A0A077ZGS8_TRITR Loading...

Methylmalonyl-CoA epimerase, mitochondrial

Methylmalonyl-CoA epimerase involved in propionyl-CoA metabolism.

AlphaFold DB , UniProt , Accession A0A077ZGS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	46.2	Very low	243 Å²	243	145 Å²	145	100%	1.197	76%	0.762	S	S	*	*				0	87.8	0	-164.4	177.5	-162.9	0	107.5
2	V	46.4	Very low	46.8	Very low	132 Å²	132	135.8 Å²	135.8	80%	0.8	72%	0.723	S	S	*	*			trans	-107.4	99.5	169.6	-179.9	0	0	0	104.7	N4	V2-N4 PolarHBondContact O-N 3.13Å
3	A	45.1	Very low	47.4	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	69%	0.687	S	S	*	*			trans	-62.7	106	168.9	0	0	0	0	106.4	N5	A3-N5 PolarHBondContact O-N 3.5Å
4	N	43.8	Very low	48.1	Very low	140 Å²	140	131.5 Å²	131.5	75%	0.749	69%	0.692	S	S	*	*			trans	-66.2	111.2	-178.1	-129.3	8.6	0	0	107.3	V2 F6	V2-N4 PolarHBondContact O-N 3.13Å; N4-F6 PolarHBondContact O-N 3.24Å
5	N	44.7	Very low	49.5	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	70%	0.695	S	S	*	*			trans	-71.2	25.1	-171.4	-137.3	0.4	0	0	113.1	A3 L7 S8	A3-N5 PolarHBondContact O-N 3.5Å; N5-L7 PolarHBondContact O-N 3.49Å; N5-S8 PolarHBondContact O-N 2.86Å
6	F	48.8	Very low	52	Low	161 Å²	161	128.3 Å²	128.3	71%	0.706	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-66.1	-22.9	-167.6	-164.5	-100.7	0	0	113	N4	N4-F6 PolarHBondContact O-N 3.24Å
7	L	47.6	Very low	54.6	Low	139 Å²	139	121.7 Å²	121.7	73%	0.728	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-81.9	-19.9	-177.2	-70.9	162.3	0	0	113.8	N5 F9 I10	N5-L7 PolarHBondContact O-N 3.49Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 2.62Å; L7-I10 HydrophobicContact CD2-CD1 3.84Å; L7-I10 PolarHBondContact O-N 2.91Å
8	S	47.9	Very low	56.9	Low	90 Å²	90	123.1 Å²	123.1	63%	0.629	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-68.8	-22.7	-176	-177.1	0	0	0	113.6	N5	N5-S8 PolarHBondContact O-N 2.86Å
9	F	46.8	Very low	59	Low	181 Å²	181	121.9 Å²	121.9	79%	0.794	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-90.2	-1.2	178.7	-84.6	-88.5	0	0	113.7	L7 K11	L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 2.62Å; F9-K11 PolarHBondContact O-N 3.07Å; F9-K11 VanDerWaalsContact O-N 3.09Å
10	I	49.4	Very low	60.9	Low	91 Å²	91	117.7 Å²	117.7	47%	0.467	62%	0.624	S	S	.	*			trans	-88.2	54.9	177.2	-42.4	-176.5	0	0	110	L7 A12	L7-I10 HydrophobicContact CD2-CD1 3.84Å; L7-I10 PolarHBondContact O-N 2.91Å; I10-A12 HydrophobicContact CG2-CB 4.28Å; I10-A12 PolarHBondContact O-N 3.43Å
11	K	48	Very low	62.6	Low	191 Å²	191	117.7 Å²	117.7	83%	0.83	62%	0.619	S	S	*	*	S	Bend	trans	-66.7	103	141.6	-94	-171.4	176.3	-176.6	104.6	F9	F9-K11 PolarHBondContact O-N 3.07Å; F9-K11 VanDerWaalsContact O-N 3.09Å
12	A	53.8	Low	65.5	Low	35 Å²	35	109.6 Å²	109.6	29%	0.289	58%	0.58	S	S	.	*			trans	-56.8	146.3	-153.4	0	0	0	0	111.7	I10 K14 D15	I10-A12 HydrophobicContact CG2-CB 4.28Å; I10-A12 PolarHBondContact O-N 3.43Å; A12-K14 HydrophobicContact CB-CB 4.22Å; A12-K14 HydrophobicContact CB-CG 4.32Å; A12-K14 PolarHBondContact O-N 3.4Å; A12-D15 PolarHBondContact O-N 3.07Å
13	S	55.2	Low	67.9	Low	37 Å²	37	103.8 Å²	103.8	26%	0.259	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-52.4	-20.7	172.7	63.2	0	0	0	113.3	D15 V16 F17	S13-D15 PolarHBondContact O-N 3.29Å; S13-V16 PolarHBondContact O-N 3.17Å; S13-F17 CarbonylContact C-O 3.55Å; S13-F17 PolarHBondContact O-N 3.38Å
14	K	57.1	Low	70.5	Confident	174 Å²	174	99.5 Å²	99.5	76%	0.757	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-51.5	-28.6	179.1	-69	-170.6	176	-176.5	114	A12 V16	A12-K14 HydrophobicContact CB-CB 4.22Å; A12-K14 HydrophobicContact CB-CG 4.32Å; A12-K14 PolarHBondContact O-N 3.4Å; K14-V16 VanDerWaalsContact C-N 3.33Å
15	D	69.3	Low	73.1	Confident	138 Å²	138	94.2 Å²	94.2	74%	0.738	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-83.2	-11.9	179.7	-61.2	-25.6	0	0	113	A12 S13	A12-D15 PolarHBondContact O-N 3.07Å; S13-D15 PolarHBondContact O-N 3.29Å
16	V	89.7	Confident	75.7	Confident	74 Å²	74	87.8 Å²	87.8	45%	0.448	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-43.7	-175.6	-177.2	0	0	0	111.7	S13 K14 K106 A110	S13-V16 PolarHBondContact O-N 3.17Å; K14-V16 VanDerWaalsContact C-N 3.33Å; V16-K106 HydrophobicContact CG1-CB 4.01Å; V16-K106 WeakPolarHBondContact O-CD 3.34Å; V16-A110 HydrophobicContact CG1-CB 4.05Å
17	F	95.1	Very high	78.1	Confident	16 Å²	16	81.6 Å²	81.6	7%	0.07	42%	0.421	C	S	.	.			trans	-153.5	155.6	175.6	75.9	-84.6	0	0	110.2	S13 L19 V101 D102 K106 A107 A110	S13-F17 CarbonylContact C-O 3.55Å; S13-F17 PolarHBondContact O-N 3.38Å; F17-L19 HydrophobicContact CE2-CD1 4.43Å; F17-V101 HydrophobicContact CD2-CB 4.02Å; F17-V101 HydrophobicContact CD2-CG1 3.77Å; F17-V101 HydrophobicContact CE2-CB 4.4Å; F17-V101 HydrophobicContact CE2-CG1 3.64Å; F17-D102 WeakPolarHBondContact CA-OD1 3.22Å; F17-D102 WeakPolarHBondContact CB-OD1 3.42Å; F17-K106 HydrophobicContact CB-CB 4.29Å; F17-A107 HydrophobicContact CB-CB 4.34Å; F17-A107 HydrophobicContact CD1-CB 3.99Å; F17-A107 HydrophobicContact CD2-CB 3.64Å; F17-A107 HydrophobicContact CE1-CB 4.14Å; F17-A107 HydrophobicContact CE2-CB 3.82Å; F17-A107 HydrophobicContact CG-CB 3.72Å; F17-A107 HydrophobicContact CZ-CB 4.06Å; F17-A110 HydrophobicContact CD1-CB 3.91Å; F17-A110 HydrophobicContact CE1-CB 3.73Å
18	K	96	Very high	80.5	Confident	147 Å²	147	75 Å²	75	64%	0.639	39%	0.387	S	S	*	.			trans	-98.7	125.8	174.8	-173.8	-178.5	173.9	-173.7	110.4	V101 D102	K18-V101 WeakPolarHBondContact O-CA 3.4Å; K18-D102 HydrophobicContact CB-CB 4.2Å; K18-D102 VanDerWaalsContact CB-OD2 3.26Å; K18-D102 WeakPolarHBondContact CB-OD2 3.47Å; K18-D102 PolarHBondContact N-OD1 3.02Å; K18-D102 PolarHBondContact N-OD2 3.45Å; K18-D102 PolarHBondContact O-N 2.95Å; K18-D102 VanDerWaalsContact O-N 3.14Å
19	L	97	Very high	82.9	Confident	100 Å²	100	71 Å²	71	52%	0.524	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.8	166.8	-164.2	70.9	0	0	109.4	F17 I99 V101	F17-L19 HydrophobicContact CE2-CD1 4.43Å; L19-I99 HydrophobicContact CD1-CG2 3.63Å; L19-I99 HydrophobicContact CD2-CG2 4.44Å; L19-I99 HydrophobicContact CG-CG2 3.9Å; L19-V101 HydrophobicContact CD1-CG1 4.02Å
20	G	96.9	Very high	85.4	Confident	37 Å²	37	65.4 Å²	65.4	38%	0.381	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-153.7	179.6	0	0	0	0	113	E100	G20-E100 WeakPolarHBondContact CA-O 3.44Å; G20-E100 PolarHBondContact N-O 3.45Å
21	K	97.8	Very high	87.7	Confident	118 Å²	118	64.8 Å²	64.8	51%	0.513	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	167	179.6	60.2	176.9	179.5	176.5	111.3	N23 E100	K21-N23 PolarHBondContact O-N 3.25Å; K21-E100 VanDerWaalsContact CE-CD 3.45Å; K21-E100 WeakPolarHBondContact CE-OE1 3.22Å; K21-E100 WeakPolarHBondContact CE-OE2 3.44Å; K21-E100 HydrophobicContact CG-CG 4.37Å; K21-E100 WeakPolarHBondContact CG-OE2 3.37Å; K21-E100 PolarHBondContact O-N 3.07Å
22	L	98.6	Very high	90.1	Very high	73 Å²	73	56.5 Å²	56.5	38%	0.382	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	119.2	161.4	-178.5	74.2	0	0	108.7	V25 S68 I97 C98	L22-V25 HydrophobicContact CD1-CG2 4.43Å; L22-V25 HydrophobicContact CD2-CG2 4.1Å; L22-S68 PolarHBondContact O-OG 2.93Å; L22-I97 HydrophobicContact CD1-CB 4.14Å; L22-C98 WeakPolarHBondContact CD1-O 3.44Å
23	N	98.2	Very high	92.2	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.053	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-55.5	175.2	-173.5	-80.2	0	0	109.8	K21 S68 K69 C98 E100 H128 E148	K21-N23 PolarHBondContact O-N 3.25Å; N23-S68 VanDerWaalsContact C-OG 3.28Å; N23-S68 WeakPolarHBondContact O-CA 3.46Å; N23-S68 PolarHBondContact O-OG 3.15Å; N23-K69 PolarHBondContact O-N 3.05Å; N23-K69 VanDerWaalsContact O-N 3.13Å; N23-C98 HydrophobicContact CB-CB 4.18Å; N23-C98 PolarHBondContact N-O 3.14Å; N23-E100 HydrophobicContact CB-CG 3.91Å; N23-E100 PolarHBondContact ND2-OE1 2.81Å; N23-H128 PolarHBondContact OD1-CE1 2.84Å; N23-H128 PolarHBondContact OD1-ND1 3.13Å; N23-E148 PolarHBondContact ND2-OE1 2.93Å
