WeakPolarHBondContact ND1-CG2 3.26Å; H163-T166 PolarHBondContact ND1-N 3.09Å; H163-T166 PolarHBondContact ND1-OG1 2.91Å; H163-D167 VanDerWaalsContact O-CA 3.26Å; H163-D167 WeakPolarHBondContact O-CA 3.45Å; H163-D167 PolarHBondContact O-N 3.28Å; H163-G168 WeakPolarHBondContact CB-O 3.35Å; H163-G168 PolarHBondContact N-O 2.98Å
164	K	98.2	Very high	97.6	Very high	100 Å²	100	39.6 Å²	39.6	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.7	-168.6	-177	178.9	172.6	-176.5	0	112.9	T102 E143 R162	T102-K164 HydrophobicContact CG2-CD 3.79Å; E143-K164 HydrophobicContact CB-CB 4.02Å; E143-K164 HydrophobicContact CB-CD 4.05Å; E143-K164 VanDerWaalsContact O-CB 3.31Å; E143-K164 WeakPolarHBondContact O-CB 3.39Å; E143-K164 PolarHBondContact O-N 3.2Å; E143-K164 WeakPolarHBondContact OE2-CD 3.41Å; E143-K164 WeakPolarHBondContact OE2-CE 3.22Å; E143-K164 IonicContact OE2-NZ 3.91Å; E143-K164 PolarHBondContact OE2-NZ 3.13Å; R162-K164 PolarHBondContact O-N 2.96Å
165	S	98.3	Very high	97.7	Very high	44 Å²	44	38 Å²	38	31%	0.308	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.1	-171.4	-56.4	0	0	0	0	113.5	H140 H163	H140-S165 PolarHBondContact O-OG 2.82Å; H163-S165 PolarHBondContact O-N 2.89Å
166	T	98.4	Very high	97.9	Very high	17 Å²	17	41 Å²	41	10%	0.104	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-0.8	-176.7	73.1	0	0	0	0	114.3	Y118 Q127 H163 G168	Y118-T166 HydrophobicContact CD1-CG2 4.39Å; Y118-T166 HydrophobicContact CD2-CG2 4.38Å; Y118-T166 HydrophobicContact CE1-CG2 3.86Å; Y118-T166 HydrophobicContact CE2-CG2 3.85Å; Q127-T166 VanDerWaalsContact CD-OG1 3.28Å; Q127-T166 PolarHBondContact NE2-OG1 3.42Å; Q127-T166 PolarHBondContact OE1-OG1 2.78Å; H163-T166 WeakPolarHBondContact ND1-CG2 3.26Å; H163-T166 PolarHBondContact ND1-N 3.09Å; H163-T166 PolarHBondContact ND1-OG1 2.91Å; T166-G168 PolarHBondContact O-N 2.78Å; T166-G168 PolarHBondContact OG1-N 2.76Å
167	D	98.6	Very high	98.2	Very high	98 Å²	98	35.9 Å²	35.9	52%	0.524	18%	0.183	S	C	.	.			trans	59.1	6.2	-173.2	-67.5	-57.6	0	0	0	116	R162 H163	R162-D167 WeakPolarHBondContact CD-OD1 3.4Å; H163-D167 VanDerWaalsContact O-CA 3.26Å; H163-D167 WeakPolarHBondContact O-CA 3.45Å; H163-D167 PolarHBondContact O-N 3.28Å
168	G	98.7	Very high	98.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67.2	135.8	179.1	0	0	0	0	0	112.5	R162 H163 T166	R162-G168 CarbonylContact C-O 3.6Å; H163-G168 WeakPolarHBondContact CB-O 3.35Å; H163-G168 PolarHBondContact N-O 2.98Å; T166-G168 PolarHBondContact O-N 2.78Å; T166-G168 PolarHBondContact OG1-N 2.76Å
169	L	98.9	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.9	178.4	-63.8	167.9	0	0	0	110.3	R160 F161 R162 S171 A189 M190 P193	R160-L169 HydrophobicContact CB-CD2 4.15Å; F161-L169 WeakPolarHBondContact O-CA 3.48Å; R162-L169 HydrophobicContact CB-CD2 3.76Å; R162-L169 HydrophobicContact CG-CD2 4.26Å; L169-S171 PolarHBondContact O-N 3.19Å; L169-S171 PolarHBondContact O-OG 3.34Å; L169-A189 VanDerWaalsContact O-CA 3.31Å; L169-A189 WeakPolarHBondContact O-CA 3.26Å; L169-M190 WeakPolarHBondContact CB-O 3.41Å; L169-M190 PolarHBondContact N-O 2.85Å; L169-M190 PolarHBondContact O-N 3.4Å; L169-P193 VanDerWaalsContact CD1-CA 3.41Å; L169-P193 HydrophobicContact CD1-CB 3.75Å
