A0A093IAQ3_STRCA Loading...

Rhombotin-2

AlphaFold DB , UniProt , Accession A0A093IAQ3, Species STRCA (Struthio camelus australis), Gene n/a, Length 144 aa.

						>A0A093IAQ3_STRCA|A0A093IAQ3
EPVDEVLQIPPSLLTCGGCQQNIGDRYFLKAIDQYWHEDCLSCDLCGCRLGEVGRRLYYKLGRKLCRRDYLRLFGQDGLCASCDKRIRAYEMTMRVKDKVYHLECFKCAACQKHFCVGDRYLLINSDIVCEQDIYEWTKINGMI
					

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	E	35.2	Very low	52	Low	232 Å²	232	124.8 Å²	124.8	100%	1.084	67%	0.67	S	S	*	*				0	136.4	0	-67.6	167.1	110.9	0	0	107.7	V3	E1-V3 PolarHBondContact O-N 2.93Å
2	P	42.2	Very low	53.3	Low	114 Å²	114	120.3 Å²	120.3	74%	0.74	66%	0.656	S	S	*	*			trans	-68.8	128.1	-178.1	27.9	-29.3	0	0	0	109.1	D4	P2-D4 PolarHBondContact O-N 2.84Å
3	V	41.2	Very low	55.1	Low	141 Å²	141	120.5 Å²	120.5	86%	0.855	65%	0.654	S	S	*	*			trans	-76.7	69	-178.2	-77.7	0	0	0	0	110.3	E1 E5	E1-V3 PolarHBondContact O-N 2.93Å; V3-E5 VanDerWaalsContact C-N 3.27Å; V3-E5 PolarHBondContact O-N 3.02Å
4	D	43.7	Very low	57.4	Low	136 Å²	136	112.5 Å²	112.5	73%	0.727	61%	0.611	S	S	*	*			trans	-94.5	40.9	169.2	-71.2	-42.8	0	0	0	111	P2 V6	P2-D4 PolarHBondContact O-N 2.84Å; D4-V6 VanDerWaalsContact C-N 3.26Å; D4-V6 PolarHBondContact O-N 2.92Å
5	E	52.1	Low	59.8	Low	170 Å²	170	109.5 Å²	109.5	79%	0.794	60%	0.598	S	S	*	*			trans	-74.9	90.1	158.6	-86.4	-172.8	152.7	0	0	107.3	V3 L7	V3-E5 VanDerWaalsContact C-N 3.27Å; V3-E5 PolarHBondContact O-N 3.02Å; E5-L7 VanDerWaalsContact C-N 3.33Å; E5-L7 PolarHBondContact O-N 2.91Å
6	V	52.8	Low	61.9	Low	124 Å²	124	102.7 Å²	102.7	75%	0.752	56%	0.561	S	S	*	*			trans	-55.9	100.9	167.4	-177.5	0	0	0	0	107	D4 Q8	D4-V6 VanDerWaalsContact C-N 3.26Å; D4-V6 PolarHBondContact O-N 2.92Å; V6-Q8 PolarHBondContact O-N 3.05Å
7	L	57.7	Low	63.6	Low	66 Å²	66	97.8 Å²	97.8	35%	0.346	54%	0.54	S	S	.	.			trans	-56	109.4	173.7	-73.6	162.2	0	0	0	107.1	E5 I9 F28 Y35	E5-L7 VanDerWaalsContact C-N 3.33Å; E5-L7 PolarHBondContact O-N 2.91Å; L7-I9 PolarHBondContact O-N 3.49Å; L7-F28 HydrophobicContact CD1-CE2 3.63Å; L7-F28 HydrophobicContact CD1-CZ 3.41Å; L7-F28 VanDerWaalsContact CD1-CZ 3.41Å; L7-Y35 HydrophobicContact CD1-CE1 4.15Å
8	Q	57.8	Low	65.2	Low	193 Å²	193	94.7 Å²	94.7	90%	0.902	53%	0.533	S	S	*	.	S	Bend	trans	-67	6.9	179	-70.6	175	-18.8	0	0	113	V6	V6-Q8 PolarHBondContact O-N 3.05Å
9	I	62.1	Low	66.7	Low	78 Å²	78	92.4 Å²	92.4	40%	0.4	52%	0.523	S	S	.	.	S	Bend	trans	-110.8	122	-174.7	-55.8	168.4	0	0	0	107.2	L7 L13 L14	L7-I9 PolarHBondContact O-N 3.49Å; I9-L13 HydrophobicContact CG2-CB 3.83Å; I9-L13 HydrophobicContact CG2-CD1 4.22Å; I9-L14 HydrophobicContact CB-CD2 4.46Å; I9-L14 HydrophobicContact CG2-CD2 3.95Å
10	P	64	Low	68.1	Low	67 Å²	67	94.3 Å²	94.3	44%	0.435	53%	0.528	S	S	.	.			trans	-58.5	136.7	175.7	20.7	-30.2	0	0	0	110.1	S12 L13	P10-S12 PolarHBondContact O-N 3.03Å; P10-L13 HydrophobicContact CG-CD1 3.64Å; P10-L13 HydrophobicContact CG-CG 3.98Å; P10-L13 PolarHBondContact O-N 2.92Å
11	P	63.3	Low	69.2	Low	52 Å²	52	95.9 Å²	95.9	34%	0.338	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-51.8	-32.4	-177.7	-28.1	33.9	0	0	0	113.6	L13 L14 I23 F28	P11-L13 PolarHBondContact O-N 2.85Å; P11-L14 WeakPolarHBondContact O-CB 3.4Å; P11-L14 PolarHBondContact O-N 3.27Å; P11-I23 CarbonylContact C-O 3.49Å; P11-I23 WeakPolarHBondContact CB-O 3.46Å; P11-F28 HydrophobicContact CB-CE1 4.46Å; P11-F28 HydrophobicContact CG-CE1 4.31Å
12	S	67.1	Low	71.9	Confident	71 Å²	71	89.5 Å²	89.5	50%	0.497	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-61.1	-13	176.8	52.9	0	0	0	0	115.3	P10 N22 I23	P10-S12 PolarHBondContact O-N 3.03Å; S12-N22 PolarHBondContact O-ND2 3.29Å; S12-I23 PolarHBondContact N-O 3.28Å
13	L	77	Confident	74.3	Confident	122 Å²	122	84 Å²	84	64%	0.639	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-97.4	-6.5	171.5	-66.8	176.7	0	0	0	113.3	I9 P10 P11	I9-L13 HydrophobicContact CG2-CB 3.83Å; I9-L13 HydrophobicContact CG2-CD1 4.22Å; P10-L13 HydrophobicContact CG-CD1 3.64Å; P10-L13 HydrophobicContact CG-CG 3.98Å; P10-L13 PolarHBondContact O-N 2.92Å; P11-L13 PolarHBondContact O-N 2.85Å
14	L	87.8	Confident	76.5	Confident	9 Å²	9	80.7 Å²	80.7	5%	0.047	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-88.1	127.5	177.3	-54.6	179	0	0	0	109.2	I9 P11 N22 I23 F28 Y35	I9-L14 HydrophobicContact CB-CD2 4.46Å; I9-L14 HydrophobicContact CG2-CD2 3.95Å; P11-L14 WeakPolarHBondContact O-CB 3.4Å; P11-L14 PolarHBondContact O-N 3.27Å; L14-N22 CarbonylContact O-C 3.53Å; L14-N22 WeakPolarHBondContact O-CA 3.32Å; L14-I23 HydrophobicContact CB-CB 4.3Å; L14-I23 HydrophobicContact CB-CD1 4.08Å; L14-I23 HydrophobicContact CB-CG1 4.45Å; L14-I23 PolarHBondContact O-N 2.94Å; L14-F28 HydrophobicContact CD1-CD2 4.39Å; L14-F28 HydrophobicContact CD1-CE1 4.19Å; L14-F28 HydrophobicContact CD1-CE2 3.73Å; L14-F28 HydrophobicContact CD1-CZ 3.6Å; L14-Y35 HydrophobicContact CB-CD2 4.37Å; L14-Y35 HydrophobicContact CB-CG 4.34Å; L14-Y35 HydrophobicContact CD1-CD1 4.01Å; L14-Y35 HydrophobicContact CD1-CE1 4.21Å; L14-Y35 HydrophobicContact CD1-CG 4.17Å; L14-Y35 HydrophobicContact CD2-CD2 3.87Å; L14-Y35 HydrophobicContact CD2-CE2 3.72Å; L14-Y35 HydrophobicContact CD2-CG 4.34Å; L14-Y35 HydrophobicContact CG-CD2 4.49Å
15	T	92.6	Very high	78.5	Confident	68 Å²	68	77.8 Å²	77.8	42%	0.417	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-99.3	132.1	177	-49.5	0	0	0	0	110.3	G17	T15-G17 PolarHBondContact O-N 2.86Å
16	C	93.8	Very high	80	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-71.8	124.3	178	177.8	0	0	0	0	111.3	G18 C19 Q20 Q21 I23 Y35 C40	C16-G18 PolarHBondContact O-N 3.39Å; C16-G18 VanDerWaalsContact O-N 3.13Å; C16-G18 PolarHBondContact SG-N 3.41Å; C16-G18 VanDerWaalsContact SG-N 3.44Å; C16-C19 VanDerWaalsContact CB-SG 3.6Å; C16-C19 VanDerWaalsContact SG-SG 3.65Å; C16-Q20 VanDerWaalsContact O-CA 3.27Å; C16-Q20 WeakPolarHBondContact O-CA 3.21Å; C16-Q20 PolarHBondContact O-N 2.94Å; C16-Q21 WeakPolarHBondContact CB-O 3.33Å; C16-Q21 PolarHBondContact N-O 3Å; C16-I23 HydrophobicContact CB-CD1 4.29Å; C16-I23 HydrophobicContact CB-CG1 4.01Å; C16-Y35 CarbonylContact C-O 3.53Å; C16-Y35 WeakPolarHBondContact CA-O 3.32Å; C16-C40 WeakPolarHBondContact SG-CB 3.47Å
17	G	91.3	Very high	81.6	Confident	20 Å²	20	80.7 Å²	80.7	21%	0.206	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.8	177.7	0	0	0	0	0	114.8	T15 Q20 Y35 W36	T15-G17 PolarHBondContact O-N 2.86Å; G17-Q20 PolarHBondContact O-NE2 3.41Å; G17-Y35 PolarHBondContact N-O 2.81Å; G17-W36 VanDerWaalsContact C-CZ3 3.41Å
18	G	91.6	Very high	83.1	Confident	41 Å²	41	80 Å²	80	42%	0.423	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-56	179.8	0	0	0	0	0	113.9	C16 W36	C16-G18 PolarHBondContact O-N 3.39Å; C16-G18 VanDerWaalsContact O-N 3.13Å; C16-G18 PolarHBondContact SG-N 3.41Å; C16-G18 VanDerWaalsContact SG-N 3.44Å; G18-W36 VanDerWaalsContact N-CZ3 3.25Å
19	C	94	Very high	84.7	Confident	51 Å²	51	72.6 Å²	72.6	35%	0.345	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5	-174.6	66.3	0	0	0	0	114.5	C16 Q21 H37	C16-C19 VanDerWaalsContact CB-SG 3.6Å; C16-C19 VanDerWaalsContact SG-SG 3.65Å; C19-Q21 PolarHBondContact O-N 3.13Å; C19-Q21 VanDerWaalsContact O-N 3.13Å; C19-H37 VanDerWaalsContact SG-CE1 3.5Å; C19-H37 PolarHBondContact SG-ND1 3.12Å
20	Q	93.8	Very high	86	Confident	131 Å²	131	75.1 Å²	75.1	61%	0.612	41%	0.407	S	S	*	.			trans	60.1	17.5	-178.4	-54	-61.5	-39.6	0	0	114.5	C16 G17	C16-Q20 VanDerWaalsContact O-CA 3.27Å; C16-Q20 WeakPolarHBondContact O-CA 3.21Å; C16-Q20 PolarHBondContact O-N 2.94Å; G17-Q20 PolarHBondContact O-NE2 3.41Å
21	Q	92.9	Very high	87.3	Confident	128 Å²	128	72.7 Å²	72.7	60%	0.598	39%	0.393	S	S	*	.	S	Bend	trans	-96.9	157.7	173.2	-59.7	-60.6	-45.3	0	0	110.7	C16 C19	C16-Q21 WeakPolarHBondContact CB-O 3.33Å; C16-Q21 PolarHBondContact N-O 3Å; C19-Q21 PolarHBondContact O-N 3.13Å; C19-Q21 VanDerWaalsContact O-N 3.13Å
22	N	92.1	Very high	88.6	Confident	97 Å²	97	72.4 Å²	72.4	52%	0.519	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-69.5	143.4	174.6	-66.9	-17	0	0	0	111.1	S12 L14 G24	S12-N22 PolarHBondContact O-ND2 3.29Å; L14-N22 CarbonylContact O-C 3.53Å; L14-N22 WeakPolarHBondContact O-CA 3.32Å; N22-G24 PolarHBondContact O-N 3.19Å
23	I	91	Very high	89.6	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	40%	0.404	C	S	.	.			trans	-86.2	100.3	-176.9	-59.6	174.3	0	0	0	109.3	P11 S12 L14 C16 D25 F28 Y35 H37	P11-I23 CarbonylContact C-O 3.49Å; P11-I23 WeakPolarHBondContact CB-O 3.46Å; S12-I23 PolarHBondContact N-O 3.28Å; L14-I23 HydrophobicContact CB-CB 4.3Å; L14-I23 HydrophobicContact CB-CD1 4.08Å; L14-I23 HydrophobicContact CB-CG1 4.45Å; L14-I23 PolarHBondContact O-N 2.94Å; C16-I23 HydrophobicContact CB-CD1 4.29Å; C16-I23 HydrophobicContact CB-CG1 4.01Å; I23-D25 HydrophobicContact CG2-CB 4.43Å; I23-F28 HydrophobicContact CG2-CB 3.72Å; I23-F28 HydrophobicContact CG2-CD1 4.17Å; I23-F28 HydrophobicContact CG2-CG 4.09Å; I23-Y35 VanDerWaalsContact CD1-CB 3.46Å; I23-H37 WeakPolarHBondContact CA-NE2 3.47Å
24	G	87.5	Confident	90.3	Very high	70 Å²	70	74.9 Å²	74.9	72%	0.722	39%	0.394	S	S	*	.			trans	-88.4	-5	174.9	0	0	0	0	0	114.4	N22	N22-G24 PolarHBondContact O-N 3.19Å
25	D	85.8	Confident	90.5	Very high	75 Å²	75	76.6 Å²	76.6	40%	0.401	40%	0.4	S	S	.	.			trans	-74.5	149.8	-170	-64.4	-25.6	0	0	0	112.8	I23 Y27 H37	I23-D25 HydrophobicContact CG2-CB 4.43Å; D25-Y27 VanDerWaalsContact C-N 3.27Å; D25-Y27 WeakPolarHBondContact CB-O 3.36Å; D25-Y27 PolarHBondContact O-N 2.88Å; D25-H37 IonicContact OD2-CD2 3.12Å; D25-H37 PolarHBondContact OD2-CD2 3.34Å; D25-H37 IonicContact OD2-CG 3.9Å
26	R	84.6	Confident	90.5	Very high	210 Å²	210	74 Å²	74	79%	0.792	38%	0.382	S	S	*	.	S	Bend	trans	-64	-34.4	174.5	-179.1	176	177.1	165	1.6	112.3
