RETN_MOUSE Loading...

Resistin

Hormone that seems to suppress insulin ability to stimulate glucose uptake into adipose cells. Potentially links obesity to diabetes.

AlphaFold DB , UniProt , Accession Q99P87, Species MOUSE (Mus musculus, Mouse), Gene Retn, Length 114 aa.

						>RETN_MOUSE|Q99P87|Retn
MKNLSFPLLFLFFLVPELLGSSMPLCPIDEAIDKKIKQDFNSLFPNAIKNIGLNCWTVSSRGKLASCPEGTAVLSCSCGSACGSWDIREEKVCHCQCARIDWTAARCCKLQVAS
					

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	46.1	Very low	62.5	Low	230 Å²	230	135 Å²	135	100%	1.133	69%	0.688	S	S	*	*				0	123.7	0	-73.2	161.1	61.3	0	0	108.9
2	K	59.2	Low	62.7	Low	200 Å²	200	136.5 Å²	136.5	87%	0.87	69%	0.687	S	S	*	*			trans	54.1	65	166	-60.3	179.4	177.7	177.2	0	118.4
3	N	58.2	Low	62.9	Low	143 Å²	143	137.1 Å²	137.1	77%	0.765	68%	0.682	S	S	*	*			trans	-139.7	1.1	162.5	-84	-38.5	0	0	0	115	S5	N3-S5 PolarHBondContact O-N 2.84Å
4	L	59.2	Low	62.8	Low	153 Å²	153	134.6 Å²	134.6	80%	0.801	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	0.5	176.8	-86.4	124.9	0	0	0	114.2
5	S	66.8	Low	62.8	Low	90 Å²	90	130.5 Å²	130.5	63%	0.629	66%	0.657	S	S	*	*	H	α-helix	trans	-84.9	-28.4	-176.7	-162	0	0	0	0	113.9	N3 L9	N3-S5 PolarHBondContact O-N 2.84Å; S5-L9 PolarHBondContact O-N 2.73Å
6	F	65.6	Low	62.5	Low	144 Å²	144	127.3 Å²	127.3	63%	0.632	65%	0.648	S	S	*	*	H	α-helix	trans	-73.3	-43.5	-174.5	-157.1	-97.3	0	0	0	114.6	L8 L9 F10	F6-L8 VanDerWaalsContact C-N 3.27Å; F6-L8 PolarHBondContact O-N 3Å; F6-L9 PolarHBondContact O-N 3.39Å; F6-F10 HydrophobicContact CD1-CD2 4.49Å; F6-F10 AromaticContact CE1-CD2 3.96Å; F6-F10 HydrophobicContact CE1-CD2 3.96Å; F6-F10 HydrophobicContact CE1-CE2 4.14Å; F6-F10 PolarHBondContact O-N 2.67Å; F6-F10 VanDerWaalsContact O-N 3.17Å
7	P	66.6	Low	62.3	Low	77 Å²	77	129.4 Å²	129.4	50%	0.5	66%	0.655	S	S	.	*	H	α-helix	trans	-69.1	-27.4	178.1	26	-32.4	0	0	0	112.5	L11	P7-L11 PolarHBondContact O-N 3Å
8	L	67.5	Low	61.8	Low	108 Å²	108	131.1 Å²	131.1	57%	0.565	67%	0.665	S	S	*	*	H	α-helix	trans	-68.4	-38.8	173.1	-107.3	132.3	0	0	0	111.9	F6 L11 F12	F6-L8 VanDerWaalsContact C-N 3.27Å; F6-L8 PolarHBondContact O-N 3Å; L8-L11 WeakPolarHBondContact O-CB 3.27Å; L8-L11 PolarHBondContact O-N 3.38Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 2.82Å
9	L	67.1	Low	61.4	Low	95 Å²	95	131.4 Å²	131.4	50%	0.497	67%	0.667	S	S	.	*	H	α-helix	trans	-66.5	-39	176.8	-146.3	96.4	0	0	0	111.8	S5 F6 L11 F12 F13	S5-L9 PolarHBondContact O-N 2.73Å; F6-L9 PolarHBondContact O-N 3.39Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.94Å; L9-F12 WeakPolarHBondContact O-CB 3.29Å; L9-F12 PolarHBondContact O-N 3.5Å; L9-F12 VanDerWaalsContact O-N 3.12Å; L9-F13 HydrophobicContact CD2-CD2 4.48Å; L9-F13 HydrophobicContact CD2-CE2 3.95Å; L9-F13 HydrophobicContact CG-CE2 4.21Å; L9-F13 WeakPolarHBondContact O-CD2 3.15Å; L9-F13 PolarHBondContact O-N 2.84Å
10	F	64.7	Low	60.9	Low	125 Å²	125	127.3 Å²	127.3	55%	0.548	66%	0.66	S	S	.	*	H	α-helix	trans	-64	-35.8	176	-123.9	-87.5	0	0	0	112.3	F6 F12 F13 L14	F6-F10 HydrophobicContact CD1-CD2 4.49Å; F6-F10 AromaticContact CE1-CD2 3.96Å; F6-F10 HydrophobicContact CE1-CD2 3.96Å; F6-F10 HydrophobicContact CE1-CE2 4.14Å; F6-F10 PolarHBondContact O-N 2.67Å; F6-F10 VanDerWaalsContact O-N 3.17Å; F10-F12 VanDerWaalsContact C-N 3.31Å; F10-F12 PolarHBondContact O-N 2.99Å; F10-F13 PolarHBondContact O-N 3.4Å; F10-L14 HydrophobicContact CD1-CD1 3.85Å; F10-L14 HydrophobicContact CD1-CG 4.48Å; F10-L14 HydrophobicContact CE1-CD1 4.38Å; F10-L14 PolarHBondContact O-N 3.27Å; F10-L14 VanDerWaalsContact O-N 3.16Å
11	L	66	Low	60.4	Low	120 Å²	120	125.3 Å²	125.3	63%	0.628	66%	0.657	S	S	*	*	H	α-helix	trans	-62.3	-38.2	172	-118.6	112.9	0	0	0	111.8	P7 L8 L9 F13 V15	P7-L11 PolarHBondContact O-N 3Å; L8-L11 WeakPolarHBondContact O-CB 3.27Å; L8-L11 PolarHBondContact O-N 3.38Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.94Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-F13 PolarHBondContact O-N 3.48Å; L11-V15 WeakPolarHBondContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.45Å; L11-V15 PolarHBondContact O-N 3.3Å
12	F	65.2	Low	60.8	Low	153 Å²	153	119.5 Å²	119.5	67%	0.671	64%	0.639	S	S	*	*	H	α-helix	trans	-71	-21.9	178.6	-93	-79.7	0	0	0	114.3	L8 L9 F10 P16	L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 2.82Å; L9-F12 WeakPolarHBondContact O-CB 3.29Å; L9-F12 PolarHBondContact O-N 3.5Å; L9-F12 VanDerWaalsContact O-N 3.12Å; F10-F12 VanDerWaalsContact C-N 3.31Å; F10-F12 PolarHBondContact O-N 2.99Å; F12-P16 WeakPolarHBondContact O-CD 3.42Å; F12-P16 WeakPolarHBondContact O-CG 3.4Å
13	F	65.6	Low	60.8	Low	144 Å²	144	117.3 Å²	117.3	63%	0.632	63%	0.633	S	S	*	*	H	α-helix	trans	-93	-29.3	177	-79.5	-75.3	0	0	0	113.8	L9 F10 L11 P16	L9-F13 HydrophobicContact CD2-CD2 4.48Å; L9-F13 HydrophobicContact CD2-CE2 3.95Å; L9-F13 HydrophobicContact CG-CE2 4.21Å; L9-F13 WeakPolarHBondContact O-CD2 3.15Å; L9-F13 PolarHBondContact O-N 2.84Å; F10-F13 PolarHBondContact O-N 3.4Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-F13 PolarHBondContact O-N 3.48Å; F13-P16 WeakPolarHBondContact O-CD 3.38Å
14	L	61.7	Low	60.9	Low	102 Å²	102	116 Å²	116	53%	0.534	63%	0.633	S	S	.	*	H	α-helix	trans	-80.3	-28.2	177.8	-78.1	164.6	0	0	0	113.4	F10	F10-L14 HydrophobicContact CD1-CD1 3.85Å; F10-L14 HydrophobicContact CD1-CG 4.48Å; F10-L14 HydrophobicContact CE1-CD1 4.38Å; F10-L14 PolarHBondContact O-N 3.27Å; F10-L14 VanDerWaalsContact O-N 3.16Å
15	V	61.9	Low	60.9	Low	73 Å²	73	113.6 Å²	113.6	44%	0.442	62%	0.62	S	S	.	*	H	α-helix	trans	-70.9	-37.9	-178.2	173.5	0	0	0	0	112.8	L11 L18 L19	L11-V15 WeakPolarHBondContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.45Å; L11-V15 PolarHBondContact O-N 3.3Å; V15-L18 PolarHBondContact O-N 3.24Å; V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 WeakPolarHBondContact O-CD1 3.27Å; V15-L19 PolarHBondContact O-N 3.18Å; V15-L19 VanDerWaalsContact O-N 3.09Å
16	P	59	Low	61.6	Low	80 Å²	80	112.7 Å²	112.7	52%	0.519	61%	0.613	S	S	.	*	H	α-helix	trans	-70	-27.8	177	-23	34.9	0	0	0	114.9	F12 F13 L18 L19 G20	F12-P16 WeakPolarHBondContact O-CD 3.42Å; F12-P16 WeakPolarHBondContact O-CG 3.4Å; F13-P16 WeakPolarHBondContact O-CD 3.38Å; P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L19 CarbonylContact O-C 3.52Å; P16-G20 PolarHBondContact O-N 2.9Å
17	E	58.1	Low	62.6	Low	163 Å²	163	111 Å²	111	76%	0.762	62%	0.617	S	S	*	*	H	α-helix	trans	-75.1	-24.1	175.4	-80.3	-176.4	161.1	0	0	112.5
18	L	54.8	Low	63.9	Low	159 Å²	159	113 Å²	113	83%	0.832	62%	0.622	S	S	*	*	H	α-helix	trans	-87	-23.1	174.5	-154	71.6	0	0	0	113	V15 P16	V15-L18 PolarHBondContact O-N 3.24Å; P16-L18 VanDerWaalsContact C-N 3.33Å
19	L	53.9	Low	65.1	Low	137 Å²	137	111.5 Å²	111.5	72%	0.717	61%	0.614	S	S	*	*	S	Bend	trans	-95.9	6	169.1	-85.9	104	0	0	0	113.4	V15 P16 S21	V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 WeakPolarHBondContact O-CD1 3.27Å; V15-L19 PolarHBondContact O-N 3.18Å; V15-L19 VanDerWaalsContact O-N 3.09Å; P16-L19 CarbonylContact O-C 3.52Å; L19-S21 PolarHBondContact O-N 3.45Å