170	L	98.9	Very high	98.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	121.6	175.3	-174.5	68.4	0	0	0	110.1	L52 L114 V129 W144 F161 V187 S197 W199	L52-L170 HydrophobicContact CD1-CD2 4.36Å; L52-L170 HydrophobicContact CD2-CD2 4.31Å; L114-L170 HydrophobicContact CD2-CD1 4.2Å; L114-L170 HydrophobicContact CD2-CD2 3.97Å; V129-L170 HydrophobicContact CB-CD1 4.46Å; V129-L170 HydrophobicContact CG1-CD1 3.82Å; V129-L170 HydrophobicContact CG2-CD1 4.1Å; W144-L170 HydrophobicContact CE3-CB 4.38Å; W144-L170 HydrophobicContact CH2-CB 4.31Å; W144-L170 HydrophobicContact CH2-CD1 4.13Å; W144-L170 HydrophobicContact CZ3-CB 3.76Å; W144-L170 HydrophobicContact CZ3-CD1 4.42Å; F161-L170 HydrophobicContact CB-CB 4.09Å; F161-L170 HydrophobicContact CB-CD2 4.4Å; F161-L170 HydrophobicContact CD2-CD2 4.11Å; F161-L170 PolarHBondContact O-N 2.75Å; L170-V187 HydrophobicContact CD1-CG1 3.43Å; L170-V187 VanDerWaalsContact CD1-CG1 3.43Å; L170-V187 HydrophobicContact CG-CG1 4.33Å; L170-S197 VanDerWaalsContact O-CA 3.31Å; L170-S197 WeakPolarHBondContact O-CA 3.38Å; L170-W199 HydrophobicContact CD2-CD2 4.38Å; L170-W199 HydrophobicContact CD2-CZ2 3.98Å; L170-W199 HydrophobicContact CG-CZ2 3.78Å; L170-W199 PolarHBondContact O-NE1 3.49Å
171	S	98.9	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.1	-166.9	-61.7	0	0	0	0	112.7	L169 V187 H188 H196 S197	L169-S171 PolarHBondContact O-N 3.19Å; L169-S171 PolarHBondContact O-OG 3.34Å; S171-V187 WeakPolarHBondContact O-CA 3.48Å; S171-H188 PolarHBondContact N-O 2.92Å; S171-H188 PolarHBondContact O-N 2.7Å; S171-H188 VanDerWaalsContact O-N 3.09Å; S171-H196 WeakPolarHBondContact CA-O 3.32Å; S171-S197 WeakPolarHBondContact OG-CB 3.23Å
172	V	98.7	Very high	98	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.282	C	S	.	.			trans	-136.4	129.6	169.1	177.5	0	0	0	0	108	N45 H48 V50 M185 V187 H196 W199	N45-V172 HydrophobicContact CB-CG2 4.43Å; H48-V172 HydrophobicContact CB-CG1 4.14Å; H48-V172 PolarHBondContact CD2-O 2.84Å; H48-V172 PolarHBondContact NE2-O 3.27Å; V50-V172 HydrophobicContact CG2-CG1 4.13Å; V50-V172 HydrophobicContact CG2-CG2 4.22Å; V172-M185 HydrophobicContact CG1-CB 3.94Å; V172-M185 HydrophobicContact CG1-SD 3.94Å; V172-V187 HydrophobicContact CG2-CG2 3.79Å; V172-H196 PolarHBondContact N-O 2.9Å; V172-H196 VanDerWaalsContact O-CB 3.25Å; V172-H196 WeakPolarHBondContact O-CB 3.47Å; V172-H196 PolarHBondContact O-ND1 2.71Å; V172-W199 HydrophobicContact CG2-CH2 3.79Å; V172-W199 HydrophobicContact CG2-CZ2 3.95Å
173	T	96.8	Very high	97.9	Very high	35 Å²	35	52.7 Å²	52.7	22%	0.215	28%	0.28	C	S	.	.			trans	-110.5	-10.7	177	50.7	0	0	0	0	115.1	H48 E175 H188 M190 H196	H48-T173 VanDerWaalsContact CE1-C 3.49Å; H48-T173 PolarHBondContact CE1-O 3.2Å; H48-T173 VanDerWaalsContact NE2-C 3.31Å; H48-T173 WeakPolarHBondContact NE2-CA 3.41Å; H48-T173 PolarHBondContact NE2-O 2.64Å; T173-E175 VanDerWaalsContact C-OE2 3.3Å; T173-E175 WeakPolarHBondContact CB-OE2 3.41Å; T173-E175 VanDerWaalsContact OG1-CD 3.25Å; T173-E175 PolarHBondContact OG1-OE1 2.88Å; T173-E175 PolarHBondContact OG1-OE2 2.94Å; T173-H188 PolarHBondContact OG1-CE1 2.71Å; T173-H188 PolarHBondContact OG1-NE2 3.47Å; T173-M190 HydrophobicContact CG2-SD 3.71Å; T173-H196 HydrophobicContact CG2-CB 4.3Å
174	G	97.2	Very high	97.9	Very high	23 Å²	23	54.3 Å²	54.3	24%	0.237	29%	0.288	C	S	.	.	S	Bend	trans	116.2	-3.6	166.2	0	0	0	0	0	115.1
