Z4YKM2_MOUSE Loading...

CDGSH iron sulfur domain 3

AlphaFold DB , UniProt , Accession Z4YKM2, Species MOUSE (Mus musculus, Mouse), Gene Cisd3, Length 115 aa.

						>Z4YKM2_MOUSE|Z4YKM2|Cisd3
MRGVWPYQRREISSWLARWFPKDPAKPVVAQKTPIRLELVAGKTYRWCVCGRSKNQPFCDGSHFFQRTGLSPLKFKAQETRTVALCTCKATQRPPYCDGTHKSEQVQKAEVGSPL
					

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	38.2	Very low	44.6	Very low	247 Å²	247	188 Å²	188	100%	1.217	86%	0.864	S	S	*	*				0	117.5	0	-64.2	174.8	-173.6	0	0	107.1	G3	M1-G3 PolarHBondContact O-N 2.82Å
2	R	37.1	Very low	45.5	Very low	251 Å²	251	184.2 Å²	184.2	95%	0.947	85%	0.852	S	S	*	*			trans	-75.8	105.4	-170.7	-68.7	178.9	-121.1	-124.6	-0.5	109.3	V4	R2-V4 PolarHBondContact O-N 3.1Å
3	G	37.6	Very low	46.6	Very low	63 Å²	63	176.4 Å²	176.4	65%	0.649	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.8	124.1	173.8	0	0	0	0	0	110.6	M1	M1-G3 PolarHBondContact O-N 2.82Å
4	V	41.2	Very low	48.2	Very low	141 Å²	141	170.1 Å²	170.1	86%	0.855	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.5	117.1	177.7	-167.4	0	0	0	0	107.7	R2 P6	R2-V4 PolarHBondContact O-N 3.1Å; V4-P6 WeakPolarHBondContact O-CD 3.18Å
5	W	34.8	Very low	48.8	Very low	238 Å²	238	171 Å²	171	90%	0.902	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76.7	121.5	173.2	-70.1	77	0	0	0	108.9	Y7	W5-Y7 PolarHBondContact O-N 3.13Å
6	P	45.7	Very low	49.5	Very low	113 Å²	113	168.3 Å²	168.3	73%	0.734	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-68.9	120.9	172	26.8	-29.6	0	0	0	108.5	V4 Q8	V4-P6 WeakPolarHBondContact O-CD 3.18Å; P6-Q8 VanDerWaalsContact C-N 3.28Å; P6-Q8 PolarHBondContact O-N 2.94Å
7	Y	44.7	Very low	49.9	Very low	213 Å²	213	161.1 Å²	161.1	84%	0.835	77%	0.774	S	S	*	*			trans	-61.4	91.2	170.2	-178	-99.9	0	0	0	108.7	W5 R9	W5-Y7 PolarHBondContact O-N 3.13Å; Y7-R9 PolarHBondContact O-N 3.46Å
8	Q	49.8	Very low	50.3	Low	177 Å²	177	163.6 Å²	163.6	83%	0.827	78%	0.775	S	S	*	*			trans	-69.8	96.8	177.5	-161.9	170.4	-6	0	0	107.7	P6 R10	P6-Q8 VanDerWaalsContact C-N 3.28Å; P6-Q8 PolarHBondContact O-N 2.94Å; Q8-R10 PolarHBondContact O-N 2.97Å
9	R	50.4	Low	50.8	Low	209 Å²	209	165.9 Å²	165.9	79%	0.789	78%	0.775	S	S	*	*			trans	-60.3	103.7	174	-168.3	-172	-68.2	-132.8	3.4	107	Y7 E11	Y7-R9 PolarHBondContact O-N 3.46Å; R9-E11 PolarHBondContact O-N 3.41Å
10	R	54.6	Low	51	Low	222 Å²	222	165.2 Å²	165.2	84%	0.838	77%	0.77	S	S	*	*			trans	-58.5	111.5	174	-66.6	-178.3	179.1	-166.6	-1.2	107.7	Q8 I12	Q8-R10 PolarHBondContact O-N 2.97Å; R10-I12 PolarHBondContact O-N 2.99Å
11	E	56.7	Low	51.3	Low	194 Å²	194	163.4 Å²	163.4	91%	0.907	77%	0.773	S	S	*	*			trans	-70.4	95.7	169.5	-70.2	-159.1	152.2	0	0	108.2	R9 S13	R9-E11 PolarHBondContact O-N 3.41Å; E11-S13 PolarHBondContact O-N 2.84Å
12	I	55	Low	52.8	Low	142 Å²	142	159.6 Å²	159.6	73%	0.728	75%	0.749	S	S	*	*			trans	-75.5	122.4	175	-49.8	173.2	0	0	0	106.9	R10	R10-I12 PolarHBondContact O-N 2.99Å
13	S	59.5	Low	55.1	Low	83 Å²	83	154.4 Å²	154.4	58%	0.58	74%	0.74	S	S	*	*			trans	-24.9	125.4	178.3	-179.4	0	0	0	0	115.1	E11 W15	E11-S13 PolarHBondContact O-N 2.84Å; S13-W15 PolarHBondContact O-N 2.99Å
14	S	69.3	Low	57.7	Low	88 Å²	88	155 Å²	155	62%	0.615	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	5	-168	68.8	0	0	0	0	116.5
15	W	58.1	Low	60.2	Low	184 Å²	184	149.9 Å²	149.9	70%	0.697	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-38.9	178.9	-68.5	85.8	0	0	0	113.3	S13	S13-W15 PolarHBondContact O-N 2.99Å
16	L	59	Low	63.2	Low	128 Å²	128	145.4 Å²	145.4	67%	0.67	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-78.4	-28.7	178.4	-71.7	170.7	0	0	0	112.8	R18 W19	L16-R18 PolarHBondContact O-N 3.45Å; L16-W19 PolarHBondContact O-N 2.93Å
17	A	56.3	Low	65.7	Low	45 Å²	45	142.3 Å²	142.3	37%	0.372	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-67.8	-13.9	177.7	0	0	0	0	0	113.6
18	R	57.7	Low	68.3	Low	207 Å²	207	132.6 Å²	132.6	78%	0.781	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-83.6	-13.6	-177.7	-144.2	167.2	-178.5	168.4	-1.1	113.4	L16	L16-R18 PolarHBondContact O-N 3.45Å
19	W	58.7	Low	70.6	Confident	208 Å²	208	124.2 Å²	124.2	79%	0.788	60%	0.595	S	S	*	*	S	Bend	trans	-101.3	-7.5	-174.7	-72.9	87	0	0	0	114.8	L16	L16-W19 PolarHBondContact O-N 2.93Å
20	F	56.5	Low	72.9	Confident	151 Å²	151	115 Å²	115	66%	0.662	56%	0.564	S	S	*	*	S	Bend	trans	-122.6	104.2	177.8	-62.4	-78.8	0	0	0	108.9	K22	F20-K22 PolarHBondContact O-N 3.02Å
21	P	57.5	Low	75	Confident	128 Å²	128	108 Å²	108	83%	0.831	54%	0.541	S	S	*	.			trans	-58.4	116.8	169.4	23.6	-30.6	0	0	0	107.7	D23	P21-D23 VanDerWaalsContact C-N 3.28Å; P21-D23 PolarHBondContact O-N 3.21Å
22	K	68.1	Low	77	Confident	167 Å²	167	101.6 Å²	101.6	73%	0.726	51%	0.51	S	S	*	.			trans	-74.8	-18.3	-168.3	-68.1	-170.2	177.8	178.5	0	113.4	F20	F20-K22 PolarHBondContact O-N 3.02Å
23	D	86.1	Confident	79.1	Confident	142 Å²	142	99.1 Å²	99.1	76%	0.759	50%	0.502	S	S	*	.	S	Bend	trans	-111.1	134	-168.3	-58.3	-42.3	0	0	0	112.1	P21	P21-D23 VanDerWaalsContact C-N 3.28Å; P21-D23 PolarHBondContact O-N 3.21Å
24	P	91.3	Very high	80.9	Confident	75 Å²	75	96.7 Å²	96.7	49%	0.487	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-65	148	173.7	28.5	-33.8	0	0	0	110.6	T68 L70	P24-T68 CarbonylContact C-O 3.48Å; P24-T68 VanDerWaalsContact CA-O 3.3Å; P24-T68 WeakPolarHBondContact CA-O 3.3Å; P24-L70 HydrophobicContact CB-CD2 3.93Å; P24-L70 HydrophobicContact CB-CG 4.39Å
25	A	95.3	Very high	82.3	Confident	33 Å²	33	94.7 Å²	94.7	27%	0.273	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-60.8	150	173.8	0	0	0	0	0	111.1	T68 L70	A25-T68 HydrophobicContact CB-CG2 4.42Å; A25-T68 PolarHBondContact N-O 2.93Å; A25-L70 VanDerWaalsContact O-CD1 3.3Å; A25-L70 WeakPolarHBondContact O-CD1 3.44Å; A25-L70 WeakPolarHBondContact O-CG 3.36Å
26	K	97.4	Very high	84.3	Confident	145 Å²	145	95.3 Å²	95.3	63%	0.63	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-67.1	141.9	171.1	-66.1	-178.3	178.7	-175.9	0	110.8	P114	K26-P114 HydrophobicContact CB-CB 3.83Å; K26-P114 HydrophobicContact CB-CG 4.03Å; K26-P114 HydrophobicContact CD-CB 4.13Å
27	P	98.3	Very high	86.2	Confident	47 Å²	47	90.8 Å²	90.8	31%	0.305	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-57	148.3	166.7	-24.2	34.9	0	0	0	111.5	V49 L70 K89 P114	P27-V49 WeakPolarHBondContact CB-O 3.38Å; P27-L70 HydrophobicContact CG-CD1 4.12Å; P27-K89 HydrophobicContact CB-CB 3.91Å; P27-P114 WeakPolarHBondContact O-CA 3.32Å
28	V	98.8	Very high	88.2	Confident	9 Å²	9	94.4 Å²	94.4	6%	0.055	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-107.5	151.8	174.8	-54.1	0	0	0	0	111.4	A30 C50 G51 R52 K89 G112 S113 P114	V28-A30 PolarHBondContact O-N 3.29Å; V28-C50 PolarHBondContact N-O 3.44Å; V28-G51 WeakPolarHBondContact O-CA 3.48Å; V28-R52 HydrophobicContact CG2-CG 3.83Å; V28-K89 WeakPolarHBondContact O-CG 3.37Å; V28-G112 WeakPolarHBondContact CB-O 3.37Å; V28-G112 VanDerWaalsContact CG1-O 3.31Å; V28-G112 WeakPolarHBondContact CG1-O 3.39Å; V28-S113 WeakPolarHBondContact CA-O 3.1Å; V28-P114 HydrophobicContact CG1-CG 4.19Å