24	H	98.6	Very high	94.3	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.009	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	165.3	179	65.2	-97	0	0	113.6	K69 E71 H96 C98 H128 E146	H24-K69 CarbonylContact C-O 3.59Å; H24-K69 WeakPolarHBondContact CA-O 3.25Å; H24-K69 HydrophobicContact CB-CB 4.01Å; H24-K69 WeakPolarHBondContact CB-O 3.23Å; H24-E71 HydrophobicContact CB-CG 4.11Å; H24-E71 IonicContact CD2-OE1 2.86Å; H24-E71 IonicContact CD2-OE2 2.62Å; H24-E71 IonicContact CE1-OE1 3.25Å; H24-E71 PolarHBondContact CE1-OE1 3.03Å; H24-E71 IonicContact CG-OE1 3.68Å; H24-E71 IonicContact ND1-OE1 3.76Å; H24-E71 PolarHBondContact ND1-OE1 3.35Å; H24-E71 IonicContact NE2-OE1 3.91Å; H24-E71 IonicContact NE2-OE2 3Å; H24-H96 AromaticContact NE2-CD2 3.74Å; H24-H96 AromaticContact NE2-NE2 3.28Å; H24-H96 PolarHBondContact NE2-NE2 2.88Å; H24-C98 WeakPolarHBondContact CE1-CB 3.37Å; H24-C98 VanDerWaalsContact CE1-SG 3.57Å; H24-C98 WeakPolarHBondContact ND1-CB 3.1Å; H24-C98 VanDerWaalsContact NE2-CB 3.32Å; H24-C98 WeakPolarHBondContact NE2-CB 3.33Å; H24-C98 PolarHBondContact O-N 3.05Å; H24-H128 AromaticContact ND1-CE1 3.66Å; H24-E146 IonicContact CE1-OE2 3.65Å; H24-E146 PolarHBondContact CE1-OE2 3.23Å; H24-E146 VanDerWaalsContact CE1-OE2 3.27Å; H24-E146 IonicContact NE2-OE2 3Å
25	V	98.8	Very high	96.3	Very high	30 Å²	30	59.1 Å²	59.1	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.3	163.4	179.3	0	0	0	108.2	L22 K69 I70 E71 M94 I97	L22-V25 HydrophobicContact CD1-CG2 4.43Å; L22-V25 HydrophobicContact CD2-CG2 4.1Å; V25-K69 PolarHBondContact N-O 2.9Å; V25-I70 CarbonylContact O-C 3.56Å; V25-I70 WeakPolarHBondContact O-CA 3.25Å; V25-E71 PolarHBondContact O-N 3.11Å; V25-M94 HydrophobicContact CG1-CG 4.4Å; V25-I97 HydrophobicContact CG1-CG2 4.45Å; V25-I97 HydrophobicContact CG2-CG2 4.16Å
26	A	98.8	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.8	176.2	0	0	0	0	111.2	E71 L73 H95 H96	A26-E71 CarbonylContact C-O 3.59Å; A26-E71 WeakPolarHBondContact CA-O 3.49Å; A26-E71 HydrophobicContact CB-CB 4.4Å; A26-L73 HydrophobicContact CB-CD1 3.81Å; A26-L73 HydrophobicContact CB-CG 4.32Å; A26-H95 PolarHBondContact O-N 3.28Å; A26-H96 WeakPolarHBondContact CB-CE1 3.48Å; A26-H96 WeakPolarHBondContact CB-NE2 3.05Å; A26-H96 PolarHBondContact N-O 2.96Å
27	I	98.9	Very high	98.1	Very high	30 Å²	30	53.7 Å²	53.7	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.2	177.9	-57.8	-179	0	0	108.3	C29 Y39 I70 E71 L72 L73 G93	I27-C29 PolarHBondContact O-N 3.41Å; I27-C29 PolarHBondContact O-SG 3.23Å; I27-C29 VanDerWaalsContact O-SG 3.33Å; I27-Y39 WeakPolarHBondContact CD1-OH 3.45Å; I27-I70 HydrophobicContact CD1-CG2 3.58Å; I27-I70 HydrophobicContact CG1-CG2 3.93Å; I27-E71 PolarHBondContact N-O 3.47Å; I27-L72 HydrophobicContact CB-CD2 4.19Å; I27-L72 HydrophobicContact CD1-CD2 4.45Å; I27-L73 PolarHBondContact O-N 3.33Å; I27-G93 CarbonylContact C-O 3.6Å; I27-G93 WeakPolarHBondContact CA-O 3.15Å
28	A	98.9	Very high	98.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.4	172	0	0	0	0	109.5	L73 I82 F85 L86 G92 G93 H95	A28-L73 CarbonylContact C-O 3.46Å; A28-L73 WeakPolarHBondContact CA-O 3.32Å; A28-I82 HydrophobicContact CB-CD1 4.19Å; A28-F85 HydrophobicContact CB-CD1 3.68Å; A28-F85 HydrophobicContact CB-CE1 3.95Å; A28-L86 HydrophobicContact CB-CD2 3.85Å; A28-L86 HydrophobicContact CB-CG 4.12Å; A28-G92 CarbonylContact O-C 3.54Å; A28-G92 WeakPolarHBondContact O-CA 3.5Å; A28-G93 PolarHBondContact N-O 3.26Å; A28-G93 PolarHBondContact O-N 3.41Å; A28-H95 HydrophobicContact CB-CB 4.24Å
29	C	98.8	Very high	98.4	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.047	27%	0.27	C	S	.	.			trans	-119.6	118	-172.5	-63.3	0	0	0	110.1	I27 D31 L32 A35 L73 H74	I27-C29 PolarHBondContact O-N 3.41Å; I27-C29 PolarHBondContact O-SG 3.23Å; I27-C29 VanDerWaalsContact O-SG 3.33Å; C29-D31 PolarHBondContact O-N 3.47Å; C29-L32 HydrophobicContact CB-CD1 4.47Å; C29-A35 HydrophobicContact CB-CB 4.02Å; C29-L73 PolarHBondContact N-O 3.46Å; C29-H74 PolarHBondContact O-ND1 2.9Å
30	P	98.2	Very high	98.5	Very high	63 Å²	63	54 Å²	54	41%	0.409	27%	0.271	S	S	.	.	S	Bend	trans	-69.1	-24.9	174.5	29.2	-35.9	0	0	112.5	H74 L86	P30-H74 PolarHBondContact O-CE1 3.07Å; P30-H74 PolarHBondContact O-ND1 2.9Å; P30-L86 HydrophobicContact CB-CD2 4.5Å
31	D	98.4	Very high	98.6	Very high	79 Å²	79	57.6 Å²	57.6	42%	0.422	28%	0.281	S	S	.	.			trans	-130.7	101.7	172.9	-178.6	-20.3	0	0	108.8	C29 K33 K34 A35	C29-D31 PolarHBondContact O-N 3.47Å; D31-K33 VanDerWaalsContact C-N 3.34Å; D31-K33 PolarHBondContact OD1-N 3.4Å; D31-K34 HydrophobicContact CB-CB 3.99Å; D31-K34 VanDerWaalsContact CG-CB 3.41Å; D31-K34 PolarHBondContact OD1-N 3.41Å; D31-K34 WeakPolarHBondContact OD2-CB 3.3Å; D31-A35 WeakPolarHBondContact O-CB 3.3Å; D31-A35 PolarHBondContact O-N 3.06Å; D31-A35 VanDerWaalsContact O-N 3.11Å
32	L	98.4	Very high	98.6	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-36.9	-176.9	-167.4	56.3	0	0	112.1	C29 A35 S36 P50 T59 V61 L72 H74	C29-L32 HydrophobicContact CB-CD1 4.47Å; L32-A35 PolarHBondContact O-N 3.4Å; L32-S36 VanDerWaalsContact O-CB 3.3Å; L32-S36 WeakPolarHBondContact O-CB 3.36Å; L32-S36 PolarHBondContact O-N 2.76Å; L32-S36 PolarHBondContact O-OG 3.31Å; L32-P50 HydrophobicContact CD2-CB 4.39Å; L32-T59 HydrophobicContact CD2-CG2 3.57Å; L32-V61 HydrophobicContact CD1-CB 4.2Å; L32-V61 HydrophobicContact CD1-CG2 4.14Å; L32-V61 HydrophobicContact CD2-CG2 4Å; L32-V61 HydrophobicContact CG-CG2 4Å; L32-L72 HydrophobicContact CD1-CB 3.61Å; L32-L72 WeakPolarHBondContact CD1-O 3.38Å; L32-H74 HydrophobicContact CB-CB 3.85Å; L32-H74 HydrophobicContact CD1-CB 4.32Å; L32-H74 HydrophobicContact CD2-CB 3.94Å; L32-H74 HydrophobicContact CG-CB 4.25Å
33	K	98.5	Very high	98.6	Very high	132 Å²	132	56.8 Å²	56.8	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-65.2	-50.6	-179	-179.9	179.6	178.7	-69.5	109.7	D31 A35 S36 E37	D31-K33 VanDerWaalsContact C-N 3.34Å; D31-K33 PolarHBondContact OD1-N 3.4Å; K33-A35 VanDerWaalsContact C-N 3.33Å; K33-A35 PolarHBondContact O-N 2.84Å; K33-S36 PolarHBondContact O-N 2.66Å; K33-E37 WeakPolarHBondContact CE-OE1 3.17Å; K33-E37 IonicContact NZ-OE1 3.13Å; K33-E37 PolarHBondContact NZ-OE1 3.18Å; K33-E37 IonicContact NZ-OE2 3.46Å; K33-E37 PolarHBondContact NZ-OE2 3.39Å; K33-E37 WeakPolarHBondContact O-CB 3.41Å; K33-E37 WeakPolarHBondContact O-CG 3.46Å; K33-E37 PolarHBondContact O-N 3.15Å
34	K	98.6	Very high	98.6	Very high	150 Å²	150	59.4 Å²	59.4	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-59.1	-43.8	177.5	-179.3	179.9	177.4	-178.1	112	D31 E37 F38	D31-K34 HydrophobicContact CB-CB 3.99Å; D31-K34 VanDerWaalsContact CG-CB 3.41Å; D31-K34 PolarHBondContact OD1-N 3.41Å; D31-K34 WeakPolarHBondContact OD2-CB 3.3Å; K34-E37 PolarHBondContact O-N 3.02Å; K34-F38 PolarHBondContact O-N 3.45Å
35	A	98.7	Very high	98.5	Very high	19 Å²	19	60.5 Å²	60.5	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-45.8	177.3	0	0	0	0	111.3	C29 D31 L32 K33 E37 F38 Y39 L72	C29-A35 HydrophobicContact CB-CB 4.02Å; D31-A35 WeakPolarHBondContact O-CB 3.3Å; D31-A35 PolarHBondContact O-N 3.06Å; D31-A35 VanDerWaalsContact O-N 3.11Å; L32-A35 PolarHBondContact O-N 3.4Å; K33-A35 VanDerWaalsContact C-N 3.33Å; K33-A35 PolarHBondContact O-N 2.84Å; A35-E37 PolarHBondContact O-N 3.27Å; A35-F38 WeakPolarHBondContact O-CB 3.4Å; A35-F38 PolarHBondContact O-N 2.93Å; A35-Y39 VanDerWaalsContact O-CD2 3.31Å; A35-Y39 WeakPolarHBondContact O-CD2 3.31Å; A35-Y39 PolarHBondContact O-N 2.84Å; A35-L72 HydrophobicContact CB-CD1 4.02Å