175	E	98.6	Very high	97.9	Very high	68 Å²	68	51 Å²	51	32%	0.318	27%	0.274	S	S	.	.			trans	-58	137.1	170.2	-62.6	72.8	-165.7	0	0	109.4	L123 T173 M185 E186	L123-E175 HydrophobicContact CB-CB 3.98Å; L123-E175 HydrophobicContact CB-CG 4.41Å; L123-E175 HydrophobicContact CD1-CB 3.89Å; T173-E175 VanDerWaalsContact C-OE2 3.3Å; T173-E175 WeakPolarHBondContact CB-OE2 3.41Å; T173-E175 VanDerWaalsContact OG1-CD 3.25Å; T173-E175 PolarHBondContact OG1-OE1 2.88Å; T173-E175 PolarHBondContact OG1-OE2 2.94Å; E175-M185 CarbonylContact O-C 3.5Å; E175-M185 VanDerWaalsContact O-CA 3.23Å; E175-M185 WeakPolarHBondContact O-CA 3.4Å; E175-E186 HydrophobicContact CB-CB 4.34Å; E175-E186 PolarHBondContact O-N 3.25Å
176	Q	98.4	Very high	98	Very high	111 Å²	111	48.9 Å²	48.9	52%	0.519	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-123.2	140.8	-174.7	-74.6	171.1	54.1	0	0	111.2	Q184 M185	Q176-Q184 CarbonylContact C-O 3.6Å; Q176-Q184 VanDerWaalsContact CA-O 3.32Å; Q176-Q184 WeakPolarHBondContact CA-O 3.32Å; Q176-M185 HydrophobicContact CG-CG 3.77Å
177	Y	98.4	Very high	98	Very high	24 Å²	24	48 Å²	48	9%	0.094	26%	0.255	C	S	.	.			trans	-74.9	149.7	174.2	-66.1	-77	0	0	0	111.8	Y59 T69 P122 L123 I181 H182 G183 Q184 E186	Y59-Y177 WeakPolarHBondContact CE1-OH 3.44Å; T69-Y177 HydrophobicContact CG2-CD2 4.12Å; T69-Y177 HydrophobicContact CG2-CE2 3.85Å; P122-Y177 HydrophobicContact CB-CE1 4.06Å; P122-Y177 HydrophobicContact CG-CE1 4.34Å; L123-Y177 HydrophobicContact CD1-CD1 3.77Å; L123-Y177 HydrophobicContact CD1-CD2 4.34Å; L123-Y177 HydrophobicContact CD1-CE1 3.77Å; L123-Y177 HydrophobicContact CD1-CE2 4.36Å; L123-Y177 HydrophobicContact CD1-CG 4.05Å; L123-Y177 HydrophobicContact CD2-CD1 3.9Å; L123-Y177 HydrophobicContact CD2-CE1 3.82Å; L123-Y177 HydrophobicContact CG-CD1 3.98Å; L123-Y177 HydrophobicContact CG-CE1 3.6Å; Y177-I181 HydrophobicContact CD1-CD1 4.18Å; Y177-I181 HydrophobicContact CD2-CD1 3.62Å; Y177-I181 HydrophobicContact CD2-CG1 4.49Å; Y177-I181 HydrophobicContact CE2-CD1 4.25Å; Y177-I181 HydrophobicContact CG-CD1 3.59Å; Y177-I181 HydrophobicContact CG-CG1 4.12Å; Y177-H182 WeakPolarHBondContact O-CA 3.31Å; Y177-G183 PolarHBondContact O-N 3.43Å; Y177-Q184 WeakPolarHBondContact CD2-O 3.42Å; Y177-Q184 PolarHBondContact N-O 3.11Å; Y177-E186 HydrophobicContact CE2-CB 4.06Å
178	G	97.6	Very high	98	Very high	43 Å²	43	43.4 Å²	43.4	44%	0.443	23%	0.23	S	C	.	.			trans	-83.6	-148.9	164.2	0	0	0	0	0	111.8	I181 H182	G178-I181 CarbonylContact O-C 3.57Å; G178-I181 PolarHBondContact O-N 3.01Å; G178-I181 VanDerWaalsContact O-N 3.13Å; G178-H182 WeakPolarHBondContact O-CA 3.25Å; G178-H182 PolarHBondContact O-N 3.35Å
179	R	95.3	Very high	98	Very high	236 Å²	236	43.4 Å²	43.4	89%	0.891	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	148	176	-66.7	-177.9	-178.8	-86.5	-0.5	111.3
180	P	95.3	Very high	98	Very high	107 Å²	107	45.7 Å²	45.7	70%	0.695	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.4	-7.7	0	33.3	-34.7	0	0	0	114.5	V57	V57-P180 HydrophobicContact CG1-CG 4.18Å