29	V	98.8	Very high	90.1	Very high	1 Å²	1	84.7 Å²	84.7	1%	0.006	42%	0.417	C	S	.	.			trans	-70.3	100.4	173.4	-179.1	0	0	0	0	108.6	K32 C88 V106 A109 G112 S113 L115	V29-K32 HydrophobicContact CG1-CG 4.28Å; V29-C88 HydrophobicContact CG1-CB 4.18Å; V29-V106 HydrophobicContact CG1-CG1 4.32Å; V29-A109 HydrophobicContact CG2-CB 4.06Å; V29-G112 PolarHBondContact O-N 2.77Å; V29-S113 PolarHBondContact N-O 3.17Å; V29-L115 HydrophobicContact CG2-CD1 4.46Å; V29-L115 HydrophobicContact CG2-CD2 3.33Å; V29-L115 HydrophobicContact CG2-CG 3.67Å
30	A	98.7	Very high	92	Very high	16 Å²	16	77.8 Å²	77.8	13%	0.132	40%	0.398	C	S	.	.			trans	-70.4	-43.7	-179.2	0	0	0	0	0	111.6	V28 G51 Q56 T87 V111	V28-A30 PolarHBondContact O-N 3.29Å; A30-G51 WeakPolarHBondContact CB-O 3.4Å; A30-Q56 HydrophobicContact CB-CG 3.95Å; A30-Q56 VanDerWaalsContact CB-NE2 3.33Å; A30-T87 WeakPolarHBondContact CB-O 3.37Å; A30-T87 PolarHBondContact N-O 3.33Å; A30-T87 VanDerWaalsContact N-O 3.16Å; A30-V111 VanDerWaalsContact O-CG1 3.27Å; A30-V111 WeakPolarHBondContact O-CG1 3Å
31	Q	98.4	Very high	94	Very high	76 Å²	76	72.8 Å²	72.8	36%	0.355	38%	0.384	S	S	.	.			trans	-151	157.8	176.2	-59.1	175.5	-51.4	0	0	109.3	T87 C88	Q31-T87 PolarHBondContact N-O 2.94Å; Q31-T87 CarbonylContact O-C 3.51Å; Q31-T87 PolarHBondContact O-OG1 3.4Å; Q31-C88 VanDerWaalsContact O-CA 3.3Å; Q31-C88 WeakPolarHBondContact O-CA 3.4Å; Q31-C88 WeakPolarHBondContact O-CB 3.27Å; Q31-C88 PolarHBondContact O-N 2.96Å
32	K	98.4	Very high	96	Very high	59 Å²	59	68.7 Å²	68.7	26%	0.257	37%	0.365	S	S	.	.	S	Bend	trans	-91.7	-0.5	177.2	-64.6	-179.4	179.5	178.9	0	113.5	V29 H101 V106 Q107 A109 V111	V29-K32 HydrophobicContact CG1-CG 4.28Å; K32-H101 PolarHBondContact O-CD2 2.85Å; K32-V106 WeakPolarHBondContact CE-O 3.27Å; K32-Q107 PolarHBondContact NZ-O 3.05Å; K32-A109 WeakPolarHBondContact CE-O 3.39Å; K32-A109 PolarHBondContact NZ-O 3.09Å; K32-V111 HydrophobicContact CG-CG2 4.32Å
33	T	98.4	Very high	97.4	Very high	90 Å²	90	66.3 Å²	66.3	55%	0.552	36%	0.355	S	S	*	.	S	Bend	trans	-128.2	136.3	179.8	50.7	0	0	0	0	110.4	T87	T33-T87 PolarHBondContact O-OG1 3.02Å
34	P	98.8	Very high	98	Very high	31 Å²	31	62.9 Å²	62.9	20%	0.201	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-72.1	154.7	178.7	32.9	-36.6	0	0	0	111.2	A84 L85 C97	P34-A84 HydrophobicContact CB-CB 4.17Å; P34-A84 HydrophobicContact CG-CB 4.41Å; P34-L85 WeakPolarHBondContact CA-O 3.47Å; P34-L85 WeakPolarHBondContact CB-O 3.47Å; P34-C97 HydrophobicContact CB-CB 3.7Å; P34-C97 HydrophobicContact CG-CB 4.24Å
35	I	98.8	Very high	98.4	Very high	47 Å²	47	60.2 Å²	60.2	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.5	174.6	-66.9	167.9	0	0	0	108.8	L37 Q56 P57 A84 L85 T87	I35-L37 HydrophobicContact CG2-CD2 4.26Å; I35-Q56 HydrophobicContact CD1-CB 3.83Å; I35-Q56 WeakPolarHBondContact CD1-O 3.38Å; I35-P57 HydrophobicContact CB-CG 4.47Å; I35-A84 WeakPolarHBondContact O-CA 3.48Å; I35-L85 PolarHBondContact N-O 3.03Å; I35-L85 PolarHBondContact O-N 3.21Å; I35-T87 HydrophobicContact CB-CG2 4.44Å; I35-T87 HydrophobicContact CD1-CG2 3.83Å; I35-T87 HydrophobicContact CG1-CG2 3.87Å
36	R	98.7	Very high	98.6	Very high	196 Å²	196	65.5 Å²	65.5	74%	0.74	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.9	171.8	-66.6	-179.7	-176.2	-89.3	2.7	109.3	V83 A84	R36-V83 VanDerWaalsContact CA-O 3.29Å; R36-V83 WeakPolarHBondContact CA-O 3.49Å; R36-A84 HydrophobicContact CG-CB 4.24Å
37	L	98.5	Very high	98.6	Very high	34 Å²	34	59 Å²	59	18%	0.178	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.2	177.9	62.2	84	0	0	0	110.9	I35 L39 P57 F58 T82 V83 L85	I35-L37 HydrophobicContact CG2-CD2 4.26Å; L37-L39 HydrophobicContact CD1-CD2 3.55Å; L37-L39 HydrophobicContact CD1-CG 4Å; L37-P57 HydrophobicContact CD2-CG 3.57Å; L37-F58 HydrophobicContact CD1-CZ 4.04Å; L37-F58 HydrophobicContact CD2-CE2 3.69Å; L37-F58 HydrophobicContact CD2-CZ 3.65Å; L37-T82 WeakPolarHBondContact O-CA 3.48Å; L37-V83 PolarHBondContact N-O 2.71Å; L37-V83 PolarHBondContact O-N 3.37Å; L37-L85 HydrophobicContact CD1-CD1 4.35Å; L37-L85 HydrophobicContact CD2-CD1 4.17Å
38	E	98.7	Very high	98.7	Very high	120 Å²	120	56.9 Å²	56.9	56%	0.561	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.2	172.1	-172.3	175	-131.8	0	0	110.7	T80	E38-T80 HydrophobicContact CG-CG2 4.17Å
39	L	98.6	Very high	98.7	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	144.1	163.9	-64.7	178.4	0	0	0	108.7	L37 Y45 F75 A77 T80 R81 V83 Y96	L37-L39 HydrophobicContact CD1-CD2 3.55Å; L37-L39 HydrophobicContact CD1-CG 4Å; L39-Y45 WeakPolarHBondContact CA-OH 3.37Å; L39-Y45 HydrophobicContact CB-CE2 4.35Å; L39-Y45 HydrophobicContact CD2-CD1 4.16Å; L39-Y45 HydrophobicContact CD2-CD2 3.88Å; L39-Y45 HydrophobicContact CD2-CE1 3.91Å; L39-Y45 HydrophobicContact CD2-CE2 3.64Å; L39-Y45 HydrophobicContact CD2-CG 4.13Å; L39-F75 HydrophobicContact CD1-CE2 3.84Å; L39-F75 HydrophobicContact CD1-CZ 4.23Å; L39-F75 HydrophobicContact CD2-CE2 4.35Å; L39-F75 HydrophobicContact CD2-CZ 4.13Å; L39-A77 HydrophobicContact CB-CB 3.91Å; L39-A77 HydrophobicContact CD1-CB 4.38Å; L39-T80 CarbonylContact O-C 3.54Å; L39-T80 WeakPolarHBondContact O-CA 3.3Å; L39-R81 PolarHBondContact N-O 2.91Å; L39-R81 PolarHBondContact O-N 2.75Å; L39-V83 HydrophobicContact CD1-CG1 4.11Å; L39-V83 HydrophobicContact CD1-CG2 3.57Å; L39-V83 HydrophobicContact CG-CG2 3.72Å; L39-Y96 HydrophobicContact CD1-CE1 4.27Å
40	V	98.7	Very high	98.7	Very high	64 Å²	64	58.3 Å²	58.3	39%	0.388	30%	0.299	S	S	.	.			trans	-106.5	128	177.5	-179.8	0	0	0	0	109.1	G42 K43 Y45 A77	V40-G42 PolarHBondContact O-N 3.02Å; V40-K43 HydrophobicContact CB-CB 4.23Å; V40-K43 HydrophobicContact CB-CD 4.47Å; V40-K43 VanDerWaalsContact O-CB 3.3Å; V40-K43 WeakPolarHBondContact O-CB 3.15Å; V40-K43 PolarHBondContact O-N 3.42Å; V40-K43 VanDerWaalsContact O-N 3.1Å; V40-Y45 PolarHBondContact N-OH 3.43Å; V40-A77 WeakPolarHBondContact O-CB 3.37Å
41	A	98.6	Very high	98.6	Very high	45 Å²	45	57.8 Å²	57.8	37%	0.372	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	137.9	177.7	0	0	0	0	0	111.6	K43 T80	A41-K43 PolarHBondContact O-N 3.28Å; A41-K43 VanDerWaalsContact O-N 3.13Å; A41-T80 PolarHBondContact N-OG1 3.4Å
42	G	98.4	Very high	98.7	Very high	42 Å²	42	57.4 Å²	57.4	43%	0.433	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-19.5	-179.9	0	0	0	0	0	115.2	V40 K76 A77	V40-G42 PolarHBondContact O-N 3.02Å; G42-K76 WeakPolarHBondContact O-CE 3.29Å; G42-A77 PolarHBondContact N-O 3.03Å