20	G	51.3	Low	66.3	Low	50 Å²	50	113 Å²	113	52%	0.515	62%	0.619	S	S	.	*	S	Bend	trans	-64.2	84.6	161.2	0	0	0	0	0	107.3	P16 S22	P16-G20 PolarHBondContact O-N 2.9Å; G20-S22 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.42Å
21	S	49.3	Very low	67.6	Low	85 Å²	85	110 Å²	110	59%	0.594	62%	0.617	S	S	*	*			trans	-49.7	91.5	179.7	171.1	0	0	0	0	109.7	L19 M23	L19-S21 PolarHBondContact O-N 3.45Å; S21-M23 PolarHBondContact O-N 3.23Å; S21-M23 VanDerWaalsContact OG-CA 3.29Å; S21-M23 WeakPolarHBondContact OG-CA 3.44Å; S21-M23 WeakPolarHBondContact OG-CG 3.28Å; S21-M23 PolarHBondContact OG-N 2.97Å
22	S	54.5	Low	69.1	Low	109 Å²	109	108.6 Å²	108.6	76%	0.762	61%	0.609	S	S	*	*			trans	-56.1	83.7	131.6	58	0	0	0	0	104.1	G20 P24	G20-S22 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.42Å; S22-P24 VanDerWaalsContact O-CD 3.27Å; S22-P24 WeakPolarHBondContact O-CD 3.45Å
23	M	59.4	Low	70.5	Confident	153 Å²	153	104 Å²	104	75%	0.754	59%	0.592	S	S	*	*			trans	-51	118.2	164.9	-93.1	-159.2	159.8	0	0	102	S21 L25	S21-M23 PolarHBondContact O-N 3.23Å; S21-M23 VanDerWaalsContact OG-CA 3.29Å; S21-M23 WeakPolarHBondContact OG-CA 3.44Å; S21-M23 WeakPolarHBondContact OG-CG 3.28Å; S21-M23 PolarHBondContact OG-N 2.97Å; M23-L25 PolarHBondContact O-N 3.45Å
24	P	60.6	Low	71.9	Confident	115 Å²	115	103.7 Å²	103.7	75%	0.747	59%	0.59	S	S	*	*			trans	-52.6	117	171.8	22.3	-29.7	0	0	0	103.4	S22 C26	S22-P24 VanDerWaalsContact O-CD 3.27Å; S22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-C26 PolarHBondContact O-N 3.34Å
25	L	60	Low	73.6	Confident	104 Å²	104	103.9 Å²	103.9	55%	0.545	59%	0.587	S	S	.	*			trans	-43.3	124	173.5	-86.3	146	0	0	0	104.6	M23 D29 E30	M23-L25 PolarHBondContact O-N 3.45Å; L25-D29 HydrophobicContact CB-CB 4.35Å; L25-D29 HydrophobicContact CD2-CB 3.75Å; L25-E30 HydrophobicContact CB-CB 4.16Å
26	C	80.9	Confident	75.3	Confident	71 Å²	71	104 Å²	104	48%	0.48	58%	0.584	S	S	.	*			trans	-50.9	140.2	179.2	-44.6	0	0	0	0	105.6	P24 I28 D29 E30	P24-C26 PolarHBondContact O-N 3.34Å; C26-I28 CarbonylContact O-C 3.43Å; C26-I28 PolarHBondContact O-N 3.49Å; C26-D29 HydrophobicContact CB-CB 4.48Å; C26-D29 WeakPolarHBondContact CB-OD2 3.46Å; C26-D29 WeakPolarHBondContact O-CA 3.36Å; C26-D29 WeakPolarHBondContact O-CB 3.4Å; C26-D29 PolarHBondContact O-N 2.96Å; C26-D29 PolarHBondContact SG-OD2 3.27Å; C26-D29 VanDerWaalsContact SG-OD2 3.39Å; C26-E30 PolarHBondContact O-N 3.23Å
27	P	87.6	Confident	77.1	Confident	108 Å²	108	105.6 Å²	105.6	70%	0.701	58%	0.583	S	S	*	*	H	α-helix	trans	-53.2	-25.4	-173.8	18.8	-32.4	0	0	0	112.6	A31	P27-A31 WeakPolarHBondContact O-CB 3.35Å; P27-A31 PolarHBondContact O-N 3.46Å
28	I	92.5	Very high	78.9	Confident	120 Å²	120	102.9 Å²	102.9	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-66.5	-52.4	169.9	-59.8	176.1	0	0	0	112	C26 E30 A31 I32	C26-I28 CarbonylContact O-C 3.43Å; C26-I28 PolarHBondContact O-N 3.49Å; I28-E30 VanDerWaalsContact C-N 3.32Å; I28-E30 PolarHBondContact O-N 3.03Å; I28-A31 PolarHBondContact O-N 3.5Å; I28-I32 HydrophobicContact CG2-CD1 3.75Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 VanDerWaalsContact O-CG1 3.28Å; I28-I32 WeakPolarHBondContact O-CG1 3.35Å; I28-I32 PolarHBondContact O-N 2.84Å
29	D	93.3	Very high	81	Confident	76 Å²	76	98.1 Å²	98.1	41%	0.406	55%	0.546	S	S	.	.	H	α-helix	trans	-58.2	-40.6	175.9	-66.9	-96.7	0	0	0	112.4	L25 C26 I32 D33	L25-D29 HydrophobicContact CB-CB 4.35Å; L25-D29 HydrophobicContact CD2-CB 3.75Å; C26-D29 HydrophobicContact CB-CB 4.48Å; C26-D29 WeakPolarHBondContact CB-OD2 3.46Å; C26-D29 WeakPolarHBondContact O-CA 3.36Å; C26-D29 WeakPolarHBondContact O-CB 3.4Å; C26-D29 PolarHBondContact O-N 2.96Å; C26-D29 PolarHBondContact SG-OD2 3.27Å; C26-D29 VanDerWaalsContact SG-OD2 3.39Å; D29-I32 PolarHBondContact O-N 3.1Å; D29-D33 WeakPolarHBondContact O-CB 3.47Å; D29-D33 PolarHBondContact O-N 3.07Å
30	E	91.2	Very high	83.1	Confident	126 Å²	126	96.3 Å²	96.3	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-43	176.5	-171	-177.7	176.7	0	0	111.6	L25 C26 I28 I32 D33 K34	L25-E30 HydrophobicContact CB-CB 4.16Å; C26-E30 PolarHBondContact O-N 3.23Å; I28-E30 VanDerWaalsContact C-N 3.32Å; I28-E30 PolarHBondContact O-N 3.03Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 3.45Å; E30-D33 PolarHBondContact O-N 2.82Å; E30-K34 WeakPolarHBondContact O-CB 3.24Å; E30-K34 PolarHBondContact O-N 2.65Å
31	A	94	Very high	85.2	Confident	62 Å²	62	100 Å²	100	51%	0.512	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-39.1	175.4	0	0	0	0	0	112.1	P27 I28 K35	P27-A31 WeakPolarHBondContact O-CB 3.35Å; P27-A31 PolarHBondContact O-N 3.46Å; I28-A31 PolarHBondContact O-N 3.5Å; A31-K35 WeakPolarHBondContact O-CB 3.36Å; A31-K35 PolarHBondContact O-N 2.73Å
32	I	95.9	Very high	87.3	Confident	90 Å²	90	98.8 Å²	98.8	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-48.7	176.1	-70.3	168.9	0	0	0	110.8	I28 D29 E30 K34 K35 I36	I28-I32 HydrophobicContact CG2-CD1 3.75Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 VanDerWaalsContact O-CG1 3.28Å; I28-I32 WeakPolarHBondContact O-CG1 3.35Å; I28-I32 PolarHBondContact O-N 2.84Å; D29-I32 PolarHBondContact O-N 3.1Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 3.45Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-K34 PolarHBondContact O-N 3.28Å; I32-K35 PolarHBondContact O-N 3.31Å; I32-K35 VanDerWaalsContact O-N 3.1Å; I32-I36 HydrophobicContact CG2-CD1 3.74Å; I32-I36 HydrophobicContact CG2-CG1 4.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.46Å; I32-I36 PolarHBondContact O-N 3.17Å
33	D	95.2	Very high	89.3	Confident	57 Å²	57	98.6 Å²	98.6	31%	0.305	52%	0.521	S	S	.	.	H	α-helix	trans	-58.9	-44.2	177.9	173.3	71.5	0	0	0	111.4	D29 E30 K35 I36 K37	D29-D33 WeakPolarHBondContact O-CB 3.47Å; D29-D33 PolarHBondContact O-N 3.07Å; E30-D33 PolarHBondContact O-N 2.82Å; D33-K35 VanDerWaalsContact C-N 3.3Å; D33-K35 PolarHBondContact O-N 2.79Å; D33-I36 PolarHBondContact O-N 3.01Å; D33-K37 WeakPolarHBondContact O-CG 3.42Å; D33-K37 PolarHBondContact O-N 2.85Å; D33-K37 VanDerWaalsContact OD1-CE 3.31Å; D33-K37 WeakPolarHBondContact OD1-CE 3.39Å; D33-K37 IonicContact OD1-NZ 3.39Å; D33-K37 PolarHBondContact OD1-NZ 3.16Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.5Å; D33-K37 IonicContact OD2-NZ 2.67Å; D33-K37 PolarHBondContact OD2-NZ 3.48Å
34	K	95.9	Very high	91	Very high	138 Å²	138	96.6 Å²	96.6	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-58.8	-42.8	175	-174.9	176.2	-178.5	176.9	0	111.6	E30 I32 K37 Q38	E30-K34 WeakPolarHBondContact O-CB 3.24Å; E30-K34 PolarHBondContact O-N 2.65Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-K34 PolarHBondContact O-N 3.28Å; K34-K37 PolarHBondContact O-N 3.23Å; K34-Q38 VanDerWaalsContact O-CG 3.29Å; K34-Q38 WeakPolarHBondContact O-CG 3.08Å; K34-Q38 PolarHBondContact O-N 3.24Å