181	I	97.4	Very high	97.9	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.092	27%	0.274	C	S	.	.	S	Bend	trans	-107.2	50.1	-172.8	50.4	160.9	0	0	0	111.8	H55 V57 T69 Y177 G178 G183 Q184	H55-I181 VanDerWaalsContact CE1-CG2 3.42Å; H55-I181 WeakPolarHBondContact CE1-CG2 3.39Å; V57-I181 HydrophobicContact CG2-CG2 4.08Å; T69-I181 HydrophobicContact CG2-CD1 3.95Å; Y177-I181 HydrophobicContact CD1-CD1 4.18Å; Y177-I181 HydrophobicContact CD2-CD1 3.62Å; Y177-I181 HydrophobicContact CD2-CG1 4.49Å; Y177-I181 HydrophobicContact CE2-CD1 4.25Å; Y177-I181 HydrophobicContact CG-CD1 3.59Å; Y177-I181 HydrophobicContact CG-CG1 4.12Å; G178-I181 CarbonylContact O-C 3.57Å; G178-I181 PolarHBondContact O-N 3.01Å; G178-I181 VanDerWaalsContact O-N 3.13Å; I181-G183 PolarHBondContact O-N 3.09Å; I181-Q184 HydrophobicContact CB-CG 4.21Å; I181-Q184 WeakPolarHBondContact O-CB 3.45Å; I181-Q184 WeakPolarHBondContact O-CG 3.36Å; I181-Q184 PolarHBondContact O-N 3.16Å
182	H	97.3	Very high	97.7	Very high	152 Å²	152	56.2 Å²	56.2	70%	0.704	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	128.8	-169.8	174.8	-77.5	0	0	0	112.5	Y177 G178 Q184	Y177-H182 WeakPolarHBondContact O-CA 3.31Å; G178-H182 WeakPolarHBondContact O-CA 3.25Å; G178-H182 PolarHBondContact O-N 3.35Å; H182-Q184 PolarHBondContact O-N 3.07Å
183	G	97.8	Very high	97.6	Very high	29 Å²	29	60 Å²	60	30%	0.299	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1.9	175.1	0	0	0	0	0	114.6	Y177 I181	Y177-G183 PolarHBondContact O-N 3.43Å; I181-G183 PolarHBondContact O-N 3.09Å
184	Q	98.6	Very high	97.6	Very high	35 Å²	35	60 Å²	60	16%	0.164	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.4	138.1	169.5	-56.7	-166.2	13.1	0	0	109.4	H55 T69 G70 V71 Q176 Y177 I181 H182	H55-Q184 PolarHBondContact CE1-OE1 3.48Å; T69-Q184 HydrophobicContact CG2-CB 4.33Å; T69-Q184 PolarHBondContact OG1-OE1 2.91Å; G70-Q184 WeakPolarHBondContact O-CA 3.48Å; V71-Q184 HydrophobicContact CG1-CB 4.47Å; V71-Q184 HydrophobicContact CG1-CG 3.9Å; Q176-Q184 CarbonylContact C-O 3.6Å; Q176-Q184 VanDerWaalsContact CA-O 3.32Å; Q176-Q184 WeakPolarHBondContact CA-O 3.32Å; Y177-Q184 WeakPolarHBondContact CD2-O 3.42Å; Y177-Q184 PolarHBondContact N-O 3.11Å; I181-Q184 HydrophobicContact CB-CG 4.21Å; I181-Q184 WeakPolarHBondContact O-CB 3.45Å; I181-Q184 WeakPolarHBondContact O-CG 3.36Å; I181-Q184 PolarHBondContact O-N 3.16Å; H182-Q184 PolarHBondContact O-N 3.07Å
185	M	98.8	Very high	97.7	Very high	29 Å²	29	64.3 Å²	64.3	14%	0.143	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	146.6	-179.3	-67.9	-176.2	-176.7	0	0	111.5	H48 V50 T69 G70 V172 E175 Q176	H48-M185 HydrophobicContact CB-SD 3.93Å; V50-M185 HydrophobicContact CB-SD 4.42Å; V50-M185 HydrophobicContact CG1-CE 4.04Å; V50-M185 HydrophobicContact CG1-CG 4.21Å; V50-M185 HydrophobicContact CG1-SD 3.56Å; V50-M185 VanDerWaalsContact CG1-SD 3.56Å; V50-M185 HydrophobicContact CG2-SD 4.02Å; T69-M185 CarbonylContact C-O 3.6Å; T69-M185 WeakPolarHBondContact CA-O 3.45Å; T69-M185 WeakPolarHBondContact CB-O 3.46Å; G70-M185 PolarHBondContact N-O 2.82Å; G70-M185 PolarHBondContact O-N 2.86Å; V172-M185 HydrophobicContact CG1-CB 3.94Å; V172-M185 HydrophobicContact CG1-SD 3.94Å; E175-M185 CarbonylContact O-C 3.5Å; E175-M185 VanDerWaalsContact O-CA 3.23Å; E175-M185 WeakPolarHBondContact O-CA 3.4Å; Q176-M185 HydrophobicContact CG-CG 3.77Å