43	K	98.7	Very high	98.7	Very high	118 Å²	118	55 Å²	55	51%	0.513	28%	0.281	S	S	.	.			trans	-73.8	137.6	179.5	-172.8	166.2	173.1	179.5	0	111.1	V40 A41 Y45 A77	V40-K43 HydrophobicContact CB-CB 4.23Å; V40-K43 HydrophobicContact CB-CD 4.47Å; V40-K43 VanDerWaalsContact O-CB 3.3Å; V40-K43 WeakPolarHBondContact O-CB 3.15Å; V40-K43 PolarHBondContact O-N 3.42Å; V40-K43 VanDerWaalsContact O-N 3.1Å; A41-K43 PolarHBondContact O-N 3.28Å; A41-K43 VanDerWaalsContact O-N 3.13Å; K43-Y45 HydrophobicContact CB-CD2 4.47Å; K43-Y45 HydrophobicContact CB-CE2 3.68Å; K43-Y45 HydrophobicContact CD-CE1 4.16Å; K43-Y45 HydrophobicContact CD-CE2 4.22Å; K43-Y45 HydrophobicContact CG-CD2 4.38Å; K43-Y45 HydrophobicContact CG-CE1 4.37Å; K43-Y45 HydrophobicContact CG-CE2 3.78Å; K43-Y45 WeakPolarHBondContact O-CD2 3.35Å; K43-A77 PolarHBondContact O-N 3.45Å
44	T	98.8	Very high	98.7	Very high	70 Å²	70	60.2 Å²	60.2	43%	0.429	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.6	174.4	-62.9	0	0	0	0	110	K74 F75	T44-K74 HydrophobicContact CG2-CD 3.99Å; T44-K74 HydrophobicContact CG2-CG 3.57Å; T44-F75 WeakPolarHBondContact CA-O 3.45Å
45	Y	98.8	Very high	98.6	Very high	19 Å²	19	63.5 Å²	63.5	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.5	177.8	-62.7	-92.5	0	0	0	110	L39 V40 K43 F58 K74 F75 A77	L39-Y45 WeakPolarHBondContact CA-OH 3.37Å; L39-Y45 HydrophobicContact CB-CE2 4.35Å; L39-Y45 HydrophobicContact CD2-CD1 4.16Å; L39-Y45 HydrophobicContact CD2-CD2 3.88Å; L39-Y45 HydrophobicContact CD2-CE1 3.91Å; L39-Y45 HydrophobicContact CD2-CE2 3.64Å; L39-Y45 HydrophobicContact CD2-CG 4.13Å; V40-Y45 PolarHBondContact N-OH 3.43Å; K43-Y45 HydrophobicContact CB-CD2 4.47Å; K43-Y45 HydrophobicContact CB-CE2 3.68Å; K43-Y45 HydrophobicContact CD-CE1 4.16Å; K43-Y45 HydrophobicContact CD-CE2 4.22Å; K43-Y45 HydrophobicContact CG-CD2 4.38Å; K43-Y45 HydrophobicContact CG-CE1 4.37Å; K43-Y45 HydrophobicContact CG-CE2 3.78Å; K43-Y45 WeakPolarHBondContact O-CD2 3.35Å; Y45-F58 HydrophobicContact CD1-CD1 4.27Å; Y45-F58 AromaticContact CD1-CE1 3.47Å; Y45-F58 HydrophobicContact CD1-CE1 3.47Å; Y45-F58 VanDerWaalsContact CD1-CE1 3.47Å; Y45-F58 HydrophobicContact CD1-CE2 4.23Å; Y45-F58 AromaticContact CD1-CZ 3.44Å; Y45-F58 HydrophobicContact CD1-CZ 3.44Å; Y45-F58 VanDerWaalsContact CD1-CZ 3.44Å; Y45-F58 HydrophobicContact CE1-CE1 4.34Å; Y45-F58 AromaticContact CE1-CZ 3.87Å; Y45-F58 HydrophobicContact CE1-CZ 3.87Å; Y45-F58 HydrophobicContact CG-CE1 4Å; Y45-F58 HydrophobicContact CG-CZ 4.34Å; Y45-K74 WeakPolarHBondContact O-CA 3.16Å; Y45-F75 HydrophobicContact CD2-CE2 4.3Å; Y45-F75 HydrophobicContact CD2-CZ 4.24Å; Y45-F75 HydrophobicContact CG-CE1 4.46Å; Y45-F75 HydrophobicContact CG-CZ 4.15Å; Y45-F75 PolarHBondContact N-O 2.89Å; Y45-F75 PolarHBondContact O-N 2.91Å; Y45-A77 HydrophobicContact CD2-CB 4.29Å; Y45-A77 HydrophobicContact CE2-CB 3.9Å
46	R	98.9	Very high	98.6	Very high	144 Å²	144	62.6 Å²	62.6	54%	0.543	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	101.4	174.1	-69.4	-176.2	-178.5	85.2	-3.9	108.4	F58 C59 P72 L73	R46-F58 CarbonylContact O-C 3.6Å; R46-F58 VanDerWaalsContact O-CA 3.29Å; R46-F58 WeakPolarHBondContact O-CA 3.47Å; R46-C59 HydrophobicContact CB-CB 4.14Å; R46-C59 PolarHBondContact O-N 3.22Å; R46-P72 HydrophobicContact CB-CB 4.18Å; R46-P72 HydrophobicContact CB-CG 4.49Å; R46-L73 CarbonylContact C-O 3.53Å; R46-L73 WeakPolarHBondContact CA-O 3.45Å
47	W	98.9	Very high	98.6	Very high	9 Å²	9	53.5 Å²	53.5	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.4	178.6	178.8	71.2	0	0	0	110.7	V49 P72 L73 F75 C86 K89 T91 P94 P95	W47-V49 HydrophobicContact CE3-CG2 3.76Å; W47-V49 HydrophobicContact CZ3-CB 4.41Å; W47-V49 HydrophobicContact CZ3-CG2 3.83Å; W47-V49 PolarHBondContact O-N 2.84Å; W47-P72 WeakPolarHBondContact O-CA 3.45Å; W47-P72 WeakPolarHBondContact O-CB 3.35Å; W47-L73 HydrophobicContact CB-CB 4.37Å; W47-L73 HydrophobicContact CE3-CB 4.02Å; W47-L73 HydrophobicContact CE3-CD2 4.25Å; W47-L73 PolarHBondContact N-O 2.61Å; W47-L73 PolarHBondContact O-N 3.02Å; W47-F75 HydrophobicContact CB-CE1 4.19Å; W47-C86 HydrophobicContact CZ2-CB 3.73Å; W47-C86 WeakPolarHBondContact CZ2-O 3.41Å; W47-C86 PolarHBondContact NE1-O 3.04Å; W47-K89 HydrophobicContact CH2-CD 3.98Å; W47-K89 HydrophobicContact CZ2-CD 3.59Å; W47-T91 HydrophobicContact CH2-CG2 4.25Å; W47-T91 HydrophobicContact CZ2-CG2 4.45Å; W47-P94 HydrophobicContact CE3-CB 4.29Å; W47-P94 HydrophobicContact CH2-CB 4.21Å; W47-P94 HydrophobicContact CZ3-CB 3.79Å; W47-P95 HydrophobicContact CB-CB 3.65Å; W47-P95 HydrophobicContact CD2-CB 3.76Å; W47-P95 HydrophobicContact CE3-CB 4.29Å; W47-P95 HydrophobicContact CG-CB 3.45Å; W47-P95 VanDerWaalsContact CG-CB 3.45Å
48	C	98.8	Very high	98.7	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	27%	0.273	C	S	.	.			trans	-71.4	111.6	178	176.3	0	0	0	0	109.8	G51 S53 P57 K89	C48-G51 PolarHBondContact SG-N 2.89Å; C48-G51 VanDerWaalsContact SG-N 3.38Å; C48-S53 VanDerWaalsContact SG-CB 3.5Å; C48-P57 WeakPolarHBondContact CB-O 3.28Å; C48-P57 PolarHBondContact N-O 2.7Å; C48-K89 VanDerWaalsContact O-CD 3.26Å; C48-K89 WeakPolarHBondContact O-CD 3.29Å; C48-K89 WeakPolarHBondContact O-CE 3.07Å; C48-K89 PolarHBondContact O-NZ 3.46Å
49	V	98.8	Very high	98.7	Very high	36 Å²	36	49.6 Å²	49.6	22%	0.218	26%	0.256	C	S	.	.	S	Bend	trans	-82.4	-39.9	175.5	176.7	0	0	0	0	111.1	P27 W47 G51 S71 L73	P27-V49 WeakPolarHBondContact CB-O 3.38Å; W47-V49 HydrophobicContact CE3-CG2 3.76Å; W47-V49 HydrophobicContact CZ3-CB 4.41Å; W47-V49 HydrophobicContact CZ3-CG2 3.83Å; W47-V49 PolarHBondContact O-N 2.84Å; V49-G51 VanDerWaalsContact C-N 3.33Å; V49-G51 PolarHBondContact O-N 2.9Å; V49-S71 WeakPolarHBondContact CG2-O 3.37Å; V49-L73 HydrophobicContact CG2-CB 3.98Å
50	C	98.5	Very high	98.7	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.02	27%	0.27	C	S	.	.	S	Bend	trans	-73.8	-16.3	-171	71.6	0	0	0	0	115.7	V28 R52 H63 T68 L70	V28-C50 PolarHBondContact N-O 3.44Å; C50-R52 VanDerWaalsContact C-N 3.28Å; C50-R52 PolarHBondContact O-N 2.82Å; C50-R52 PolarHBondContact SG-N 3.24Å; C50-R52 VanDerWaalsContact SG-N 3.36Å; C50-H63 HydrophobicContact CB-CB 4.15Å; C50-T68 HydrophobicContact CB-CG2 4.42Å; C50-L70 HydrophobicContact CB-CB 4.19Å; C50-L70 HydrophobicContact CB-CD1 3.61Å
51	G	98.6	Very high	98.6	Very high	5 Å²	5	50 Å²	50	5%	0.052	26%	0.26	C	S	.	.	S	Bend	trans	82.9	-8.6	-176.4	0	0	0	0	0	115.8	V28 A30 C48 V49 Q56	V28-G51 WeakPolarHBondContact O-CA 3.48Å; A30-G51 WeakPolarHBondContact CB-O 3.4Å; C48-G51 PolarHBondContact SG-N 2.89Å; C48-G51 VanDerWaalsContact SG-N 3.38Å; V49-G51 VanDerWaalsContact C-N 3.33Å; V49-G51 PolarHBondContact O-N 2.9Å; G51-Q56 PolarHBondContact O-NE2 2.96Å; G51-Q56 VanDerWaalsContact O-NE2 3.15Å