36	S	98.7	Very high	98.5	Very high	17 Å²	17	64 Å²	64	12%	0.119	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-43	179.1	-55.2	0	0	0	112	L32 K33 F38 Y39 K40	L32-S36 VanDerWaalsContact O-CB 3.3Å; L32-S36 WeakPolarHBondContact O-CB 3.36Å; L32-S36 PolarHBondContact O-N 2.76Å; L32-S36 PolarHBondContact O-OG 3.31Å; K33-S36 PolarHBondContact O-N 2.66Å; S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 3.27Å; S36-Y39 PolarHBondContact O-N 2.84Å; S36-K40 VanDerWaalsContact O-CB 3.3Å; S36-K40 WeakPolarHBondContact O-CB 3.35Å; S36-K40 PolarHBondContact O-N 3.44Å
37	E	98.7	Very high	98.5	Very high	80 Å²	80	65 Å²	65	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-33.4	177.5	-74.6	176.9	148.5	0	112.7	K33 K34 A35 N41	K33-E37 WeakPolarHBondContact CE-OE1 3.17Å; K33-E37 IonicContact NZ-OE1 3.13Å; K33-E37 PolarHBondContact NZ-OE1 3.18Å; K33-E37 IonicContact NZ-OE2 3.46Å; K33-E37 PolarHBondContact NZ-OE2 3.39Å; K33-E37 WeakPolarHBondContact O-CB 3.41Å; K33-E37 WeakPolarHBondContact O-CG 3.46Å; K33-E37 PolarHBondContact O-N 3.15Å; K34-E37 PolarHBondContact O-N 3.02Å; A35-E37 PolarHBondContact O-N 3.27Å; E37-N41 WeakPolarHBondContact O-CA 3.3Å; E37-N41 VanDerWaalsContact O-CB 3.25Å; E37-N41 WeakPolarHBondContact O-CB 3.26Å; E37-N41 PolarHBondContact O-N 3.06Å
38	F	98.7	Very high	98.5	Very high	105 Å²	105	65.4 Å²	65.4	46%	0.461	36%	0.359	S	S	.	.	I	π-helix	trans	-61.1	-53.9	173.3	169.3	-101	0	0	111.1	K34 A35 S36 K40 A42 L43	K34-F38 PolarHBondContact O-N 3.45Å; A35-F38 WeakPolarHBondContact O-CB 3.4Å; A35-F38 PolarHBondContact O-N 2.93Å; S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 3.27Å; F38-K40 PolarHBondContact O-N 2.88Å; F38-A42 HydrophobicContact CD2-CB 3.93Å; F38-A42 HydrophobicContact CE2-CB 4.26Å; F38-A42 WeakPolarHBondContact O-CA 3.38Å; F38-A42 WeakPolarHBondContact O-CB 3.39Å; F38-A42 PolarHBondContact O-N 3.44Å; F38-L43 HydrophobicContact CD1-CD1 4.31Å; F38-L43 HydrophobicContact CE1-CD1 3.55Å; F38-L43 HydrophobicContact CE1-CG 4.11Å; F38-L43 HydrophobicContact CE2-CG 4.5Å; F38-L43 HydrophobicContact CZ-CD1 3.79Å; F38-L43 HydrophobicContact CZ-CD2 4.25Å; F38-L43 HydrophobicContact CZ-CG 4.01Å; F38-L43 PolarHBondContact O-N 3.33Å
39	Y	98.7	Very high	98.4	Very high	42 Å²	42	69.1 Å²	69.1	17%	0.165	39%	0.39	C	S	.	.	I	π-helix	trans	-64.2	-41.3	179.9	-75.6	-81.3	0	0	112.1	I27 A35 S36 L43 G44 A45 V63 I70 L72	I27-Y39 WeakPolarHBondContact CD1-OH 3.45Å; A35-Y39 VanDerWaalsContact O-CD2 3.31Å; A35-Y39 WeakPolarHBondContact O-CD2 3.31Å; A35-Y39 PolarHBondContact O-N 2.84Å; S36-Y39 PolarHBondContact O-N 2.84Å; Y39-L43 HydrophobicContact CD1-CD1 3.87Å; Y39-L43 HydrophobicContact CE1-CD1 4.13Å; Y39-L43 CarbonylContact O-C 3.54Å; Y39-L43 WeakPolarHBondContact O-CB 3.39Å; Y39-G44 PolarHBondContact O-N 2.94Å; Y39-A45 VanDerWaalsContact O-CB 3.3Å; Y39-A45 WeakPolarHBondContact O-CB 3.36Å; Y39-A45 PolarHBondContact O-N 3.45Å; Y39-V63 HydrophobicContact CD1-CG1 4.01Å; Y39-V63 HydrophobicContact CD1-CG2 4.14Å; Y39-V63 HydrophobicContact CD2-CG2 4.07Å; Y39-V63 HydrophobicContact CG-CG1 4.27Å; Y39-V63 HydrophobicContact CG-CG2 3.76Å; Y39-I70 HydrophobicContact CE1-CD1 3.64Å; Y39-L72 HydrophobicContact CD2-CD1 3.86Å; Y39-L72 HydrophobicContact CD2-CD2 4.08Å; Y39-L72 HydrophobicContact CE2-CD1 4.29Å; Y39-L72 HydrophobicContact CE2-CD2 3.65Å
40	K	98.6	Very high	98.4	Very high	124 Å²	124	73 Å²	73	54%	0.539	42%	0.415	S	S	.	.	I	π-helix	trans	-70.9	-53.3	-178.6	-173.6	176.2	179	170.4	112.9	S36 F38 G44 V47	S36-K40 VanDerWaalsContact O-CB 3.3Å; S36-K40 WeakPolarHBondContact O-CB 3.35Å; S36-K40 PolarHBondContact O-N 3.44Å; F38-K40 PolarHBondContact O-N 2.88Å; K40-G44 WeakPolarHBondContact O-CA 3.5Å; K40-G44 PolarHBondContact O-N 3.13Å; K40-V47 HydrophobicContact CB-CB 4.15Å; K40-V47 HydrophobicContact CB-CG2 3.83Å
41	N	98.4	Very high	98.4	Very high	112 Å²	112	74.6 Å²	74.6	60%	0.599	42%	0.417	S	S	*	.	I	π-helix	trans	-94.6	-39.1	-167.4	-58	-25	0	0	112.3	E37	E37-N41 WeakPolarHBondContact O-CA 3.3Å; E37-N41 VanDerWaalsContact O-CB 3.25Å; E37-N41 WeakPolarHBondContact O-CB 3.26Å; E37-N41 PolarHBondContact O-N 3.06Å
42	A	98.3	Very high	98.4	Very high	69 Å²	69	75.3 Å²	75.3	57%	0.57	42%	0.421	S	S	*	.	I	π-helix	trans	-82	-37.1	-179	0	0	0	0	111.8	F38	F38-A42 HydrophobicContact CD2-CB 3.93Å; F38-A42 HydrophobicContact CE2-CB 4.26Å; F38-A42 WeakPolarHBondContact O-CA 3.38Å; F38-A42 WeakPolarHBondContact O-CB 3.39Å; F38-A42 PolarHBondContact O-N 3.44Å
43	L	98.4	Very high	98.3	Very high	105 Å²	105	75.4 Å²	75.4	55%	0.55	42%	0.421	S	S	.	.	S	Bend	trans	-102.6	-10.2	-179.1	-57.3	-175.9	0	0	114.2	F38 Y39 A45	F38-L43 HydrophobicContact CD1-CD1 4.31Å; F38-L43 HydrophobicContact CE1-CD1 3.55Å; F38-L43 HydrophobicContact CE1-CG 4.11Å; F38-L43 HydrophobicContact CE2-CG 4.5Å; F38-L43 HydrophobicContact CZ-CD1 3.79Å; F38-L43 HydrophobicContact CZ-CD2 4.25Å; F38-L43 HydrophobicContact CZ-CG 4.01Å; F38-L43 PolarHBondContact O-N 3.33Å; Y39-L43 HydrophobicContact CD1-CD1 3.87Å; Y39-L43 HydrophobicContact CE1-CD1 4.13Å; Y39-L43 CarbonylContact O-C 3.54Å; Y39-L43 WeakPolarHBondContact O-CB 3.39Å; L43-A45 VanDerWaalsContact C-N 3.26Å; L43-A45 PolarHBondContact O-N 2.88Å
44	G	97.7	Very high	98.2	Very high	64 Å²	64	74 Å²	74	66%	0.66	43%	0.426	S	S	*	.			trans	69.4	21.3	179.4	0	0	0	0	114.1	Y39 K40	Y39-G44 PolarHBondContact O-N 2.94Å; K40-G44 WeakPolarHBondContact O-CA 3.5Å; K40-G44 PolarHBondContact O-N 3.13Å
45	A	97.9	Very high	97.9	Very high	26 Å²	26	72 Å²	72	22%	0.215	43%	0.431	C	S	.	.			trans	-75.3	156.5	-177.3	0	0	0	0	112.3	Y39 L43 V47 V63	Y39-A45 VanDerWaalsContact O-CB 3.3Å; Y39-A45 WeakPolarHBondContact O-CB 3.36Å; Y39-A45 PolarHBondContact O-N 3.45Å; L43-A45 VanDerWaalsContact C-N 3.26Å; L43-A45 PolarHBondContact O-N 2.88Å; A45-V47 HydrophobicContact CB-CG2 4.25Å; A45-V47 PolarHBondContact O-N 3.17Å; A45-V63 HydrophobicContact CB-CG1 3.61Å
46	D	98.5	Very high	97.7	Very high	102 Å²	102	74 Å²	74	55%	0.545	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.1	166.5	176.8	33	0	0	109.6	V63 N64	D46-V63 WeakPolarHBondContact O-CA 3.47Å; D46-N64 HydrophobicContact CB-CB 4.24Å; D46-N64 PolarHBondContact O-N 2.84Å; D46-N64 WeakPolarHBondContact OD2-CB 3.32Å; D46-N64 PolarHBondContact OD2-ND2 3Å
47	V	98.7	Very high	97.6	Very high	21 Å²	21	73.6 Å²	73.6	13%	0.127	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.7	-171.5	-177.7	0	0	0	109.6	K40 A45 V61 F62 V63	K40-V47 HydrophobicContact CB-CB 4.15Å; K40-V47 HydrophobicContact CB-CG2 3.83Å; A45-V47 HydrophobicContact CB-CG2 4.25Å; A45-V47 PolarHBondContact O-N 3.17Å; V47-V61 HydrophobicContact CG1-CG1 3.29Å; V47-F62 WeakPolarHBondContact CA-O 3.32Å; V47-V63 HydrophobicContact CG2-CG1 4.34Å; V47-V63 HydrophobicContact CG2-CG2 4.24Å
48	S	98.1	Very high	97.6	Very high	39 Å²	39	70.2 Å²	70.2	27%	0.273	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-68.4	166.8	179.9	78.8	0	0	0	112.8	F62	S48-F62 PolarHBondContact N-O 2.91Å; S48-F62 PolarHBondContact OG-N 2.78Å
49	A	98.2	Very high	97.6	Very high	78 Å²	78	66 Å²	66	65%	0.645	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-65.2	154.4	160.2	0	0	0	0	110.4
50	P	98.4	Very high	97.6	Very high	88 Å²	88	64.1 Å²	64.1	57%	0.571	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-60.8	137.6	169.8	-20.2	32	0	0	111.5	L32 T59 T60 V61	L32-P50 HydrophobicContact CD2-CB 4.39Å; P50-T59 HydrophobicContact CB-CG2 3.89Å; P50-T60 WeakPolarHBondContact CA-O 3.46Å; P50-V61 HydrophobicContact CB-CG2 3.88Å; P50-V61 HydrophobicContact CG-CG2 3.79Å
51	Q	97.8	Very high	97.6	Very high	97 Å²	97	58.2 Å²	58.2	45%	0.453	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.3	177.3	-179.5	-179.1	-6	0	110.1	L53 T59 T60	Q51-L53 HydrophobicContact CG-CD2 4.18Å; Q51-T59 CarbonylContact O-C 3.54Å; Q51-T59 WeakPolarHBondContact O-CA 3.35Å; Q51-T60 PolarHBondContact N-O 2.89Å; Q51-T60 PolarHBondContact O-N 2.79Å