35	K	96.8	Very high	92.6	Very high	105 Å²	105	94.7 Å²	94.7	46%	0.457	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-41.7	178	179.5	54.3	179.2	155.8	0	112	A31 I32 D33 K37 Q38 D39	A31-K35 WeakPolarHBondContact O-CB 3.36Å; A31-K35 PolarHBondContact O-N 2.73Å; I32-K35 PolarHBondContact O-N 3.31Å; I32-K35 VanDerWaalsContact O-N 3.1Å; D33-K35 VanDerWaalsContact C-N 3.3Å; D33-K35 PolarHBondContact O-N 2.79Å; K35-K37 PolarHBondContact O-N 3.38Å; K35-Q38 PolarHBondContact O-N 3.12Å; K35-D39 WeakPolarHBondContact CE-OD1 3.29Å; K35-D39 VanDerWaalsContact CE-OD2 3.24Å; K35-D39 WeakPolarHBondContact CE-OD2 3.07Å; K35-D39 IonicContact NZ-OD1 2.65Å; K35-D39 PolarHBondContact NZ-OD1 3.37Å; K35-D39 IonicContact NZ-OD2 3.28Å; K35-D39 PolarHBondContact NZ-OD2 3.09Å; K35-D39 PolarHBondContact O-N 3.45Å
36	I	97.5	Very high	94.2	Very high	76 Å²	76	93.4 Å²	93.4	39%	0.39	49%	0.49	S	S	.	.	H	α-helix	trans	-58.1	-48.3	174.8	-70.1	168	0	0	0	110.3	I32 D33 Q38 D39 F40	I32-I36 HydrophobicContact CG2-CD1 3.74Å; I32-I36 HydrophobicContact CG2-CG1 4.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.46Å; I32-I36 PolarHBondContact O-N 3.17Å; D33-I36 PolarHBondContact O-N 3.01Å; I36-Q38 PolarHBondContact O-N 3.35Å; I36-D39 PolarHBondContact O-N 3.29Å; I36-F40 HydrophobicContact CG2-CD1 4.24Å; I36-F40 HydrophobicContact CG2-CD2 3.95Å; I36-F40 HydrophobicContact CG2-CE1 4.07Å; I36-F40 HydrophobicContact CG2-CE2 3.79Å; I36-F40 HydrophobicContact CG2-CG 4.21Å; I36-F40 HydrophobicContact CG2-CZ 3.86Å; I36-F40 VanDerWaalsContact O-CB 3.31Å; I36-F40 WeakPolarHBondContact O-CB 3.39Å; I36-F40 WeakPolarHBondContact O-CG 3.42Å; I36-F40 PolarHBondContact O-N 2.9Å
37	K	96.9	Very high	94.9	Very high	113 Å²	113	92.5 Å²	92.5	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-41.8	178.3	-74.2	170.8	178.5	161.7	0	112.3	D33 K34 K35 D39 F40 N41	D33-K37 WeakPolarHBondContact O-CG 3.42Å; D33-K37 PolarHBondContact O-N 2.85Å; D33-K37 VanDerWaalsContact OD1-CE 3.31Å; D33-K37 WeakPolarHBondContact OD1-CE 3.39Å; D33-K37 IonicContact OD1-NZ 3.39Å; D33-K37 PolarHBondContact OD1-NZ 3.16Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.5Å; D33-K37 IonicContact OD2-NZ 2.67Å; D33-K37 PolarHBondContact OD2-NZ 3.48Å; K34-K37 PolarHBondContact O-N 3.23Å; K35-K37 PolarHBondContact O-N 3.38Å; K37-D39 VanDerWaalsContact C-N 3.34Å; K37-D39 PolarHBondContact O-N 3.22Å; K37-F40 PolarHBondContact O-N 3.34Å; K37-N41 WeakPolarHBondContact O-CB 3.31Å; K37-N41 PolarHBondContact O-N 2.8Å; K37-N41 PolarHBondContact O-ND2 2.97Å; K37-N41 PolarHBondContact O-OD1 3.38Å
38	Q	96.8	Very high	95.3	Very high	107 Å²	107	92.2 Å²	92.2	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175	-76.1	174.7	-20.1	0	0	112	K34 K35 I36	K34-Q38 VanDerWaalsContact O-CG 3.29Å; K34-Q38 WeakPolarHBondContact O-CG 3.08Å; K34-Q38 PolarHBondContact O-N 3.24Å; K35-Q38 PolarHBondContact O-N 3.12Å; I36-Q38 PolarHBondContact O-N 3.35Å
39	D	97.5	Very high	95.4	Very high	59 Å²	59	93.1 Å²	93.1	32%	0.316	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-44.4	179.4	-71	-11.2	0	0	0	110.9	K35 I36 K37 N41 S42 L43	K35-D39 WeakPolarHBondContact CE-OD1 3.29Å; K35-D39 VanDerWaalsContact CE-OD2 3.24Å; K35-D39 WeakPolarHBondContact CE-OD2 3.07Å; K35-D39 IonicContact NZ-OD1 2.65Å; K35-D39 PolarHBondContact NZ-OD1 3.37Å; K35-D39 IonicContact NZ-OD2 3.28Å; K35-D39 PolarHBondContact NZ-OD2 3.09Å; K35-D39 PolarHBondContact O-N 3.45Å; I36-D39 PolarHBondContact O-N 3.29Å; K37-D39 VanDerWaalsContact C-N 3.34Å; K37-D39 PolarHBondContact O-N 3.22Å; D39-N41 VanDerWaalsContact C-N 3.31Å; D39-N41 PolarHBondContact O-N 3.39Å; D39-S42 PolarHBondContact O-N 3.19Å; D39-S42 PolarHBondContact O-OG 3.28Å; D39-L43 HydrophobicContact CB-CD1 4.27Å; D39-L43 WeakPolarHBondContact O-CB 3.43Å; D39-L43 WeakPolarHBondContact O-CG 3.39Å; D39-L43 PolarHBondContact O-N 3.44Å
40	F	97.6	Very high	95.5	Very high	99 Å²	99	93.2 Å²	93.2	43%	0.434	48%	0.479	S	S	.	.	H	α-helix	trans	-60.3	-37.5	177.8	-80.2	12.8	0	0	0	112.8	I36 K37 S42 L43 F44	I36-F40 HydrophobicContact CG2-CD1 4.24Å; I36-F40 HydrophobicContact CG2-CD2 3.95Å; I36-F40 HydrophobicContact CG2-CE1 4.07Å; I36-F40 HydrophobicContact CG2-CE2 3.79Å; I36-F40 HydrophobicContact CG2-CG 4.21Å; I36-F40 HydrophobicContact CG2-CZ 3.86Å; I36-F40 VanDerWaalsContact O-CB 3.31Å; I36-F40 WeakPolarHBondContact O-CB 3.39Å; I36-F40 WeakPolarHBondContact O-CG 3.42Å; I36-F40 PolarHBondContact O-N 2.9Å; K37-F40 PolarHBondContact O-N 3.34Å; F40-S42 PolarHBondContact O-N 2.77Å; F40-L43 PolarHBondContact O-N 2.71Å; F40-F44 HydrophobicContact CB-CD2 3.71Å; F40-F44 HydrophobicContact CB-CE2 3.78Å; F40-F44 HydrophobicContact CD1-CE2 4.28Å; F40-F44 HydrophobicContact CD2-CD2 4.22Å; F40-F44 AromaticContact CD2-CE2 3.4Å; F40-F44 HydrophobicContact CD2-CE2 3.4Å; F40-F44 HydrophobicContact CD2-CZ 4.2Å; F40-F44 AromaticContact CE2-CE2 3.94Å; F40-F44 HydrophobicContact CE2-CE2 3.94Å; F40-F44 HydrophobicContact CE2-CZ 4.31Å; F40-F44 AromaticContact CG-CD2 4Å; F40-F44 HydrophobicContact CG-CD2 4Å; F40-F44 AromaticContact CG-CE2 3.56Å; F40-F44 HydrophobicContact CG-CE2 3.56Å; F40-F44 HydrophobicContact CG-CZ 4.5Å; F40-F44 WeakPolarHBondContact O-CB 3.39Å; F40-F44 WeakPolarHBondContact O-CD2 3.35Å; F40-F44 PolarHBondContact O-N 2.99Å
41	N	96.1	Very high	95.8	Very high	126 Å²	126	90.4 Å²	90.4	67%	0.674	47%	0.468	S	S	*	.	H	α-helix	trans	-60.2	-26.1	174.9	-73	-19.7	0	0	0	113.2	K37 D39 P45	K37-N41 WeakPolarHBondContact O-CB 3.31Å; K37-N41 PolarHBondContact O-N 2.8Å; K37-N41 PolarHBondContact O-ND2 2.97Å; K37-N41 PolarHBondContact O-OD1 3.38Å; D39-N41 VanDerWaalsContact C-N 3.31Å; D39-N41 PolarHBondContact O-N 3.39Å; N41-P45 WeakPolarHBondContact O-CD 3.35Å; N41-P45 WeakPolarHBondContact O-CG 3.5Å
42	S	93.5	Very high	95.9	Very high	60 Å²	60	88.4 Å²	88.4	42%	0.42	45%	0.453	S	S	.	.	H	α-helix	trans	-96.3	-39	176.2	74.3	0	0	0	0	112.9	D39 F40 N46	D39-S42 PolarHBondContact O-N 3.19Å; D39-S42 PolarHBondContact O-OG 3.28Å; F40-S42 PolarHBondContact O-N 2.77Å; S42-N46 PolarHBondContact O-ND2 2.85Å
43	L	96	Very high	96	Very high	106 Å²	106	89.7 Å²	89.7	56%	0.555	46%	0.46	S	S	*	.	H	α-helix	trans	-74.8	-43.4	-174.4	-69.4	173.7	0	0	0	111.9	D39 F40 N46 A47	D39-L43 HydrophobicContact CB-CD1 4.27Å; D39-L43 WeakPolarHBondContact O-CB 3.43Å; D39-L43 WeakPolarHBondContact O-CG 3.39Å; D39-L43 PolarHBondContact O-N 3.44Å; F40-L43 PolarHBondContact O-N 2.71Å; L43-N46 PolarHBondContact O-N 2.85Å; L43-A47 WeakPolarHBondContact O-CB 3.35Å; L43-A47 PolarHBondContact O-N 3.31Å