27	Y	85.7	Confident	90.5	Very high	146 Å²	146	75.3 Å²	75.3	57%	0.573	39%	0.388	S	S	*	.	S	Bend	trans	-125.8	140.1	178.8	-56	-66.4	0	0	0	109.1	D25	D25-Y27 VanDerWaalsContact C-N 3.27Å; D25-Y27 WeakPolarHBondContact CB-O 3.36Å; D25-Y27 PolarHBondContact O-N 2.88Å
28	F	89.8	Confident	90.4	Very high	51 Å²	51	79.1 Å²	79.1	22%	0.224	40%	0.401	C	S	.	.			trans	-150.3	168.5	179.7	59	-92.4	0	0	0	109.9	L7 P11 L14 I23 Y35	L7-F28 HydrophobicContact CD1-CE2 3.63Å; L7-F28 HydrophobicContact CD1-CZ 3.41Å; L7-F28 VanDerWaalsContact CD1-CZ 3.41Å; P11-F28 HydrophobicContact CB-CE1 4.46Å; P11-F28 HydrophobicContact CG-CE1 4.31Å; L14-F28 HydrophobicContact CD1-CD2 4.39Å; L14-F28 HydrophobicContact CD1-CE1 4.19Å; L14-F28 HydrophobicContact CD1-CE2 3.73Å; L14-F28 HydrophobicContact CD1-CZ 3.6Å; I23-F28 HydrophobicContact CG2-CB 3.72Å; I23-F28 HydrophobicContact CG2-CD1 4.17Å; I23-F28 HydrophobicContact CG2-CG 4.09Å; F28-Y35 AromaticContact CD2-CD1 3.92Å; F28-Y35 HydrophobicContact CD2-CD1 3.92Å; F28-Y35 AromaticContact CE2-CD1 3.64Å; F28-Y35 HydrophobicContact CE2-CD1 3.64Å; F28-Y35 AromaticContact CE2-CE1 3.97Å; F28-Y35 HydrophobicContact CE2-CE1 3.97Å
29	L	90.9	Very high	90.3	Very high	38 Å²	38	81.4 Å²	81.4	20%	0.199	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.7	-174.5	-55.3	174.8	0	0	0	110.4	Y35 W36 E38 L41	L29-Y35 CarbonylContact O-C 3.49Å; L29-Y35 WeakPolarHBondContact O-CA 3.27Å; L29-W36 HydrophobicContact CB-CB 4.41Å; L29-W36 PolarHBondContact N-O 3.13Å; L29-W36 PolarHBondContact O-N 2.9Å; L29-E38 HydrophobicContact CG-CG 4.39Å; L29-L41 HydrophobicContact CB-CD2 4.27Å; L29-L41 HydrophobicContact CD1-CB 4.06Å; L29-L41 HydrophobicContact CD1-CD2 3.76Å
30	K	90.4	Very high	90.3	Very high	131 Å²	131	80.4 Å²	80.4	57%	0.57	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.6	168.8	-173.3	178.8	-179.7	-178.6	0	108.9	Q34 Y35	K30-Q34 WeakPolarHBondContact CA-O 3.38Å; K30-Y35 HydrophobicContact CB-CD1 4.27Å; K30-Y35 HydrophobicContact CB-CE1 4.27Å; K30-Y35 HydrophobicContact CD-CE1 3.98Å; K30-Y35 HydrophobicContact CG-CD1 4.32Å; K30-Y35 HydrophobicContact CG-CE1 4.05Å
31	A	90.2	Very high	90.3	Very high	16 Å²	16	74.5 Å²	74.5	13%	0.132	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	145.6	-178.5	0	0	0	0	0	111	D33 Q34 W36 L41 L57	A31-D33 PolarHBondContact O-N 3.44Å; A31-Q34 PolarHBondContact N-O 2.9Å; A31-Q34 PolarHBondContact O-N 3.46Å; A31-W36 PolarHBondContact O-NE1 3.33Å; A31-L41 HydrophobicContact CB-CD1 4.22Å; A31-L41 HydrophobicContact CB-CD2 4.02Å; A31-L57 HydrophobicContact CB-CD2 3.61Å
32	I	90.9	Very high	90.4	Very high	45 Å²	45	69.9 Å²	69.9	23%	0.231	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	44.6	179.7	-47	155.9	0	0	0	110.3	Q34 L57 Y59 K64	I32-Q34 PolarHBondContact O-N 3.13Å; I32-L57 HydrophobicContact CD1-CD1 4.28Å; I32-L57 HydrophobicContact CD1-CD2 4.11Å; I32-L57 HydrophobicContact CG1-CD2 4.1Å; I32-Y59 HydrophobicContact CD1-CD2 3.47Å; I32-Y59 VanDerWaalsContact CD1-CD2 3.47Å; I32-Y59 HydrophobicContact CD1-CE2 4.05Å; I32-Y59 HydrophobicContact CD1-CG 4.01Å; I32-Y59 HydrophobicContact CG1-CD2 3.99Å; I32-Y59 HydrophobicContact CG1-CG 4.05Å; I32-Y59 HydrophobicContact CG2-CD1 4Å; I32-Y59 HydrophobicContact CG2-CD2 3.95Å; I32-Y59 HydrophobicContact CG2-CE1 3.91Å; I32-Y59 HydrophobicContact CG2-CE2 3.85Å; I32-Y59 HydrophobicContact CG2-CG 3.99Å; I32-K64 HydrophobicContact CD1-CB 4.08Å
33	D	88.8	Confident	90.5	Very high	157 Å²	157	65.4 Å²	65.4	84%	0.84	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	18.8	-177.7	-55	-46.5	0	0	0	115.6	A31	A31-D33 PolarHBondContact O-N 3.44Å
34	Q	91.3	Very high	90.7	Very high	89 Å²	89	68.6 Å²	68.6	42%	0.416	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	163.2	178.9	-67.9	179.6	17	0	0	111.1	K30 A31 I32 W36	K30-Q34 WeakPolarHBondContact CA-O 3.38Å; A31-Q34 PolarHBondContact N-O 2.9Å; A31-Q34 PolarHBondContact O-N 3.46Å; I32-Q34 PolarHBondContact O-N 3.13Å; Q34-W36 HydrophobicContact CB-CZ2 4.01Å; Q34-W36 VanDerWaalsContact O-CD1 3.29Å; Q34-W36 PolarHBondContact O-NE1 2.93Å
35	Y	91.9	Very high	91.1	Very high	45 Å²	45	69.1 Å²	69.1	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.5	174.8	-58.8	-81.3	0	0	0	110.6	L7 L14 C16 G17 I23 F28 L29 K30	L7-Y35 HydrophobicContact CD1-CE1 4.15Å; L14-Y35 HydrophobicContact CB-CD2 4.37Å; L14-Y35 HydrophobicContact CB-CG 4.34Å; L14-Y35 HydrophobicContact CD1-CD1 4.01Å; L14-Y35 HydrophobicContact CD1-CE1 4.21Å; L14-Y35 HydrophobicContact CD1-CG 4.17Å; L14-Y35 HydrophobicContact CD2-CD2 3.87Å; L14-Y35 HydrophobicContact CD2-CE2 3.72Å; L14-Y35 HydrophobicContact CD2-CG 4.34Å; L14-Y35 HydrophobicContact CG-CD2 4.49Å; C16-Y35 CarbonylContact C-O 3.53Å; C16-Y35 WeakPolarHBondContact CA-O 3.32Å; G17-Y35 PolarHBondContact N-O 2.81Å; I23-Y35 VanDerWaalsContact CD1-CB 3.46Å; F28-Y35 AromaticContact CD2-CD1 3.92Å; F28-Y35 HydrophobicContact CD2-CD1 3.92Å; F28-Y35 AromaticContact CE2-CD1 3.64Å; F28-Y35 HydrophobicContact CE2-CD1 3.64Å; F28-Y35 AromaticContact CE2-CE1 3.97Å; F28-Y35 HydrophobicContact CE2-CE1 3.97Å; L29-Y35 CarbonylContact O-C 3.49Å; L29-Y35 WeakPolarHBondContact O-CA 3.27Å; K30-Y35 HydrophobicContact CB-CD1 4.27Å; K30-Y35 HydrophobicContact CB-CE1 4.27Å; K30-Y35 HydrophobicContact CD-CE1 3.98Å; K30-Y35 HydrophobicContact CG-CD1 4.32Å; K30-Y35 HydrophobicContact CG-CE1 4.05Å
36	W	93.2	Very high	91.5	Very high	13 Å²	13	68 Å²	68	5%	0.049	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.9	-173.3	-51.3	79.5	0	0	0	110.7	G17 G18 L29 A31 Q34 L41 K64	G17-W36 VanDerWaalsContact C-CZ3 3.41Å; G18-W36 VanDerWaalsContact N-CZ3 3.25Å; L29-W36 HydrophobicContact CB-CB 4.41Å; L29-W36 PolarHBondContact N-O 3.13Å; L29-W36 PolarHBondContact O-N 2.9Å; A31-W36 PolarHBondContact O-NE1 3.33Å; Q34-W36 HydrophobicContact CB-CZ2 4.01Å; Q34-W36 VanDerWaalsContact O-CD1 3.29Å; Q34-W36 PolarHBondContact O-NE1 2.93Å; W36-L41 HydrophobicContact CB-CB 3.91Å; W36-L41 HydrophobicContact CB-CD1 4.47Å; W36-L41 HydrophobicContact CD2-CB 4.44Å; W36-L41 HydrophobicContact CD2-CD1 3.64Å; W36-L41 HydrophobicContact CE3-CD1 4.06Å; W36-L41 HydrophobicContact CG-CB 4.16Å; W36-L41 HydrophobicContact CG-CD1 3.8Å; W36-L41 HydrophobicContact CG-CG 4.45Å; W36-L41 HydrophobicContact CZ2-CD1 4.47Å; W36-K64 HydrophobicContact CH2-CD 4.26Å; W36-K64 HydrophobicContact CZ3-CD 4.25Å
37	H	92.1	Very high	91.9	Very high	27 Å²	27	60.2 Å²	60.2	13%	0.125	31%	0.313	C	S	.	.			trans	-62.2	151	158.4	-58	124.9	0	0	0	109.9	C19 I23 D25 D39 C40 L41	C19-H37 VanDerWaalsContact SG-CE1 3.5Å; C19-H37 PolarHBondContact SG-ND1 3.12Å; I23-H37 WeakPolarHBondContact CA-NE2 3.47Å; D25-H37 IonicContact OD2-CD2 3.12Å; D25-H37 PolarHBondContact OD2-CD2 3.34Å; D25-H37 IonicContact OD2-CG 3.9Å; H37-D39 PolarHBondContact O-N 3.32Å; H37-D39 VanDerWaalsContact O-N 3.15Å; H37-C40 HydrophobicContact CB-CB 3.98Å; H37-C40 PolarHBondContact O-N 2.86Å; H37-L41 PolarHBondContact O-N 3.43Å
38	E	89.6	Confident	92.2	Very high	100 Å²	100	54.8 Å²	54.8	47%	0.467	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.2	177.5	-64.4	-171.2	151	0	0	112.3	L29	L29-E38 HydrophobicContact CG-CG 4.39Å
39	D	90.8	Very high	92.3	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-23.5	-178.7	-71.8	-1.7	0	0	0	113.5	H37 R49	H37-D39 PolarHBondContact O-N 3.32Å; H37-D39 VanDerWaalsContact O-N 3.15Å; D39-R49 VanDerWaalsContact CG-CZ 3.47Å; D39-R49 IonicContact OD1-CZ 2.81Å; D39-R49 IonicContact OD1-NE 3.44Å; D39-R49 PolarHBondContact OD1-NE 2.83Å; D39-R49 IonicContact OD1-NH1 2.8Å; D39-R49 PolarHBondContact OD1-NH1 2.85Å; D39-R49 IonicContact OD1-NH2 2.96Å; D39-R49 PolarHBondContact OD1-NH2 3.01Å; D39-R49 IonicContact OD2-CZ 3.73Å; D39-R49 IonicContact OD2-NH2 3.01Å; D39-R49 PolarHBondContact OD2-NH2 3.4Å
40	C	93.4	Very high	92.4	Very high	30 Å²	30	56.3 Å²	56.3	20%	0.203	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-24.7	-177.6	-72.7	0	0	0	0	113	C16 H37 S42	C16-C40 WeakPolarHBondContact SG-CB 3.47Å; H37-C40 HydrophobicContact CB-CB 3.98Å; H37-C40 PolarHBondContact O-N 2.86Å; C40-S42 VanDerWaalsContact C-N 3.3Å; C40-S42 PolarHBondContact O-N 2.9Å
41	L	93.7	Very high	92.1	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.037	29%	0.289	C	S	.	.			trans	-80.9	79.3	175.2	-169.1	70.1	0	0	0	110.1	L29 A31 W36 H37 L50 K64	L29-L41 HydrophobicContact CB-CD2 4.27Å; L29-L41 HydrophobicContact CD1-CB 4.06Å; L29-L41 HydrophobicContact CD1-CD2 3.76Å; A31-L41 HydrophobicContact CB-CD1 4.22Å; A31-L41 HydrophobicContact CB-CD2 4.02Å; W36-L41 HydrophobicContact CB-CB 3.91Å; W36-L41 HydrophobicContact CB-CD1 4.47Å; W36-L41 HydrophobicContact CD2-CB 4.44Å; W36-L41 HydrophobicContact CD2-CD1 3.64Å; W36-L41 HydrophobicContact CE3-CD1 4.06Å; W36-L41 HydrophobicContact CG-CB 4.16Å; W36-L41 HydrophobicContact CG-CD1 3.8Å; W36-L41 HydrophobicContact CG-CG 4.45Å; W36-L41 HydrophobicContact CZ2-CD1 4.47Å; H37-L41 PolarHBondContact O-N 3.43Å; L41-L50 HydrophobicContact CD2-CB 4.43Å; L41-L50 HydrophobicContact CG-CB 4.19Å; L41-L50 WeakPolarHBondContact O-CB 3.19Å; L41-L50 PolarHBondContact O-N 3.07Å; L41-K64 HydrophobicContact CD1-CD 4.2Å
42	S	94.9	Very high	91.9	Very high	31 Å²	31	55 Å²	55	22%	0.217	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-116.7	161.2	-178.8	60.5	0	0	0	0	112.9	C40 G47 C48 K64	C40-S42 VanDerWaalsContact C-N 3.3Å; C40-S42 PolarHBondContact O-N 2.9Å; S42-G47 WeakPolarHBondContact CB-O 3.47Å; S42-C48 CarbonylContact C-O 2.92Å; S42-C48 VanDerWaalsContact CA-O 3.25Å; S42-C48 WeakPolarHBondContact CA-O 3.32Å; S42-K64 VanDerWaalsContact O-CD 3.24Å; S42-K64 WeakPolarHBondContact O-CD 3.31Å; S42-K64 WeakPolarHBondContact O-CE 3.25Å; S42-K64 WeakPolarHBondContact O-CG 3.19Å