52	R	98.6	Very high	98.6	Very high	68 Å²	68	48.6 Å²	48.6	26%	0.257	25%	0.247	S	C	.	.			trans	-96.1	-0.6	-169.2	-56.5	171.1	177.7	-165.1	10.5	115.4	V28 C50 S62 Q66 T68	V28-R52 HydrophobicContact CG2-CG 3.83Å; C50-R52 VanDerWaalsContact C-N 3.28Å; C50-R52 PolarHBondContact O-N 2.82Å; C50-R52 PolarHBondContact SG-N 3.24Å; C50-R52 VanDerWaalsContact SG-N 3.36Å; R52-S62 WeakPolarHBondContact O-CB 3.33Å; R52-S62 PolarHBondContact O-OG 3.26Å; R52-Q66 VanDerWaalsContact CD-OE1 3.26Å; R52-T68 VanDerWaalsContact CZ-CG2 3.44Å
53	S	98.7	Very high	98.6	Very high	8 Å²	8	48.3 Å²	48.3	6%	0.056	24%	0.235	C	C	.	.			trans	-66.5	137	177.1	177.2	0	0	0	0	110.9	C48 N55 Q56 F58 D60	C48-S53 VanDerWaalsContact SG-CB 3.5Å; S53-N55 VanDerWaalsContact C-N 3.29Å; S53-N55 PolarHBondContact OG-N 3.03Å; S53-Q56 WeakPolarHBondContact O-CG 3.46Å; S53-Q56 PolarHBondContact O-NE2 2.97Å; S53-F58 WeakPolarHBondContact CB-O 3.47Å; S53-F58 PolarHBondContact OG-O 3.41Å; S53-D60 WeakPolarHBondContact CA-OD1 3.34Å; S53-D60 WeakPolarHBondContact CA-OD2 3.49Å; S53-D60 WeakPolarHBondContact CB-OD1 3.49Å; S53-D60 PolarHBondContact OG-N 2.99Å; S53-D60 PolarHBondContact OG-OD1 3.23Å; S53-D60 PolarHBondContact OG-OD2 3.09Å
54	K	98.3	Very high	98.5	Very high	201 Å²	201	49.8 Å²	49.8	87%	0.874	24%	0.241	S	C	*	.	S	Bend	trans	-79.6	-14.3	169.5	-61.1	-178.2	-178	-179.1	0	112.2	D60	K54-D60 PolarHBondContact N-OD2 3.13Å
55	N	98.2	Very high	98.4	Very high	100 Å²	100	53.9 Å²	53.9	54%	0.535	25%	0.254	S	S	.	.	S	Bend	trans	-106.7	49.3	177.7	-169.5	24	0	0	0	111.5	S53 F58 D60	S53-N55 VanDerWaalsContact C-N 3.29Å; S53-N55 PolarHBondContact OG-N 3.03Å; N55-F58 CarbonylContact O-C 3.5Å; N55-F58 WeakPolarHBondContact O-CA 3.49Å; N55-F58 PolarHBondContact O-N 3.19Å; N55-D60 HydrophobicContact CB-CB 4.25Å
56	Q	98.7	Very high	98.3	Very high	28 Å²	28	57.9 Å²	57.9	13%	0.131	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	142.6	177.5	-69.7	-66.4	-25.7	0	0	110.7	A30 I35 G51 S53 T87 K89	A30-Q56 HydrophobicContact CB-CG 3.95Å; A30-Q56 VanDerWaalsContact CB-NE2 3.33Å; I35-Q56 HydrophobicContact CD1-CB 3.83Å; I35-Q56 WeakPolarHBondContact CD1-O 3.38Å; G51-Q56 PolarHBondContact O-NE2 2.96Å; G51-Q56 VanDerWaalsContact O-NE2 3.15Å; S53-Q56 WeakPolarHBondContact O-CG 3.46Å; S53-Q56 PolarHBondContact O-NE2 2.97Å; Q56-T87 HydrophobicContact CB-CG2 4.47Å; Q56-K89 VanDerWaalsContact OE1-CE 3.3Å
57	P	98.7	Very high	98.1	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.026	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.3	4	6.2	36.1	-36.2	0	0	0	113.9	I35 L37 C48 L85 T87	I35-P57 HydrophobicContact CB-CG 4.47Å; L37-P57 HydrophobicContact CD2-CG 3.57Å; C48-P57 WeakPolarHBondContact CB-O 3.28Å; C48-P57 PolarHBondContact N-O 2.7Å; P57-L85 HydrophobicContact CB-CB 3.81Å; P57-L85 HydrophobicContact CB-CD1 4.3Å; P57-L85 HydrophobicContact CG-CB 3.84Å; P57-L85 HydrophobicContact CG-CD1 3.74Å; P57-L85 HydrophobicContact CG-CG 4.33Å; P57-T87 HydrophobicContact CB-CG2 4.4Å
58	F	98.9	Very high	97.9	Very high	42 Å²	42	61.5 Å²	61.5	18%	0.184	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-93.9	160.9	-172.9	-58.8	-56.6	0	0	0	112.8	L37 Y45 R46 S53 N55 L85	L37-F58 HydrophobicContact CD1-CZ 4.04Å; L37-F58 HydrophobicContact CD2-CE2 3.69Å; L37-F58 HydrophobicContact CD2-CZ 3.65Å; Y45-F58 HydrophobicContact CD1-CD1 4.27Å; Y45-F58 AromaticContact CD1-CE1 3.47Å; Y45-F58 HydrophobicContact CD1-CE1 3.47Å; Y45-F58 VanDerWaalsContact CD1-CE1 3.47Å; Y45-F58 HydrophobicContact CD1-CE2 4.23Å; Y45-F58 AromaticContact CD1-CZ 3.44Å; Y45-F58 HydrophobicContact CD1-CZ 3.44Å; Y45-F58 VanDerWaalsContact CD1-CZ 3.44Å; Y45-F58 HydrophobicContact CE1-CE1 4.34Å; Y45-F58 AromaticContact CE1-CZ 3.87Å; Y45-F58 HydrophobicContact CE1-CZ 3.87Å; Y45-F58 HydrophobicContact CG-CE1 4Å; Y45-F58 HydrophobicContact CG-CZ 4.34Å; R46-F58 CarbonylContact O-C 3.6Å; R46-F58 VanDerWaalsContact O-CA 3.29Å; R46-F58 WeakPolarHBondContact O-CA 3.47Å; S53-F58 WeakPolarHBondContact CB-O 3.47Å; S53-F58 PolarHBondContact OG-O 3.41Å; N55-F58 CarbonylContact O-C 3.5Å; N55-F58 WeakPolarHBondContact O-CA 3.49Å; N55-F58 PolarHBondContact O-N 3.19Å; F58-L85 HydrophobicContact CE1-CD1 3.72Å; F58-L85 HydrophobicContact CZ-CD1 4Å
59	C	98.8	Very high	97.8	Very high	30 Å²	30	64.5 Å²	64.5	20%	0.203	32%	0.318	C	S	.	.			trans	-79.2	133.3	178.6	179.3	0	0	0	0	111.5	R46 G61 H63 P72	R46-C59 HydrophobicContact CB-CB 4.14Å; R46-C59 PolarHBondContact O-N 3.22Å; C59-G61 PolarHBondContact SG-N 3.32Å; C59-G61 VanDerWaalsContact SG-N 3.43Å; C59-H63 PolarHBondContact SG-CE1 3.38Å; C59-H63 PolarHBondContact SG-ND1 3.36Å; C59-P72 HydrophobicContact CB-CB 3.53Å; C59-P72 HydrophobicContact CB-CG 4.13Å
60	D	98.7	Very high	97.7	Very high	60 Å²	60	64.1 Å²	64.1	32%	0.321	32%	0.315	S	S	.	.			trans	-111.9	2	175.7	65.6	-6.6	0	0	0	113.5	S53 K54 N55 S62	S53-D60 WeakPolarHBondContact CA-OD1 3.34Å; S53-D60 WeakPolarHBondContact CA-OD2 3.49Å; S53-D60 WeakPolarHBondContact CB-OD1 3.49Å; S53-D60 PolarHBondContact OG-N 2.99Å; S53-D60 PolarHBondContact OG-OD1 3.23Å; S53-D60 PolarHBondContact OG-OD2 3.09Å; K54-D60 PolarHBondContact N-OD2 3.13Å; N55-D60 HydrophobicContact CB-CB 4.25Å; D60-S62 VanDerWaalsContact CG-OG 3.26Å; D60-S62 WeakPolarHBondContact OD1-CB 3.11Å; D60-S62 PolarHBondContact OD1-N 2.92Å; D60-S62 PolarHBondContact OD1-OG 3.02Å; D60-S62 PolarHBondContact OD2-OG 3.38Å; D60-S62 VanDerWaalsContact OD2-OG 3.06Å
61	G	98.2	Very high	97.7	Very high	17 Å²	17	68.4 Å²	68.4	18%	0.175	35%	0.345	C	S	.	.	S	Bend	trans	94.8	-4.8	-176.8	0	0	0	0	0	115	C59 H63 F64 F65	C59-G61 PolarHBondContact SG-N 3.32Å; C59-G61 VanDerWaalsContact SG-N 3.43Å; G61-H63 PolarHBondContact O-N 3.12Å; G61-F64 WeakPolarHBondContact O-CB 3.46Å; G61-F64 PolarHBondContact O-N 2.96Å; G61-F65 VanDerWaalsContact O-CD2 3.28Å; G61-F65 WeakPolarHBondContact O-CD2 3.32Å; G61-F65 PolarHBondContact O-N 3.16Å
62	S	98.5	Very high	97.7	Very high	15 Å²	15	69.8 Å²	69.8	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-53.7	-30.6	-179.7	-68.2	0	0	0	0	114.3	R52 D60 F64 Q66	R52-S62 WeakPolarHBondContact O-CB 3.33Å; R52-S62 PolarHBondContact O-OG 3.26Å; D60-S62 VanDerWaalsContact CG-OG 3.26Å; D60-S62 WeakPolarHBondContact OD1-CB 3.11Å; D60-S62 PolarHBondContact OD1-N 2.92Å; D60-S62 PolarHBondContact OD1-OG 3.02Å; D60-S62 PolarHBondContact OD2-OG 3.38Å; D60-S62 VanDerWaalsContact OD2-OG 3.06Å; S62-F64 VanDerWaalsContact C-N 3.29Å; S62-F64 PolarHBondContact O-N 2.8Å; S62-Q66 WeakPolarHBondContact O-CB 3.26Å; S62-Q66 WeakPolarHBondContact O-CG 3.45Å; S62-Q66 PolarHBondContact O-N 2.93Å