52	D	98	Very high	97.6	Very high	94 Å²	94	54 Å²	54	50%	0.503	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.9	172.5	-73.7	-13.1	0	0	110.7	T59 L76	D52-T59 WeakPolarHBondContact OD1-CB 3.41Å; D52-T59 WeakPolarHBondContact OD1-CG2 3.47Å; D52-T59 PolarHBondContact OD1-OG1 3.47Å; D52-L76 HydrophobicContact CB-CD2 3.76Å
53	L	95.9	Very high	97.6	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.099	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	78.5	176.3	-64.1	180	0	0	109.4	Q51 S55 H56 G57 V58 A127	Q51-L53 HydrophobicContact CG-CD2 4.18Å; L53-S55 VanDerWaalsContact C-N 3.29Å; L53-S55 PolarHBondContact O-N 2.65Å; L53-H56 HydrophobicContact CB-CB 4.11Å; L53-H56 CarbonylContact O-C 3.56Å; L53-H56 WeakPolarHBondContact O-CA 3.49Å; L53-H56 PolarHBondContact O-N 3.33Å; L53-G57 PolarHBondContact O-N 2.59Å; L53-V58 WeakPolarHBondContact CA-O 3.21Å; L53-V58 HydrophobicContact CB-CG2 4.36Å; L53-V58 WeakPolarHBondContact CB-O 3.19Å; L53-V58 PolarHBondContact N-O 3.36Å; L53-V58 PolarHBondContact O-N 2.85Å; L53-A127 HydrophobicContact CD1-CB 3.57Å
54	P	96.3	Very high	97.5	Very high	104 Å²	104	48.6 Å²	48.6	68%	0.675	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59	-35.5	-172.6	-26.4	35.3	0	0	114.3	H56 G57 L76	P54-H56 PolarHBondContact O-N 2.85Å; P54-G57 PolarHBondContact O-N 2.84Å; P54-G57 VanDerWaalsContact O-N 3.15Å; P54-L76 HydrophobicContact CG-CD2 4.22Å
55	S	92.7	Very high	97.5	Very high	108 Å²	108	49.8 Å²	49.8	76%	0.755	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.5	176	52.4	0	0	0	113.3	L53	L53-S55 VanDerWaalsContact C-N 3.29Å; L53-S55 PolarHBondContact O-N 2.65Å
56	H	94.3	Very high	97.4	Very high	59 Å²	59	52.6 Å²	52.6	27%	0.273	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-100.9	-6.8	178.6	-60.1	-80	0	0	112.4	L53 P54 V58 P81 I125	L53-H56 HydrophobicContact CB-CB 4.11Å; L53-H56 CarbonylContact O-C 3.56Å; L53-H56 WeakPolarHBondContact O-CA 3.49Å; L53-H56 PolarHBondContact O-N 3.33Å; P54-H56 PolarHBondContact O-N 2.85Å; H56-V58 VanDerWaalsContact C-N 3.26Å; H56-V58 HydrophobicContact CB-CG2 3.91Å; H56-V58 PolarHBondContact O-N 2.93Å; H56-P81 WeakPolarHBondContact O-CD 3.42Å; H56-P81 VanDerWaalsContact O-CG 3.22Å; H56-P81 WeakPolarHBondContact O-CG 3.43Å; H56-I125 PolarHBondContact CE1-O 2.83Å; H56-I125 VanDerWaalsContact CE1-O 3.26Å
57	G	97	Very high	97.2	Very high	10 Å²	10	53.4 Å²	53.4	10%	0.103	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	31.4	-178.3	0	0	0	0	113.3	L53 P54 L76 S80	L53-G57 PolarHBondContact O-N 2.59Å; P54-G57 PolarHBondContact O-N 2.84Å; P54-G57 VanDerWaalsContact O-N 3.15Å; G57-L76 CarbonylContact C-O 3.59Å; G57-L76 WeakPolarHBondContact CA-O 3.22Å; G57-L76 PolarHBondContact O-N 2.91Å; G57-S80 WeakPolarHBondContact O-CB 3.48Å; G57-S80 PolarHBondContact O-OG 2.77Å
58	V	98.5	Very high	97.1	Very high	9 Å²	9	53 Å²	53	6%	0.055	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.9	178.5	-65	0	0	0	112.5	L53 H56 L73 H74 L76 I82	L53-V58 WeakPolarHBondContact CA-O 3.21Å; L53-V58 HydrophobicContact CB-CG2 4.36Å; L53-V58 WeakPolarHBondContact CB-O 3.19Å; L53-V58 PolarHBondContact N-O 3.36Å; L53-V58 PolarHBondContact O-N 2.85Å; H56-V58 VanDerWaalsContact C-N 3.26Å; H56-V58 HydrophobicContact CB-CG2 3.91Å; H56-V58 PolarHBondContact O-N 2.93Å; V58-L73 HydrophobicContact CG1-CB 4.49Å; V58-L73 HydrophobicContact CG2-CD2 4.38Å; V58-H74 CarbonylContact C-O 3.16Å; V58-H74 WeakPolarHBondContact CA-O 3.46Å; V58-H74 WeakPolarHBondContact CB-O 3.36Å; V58-L76 VanDerWaalsContact C-CB 3.49Å; V58-I82 HydrophobicContact CG1-CD1 4.01Å; V58-I82 HydrophobicContact CG1-CG1 3.94Å; V58-I82 HydrophobicContact CG1-CG2 4.35Å
59	T	98.7	Very high	97.1	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.104	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.7	157.3	-53.2	0	0	0	107.6	L32 P50 Q51 D52 H74	L32-T59 HydrophobicContact CD2-CG2 3.57Å; P50-T59 HydrophobicContact CB-CG2 3.89Å; Q51-T59 CarbonylContact O-C 3.54Å; Q51-T59 WeakPolarHBondContact O-CA 3.35Å; D52-T59 WeakPolarHBondContact OD1-CB 3.41Å; D52-T59 WeakPolarHBondContact OD1-CG2 3.47Å; D52-T59 PolarHBondContact OD1-OG1 3.47Å; T59-H74 PolarHBondContact N-O 3.1Å; T59-H74 PolarHBondContact O-N 2.88Å
60	T	98.5	Very high	97.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.7	-175.2	-53.3	0	0	0	111.3	P50 Q51 F62 E71 L72 L73	P50-T60 WeakPolarHBondContact CA-O 3.46Å; Q51-T60 PolarHBondContact N-O 2.89Å; Q51-T60 PolarHBondContact O-N 2.79Å; T60-F62 HydrophobicContact CG2-CD1 4.22Å; T60-F62 HydrophobicContact CG2-CD2 4.26Å; T60-F62 HydrophobicContact CG2-CE1 3.8Å; T60-F62 HydrophobicContact CG2-CE2 3.84Å; T60-F62 HydrophobicContact CG2-CG 4.44Å; T60-F62 HydrophobicContact CG2-CZ 3.59Å; T60-E71 HydrophobicContact CG2-CB 4.13Å; T60-E71 HydrophobicContact CG2-CG 4.41Å; T60-L72 CarbonylContact C-O 3.53Å; T60-L72 VanDerWaalsContact CA-O 3.32Å; T60-L72 WeakPolarHBondContact CA-O 3.32Å; T60-L73 HydrophobicContact CG2-CD2 3.75Å; T60-L73 WeakPolarHBondContact OG1-CD2 3.42Å
61	V	98.7	Very high	97.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.5	163.3	167.1	0	0	0	108.4	L32 V47 P50 L72	L32-V61 HydrophobicContact CD1-CB 4.2Å; L32-V61 HydrophobicContact CD1-CG2 4.14Å; L32-V61 HydrophobicContact CD2-CG2 4Å; L32-V61 HydrophobicContact CG-CG2 4Å; V47-V61 HydrophobicContact CG1-CG1 3.29Å; P50-V61 HydrophobicContact CB-CG2 3.88Å; P50-V61 HydrophobicContact CG-CG2 3.79Å; V61-L72 HydrophobicContact CB-CB 4.23Å; V61-L72 HydrophobicContact CB-CD1 4.43Å; V61-L72 HydrophobicContact CG1-CD1 4.23Å; V61-L72 PolarHBondContact N-O 3.27Å; V61-L72 PolarHBondContact O-N 3.23Å
62	F	98.2	Very high	97.2	Very high	23 Å²	23	43.1 Å²	43.1	10%	0.101	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.4	-179.7	-59.3	-85.9	0	0	110.3	V47 S48 T60 K69 E71 H128	V47-F62 WeakPolarHBondContact CA-O 3.32Å; S48-F62 PolarHBondContact N-O 2.91Å; S48-F62 PolarHBondContact OG-N 2.78Å; T60-F62 HydrophobicContact CG2-CD1 4.22Å; T60-F62 HydrophobicContact CG2-CD2 4.26Å; T60-F62 HydrophobicContact CG2-CE1 3.8Å; T60-F62 HydrophobicContact CG2-CE2 3.84Å; T60-F62 HydrophobicContact CG2-CG 4.44Å; T60-F62 HydrophobicContact CG2-CZ 3.59Å; F62-K69 HydrophobicContact CD1-CD 4.01Å; F62-E71 HydrophobicContact CD1-CG 3.75Å; F62-E71 HydrophobicContact CE1-CG 3.77Å; F62-E71 WeakPolarHBondContact CE1-OE1 3.34Å; F62-H128 AromaticContact CE1-NE2 3.6Å
63	V	98.7	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.9	166.9	-172.9	0	0	0	107.7	Y39 A45 D46 V47 L65 K69 I70 L72	Y39-V63 HydrophobicContact CD1-CG1 4.01Å; Y39-V63 HydrophobicContact CD1-CG2 4.14Å; Y39-V63 HydrophobicContact CD2-CG2 4.07Å; Y39-V63 HydrophobicContact CG-CG1 4.27Å; Y39-V63 HydrophobicContact CG-CG2 3.76Å; A45-V63 HydrophobicContact CB-CG1 3.61Å; D46-V63 WeakPolarHBondContact O-CA 3.47Å; V47-V63 HydrophobicContact CG2-CG1 4.34Å; V47-V63 HydrophobicContact CG2-CG2 4.24Å; V63-L65 HydrophobicContact CG1-CD2 4.2Å; V63-K69 VanDerWaalsContact O-CA 3.32Å; V63-K69 WeakPolarHBondContact O-CA 3.06Å; V63-I70 HydrophobicContact CB-CB 4.06Å; V63-I70 HydrophobicContact CG2-CB 4.32Å; V63-I70 PolarHBondContact N-O 2.94Å; V63-I70 PolarHBondContact O-N 3.26Å; V63-L72 HydrophobicContact CG2-CD1 4.09Å; V63-L72 HydrophobicContact CG2-CG 4.22Å
64	N	97.9	Very high	97.4	Very high	61 Å²	61	41.1 Å²	41.1	33%	0.326	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123	-175.2	-63.2	-47.9	0	0	110.7	D46	D46-N64 HydrophobicContact CB-CB 4.24Å; D46-N64 PolarHBondContact O-N 2.84Å; D46-N64 WeakPolarHBondContact OD2-CB 3.32Å; D46-N64 PolarHBondContact OD2-ND2 3Å