43	C	95.1	Very high	91.1	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.02	34%	0.336	C	S	.	.			trans	-68.8	131.1	173.8	-178.3	0	0	0	0	110.8	L45 C46 G47 C48 L50 C66 D69	C43-L45 PolarHBondContact O-N 2.68Å; C43-L45 VanDerWaalsContact O-N 3.1Å; C43-L45 PolarHBondContact SG-N 2.9Å; C43-C46 VanDerWaalsContact CB-SG 3.58Å; C43-G47 VanDerWaalsContact O-CA 3.25Å; C43-G47 WeakPolarHBondContact O-CA 3.43Å; C43-G47 PolarHBondContact O-N 2.82Å; C43-C48 PolarHBondContact N-O 3.26Å; C43-L50 HydrophobicContact CB-CD2 4.28Å; C43-C66 HydrophobicContact CB-CB 4.22Å; C43-C66 PolarHBondContact SG-N 2.87Å; C43-C66 VanDerWaalsContact SG-N 3.37Å; C43-D69 PolarHBondContact SG-OD2 2.81Å
44	D	95	Very high	90.5	Very high	68 Å²	68	56.7 Å²	56.7	36%	0.364	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17	179	-67	-26	0	0	0	114	R63 K64	D44-R63 WeakPolarHBondContact OD2-CA 3.5Å; D44-R63 WeakPolarHBondContact OD2-CB 3.04Å; D44-K64 PolarHBondContact N-O 3.1Å; D44-K64 VanDerWaalsContact OD1-CG 3.26Å; D44-K64 WeakPolarHBondContact OD1-CG 3.49Å; D44-K64 IonicContact OD1-NZ 2.68Å; D44-K64 PolarHBondContact OD1-NZ 2.87Å; D44-K64 WeakPolarHBondContact OD2-CG 3.31Å; D44-K64 PolarHBondContact OD2-N 3.48Å
45	L	94.4	Very high	90.1	Very high	80 Å²	80	57.4 Å²	57.4	42%	0.419	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-46	-178.8	-68.2	-172.7	0	0	0	114.2	C43 L65 D69 L73	C43-L45 PolarHBondContact O-N 2.68Å; C43-L45 VanDerWaalsContact O-N 3.1Å; C43-L45 PolarHBondContact SG-N 2.9Å; L45-L65 HydrophobicContact CB-CD2 4.44Å; L45-L65 HydrophobicContact CD1-CD2 3.98Å; L45-L65 HydrophobicContact CG-CD2 3.8Å; L45-D69 HydrophobicContact CB-CB 4.22Å; L45-D69 HydrophobicContact CD1-CB 3.95Å; L45-L73 HydrophobicContact CD1-CD1 3.64Å; L45-L73 HydrophobicContact CD1-CD2 4.46Å; L45-L73 HydrophobicContact CD1-CG 4.05Å
46	C	94.1	Very high	89.9	Confident	52 Å²	52	62.6 Å²	62.6	35%	0.351	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-6.3	-177.4	67.9	0	0	0	0	114.5	C43 C48 D69	C43-C46 VanDerWaalsContact CB-SG 3.58Å; C46-C48 PolarHBondContact O-N 2.79Å; C46-C48 PolarHBondContact SG-SG 3Å; C46-D69 WeakPolarHBondContact CB-OD2 3.49Å; C46-D69 PolarHBondContact SG-OD2 3.01Å
47	G	92.9	Very high	89.9	Confident	47 Å²	47	64.7 Å²	64.7	49%	0.485	37%	0.365	S	S	.	.			trans	70.7	2.9	-179.5	0	0	0	0	0	115.2	S42 C43	S42-G47 WeakPolarHBondContact CB-O 3.47Å; C43-G47 VanDerWaalsContact O-CA 3.25Å; C43-G47 WeakPolarHBondContact O-CA 3.43Å; C43-G47 PolarHBondContact O-N 2.82Å
48	C	92.3	Very high	90	Very high	31 Å²	31	66.1 Å²	66.1	21%	0.209	37%	0.37	C	S	.	.			trans	-64.5	140.6	179	75.2	0	0	0	0	111	S42 C43 C46 L50	S42-C48 CarbonylContact C-O 2.92Å; S42-C48 VanDerWaalsContact CA-O 3.25Å; S42-C48 WeakPolarHBondContact CA-O 3.32Å; C43-C48 PolarHBondContact N-O 3.26Å; C46-C48 PolarHBondContact O-N 2.79Å; C46-C48 PolarHBondContact SG-SG 3Å; C48-L50 PolarHBondContact O-N 3.15Å
49	R	93	Very high	90.2	Very high	113 Å²	113	67.6 Å²	67.6	43%	0.426	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-65.5	128.9	176.4	-57.4	174.1	-179.2	-157	-14.1	109.8	D39 E52 R55	D39-R49 VanDerWaalsContact CG-CZ 3.47Å; D39-R49 IonicContact OD1-CZ 2.81Å; D39-R49 IonicContact OD1-NE 3.44Å; D39-R49 PolarHBondContact OD1-NE 2.83Å; D39-R49 IonicContact OD1-NH1 2.8Å; D39-R49 PolarHBondContact OD1-NH1 2.85Å; D39-R49 IonicContact OD1-NH2 2.96Å; D39-R49 PolarHBondContact OD1-NH2 3.01Å; D39-R49 IonicContact OD2-CZ 3.73Å; D39-R49 IonicContact OD2-NH2 3.01Å; D39-R49 PolarHBondContact OD2-NH2 3.4Å; R49-E52 HydrophobicContact CB-CG 4.19Å; R49-E52 WeakPolarHBondContact CB-OE1 3.48Å; R49-R55 WeakPolarHBondContact O-CD 3.24Å; R49-R55 PolarHBondContact O-NH1 3.04Å
50	L	93	Very high	90.3	Very high	8 Å²	8	67.3 Å²	67.3	4%	0.042	37%	0.367	C	S	.	.	S	Bend	trans	-94.7	-11.8	-176.7	-61.6	172.7	0	0	0	112.7	L41 C43 C48 E52 L57 K64 C66	L41-L50 HydrophobicContact CD2-CB 4.43Å; L41-L50 HydrophobicContact CG-CB 4.19Å; L41-L50 WeakPolarHBondContact O-CB 3.19Å; L41-L50 PolarHBondContact O-N 3.07Å; C43-L50 HydrophobicContact CB-CD2 4.28Å; C48-L50 PolarHBondContact O-N 3.15Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-L57 HydrophobicContact CD1-CD1 3.43Å; L50-L57 VanDerWaalsContact CD1-CD1 3.43Å; L50-K64 HydrophobicContact CD1-CB 4.31Å; L50-C66 HydrophobicContact CD2-CB 3.71Å
51	G	84.6	Confident	90.3	Very high	38 Å²	38	72.6 Å²	72.6	39%	0.392	39%	0.392	S	S	.	.	S	Bend	trans	-79.1	-9.7	173.9	0	0	0	0	0	115.2
52	E	84.1	Confident	90.2	Very high	83 Å²	83	74.7 Å²	74.7	39%	0.388	42%	0.416	S	S	.	.	S	Bend	trans	-69.1	142.2	177.7	-72.1	173.8	-140.2	0	0	111.9	R49 L50 G54 R55	R49-E52 HydrophobicContact CB-CG 4.19Å; R49-E52 WeakPolarHBondContact CB-OE1 3.48Å; L50-E52 VanDerWaalsContact C-N 3.34Å; E52-G54 PolarHBondContact O-N 3.28Å; E52-R55 PolarHBondContact O-N 3.06Å; E52-R55 VanDerWaalsContact O-N 3.13Å; E52-R55 IonicContact OE1-CZ 2.8Å; E52-R55 IonicContact OE1-NH1 2.85Å; E52-R55 PolarHBondContact OE1-NH1 3.37Å; E52-R55 IonicContact OE1-NH2 2.93Å; E52-R55 IonicContact OE2-CZ 3.73Å; E52-R55 IonicContact OE2-NE 3.74Å; E52-R55 IonicContact OE2-NH1 3.63Å; E52-R55 PolarHBondContact OE2-NH1 3.44Å; E52-R55 IonicContact OE2-NH2 3.92Å; E52-R55 PolarHBondContact OE2-NH2 3.31Å
53	V	75.4	Confident	90.1	Very high	157 Å²	157	79 Å²	79	95%	0.952	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	131.5	178.5	-179.6	0	0	0	0	110.9	R55	V53-R55 VanDerWaalsContact C-N 3.35Å
54	G	75.6	Confident	90.1	Very high	80 Å²	80	80.4 Å²	80.4	83%	0.825	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-7.2	178.6	0	0	0	0	0	114.9	E52	E52-G54 PolarHBondContact O-N 3.28Å
55	R	83.1	Confident	90.1	Very high	103 Å²	103	77.2 Å²	77.2	39%	0.389	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-92.1	131.8	170.9	-66.7	-177.8	-178	159.8	11.1	110.2	R49 E52 V53	R49-R55 WeakPolarHBondContact O-CD 3.24Å; R49-R55 PolarHBondContact O-NH1 3.04Å; E52-R55 PolarHBondContact O-N 3.06Å; E52-R55 VanDerWaalsContact O-N 3.13Å; E52-R55 IonicContact OE1-CZ 2.8Å; E52-R55 IonicContact OE1-NH1 2.85Å; E52-R55 PolarHBondContact OE1-NH1 3.37Å; E52-R55 IonicContact OE1-NH2 2.93Å; E52-R55 IonicContact OE2-CZ 3.73Å; E52-R55 IonicContact OE2-NE 3.74Å; E52-R55 IonicContact OE2-NH1 3.63Å; E52-R55 PolarHBondContact OE2-NH1 3.44Å; E52-R55 IonicContact OE2-NH2 3.92Å; E52-R55 PolarHBondContact OE2-NH2 3.31Å; V53-R55 VanDerWaalsContact C-N 3.35Å
56	R	87.3	Confident	90.1	Very high	154 Å²	154	74 Å²	74	58%	0.581	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-97.6	129	174.5	-65.3	-177.4	-173.9	-176.3	-1.5	109.2	Y58	R56-Y58 HydrophobicContact CB-CD2 4.38Å; R56-Y58 HydrophobicContact CB-CE2 3.64Å
57	L	93.1	Very high	90	Very high	57 Å²	57	77.9 Å²	77.9	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.9	168.6	169.2	66.4	0	0	0	109.6	A31 I32 L50 K64	A31-L57 HydrophobicContact CB-CD2 3.61Å; I32-L57 HydrophobicContact CD1-CD1 4.28Å; I32-L57 HydrophobicContact CD1-CD2 4.11Å; I32-L57 HydrophobicContact CG1-CD2 4.1Å; L50-L57 HydrophobicContact CD1-CD1 3.43Å; L50-L57 VanDerWaalsContact CD1-CD1 3.43Å; L57-K64 HydrophobicContact CD1-CB 3.8Å
58	Y	94.2	Very high	90.1	Very high	57 Å²	57	82.7 Å²	82.7	22%	0.224	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.8	168.6	-65.6	-97.6	0	0	0	109.3	R56 L65 R67 Y70	R56-Y58 HydrophobicContact CB-CD2 4.38Å; R56-Y58 HydrophobicContact CB-CE2 3.64Å; Y58-L65 PolarHBondContact N-O 3.42Å; Y58-L65 PolarHBondContact O-N 2.86Å; Y58-R67 HydrophobicContact CD2-CB 4.43Å; Y58-R67 VanDerWaalsContact CE2-CA 3.43Å; Y58-R67 HydrophobicContact CE2-CB 3.66Å; Y58-R67 HydrophobicContact CE2-CG 3.99Å; Y58-Y70 VanDerWaalsContact CB-CD2 3.42Å; Y58-Y70 AromaticContact CD1-CD1 3.72Å; Y58-Y70 HydrophobicContact CD1-CD1 3.72Å; Y58-Y70 AromaticContact CD1-CD2 3.95Å; Y58-Y70 HydrophobicContact CD1-CD2 3.95Å; Y58-Y70 AromaticContact CD1-CE1 3.94Å; Y58-Y70 HydrophobicContact CD1-CE1 3.94Å; Y58-Y70 HydrophobicContact CD1-CE2 4.14Å; Y58-Y70 AromaticContact CD1-CG 3.73Å; Y58-Y70 HydrophobicContact CD1-CG 3.73Å; Y58-Y70 HydrophobicContact CD2-CG 4.27Å; Y58-Y70 HydrophobicContact CE1-CD1 4.06Å; Y58-Y70 HydrophobicContact CE1-CE1 4.26Å; Y58-Y70 HydrophobicContact CE1-CG 4.46Å; Y58-Y70 HydrophobicContact CG-CD1 4.05Å; Y58-Y70 AromaticContact CG-CD2 3.84Å; Y58-Y70 HydrophobicContact CG-CD2 3.84Å; Y58-Y70 HydrophobicContact CG-CE2 4.45Å; Y58-Y70 AromaticContact CG-CG 3.62Å; Y58-Y70 HydrophobicContact CG-CG 3.62Å
59	Y	94.1	Very high	90.2	Very high	131 Å²	131	81.5 Å²	81.5	51%	0.514	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.3	176	-174.2	-105.9	0	0	0	110.4	I32 G62 R63	I32-Y59 HydrophobicContact CD1-CD2 3.47Å; I32-Y59 VanDerWaalsContact CD1-CD2 3.47Å; I32-Y59 HydrophobicContact CD1-CE2 4.05Å; I32-Y59 HydrophobicContact CD1-CG 4.01Å; I32-Y59 HydrophobicContact CG1-CD2 3.99Å; I32-Y59 HydrophobicContact CG1-CG 4.05Å; I32-Y59 HydrophobicContact CG2-CD1 4Å; I32-Y59 HydrophobicContact CG2-CD2 3.95Å; I32-Y59 HydrophobicContact CG2-CE1 3.91Å; I32-Y59 HydrophobicContact CG2-CE2 3.85Å; I32-Y59 HydrophobicContact CG2-CG 3.99Å; Y59-G62 WeakPolarHBondContact OH-CA 3.33Å; Y59-R63 WeakPolarHBondContact CA-O 3.5Å; Y59-R63 WeakPolarHBondContact CD2-O 3.26Å