63	H	97.7	Very high	97.7	Very high	35 Å²	35	69.7 Å²	69.7	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-37.5	175.5	67.7	-87.5	0	0	0	112.9	C50 C59 G61 R67 T68 L70	C50-H63 HydrophobicContact CB-CB 4.15Å; C59-H63 PolarHBondContact SG-CE1 3.38Å; C59-H63 PolarHBondContact SG-ND1 3.36Å; G61-H63 PolarHBondContact O-N 3.12Å; H63-R67 PolarHBondContact O-N 2.79Å; H63-T68 WeakPolarHBondContact CB-OG1 3.41Å; H63-T68 PolarHBondContact O-N 3.06Å; H63-T68 PolarHBondContact O-OG1 2.78Å; H63-T68 VanDerWaalsContact O-OG1 3.12Å; H63-L70 PolarHBondContact CD2-O 2.88Å
64	F	96.9	Very high	97.7	Very high	149 Å²	149	76.1 Å²	76.1	65%	0.654	38%	0.384	S	S	*	.	H	α-helix	trans	-73.9	-50.6	179.6	177.4	-97.9	0	0	0	110.9	G61 S62 Q66 R67	G61-F64 WeakPolarHBondContact O-CB 3.46Å; G61-F64 PolarHBondContact O-N 2.96Å; S62-F64 VanDerWaalsContact C-N 3.29Å; S62-F64 PolarHBondContact O-N 2.8Å; F64-Q66 PolarHBondContact O-N 2.94Å; F64-R67 PolarHBondContact O-N 2.86Å
65	F	96.6	Very high	97.7	Very high	157 Å²	157	67.9 Å²	67.9	69%	0.689	35%	0.348	S	S	*	.	H	α-helix	trans	-62.4	-31.9	-179.3	-61.5	-64.8	0	0	0	113	G61	G61-F65 VanDerWaalsContact O-CD2 3.28Å; G61-F65 WeakPolarHBondContact O-CD2 3.32Å; G61-F65 PolarHBondContact O-N 3.16Å
66	Q	95.8	Very high	97.7	Very high	102 Å²	102	69.1 Å²	69.1	48%	0.477	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.6	177	-57.6	-175.4	37.8	0	0	113.5	R52 S62 F64 T68	R52-Q66 VanDerWaalsContact CD-OE1 3.26Å; S62-Q66 WeakPolarHBondContact O-CB 3.26Å; S62-Q66 WeakPolarHBondContact O-CG 3.45Å; S62-Q66 PolarHBondContact O-N 2.93Å; F64-Q66 PolarHBondContact O-N 2.94Å; Q66-T68 VanDerWaalsContact C-N 3.27Å; Q66-T68 HydrophobicContact CB-CG2 4.33Å; Q66-T68 PolarHBondContact O-N 2.82Å; Q66-T68 VanDerWaalsContact O-N 3.16Å
67	R	95.1	Very high	97.7	Very high	227 Å²	227	67.9 Å²	67.9	86%	0.857	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	44.7	174.6	-56.1	-177.7	-178.1	-174.8	0.2	113.2	H63 F64 G69	H63-R67 PolarHBondContact O-N 2.79Å; F64-R67 PolarHBondContact O-N 2.86Å; R67-G69 PolarHBondContact O-N 3.38Å
68	T	95.8	Very high	97.7	Very high	3 Å²	3	75.3 Å²	75.3	2%	0.018	38%	0.378	C	S	.	.			trans	-71.9	-17.3	-176.2	60.9	0	0	0	0	113.7	P24 A25 C50 R52 H63 Q66 L70	P24-T68 CarbonylContact C-O 3.48Å; P24-T68 VanDerWaalsContact CA-O 3.3Å; P24-T68 WeakPolarHBondContact CA-O 3.3Å; A25-T68 HydrophobicContact CB-CG2 4.42Å; A25-T68 PolarHBondContact N-O 2.93Å; C50-T68 HydrophobicContact CB-CG2 4.42Å; R52-T68 VanDerWaalsContact CZ-CG2 3.44Å; H63-T68 WeakPolarHBondContact CB-OG1 3.41Å; H63-T68 PolarHBondContact O-N 3.06Å; H63-T68 PolarHBondContact O-OG1 2.78Å; H63-T68 VanDerWaalsContact O-OG1 3.12Å; Q66-T68 VanDerWaalsContact C-N 3.27Å; Q66-T68 HydrophobicContact CB-CG2 4.33Å; Q66-T68 PolarHBondContact O-N 2.82Å; Q66-T68 VanDerWaalsContact O-N 3.16Å; T68-L70 PolarHBondContact O-N 3.38Å; T68-L70 VanDerWaalsContact O-N 3.13Å; T68-L70 WeakPolarHBondContact OG1-CB 3.18Å; T68-L70 PolarHBondContact OG1-N 3.37Å; T68-L70 VanDerWaalsContact OG1-N 3.09Å
69	G	95.9	Very high	97.6	Very high	65 Å²	65	78.1 Å²	78.1	67%	0.67	39%	0.391	S	S	*	.			trans	66.7	4.1	-168.1	0	0	0	0	0	114.2	R67	R67-G69 PolarHBondContact O-N 3.38Å
70	L	96.9	Very high	97.6	Very high	28 Å²	28	80.4 Å²	80.4	15%	0.147	40%	0.404	C	S	.	.			trans	-96.3	143.7	176.9	-62.4	176.3	0	0	0	110.6	P24 A25 P27 C50 H63 T68	P24-L70 HydrophobicContact CB-CD2 3.93Å; P24-L70 HydrophobicContact CB-CG 4.39Å; A25-L70 VanDerWaalsContact O-CD1 3.3Å; A25-L70 WeakPolarHBondContact O-CD1 3.44Å; A25-L70 WeakPolarHBondContact O-CG 3.36Å; P27-L70 HydrophobicContact CG-CD1 4.12Å; C50-L70 HydrophobicContact CB-CB 4.19Å; C50-L70 HydrophobicContact CB-CD1 3.61Å; H63-L70 PolarHBondContact CD2-O 2.88Å; T68-L70 PolarHBondContact O-N 3.38Å; T68-L70 VanDerWaalsContact O-N 3.13Å; T68-L70 WeakPolarHBondContact OG1-CB 3.18Å; T68-L70 PolarHBondContact OG1-N 3.37Å; T68-L70 VanDerWaalsContact OG1-N 3.09Å
71	S	97.9	Very high	97.6	Very high	93 Å²	93	82.7 Å²	82.7	65%	0.65	41%	0.408	S	S	*	.			trans	-113.2	149.2	174.8	-69.5	0	0	0	0	111.6	V49	V49-S71 WeakPolarHBondContact CG2-O 3.37Å
72	P	98.6	Very high	97.6	Very high	34 Å²	34	86.4 Å²	86.4	22%	0.221	43%	0.428	C	S	.	.			trans	-70.7	148.9	177.5	31	-36.2	0	0	0	111.9	R46 W47 C59 K74	R46-P72 HydrophobicContact CB-CB 4.18Å; R46-P72 HydrophobicContact CB-CG 4.49Å; W47-P72 WeakPolarHBondContact O-CA 3.45Å; W47-P72 WeakPolarHBondContact O-CB 3.35Å; C59-P72 HydrophobicContact CB-CB 3.53Å; C59-P72 HydrophobicContact CB-CG 4.13Å; P72-K74 PolarHBondContact O-N 3.24Å
73	L	98.7	Very high	97.6	Very high	65 Å²	65	86.3 Å²	86.3	34%	0.34	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.3	175.4	179.6	63.9	0	0	0	109.4	R46 W47 V49 P94 P95	R46-L73 CarbonylContact C-O 3.53Å; R46-L73 WeakPolarHBondContact CA-O 3.45Å; W47-L73 HydrophobicContact CB-CB 4.37Å; W47-L73 HydrophobicContact CE3-CB 4.02Å; W47-L73 HydrophobicContact CE3-CD2 4.25Å; W47-L73 PolarHBondContact N-O 2.61Å; W47-L73 PolarHBondContact O-N 3.02Å; V49-L73 HydrophobicContact CG2-CB 3.98Å; L73-P94 HydrophobicContact CD2-CB 3.92Å; L73-P94 HydrophobicContact CD2-CG 4.47Å; L73-P95 HydrophobicContact CD2-CB 4.41Å
74	K	98.8	Very high	97.7	Very high	144 Å²	144	85.7 Å²	85.7	63%	0.626	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.1	173.3	-172.4	-178.6	69.6	177.6	0	109.5	T44 Y45 P72	T44-K74 HydrophobicContact CG2-CD 3.99Å; T44-K74 HydrophobicContact CG2-CG 3.57Å; Y45-K74 WeakPolarHBondContact O-CA 3.16Å; P72-K74 PolarHBondContact O-N 3.24Å
75	F	98.6	Very high	97.8	Very high	28 Å²	28	78.6 Å²	78.6	12%	0.123	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.6	173.8	74.2	-79	0	0	0	111.2	L39 T44 Y45 W47 L85 P95	L39-F75 HydrophobicContact CD1-CE2 3.84Å; L39-F75 HydrophobicContact CD1-CZ 4.23Å; L39-F75 HydrophobicContact CD2-CE2 4.35Å; L39-F75 HydrophobicContact CD2-CZ 4.13Å; T44-F75 WeakPolarHBondContact CA-O 3.45Å; Y45-F75 HydrophobicContact CD2-CE2 4.3Å; Y45-F75 HydrophobicContact CD2-CZ 4.24Å; Y45-F75 HydrophobicContact CG-CE1 4.46Å; Y45-F75 HydrophobicContact CG-CZ 4.15Å; Y45-F75 PolarHBondContact N-O 2.89Å; Y45-F75 PolarHBondContact O-N 2.91Å; W47-F75 HydrophobicContact CB-CE1 4.19Å; F75-L85 HydrophobicContact CZ-CD1 4.44Å; F75-P95 HydrophobicContact CD1-CB 4.38Å; F75-P95 HydrophobicContact CD1-CG 3.88Å; F75-P95 HydrophobicContact CD2-CG 4.32Å; F75-P95 HydrophobicContact CE1-CB 4.06Å; F75-P95 HydrophobicContact CE1-CG 3.69Å; F75-P95 HydrophobicContact CE2-CG 4.15Å; F75-P95 HydrophobicContact CG-CG 4.2Å; F75-P95 HydrophobicContact CZ-CG 3.83Å
76	K	98.6	Very high	97.9	Very high	125 Å²	125	71.2 Å²	71.2	54%	0.543	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.4	175	-173.2	176.2	178.4	-178.6	0	108.5	G42 Q78	G42-K76 WeakPolarHBondContact O-CE 3.29Å; K76-Q78 PolarHBondContact O-N 2.98Å; K76-Q78 PolarHBondContact O-NE2 2.92Å