65	L	97	Very high	97.5	Very high	89 Å²	89	37.7 Å²	37.7	47%	0.466	23%	0.227	S	C	.	.			trans	-110.8	7.1	-179.7	-54.2	178	0	0	113	V63 N67 S68 I70	V63-L65 HydrophobicContact CG1-CD2 4.2Å; L65-N67 PolarHBondContact O-N 2.91Å; L65-N67 PolarHBondContact O-OD1 2.9Å; L65-S68 WeakPolarHBondContact CB-O 3.47Å; L65-S68 PolarHBondContact N-O 2.82Å; L65-I70 HydrophobicContact CD1-CD1 4.22Å; L65-I70 HydrophobicContact CD1-CG1 4.09Å
66	G	94.6	Very high	97.8	Very high	85 Å²	85	35 Å²	35	88%	0.876	20%	0.204	S	C	*	.	S	Bend	trans	78.6	-52.7	-176.6	0	0	0	0	113.7
67	N	95.2	Very high	97.9	Very high	119 Å²	119	34.7 Å²	34.7	64%	0.636	22%	0.217	S	C	*	.	S	Bend	trans	-90.8	-23.7	178.7	70	-33.1	0	0	114	L65	L65-N67 PolarHBondContact O-N 2.91Å; L65-N67 PolarHBondContact O-OD1 2.9Å
68	S	97.5	Very high	97.7	Very high	14 Å²	14	42.2 Å²	42.2	10%	0.098	26%	0.255	C	S	.	.			trans	-155.3	-175.7	-178	-170.4	0	0	0	109.8	L22 N23 L65	L22-S68 PolarHBondContact O-OG 2.93Å; N23-S68 VanDerWaalsContact C-OG 3.28Å; N23-S68 WeakPolarHBondContact O-CA 3.46Å; N23-S68 PolarHBondContact O-OG 3.15Å; L65-S68 WeakPolarHBondContact CB-O 3.47Å; L65-S68 PolarHBondContact N-O 2.82Å
69	K	98.1	Very high	97.5	Very high	61 Å²	61	51.5 Å²	51.5	27%	0.265	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.4	175.5	-51.5	-170.2	-163.4	80.6	111.7	N23 H24 V25 F62 V63	N23-K69 PolarHBondContact O-N 3.05Å; N23-K69 VanDerWaalsContact O-N 3.13Å; H24-K69 CarbonylContact C-O 3.59Å; H24-K69 WeakPolarHBondContact CA-O 3.25Å; H24-K69 HydrophobicContact CB-CB 4.01Å; H24-K69 WeakPolarHBondContact CB-O 3.23Å; V25-K69 PolarHBondContact N-O 2.9Å; F62-K69 HydrophobicContact CD1-CD 4.01Å; V63-K69 VanDerWaalsContact O-CA 3.32Å; V63-K69 WeakPolarHBondContact O-CA 3.06Å
70	I	98.8	Very high	97.4	Very high	26 Å²	26	51 Å²	51	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	156	-61.7	167.9	0	0	107.3	V25 I27 Y39 V63 L65 L72	V25-I70 CarbonylContact O-C 3.56Å; V25-I70 WeakPolarHBondContact O-CA 3.25Å; I27-I70 HydrophobicContact CD1-CG2 3.58Å; I27-I70 HydrophobicContact CG1-CG2 3.93Å; Y39-I70 HydrophobicContact CE1-CD1 3.64Å; V63-I70 HydrophobicContact CB-CB 4.06Å; V63-I70 HydrophobicContact CG2-CB 4.32Å; V63-I70 PolarHBondContact N-O 2.94Å; V63-I70 PolarHBondContact O-N 3.26Å; L65-I70 HydrophobicContact CD1-CD1 4.22Å; L65-I70 HydrophobicContact CD1-CG1 4.09Å; I70-L72 HydrophobicContact CG2-CD2 3.78Å
71	E	98.7	Very high	97.3	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.033	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.2	174.1	-64.8	-170.5	-173.5	0	109.5	H24 V25 A26 I27 T60 F62 L73 H128	H24-E71 HydrophobicContact CB-CG 4.11Å; H24-E71 IonicContact CD2-OE1 2.86Å; H24-E71 IonicContact CD2-OE2 2.62Å; H24-E71 IonicContact CE1-OE1 3.25Å; H24-E71 PolarHBondContact CE1-OE1 3.03Å; H24-E71 IonicContact CG-OE1 3.68Å; H24-E71 IonicContact ND1-OE1 3.76Å; H24-E71 PolarHBondContact ND1-OE1 3.35Å; H24-E71 IonicContact NE2-OE1 3.91Å; H24-E71 IonicContact NE2-OE2 3Å; V25-E71 PolarHBondContact O-N 3.11Å; A26-E71 CarbonylContact C-O 3.59Å; A26-E71 WeakPolarHBondContact CA-O 3.49Å; A26-E71 HydrophobicContact CB-CB 4.4Å; I27-E71 PolarHBondContact N-O 3.47Å; T60-E71 HydrophobicContact CG2-CB 4.13Å; T60-E71 HydrophobicContact CG2-CG 4.41Å; F62-E71 HydrophobicContact CD1-CG 3.75Å; F62-E71 HydrophobicContact CE1-CG 3.77Å; F62-E71 WeakPolarHBondContact CE1-OE1 3.34Å; E71-L73 HydrophobicContact CB-CD2 4.06Å; E71-H128 IonicContact OE1-CE1 3.52Å; E71-H128 PolarHBondContact OE1-CE1 3.16Å; E71-H128 IonicContact OE1-NE2 3.38Å; E71-H128 PolarHBondContact OE1-NE2 2.98Å; E71-H128 VanDerWaalsContact OE1-NE2 3.13Å
72	L	98.9	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.8	173.9	-51.9	178.8	0	0	107.6	I27 L32 A35 Y39 T60 V61 V63 I70	I27-L72 HydrophobicContact CB-CD2 4.19Å; I27-L72 HydrophobicContact CD1-CD2 4.45Å; L32-L72 HydrophobicContact CD1-CB 3.61Å; L32-L72 WeakPolarHBondContact CD1-O 3.38Å; A35-L72 HydrophobicContact CB-CD1 4.02Å; Y39-L72 HydrophobicContact CD2-CD1 3.86Å; Y39-L72 HydrophobicContact CD2-CD2 4.08Å; Y39-L72 HydrophobicContact CE2-CD1 4.29Å; Y39-L72 HydrophobicContact CE2-CD2 3.65Å; T60-L72 CarbonylContact C-O 3.53Å; T60-L72 VanDerWaalsContact CA-O 3.32Å; T60-L72 WeakPolarHBondContact CA-O 3.32Å; V61-L72 HydrophobicContact CB-CB 4.23Å; V61-L72 HydrophobicContact CB-CD1 4.43Å; V61-L72 HydrophobicContact CG1-CD1 4.23Å; V61-L72 PolarHBondContact N-O 3.27Å; V61-L72 PolarHBondContact O-N 3.23Å; V63-L72 HydrophobicContact CG2-CD1 4.09Å; V63-L72 HydrophobicContact CG2-CG 4.22Å; I70-L72 HydrophobicContact CG2-CD2 3.78Å
73	L	98.8	Very high	97.2	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.052	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.3	-174.7	-54.1	-176.2	0	0	110.5	A26 I27 A28 C29 V58 T60 E71 I82	A26-L73 HydrophobicContact CB-CD1 3.81Å; A26-L73 HydrophobicContact CB-CG 4.32Å; I27-L73 PolarHBondContact O-N 3.33Å; A28-L73 CarbonylContact C-O 3.46Å; A28-L73 WeakPolarHBondContact CA-O 3.32Å; C29-L73 PolarHBondContact N-O 3.46Å; V58-L73 HydrophobicContact CG1-CB 4.49Å; V58-L73 HydrophobicContact CG2-CD2 4.38Å; T60-L73 HydrophobicContact CG2-CD2 3.75Å; T60-L73 WeakPolarHBondContact OG1-CD2 3.42Å; E71-L73 HydrophobicContact CB-CD2 4.06Å; L73-I82 HydrophobicContact CB-CD1 3.74Å; L73-I82 HydrophobicContact CD1-CG2 4.41Å
74	H	98.7	Very high	97.1	Very high	60 Å²	60	57.5 Å²	57.5	28%	0.278	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.7	170.1	-172.2	73.6	0	0	110.4	C29 P30 L32 V58 T59 L76	C29-H74 PolarHBondContact O-ND1 2.9Å; P30-H74 PolarHBondContact O-CE1 3.07Å; P30-H74 PolarHBondContact O-ND1 2.9Å; L32-H74 HydrophobicContact CB-CB 3.85Å; L32-H74 HydrophobicContact CD1-CB 4.32Å; L32-H74 HydrophobicContact CD2-CB 3.94Å; L32-H74 HydrophobicContact CG-CB 4.25Å; V58-H74 CarbonylContact C-O 3.16Å; V58-H74 WeakPolarHBondContact CA-O 3.46Å; V58-H74 WeakPolarHBondContact CB-O 3.36Å; T59-H74 PolarHBondContact N-O 3.1Å; T59-H74 PolarHBondContact O-N 2.88Å; H74-L76 PolarHBondContact O-N 3.45Å
75	P	98.6	Very high	97.1	Very high	33 Å²	33	56.9 Å²	56.9	21%	0.214	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	130.5	177.9	-25.7	34.3	0	0	112.4	S80 I82 L86	P75-S80 WeakPolarHBondContact CA-OG 3.16Å; P75-I82 HydrophobicContact CG-CD1 4.15Å; P75-I82 HydrophobicContact CG-CG1 4.06Å; P75-L86 HydrophobicContact CG-CD1 3.5Å
76	L	98.3	Very high	97.2	Very high	50 Å²	50	53.6 Å²	53.6	26%	0.262	32%	0.323	S	S	.	.			trans	-114.7	113.1	168.3	-178.2	65.7	0	0	108.6	D52 P54 G57 V58 H74	D52-L76 HydrophobicContact CB-CD2 3.76Å; P54-L76 HydrophobicContact CG-CD2 4.22Å; G57-L76 CarbonylContact C-O 3.59Å; G57-L76 WeakPolarHBondContact CA-O 3.22Å; G57-L76 PolarHBondContact O-N 2.91Å; V58-L76 VanDerWaalsContact C-CB 3.49Å; H74-L76 PolarHBondContact O-N 3.45Å
77	G	95.8	Very high	97.3	Very high	53 Å²	53	58.1 Å²	58.1	55%	0.546	32%	0.318	S	S	.	.	S	Bend	trans	76.4	165.5	-175.3	0	0	0	0	114.6	K79 S80	G77-K79 PolarHBondContact O-N 3.13Å; G77-K79 VanDerWaalsContact O-N 3.15Å; G77-S80 PolarHBondContact O-N 3.31Å
78	D	92.9	Very high	97.4	Very high	169 Å²	169	61 Å²	61	90%	0.904	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.5	-170.7	-60.9	-29.4	0	0	114.5
79	K	94.5	Very high	97.4	Very high	203 Å²	203	63.5 Å²	63.5	88%	0.883	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	19.6	-177.2	-62.2	-175.3	-178.2	178.2	113.1	G77	G77-K79 PolarHBondContact O-N 3.13Å; G77-K79 VanDerWaalsContact O-N 3.15Å
80	S	97.7	Very high	97.4	Very high	7 Å²	7	64.6 Å²	64.6	5%	0.049	36%	0.358	C	S	.	.			trans	-53.7	133	177.5	178.3	0	0	0	111.9	G57 P75 G77 I82 A83	G57-S80 WeakPolarHBondContact O-CB 3.48Å; G57-S80 PolarHBondContact O-OG 2.77Å; P75-S80 WeakPolarHBondContact CA-OG 3.16Å; G77-S80 PolarHBondContact O-N 3.31Å; S80-I82 PolarHBondContact O-N 3.06Å; S80-I82 VanDerWaalsContact OG-CG1 3.32Å; S80-I82 WeakPolarHBondContact OG-CG1 3.39Å; S80-I82 PolarHBondContact OG-N 2.97Å; S80-A83 WeakPolarHBondContact O-CB 3.45Å; S80-A83 PolarHBondContact O-N 3.22Å; S80-A83 VanDerWaalsContact O-N 3.13Å