60	K	93.6	Very high	90.3	Very high	84 Å²	84	78.7 Å²	78.7	37%	0.365	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	137.2	179.5	-171.3	164.4	-179.2	179.6	0	110.5	G62 R63 Y70 F74	K60-G62 VanDerWaalsContact C-N 3.26Å; K60-G62 PolarHBondContact O-N 3.37Å; K60-R63 PolarHBondContact N-O 3.22Å; K60-R63 VanDerWaalsContact N-O 3.13Å; K60-R63 PolarHBondContact O-N 3.05Å; K60-Y70 HydrophobicContact CB-CE2 4.03Å; K60-Y70 HydrophobicContact CD-CE2 3.82Å; K60-F74 HydrophobicContact CB-CD2 4.4Å; K60-F74 HydrophobicContact CB-CE2 3.95Å; K60-F74 HydrophobicContact CB-CZ 4.32Å; K60-F74 HydrophobicContact CD-CB 4.42Å; K60-F74 HydrophobicContact CD-CD1 4.02Å; K60-F74 HydrophobicContact CD-CD2 3.85Å; K60-F74 HydrophobicContact CD-CE1 4.2Å; K60-F74 HydrophobicContact CD-CE2 4.03Å; K60-F74 HydrophobicContact CD-CG 3.84Å; K60-F74 HydrophobicContact CD-CZ 4.2Å; K60-F74 HydrophobicContact CG-CD2 4.4Å; K60-F74 HydrophobicContact CG-CE1 4.39Å; K60-F74 HydrophobicContact CG-CE2 4.07Å; K60-F74 HydrophobicContact CG-CZ 4.07Å
61	L	93.2	Very high	90.4	Very high	140 Å²	140	80.5 Å²	80.5	73%	0.733	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.4	-178.3	-60.4	177.7	0	0	0	113.2	R63 F74	L61-R63 PolarHBondContact O-N 3.19Å; L61-F74 HydrophobicContact CD1-CE1 3.78Å; L61-F74 HydrophobicContact CD1-CZ 3.97Å; L61-F74 HydrophobicContact CG-CZ 4.44Å
62	G	90.8	Very high	90.8	Very high	52 Å²	52	86.5 Å²	86.5	54%	0.536	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	3.6	179.2	0	0	0	0	0	115.4	Y59 K60	Y59-G62 WeakPolarHBondContact OH-CA 3.33Å; K60-G62 VanDerWaalsContact C-N 3.26Å; K60-G62 PolarHBondContact O-N 3.37Å
63	R	93.1	Very high	91.2	Very high	122 Å²	122	86.5 Å²	86.5	46%	0.46	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.7	-175.8	-62.3	-178.3	-178.4	-126	1.1	112.5	D44 Y59 K60 L61 L65	D44-R63 WeakPolarHBondContact OD2-CA 3.5Å; D44-R63 WeakPolarHBondContact OD2-CB 3.04Å; Y59-R63 WeakPolarHBondContact CA-O 3.5Å; Y59-R63 WeakPolarHBondContact CD2-O 3.26Å; K60-R63 PolarHBondContact N-O 3.22Å; K60-R63 VanDerWaalsContact N-O 3.13Å; K60-R63 PolarHBondContact O-N 3.05Å; L61-R63 PolarHBondContact O-N 3.19Å; R63-L65 HydrophobicContact CB-CD1 4.42Å; R63-L65 HydrophobicContact CB-CD2 4.35Å; R63-L65 HydrophobicContact CB-CG 4.16Å
64	K	94.4	Very high	92.1	Very high	32 Å²	32	81.8 Å²	81.8	14%	0.139	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.9	170.3	54.6	-179.4	-173.3	-51.3	0	109.7	I32 W36 L41 S42 D44 L50 L57	I32-K64 HydrophobicContact CD1-CB 4.08Å; W36-K64 HydrophobicContact CH2-CD 4.26Å; W36-K64 HydrophobicContact CZ3-CD 4.25Å; L41-K64 HydrophobicContact CD1-CD 4.2Å; S42-K64 VanDerWaalsContact O-CD 3.24Å; S42-K64 WeakPolarHBondContact O-CD 3.31Å; S42-K64 WeakPolarHBondContact O-CE 3.25Å; S42-K64 WeakPolarHBondContact O-CG 3.19Å; D44-K64 PolarHBondContact N-O 3.1Å; D44-K64 VanDerWaalsContact OD1-CG 3.26Å; D44-K64 WeakPolarHBondContact OD1-CG 3.49Å; D44-K64 IonicContact OD1-NZ 2.68Å; D44-K64 PolarHBondContact OD1-NZ 2.87Å; D44-K64 WeakPolarHBondContact OD2-CG 3.31Å; D44-K64 PolarHBondContact OD2-N 3.48Å; L50-K64 HydrophobicContact CD1-CB 4.31Å; L57-K64 HydrophobicContact CD1-CB 3.8Å
65	L	95.6	Very high	92.9	Very high	0 Å²	0	79 Å²	79	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.5	-169.7	-61.6	172.8	0	0	0	111.7	L45 Y58 R63 D69 Y70 L73 F74	L45-L65 HydrophobicContact CB-CD2 4.44Å; L45-L65 HydrophobicContact CD1-CD2 3.98Å; L45-L65 HydrophobicContact CG-CD2 3.8Å; Y58-L65 PolarHBondContact N-O 3.42Å; Y58-L65 PolarHBondContact O-N 2.86Å; R63-L65 HydrophobicContact CB-CD1 4.42Å; R63-L65 HydrophobicContact CB-CD2 4.35Å; R63-L65 HydrophobicContact CB-CG 4.16Å; L65-D69 HydrophobicContact CD2-CB 4.3Å; L65-Y70 HydrophobicContact CD1-CD2 4.43Å; L65-L73 HydrophobicContact CD1-CD1 3.85Å; L65-L73 HydrophobicContact CD2-CD1 4.5Å; L65-F74 HydrophobicContact CD1-CD2 4.3Å; L65-F74 HydrophobicContact CD1-CE2 3.69Å
66	C	94.9	Very high	93.2	Very high	12 Å²	12	83 Å²	83	8%	0.081	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	162.8	165.8	80.5	0	0	0	0	110.6	C43 L50 R68 D69 Y70	C43-C66 HydrophobicContact CB-CB 4.22Å; C43-C66 PolarHBondContact SG-N 2.87Å; C43-C66 VanDerWaalsContact SG-N 3.37Å; L50-C66 HydrophobicContact CD2-CB 3.71Å; C66-R68 VanDerWaalsContact C-N 3.25Å; C66-R68 PolarHBondContact O-N 3.13Å; C66-D69 PolarHBondContact O-N 3.36Å; C66-D69 VanDerWaalsContact SG-CG 3.56Å; C66-D69 PolarHBondContact SG-N 3.44Å; C66-D69 VanDerWaalsContact SG-N 3.38Å; C66-D69 PolarHBondContact SG-OD2 2.81Å; C66-Y70 VanDerWaalsContact O-CB 3.31Å; C66-Y70 WeakPolarHBondContact O-CB 3.02Å; C66-Y70 PolarHBondContact O-N 2.96Å
67	R	92.7	Very high	93.5	Very high	135 Å²	135	78.8 Å²	78.8	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-49.4	-45.2	177.1	-174.6	177	177	151.4	0.4	113.2	Y58 L71	Y58-R67 HydrophobicContact CD2-CB 4.43Å; Y58-R67 VanDerWaalsContact CE2-CA 3.43Å; Y58-R67 HydrophobicContact CE2-CB 3.66Å; Y58-R67 HydrophobicContact CE2-CG 3.99Å; R67-L71 HydrophobicContact CG-CD1 4.06Å; R67-L71 WeakPolarHBondContact O-CB 3.47Å; R67-L71 VanDerWaalsContact O-CG 3.31Å; R67-L71 WeakPolarHBondContact O-CG 3.37Å; R67-L71 PolarHBondContact O-N 2.8Å
68	R	93.4	Very high	93.5	Very high	148 Å²	148	77.5 Å²	77.5	56%	0.558	37%	0.366	S	S	*	.	H	α-helix	trans	-63.7	-48.9	-177.1	-173.7	-179.6	66.5	-177	-1.8	111.4	C66 L71 R72 Y90	C66-R68 VanDerWaalsContact C-N 3.25Å; C66-R68 PolarHBondContact O-N 3.13Å; R68-L71 PolarHBondContact O-N 3.04Å; R68-R72 WeakPolarHBondContact O-CB 3.3Å; R68-R72 PolarHBondContact O-N 3.21Å; R68-Y90 WeakPolarHBondContact O-CB 3.38Å
69	D	95.2	Very high	93.6	Very high	5 Å²	5	79.6 Å²	79.6	3%	0.027	38%	0.38	C	S	.	.	H	α-helix	trans	-74.4	-32.3	-177.6	-63.7	-33.3	0	0	0	112.2	C43 L45 C46 L65 C66 R72 L73	C43-D69 PolarHBondContact SG-OD2 2.81Å; L45-D69 HydrophobicContact CB-CB 4.22Å; L45-D69 HydrophobicContact CD1-CB 3.95Å; C46-D69 WeakPolarHBondContact CB-OD2 3.49Å; C46-D69 PolarHBondContact SG-OD2 3.01Å; L65-D69 HydrophobicContact CD2-CB 4.3Å; C66-D69 PolarHBondContact O-N 3.36Å; C66-D69 VanDerWaalsContact SG-CG 3.56Å; C66-D69 PolarHBondContact SG-N 3.44Å; C66-D69 VanDerWaalsContact SG-N 3.38Å; C66-D69 PolarHBondContact SG-OD2 2.81Å; D69-R72 WeakPolarHBondContact O-CB 3.25Å; D69-R72 PolarHBondContact O-N 2.8Å; D69-L73 PolarHBondContact O-N 2.98Å
70	Y	95.8	Very high	93.8	Very high	54 Å²	54	73.4 Å²	73.4	21%	0.212	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-49.5	170.2	179.3	-92.5	0	0	0	111.2	Y58 K60 L65 C66 R72 L73 F74	Y58-Y70 VanDerWaalsContact CB-CD2 3.42Å; Y58-Y70 AromaticContact CD1-CD1 3.72Å; Y58-Y70 HydrophobicContact CD1-CD1 3.72Å; Y58-Y70 AromaticContact CD1-CD2 3.95Å; Y58-Y70 HydrophobicContact CD1-CD2 3.95Å; Y58-Y70 AromaticContact CD1-CE1 3.94Å; Y58-Y70 HydrophobicContact CD1-CE1 3.94Å; Y58-Y70 HydrophobicContact CD1-CE2 4.14Å; Y58-Y70 AromaticContact CD1-CG 3.73Å; Y58-Y70 HydrophobicContact CD1-CG 3.73Å; Y58-Y70 HydrophobicContact CD2-CG 4.27Å; Y58-Y70 HydrophobicContact CE1-CD1 4.06Å; Y58-Y70 HydrophobicContact CE1-CE1 4.26Å; Y58-Y70 HydrophobicContact CE1-CG 4.46Å; Y58-Y70 HydrophobicContact CG-CD1 4.05Å; Y58-Y70 AromaticContact CG-CD2 3.84Å; Y58-Y70 HydrophobicContact CG-CD2 3.84Å; Y58-Y70 HydrophobicContact CG-CE2 4.45Å; Y58-Y70 AromaticContact CG-CG 3.62Å; Y58-Y70 HydrophobicContact CG-CG 3.62Å; K60-Y70 HydrophobicContact CB-CE2 4.03Å; K60-Y70 HydrophobicContact CD-CE2 3.82Å; L65-Y70 HydrophobicContact CD1-CD2 4.43Å; C66-Y70 VanDerWaalsContact O-CB 3.31Å; C66-Y70 WeakPolarHBondContact O-CB 3.02Å; C66-Y70 PolarHBondContact O-N 2.96Å; Y70-R72 VanDerWaalsContact C-N 3.3Å; Y70-R72 PolarHBondContact O-N 2.87Å; Y70-L73 PolarHBondContact O-N 2.92Å; Y70-F74 AromaticContact CD2-CD2 3.67Å; Y70-F74 HydrophobicContact CD2-CD2 3.67Å; Y70-F74 HydrophobicContact CD2-CE2 4.32Å; Y70-F74 HydrophobicContact CE1-CB 4.47Å; Y70-F74 HydrophobicContact CE2-CB 4.33Å; Y70-F74 AromaticContact CE2-CD2 3.7Å; Y70-F74 HydrophobicContact CE2-CD2 3.7Å; Y70-F74 HydrophobicContact CE2-CE2 4.46Å; Y70-F74 HydrophobicContact CE2-CG 4.36Å; Y70-F74 HydrophobicContact CG-CD2 4.35Å; Y70-F74 PolarHBondContact O-N 3.17Å
71	L	94.3	Very high	93.9	Very high	47 Å²	47	70.5 Å²	70.5	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-36.6	176.2	-71	172.3	0	0	0	111.6	R67 R68 L73 G75 A89	R67-L71 HydrophobicContact CG-CD1 4.06Å; R67-L71 WeakPolarHBondContact O-CB 3.47Å; R67-L71 VanDerWaalsContact O-CG 3.31Å; R67-L71 WeakPolarHBondContact O-CG 3.37Å; R67-L71 PolarHBondContact O-N 2.8Å; R68-L71 PolarHBondContact O-N 3.04Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.38Å; L71-G75 WeakPolarHBondContact O-CA 3.35Å; L71-G75 PolarHBondContact O-N 3.06Å; L71-A89 HydrophobicContact CB-CB 4.28Å; L71-A89 WeakPolarHBondContact O-CB 3.34Å
72	R	93.1	Very high	94	Very high	163 Å²	163	66.7 Å²	66.7	62%	0.615	33%	0.333	S	S	*	.	H	α-helix	trans	-60.6	-36.8	175.8	-176.7	177.7	178.6	171.9	2.3	113.5	R68 D69 Y70 Y90	R68-R72 WeakPolarHBondContact O-CB 3.3Å; R68-R72 PolarHBondContact O-N 3.21Å; D69-R72 WeakPolarHBondContact O-CB 3.25Å; D69-R72 PolarHBondContact O-N 2.8Å; Y70-R72 VanDerWaalsContact C-N 3.3Å; Y70-R72 PolarHBondContact O-N 2.87Å; R72-Y90 HydrophobicContact CB-CD1 3.71Å; R72-Y90 HydrophobicContact CB-CE1 4.35Å; R72-Y90 HydrophobicContact CB-CG 4.24Å; R72-Y90 HydrophobicContact CG-CD1 3.84Å; R72-Y90 HydrophobicContact CG-CE1 3.96Å
73	L	93.3	Very high	94.2	Very high	84 Å²	84	66.2 Å²	66.2	44%	0.44	32%	0.321	S	S	.	.	H	α-helix	trans	-91	-36.1	-178.6	-69.7	-179.6	0	0	0	113.7	L45 L65 D69 Y70 L71	L45-L73 HydrophobicContact CD1-CD1 3.64Å; L45-L73 HydrophobicContact CD1-CD2 4.46Å; L45-L73 HydrophobicContact CD1-CG 4.05Å; L65-L73 HydrophobicContact CD1-CD1 3.85Å; L65-L73 HydrophobicContact CD2-CD1 4.5Å; D69-L73 PolarHBondContact O-N 2.98Å; Y70-L73 PolarHBondContact O-N 2.92Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.38Å