186	E	98.8	Very high	97.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.8	169.9	-177.7	179	-110.3	0	0	111	S121 P122 L123 S124 E175 Y177 H188	S121-E186 WeakPolarHBondContact CB-OE1 3.22Å; P122-E186 WeakPolarHBondContact CD-OE1 3.41Å; L123-E186 WeakPolarHBondContact CA-OE1 3.05Å; L123-E186 WeakPolarHBondContact CB-OE1 3.46Å; L123-E186 HydrophobicContact CD1-CB 4.07Å; L123-E186 HydrophobicContact CG-CB 4.45Å; L123-E186 PolarHBondContact N-OE1 3Å; S124-E186 WeakPolarHBondContact CB-OE2 3.37Å; S124-E186 PolarHBondContact N-OE1 3.23Å; S124-E186 PolarHBondContact N-OE2 3.29Å; S124-E186 PolarHBondContact OG-OE2 2.97Å; E175-E186 HydrophobicContact CB-CB 4.34Å; E175-E186 PolarHBondContact O-N 3.25Å; Y177-E186 HydrophobicContact CE2-CB 4.06Å; E186-H188 IonicContact OE2-CE1 3.8Å; E186-H188 IonicContact OE2-CG 2.69Å; E186-H188 IonicContact OE2-ND1 3.53Å; E186-H188 PolarHBondContact OE2-ND1 3.44Å
187	V	98.9	Very high	97.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.317	C	S	.	.			trans	-107	131.8	165.3	174.2	0	0	0	0	107.4	L52 V68 V129 L170 S171 V172	L52-V187 HydrophobicContact CD1-CG1 4.01Å; L52-V187 HydrophobicContact CD1-CG2 4.17Å; V68-V187 HydrophobicContact CG1-CB 4.1Å; V68-V187 HydrophobicContact CG1-CG1 4.03Å; V68-V187 HydrophobicContact CG1-CG2 4.42Å; V129-V187 HydrophobicContact CB-CG1 4.25Å; V129-V187 HydrophobicContact CG1-CG1 4.09Å; L170-V187 HydrophobicContact CD1-CG1 3.43Å; L170-V187 VanDerWaalsContact CD1-CG1 3.43Å; L170-V187 HydrophobicContact CG-CG1 4.33Å; S171-V187 WeakPolarHBondContact O-CA 3.48Å; V172-V187 HydrophobicContact CG2-CG2 3.79Å
188	H	98.9	Very high	97.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	179.7	179.5	51	-117.5	0	0	0	109.8	S124 N126 Q127 V129 S171 T173 E186	S124-H188 PolarHBondContact OG-ND1 2.81Å; N126-H188 HydrophobicContact CB-CB 3.95Å; Q127-H188 CarbonylContact O-C 3.11Å; Q127-H188 WeakPolarHBondContact O-CA 3.39Å; Q127-H188 VanDerWaalsContact O-CB 3.26Å; Q127-H188 WeakPolarHBondContact O-CB 3.42Å; V129-H188 VanDerWaalsContact CG2-C 3.45Å; S171-H188 PolarHBondContact N-O 2.92Å; S171-H188 PolarHBondContact O-N 2.7Å; S171-H188 VanDerWaalsContact O-N 3.09Å; T173-H188 PolarHBondContact OG1-CE1 2.71Å; T173-H188 PolarHBondContact OG1-NE2 3.47Å; E186-H188 IonicContact OE2-CE1 3.8Å; E186-H188 IonicContact OE2-CG 2.69Å; E186-H188 IonicContact OE2-ND1 3.53Å; E186-H188 PolarHBondContact OE2-ND1 3.44Å
189	A	98.8	Very high	97.7	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138	174.3	0	0	0	0	0	111.7	Q127 V129 L169	Q127-A189 HydrophobicContact CB-CB 4.06Å; Q127-A189 WeakPolarHBondContact CB-O 3.43Å; Q127-A189 HydrophobicContact CG-CB 4.39Å; Q127-A189 PolarHBondContact N-O 2.92Å; Q127-A189 PolarHBondContact O-N 2.77Å; V129-A189 HydrophobicContact CG2-CB 3.91Å; L169-A189 VanDerWaalsContact O-CA 3.31Å; L169-A189 WeakPolarHBondContact O-CA 3.26Å
190	M	98.3	Very high	97.8	Very high	48 Å²	48	49.1 Å²	49.1	24%	0.236	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	178.8	-64.4	-177	72	0	0	111	L169 T173 N192	L169-M190 WeakPolarHBondContact CB-O 3.41Å; L169-M190 PolarHBondContact N-O 2.85Å; L169-M190 PolarHBondContact O-N 3.4Å; T173-M190 HydrophobicContact CG2-SD 3.71Å; M190-N192 PolarHBondContact O-N 3Å
191	S	96.3	Very high	97.8	Very high	99 Å²	99	45.1 Å²	45.1	69%	0.692	25%	0.245	S	C	*	.	S	Bend	trans	-70.9	-31.9	-178.2	-47.7	0	0	0	0	113.7
192	N	95.4	Very high	97.5	Very high	121 Å²	121	47.9 Å²	47.9	65%	0.647	26%	0.257	S	S	*	.	S	Bend	trans	-102.4	135.1	-173	-68.7	-38.3	0	0	0	112.1	M190	M190-N192 PolarHBondContact O-N 3Å
193	P	97.1	Very high	97.2	Very high	81 Å²	81	42.8 Å²	42.8	53%	0.526	24%	0.235	S	C	.	.			trans	-66.9	139.9	175.7	28	-33.5	0	0	0	111	L169	L169-P193 VanDerWaalsContact CD1-CA 3.41Å; L169-P193 HydrophobicContact CD1-CB 3.75Å