44	F	95.5	Very high	96.1	Very high	110 Å²	110	89.7 Å²	89.7	48%	0.482	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-49.9	-175.9	-83.5	-59.1	0	0	0	113.5	F40 N46 A47 I48	F40-F44 HydrophobicContact CB-CD2 3.71Å; F40-F44 HydrophobicContact CB-CE2 3.78Å; F40-F44 HydrophobicContact CD1-CE2 4.28Å; F40-F44 HydrophobicContact CD2-CD2 4.22Å; F40-F44 AromaticContact CD2-CE2 3.4Å; F40-F44 HydrophobicContact CD2-CE2 3.4Å; F40-F44 HydrophobicContact CD2-CZ 4.2Å; F40-F44 AromaticContact CE2-CE2 3.94Å; F40-F44 HydrophobicContact CE2-CE2 3.94Å; F40-F44 HydrophobicContact CE2-CZ 4.31Å; F40-F44 AromaticContact CG-CD2 4Å; F40-F44 HydrophobicContact CG-CD2 4Å; F40-F44 AromaticContact CG-CE2 3.56Å; F40-F44 HydrophobicContact CG-CE2 3.56Å; F40-F44 HydrophobicContact CG-CZ 4.5Å; F40-F44 WeakPolarHBondContact O-CB 3.39Å; F40-F44 WeakPolarHBondContact O-CD2 3.35Å; F40-F44 PolarHBondContact O-N 2.99Å; F44-N46 PolarHBondContact O-N 3.11Å; F44-A47 PolarHBondContact O-N 3.09Å; F44-A47 VanDerWaalsContact O-N 3.17Å; F44-I48 HydrophobicContact CB-CD1 4.28Å; F44-I48 WeakPolarHBondContact O-CB 3.23Å; F44-I48 VanDerWaalsContact O-CG1 3.23Å; F44-I48 WeakPolarHBondContact O-CG1 3.34Å; F44-I48 PolarHBondContact O-N 2.83Å
45	P	94.7	Very high	96.2	Very high	75 Å²	75	84.9 Å²	84.9	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-59.6	-38.2	178.4	-24.8	35.4	0	0	0	112.1	N41 K49	N41-P45 WeakPolarHBondContact O-CD 3.35Å; N41-P45 WeakPolarHBondContact O-CG 3.5Å; P45-K49 WeakPolarHBondContact O-CB 3.33Å; P45-K49 WeakPolarHBondContact O-CG 3.32Å; P45-K49 PolarHBondContact O-N 3.17Å; P45-K49 VanDerWaalsContact O-N 3.09Å
46	N	92.8	Very high	96.3	Very high	77 Å²	77	83.8 Å²	83.8	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-70.7	-33.3	178.2	-75.9	-45.9	0	0	0	113.5	S42 L43 F44 K49 N50	S42-N46 PolarHBondContact O-ND2 2.85Å; L43-N46 PolarHBondContact O-N 2.85Å; F44-N46 PolarHBondContact O-N 3.11Å; N46-K49 WeakPolarHBondContact O-CG 3.37Å; N46-K49 WeakPolarHBondContact OD1-CE 2.97Å; N46-K49 PolarHBondContact OD1-NZ 3.28Å; N46-N50 PolarHBondContact O-ND2 3.27Å; N46-N50 VanDerWaalsContact O-ND2 3.11Å
47	A	95	Very high	96.4	Very high	52 Å²	52	83.8 Å²	83.8	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-75.5	-45.9	175.1	0	0	0	0	0	111.4	L43 F44 K49 N50	L43-A47 WeakPolarHBondContact O-CB 3.35Å; L43-A47 PolarHBondContact O-N 3.31Å; F44-A47 PolarHBondContact O-N 3.09Å; F44-A47 VanDerWaalsContact O-N 3.17Å; A47-K49 PolarHBondContact O-N 3.17Å; A47-N50 PolarHBondContact O-N 3.13Å; A47-N50 VanDerWaalsContact O-N 3.16Å
48	I	96.2	Very high	96.5	Very high	103 Å²	103	80.4 Å²	80.4	53%	0.528	43%	0.429	S	S	.	.	H	α-helix	trans	-64	-41.5	-177	-69	167.8	0	0	0	111.2	F44 N50 I51	F44-I48 HydrophobicContact CB-CD1 4.28Å; F44-I48 WeakPolarHBondContact O-CB 3.23Å; F44-I48 VanDerWaalsContact O-CG1 3.23Å; F44-I48 WeakPolarHBondContact O-CG1 3.34Å; F44-I48 PolarHBondContact O-N 2.83Å; I48-N50 PolarHBondContact O-N 3.47Å; I48-N50 VanDerWaalsContact O-N 3.17Å; I48-I51 WeakPolarHBondContact O-CB 3.17Å; I48-I51 WeakPolarHBondContact O-CG1 3.49Å; I48-I51 PolarHBondContact O-N 3.05Å
49	K	95.2	Very high	96.6	Very high	139 Å²	139	79 Å²	79	60%	0.604	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.8	178.2	74.8	-175	-170.9	-176	0	113.6	P45 N46 A47 I51	P45-K49 WeakPolarHBondContact O-CB 3.33Å; P45-K49 WeakPolarHBondContact O-CG 3.32Å; P45-K49 PolarHBondContact O-N 3.17Å; P45-K49 VanDerWaalsContact O-N 3.09Å; N46-K49 WeakPolarHBondContact O-CG 3.37Å; N46-K49 WeakPolarHBondContact OD1-CE 2.97Å; N46-K49 PolarHBondContact OD1-NZ 3.28Å; A47-K49 PolarHBondContact O-N 3.17Å; K49-I51 VanDerWaalsContact C-N 3.34Å
50	N	94.6	Very high	96.7	Very high	78 Å²	78	78.8 Å²	78.8	42%	0.417	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	10.6	178.9	-65.1	-17.9	0	0	0	112.1	N46 A47 I48 A113 S114	N46-N50 PolarHBondContact O-ND2 3.27Å; N46-N50 VanDerWaalsContact O-ND2 3.11Å; A47-N50 PolarHBondContact O-N 3.13Å; A47-N50 VanDerWaalsContact O-N 3.16Å; I48-N50 PolarHBondContact O-N 3.47Å; I48-N50 VanDerWaalsContact O-N 3.17Å; N50-A113 WeakPolarHBondContact O-CA 3.47Å; N50-A113 PolarHBondContact O-N 3.08Å; N50-A113 VanDerWaalsContact O-N 3.08Å; N50-S114 PolarHBondContact O-N 3.16Å; N50-S114 VanDerWaalsContact O-N 3.13Å
51	I	97.4	Very high	96.7	Very high	67 Å²	67	85 Å²	85	34%	0.344	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114.8	171.1	-61.3	175.9	0	0	0	108.3	I48 K49 L110 Q111	I48-I51 WeakPolarHBondContact O-CB 3.17Å; I48-I51 WeakPolarHBondContact O-CG1 3.49Å; I48-I51 PolarHBondContact O-N 3.05Å; K49-I51 VanDerWaalsContact C-N 3.34Å; I51-L110 HydrophobicContact CG2-CB 3.97Å; I51-L110 HydrophobicContact CG2-CD1 4.43Å; I51-L110 HydrophobicContact CG2-CD2 4.01Å; I51-L110 HydrophobicContact CG2-CG 4.35Å; I51-Q111 CarbonylContact C-O 3.59Å; I51-Q111 WeakPolarHBondContact CA-O 3.47Å
52	G	96.5	Very high	96.8	Very high	20 Å²	20	80.3 Å²	80.3	21%	0.206	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	164.8	170.6	0	0	0	0	0	112.4	Q111	G52-Q111 PolarHBondContact N-O 2.98Å; G52-Q111 PolarHBondContact O-N 2.82Å
53	L	98	Very high	97	Very high	117 Å²	117	83.1 Å²	83.1	61%	0.613	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.3	167.9	-175.3	68.3	0	0	0	108.6	C108 L110	L53-C108 HydrophobicContact CD1-CB 4.28Å; L53-L110 HydrophobicContact CD1-CD2 4.27Å
54	N	98.1	Very high	97.2	Very high	57 Å²	57	81.2 Å²	81.2	31%	0.305	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.1	179.2	-174	-0.2	0	0	0	110.1	C108 K109 Q111	N54-C108 CarbonylContact O-C 3.6Å; N54-C108 VanDerWaalsContact O-CA 3.25Å; N54-C108 WeakPolarHBondContact O-CA 3.28Å; N54-K109 PolarHBondContact N-O 2.9Å; N54-K109 PolarHBondContact O-N 3.07Å; N54-Q111 HydrophobicContact CB-CB 4.05Å; N54-Q111 PolarHBondContact ND2-OE1 3.34Å
55	C	98.6	Very high	97.3	Very high	36 Å²	36	76 Å²	76	24%	0.243	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.5	-174.8	-66.2	0	0	0	0	112.2	R106 C107 C108	C55-R106 PolarHBondContact O-NH2 2.71Å; C55-C107 CarbonylContact C-O 3.6Å; C55-C107 VanDerWaalsContact CA-O 3.23Å; C55-C107 WeakPolarHBondContact CA-O 3.33Å; C55-C108 HydrophobicContact CB-CB 4.16Å; C55-C108 WeakPolarHBondContact CB-SG 3.3Å; C55-C108 WeakPolarHBondContact SG-CB 3.48Å; C55-C108 CovalentContact SG-SG 2.03Å; C55-C108 PolarHBondContact SG-SG 2.91Å
56	W	98.7	Very high	97.5	Very high	83 Å²	83	75.1 Å²	75.1	31%	0.314	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	172.9	174.6	63.4	95	0	0	0	111.1	P68 T71 C107 K109	W56-P68 HydrophobicContact CZ2-CG 3.69Å; W56-T71 HydrophobicContact CH2-CG2 3.35Å; W56-T71 HydrophobicContact CZ2-CG2 3.55Å; W56-T71 HydrophobicContact CZ3-CG2 4.32Å; W56-C107 PolarHBondContact N-O 2.84Å; W56-C107 PolarHBondContact O-N 3.48Å; W56-K109 HydrophobicContact CH2-CD 3.87Å; W56-K109 HydrophobicContact CH2-CG 4.07Å; W56-K109 HydrophobicContact CZ3-CD 4.24Å; W56-K109 HydrophobicContact CZ3-CG 4.04Å