81	P	95.3	Very high	97.4	Very high	92 Å²	92	68 Å²	68	60%	0.597	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23	179.7	26.1	-34.2	0	0	112.8	H56	H56-P81 WeakPolarHBondContact O-CD 3.42Å; H56-P81 VanDerWaalsContact O-CG 3.22Å; H56-P81 WeakPolarHBondContact O-CG 3.43Å
82	I	97.5	Very high	97.4	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.015	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6	-180	67.3	160.1	0	0	113.5	A28 V58 L73 P75 S80 G84 F85 L86	A28-I82 HydrophobicContact CB-CD1 4.19Å; V58-I82 HydrophobicContact CG1-CD1 4.01Å; V58-I82 HydrophobicContact CG1-CG1 3.94Å; V58-I82 HydrophobicContact CG1-CG2 4.35Å; L73-I82 HydrophobicContact CB-CD1 3.74Å; L73-I82 HydrophobicContact CD1-CG2 4.41Å; P75-I82 HydrophobicContact CG-CD1 4.15Å; P75-I82 HydrophobicContact CG-CG1 4.06Å; S80-I82 PolarHBondContact O-N 3.06Å; S80-I82 VanDerWaalsContact OG-CG1 3.32Å; S80-I82 WeakPolarHBondContact OG-CG1 3.39Å; S80-I82 PolarHBondContact OG-N 2.97Å; I82-G84 VanDerWaalsContact C-N 3.29Å; I82-G84 PolarHBondContact O-N 3Å; I82-F85 WeakPolarHBondContact O-CB 3.49Å; I82-F85 PolarHBondContact O-N 2.89Å; I82-L86 HydrophobicContact CD1-CD1 4.41Å; I82-L86 PolarHBondContact O-N 3.16Å
83	A	97.5	Very high	97.4	Very high	25 Å²	25	69.7 Å²	69.7	21%	0.207	41%	0.409	C	S	.	.	H	α-helix	trans	-60.6	-39.3	-179.6	0	0	0	0	112	S80 F85 L86 K87	S80-A83 WeakPolarHBondContact O-CB 3.45Å; S80-A83 PolarHBondContact O-N 3.22Å; S80-A83 VanDerWaalsContact O-N 3.13Å; A83-F85 VanDerWaalsContact C-N 3.3Å; A83-F85 PolarHBondContact O-N 3Å; A83-L86 PolarHBondContact O-N 3.43Å; A83-K87 WeakPolarHBondContact O-CG 3.4Å; A83-K87 PolarHBondContact O-N 2.82Å
84	G	96.6	Very high	97.3	Very high	40 Å²	40	76.2 Å²	76.2	41%	0.412	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-33.2	175.6	0	0	0	0	113.2	I82 K88	I82-G84 VanDerWaalsContact C-N 3.29Å; I82-G84 PolarHBondContact O-N 3Å; G84-K88 PolarHBondContact O-N 2.88Å
85	F	98.1	Very high	97.3	Very high	48 Å²	48	75 Å²	75	21%	0.211	44%	0.436	C	S	.	.	H	α-helix	trans	-68.7	-47.5	175.3	-177.3	-85.6	0	0	111	A28 I82 A83 K87 K88 N89 M94 H95	A28-F85 HydrophobicContact CB-CD1 3.68Å; A28-F85 HydrophobicContact CB-CE1 3.95Å; I82-F85 WeakPolarHBondContact O-CB 3.49Å; I82-F85 PolarHBondContact O-N 2.89Å; A83-F85 VanDerWaalsContact C-N 3.3Å; A83-F85 PolarHBondContact O-N 3Å; F85-K87 VanDerWaalsContact C-N 3.31Å; F85-K87 PolarHBondContact O-N 3.19Å; F85-K88 CarbonylContact O-C 3.47Å; F85-K88 PolarHBondContact O-N 2.99Å; F85-K88 VanDerWaalsContact O-N 3.07Å; F85-N89 HydrophobicContact CD1-CB 4.2Å; F85-N89 HydrophobicContact CE1-CB 3.83Å; F85-N89 HydrophobicContact CZ-CB 4.3Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.47Å; F85-N89 PolarHBondContact O-N 2.78Å; F85-N89 PolarHBondContact O-ND2 3.28Å; F85-N89 VanDerWaalsContact O-ND2 3.13Å; F85-M94 VanDerWaalsContact CZ-O 3.26Å; F85-M94 WeakPolarHBondContact CZ-O 3.36Å; F85-H95 AromaticContact CD2-CD2 3.67Å; F85-H95 AromaticContact CG-CD2 3.69Å
86	L	98.4	Very high	97.3	Very high	21 Å²	21	74.1 Å²	74.1	11%	0.11	43%	0.428	C	S	.	.	H	α-helix	trans	-66.8	-30.2	179.5	-72.5	175.8	0	0	113.1	A28 P30 P75 I82 A83 K88 N89 A90	A28-L86 HydrophobicContact CB-CD2 3.85Å; A28-L86 HydrophobicContact CB-CG 4.12Å; P30-L86 HydrophobicContact CB-CD2 4.5Å; P75-L86 HydrophobicContact CG-CD1 3.5Å; I82-L86 HydrophobicContact CD1-CD1 4.41Å; I82-L86 PolarHBondContact O-N 3.16Å; A83-L86 PolarHBondContact O-N 3.43Å; L86-K88 VanDerWaalsContact C-N 3.26Å; L86-K88 PolarHBondContact O-N 3.25Å; L86-N89 CarbonylContact O-C 3.59Å; L86-N89 PolarHBondContact O-N 3.27Å; L86-A90 WeakPolarHBondContact O-CA 3.17Å; L86-A90 PolarHBondContact O-N 3.46Å
87	K	97.6	Very high	97.4	Very high	180 Å²	180	74.1 Å²	74.1	78%	0.783	43%	0.428	S	S	*	.	H	α-helix	trans	-60.9	-36.1	170.3	-75.9	175.5	-177.3	179.8	112.5	A83 F85	A83-K87 WeakPolarHBondContact O-CG 3.4Å; A83-K87 PolarHBondContact O-N 2.82Å; F85-K87 VanDerWaalsContact C-N 3.31Å; F85-K87 PolarHBondContact O-N 3.19Å
88	K	97.8	Very high	97.5	Very high	179 Å²	179	71.6 Å²	71.6	78%	0.778	40%	0.402	S	S	*	.	H	α-helix	trans	-84.1	-29.1	177.8	-65.4	175.9	-176.6	178.1	112.4	G84 F85 L86	G84-K88 PolarHBondContact O-N 2.88Å; F85-K88 CarbonylContact O-C 3.47Å; F85-K88 PolarHBondContact O-N 2.99Å; F85-K88 VanDerWaalsContact O-N 3.07Å; L86-K88 VanDerWaalsContact C-N 3.26Å; L86-K88 PolarHBondContact O-N 3.25Å
89	N	98	Very high	97.8	Very high	67 Å²	67	65.1 Å²	65.1	36%	0.358	37%	0.367	S	S	.	.			trans	-125.9	75.9	-176.6	-56.5	-77.2	0	0	109.3	F85 L86 A91 G92	F85-N89 HydrophobicContact CD1-CB 4.2Å; F85-N89 HydrophobicContact CE1-CB 3.83Å; F85-N89 HydrophobicContact CZ-CB 4.3Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.47Å; F85-N89 PolarHBondContact O-N 2.78Å; F85-N89 PolarHBondContact O-ND2 3.28Å; F85-N89 VanDerWaalsContact O-ND2 3.13Å; L86-N89 CarbonylContact O-C 3.59Å; L86-N89 PolarHBondContact O-N 3.27Å; N89-A91 PolarHBondContact O-N 3Å; N89-A91 VanDerWaalsContact O-N 3.13Å; N89-G92 PolarHBondContact O-N 3.17Å
90	A	97.8	Very high	98	Very high	83 Å²	83	56.4 Å²	56.4	69%	0.686	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.3	-171.6	0	0	0	0	113.9	L86 G92	L86-A90 WeakPolarHBondContact O-CA 3.17Å; L86-A90 PolarHBondContact O-N 3.46Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-G92 PolarHBondContact O-N 3.13Å
91	A	97.9	Very high	98	Very high	97 Å²	97	56.1 Å²	56.1	80%	0.802	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.3	176	0	0	0	0	113.8	N89	N89-A91 PolarHBondContact O-N 3Å; N89-A91 VanDerWaalsContact O-N 3.13Å
92	G	98.5	Very high	98.1	Very high	17 Å²	17	55.5 Å²	55.5	18%	0.175	32%	0.319	C	S	.	.			trans	87.1	-172.2	-166.9	0	0	0	0	113	A28 N89 A90	A28-G92 CarbonylContact O-C 3.54Å; A28-G92 WeakPolarHBondContact O-CA 3.5Å; N89-G92 PolarHBondContact O-N 3.17Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-G92 PolarHBondContact O-N 3.13Å
93	G	98.4	Very high	98.1	Very high	26 Å²	26	57.3 Å²	57.3	27%	0.268	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	175.3	176.8	0	0	0	0	114.1	I27 A28 H95	I27-G93 CarbonylContact C-O 3.6Å; I27-G93 WeakPolarHBondContact CA-O 3.15Å; A28-G93 PolarHBondContact N-O 3.26Å; A28-G93 PolarHBondContact O-N 3.41Å; G93-H95 PolarHBondContact O-N 2.92Å
94	M	98.5	Very high	98.2	Very high	147 Å²	147	56.3 Å²	56.3	72%	0.724	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	121.6	175.1	-64.9	-176.2	-59.4	0	110.1	V25 F85	V25-M94 HydrophobicContact CG1-CG 4.4Å; F85-M94 VanDerWaalsContact CZ-O 3.26Å; F85-M94 WeakPolarHBondContact CZ-O 3.36Å
95	H	98.5	Very high	98.2	Very high	35 Å²	35	59.4 Å²	59.4	16%	0.162	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-49.7	-175.6	-179.4	-108.2	0	0	111.8	A26 A28 F85 G93	A26-H95 PolarHBondContact O-N 3.28Å; A28-H95 HydrophobicContact CB-CB 4.24Å; F85-H95 AromaticContact CD2-CD2 3.67Å; F85-H95 AromaticContact CG-CD2 3.69Å; G93-H95 PolarHBondContact O-N 2.92Å
96	H	98.6	Very high	98.2	Very high	14 Å²	14	62.1 Å²	62.1	7%	0.065	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	168.1	173.8	59.6	-105.9	0	0	111.7	H24 A26 F134 L144	H24-H96 AromaticContact NE2-CD2 3.74Å; H24-H96 AromaticContact NE2-NE2 3.28Å; H24-H96 PolarHBondContact NE2-NE2 2.88Å; A26-H96 WeakPolarHBondContact CB-CE1 3.48Å; A26-H96 WeakPolarHBondContact CB-NE2 3.05Å; A26-H96 PolarHBondContact N-O 2.96Å; H96-F134 HydrophobicContact CB-CE1 4.32Å; H96-F134 AromaticContact CE1-CE1 3.97Å; H96-F134 AromaticContact CG-CE1 3.86Å; H96-F134 AromaticContact ND1-CE1 3.74Å; H96-L144 VanDerWaalsContact CA-O 3.25Å; H96-L144 WeakPolarHBondContact CA-O 3.32Å; H96-L144 HydrophobicContact CB-CB 3.87Å; H96-L144 HydrophobicContact CB-CD2 3.95Å; H96-L144 HydrophobicContact CB-CG 3.74Å; H96-L144 WeakPolarHBondContact CB-O 3.19Å