194	S	97.1	Very high	96.8	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	23%	0.228	C	C	.	.			trans	-153.6	-171.6	178.8	72.8	0	0	0	0	109.9	R160 H196 S197	R160-S194 PolarHBondContact NH2-O 2.73Å; S194-H196 VanDerWaalsContact OG-CB 3.32Å; S194-H196 WeakPolarHBondContact OG-CB 3.41Å; S194-H196 PolarHBondContact OG-N 3.5Å; S194-H196 VanDerWaalsContact OG-N 3.09Å; S194-S197 PolarHBondContact N-OG 3.45Å; S194-S197 VanDerWaalsContact N-OG 3.11Å; S194-S197 PolarHBondContact O-OG 3.23Å
195	Q	97.7	Very high	96.3	Very high	115 Å²	115	45.5 Å²	45.5	54%	0.537	24%	0.239	S	C	.	.	S	Bend	trans	-71.1	-22.2	170.2	-62.3	-61.6	-48.9	0	0	112	K47 S197 L198	K47-Q195 HydrophobicContact CB-CB 4.43Å; Q195-S197 VanDerWaalsContact C-N 3.28Å; Q195-S197 PolarHBondContact O-N 2.96Å; Q195-L198 PolarHBondContact O-N 2.99Å
196	H	98.2	Very high	95.4	Very high	52 Å²	52	49.5 Å²	49.5	24%	0.241	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.7	178.9	-62.3	-68.4	0	0	0	113.3	N45 H48 S171 V172 T173 S194	N45-H196 PolarHBondContact ND2-O 3.34Å; H48-H196 AromaticContact CD2-ND1 3.75Å; H48-H196 AromaticContact NE2-CE1 3.51Å; H48-H196 AromaticContact NE2-ND1 3.07Å; H48-H196 PolarHBondContact NE2-ND1 3.33Å; S171-H196 WeakPolarHBondContact CA-O 3.32Å; V172-H196 PolarHBondContact N-O 2.9Å; V172-H196 VanDerWaalsContact O-CB 3.25Å; V172-H196 WeakPolarHBondContact O-CB 3.47Å; V172-H196 PolarHBondContact O-ND1 2.71Å; T173-H196 HydrophobicContact CG2-CB 4.3Å; S194-H196 VanDerWaalsContact OG-CB 3.32Å; S194-H196 WeakPolarHBondContact OG-CB 3.41Å; S194-H196 PolarHBondContact OG-N 3.5Å; S194-H196 VanDerWaalsContact OG-N 3.09Å
197	S	98.6	Very high	94.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	5.3	179.2	44.8	0	0	0	0	114.5	R160 L170 S171 S194 Q195	R160-S197 WeakPolarHBondContact CG-O 3.31Å; R160-S197 PolarHBondContact NE-OG 2.92Å; L170-S197 VanDerWaalsContact O-CA 3.31Å; L170-S197 WeakPolarHBondContact O-CA 3.38Å; S171-S197 WeakPolarHBondContact OG-CB 3.23Å; S194-S197 PolarHBondContact N-OG 3.45Å; S194-S197 VanDerWaalsContact N-OG 3.11Å; S194-S197 PolarHBondContact O-OG 3.23Å; Q195-S197 VanDerWaalsContact C-N 3.28Å; Q195-S197 PolarHBondContact O-N 2.96Å
198	L	98.6	Very high	93.1	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.12	29%	0.292	C	S	.	.			trans	-87.5	125.5	177.5	-74	173.1	0	0	0	111.1	V46 R160 Q195	V46-L198 HydrophobicContact CB-CB 4.1Å; V46-L198 HydrophobicContact CG2-CB 4.05Å; V46-L198 PolarHBondContact N-O 3.3Å; R160-L198 HydrophobicContact CG-CD2 4.06Å; Q195-L198 PolarHBondContact O-N 2.99Å
199	W	98.8	Very high	91.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.4	177.9	-61.3	85.4	0	0	0	109.6	L43 L44 N45 L52 S158 V159 F161 L170 V172	L43-W199 HydrophobicContact CB-CE3 3.99Å; L43-W199 HydrophobicContact CD2-CB 4.49Å; L44-W199 CarbonylContact O-C 3.55Å; L44-W199 WeakPolarHBondContact O-CA 3.45Å; N45-W199 HydrophobicContact CB-CD2 4.34Å; N45-W199 HydrophobicContact CB-CE3 3.91Å; N45-W199 HydrophobicContact CB-CH2 3.86Å; N45-W199 HydrophobicContact CB-CZ2 4.26Å; N45-W199 HydrophobicContact CB-CZ3 3.66Å; N45-W199 VanDerWaalsContact N-CE3 3.29Å; L52-W199 HydrophobicContact CB-CH2 4.43Å; L52-W199 HydrophobicContact CB-CZ3 3.96Å; L52-W199 HydrophobicContact CD1-CH2 4.21Å; S158-W199 CarbonylContact C-O 3.57Å; S158-W199 VanDerWaalsContact CA-O 3.29Å; S158-W199 WeakPolarHBondContact CA-O 3.4Å; V159-W199 