57	T	98.9	Very high	97.8	Very high	76 Å²	76	71.5 Å²	71.5	47%	0.466	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.9	-179.7	-60.2	0	0	0	0	109.6	A104 A105 R106	T57-A104 HydrophobicContact CG2-CB 3.78Å; T57-A105 CarbonylContact C-O 3.56Å; T57-A105 WeakPolarHBondContact CA-O 3.39Å; T57-R106 WeakPolarHBondContact OG1-CD 3.06Å; T57-R106 PolarHBondContact OG1-NH1 2.9Å
58	V	98.8	Very high	98	Very high	42 Å²	42	71.7 Å²	71.7	26%	0.255	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.9	168.3	178.6	0	0	0	0	107.6	S66 A104 A105	V58-S66 WeakPolarHBondContact CG1-O 3.26Å; V58-A104 CarbonylContact O-C 3.34Å; V58-A104 WeakPolarHBondContact O-CA 3.11Å; V58-A105 PolarHBondContact N-O 3.39Å; V58-A105 PolarHBondContact O-N 2.93Å
59	S	98.7	Very high	98.1	Very high	76 Å²	76	75.6 Å²	75.6	53%	0.531	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.9	177	-174	0	0	0	0	110.5	T103	S59-T103 WeakPolarHBondContact CA-O 3.42Å; S59-T103 PolarHBondContact OG-O 2.9Å
60	S	98.7	Very high	98.2	Very high	56 Å²	56	71.7 Å²	71.7	39%	0.392	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.9	178.4	172.7	0	0	0	0	110.2	L64 W102 T103	S60-L64 VanDerWaalsContact CB-O 3.27Å; S60-L64 WeakPolarHBondContact CB-O 3.43Å; S60-L64 PolarHBondContact OG-O 2.84Å; S60-W102 CarbonylContact O-C 3.6Å; S60-W102 VanDerWaalsContact O-CA 3.3Å; S60-W102 WeakPolarHBondContact O-CA 3.39Å; S60-W102 WeakPolarHBondContact O-CB 3.03Å; S60-T103 PolarHBondContact N-O 3.23Å; S60-T103 PolarHBondContact O-N 3.4Å
61	R	98.5	Very high	98.4	Very high	229 Å²	229	69.1 Å²	69.1	86%	0.864	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	146.9	172.4	-59.4	-174.6	95.7	177.7	7.7	109.9	D101	R61-D101 WeakPolarHBondContact CA-O 3.5Å
62	G	98	Very high	98.4	Very high	27 Å²	27	67.3 Å²	67.3	28%	0.278	38%	0.378	S	S	.	.	S	Bend	trans	80.9	-161.2	-177.4	0	0	0	0	0	113.3	L64 I100 D101 W102 T103	G62-L64 PolarHBondContact O-N 2.03Å; G62-I100 WeakPolarHBondContact O-CG2 3.43Å; G62-D101 PolarHBondContact N-O 2.85Å; G62-W102 CarbonylContact O-C 3.55Å; G62-T103 WeakPolarHBondContact O-CB 3.31Å; G62-T103 PolarHBondContact O-N 3.46Å; G62-T103 PolarHBondContact O-OG1 3.15Å
63	K	98.6	Very high	98.5	Very high	119 Å²	119	66.9 Å²	66.9	52%	0.517	37%	0.372	S	S	.	.	S	Bend	trans	-87.8	1.6	-164.3	71.5	-178.3	-174.9	174.1	0	116.1	H94 C95 T103	K63-H94 CarbonylContact O-C 3.56Å; K63-H94 VanDerWaalsContact O-CA 3.29Å; K63-H94 WeakPolarHBondContact O-CA 3.24Å; K63-C95 WeakPolarHBondContact CB-O 3.44Å; K63-C95 PolarHBondContact O-N 2.01Å; K63-T103 VanDerWaalsContact CA-OG1 3.28Å; K63-T103 WeakPolarHBondContact CA-OG1 3.5Å; K63-T103 PolarHBondContact O-OG1 3.02Å
64	L	98.8	Very high	98.6	Very high	67 Å²	67	66.6 Å²	66.6	35%	0.351	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139	-175.5	-61.8	175.8	0	0	0	110.9	S60 G62 V92 C93 H94 T103	S60-L64 VanDerWaalsContact CB-O 3.27Å; S60-L64 WeakPolarHBondContact CB-O 3.43Å; S60-L64 PolarHBondContact OG-O 2.84Å; G62-L64 PolarHBondContact O-N 2.03Å; L64-V92 HydrophobicContact CB-CG1 4.33Å; L64-V92 HydrophobicContact CD2-CG1 3.93Å; L64-C93 VanDerWaalsContact CA-O 3.31Å; L64-C93 WeakPolarHBondContact CA-O 3.04Å; L64-H94 HydrophobicContact CD2-CB 3.8Å; L64-T103 PolarHBondContact N-OG1 3.24Å
65	A	98.8	Very high	98.6	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.008	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.9	162.9	0	0	0	0	0	109.3	V92 C93 T103 A105	A65-V92 WeakPolarHBondContact O-CA 3Å; A65-C93 PolarHBondContact N-O 3.28Å; A65-C93 VanDerWaalsContact N-O 3.07Å; A65-C93 PolarHBondContact O-N 2.89Å; A65-T103 HydrophobicContact CB-CG2 3.79Å; A65-T103 WeakPolarHBondContact CB-O 3.34Å; A65-A105 HydrophobicContact CB-CB 4.05Å
66	S	98.8	Very high	98.6	Very high	56 Å²	56	65.3 Å²	65.3	39%	0.392	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.6	-173.8	-174.4	0	0	0	0	110.2	V58	V58-S66 WeakPolarHBondContact CG1-O 3.26Å
67	C	98.7	Very high	98.6	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.007	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-75	145	170.9	-74.5	0	0	0	0	110.9	T71 V73 K91 C107	C67-T71 WeakPolarHBondContact CB-OG1 3.5Å; C67-V73 HydrophobicContact CB-CG2 4.05Å; C67-V73 WeakPolarHBondContact SG-CG2 3.06Å; C67-K91 PolarHBondContact N-O 2.83Å; C67-K91 PolarHBondContact O-NZ 3.48Å; C67-C107 WeakPolarHBondContact CA-SG 3.01Å; C67-C107 HydrophobicContact CB-CB 3.81Å; C67-C107 WeakPolarHBondContact CB-SG 3.42Å; C67-C107 WeakPolarHBondContact SG-CA 3.5Å; C67-C107 WeakPolarHBondContact SG-CB 3.43Å; C67-C107 CovalentContact SG-SG 2.02Å; C67-C107 PolarHBondContact SG-SG 2.91Å
68	P	98.5	Very high	98.6	Very high	56 Å²	56	61.1 Å²	61.1	36%	0.364	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-63.9	160.6	176.9	27.9	-33.8	0	0	0	111.1	W56 T71	W56-P68 HydrophobicContact CZ2-CG 3.69Å; P68-T71 WeakPolarHBondContact CD-OG1 3.39Å; P68-T71 HydrophobicContact CG-CG2 4.07Å; P68-T71 PolarHBondContact O-N 3.06Å; P68-T71 PolarHBondContact O-OG1 3.02Å
69	E	98.1	Very high	98.6	Very high	185 Å²	185	59.2 Å²	59.2	86%	0.864	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	145.4	174.5	-166.7	178.3	169.6	0	0	111.6	T71	E69-T71 VanDerWaalsContact C-N 3.32Å
70	G	97.8	Very high	98.5	Very high	57 Å²	57	59.5 Å²	59.5	59%	0.588	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	15.7	-175.6	0	0	0	0	0	114.6	K109	G70-K109 WeakPolarHBondContact O-CB 3.48Å
71	T	98.6	Very high	98.4	Very high	23 Å²	23	61.8 Å²	61.8	14%	0.141	37%	0.366	C	S	.	.			trans	-133.8	157	170.6	66	0	0	0	0	110.2	W56 C67 P68 E69 C108 K109	W56-T71 HydrophobicContact CH2-CG2 3.35Å; W56-T71 HydrophobicContact CZ2-CG2 3.55Å; W56-T71 HydrophobicContact CZ3-CG2 4.32Å; C67-T71 WeakPolarHBondContact CB-OG1 3.5Å; P68-T71 WeakPolarHBondContact CD-OG1 3.39Å; P68-T71 HydrophobicContact CG-CG2 4.07Å; P68-T71 PolarHBondContact O-N 3.06Å; P68-T71 PolarHBondContact O-OG1 3.02Å; E69-T71 VanDerWaalsContact C-N 3.32Å; T71-C108 VanDerWaalsContact CA-O 3.31Å; T71-C108 WeakPolarHBondContact CA-O 3.27Å; T71-C108 WeakPolarHBondContact CB-O 3.45Å; T71-K109 HydrophobicContact CG2-CB 4.01Å; T71-K109 HydrophobicContact CG2-CD 3.98Å; T71-K109 HydrophobicContact CG2-CG 4.13Å
72	A	98.7	Very high	98.4	Very high	30 Å²	30	51.5 Å²	51.5	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.1	172.1	0	0	0	0	0	110.6	L74 C107 C108	A72-L74 PolarHBondContact O-N 2.83Å; A72-C107 WeakPolarHBondContact O-CA 3.18Å; A72-C108 PolarHBondContact N-O 3.36Å; A72-C108 PolarHBondContact O-N 3.19Å
73	V	98.8	Very high	98.4	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.5	170	179.5	0	0	0	0	108.7	C67 I87 E90 K91 C93 A105 R106	C67-V73 HydrophobicContact CB-CG2 4.05Å; C67-V73 WeakPolarHBondContact SG-CG2 3.06Å; V73-I87 HydrophobicContact CB-CD1 4.32Å; V73-I87 HydrophobicContact CB-CG2 3.94Å; V73-I87 HydrophobicContact CG1-CD1 3.67Å; V73-I87 HydrophobicContact CG1-CG1 3.84Å; V73-I87 HydrophobicContact CG1-CG2 4.14Å; V73-I87 HydrophobicContact CG2-CG2 4.41Å; V73-E90 WeakPolarHBondContact CG2-O 3.25Å; V73-E90 PolarHBondContact N-O 3.38Å; V73-K91 VanDerWaalsContact CG2-O 3.23Å; V73-K91 WeakPolarHBondContact CG2-O 3.33Å; V73-C93 WeakPolarHBondContact CG1-SG 3.31Å; V73-A105 HydrophobicContact CG1-CB 4.48Å; V73-A105 HydrophobicContact CG2-CB 4.32Å; V73-R106 WeakPolarHBondContact CA-O 3.02Å