77	A	98.4	Very high	98	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	34%	0.342	C	S	.	.			trans	-67.6	128.3	175.7	0	0	0	0	0	109.6	L39 V40 G42 K43 Y45	L39-A77 HydrophobicContact CB-CB 3.91Å; L39-A77 HydrophobicContact CD1-CB 4.38Å; V40-A77 WeakPolarHBondContact O-CB 3.37Å; G42-A77 PolarHBondContact N-O 3.03Å; K43-A77 PolarHBondContact O-N 3.45Å; Y45-A77 HydrophobicContact CD2-CB 4.29Å; Y45-A77 HydrophobicContact CE2-CB 3.9Å
78	Q	97.9	Very high	98.2	Very high	161 Å²	161	55.9 Å²	55.9	75%	0.752	30%	0.303	S	S	*	.	S	Bend	trans	-83.2	-32.1	-178.7	-59.8	-54.2	-57.2	0	0	111.9	K76	K76-Q78 PolarHBondContact O-N 2.98Å; K76-Q78 PolarHBondContact O-NE2 2.92Å
79	E	97.8	Very high	98.3	Very high	101 Å²	101	56.9 Å²	56.9	47%	0.472	31%	0.307	S	S	.	.	S	Bend	trans	-136.7	153.1	-177.5	61.2	-172.9	174.9	0	0	110.4	R81	E79-R81 HydrophobicContact CG-CG 3.92Å; E79-R81 PolarHBondContact O-N 3.04Å; E79-R81 WeakPolarHBondContact OE1-CD 3.3Å; E79-R81 IonicContact OE1-CZ 2.95Å; E79-R81 IonicContact OE1-NE 3.04Å; E79-R81 PolarHBondContact OE1-NE 3.31Å; E79-R81 IonicContact OE1-NH1 2.7Å; E79-R81 PolarHBondContact OE1-NH1 3.49Å; E79-R81 IonicContact OE1-NH2 3.83Å
80	T	98.7	Very high	98.5	Very high	77 Å²	77	55 Å²	55	47%	0.472	29%	0.285	S	S	.	.			trans	-81	112.6	172.6	-61.7	0	0	0	0	108.3	E38 L39 A41	E38-T80 HydrophobicContact CG-CG2 4.17Å; L39-T80 CarbonylContact O-C 3.54Å; L39-T80 WeakPolarHBondContact O-CA 3.3Å; A41-T80 PolarHBondContact N-OG1 3.4Å
81	R	98.5	Very high	98.5	Very high	108 Å²	108	54.4 Å²	54.4	41%	0.408	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	156.4	179.4	65.4	171.3	179.3	-178.6	6.5	112.4	L39 E79 V83	L39-R81 PolarHBondContact N-O 2.91Å; L39-R81 PolarHBondContact O-N 2.75Å; E79-R81 HydrophobicContact CG-CG 3.92Å; E79-R81 PolarHBondContact O-N 3.04Å; E79-R81 WeakPolarHBondContact OE1-CD 3.3Å; E79-R81 IonicContact OE1-CZ 2.95Å; E79-R81 IonicContact OE1-NE 3.04Å; E79-R81 PolarHBondContact OE1-NE 3.31Å; E79-R81 IonicContact OE1-NH1 2.7Å; E79-R81 PolarHBondContact OE1-NH1 3.49Å; E79-R81 IonicContact OE1-NH2 3.83Å; R81-V83 HydrophobicContact CG-CG1 3.73Å
82	T	98.7	Very high	98.6	Very high	96 Å²	96	58.3 Å²	58.3	59%	0.589	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	125	167.6	-61.1	0	0	0	0	110.5	L37	L37-T82 WeakPolarHBondContact O-CA 3.48Å
83	V	98.6	Very high	98.6	Very high	12 Å²	12	63.8 Å²	63.8	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.2	175	-55.6	0	0	0	0	110.5	R36 L37 L39 R81 L85 Y96	R36-V83 VanDerWaalsContact CA-O 3.29Å; R36-V83 WeakPolarHBondContact CA-O 3.49Å; L37-V83 PolarHBondContact N-O 2.71Å; L37-V83 PolarHBondContact O-N 3.37Å; L39-V83 HydrophobicContact CD1-CG1 4.11Å; L39-V83 HydrophobicContact CD1-CG2 3.57Å; L39-V83 HydrophobicContact CG-CG2 3.72Å; R81-V83 HydrophobicContact CG-CG1 3.73Å; V83-L85 HydrophobicContact CG2-CD2 3.72Å; V83-L85 HydrophobicContact CG2-CG 3.99Å; V83-Y96 HydrophobicContact CB-CD1 4.29Å; V83-Y96 HydrophobicContact CB-CE1 4.31Å; V83-Y96 HydrophobicContact CG1-CE1 4.18Å; V83-Y96 HydrophobicContact CG2-CD1 4.4Å; V83-Y96 HydrophobicContact CG2-CE1 4.28Å
84	A	98.8	Very high	98.5	Very high	22 Å²	22	63.7 Å²	63.7	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119	165.9	0	0	0	0	0	109.3	P34 I35 R36 C97	P34-A84 HydrophobicContact CB-CB 4.17Å; P34-A84 HydrophobicContact CG-CB 4.41Å; I35-A84 WeakPolarHBondContact O-CA 3.48Å; R36-A84 HydrophobicContact CG-CB 4.24Å; A84-C97 HydrophobicContact CB-CB 3.98Å; A84-C97 PolarHBondContact O-N 2.69Å
85	L	98.9	Very high	98.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144.8	175	-63.4	-170.5	0	0	0	111.4	P34 I35 L37 P57 F58 F75 V83 P95 Y96	P34-L85 WeakPolarHBondContact CA-O 3.47Å; P34-L85 WeakPolarHBondContact CB-O 3.47Å; I35-L85 PolarHBondContact N-O 3.03Å; I35-L85 PolarHBondContact O-N 3.21Å; L37-L85 HydrophobicContact CD1-CD1 4.35Å; L37-L85 HydrophobicContact CD2-CD1 4.17Å; P57-L85 HydrophobicContact CB-CB 3.81Å; P57-L85 HydrophobicContact CB-CD1 4.3Å; P57-L85 HydrophobicContact CG-CB 3.84Å; P57-L85 HydrophobicContact CG-CD1 3.74Å; P57-L85 HydrophobicContact CG-CG 4.33Å; F58-L85 HydrophobicContact CE1-CD1 3.72Å; F58-L85 HydrophobicContact CZ-CD1 4Å; F75-L85 HydrophobicContact CZ-CD1 4.44Å; V83-L85 HydrophobicContact CG2-CD2 3.72Å; V83-L85 HydrophobicContact CG2-CG 3.99Å; L85-P95 HydrophobicContact CD2-CB 4.22Å; L85-P95 HydrophobicContact CD2-CG 4.13Å; L85-Y96 HydrophobicContact CD2-CD1 3.75Å; L85-Y96 HydrophobicContact CD2-CE1 4.05Å
86	C	98.9	Very high	98.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.02	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72.7	135.9	-176.1	176.2	0	0	0	0	112.1	W47 C88 K89 T91 P95	W47-C86 HydrophobicContact CZ2-CB 3.73Å; W47-C86 WeakPolarHBondContact CZ2-O 3.41Å; W47-C86 PolarHBondContact NE1-O 3.04Å; C86-C88 VanDerWaalsContact SG-SG 3.63Å; C86-K89 PolarHBondContact O-NZ 3.49Å; C86-K89 PolarHBondContact SG-N 3.44Å; C86-T91 HydrophobicContact CB-CG2 3.56Å; C86-T91 VanDerWaalsContact SG-CG2 3.59Å; C86-P95 PolarHBondContact N-O 3.15Å
87	T	98.8	Very high	98.5	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.012	27%	0.268	C	S	.	.	S	Bend	trans	-119.6	-21.6	177.1	51.3	0	0	0	0	112.6	A30 Q31 T33 I35 Q56 P57 K89	A30-T87 WeakPolarHBondContact CB-O 3.37Å; A30-T87 PolarHBondContact N-O 3.33Å; A30-T87 VanDerWaalsContact N-O 3.16Å; Q31-T87 PolarHBondContact N-O 2.94Å; Q31-T87 CarbonylContact O-C 3.51Å; Q31-T87 PolarHBondContact O-OG1 3.4Å; T33-T87 PolarHBondContact O-OG1 3.02Å; I35-T87 HydrophobicContact CB-CG2 4.44Å; I35-T87 HydrophobicContact CD1-CG2 3.83Å; I35-T87 HydrophobicContact CG1-CG2 3.87Å; Q56-T87 HydrophobicContact CB-CG2 4.47Å; P57-T87 HydrophobicContact CB-CG2 4.4Å; T87-K89 VanDerWaalsContact C-N 3.28Å; T87-K89 VanDerWaalsContact O-CE 3.27Å; T87-K89 WeakPolarHBondContact O-CE 3.18Å; T87-K89 PolarHBondContact O-N 3.3Å
88	C	98.7	Very high	98.6	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.027	28%	0.283	C	S	.	.	S	Bend	trans	-76	-14.9	175.2	70.2	0	0	0	0	114.2	V29 Q31 C86 A90 H101 V106	V29-C88 HydrophobicContact CG1-CB 4.18Å; Q31-C88 VanDerWaalsContact O-CA 3.3Å; Q31-C88 WeakPolarHBondContact O-CA 3.4Å; Q31-C88 WeakPolarHBondContact O-CB 3.27Å; Q31-C88 PolarHBondContact O-N 2.96Å; C86-C88 VanDerWaalsContact SG-SG 3.63Å; C88-A90 PolarHBondContact O-N 3.16Å; C88-A90 VanDerWaalsContact O-N 3.17Å; C88-H101 HydrophobicContact CB-CB 4.19Å; C88-V106 HydrophobicContact CB-CG1 3.68Å