PolarHBondContact N-O 2.83Å; V159-W199 PolarHBondContact O-N 2.91Å; F161-W199 HydrophobicContact CD2-CB 4.32Å; F161-W199 HydrophobicContact CD2-CG 4.22Å; F161-W199 HydrophobicContact CE2-CB 3.89Å; F161-W199 HydrophobicContact CE2-CG 4.22Å; L170-W199 HydrophobicContact CD2-CD2 4.38Å; L170-W199 HydrophobicContact CD2-CZ2 3.98Å; L170-W199 HydrophobicContact CG-CZ2 3.78Å; L170-W199 PolarHBondContact O-NE1 3.49Å; V172-W199 HydrophobicContact CG2-CH2 3.79Å; V172-W199 HydrophobicContact CG2-CZ2 3.95Å
200	K	97.4	Very high	89.3	Confident	88 Å²	88	66.6 Å²	66.6	38%	0.383	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.6	171.2	67	179	-176.4	179.3	0	110.3	L44 V46 H202	L44-K200 HydrophobicContact CB-CG 4.33Å; L44-K200 HydrophobicContact CD2-CG 4.47Å; L44-K200 PolarHBondContact N-O 3.05Å; L44-K200 PolarHBondContact O-N 3.45Å; V46-K200 HydrophobicContact CG2-CB 4.25Å; V46-K200 HydrophobicContact CG2-CD 4.23Å; V46-K200 HydrophobicContact CG2-CG 4.06Å; K200-H202 PolarHBondContact O-N 2.87Å
201	L	95.9	Very high	87	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.12	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.6	167.8	-70.1	-174.5	0	0	0	109.9	V35 I41 L43 W153 R155 Y204	V35-L201 HydrophobicContact CG2-CD1 3.48Å; V35-L201 VanDerWaalsContact CG2-CD1 3.48Å; V35-L201 HydrophobicContact CG2-CG 4.35Å; I41-L201 HydrophobicContact CB-CD2 3.68Å; I41-L201 HydrophobicContact CD1-CD2 3.86Å; I41-L201 HydrophobicContact CG1-CD2 4.38Å; I41-L201 HydrophobicContact CG2-CD2 3.68Å; L43-L201 HydrophobicContact CD2-CD2 4.11Å; W153-L201 HydrophobicContact CH2-CD2 4.24Å; W153-L201 HydrophobicContact CZ2-CD2 3.89Å; W153-L201 HydrophobicContact CZ2-CG 4.03Å; R155-L201 HydrophobicContact CB-CD1 4.13Å; R155-L201 HydrophobicContact CG-CD1 3.98Å; L201-Y204 HydrophobicContact CD1-CD2 4.14Å
202	H	91.1	Very high	84.4	Confident	75 Å²	75	72.2 Å²	72.2	35%	0.347	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-38.7	167.1	-174.7	61.4	0	0	0	111.4	K42 L44 R51 V74 K200	K42-H202 HydrophobicContact CB-CB 4.32Å; K42-H202 PolarHBondContact O-N 2.71Å; L44-H202 HydrophobicContact CB-CB 3.86Å; R51-H202 PolarHBondContact NE-CD2 2.64Å; R51-H202 PolarHBondContact NE-NE2 3.23Å; R51-H202 PolarHBondContact NH2-CE1 2.88Å; R51-H202 PolarHBondContact NH2-NE2 2.88Å; V74-H202 WeakPolarHBondContact CG1-NE2 3.39Å; K200-H202 PolarHBondContact O-N 2.87Å
203	L	91.2	Very high	81.5	Confident	45 Å²	45	73.6 Å²	73.6	24%	0.236	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.3	178	-168.8	164.2	0	0	0	108.3	I41 K42 Y80 Q205	I41-L203 WeakPolarHBondContact CA-O 3.19Å; K42-L203 HydrophobicContact CB-CB 4.01Å; K42-L203 HydrophobicContact CD-CB 4.3Å; K42-L203 HydrophobicContact CD-CD1 4.37Å; K42-L203 HydrophobicContact CG-CB 4Å; K42-L203 PolarHBondContact N-O 3.24Å; Y80-L203 HydrophobicContact CE1-CD1 4.2Å; Y80-L203 HydrophobicContact CE1-CD2 4Å; L203-Q205 HydrophobicContact CD2-CG 3.47Å; L203-Q205 VanDerWaalsContact CD2-CG 3.47Å
204	Y	88.4	Confident	78.7	Confident	38 Å²	38	79 Å²	79	15%	0.149	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.3	176.2	175.6	-100.7	0	0	0	109.9	V35 T36 S39 I41 L201 Q206	V35-Y204 HydrophobicContact CG1-CE2 4.26Å; T36-Y204 PolarHBondContact OG1-OH 2.89Å; S39-Y204 VanDerWaalsContact CB-CE2 3.42Å; I41-Y204 HydrophobicContact CG2-CD2 3.97Å; L201-Y204 HydrophobicContact CD1-CD2 4.14Å; Y204-Q206 HydrophobicContact CD1-CG 4.34Å; Y204-Q206 HydrophobicContact CE1-CB 4.4Å; Y204-Q206 HydrophobicContact CE1-CG 3.46Å; Y204-Q206 VanDerWaalsContact CE1-CG 3.46Å