97	I	98.8	Very high	98.2	Very high	50 Å²	50	61.1 Å²	61.1	26%	0.256	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.3	164.7	65.3	175.4	0	0	108.9	L22 V25 I99 V143 L144 I145 E146	L22-I97 HydrophobicContact CD1-CB 4.14Å; V25-I97 HydrophobicContact CG1-CG2 4.45Å; V25-I97 HydrophobicContact CG2-CG2 4.16Å; I97-I99 HydrophobicContact CD1-CD1 4.18Å; I97-V143 HydrophobicContact CD1-CG1 4.3Å; I97-V143 HydrophobicContact CG1-CG1 4.14Å; I97-L144 PolarHBondContact N-O 3.43Å; I97-I145 HydrophobicContact CD1-CG1 4.27Å; I97-I145 HydrophobicContact CG1-CG1 4.07Å; I97-I145 WeakPolarHBondContact O-CA 3.4Å; I97-E146 PolarHBondContact O-N 3.42Å
98	C	98.8	Very high	98.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.8	176.2	-178.6	0	0	0	110.9	L22 N23 H24 E146 E148	L22-C98 WeakPolarHBondContact CD1-O 3.44Å; N23-C98 HydrophobicContact CB-CB 4.18Å; N23-C98 PolarHBondContact N-O 3.14Å; H24-C98 WeakPolarHBondContact CE1-CB 3.37Å; H24-C98 VanDerWaalsContact CE1-SG 3.57Å; H24-C98 WeakPolarHBondContact ND1-CB 3.1Å; H24-C98 VanDerWaalsContact NE2-CB 3.32Å; H24-C98 WeakPolarHBondContact NE2-CB 3.33Å; H24-C98 PolarHBondContact O-N 3.05Å; C98-E146 CarbonylContact C-O 3.59Å; C98-E146 WeakPolarHBondContact CA-O 3.45Å; C98-E146 HydrophobicContact CB-CB 3.96Å; C98-E146 HydrophobicContact CB-CG 4.47Å; C98-E146 WeakPolarHBondContact CB-OE2 3.13Å; C98-E146 PolarHBondContact SG-OE2 2.81Å; C98-E148 VanDerWaalsContact SG-CB 3.51Å
99	I	98.7	Very high	98.1	Very high	33 Å²	33	48.2 Å²	48.2	17%	0.169	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.2	-178.3	-50.7	173.2	0	0	108.6	L19 I97 I145 E146 L147 E148	L19-I99 HydrophobicContact CD1-CG2 3.63Å; L19-I99 HydrophobicContact CD2-CG2 4.44Å; L19-I99 HydrophobicContact CG-CG2 3.9Å; I97-I99 HydrophobicContact CD1-CD1 4.18Å; I99-I145 HydrophobicContact CD1-CG2 4.22Å; I99-E146 PolarHBondContact N-O 3.28Å; I99-L147 WeakPolarHBondContact O-CA 3.31Å; I99-E148 PolarHBondContact O-N 3.39Å
100	E	98.5	Very high	98	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.098	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	150.4	179	-62.3	178.4	-179.6	0	111.4	G20 K21 N23 E148 A150	G20-E100 WeakPolarHBondContact CA-O 3.44Å; G20-E100 PolarHBondContact N-O 3.45Å; K21-E100 VanDerWaalsContact CE-CD 3.45Å; K21-E100 WeakPolarHBondContact CE-OE1 3.22Å; K21-E100 WeakPolarHBondContact CE-OE2 3.44Å; K21-E100 HydrophobicContact CG-CG 4.37Å; K21-E100 WeakPolarHBondContact CG-OE2 3.37Å; K21-E100 PolarHBondContact O-N 3.07Å; N23-E100 HydrophobicContact CB-CG 3.91Å; N23-E100 PolarHBondContact ND2-OE1 2.81Å; E100-E148 CarbonylContact C-O 3.45Å; E100-E148 VanDerWaalsContact CA-O 3.24Å; E100-E148 WeakPolarHBondContact CA-O 3.42Å; E100-A150 HydrophobicContact CB-CB 4.14Å
101	V	98.5	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.6	168.1	-66.8	0	0	0	109.4	F17 K18 L19 D103 I104 A107 L147 E148 Q149 A150	F17-V101 HydrophobicContact CD2-CB 4.02Å; F17-V101 HydrophobicContact CD2-CG1 3.77Å; F17-V101 HydrophobicContact CE2-CB 4.4Å; F17-V101 HydrophobicContact CE2-CG1 3.64Å; K18-V101 WeakPolarHBondContact O-CA 3.4Å; L19-V101 HydrophobicContact CD1-CG1 4.02Å; V101-D103 VanDerWaalsContact C-N 3.3Å; V101-D103 PolarHBondContact O-N 2.83Å; V101-I104 HydrophobicContact CG2-CB 4.14Å; V101-I104 HydrophobicContact CG2-CD1 3.67Å; V101-A107 HydrophobicContact CB-CB 3.97Å; V101-A107 HydrophobicContact CG1-CB 3.97Å; V101-A107 HydrophobicContact CG2-CB 3.81Å; V101-L147 HydrophobicContact CG1-CD2 4.17Å; V101-L147 HydrophobicContact CG2-CB 4.47Å; V101-E148 PolarHBondContact N-O 3.16Å; V101-Q149 CarbonylContact O-C 3.59Å; V101-A150 WeakPolarHBondContact O-CB 3.44Å; V101-A150 PolarHBondContact O-N 2.75Å
102	D	97.6	Very high	97.8	Very high	79 Å²	79	41.1 Å²	41.1	42%	0.422	22%	0.22	S	C	.	.	S	Bend	trans	-69	-25.5	-178.5	65.1	-18.8	0	0	114.3	F17 K18 Q149	F17-D102 WeakPolarHBondContact CA-OD1 3.22Å; F17-D102 WeakPolarHBondContact CB-OD1 3.42Å; K18-D102 HydrophobicContact CB-CB 4.2Å; K18-D102 VanDerWaalsContact CB-OD2 3.26Å; K18-D102 WeakPolarHBondContact CB-OD2 3.47Å; K18-D102 PolarHBondContact N-OD1 3.02Å; K18-D102 PolarHBondContact N-OD2 3.45Å; K18-D102 PolarHBondContact O-N 2.95Å; K18-D102 VanDerWaalsContact O-N 3.14Å; D102-Q149 PolarHBondContact O-NE2 2.88Å
103	D	97.8	Very high	97.6	Very high	41 Å²	41	44.9 Å²	44.9	22%	0.219	24%	0.244	C	C	.	.			trans	-145	102	176.8	-173.9	-37.4	0	0	109.1	V101 E105 K106 A107	V101-D103 VanDerWaalsContact C-N 3.3Å; V101-D103 PolarHBondContact O-N 2.83Å; D103-E105 VanDerWaalsContact C-N 3.35Å; D103-E105 PolarHBondContact O-N 2.77Å; D103-E105 PolarHBondContact OD1-N 2.85Å; D103-K106 HydrophobicContact CB-CB 4.04Å; D103-K106 HydrophobicContact CB-CD 4.22Å; D103-K106 HydrophobicContact CB-CG 4.31Å; D103-K106 PolarHBondContact O-N 2.89Å; D103-K106 PolarHBondContact OD1-N 2.84Å; D103-K106 VanDerWaalsContact OD2-CD 3.27Å; D103-K106 WeakPolarHBondContact OD2-CD 3.43Å; D103-K106 WeakPolarHBondContact OD2-CE 3.28Å; D103-K106 WeakPolarHBondContact OD2-CG 3.41Å; D103-K106 IonicContact OD2-NZ 3.77Å; D103-K106 PolarHBondContact OD2-NZ 3Å; D103-A107 VanDerWaalsContact O-CB 3.31Å; D103-A107 WeakPolarHBondContact O-CB 3.43Å; D103-A107 PolarHBondContact O-N 3.13Å
104	I	98	Very high	97.5	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-35.9	-175	-171.3	60.8	0	0	112.9	V101 A107 V108 T123 P131 M133 L147 Q149	V101-I104 HydrophobicContact CG2-CB 4.14Å; V101-I104 HydrophobicContact CG2-CD1 3.67Å; I104-A107 PolarHBondContact O-N 2.76Å; I104-V108 HydrophobicContact CD1-CG2 4.13Å; I104-V108 HydrophobicContact CG1-CG2 4.28Å; I104-V108 WeakPolarHBondContact O-CB 3.35Å; I104-V108 WeakPolarHBondContact O-CG2 3.38Å; I104-V108 PolarHBondContact O-N 2.79Å; I104-T123 HydrophobicContact CG1-CG2 3.77Å; I104-P131 HydrophobicContact CB-CB 4.48Å; I104-P131 HydrophobicContact CG1-CB 4.42Å; I104-P131 HydrophobicContact CG2-CB 3.64Å; I104-P131 HydrophobicContact CG2-CG 4.27Å; I104-M133 HydrophobicContact CD1-CB 4.47Å; I104-L147 HydrophobicContact CD1-CB 3.7Å; I104-L147 WeakPolarHBondContact CD1-O 3.1Å; I104-Q149 HydrophobicContact CB-CB 4.22Å; I104-Q149 HydrophobicContact CG2-CB 4.21Å
105	E	97.8	Very high	97.3	Very high	105 Å²	105	44.7 Å²	44.7	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-72	-41.2	-178.3	-64.6	-57.2	146.5	0	110.6	D103 S109 T123	D103-E105 VanDerWaalsContact C-N 3.35Å; D103-E105 PolarHBondContact O-N 2.77Å; D103-E105 PolarHBondContact OD1-N 2.85Å; E105-S109 WeakPolarHBondContact O-CB 3.46Å; E105-S109 PolarHBondContact O-N 3.38Å; E105-T123 VanDerWaalsContact OE1-CG2 3.28Å; E105-T123 WeakPolarHBondContact OE1-CG2 3.28Å; E105-T123 PolarHBondContact OE1-OG1 3.04Å
106	K	97.6	Very high	97.2	Very high	106 Å²	106	44.8 Å²	44.8	46%	0.461	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-41.3	171.3	-72.9	-173.3	-164.1	129.7	111.9	V16 F17 D103 S109 A110	V16-K106 HydrophobicContact CG1-CB 4.01Å; V16-K106 WeakPolarHBondContact O-CD 3.34Å; F17-K106 HydrophobicContact CB-CB 4.29Å; D103-K106 HydrophobicContact CB-CB 4.04Å; D103-K106 HydrophobicContact CB-CD 4.22Å; D103-K106 HydrophobicContact CB-CG 4.31Å; D103-K106 PolarHBondContact O-N 2.89Å; D103-K106 PolarHBondContact OD1-N 2.84Å; D103-K106 VanDerWaalsContact OD2-CD 3.27Å; D103-K106 WeakPolarHBondContact OD2-CD 3.43Å; D103-K106 WeakPolarHBondContact OD2-CE 3.28Å; D103-K106 WeakPolarHBondContact OD2-CG 3.41Å; D103-K106 IonicContact OD2-NZ 3.77Å; D103-K106 PolarHBondContact OD2-NZ 3Å; K106-S109 PolarHBondContact O-N 2.97Å; K106-A110 WeakPolarHBondContact O-CB 3.42Å; K106-A110 PolarHBondContact O-N 2.74Å