89	K	98.8	Very high	98.6	Very high	24 Å²	24	49.8 Å²	49.8	10%	0.104	26%	0.26	C	S	.	.	S	Bend	trans	65.6	10	178.4	-44	-50.3	173.8	-175.3	0	115.7	P27 V28 W47 C48 Q56 C86 T87	P27-K89 HydrophobicContact CB-CB 3.91Å; V28-K89 WeakPolarHBondContact O-CG 3.37Å; W47-K89 HydrophobicContact CH2-CD 3.98Å; W47-K89 HydrophobicContact CZ2-CD 3.59Å; C48-K89 VanDerWaalsContact O-CD 3.26Å; C48-K89 WeakPolarHBondContact O-CD 3.29Å; C48-K89 WeakPolarHBondContact O-CE 3.07Å; C48-K89 PolarHBondContact O-NZ 3.46Å; Q56-K89 VanDerWaalsContact OE1-CE 3.3Å; C86-K89 PolarHBondContact O-NZ 3.49Å; C86-K89 PolarHBondContact SG-N 3.44Å; T87-K89 VanDerWaalsContact C-N 3.28Å; T87-K89 VanDerWaalsContact O-CE 3.27Å; T87-K89 WeakPolarHBondContact O-CE 3.18Å; T87-K89 PolarHBondContact O-N 3.3Å
90	A	98.5	Very high	98.6	Very high	26 Å²	26	46.5 Å²	46.5	22%	0.215	25%	0.247	C	C	.	.			trans	-98.9	5	176.6	0	0	0	0	0	114.2	C88 T100 V106 L115	C88-A90 PolarHBondContact O-N 3.16Å; C88-A90 VanDerWaalsContact O-N 3.17Å; A90-T100 HydrophobicContact CB-CG2 3.94Å; A90-T100 WeakPolarHBondContact O-CG2 3.15Å; A90-V106 HydrophobicContact CB-CG2 4Å; A90-L115 HydrophobicContact CB-CD1 3.3Å
91	T	98.6	Very high	98.6	Very high	16 Å²	16	44 Å²	44	10%	0.098	23%	0.23	C	C	.	.			trans	-64.7	141.3	-178.1	-176	0	0	0	0	111.7	W47 C86 R93 P94 Y96 D98	W47-T91 HydrophobicContact CH2-CG2 4.25Å; W47-T91 HydrophobicContact CZ2-CG2 4.45Å; C86-T91 HydrophobicContact CB-CG2 3.56Å; C86-T91 VanDerWaalsContact SG-CG2 3.59Å; T91-R93 VanDerWaalsContact C-N 3.32Å; T91-R93 PolarHBondContact OG1-N 3.45Å; T91-P94 HydrophobicContact CG2-CB 4.06Å; T91-Y96 WeakPolarHBondContact CB-O 3.44Å; T91-Y96 WeakPolarHBondContact CG2-O 3.4Å; T91-Y96 PolarHBondContact OG1-O 3.24Å; T91-D98 WeakPolarHBondContact CA-OD2 3.35Å; T91-D98 PolarHBondContact OG1-OD1 3.23Å; T91-D98 PolarHBondContact OG1-OD2 2.65Å
92	Q	98.4	Very high	98.6	Very high	174 Å²	174	46.4 Å²	46.4	81%	0.813	24%	0.243	S	C	*	.	S	Bend	trans	-83.4	-9.4	169.9	-58.6	-176.9	83.7	0	0	112.3	P94 D98	Q92-P94 VanDerWaalsContact C-CD 3.4Å; Q92-P94 WeakPolarHBondContact O-CD 3.36Å; Q92-D98 PolarHBondContact N-OD2 2.88Å
93	R	98.3	Very high	98.6	Very high	149 Å²	149	43.9 Å²	43.9	56%	0.562	23%	0.23	S	C	*	.	S	Bend	trans	-124.6	60	178.5	-162.8	178.5	66.5	147.8	-2.9	112.2	T91 Y96 D98	T91-R93 VanDerWaalsContact C-N 3.32Å; T91-R93 PolarHBondContact OG1-N 3.45Å; R93-Y96 WeakPolarHBondContact O-CA 3.44Å; R93-Y96 WeakPolarHBondContact O-CB 3.21Å; R93-Y96 PolarHBondContact O-N 3.44Å; R93-D98 HydrophobicContact CB-CB 4.42Å; R93-D98 PolarHBondContact N-OD2 2.93Å
94	P	98.3	Very high	98.6	Very high	64 Å²	64	49.5 Å²	49.5	42%	0.416	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	144.6	-179.9	28.8	-35.9	0	0	0	111.1	W47 L73 T91 Q92	W47-P94 HydrophobicContact CE3-CB 4.29Å; W47-P94 HydrophobicContact CH2-CB 4.21Å; W47-P94 HydrophobicContact CZ3-CB 3.79Å; L73-P94 HydrophobicContact CD2-CB 3.92Å; L73-P94 HydrophobicContact CD2-CG 4.47Å; T91-P94 HydrophobicContact CG2-CB 4.06Å; Q92-P94 VanDerWaalsContact C-CD 3.4Å; Q92-P94 WeakPolarHBondContact O-CD 3.36Å
95	P	98.6	Very high	98.6	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.039	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86.2	2.4	1.6	36.9	-38.6	0	0	0	114.3	W47 L73 F75 L85 C86	W47-P95 HydrophobicContact CB-CB 3.65Å; W47-P95 HydrophobicContact CD2-CB 3.76Å; W47-P95 HydrophobicContact CE3-CB 4.29Å; W47-P95 HydrophobicContact CG-CB 3.45Å; W47-P95 VanDerWaalsContact CG-CB 3.45Å; L73-P95 HydrophobicContact CD2-CB 4.41Å; F75-P95 HydrophobicContact CD1-CB 4.38Å; F75-P95 HydrophobicContact CD1-CG 3.88Å; F75-P95 HydrophobicContact CD2-CG 4.32Å; F75-P95 HydrophobicContact CE1-CB 4.06Å; F75-P95 HydrophobicContact CE1-CG 3.69Å; F75-P95 HydrophobicContact CE2-CG 4.15Å; F75-P95 HydrophobicContact CG-CG 4.2Å; F75-P95 HydrophobicContact CZ-CG 3.83Å; L85-P95 HydrophobicContact CD2-CB 4.22Å; L85-P95 HydrophobicContact CD2-CG 4.13Å; C86-P95 PolarHBondContact N-O 3.15Å
96	Y	98.8	Very high	98.5	Very high	50 Å²	50	54.3 Å²	54.3	20%	0.196	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-80.7	154.4	-169.1	-56	-69.2	0	0	0	112.3	L39 V83 L85 T91 R93	L39-Y96 HydrophobicContact CD1-CE1 4.27Å; V83-Y96 HydrophobicContact CB-CD1 4.29Å; V83-Y96 HydrophobicContact CB-CE1 4.31Å; V83-Y96 HydrophobicContact CG1-CE1 4.18Å; V83-Y96 HydrophobicContact CG2-CD1 4.4Å; V83-Y96 HydrophobicContact CG2-CE1 4.28Å; L85-Y96 HydrophobicContact CD2-CD1 3.75Å; L85-Y96 HydrophobicContact CD2-CE1 4.05Å; T91-Y96 WeakPolarHBondContact CB-O 3.44Å; T91-Y96 WeakPolarHBondContact CG2-O 3.4Å; T91-Y96 PolarHBondContact OG1-O 3.24Å; R93-Y96 WeakPolarHBondContact O-CA 3.44Å; R93-Y96 WeakPolarHBondContact O-CB 3.21Å; R93-Y96 PolarHBondContact O-N 3.44Å
97	C	98.8	Very high	98.5	Very high	24 Å²	24	58.3 Å²	58.3	16%	0.162	29%	0.292	C	S	.	.			trans	-73.8	133.5	166.3	-178.6	0	0	0	0	110.1	P34 A84 G99 H101	P34-C97 HydrophobicContact CB-CB 3.7Å; P34-C97 HydrophobicContact CG-CB 4.24Å; A84-C97 HydrophobicContact CB-CB 3.98Å; A84-C97 PolarHBondContact O-N 2.69Å; C97-G99 PolarHBondContact SG-N 2.59Å; C97-H101 PolarHBondContact SG-CE1 3.2Å; C97-H101 PolarHBondContact SG-ND1 3.46Å
98	D	98.8	Very high	98.5	Very high	60 Å²	60	65.6 Å²	65.6	32%	0.321	32%	0.324	S	S	.	.			trans	-114.7	1.3	174.1	59	6.7	0	0	0	113	T91 Q92 R93 T100	T91-D98 WeakPolarHBondContact CA-OD2 3.35Å; T91-D98 PolarHBondContact OG1-OD1 3.23Å; T91-D98 PolarHBondContact OG1-OD2 2.65Å; Q92-D98 PolarHBondContact N-OD2 2.88Å; R93-D98 HydrophobicContact CB-CB 4.42Å; R93-D98 PolarHBondContact N-OD2 2.93Å; D98-T100 WeakPolarHBondContact OD1-CB 3.36Å; D98-T100 PolarHBondContact OD1-N 3.17Å; D98-T100 PolarHBondContact OD1-OG1 3Å; D98-T100 PolarHBondContact OD2-OG1 3.19Å
99	G	98.4	Very high	98.4	Very high	28 Å²	28	66 Å²	66	29%	0.289	33%	0.328	S	S	.	.	S	Bend	trans	95.8	-6.2	-177.2	0	0	0	0	0	114.7	C97 H101 K102	C97-G99 PolarHBondContact SG-N 2.59Å; G99-H101 PolarHBondContact O-N 2.88Å; G99-K102 WeakPolarHBondContact O-CB 3.31Å; G99-K102 PolarHBondContact O-N 3.03Å
100	T	98.7	Very high	98.4	Very high	32 Å²	32	71.5 Å²	71.5	20%	0.196	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-56.1	-26.5	180	-54.8	0	0	0	0	113	A90 D98 K102 S103	A90-T100 HydrophobicContact CB-CG2 3.94Å; A90-T100 WeakPolarHBondContact O-CG2 3.15Å; D98-T100 WeakPolarHBondContact OD1-CB 3.36Å; D98-T100 PolarHBondContact OD1-N 3.17Å; D98-T100 PolarHBondContact OD1-OG1 3Å; D98-T100 PolarHBondContact OD2-OG1 3.19Å; T100-K102 PolarHBondContact O-N 2.84Å; T100-K102 VanDerWaalsContact O-N 3.09Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 3.47Å; T100-S103 PolarHBondContact O-N 3.17Å; T100-S103 PolarHBondContact O-OG 3.32Å
101	H	98.5	Very high	98.4	Very high	23 Å²	23	74.2 Å²	74.2	11%	0.106	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.4	-24	174.2	69.5	-90.3	0	0	0	113.6	K32 C88 C97 G99 S103 V106 Q107	K32-H101 PolarHBondContact O-CD2 2.85Å; C88-H101 HydrophobicContact CB-CB 4.19Å; C97-H101 PolarHBondContact SG-CE1 3.2Å; C97-H101 PolarHBondContact SG-ND1 3.46Å; G99-H101 PolarHBondContact O-N 2.88Å; H101-S103 VanDerWaalsContact C-N 3.34Å; H101-V106 HydrophobicContact CB-CG1 4.46Å; H101-Q107 PolarHBondContact O-NE2 3.46Å