205	Q	87.1	Confident	77.8	Confident	83 Å²	83	81.3 Å²	81.3	39%	0.388	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	169.2	-60.8	177.1	-11.6	0	0	107.8	S39 V40 L203	S39-Q205 WeakPolarHBondContact CA-O 3.42Å; S39-Q205 VanDerWaalsContact CB-O 3.3Å; S39-Q205 WeakPolarHBondContact CB-O 3.45Å; V40-Q205 HydrophobicContact CB-CB 4.25Å; V40-Q205 PolarHBondContact N-O 2.53Å; V40-Q205 VanDerWaalsContact N-O 3.09Å; V40-Q205 PolarHBondContact O-N 3.01Å; L203-Q205 HydrophobicContact CD2-CG 3.47Å; L203-Q205 VanDerWaalsContact CD2-CG 3.47Å
206	Q	81.3	Confident	76.7	Confident	113 Å²	113	79.5 Å²	79.5	53%	0.528	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-57.7	145.1	173.3	-74	-176.7	-13.8	0	0	109.8	Y204	Y204-Q206 HydrophobicContact CD1-CG 4.34Å; Y204-Q206 HydrophobicContact CE1-CB 4.4Å; Y204-Q206 HydrophobicContact CE1-CG 3.46Å; Y204-Q206 VanDerWaalsContact CE1-CG 3.46Å
207	P	78.7	Confident	75.6	Confident	22 Å²	22	81.1 Å²	81.1	14%	0.143	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-55.4	135	169.5	22.5	-30.1	0	0	0	108.4	T36 G38 R93	T36-P207 WeakPolarHBondContact OG1-CD 3.39Å; G38-P207 WeakPolarHBondContact O-CB 3.49Å; R93-P207 HydrophobicContact CG-CB 3.63Å; R93-P207 HydrophobicContact CG-CG 4.11Å
208	P	69.9	Low	74.2	Confident	91 Å²	91	85.8 Å²	85.8	59%	0.591	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-49.7	148.1	175.8	-17.6	16.9	0	0	0	111	R93 L210	R93-P208 PolarHBondContact NE-O 3.29Å; R93-P208 VanDerWaalsContact NH2-C 3.29Å; R93-P208 VanDerWaalsContact NH2-CA 3.33Å; R93-P208 PolarHBondContact NH2-O 2.86Å; P208-L210 PolarHBondContact O-N 2.55Å
209	S	62.9	Low	72.7	Confident	113 Å²	113	89.8 Å²	89.8	79%	0.79	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-60	136.4	167.7	43.4	0	0	0	0	108.4	S211	S209-S211 PolarHBondContact O-N 3.25Å; S209-S211 VanDerWaalsContact O-N 3.15Å
210	L	56.3	Low	70.9	Confident	136 Å²	136	95.7 Å²	95.7	71%	0.712	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-62.1	119.1	161.7	-67.8	169.4	0	0	0	104.9	P208 Q212	P208-L210 PolarHBondContact O-N 2.55Å; L210-Q212 PolarHBondContact O-N 3.2Å
211	S	48.1	Very low	69	Low	88 Å²	88	96.3 Å²	96.3	62%	0.615	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-54.5	120.1	166.4	50	0	0	0	0	106.2	S209 N213	S209-S211 PolarHBondContact O-N 3.25Å; S209-S211 VanDerWaalsContact O-N 3.15Å; S211-N213 PolarHBondContact O-N 3.27Å; S211-N213 PolarHBondContact OG-OD1 3.2Å
212	Q	41.7	Very low	67	Low	176 Å²	176	101.9 Å²	101.9	82%	0.822	56%	0.562	S	S	*	*			trans	-63.7	99.8	161.4	-69.7	-171.1	-15.8	0	0	104.4	L210 V214	L210-Q212 PolarHBondContact O-N 3.2Å; Q212-V214 HydrophobicContact CB-CG2 4.39Å; Q212-V214 PolarHBondContact O-N 3.13Å
213	N	35.4	Very low	65	Low	150 Å²	150	104.2 Å²	104.2	80%	0.802	58%	0.58	S	S	*	*			trans	-63.9	95.5	163.7	-71.6	-18.4	0	0	0	105.3	S211	S211-N213 PolarHBondContact O-N 3.27Å; S211-N213 PolarHBondContact OG-OD1 3.2Å
214	V	38.6	Very low	62.6	Low	195 Å²	195	109.5 Å²	109.5	100%	1.182	61%	0.611	S	S	*	*			trans	-89.8	0	160.7	179.9	0	0	0	0	107.1	Q212	Q212-V214 HydrophobicContact CB-CG2 4.39Å; Q212-V214 PolarHBondContact O-N 3.13Å

Retrieved 214 of 214 residues in 99.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).