74	F	93.6	Very high	94.3	Very high	57 Å²	57	66.1 Å²	66.1	25%	0.25	33%	0.329	C	S	.	.	H	α-helix	trans	-130.2	-1.9	-166.6	-52.3	-64.4	0	0	0	114.1	K60 L61 L65 Y70	K60-F74 HydrophobicContact CB-CD2 4.4Å; K60-F74 HydrophobicContact CB-CE2 3.95Å; K60-F74 HydrophobicContact CB-CZ 4.32Å; K60-F74 HydrophobicContact CD-CB 4.42Å; K60-F74 HydrophobicContact CD-CD1 4.02Å; K60-F74 HydrophobicContact CD-CD2 3.85Å; K60-F74 HydrophobicContact CD-CE1 4.2Å; K60-F74 HydrophobicContact CD-CE2 4.03Å; K60-F74 HydrophobicContact CD-CG 3.84Å; K60-F74 HydrophobicContact CD-CZ 4.2Å; K60-F74 HydrophobicContact CG-CD2 4.4Å; K60-F74 HydrophobicContact CG-CE1 4.39Å; K60-F74 HydrophobicContact CG-CE2 4.07Å; K60-F74 HydrophobicContact CG-CZ 4.07Å; L61-F74 HydrophobicContact CD1-CE1 3.78Å; L61-F74 HydrophobicContact CD1-CZ 3.97Å; L61-F74 HydrophobicContact CG-CZ 4.44Å; L65-F74 HydrophobicContact CD1-CD2 4.3Å; L65-F74 HydrophobicContact CD1-CE2 3.69Å; Y70-F74 AromaticContact CD2-CD2 3.67Å; Y70-F74 HydrophobicContact CD2-CD2 3.67Å; Y70-F74 HydrophobicContact CD2-CE2 4.32Å; Y70-F74 HydrophobicContact CE1-CB 4.47Å; Y70-F74 HydrophobicContact CE2-CB 4.33Å; Y70-F74 AromaticContact CE2-CD2 3.7Å; Y70-F74 HydrophobicContact CE2-CD2 3.7Å; Y70-F74 HydrophobicContact CE2-CE2 4.46Å; Y70-F74 HydrophobicContact CE2-CG 4.36Å; Y70-F74 HydrophobicContact CG-CD2 4.35Å; Y70-F74 PolarHBondContact O-N 3.17Å
75	G	91.5	Very high	94.4	Very high	23 Å²	23	71.4 Å²	71.4	24%	0.237	35%	0.353	C	S	.	.	S	Bend	trans	-73.5	156.9	175.9	0	0	0	0	0	111.5	L71 A89	L71-G75 WeakPolarHBondContact O-CA 3.35Å; L71-G75 PolarHBondContact O-N 3.06Å; G75-A89 VanDerWaalsContact C-CB 3.47Å; G75-A89 VanDerWaalsContact CA-CB 3.49Å
76	Q	91.1	Very high	94.4	Very high	186 Å²	186	80 Å²	80	87%	0.869	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-88.2	122.4	175	-65.8	177.2	0.8	0	0	109.1	A89	Q76-A89 WeakPolarHBondContact O-CB 3.36Å
77	D	93.6	Very high	94.5	Very high	65 Å²	65	79.7 Å²	79.7	35%	0.348	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-68.1	145.1	174.6	-74.8	-4.5	0	0	0	110.2	I87 R88 A89	D77-I87 CarbonylContact C-O 3.47Å; D77-I87 VanDerWaalsContact CA-O 3.3Å; D77-I87 WeakPolarHBondContact CA-O 3.37Å; D77-I87 WeakPolarHBondContact CB-O 3.49Å; D77-R88 WeakPolarHBondContact OD1-CA 3.46Å; D77-R88 WeakPolarHBondContact OD2-CD 3.47Å; D77-R88 IonicContact OD2-CZ 3.59Å; D77-R88 IonicContact OD2-NE 3.32Å; D77-R88 IonicContact OD2-NH1 3.41Å; D77-R88 PolarHBondContact OD2-NH1 3.17Å; D77-A89 PolarHBondContact OD1-N 3.41Å
78	G	92.6	Very high	94.5	Very high	31 Å²	31	78.8 Å²	78.8	32%	0.32	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	177.3	174.9	0	0	0	0	0	112.5	R86 I87	G78-R86 WeakPolarHBondContact O-CA 3.41Å; G78-I87 PolarHBondContact N-O 2.85Å; G78-I87 PolarHBondContact O-N 2.75Å
79	L	96.6	Very high	94.5	Very high	101 Å²	101	72.9 Å²	72.9	53%	0.529	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.8	171.5	-168.1	73.7	0	0	0	109.1	A81 D84 V100	L79-A81 PolarHBondContact O-N 3.07Å; L79-D84 WeakPolarHBondContact CD1-O 3.43Å; L79-V100 WeakPolarHBondContact O-CG1 3.43Å
80	C	97.2	Very high	94.2	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.379	C	S	.	.			trans	-73	123	178.1	-178.7	0	0	0	0	110.6	S82 C83 D84 K85 I87 V100 H102	C80-S82 PolarHBondContact O-N 2.83Å; C80-C83 VanDerWaalsContact CB-SG 3.51Å; C80-D84 VanDerWaalsContact O-CA 3.31Å; C80-D84 WeakPolarHBondContact O-CA 3.44Å; C80-D84 PolarHBondContact O-N 2.87Å; C80-K85 WeakPolarHBondContact CB-O 3.16Å; C80-K85 PolarHBondContact N-O 2.94Å; C80-I87 HydrophobicContact CB-CD1 3.86Å; C80-I87 HydrophobicContact CB-CG1 3.89Å; C80-V100 WeakPolarHBondContact CA-O 3.46Å; C80-H102 VanDerWaalsContact CB-ND1 3.33Å; C80-H102 WeakPolarHBondContact CB-ND1 3.35Å; C80-H102 PolarHBondContact SG-N 2.87Å; C80-H102 PolarHBondContact SG-ND1 2.94Å
81	A	96.3	Very high	94.1	Very high	24 Å²	24	77.8 Å²	77.8	20%	0.198	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.3	-177.4	0	0	0	0	0	114.6	L79 K99 V100 Y101 S126	L79-A81 PolarHBondContact O-N 3.07Å; A81-K99 HydrophobicContact CB-CB 3.98Å; A81-K99 HydrophobicContact CB-CD 4.01Å; A81-K99 HydrophobicContact CB-CG 4.23Å; A81-V100 PolarHBondContact N-O 3.43Å; A81-Y101 HydrophobicContact CB-CD1 4.28Å; A81-Y101 HydrophobicContact CB-CE1 3.69Å; A81-Y101 HydrophobicContact CB-CE2 4.31Å; A81-S126 WeakPolarHBondContact O-CB 3.47Å
82	S	95.3	Very high	94	Very high	60 Å²	60	82.9 Å²	82.9	42%	0.42	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-35.7	179.1	165.4	0	0	0	0	113.7	C80	C80-S82 PolarHBondContact O-N 2.83Å
83	C	95.5	Very high	94.1	Very high	41 Å²	41	77.6 Å²	77.6	28%	0.277	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-1.2	-175.9	72.9	0	0	0	0	114.1	C80 K85 H102 C105	C80-C83 VanDerWaalsContact CB-SG 3.51Å; C83-K85 PolarHBondContact O-N 2.92Å; C83-H102 PolarHBondContact SG-ND1 2.96Å; C83-C105 VanDerWaalsContact SG-SG 3.69Å
84	D	95.4	Very high	94.2	Very high	120 Å²	120	76.9 Å²	76.9	64%	0.642	39%	0.389	S	S	*	.			trans	53.9	19	-178	-63.2	-49.4	0	0	0	114.7	L79 C80	L79-D84 WeakPolarHBondContact CD1-O 3.43Å; C80-D84 VanDerWaalsContact O-CA 3.31Å; C80-D84 WeakPolarHBondContact O-CA 3.44Å; C80-D84 PolarHBondContact O-N 2.87Å
85	K	96.2	Very high	94.2	Very high	144 Å²	144	83.4 Å²	83.4	63%	0.626	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-92.3	152.7	174.3	-64.7	175	-175.8	176.2	0	110.6	C80 C83	C80-K85 WeakPolarHBondContact CB-O 3.16Å; C80-K85 PolarHBondContact N-O 2.94Å; C83-K85 PolarHBondContact O-N 2.92Å
86	R	95.8	Very high	94.3	Very high	181 Å²	181	82.9 Å²	82.9	68%	0.683	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.4	174.7	-67.1	-174.4	-176.8	-163.4	1.9	110.6	G78 H102	G78-R86 WeakPolarHBondContact O-CA 3.41Å; R86-H102 PolarHBondContact O-NE2 2.91Å
87	I	96.1	Very high	94.3	Very high	5 Å²	5	82 Å²	82	3%	0.026	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.2	170	-59.7	175.9	0	0	0	107	D77 G78 C80 E91 T93 V100 H102	D77-I87 CarbonylContact C-O 3.47Å; D77-I87 VanDerWaalsContact CA-O 3.3Å; D77-I87 WeakPolarHBondContact CA-O 3.37Å; D77-I87 WeakPolarHBondContact CB-O 3.49Å; G78-I87 PolarHBondContact N-O 2.85Å; G78-I87 PolarHBondContact O-N 2.75Å; C80-I87 HydrophobicContact CB-CD1 3.86Å; C80-I87 HydrophobicContact CB-CG1 3.89Å; I87-E91 HydrophobicContact CG2-CB 4.18Å; I87-T93 HydrophobicContact CD1-CG2 4.02Å; I87-T93 HydrophobicContact CG2-CG2 3.34Å; I87-V100 HydrophobicContact CD1-CB 4.31Å; I87-V100 HydrophobicContact CD1-CG1 3.68Å; I87-V100 HydrophobicContact CD1-CG2 3.91Å; I87-H102 WeakPolarHBondContact CG1-NE2 3.2Å
88	R	93.6	Very high	94.2	Very high	116 Å²	116	86.7 Å²	86.7	44%	0.438	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-71	143.4	176.5	-58.2	-57.9	-171.1	165.8	5.5	111	D77 Y90 E91	D77-R88 WeakPolarHBondContact OD1-CA 3.46Å; D77-R88 WeakPolarHBondContact OD2-CD 3.47Å; D77-R88 IonicContact OD2-CZ 3.59Å; D77-R88 IonicContact OD2-NE 3.32Å; D77-R88 IonicContact OD2-NH1 3.41Å; D77-R88 PolarHBondContact OD2-NH1 3.17Å; R88-Y90 HydrophobicContact CB-CD1 3.65Å; R88-Y90 HydrophobicContact CB-CE1 3.34Å; R88-Y90 HydrophobicContact CB-CG 4.47Å; R88-Y90 HydrophobicContact CG-CE1 3.8Å; R88-Y90 PolarHBondContact O-N 2.73Å; R88-E91 HydrophobicContact CB-CG 4.01Å; R88-E91 WeakPolarHBondContact CB-OE1 3.48Å; R88-E91 WeakPolarHBondContact CG-OE1 3.43Å; R88-E91 WeakPolarHBondContact O-CB 3.45Å; R88-E91 PolarHBondContact O-N 3.01Å
89	A	92.2	Very high	94.3	Very high	24 Å²	24	88.2 Å²	88.2	20%	0.198	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.4	-177.2	0	0	0	0	0	115.2	L71 G75 Q76 D77	L71-A89 HydrophobicContact CB-CB 4.28Å; L71-A89 WeakPolarHBondContact O-CB 3.34Å; G75-A89 VanDerWaalsContact C-CB 3.47Å; G75-A89 VanDerWaalsContact CA-CB 3.49Å; Q76-A89 WeakPolarHBondContact O-CB 3.36Å; D77-A89 PolarHBondContact OD1-N 3.41Å
90	Y	90.5	Very high	94.3	Very high	96 Å²	96	84.6 Å²	84.6	38%	0.376	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-10	177.2	69.9	-93.5	0	0	0	113.8	R68 R72 R88	R68-Y90 WeakPolarHBondContact O-CB 3.38Å; R72-Y90 HydrophobicContact CB-CD1 3.71Å; R72-Y90 HydrophobicContact CB-CE1 4.35Å; R72-Y90 HydrophobicContact CB-CG 4.24Å; R72-Y90 HydrophobicContact CG-CD1 3.84Å; R72-Y90 HydrophobicContact CG-CE1 3.96Å; R88-Y90 HydrophobicContact CB-CD1 3.65Å; R88-Y90 HydrophobicContact CB-CE1 3.34Å; R88-Y90 HydrophobicContact CB-CG 4.47Å; R88-Y90 HydrophobicContact CG-CE1 3.8Å; R88-Y90 PolarHBondContact O-N 2.73Å
91	E	93.3	Very high	94.2	Very high	66 Å²	66	84.7 Å²	84.7	31%	0.308	40%	0.402	S	S	.	.	S	Bend	trans	-73.9	148	179.8	-74.7	170.1	-152.6	0	0	111	I87 R88 H102	I87-E91 HydrophobicContact CG2-CB 4.18Å; R88-E91 HydrophobicContact CB-CG 4.01Å; R88-E91 WeakPolarHBondContact CB-OE1 3.48Å; R88-E91 WeakPolarHBondContact CG-OE1 3.43Å; R88-E91 WeakPolarHBondContact O-CB 3.45Å; R88-E91 PolarHBondContact O-N 3.01Å; E91-H102 IonicContact OE2-CD2 2.94Å; E91-H102 PolarHBondContact OE2-CD2 2.97Å; E91-H102 IonicContact OE2-NE2 3.07Å; E91-H102 PolarHBondContact OE2-NE2 3.49Å
92	M	92.4	Very high	94.3	Very high	153 Å²	153	85.1 Å²	85.1	75%	0.754	40%	0.4	S	S	*	.			trans	-74.8	140.7	170.1	-67.2	-178.3	178.5	0	0	109.4	L103	M92-L103 HydrophobicContact CB-CD1 3.69Å; M92-L103 HydrophobicContact CB-CD2 4.49Å; M92-L103 HydrophobicContact CB-CG 4.15Å
93	T	94.5	Very high	94.2	Very high	53 Å²	53	86.1 Å²	86.1	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.9	-175.1	54	0	0	0	0	110.9	I87 V100 Y101	I87-T93 HydrophobicContact CD1-CG2 4.02Å; I87-T93 HydrophobicContact CG2-CG2 3.34Å; T93-V100 HydrophobicContact CG2-CG2 3.81Å; T93-Y101 WeakPolarHBondContact CA-O 3.43Å; T93-Y101 WeakPolarHBondContact CB-O 3.37Å