74	L	98.6	Very high	98.4	Very high	111 Å²	111	50.6 Å²	50.6	58%	0.581	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	-30.9	172	-65.5	-162.1	0	0	0	113.3	A72 R106 C108	A72-L74 PolarHBondContact O-N 2.83Å; L74-R106 PolarHBondContact N-O 3.37Å; L74-C108 HydrophobicContact CD1-CB 3.82Å; L74-C108 WeakPolarHBondContact CD1-SG 3.45Å; L74-C108 HydrophobicContact CG-CB 3.99Å
75	S	98.8	Very high	98.4	Very high	53 Å²	53	52.5 Å²	52.5	37%	0.371	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	159.8	177.8	64	0	0	0	0	111.7	R106	S75-R106 PolarHBondContact O-N 3.38Å; S75-R106 VanDerWaalsContact OG-CB 3.26Å; S75-R106 WeakPolarHBondContact OG-CB 3.23Å
76	C	98.8	Very high	98.4	Very high	13 Å²	13	54.4 Å²	54.4	9%	0.088	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.5	175.5	-54.2	0	0	0	0	110.9	W85 I87 C93 A104	C76-W85 HydrophobicContact CB-CB 4.11Å; C76-W85 HydrophobicContact CB-CD2 3.58Å; C76-W85 HydrophobicContact CB-CE3 3.66Å; C76-W85 HydrophobicContact CB-CG 3.78Å; C76-W85 HydrophobicContact CB-CZ3 4.3Å; C76-I87 VanDerWaalsContact SG-CG1 3.59Å; C76-C93 WeakPolarHBondContact CA-SG 3.42Å; C76-C93 HydrophobicContact CB-CB 3.75Å; C76-C93 WeakPolarHBondContact CB-SG 3.36Å; C76-C93 VanDerWaalsContact SG-CA 3.55Å; C76-C93 WeakPolarHBondContact SG-CB 3.4Å; C76-C93 CovalentContact SG-SG 2.03Å; C76-C93 PolarHBondContact SG-SG 2.93Å; C76-A104 CarbonylContact C-O 3.56Å; C76-A104 WeakPolarHBondContact CA-O 3.33Å
77	S	98.8	Very high	98.4	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.7	166.3	-174.7	0	0	0	0	109.1	A104	S77-A104 PolarHBondContact N-O 2.03Å; S77-A104 PolarHBondContact O-N 3.13Å
78	C	98.7	Very high	98.4	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.068	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.3	-176	-56	0	0	0	0	109.6	C82 C95 I100	C78-C82 HydrophobicContact CB-CB 3.68Å; C78-C82 VanDerWaalsContact CB-O 3.31Å; C78-C82 WeakPolarHBondContact CB-O 3.45Å; C78-C95 WeakPolarHBondContact CA-SG 3.45Å; C78-C95 HydrophobicContact CB-CB 3.81Å; C78-C95 WeakPolarHBondContact CB-SG 3.16Å; C78-C95 WeakPolarHBondContact SG-CB 3Å; C78-C95 CovalentContact SG-SG 2.01Å; C78-C95 PolarHBondContact SG-SG 3.19Å; C78-I100 HydrophobicContact CB-CD1 4.2Å
79	G	98.3	Very high	98.4	Very high	2 Å²	2	65.7 Å²	65.7	2%	0.021	39%	0.394	C	S	.	.	S	Bend	trans	-67.6	177.8	168.2	0	0	0	0	0	112.6	A81 C82 D101 W102	G79-A81 PolarHBondContact O-N 2.87Å; G79-A81 VanDerWaalsContact O-N 3.11Å; G79-C82 WeakPolarHBondContact O-CB 3.23Å; G79-C82 PolarHBondContact O-N 2.83Å; G79-C82 VanDerWaalsContact O-N 3.11Å; G79-D101 WeakPolarHBondContact CA-OD1 3.43Å; G79-W102 VanDerWaalsContact CA-CE2 3.42Å; G79-W102 PolarHBondContact N-O 2.86Å
80	S	97.2	Very high	98.4	Very high	81 Å²	81	63.8 Å²	63.8	57%	0.566	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	29.2	-179.9	-55.2	0	0	0	0	114.6	C82 D101	S80-C82 PolarHBondContact O-N 2.72Å; S80-C82 VanDerWaalsContact O-N 3.12Å; S80-D101 PolarHBondContact N-OD1 2.03Å; S80-D101 VanDerWaalsContact N-OD1 3.07Å; S80-D101 PolarHBondContact OG-OD1 2.85Å
81	A	97	Very high	98.5	Very high	105 Å²	105	65 Å²	65	87%	0.868	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	27.1	-175.9	0	0	0	0	0	114.2	G79 G83	G79-A81 PolarHBondContact O-N 2.87Å; G79-A81 VanDerWaalsContact O-N 3.11Å; A81-G83 PolarHBondContact O-N 2.02Å
82	C	98.2	Very high	98.5	Very high	13 Å²	13	65.4 Å²	65.4	9%	0.088	38%	0.377	C	S	.	.			trans	-71.9	116.1	179.1	177.9	0	0	0	0	111.1	C78 G79 S80 S84 C97 I100	C78-C82 HydrophobicContact CB-CB 3.68Å; C78-C82 VanDerWaalsContact CB-O 3.31Å; C78-C82 WeakPolarHBondContact CB-O 3.45Å; G79-C82 WeakPolarHBondContact O-CB 3.23Å; G79-C82 PolarHBondContact O-N 2.83Å; G79-C82 VanDerWaalsContact O-N 3.11Å; S80-C82 PolarHBondContact O-N 2.72Å; S80-C82 VanDerWaalsContact O-N 3.12Å; C82-S84 PolarHBondContact SG-O 2.98Å; C82-S84 VanDerWaalsContact SG-O 3.39Å; C82-C97 HydrophobicContact CB-CB 3.8Å; C82-C97 WeakPolarHBondContact CB-SG 3.31Å; C82-C97 WeakPolarHBondContact SG-CB 3.29Å; C82-C97 CovalentContact SG-SG 2.03Å; C82-C97 PolarHBondContact SG-SG 3.11Å; C82-I100 HydrophobicContact CB-CD1 3.41Å; C82-I100 VanDerWaalsContact CB-CD1 3.41Å
83	G	98.2	Very high	98.5	Very high	65 Å²	65	64 Å²	64	67%	0.67	37%	0.365	S	S	*	.			trans	-89.8	-1.9	174.5	0	0	0	0	0	114.7	A81	A81-G83 PolarHBondContact O-N 2.02Å
84	S	98.6	Very high	98.5	Very high	61 Å²	61	64.6 Å²	64.6	43%	0.427	37%	0.367	S	S	.	.			trans	-99.4	104.8	-176.8	-59	0	0	0	0	110.9	C82 Q96	C82-S84 PolarHBondContact SG-O 2.98Å; C82-S84 VanDerWaalsContact SG-O 3.39Å; S84-Q96 WeakPolarHBondContact O-CB 3.48Å; S84-Q96 PolarHBondContact O-N 2.89Å
85	W	98.7	Very high	98.5	Very high	107 Å²	107	59.3 Å²	59.3	41%	0.405	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.6	177.6	49	-97.6	0	0	0	111.9	C76 I87 H94	C76-W85 HydrophobicContact CB-CB 4.11Å; C76-W85 HydrophobicContact CB-CD2 3.58Å; C76-W85 HydrophobicContact CB-CE3 3.66Å; C76-W85 HydrophobicContact CB-CG 3.78Å; C76-W85 HydrophobicContact CB-CZ3 4.3Å; W85-I87 HydrophobicContact CE3-CG1 4.47Å; W85-I87 HydrophobicContact CZ3-CD1 4.25Å; W85-I87 HydrophobicContact CZ3-CG1 4.25Å; W85-H94 CarbonylContact C-O 3.58Å; W85-H94 WeakPolarHBondContact CA-O 3.4Å; W85-H94 WeakPolarHBondContact CB-O 3.33Å
86	D	98.8	Very high	98.5	Very high	42 Å²	42	61.7 Å²	61.7	23%	0.225	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.5	170.5	61.8	-89.1	0	0	0	111.3	R88 H94 Q96	D86-R88 VanDerWaalsContact OD2-CG 3.24Å; D86-R88 WeakPolarHBondContact OD2-CG 3.45Å; D86-R88 IonicContact OD2-NE 3.31Å; D86-R88 PolarHBondContact OD2-NE 2.75Å; D86-H94 PolarHBondContact N-O 3.11Å; D86-H94 PolarHBondContact O-N 3.12Å; D86-H94 IonicContact OD1-CE1 3.82Å; D86-H94 IonicContact OD1-CG 3.57Å; D86-H94 IonicContact OD1-ND1 2.75Å; D86-H94 PolarHBondContact OD1-ND1 2.83Å; D86-H94 IonicContact OD2-ND1 3.8Å; D86-Q96 WeakPolarHBondContact OD1-CG 3Å; D86-Q96 PolarHBondContact OD1-NE2 3.07Å
87	I	98.8	Very high	98.4	Very high	65 Å²	65	63.4 Å²	63.4	33%	0.333	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.4	170.7	-60.3	172.4	0	0	0	107.6	V73 C76 W85 V92	V73-I87 HydrophobicContact CB-CD1 4.32Å; V73-I87 HydrophobicContact CB-CG2 3.94Å; V73-I87 HydrophobicContact CG1-CD1 3.67Å; V73-I87 HydrophobicContact CG1-CG1 3.84Å; V73-I87 HydrophobicContact CG1-CG2 4.14Å; V73-I87 HydrophobicContact CG2-CG2 4.41Å; C76-I87 VanDerWaalsContact SG-CG1 3.59Å; W85-I87 HydrophobicContact CE3-CG1 4.47Å; W85-I87 HydrophobicContact CZ3-CD1 4.25Å; W85-I87 HydrophobicContact CZ3-CG1 4.25Å; I87-V92 CarbonylContact C-O 3.54Å; I87-V92 WeakPolarHBondContact CA-O 3.4Å