102	K	98.6	Very high	98.4	Very high	159 Å²	159	75.7 Å²	75.7	69%	0.691	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-82.1	-10.3	177.4	-58.8	-176.3	178.1	-178.7	0	113.7	G99 T100	G99-K102 WeakPolarHBondContact O-CB 3.31Å; G99-K102 PolarHBondContact O-N 3.03Å; T100-K102 PolarHBondContact O-N 2.84Å; T100-K102 VanDerWaalsContact O-N 3.09Å
103	S	98.6	Very high	98.4	Very high	43 Å²	43	69 Å²	69	30%	0.301	36%	0.359	S	S	.	.	S	Bend	trans	-61.4	149	177.3	65.9	0	0	0	0	110.9	T100 H101 Q105 V106 Q107	T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 3.47Å; T100-S103 PolarHBondContact O-N 3.17Å; T100-S103 PolarHBondContact O-OG 3.32Å; H101-S103 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 2.72Å; S103-V106 PolarHBondContact O-N 2.93Å; S103-V106 VanDerWaalsContact O-N 3.16Å; S103-V106 WeakPolarHBondContact OG-CG2 3.41Å; S103-Q107 WeakPolarHBondContact O-CG 3.3Å; S103-Q107 PolarHBondContact O-N 3.38Å
104	E	98.3	Very high	98.3	Very high	130 Å²	130	65 Å²	65	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-57.2	-39.7	179.8	-171.1	-178.4	171.5	0	0	112.1	V106 Q107 K108	E104-V106 PolarHBondContact O-N 2.97Å; E104-Q107 PolarHBondContact O-N 3.16Å; E104-K108 HydrophobicContact CG-CD 3.86Å; E104-K108 HydrophobicContact CG-CG 4.27Å; E104-K108 WeakPolarHBondContact O-CB 3.42Å; E104-K108 WeakPolarHBondContact O-CG 3.28Å; E104-K108 PolarHBondContact O-N 3.4Å; E104-K108 WeakPolarHBondContact OE1-CE 3.49Å; E104-K108 IonicContact OE1-NZ 2.57Å; E104-K108 PolarHBondContact OE1-NZ 2.71Å
105	Q	98	Very high	98.1	Very high	122 Å²	122	66 Å²	66	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-56.9	-47.1	177.3	-172.5	-179.1	-0	0	0	111.9	S103 A109 L115	S103-Q105 PolarHBondContact O-N 2.72Å; Q105-A109 WeakPolarHBondContact O-CB 3.44Å; Q105-A109 PolarHBondContact O-N 2.97Å; Q105-A109 VanDerWaalsContact O-N 3.17Å; Q105-L115 PolarHBondContact NE2-OXT 2.57Å
106	V	98.3	Very high	98	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-72.5	-36.7	179	179.3	0	0	0	0	111.7	V29 K32 C88 A90 H101 S103 E104 K108 A109 L115	V29-V106 HydrophobicContact CG1-CG1 4.32Å; K32-V106 WeakPolarHBondContact CE-O 3.27Å; C88-V106 HydrophobicContact CB-CG1 3.68Å; A90-V106 HydrophobicContact CB-CG2 4Å; H101-V106 HydrophobicContact CB-CG1 4.46Å; S103-V106 PolarHBondContact O-N 2.93Å; S103-V106 VanDerWaalsContact O-N 3.16Å; S103-V106 WeakPolarHBondContact OG-CG2 3.41Å; E104-V106 PolarHBondContact O-N 2.97Å; V106-K108 VanDerWaalsContact C-N 3.34Å; V106-A109 PolarHBondContact O-N 3.24Å; V106-L115 HydrophobicContact CB-CD2 4.39Å; V106-L115 HydrophobicContact CG2-CD1 3.91Å; V106-L115 HydrophobicContact CG2-CD2 4Å
107	Q	98.4	Very high	98	Very high	87 Å²	87	70.1 Å²	70.1	41%	0.407	38%	0.378	S	S	.	.	H	α-helix	trans	-68.5	-33.5	180	-70.7	-59.7	-50	0	0	112.5	K32 H101 S103 E104	K32-Q107 PolarHBondContact NZ-O 3.05Å; H101-Q107 PolarHBondContact O-NE2 3.46Å; S103-Q107 WeakPolarHBondContact O-CG 3.3Å; S103-Q107 PolarHBondContact O-N 3.38Å; E104-Q107 PolarHBondContact O-N 3.16Å
108	K	98.1	Very high	97.9	Very high	155 Å²	155	72.6 Å²	72.6	67%	0.674	39%	0.39	S	S	*	.	H	α-helix	trans	-81.9	-19.9	175.8	-70.9	-176.1	172.6	-179.6	0	114	E104 V106	E104-K108 HydrophobicContact CG-CD 3.86Å; E104-K108 HydrophobicContact CG-CG 4.27Å; E104-K108 WeakPolarHBondContact O-CB 3.42Å; E104-K108 WeakPolarHBondContact O-CG 3.28Å; E104-K108 PolarHBondContact O-N 3.4Å; E104-K108 WeakPolarHBondContact OE1-CE 3.49Å; E104-K108 IonicContact OE1-NZ 2.57Å; E104-K108 PolarHBondContact OE1-NZ 2.71Å; V106-K108 VanDerWaalsContact C-N 3.34Å
109	A	97.8	Very high	97.9	Very high	14 Å²	14	73.4 Å²	73.4	12%	0.116	39%	0.394	C	S	.	.	S	Bend	trans	-65.4	148.5	178.8	0	0	0	0	0	112.9	V29 K32 Q105 V106 L115	V29-A109 HydrophobicContact CG2-CB 4.06Å; K32-A109 WeakPolarHBondContact CE-O 3.39Å; K32-A109 PolarHBondContact NZ-O 3.09Å; Q105-A109 WeakPolarHBondContact O-CB 3.44Å; Q105-A109 PolarHBondContact O-N 2.97Å; Q105-A109 VanDerWaalsContact O-N 3.17Å; V106-A109 PolarHBondContact O-N 3.24Å; A109-L115 HydrophobicContact CB-CD2 3.48Å; A109-L115 VanDerWaalsContact CB-CD2 3.48Å
110	E	98.4	Very high	97.9	Very high	138 Å²	138	76.2 Å²	76.2	65%	0.645	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-76.8	135.8	171.4	-175.2	-173.4	-162.4	0	0	110.3	G112 S113	E110-G112 PolarHBondContact O-N 2.75Å; E110-S113 PolarHBondContact O-N 3.29Å; E110-S113 PolarHBondContact OE2-OG 2.87Å
111	V	98.3	Very high	97.8	Very high	83 Å²	83	79.1 Å²	79.1	50%	0.503	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	132.2	176.4	174.4	0	0	0	0	109.3	A30 K32 S113	A30-V111 VanDerWaalsContact O-CG1 3.27Å; A30-V111 WeakPolarHBondContact O-CG1 3Å; K32-V111 HydrophobicContact CG-CG2 4.32Å; V111-S113 VanDerWaalsContact C-N 3.33Å
112	G	97.7	Very high	97.8	Very high	47 Å²	47	83.1 Å²	83.1	49%	0.485	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-5.3	-174.5	0	0	0	0	0	114.2	V28 V29 E110	V28-G112 WeakPolarHBondContact CB-O 3.37Å; V28-G112 VanDerWaalsContact CG1-O 3.31Å; V28-G112 WeakPolarHBondContact CG1-O 3.39Å; V29-G112 PolarHBondContact O-N 2.77Å; E110-G112 PolarHBondContact O-N 2.75Å
113	S	97.9	Very high	97.7	Very high	35 Å²	35	77.3 Å²	77.3	25%	0.245	42%	0.417	C	S	.	.	S	Bend	trans	-107.3	154.6	177.4	-63.2	0	0	0	0	111.6	V28 V29 E110 V111	V28-S113 WeakPolarHBondContact CA-O 3.1Å; V29-S113 PolarHBondContact N-O 3.17Å; E110-S113 PolarHBondContact O-N 3.29Å; E110-S113 PolarHBondContact OE2-OG 2.87Å; V111-S113 VanDerWaalsContact C-N 3.33Å
114	P	97.6	Very high	97.6	Very high	64 Å²	64	80.2 Å²	80.2	42%	0.416	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-61.2	157.9	169.3	-21.8	34.3	0	0	0	112.8	K26 P27 V28	K26-P114 HydrophobicContact CB-CB 3.83Å; K26-P114 HydrophobicContact CB-CG 4.03Å; K26-P114 HydrophobicContact CD-CB 4.13Å; P27-P114 WeakPolarHBondContact O-CA 3.32Å; V28-P114 HydrophobicContact CG1-CG 4.19Å
115	L	92.7	Very high	97.6	Very high	86 Å²	86	75.6 Å²	75.6	45%	0.45	41%	0.41	S	S	.	.			trans	-76	0	168.6	-67.1	177.2	0	0	0	113.3	V29 A90 Q105 V106 A109	V29-L115 HydrophobicContact CG2-CD1 4.46Å; V29-L115 HydrophobicContact CG2-CD2 3.33Å; V29-L115 HydrophobicContact CG2-CG 3.67Å; A90-L115 HydrophobicContact CB-CD1 3.3Å; Q105-L115 PolarHBondContact NE2-OXT 2.57Å; V106-L115 HydrophobicContact CB-CD2 4.39Å; V106-L115 HydrophobicContact CG2-CD1 3.91Å; V106-L115 HydrophobicContact CG2-CD2 4Å; A109-L115 HydrophobicContact CB-CD2 3.48Å; A109-L115 VanDerWaalsContact CB-CD2 3.48Å

Retrieved 115 of 115 residues in 77.4 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).