94	M	95.1	Very high	94.2	Very high	69 Å²	69	91.7 Å²	91.7	34%	0.34	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.7	163.3	-69.1	-60.9	-157.4	0	0	109.1	V100 Y101 L103 F106	M94-V100 WeakPolarHBondContact O-CA 3.4Å; M94-Y101 PolarHBondContact N-O 2.84Å; M94-Y101 PolarHBondContact O-N 3.41Å; M94-L103 HydrophobicContact CE-CD2 4.38Å; M94-L103 HydrophobicContact CG-CD2 3.9Å; M94-L103 HydrophobicContact SD-CD2 4.31Å; M94-F106 HydrophobicContact CB-CB 3.99Å; M94-F106 HydrophobicContact CB-CD1 4.2Å; M94-F106 HydrophobicContact CB-CD2 3.48Å; M94-F106 VanDerWaalsContact CB-CD2 3.48Å; M94-F106 HydrophobicContact CB-CE2 3.98Å; M94-F106 HydrophobicContact CB-CG 3.62Å; M94-F106 HydrophobicContact CE-CD1 4.17Å; M94-F106 HydrophobicContact CE-CE1 4.47Å; M94-F106 HydrophobicContact CG-CB 3.75Å; M94-F106 HydrophobicContact CG-CD1 3.71Å; M94-F106 HydrophobicContact CG-CD2 3.93Å; M94-F106 HydrophobicContact CG-CE1 4.3Å; M94-F106 HydrophobicContact CG-CE2 4.49Å; M94-F106 HydrophobicContact CG-CG 3.5Å
95	R	94.4	Very high	94.2	Very high	194 Å²	194	87 Å²	87	73%	0.732	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.9	176.2	-174.1	177.5	-70.2	-175.5	-4	109.8	K97 K99	R95-K97 WeakPolarHBondContact CG-O 3.31Å; R95-K99 WeakPolarHBondContact CA-O 3.36Å
96	V	93.3	Very high	94.3	Very high	12 Å²	12	80.8 Å²	80.8	7%	0.073	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	113.7	174.3	-172.3	0	0	0	0	108	D98 K99 Y101 F106 Y121 L123	V96-D98 PolarHBondContact O-N 3.18Å; V96-K99 PolarHBondContact N-O 2.95Å; V96-K99 PolarHBondContact O-N 2.93Å; V96-Y101 HydrophobicContact CB-CE2 4.44Å; V96-Y101 HydrophobicContact CG2-CE2 4.46Å; V96-F106 HydrophobicContact CG2-CE2 3.49Å; V96-F106 VanDerWaalsContact CG2-CE2 3.49Å; V96-F106 HydrophobicContact CG2-CZ 4.07Å; V96-Y121 HydrophobicContact CG1-CE2 3.8Å; V96-Y121 HydrophobicContact CG2-CE2 4.08Å; V96-Y121 WeakPolarHBondContact CG2-OH 3.36Å; V96-L123 HydrophobicContact CB-CD2 4.46Å; V96-L123 HydrophobicContact CG1-CB 4.27Å; V96-L123 HydrophobicContact CG1-CD2 3.81Å; V96-L123 HydrophobicContact CG1-CG 4.45Å
97	K	91.1	Very high	94.3	Very high	166 Å²	166	75.4 Å²	75.4	72%	0.722	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-121.7	-168.4	-57	-177.7	179.2	177.1	0	109.7	R95 L123	R95-K97 WeakPolarHBondContact CG-O 3.31Å; K97-L123 HydrophobicContact CD-CD2 4.18Å; K97-L123 HydrophobicContact CG-CD2 4.49Å
98	D	92	Very high	94.3	Very high	165 Å²	165	75.1 Å²	75.1	88%	0.882	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.2	-179.8	-52.3	-58.3	0	0	0	113.6	V96	V96-D98 PolarHBondContact O-N 3.18Å
99	K	93.9	Very high	94.4	Very high	62 Å²	62	70.8 Å²	70.8	27%	0.27	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.4	-178.1	-63.1	-169.3	175.5	-170.1	0	111.4	A81 R95 V96 Y101 N125 S126	A81-K99 HydrophobicContact CB-CB 3.98Å; A81-K99 HydrophobicContact CB-CD 4.01Å; A81-K99 HydrophobicContact CB-CG 4.23Å; R95-K99 WeakPolarHBondContact CA-O 3.36Å; V96-K99 PolarHBondContact N-O 2.95Å; V96-K99 PolarHBondContact O-N 2.93Å; K99-Y101 HydrophobicContact CB-CD2 4.45Å; K99-Y101 HydrophobicContact CB-CE2 3.5Å; K99-Y101 VanDerWaalsContact CB-CE2 3.5Å; K99-Y101 WeakPolarHBondContact CD-OH 3.49Å; K99-N125 WeakPolarHBondContact CE-O 3.33Å; K99-N125 PolarHBondContact NZ-O 3.49Å; K99-S126 VanDerWaalsContact NZ-CA 3.28Å; K99-S126 VanDerWaalsContact NZ-N 3.18Å; K99-S126 PolarHBondContact NZ-OG 3.2Å
100	V	95.9	Very high	94.5	Very high	26 Å²	26	71.7 Å²	71.7	16%	0.158	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.1	177.7	71.1	0	0	0	0	109.9	L79 C80 A81 I87 T93 M94	L79-V100 WeakPolarHBondContact O-CG1 3.43Å; C80-V100 WeakPolarHBondContact CA-O 3.46Å; A81-V100 PolarHBondContact N-O 3.43Å; I87-V100 HydrophobicContact CD1-CB 4.31Å; I87-V100 HydrophobicContact CD1-CG1 3.68Å; I87-V100 HydrophobicContact CD1-CG2 3.91Å; T93-V100 HydrophobicContact CG2-CG2 3.81Å; M94-V100 WeakPolarHBondContact O-CA 3.4Å
101	Y	96.3	Very high	94.7	Very high	1 Å²	1	70 Å²	70	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.6	-175.7	-58.8	-98	0	0	0	109.4	A81 T93 M94 V96 K99 F106 S126 I128	A81-Y101 HydrophobicContact CB-CD1 4.28Å; A81-Y101 HydrophobicContact CB-CE1 3.69Å; A81-Y101 HydrophobicContact CB-CE2 4.31Å; T93-Y101 WeakPolarHBondContact CA-O 3.43Å; T93-Y101 WeakPolarHBondContact CB-O 3.37Å; M94-Y101 PolarHBondContact N-O 2.84Å; M94-Y101 PolarHBondContact O-N 3.41Å; V96-Y101 HydrophobicContact CB-CE2 4.44Å; V96-Y101 HydrophobicContact CG2-CE2 4.46Å; K99-Y101 HydrophobicContact CB-CD2 4.45Å; K99-Y101 HydrophobicContact CB-CE2 3.5Å; K99-Y101 VanDerWaalsContact CB-CE2 3.5Å; K99-Y101 WeakPolarHBondContact CD-OH 3.49Å; Y101-F106 HydrophobicContact CD2-CD2 4.36Å; Y101-F106 HydrophobicContact CG-CD2 4.35Å; Y101-S126 WeakPolarHBondContact CE1-O 3.37Å; Y101-S126 PolarHBondContact OH-O 3.4Å; Y101-I128 HydrophobicContact CD1-CD1 4.1Å; Y101-I128 HydrophobicContact CD2-CD1 4.18Å; Y101-I128 HydrophobicContact CE1-CD1 3.82Å; Y101-I128 HydrophobicContact CE2-CD1 3.92Å; Y101-I128 HydrophobicContact CG-CD1 4.28Å
102	H	96.9	Very high	94.8	Very high	33 Å²	33	71.5 Å²	71.5	15%	0.153	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	149.4	160.9	-65.4	107.6	0	0	0	109.4	C80 C83 R86 I87 E91 E104 C105 F106	C80-H102 VanDerWaalsContact CB-ND1 3.33Å; C80-H102 WeakPolarHBondContact CB-ND1 3.35Å; C80-H102 PolarHBondContact SG-N 2.87Å; C80-H102 PolarHBondContact SG-ND1 2.94Å; C83-H102 PolarHBondContact SG-ND1 2.96Å; R86-H102 PolarHBondContact O-NE2 2.91Å; I87-H102 WeakPolarHBondContact CG1-NE2 3.2Å; E91-H102 IonicContact OE2-CD2 2.94Å; E91-H102 PolarHBondContact OE2-CD2 2.97Å; E91-H102 IonicContact OE2-NE2 3.07Å; E91-H102 PolarHBondContact OE2-NE2 3.49Å; H102-E104 PolarHBondContact O-N 2.71Å; H102-C105 HydrophobicContact CB-CB 4.08Å; H102-C105 PolarHBondContact O-N 3.32Å; H102-F106 PolarHBondContact O-N 3.5Å; H102-F106 VanDerWaalsContact O-N 3.07Å
103	L	94.6	Very high	95	Very high	82 Å²	82	69.6 Å²	69.6	43%	0.429	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-54.6	-40.9	175.8	-65.9	-178.7	0	0	0	112	M92 M94 C105 F106	M92-L103 HydrophobicContact CB-CD1 3.69Å; M92-L103 HydrophobicContact CB-CD2 4.49Å; M92-L103 HydrophobicContact CB-CG 4.15Å; M94-L103 HydrophobicContact CE-CD2 4.38Å; M94-L103 HydrophobicContact CG-CD2 3.9Å; M94-L103 HydrophobicContact SD-CD2 4.31Å; L103-C105 VanDerWaalsContact C-N 3.3Å; L103-C105 PolarHBondContact O-N 3.07Å; L103-F106 PolarHBondContact O-N 3.23Å
104	E	94.9	Very high	95	Very high	158 Å²	158	72 Å²	72	74%	0.738	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-71.6	-24.2	178.6	-63.1	176	-175	0	0	113.3	H102 H114	H102-E104 PolarHBondContact O-N 2.71Å; E104-H114 PolarHBondContact O-CE1 3.41Å
105	C	96.3	Very high	95	Very high	21 Å²	21	69.9 Å²	69.9	14%	0.142	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-86.8	-11.3	176.1	-61.7	0	0	0	0	112.4	C83 H102 L103 K107	C83-C105 VanDerWaalsContact SG-SG 3.69Å; H102-C105 HydrophobicContact CB-CB 4.08Å; H102-C105 PolarHBondContact O-N 3.32Å; L103-C105 VanDerWaalsContact C-N 3.3Å; L103-C105 PolarHBondContact O-N 3.07Å; C105-K107 VanDerWaalsContact C-N 3.32Å; C105-K107 PolarHBondContact O-N 3.25Å
106	F	96.4	Very high	94.9	Very high	13 Å²	13	65.1 Å²	65.1	6%	0.057	34%	0.336	C	S	.	.			trans	-81.5	79.2	177.2	-163.7	-103.2	0	0	0	110.9	M94 V96 Y101 H102 L103 F115 Y121 I128	M94-F106 HydrophobicContact CB-CB 3.99Å; M94-F106 HydrophobicContact CB-CD1 4.2Å; M94-F106 HydrophobicContact CB-CD2 3.48Å; M94-F106 VanDerWaalsContact CB-CD2 3.48Å; M94-F106 HydrophobicContact CB-CE2 3.98Å; M94-F106 HydrophobicContact CB-CG 3.62Å; M94-F106 HydrophobicContact CE-CD1 4.17Å; M94-F106 HydrophobicContact CE-CE1 4.47Å; M94-F106 HydrophobicContact CG-CB 3.75Å; M94-F106 HydrophobicContact CG-CD1 3.71Å; M94-F106 HydrophobicContact CG-CD2 3.93Å; M94-F106 HydrophobicContact CG-CE1 4.3Å; M94-F106 HydrophobicContact CG-CE2 4.49Å; M94-F106 HydrophobicContact CG-CG 3.5Å; V96-F106 HydrophobicContact CG2-CE2 3.49Å; V96-F106 VanDerWaalsContact CG2-CE2 3.49Å; V96-F106 HydrophobicContact CG2-CZ 4.07Å; Y101-F106 HydrophobicContact CD2-CD2 4.36Å; Y101-F106 HydrophobicContact CG-CD2 4.35Å; H102-F106 PolarHBondContact O-N 3.5Å; H102-F106 VanDerWaalsContact O-N 3.07Å; L103-F106 PolarHBondContact O-N 3.23Å; F106-F115 HydrophobicContact CD1-CB 3.85Å; F106-F115 AromaticContact CD1-CD2 3.72Å; F106-F115 HydrophobicContact CD1-CD2 3.72Å; F106-F115 HydrophobicContact CD1-CG 4.21Å; F106-F115 HydrophobicContact CE1-CB 3.63Å; F106-F115 AromaticContact CE1-CD2 3.64Å; F106-F115 HydrophobicContact CE1-CD2 3.64Å; F106-F115 AromaticContact CE1-CG 3.89Å; F106-F115 HydrophobicContact CE1-CG 3.89Å; F106-F115 HydrophobicContact CG-CD2 4.43Å; F106-F115 HydrophobicContact CZ-CD2 4.27Å; F106-Y121 HydrophobicContact CZ-CD1 4.37Å; F106-Y121 AromaticContact CZ-CE1 3.91Å; F106-Y121 HydrophobicContact CZ-CE1 3.91Å; F106-I128 HydrophobicContact CD2-CD1 3.41Å; F106-I128 VanDerWaalsContact CD2-CD1 3.41Å; F106-I128 HydrophobicContact CE2-CD1 3.33Å; F106-I128 HydrophobicContact CE2-CG1 4.4Å; F106-I128 HydrophobicContact CG-CD1 4.46Å; F106-I128 HydrophobicContact CZ-CD1 4.33Å
107	K	96.6	Very high	94.9	Very high	68 Å²	68	71.8 Å²	71.8	30%	0.296	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-147.4	160.3	-176.5	54.8	175.8	173.1	162.8	0	111.2	C105 A109 Q112 K113	C105-K107 VanDerWaalsContact C-N 3.32Å; C105-K107 PolarHBondContact O-N 3.25Å; K107-A109 PolarHBondContact O-N 3.45Å; K107-Q112 VanDerWaalsContact CE-OE1 3.24Å; K107-K113 CarbonylContact C-O 3.53Å; K107-K113 VanDerWaalsContact CA-O 3.25Å; K107-K113 WeakPolarHBondContact CA-O 3.33Å; K107-K113 VanDerWaalsContact CB-O 3.32Å; K107-K113 WeakPolarHBondContact CB-O 3.2Å