88	R	98.6	Very high	98.3	Very high	105 Å²	105	65.8 Å²	65.8	40%	0.396	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.3	178.3	-54.9	178.5	-180	-173.5	-4.2	109.7	D86 E90 K91 V92 H94	D86-R88 VanDerWaalsContact OD2-CG 3.24Å; D86-R88 WeakPolarHBondContact OD2-CG 3.45Å; D86-R88 IonicContact OD2-NE 3.31Å; D86-R88 PolarHBondContact OD2-NE 2.75Å; R88-E90 PolarHBondContact O-N 2.85Å; R88-E90 VanDerWaalsContact O-N 3.13Å; R88-K91 PolarHBondContact O-N 2.75Å; R88-V92 HydrophobicContact CB-CB 4.34Å; R88-V92 PolarHBondContact N-O 3.31Å; R88-V92 PolarHBondContact O-N 3.12Å; R88-V92 VanDerWaalsContact O-N 3.12Å; R88-H94 PolarHBondContact NH2-CD2 2.97Å; R88-H94 PolarHBondContact NH2-CE1 2.85Å; R88-H94 PolarHBondContact NH2-ND1 2.83Å; R88-H94 PolarHBondContact NH2-NE2 3.39Å
89	E	98.3	Very high	98.1	Very high	180 Å²	180	75.8 Å²	75.8	84%	0.841	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.3	176	-52.7	-56.5	148.5	0	0	112.8	K91	E89-K91 WeakPolarHBondContact O-CB 3.45Å; E89-K91 PolarHBondContact O-N 2.94Å
90	E	98.4	Very high	98.1	Very high	144 Å²	144	77 Å²	77	67%	0.673	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	10.7	-177.3	-58.2	-176.7	-161.1	0	0	115.5	V73 R88	V73-E90 WeakPolarHBondContact CG2-O 3.25Å; V73-E90 PolarHBondContact N-O 3.38Å; R88-E90 PolarHBondContact O-N 2.85Å; R88-E90 VanDerWaalsContact O-N 3.13Å
91	K	98.7	Very high	98.1	Very high	83 Å²	83	76.9 Å²	76.9	36%	0.361	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-35.7	-166.6	-177.3	172.5	179.3	60.7	0	114	C67 V73 R88 E89	C67-K91 PolarHBondContact N-O 2.83Å; C67-K91 PolarHBondContact O-NZ 3.48Å; V73-K91 VanDerWaalsContact CG2-O 3.23Å; V73-K91 WeakPolarHBondContact CG2-O 3.33Å; R88-K91 PolarHBondContact O-N 2.75Å; E89-K91 WeakPolarHBondContact O-CB 3.45Å; E89-K91 PolarHBondContact O-N 2.94Å
92	V	98.9	Very high	98.2	Very high	32 Å²	32	76.2 Å²	76.2	19%	0.194	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.6	-171.3	-174.1	0	0	0	0	110.5	L64 A65 I87 R88	L64-V92 HydrophobicContact CB-CG1 4.33Å; L64-V92 HydrophobicContact CD2-CG1 3.93Å; A65-V92 WeakPolarHBondContact O-CA 3Å; I87-V92 CarbonylContact C-O 3.54Å; I87-V92 WeakPolarHBondContact CA-O 3.4Å; R88-V92 HydrophobicContact CB-CB 4.34Å; R88-V92 PolarHBondContact N-O 3.31Å; R88-V92 PolarHBondContact O-N 3.12Å; R88-V92 VanDerWaalsContact O-N 3.12Å
93	C	98.9	Very high	98.2	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.5	164.3	-76.9	0	0	0	0	110.1	L64 A65 V73 C76 T103 A105	L64-C93 VanDerWaalsContact CA-O 3.31Å; L64-C93 WeakPolarHBondContact CA-O 3.04Å; A65-C93 PolarHBondContact N-O 3.28Å; A65-C93 VanDerWaalsContact N-O 3.07Å; A65-C93 PolarHBondContact O-N 2.89Å; V73-C93 WeakPolarHBondContact CG1-SG 3.31Å; C76-C93 WeakPolarHBondContact CA-SG 3.42Å; C76-C93 HydrophobicContact CB-CB 3.75Å; C76-C93 WeakPolarHBondContact CB-SG 3.36Å; C76-C93 VanDerWaalsContact SG-CA 3.55Å; C76-C93 WeakPolarHBondContact SG-CB 3.4Å; C76-C93 CovalentContact SG-SG 2.03Å; C76-C93 PolarHBondContact SG-SG 2.93Å; C93-T103 HydrophobicContact CB-CG2 3.78Å; C93-A105 HydrophobicContact CB-CB 4.07Å; C93-A105 VanDerWaalsContact SG-CA 3.58Å; C93-A105 VanDerWaalsContact SG-CB 3.51Å
94	H	98.8	Very high	98.2	Very high	22 Å²	22	72.9 Å²	72.9	10%	0.102	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.2	172.6	172.3	-115.2	0	0	0	110.9	K63 L64 W85 D86 R88	K63-H94 CarbonylContact O-C 3.56Å; K63-H94 VanDerWaalsContact O-CA 3.29Å; K63-H94 WeakPolarHBondContact O-CA 3.24Å; L64-H94 HydrophobicContact CD2-CB 3.8Å; W85-H94 CarbonylContact C-O 3.58Å; W85-H94 WeakPolarHBondContact CA-O 3.4Å; W85-H94 WeakPolarHBondContact CB-O 3.33Å; D86-H94 PolarHBondContact N-O 3.11Å; D86-H94 PolarHBondContact O-N 3.12Å; D86-H94 IonicContact OD1-CE1 3.82Å; D86-H94 IonicContact OD1-CG 3.57Å; D86-H94 IonicContact OD1-ND1 2.75Å; D86-H94 PolarHBondContact OD1-ND1 2.83Å; D86-H94 IonicContact OD2-ND1 3.8Å; R88-H94 PolarHBondContact NH2-CD2 2.97Å; R88-H94 PolarHBondContact NH2-CE1 2.85Å; R88-H94 PolarHBondContact NH2-ND1 2.83Å; R88-H94 PolarHBondContact NH2-NE2 3.39Å
95	C	98.8	Very high	98.3	Very high	1 Å²	1	70 Å²	70	1%	0.007	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.4	172.8	-65.6	0	0	0	0	110.1	K63 C78 I100 T103	K63-C95 WeakPolarHBondContact CB-O 3.44Å; K63-C95 PolarHBondContact O-N 2.01Å; C78-C95 WeakPolarHBondContact CA-SG 3.45Å; C78-C95 HydrophobicContact CB-CB 3.81Å; C78-C95 WeakPolarHBondContact CB-SG 3.16Å; C78-C95 WeakPolarHBondContact SG-CB 3Å; C78-C95 CovalentContact SG-SG 2.01Å; C78-C95 PolarHBondContact SG-SG 3.19Å; C95-I100 HydrophobicContact CB-CD1 3.95Å; C95-I100 HydrophobicContact CB-CG1 3.87Å; C95-I100 HydrophobicContact CB-CG2 4.13Å; C95-T103 WeakPolarHBondContact SG-CG2 3.48Å; C95-T103 PolarHBondContact SG-OG1 2.78Å
96	Q	98.5	Very high	98.3	Very high	103 Å²	103	69.6 Å²	69.6	48%	0.481	34%	0.335	S	S	.	.			trans	-95.6	-13	-165.2	-62.6	174.3	-17.9	0	0	114	S84 D86	S84-Q96 WeakPolarHBondContact O-CB 3.48Å; S84-Q96 PolarHBondContact O-N 2.89Å; D86-Q96 WeakPolarHBondContact OD1-CG 3Å; D86-Q96 PolarHBondContact OD1-NE2 3.07Å
97	C	98	Very high	98.3	Very high	49 Å²	49	67.6 Å²	67.6	33%	0.331	33%	0.325	S	S	.	.	S	Bend	trans	-68	152.9	-178.2	-54.4	0	0	0	0	112.2	C82 R99 I100	C82-C97 HydrophobicContact CB-CB 3.8Å; C82-C97 WeakPolarHBondContact CB-SG 3.31Å; C82-C97 WeakPolarHBondContact SG-CB 3.29Å; C82-C97 CovalentContact SG-SG 2.03Å; C82-C97 PolarHBondContact SG-SG 3.11Å; C97-R99 VanDerWaalsContact C-N 3.35Å; C97-R99 PolarHBondContact O-N 2.85Å; C97-I100 HydrophobicContact CB-CD1 3.87Å; C97-I100 HydrophobicContact CB-CG1 4.21Å; C97-I100 WeakPolarHBondContact O-CG1 3.46Å
98	A	96.1	Very high	98.3	Very high	111 Å²	111	64.9 Å²	64.9	92%	0.917	31%	0.312	S	S	*	.	S	Bend	trans	-64.5	-33.4	-173.8	0	0	0	0	0	114.4
99	R	95.2	Very high	98.3	Very high	220 Å²	220	64.5 Å²	64.5	83%	0.83	31%	0.313	S	S	*	.	S	Bend	trans	-122.1	100.7	179.8	-64.7	-175.2	-176.3	-157.5	1.1	109.1	C97	C97-R99 VanDerWaalsContact C-N 3.35Å; C97-R99 PolarHBondContact O-N 2.85Å
100	I	97.3	Very high	98.2	Very high	28 Å²	28	61.5 Å²	61.5	14%	0.144	30%	0.302	C	S	.	.			trans	-120.6	122.4	177.3	-65.6	-65	0	0	0	109	G62 C78 C82 C95 C97 W102	G62-I100 WeakPolarHBondContact O-CG2 3.43Å; C78-I100 HydrophobicContact CB-CD1 4.2Å; C82-I100 HydrophobicContact CB-CD1 3.41Å; C82-I100 VanDerWaalsContact CB-CD1 3.41Å; C95-I100 HydrophobicContact CB-CD1 3.95Å; C95-I100 HydrophobicContact CB-CG1 3.87Å; C95-I100 HydrophobicContact CB-CG2 4.13Å; C97-I100 HydrophobicContact CB-CD1 3.87Å; C97-I100 HydrophobicContact CB-CG1 4.21Å; C97-I100 WeakPolarHBondContact O-CG1 3.46Å; I100-W102 WeakPolarHBondContact CG2-O 2.95Å