108	C	96.5	Very high	95	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.377	C	S	.	.			trans	-61.8	127.7	179.7	-174.7	0	0	0	0	110.7	A110 C111 Q112 K113 F115 I128 C130 D133	C108-A110 PolarHBondContact O-N 2.91Å; C108-A110 PolarHBondContact SG-N 2.82Å; C108-A110 VanDerWaalsContact SG-N 3.44Å; C108-C111 WeakPolarHBondContact CB-SG 3.41Å; C108-C111 VanDerWaalsContact SG-SG 3.68Å; C108-Q112 WeakPolarHBondContact O-CA 3.38Å; C108-Q112 PolarHBondContact O-N 2.97Å; C108-Q112 PolarHBondContact O-NE2 3.28Å; C108-K113 PolarHBondContact N-O 2.8Å; C108-F115 HydrophobicContact CB-CE2 4.49Å; C108-F115 HydrophobicContact CB-CZ 4.03Å; C108-I128 CarbonylContact C-O 3.57Å; C108-I128 VanDerWaalsContact CA-O 3.26Å; C108-I128 WeakPolarHBondContact CA-O 3.39Å; C108-C130 HydrophobicContact CB-CB 4.23Å; C108-C130 PolarHBondContact SG-N 3.45Å; C108-C130 VanDerWaalsContact SG-SG 3.69Å; C108-D133 PolarHBondContact SG-OD2 3.01Å
109	A	94.9	Very high	95.1	Very high	24 Å²	24	62.4 Å²	62.4	20%	0.198	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.8	176.7	0	0	0	0	0	112.4	K107 Q112 D127 I128 W137	K107-A109 PolarHBondContact O-N 3.45Å; A109-Q112 PolarHBondContact O-NE2 3.22Å; A109-D127 HydrophobicContact CB-CB 3.93Å; A109-I128 PolarHBondContact N-O 2.99Å; A109-W137 HydrophobicContact CB-CH2 3.58Å; A109-W137 HydrophobicContact CB-CZ2 4.03Å; A109-W137 HydrophobicContact CB-CZ3 4.04Å
110	A	94.2	Very high	95.2	Very high	43 Å²	43	67.6 Å²	67.6	36%	0.355	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-71	177.7	0	0	0	0	0	112.1	C108 D133 W137	C108-A110 PolarHBondContact O-N 2.91Å; C108-A110 PolarHBondContact SG-N 2.82Å; C108-A110 VanDerWaalsContact SG-N 3.44Å; A110-D133 HydrophobicContact CB-CB 3.71Å; A110-D133 WeakPolarHBondContact CB-OD2 3.41Å; A110-W137 HydrophobicContact CB-CE3 3.68Å; A110-W137 HydrophobicContact CB-CZ3 4.06Å
111	C	95.4	Very high	95.1	Very high	62 Å²	62	70.7 Å²	70.7	42%	0.419	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.6	-175	66.1	0	0	0	0	115.8	C108 K113 D133	C108-C111 WeakPolarHBondContact CB-SG 3.41Å; C108-C111 VanDerWaalsContact SG-SG 3.68Å; C111-K113 PolarHBondContact O-N 3.12Å; C111-K113 VanDerWaalsContact SG-CB 3.52Å; C111-D133 WeakPolarHBondContact CB-OD2 3.15Å; C111-D133 PolarHBondContact N-OD2 3.04Å; C111-D133 PolarHBondContact SG-OD2 2.81Å
112	Q	95.9	Very high	95.1	Very high	96 Å²	96	74.2 Å²	74.2	45%	0.449	40%	0.397	S	S	.	.			trans	61.6	10.3	-178.2	-57.8	-64.9	-52.6	0	0	115.4	K107 C108 A109	K107-Q112 VanDerWaalsContact CE-OE1 3.24Å; C108-Q112 WeakPolarHBondContact O-CA 3.38Å; C108-Q112 PolarHBondContact O-N 2.97Å; C108-Q112 PolarHBondContact O-NE2 3.28Å; A109-Q112 PolarHBondContact O-NE2 3.22Å
113	K	95.4	Very high	94.9	Very high	114 Å²	114	74.4 Å²	74.4	50%	0.496	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-69.8	133.2	177.1	-176.2	-176.9	172	-171.8	0	111.6	K107 C108 C111	K107-K113 CarbonylContact C-O 3.53Å; K107-K113 VanDerWaalsContact CA-O 3.25Å; K107-K113 WeakPolarHBondContact CA-O 3.33Å; K107-K113 VanDerWaalsContact CB-O 3.32Å; K107-K113 WeakPolarHBondContact CB-O 3.2Å; C108-K113 PolarHBondContact N-O 2.8Å; C111-K113 PolarHBondContact O-N 3.12Å; C111-K113 VanDerWaalsContact SG-CB 3.52Å
114	H	95.1	Very high	94.8	Very high	104 Å²	104	71.1 Å²	71.1	48%	0.481	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-71.6	143.3	171.1	-70	-85.6	0	0	0	111.7	E104	E104-H114 PolarHBondContact O-CE1 3.41Å
115	F	94.6	Very high	94.5	Very high	24 Å²	24	69.2 Å²	69.2	11%	0.105	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-87.1	139.7	178.3	-63.5	-76.5	0	0	0	112.1	F106 C108 D119 I128 C130	F106-F115 HydrophobicContact CD1-CB 3.85Å; F106-F115 AromaticContact CD1-CD2 3.72Å; F106-F115 HydrophobicContact CD1-CD2 3.72Å; F106-F115 HydrophobicContact CD1-CG 4.21Å; F106-F115 HydrophobicContact CE1-CB 3.63Å; F106-F115 AromaticContact CE1-CD2 3.64Å; F106-F115 HydrophobicContact CE1-CD2 3.64Å; F106-F115 AromaticContact CE1-CG 3.89Å; F106-F115 HydrophobicContact CE1-CG 3.89Å; F106-F115 HydrophobicContact CG-CD2 4.43Å; F106-F115 HydrophobicContact CZ-CD2 4.27Å; C108-F115 HydrophobicContact CB-CE2 4.49Å; C108-F115 HydrophobicContact CB-CZ 4.03Å; F115-D119 WeakPolarHBondContact CA-OD2 3.26Å; F115-D119 HydrophobicContact CB-CB 4.36Å; F115-D119 HydrophobicContact CD1-CB 3.87Å; F115-I128 HydrophobicContact CD2-CG2 4.29Å; F115-I128 HydrophobicContact CE2-CB 4.2Å; F115-I128 HydrophobicContact CE2-CG2 3.39Å; F115-I128 HydrophobicContact CZ-CG2 3.65Å; F115-C130 HydrophobicContact CE1-CB 3.62Å; F115-C130 HydrophobicContact CZ-CB 4.05Å
116	C	92.7	Very high	94.3	Very high	93 Å²	93	70.1 Å²	70.1	63%	0.628	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-99.2	165.1	168.5	-72.7	0	0	0	0	111.1	G118 D119	C116-G118 PolarHBondContact O-N 3.09Å; C116-D119 PolarHBondContact N-OD2 2.84Å; C116-D119 WeakPolarHBondContact O-CB 3.25Å; C116-D119 PolarHBondContact O-N 2.97Å; C116-D119 VanDerWaalsContact O-N 3.09Å
117	V	92.7	Very high	94.1	Very high	153 Å²	153	72.8 Å²	72.8	93%	0.927	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	125.7	173.7	179.3	0	0	0	0	109.4
118	G	92.9	Very high	94	Very high	71 Å²	71	69.8 Å²	69.8	73%	0.732	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-11.2	-178.2	0	0	0	0	0	114.7	C116	C116-G118 PolarHBondContact O-N 3.09Å
119	D	94.5	Very high	94	Very high	62 Å²	62	69.8 Å²	69.8	33%	0.332	39%	0.385	S	S	.	.			trans	-66.5	140.2	176.7	-74	-13.3	0	0	0	111.8	F115 C116	F115-D119 WeakPolarHBondContact CA-OD2 3.26Å; F115-D119 HydrophobicContact CB-CB 4.36Å; F115-D119 HydrophobicContact CD1-CB 3.87Å; C116-D119 PolarHBondContact N-OD2 2.84Å; C116-D119 WeakPolarHBondContact O-CB 3.25Å; C116-D119 PolarHBondContact O-N 2.97Å; C116-D119 VanDerWaalsContact O-N 3.09Å
120	R	95.3	Very high	94.1	Very high	172 Å²	172	69.1 Å²	69.1	65%	0.649	38%	0.379	S	S	*	.			trans	-92.8	134.6	179.2	-62.6	167.8	74.3	117.3	6.2	110	E131	R120-E131 HydrophobicContact CB-CB 4.09Å; R120-E131 WeakPolarHBondContact CD-OE2 3.4Å; R120-E131 IonicContact CZ-OE1 3.6Å; R120-E131 IonicContact NE-OE1 2.84Å; R120-E131 PolarHBondContact NE-OE1 2.97Å; R120-E131 IonicContact NE-OE2 3.59Å; R120-E131 IonicContact NH2-OE1 3.74Å; R120-E131 PolarHBondContact O-N 3.31Å; R120-E131 VanDerWaalsContact O-N 3.12Å
121	Y	95.6	Very high	94.1	Very high	91 Å²	91	72.2 Å²	72.2	36%	0.357	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	163.2	-179.5	64.1	-95.8	0	0	0	111.1	V96 F106 I128 V129	V96-Y121 HydrophobicContact CG1-CE2 3.8Å; V96-Y121 HydrophobicContact CG2-CE2 4.08Å; V96-Y121 WeakPolarHBondContact CG2-OH 3.36Å; F106-Y121 HydrophobicContact CZ-CD1 4.37Å; F106-Y121 AromaticContact CZ-CE1 3.91Å; F106-Y121 HydrophobicContact CZ-CE1 3.91Å; Y121-I128 HydrophobicContact CD2-CG2 3.57Å; Y121-I128 HydrophobicContact CE2-CG2 4.33Å; Y121-I128 HydrophobicContact CG-CG2 3.75Å; Y121-V129 CarbonylContact C-O 3.58Å; Y121-V129 WeakPolarHBondContact CA-O 3.39Å; Y121-V129 WeakPolarHBondContact CB-O 3.33Å
122	L	94.7	Very high	94.1	Very high	74 Å²	74	76.9 Å²	76.9	39%	0.387	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.7	172.6	-160.1	148.5	0	0	0	109.4	I124 V129 I134	L122-I124 HydrophobicContact CD2-CD1 3.85Å; L122-I124 HydrophobicContact CD2-CG1 3.22Å; L122-V129 PolarHBondContact N-O 3.44Å; L122-V129 PolarHBondContact O-N 3.23Å; L122-I134 HydrophobicContact CB-CD1 3.7Å; L122-I134 HydrophobicContact CB-CG1 4.1Å; L122-I134 HydrophobicContact CD1-CD1 4.04Å; L122-I134 HydrophobicContact CD1-CG2 4.29Å
123	L	93.9	Very high	94	Very high	37 Å²	37	73.8 Å²	73.8	19%	0.194	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.3	175.5	179	71.6	0	0	0	109.5	V96 K97 I128	V96-L123 HydrophobicContact CB-CD2 4.46Å; V96-L123 HydrophobicContact CG1-CB 4.27Å; V96-L123 HydrophobicContact CG1-CD2 3.81Å; V96-L123 HydrophobicContact CG1-CG 4.45Å; K97-L123 HydrophobicContact CD-CD2 4.18Å; K97-L123 HydrophobicContact CG-CD2 4.49Å; L123-I128 HydrophobicContact CD1-CG1 3.89Å
124	I	91.2	Very high	93.9	Very high	14 Å²	14	70.4 Å²	70.4	7%	0.072	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.2	175.9	-57.1	175.1	0	0	0	107.3	L122 S126 D127 V129 W137 T138 M143	L122-I124 HydrophobicContact CD2-CD1 3.85Å; L122-I124 HydrophobicContact CD2-CG1 3.22Å; I124-S126 PolarHBondContact O-N 2.82Å; I124-D127 PolarHBondContact N-O 3.04Å; I124-D127 PolarHBondContact O-N 3.35Å; I124-V129 HydrophobicContact CD1-CG2 4.46Å; I124-W137 VanDerWaalsContact CD1-CD1 3.44Å; I124-T138 HydrophobicContact CD1-CG2 3.97Å; I124-M143 HydrophobicContact CD1-SD 4.43Å; I124-M143 HydrophobicContact CG2-CE 3.45Å; I124-M143 VanDerWaalsContact CG2-CE 3.45Å; I124-M143 HydrophobicContact CG2-SD 3.41Å; I124-M143 WeakPolarHBondContact CG2-SD 3.47Å
125	N	88.9	Confident	93.7	Very high	118 Å²	118	73.1 Å²	73.1	63%	0.631	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-112.3	-169.6	-58.5	-41	0	0	0	110.7	K99	K99-N125 WeakPolarHBondContact CE-O 3.33Å; K99-N125 PolarHBondContact NZ-O 3.49Å
126	S	92.1	Very high	93.5	Very high	39 Å²	39	78.1 Å²	78.1	27%	0.273	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-10.1	175.1	-67.3	0	0	0	0	113.4	A81 K99 Y101 I124	A81-S126 WeakPolarHBondContact O-CB 3.47Å; K99-S126 VanDerWaalsContact NZ-CA 3.28Å; K99-S126 VanDerWaalsContact NZ-N 3.18Å; K99-S126 PolarHBondContact NZ-OG 3.2Å; Y101-S126 WeakPolarHBondContact CE1-O 3.37Å; Y101-S126 PolarHBondContact OH-O 3.4Å; I124-S126 PolarHBondContact O-N 2.82Å
127	D	93.1	Very high	93.4	Very high	69 Å²	69	75.9 Å²	75.9	37%	0.369	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.7	-173.8	-61.4	-46.2	0	0	0	110.4	A109 I124 W137	A109-D127 HydrophobicContact CB-CB 3.93Å; I124-D127 PolarHBondContact N-O 3.04Å; I124-D127 PolarHBondContact O-N 3.35Å; D127-W137 HydrophobicContact CB-CZ2 4.09Å