101	D	97.6	Very high	98.2	Very high	79 Å²	79	58.6 Å²	58.6	42%	0.422	29%	0.288	S	S	.	.	S	Bend	trans	-77.4	-45.4	172.2	50.6	-34.7	0	0	0	111.7	R61 G62 G79 S80	R61-D101 WeakPolarHBondContact CA-O 3.5Å; G62-D101 PolarHBondContact N-O 2.85Å; G79-D101 WeakPolarHBondContact CA-OD1 3.43Å; S80-D101 PolarHBondContact N-OD1 2.03Å; S80-D101 VanDerWaalsContact N-OD1 3.07Å; S80-D101 PolarHBondContact OG-OD1 2.85Å
102	W	98.6	Very high	98	Very high	90 Å²	90	60.1 Å²	60.1	34%	0.341	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.6	178.5	62	-93.1	0	0	0	113	S60 G62 G79 I100 A104	S60-W102 CarbonylContact O-C 3.6Å; S60-W102 VanDerWaalsContact O-CA 3.3Å; S60-W102 WeakPolarHBondContact O-CA 3.39Å; S60-W102 WeakPolarHBondContact O-CB 3.03Å; G62-W102 CarbonylContact O-C 3.55Å; G79-W102 VanDerWaalsContact CA-CE2 3.42Å; G79-W102 PolarHBondContact N-O 2.86Å; I100-W102 WeakPolarHBondContact CG2-O 2.95Å; W102-A104 HydrophobicContact CE3-CB 3.95Å; W102-A104 HydrophobicContact CZ3-CB 3.57Å
103	T	98.9	Very high	97.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143	171.8	-58.3	0	0	0	0	108.3	S59 S60 G62 K63 L64 A65 C93 C95	S59-T103 WeakPolarHBondContact CA-O 3.42Å; S59-T103 PolarHBondContact OG-O 2.9Å; S60-T103 PolarHBondContact N-O 3.23Å; S60-T103 PolarHBondContact O-N 3.4Å; G62-T103 WeakPolarHBondContact O-CB 3.31Å; G62-T103 PolarHBondContact O-N 3.46Å; G62-T103 PolarHBondContact O-OG1 3.15Å; K63-T103 VanDerWaalsContact CA-OG1 3.28Å; K63-T103 WeakPolarHBondContact CA-OG1 3.5Å; K63-T103 PolarHBondContact O-OG1 3.02Å; L64-T103 PolarHBondContact N-OG1 3.24Å; A65-T103 HydrophobicContact CB-CG2 3.79Å; A65-T103 WeakPolarHBondContact CB-O 3.34Å; C93-T103 HydrophobicContact CB-CG2 3.78Å; C95-T103 WeakPolarHBondContact SG-CG2 3.48Å; C95-T103 PolarHBondContact SG-OG1 2.78Å
104	A	98.9	Very high	96.5	Very high	9 Å²	9	68.2 Å²	68.2	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.9	175	0	0	0	0	0	111	T57 V58 C76 S77 W102	T57-A104 HydrophobicContact CG2-CB 3.78Å; V58-A104 CarbonylContact O-C 3.34Å; V58-A104 WeakPolarHBondContact O-CA 3.11Å; C76-A104 CarbonylContact C-O 3.56Å; C76-A104 WeakPolarHBondContact CA-O 3.33Å; S77-A104 PolarHBondContact N-O 2.03Å; S77-A104 PolarHBondContact O-N 3.13Å; W102-A104 HydrophobicContact CE3-CB 3.95Å; W102-A104 HydrophobicContact CZ3-CB 3.57Å
105	A	98.9	Very high	96.4	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.8	174	0	0	0	0	0	109.9	T57 V58 A65 V73 C93	T57-A105 CarbonylContact C-O 3.56Å; T57-A105 WeakPolarHBondContact CA-O 3.39Å; V58-A105 PolarHBondContact N-O 3.39Å; V58-A105 PolarHBondContact O-N 2.93Å; A65-A105 HydrophobicContact CB-CB 4.05Å; V73-A105 HydrophobicContact CG1-CB 4.48Å; V73-A105 HydrophobicContact CG2-CB 4.32Å; C93-A105 HydrophobicContact CB-CB 4.07Å; C93-A105 VanDerWaalsContact SG-CA 3.58Å; C93-A105 VanDerWaalsContact SG-CB 3.51Å
106	R	98.9	Very high	96.3	Very high	98 Å²	98	74.2 Å²	74.2	37%	0.37	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.5	169.9	-169.3	68.6	177.8	169.8	3.4	108.5	C55 T57 V73 L74 S75	C55-R106 PolarHBondContact O-NH2 2.71Å; T57-R106 WeakPolarHBondContact OG1-CD 3.06Å; T57-R106 PolarHBondContact OG1-NH1 2.9Å; V73-R106 WeakPolarHBondContact CA-O 3.02Å; L74-R106 PolarHBondContact N-O 3.37Å; S75-R106 PolarHBondContact O-N 3.38Å; S75-R106 VanDerWaalsContact OG-CB 3.26Å; S75-R106 WeakPolarHBondContact OG-CB 3.23Å
107	C	98.8	Very high	96.1	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.4	-175.6	-48.5	0	0	0	0	109.8	C55 W56 C67 A72	C55-C107 CarbonylContact C-O 3.6Å; C55-C107 VanDerWaalsContact CA-O 3.23Å; C55-C107 WeakPolarHBondContact CA-O 3.33Å; W56-C107 PolarHBondContact N-O 2.84Å; W56-C107 PolarHBondContact O-N 3.48Å; C67-C107 WeakPolarHBondContact CA-SG 3.01Å; C67-C107 HydrophobicContact CB-CB 3.81Å; C67-C107 WeakPolarHBondContact CB-SG 3.42Å; C67-C107 WeakPolarHBondContact SG-CA 3.5Å; C67-C107 WeakPolarHBondContact SG-CB 3.43Å; C67-C107 CovalentContact SG-SG 2.02Å; C67-C107 PolarHBondContact SG-SG 2.91Å; A72-C107 WeakPolarHBondContact O-CA 3.18Å
108	C	98.7	Very high	96	Very high	9 Å²	9	73.9 Å²	73.9	6%	0.061	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.5	175.8	-62.3	0	0	0	0	112.3	L53 N54 C55 T71 A72 L74	L53-C108 HydrophobicContact CD1-CB 4.28Å; N54-C108 CarbonylContact O-C 3.6Å; N54-C108 VanDerWaalsContact O-CA 3.25Å; N54-C108 WeakPolarHBondContact O-CA 3.28Å; C55-C108 HydrophobicContact CB-CB 4.16Å; C55-C108 WeakPolarHBondContact CB-SG 3.3Å; C55-C108 WeakPolarHBondContact SG-CB 3.48Å; C55-C108 CovalentContact SG-SG 2.03Å; C55-C108 PolarHBondContact SG-SG 2.91Å; T71-C108 VanDerWaalsContact CA-O 3.31Å; T71-C108 WeakPolarHBondContact CA-O 3.27Å; T71-C108 WeakPolarHBondContact CB-O 3.45Å; A72-C108 PolarHBondContact N-O 3.36Å; A72-C108 PolarHBondContact O-N 3.19Å; L74-C108 HydrophobicContact CD1-CB 3.82Å; L74-C108 WeakPolarHBondContact CD1-SG 3.45Å; L74-C108 HydrophobicContact CG-CB 3.99Å
109	K	98.4	Very high	96	Very high	96 Å²	96	71.6 Å²	71.6	42%	0.417	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	160	168.7	62.2	179.6	-67.3	175.3	0	111.3	N54 W56 G70 T71	N54-K109 PolarHBondContact N-O 2.9Å; N54-K109 PolarHBondContact O-N 3.07Å; W56-K109 HydrophobicContact CH2-CD 3.87Å; W56-K109 HydrophobicContact CH2-CG 4.07Å; W56-K109 HydrophobicContact CZ3-CD 4.24Å; W56-K109 HydrophobicContact CZ3-CG 4.04Å; G70-K109 WeakPolarHBondContact O-CB 3.48Å; T71-K109 HydrophobicContact CG2-CB 4.01Å; T71-K109 HydrophobicContact CG2-CD 3.98Å; T71-K109 HydrophobicContact CG2-CG 4.13Å
110	L	97.8	Very high	96.1	Very high	117 Å²	117	61.7 Å²	61.7	61%	0.613	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.3	165.4	-59.6	-179.8	0	0	0	110	I51 L53	I51-L110 HydrophobicContact CG2-CB 3.97Å; I51-L110 HydrophobicContact CG2-CD1 4.43Å; I51-L110 HydrophobicContact CG2-CD2 4.01Å; I51-L110 HydrophobicContact CG2-CG 4.35Å; L53-L110 HydrophobicContact CD1-CD2 4.27Å
111	Q	97.1	Very high	96	Very high	83 Å²	83	64.1 Å²	64.1	39%	0.388	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.9	175.7	-176.9	169.8	21.6	0	0	108.9	I51 G52 N54	I51-Q111 CarbonylContact C-O 3.59Å; I51-Q111 WeakPolarHBondContact CA-O 3.47Å; G52-Q111 PolarHBondContact N-O 2.98Å; G52-Q111 PolarHBondContact O-N 2.82Å; N54-Q111 HydrophobicContact CB-CB 4.05Å; N54-Q111 PolarHBondContact ND2-OE1 3.34Å
112	V	94.8	Very high	95.9	Very high	115 Å²	115	63 Å²	63	70%	0.697	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.6	-179.8	-179.1	0	0	0	0	109.6
113	A	89.1	Confident	95.6	Very high	81 Å²	81	60.8 Å²	60.8	67%	0.669	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	53.1	177.5	0	0	0	0	0	113.3	N50	N50-A113 WeakPolarHBondContact O-CA 3.47Å; N50-A113 PolarHBondContact O-N 3.08Å; N50-A113 VanDerWaalsContact O-N 3.08Å
114	S	77.3	Confident	95.3	Very high	121 Å²	121	66.3 Å²	66.3	85%	0.846	38%	0.376	S	S	*	.			trans	-83.2	0	174.5	-173.1	0	0	0	0	113.3	N50	N50-S114 PolarHBondContact O-N 3.16Å; N50-S114 VanDerWaalsContact O-N 3.13Å

Retrieved 114 of 114 residues in 249 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).