128	I	94.8	Very high	93.2	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	178.3	-58.4	156.6	0	0	0	106.8	Y101 F106 C108 A109 F115 Y121 L123	Y101-I128 HydrophobicContact CD1-CD1 4.1Å; Y101-I128 HydrophobicContact CD2-CD1 4.18Å; Y101-I128 HydrophobicContact CE1-CD1 3.82Å; Y101-I128 HydrophobicContact CE2-CD1 3.92Å; Y101-I128 HydrophobicContact CG-CD1 4.28Å; F106-I128 HydrophobicContact CD2-CD1 3.41Å; F106-I128 VanDerWaalsContact CD2-CD1 3.41Å; F106-I128 HydrophobicContact CE2-CD1 3.33Å; F106-I128 HydrophobicContact CE2-CG1 4.4Å; F106-I128 HydrophobicContact CG-CD1 4.46Å; F106-I128 HydrophobicContact CZ-CD1 4.33Å; C108-I128 CarbonylContact C-O 3.57Å; C108-I128 VanDerWaalsContact CA-O 3.26Å; C108-I128 WeakPolarHBondContact CA-O 3.39Å; A109-I128 PolarHBondContact N-O 2.99Å; F115-I128 HydrophobicContact CD2-CG2 4.29Å; F115-I128 HydrophobicContact CE2-CB 4.2Å; F115-I128 HydrophobicContact CE2-CG2 3.39Å; F115-I128 HydrophobicContact CZ-CG2 3.65Å; Y121-I128 HydrophobicContact CD2-CG2 3.57Å; Y121-I128 HydrophobicContact CE2-CG2 4.33Å; Y121-I128 HydrophobicContact CG-CG2 3.75Å; L123-I128 HydrophobicContact CD1-CG1 3.89Å
129	V	95.8	Very high	93	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.4	-176.4	-174	0	0	0	0	108.8	Y121 L122 I124 D133 I134 W137	Y121-V129 CarbonylContact C-O 3.58Å; Y121-V129 WeakPolarHBondContact CA-O 3.39Å; Y121-V129 WeakPolarHBondContact CB-O 3.33Å; L122-V129 PolarHBondContact N-O 3.44Å; L122-V129 PolarHBondContact O-N 3.23Å; I124-V129 HydrophobicContact CD1-CG2 4.46Å; V129-D133 HydrophobicContact CG1-CB 3.79Å; V129-I134 HydrophobicContact CG1-CG1 4.4Å; V129-W137 HydrophobicContact CG1-CB 3.94Å; V129-W137 HydrophobicContact CG1-CG 4.09Å; V129-W137 HydrophobicContact CG2-CD2 3.79Å; V129-W137 HydrophobicContact CG2-CG 3.78Å; V129-W137 HydrophobicContact CG2-CZ2 4.42Å
130	C	96.4	Very high	92.6	Very high	11 Å²	11	76.1 Å²	76.1	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	154.7	179	71.4	0	0	0	0	110.9	C108 F115 Q132 D133 I134	C108-C130 HydrophobicContact CB-CB 4.23Å; C108-C130 PolarHBondContact SG-N 3.45Å; C108-C130 VanDerWaalsContact SG-SG 3.69Å; F115-C130 HydrophobicContact CE1-CB 3.62Å; F115-C130 HydrophobicContact CZ-CB 4.05Å; C130-Q132 PolarHBondContact O-N 3.44Å; C130-D133 PolarHBondContact O-N 3.44Å; C130-D133 PolarHBondContact SG-OD2 3.37Å; C130-I134 WeakPolarHBondContact O-CG1 2.99Å; C130-I134 PolarHBondContact O-N 3.43Å
131	E	95.4	Very high	92	Very high	108 Å²	108	71.9 Å²	71.9	51%	0.505	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-34.5	-177.9	-171.4	170.3	-125.3	0	0	114.1	R120 I134	R120-E131 HydrophobicContact CB-CB 4.09Å; R120-E131 WeakPolarHBondContact CD-OE2 3.4Å; R120-E131 IonicContact CZ-OE1 3.6Å; R120-E131 IonicContact NE-OE1 2.84Å; R120-E131 PolarHBondContact NE-OE1 2.97Å; R120-E131 IonicContact NE-OE2 3.59Å; R120-E131 IonicContact NH2-OE1 3.74Å; R120-E131 PolarHBondContact O-N 3.31Å; R120-E131 VanDerWaalsContact O-N 3.12Å; E131-I134 HydrophobicContact CB-CD1 4.49Å
132	Q	95.1	Very high	90.8	Very high	159 Å²	159	70.6 Å²	70.6	74%	0.743	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.4	179.6	-66.2	176.7	-15.8	0	0	113	C130	C130-Q132 PolarHBondContact O-N 3.44Å
133	D	94.9	Very high	89.3	Confident	31 Å²	31	71.9 Å²	71.9	17%	0.166	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.5	-173.6	-62.5	-23.4	0	0	0	112.8	C108 A110 C111 V129 C130 Y135 E136 W137	C108-D133 PolarHBondContact SG-OD2 3.01Å; A110-D133 HydrophobicContact CB-CB 3.71Å; A110-D133 WeakPolarHBondContact CB-OD2 3.41Å; C111-D133 WeakPolarHBondContact CB-OD2 3.15Å; C111-D133 PolarHBondContact N-OD2 3.04Å; C111-D133 PolarHBondContact SG-OD2 2.81Å; V129-D133 HydrophobicContact CG1-CB 3.79Å; C130-D133 PolarHBondContact O-N 3.44Å; C130-D133 PolarHBondContact SG-OD2 3.37Å; D133-Y135 VanDerWaalsContact C-N 3.35Å; D133-Y135 PolarHBondContact O-N 2.68Å; D133-E136 PolarHBondContact O-N 3.33Å; D133-W137 WeakPolarHBondContact O-CB 3.35Å; D133-W137 PolarHBondContact O-N 3.1Å
134	I	92.9	Very high	87.6	Confident	43 Å²	43	77.8 Å²	77.8	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-56.2	-47.8	-175.1	-67.1	176.2	0	0	0	111.5	L122 V129 C130 E131 W137 T138	L122-I134 HydrophobicContact CB-CD1 3.7Å; L122-I134 HydrophobicContact CB-CG1 4.1Å; L122-I134 HydrophobicContact CD1-CD1 4.04Å; L122-I134 HydrophobicContact CD1-CG2 4.29Å; V129-I134 HydrophobicContact CG1-CG1 4.4Å; C130-I134 WeakPolarHBondContact O-CG1 2.99Å; C130-I134 PolarHBondContact O-N 3.43Å; E131-I134 HydrophobicContact CB-CD1 4.49Å; I134-W137 PolarHBondContact O-N 3.33Å; I134-T138 HydrophobicContact CG2-CG2 4.25Å; I134-T138 WeakPolarHBondContact O-CB 3.46Å; I134-T138 WeakPolarHBondContact O-CG2 3.32Å; I134-T138 PolarHBondContact O-N 3.49Å; I134-T138 PolarHBondContact O-OG1 3.28Å
135	Y	90.8	Very high	87.4	Confident	161 Å²	161	81 Å²	81	63%	0.631	41%	0.412	S	S	*	.	H	α-helix	trans	-64.4	-48.1	-173.4	177.6	-102.4	0	0	0	112	D133 T138 K139	D133-Y135 VanDerWaalsContact C-N 3.35Å; D133-Y135 PolarHBondContact O-N 2.68Å; Y135-T138 PolarHBondContact O-OG1 2.87Å; Y135-T138 VanDerWaalsContact O-OG1 3.1Å; Y135-K139 WeakPolarHBondContact O-CB 3.1Å; Y135-K139 PolarHBondContact O-N 3.05Å
136	E	90.5	Very high	87.3	Confident	130 Å²	130	79.1 Å²	79.1	61%	0.607	40%	0.401	S	S	*	.	H	α-helix	trans	-67.8	-41.5	179	-62.7	-168.1	158.4	0	0	111.3	D133 T138 K139 I140	D133-E136 PolarHBondContact O-N 3.33Å; E136-T138 PolarHBondContact O-N 3.31Å; E136-K139 PolarHBondContact O-N 2.88Å; E136-I140 VanDerWaalsContact O-CG1 3.3Å; E136-I140 WeakPolarHBondContact O-CG1 3.3Å; E136-I140 PolarHBondContact O-N 2.98Å
137	W	89.3	Confident	87	Confident	46 Å²	46	81.3 Å²	81.3	17%	0.174	41%	0.408	C	S	.	.	H	α-helix	trans	-60.7	-45.7	179.1	-177.1	-88.1	0	0	0	112.6	A109 A110 I124 D127 V129 D133 I134 I140 N141	A109-W137 HydrophobicContact CB-CH2 3.58Å; A109-W137 HydrophobicContact CB-CZ2 4.03Å; A109-W137 HydrophobicContact CB-CZ3 4.04Å; A110-W137 HydrophobicContact CB-CE3 3.68Å; A110-W137 HydrophobicContact CB-CZ3 4.06Å; I124-W137 VanDerWaalsContact CD1-CD1 3.44Å; D127-W137 HydrophobicContact CB-CZ2 4.09Å; V129-W137 HydrophobicContact CG1-CB 3.94Å; V129-W137 HydrophobicContact CG1-CG 4.09Å; V129-W137 HydrophobicContact CG2-CD2 3.79Å; V129-W137 HydrophobicContact CG2-CG 3.78Å; V129-W137 HydrophobicContact CG2-CZ2 4.42Å; D133-W137 WeakPolarHBondContact O-CB 3.35Å; D133-W137 PolarHBondContact O-N 3.1Å; I134-W137 PolarHBondContact O-N 3.33Å; W137-I140 PolarHBondContact O-N 3.3Å; W137-N141 VanDerWaalsContact CE2-ND2 3.27Å; W137-N141 PolarHBondContact NE1-ND2 2.96Å; W137-N141 WeakPolarHBondContact O-CB 3.45Å; W137-N141 PolarHBondContact O-N 3.05Å; W137-N141 PolarHBondContact O-ND2 3Å
138	T	88.4	Confident	86.7	Confident	16 Å²	16	82 Å²	82	10%	0.098	41%	0.41	C	S	.	.	H	α-helix	trans	-70.1	-35.1	-178.1	47.1	0	0	0	0	112.2	I124 I134 Y135 E136 G142 M143 I144	I124-T138 HydrophobicContact CD1-CG2 3.97Å; I134-T138 HydrophobicContact CG2-CG2 4.25Å; I134-T138 WeakPolarHBondContact O-CB 3.46Å; I134-T138 WeakPolarHBondContact O-CG2 3.32Å; I134-T138 PolarHBondContact O-N 3.49Å; I134-T138 PolarHBondContact O-OG1 3.28Å; Y135-T138 PolarHBondContact O-OG1 2.87Å; Y135-T138 VanDerWaalsContact O-OG1 3.1Å; E136-T138 PolarHBondContact O-N 3.31Å; T138-G142 PolarHBondContact O-N 3.47Å; T138-M143 PolarHBondContact O-N 3.33Å; T138-I144 VanDerWaalsContact CB-CG1 3.48Å; T138-I144 WeakPolarHBondContact OG1-CD1 3.19Å
139	K	88.7	Confident	86.2	Confident	137 Å²	137	86.8 Å²	86.8	60%	0.596	43%	0.434	S	S	*	.	H	α-helix	trans	-64.9	-43.8	172.5	-175.3	-178.8	178.8	-176.7	0	112.6	Y135 E136	Y135-K139 WeakPolarHBondContact O-CB 3.1Å; Y135-K139 PolarHBondContact O-N 3.05Å; E136-K139 PolarHBondContact O-N 2.88Å
140	I	85.8	Confident	85.5	Confident	137 Å²	137	92.6 Å²	92.6	70%	0.703	46%	0.463	S	S	*	.	H	α-helix	trans	-69.3	-38.4	-179.4	-68.8	166.2	0	0	0	111.3	E136 W137 G142	E136-I140 VanDerWaalsContact O-CG1 3.3Å; E136-I140 WeakPolarHBondContact O-CG1 3.3Å; E136-I140 PolarHBondContact O-N 2.98Å; W137-I140 PolarHBondContact O-N 3.3Å; I140-G142 VanDerWaalsContact C-N 3.28Å; I140-G142 PolarHBondContact O-N 3.04Å
141	N	83.8	Confident	84.7	Confident	83 Å²	83	98.4 Å²	98.4	44%	0.444	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.2	-178.1	-67.6	-72.8	0	0	0	113.7	W137 M143	W137-N141 VanDerWaalsContact CE2-ND2 3.27Å; W137-N141 PolarHBondContact NE1-ND2 2.96Å; W137-N141 WeakPolarHBondContact O-CB 3.45Å; W137-N141 PolarHBondContact O-N 3.05Å; W137-N141 PolarHBondContact O-ND2 3Å; N141-M143 VanDerWaalsContact C-N 3.3Å; N141-M143 PolarHBondContact O-N 3.21Å
142	G	69.5	Low	83.9	Confident	64 Å²	64	97.7 Å²	97.7	66%	0.66	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	29.3	173.1	0	0	0	0	0	114.7	T138 I140	T138-G142 PolarHBondContact O-N 3.47Å; I140-G142 VanDerWaalsContact C-N 3.28Å; I140-G142 PolarHBondContact O-N 3.04Å
143	M	65.1	Low	83	Confident	101 Å²	101	92.6 Å²	92.6	50%	0.498	47%	0.469	S	S	.	.			trans	-92.2	-4.2	176.2	-66.4	-165.4	165	0	0	113.1	I124 T138 N141	I124-M143 HydrophobicContact CD1-SD 4.43Å; I124-M143 HydrophobicContact CG2-CE 3.45Å; I124-M143 VanDerWaalsContact CG2-CE 3.45Å; I124-M143 HydrophobicContact CG2-SD 3.41Å; I124-M143 WeakPolarHBondContact CG2-SD 3.47Å; T138-M143 PolarHBondContact O-N 3.33Å; N141-M143 VanDerWaalsContact C-N 3.3Å; N141-M143 PolarHBondContact O-N 3.21Å
144	I	56.3	Low	81.9	Confident	162 Å²	162	98.2 Å²	98.2	83%	0.831	50%	0.497	S	S	*	.			trans	-147.4	0	169.7	9.9	168.8	0	0	0	109.6	T138	T138-I144 VanDerWaalsContact CB-CG1 3.48Å; T138-I144 WeakPolarHBondContact OG1-CD1 3.19Å

Retrieved 144 of 144 residues in 98.6 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).