107	A	97.7	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-49.4	176.7	0	0	0	0	111.7	F17 V101 D103 I104 S109 A110 V111 L147	F17-A107 HydrophobicContact CB-CB 4.34Å; F17-A107 HydrophobicContact CD1-CB 3.99Å; F17-A107 HydrophobicContact CD2-CB 3.64Å; F17-A107 HydrophobicContact CE1-CB 4.14Å; F17-A107 HydrophobicContact CE2-CB 3.82Å; F17-A107 HydrophobicContact CG-CB 3.72Å; F17-A107 HydrophobicContact CZ-CB 4.06Å; V101-A107 HydrophobicContact CB-CB 3.97Å; V101-A107 HydrophobicContact CG1-CB 3.97Å; V101-A107 HydrophobicContact CG2-CB 3.81Å; D103-A107 VanDerWaalsContact O-CB 3.31Å; D103-A107 WeakPolarHBondContact O-CB 3.43Å; D103-A107 PolarHBondContact O-N 3.13Å; I104-A107 PolarHBondContact O-N 2.76Å; A107-S109 PolarHBondContact O-N 3.01Å; A107-A110 PolarHBondContact O-N 3.4Å; A107-V111 WeakPolarHBondContact O-CG1 3.49Å; A107-V111 WeakPolarHBondContact O-CG2 3.15Å; A107-V111 PolarHBondContact O-N 3.49Å; A107-L147 HydrophobicContact CB-CD1 4.33Å
108	V	97.6	Very high	97.2	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-45.9	178.9	171.9	0	0	0	111.2	I104 A110 V111 K112 T123 M133	I104-V108 HydrophobicContact CD1-CG2 4.13Å; I104-V108 HydrophobicContact CG1-CG2 4.28Å; I104-V108 WeakPolarHBondContact O-CB 3.35Å; I104-V108 WeakPolarHBondContact O-CG2 3.38Å; I104-V108 PolarHBondContact O-N 2.79Å; V108-A110 PolarHBondContact O-N 2.95Å; V108-V111 WeakPolarHBondContact O-CG2 3.47Å; V108-V111 PolarHBondContact O-N 3.06Å; V108-K112 HydrophobicContact CG1-CD 4.11Å; V108-K112 HydrophobicContact CG1-CG 4.44Å; V108-K112 WeakPolarHBondContact O-CB 3.32Å; V108-K112 WeakPolarHBondContact O-CG 3.4Å; V108-K112 PolarHBondContact O-N 2.82Å; V108-T123 HydrophobicContact CG2-CG2 3.97Å; V108-M133 HydrophobicContact CG1-CE 4.24Å; V108-M133 HydrophobicContact CG2-CB 3.52Å; V108-M133 HydrophobicContact CG2-CE 4.47Å; V108-M133 HydrophobicContact CG2-CG 3.77Å
109	S	96.4	Very high	97.1	Very high	79 Å²	79	52.1 Å²	52.1	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-59.8	-44.6	175.2	-177.7	0	0	0	112.1	E105 K106 A107 K112 S113	E105-S109 WeakPolarHBondContact O-CB 3.46Å; E105-S109 PolarHBondContact O-N 3.38Å; K106-S109 PolarHBondContact O-N 2.97Å; A107-S109 PolarHBondContact O-N 3.01Å; S109-K112 PolarHBondContact O-N 3.49Å; S109-S113 WeakPolarHBondContact O-CB 3.46Å; S109-S113 PolarHBondContact O-N 2.94Å; S109-S113 PolarHBondContact O-OG 3.35Å
110	A	95.9	Very high	97	Very high	8 Å²	8	52.6 Å²	52.6	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-37.6	-179.4	0	0	0	0	113.1	V16 F17 K106 A107 V108 S113 K114	V16-A110 HydrophobicContact CG1-CB 4.05Å; F17-A110 HydrophobicContact CD1-CB 3.91Å; F17-A110 HydrophobicContact CE1-CB 3.73Å; K106-A110 WeakPolarHBondContact O-CB 3.42Å; K106-A110 PolarHBondContact O-N 2.74Å; A107-A110 PolarHBondContact O-N 3.4Å; V108-A110 PolarHBondContact O-N 2.95Å; A110-S113 PolarHBondContact O-OG 3.44Å; A110-K114 WeakPolarHBondContact O-CD 3.34Å; A110-K114 WeakPolarHBondContact O-CG 3.35Å
111	V	95.7	Very high	96.8	Very high	19 Å²	19	59.3 Å²	59.3	12%	0.115	33%	0.33	C	S	.	.	H	α-helix	trans	-74.8	-40.2	177.1	-59.2	0	0	0	111.3	A107 V108 S113 K114 G115 V116 L135	A107-V111 WeakPolarHBondContact O-CG1 3.49Å; A107-V111 WeakPolarHBondContact O-CG2 3.15Å; A107-V111 PolarHBondContact O-N 3.49Å; V108-V111 WeakPolarHBondContact O-CG2 3.47Å; V108-V111 PolarHBondContact O-N 3.06Å; V111-S113 PolarHBondContact O-N 3.11Å; V111-K114 PolarHBondContact O-N 3.47Å; V111-K114 VanDerWaalsContact O-N 3.11Å; V111-G115 PolarHBondContact O-N 3.06Å; V111-V116 HydrophobicContact CB-CB 3.84Å; V111-V116 HydrophobicContact CB-CG1 4.21Å; V111-V116 HydrophobicContact CB-CG2 3.99Å; V111-V116 HydrophobicContact CG2-CB 4.39Å; V111-V116 HydrophobicContact CG2-CG1 4.48Å; V111-V116 VanDerWaalsContact O-CB 3.28Å; V111-V116 WeakPolarHBondContact O-CB 3.19Å; V111-V116 WeakPolarHBondContact O-CG2 3.1Å; V111-V116 PolarHBondContact O-N 2.8Å; V111-L135 HydrophobicContact CG2-CD2 3.97Å
112	K	95.8	Very high	96.8	Very high	70 Å²	70	67.4 Å²	67.4	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.2	-76.2	-173.5	175.9	-168.9	112	V108 S109 K114 G115 E121	V108-K112 HydrophobicContact CG1-CD 4.11Å; V108-K112 HydrophobicContact CG1-CG 4.44Å; V108-K112 WeakPolarHBondContact O-CB 3.32Å; V108-K112 WeakPolarHBondContact O-CG 3.4Å; V108-K112 PolarHBondContact O-N 2.82Å; S109-K112 PolarHBondContact O-N 3.49Å; K112-K114 PolarHBondContact O-N 2.61Å; K112-K114 VanDerWaalsContact O-N 3.16Å; K112-G115 PolarHBondContact O-N 2.76Å; K112-E121 PolarHBondContact NZ-O 3Å; K112-E121 IonicContact NZ-OE2 3.27Å
113	S	95.4	Very high	96.8	Very high	97 Å²	97	65.4 Å²	65.4	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-63.3	-19.4	176.9	62.6	0	0	0	113.9	S109 A110 V111	S109-S113 WeakPolarHBondContact O-CB 3.46Å; S109-S113 PolarHBondContact O-N 2.94Å; S109-S113 PolarHBondContact O-OG 3.35Å; A110-S113 PolarHBondContact O-OG 3.44Å; V111-S113 PolarHBondContact O-N 3.11Å
114	K	94.5	Very high	96.7	Very high	111 Å²	111	66.7 Å²	66.7	48%	0.483	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	7.9	174.4	-66	171.8	-174.9	176.7	113.2	A110 V111 K112 V116	A110-K114 WeakPolarHBondContact O-CD 3.34Å; A110-K114 WeakPolarHBondContact O-CG 3.35Å; V111-K114 PolarHBondContact O-N 3.47Å; V111-K114 VanDerWaalsContact O-N 3.11Å; K112-K114 PolarHBondContact O-N 2.61Å; K112-K114 VanDerWaalsContact O-N 3.16Å; K114-V116 VanDerWaalsContact C-N 3.32Å; K114-V116 PolarHBondContact O-N 2.78Å
115	G	95.3	Very high	96.7	Very high	58 Å²	58	71.4 Å²	71.4	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	13.4	179.5	0	0	0	0	114.5	V111 K112 Q117	V111-G115 PolarHBondContact O-N 3.06Å; K112-G115 PolarHBondContact O-N 2.76Å; G115-Q117 PolarHBondContact O-N 2.67Å
116	V	96.9	Very high	96.5	Very high	36 Å²	36	66.6 Å²	66.6	22%	0.218	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-69.6	126	170.7	179.8	0	0	0	108.4	V111 K114 L135	V111-V116 HydrophobicContact CB-CB 3.84Å; V111-V116 HydrophobicContact CB-CG1 4.21Å; V111-V116 HydrophobicContact CB-CG2 3.99Å; V111-V116 HydrophobicContact CG2-CB 4.39Å; V111-V116 HydrophobicContact CG2-CG1 4.48Å; V111-V116 VanDerWaalsContact O-CB 3.28Å; V111-V116 WeakPolarHBondContact O-CB 3.19Å; V111-V116 WeakPolarHBondContact O-CG2 3.1Å; V111-V116 PolarHBondContact O-N 2.8Å; K114-V116 VanDerWaalsContact C-N 3.32Å; K114-V116 PolarHBondContact O-N 2.78Å; V116-L135 HydrophobicContact CG1-CB 4.3Å; V116-L135 HydrophobicContact CG1-CD1 4.18Å; V116-L135 HydrophobicContact CG1-CD2 4.07Å; V116-L135 HydrophobicContact CG1-CG 4.41Å
117	Q	97.9	Very high	96.1	Very high	100 Å²	100	63.3 Å²	63.3	47%	0.467	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-78.2	129.5	178.1	-62.1	-173.6	-72.8	0	109.7	G115 H136 S139	G115-Q117 PolarHBondContact O-N 2.67Å; Q117-H136 HydrophobicContact CB-CB 3.75Å; Q117-H136 WeakPolarHBondContact O-CB 3.39Å; Q117-H136 PolarHBondContact O-N 3.46Å; Q117-S139 PolarHBondContact N-OG 2.98Å
118	C	98.1	Very high	95.8	Very high	28 Å²	28	65.8 Å²	65.8	19%	0.189	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-98.7	155.1	171.7	-68	0	0	0	110.4	A120 M133 F134	C118-A120 VanDerWaalsContact C-N 3.33Å; C118-M133 HydrophobicContact CB-CG 4.24Å; C118-M133 HydrophobicContact CB-SD 3.66Å; C118-F134 WeakPolarHBondContact CA-O 3.33Å
119	L	97	Very high	95.6	Very high	90 Å²	90	68 Å²	68	47%	0.471	40%	0.399	S	S	.	.	S	Bend	trans	-79.1	-16.7	174.4	-64.8	-165.8	0	0	113.6	F134 H136 L144	L119-F134 HydrophobicContact CB-CB 4.02Å; L119-F134 HydrophobicContact CD1-CB 3.66Å; L119-F134 HydrophobicContact CD1-CG 4.4Å; L119-F134 HydrophobicContact CG-CB 3.83Å; L119-F134 PolarHBondContact N-O 3.16Å; L119-H136 HydrophobicContact CD2-CB 3.72Å; L119-H136 WeakPolarHBondContact CD2-CD2 3.21Å; L119-L144 HydrophobicContact CD1-CD1 3.71Å; L119-L144 HydrophobicContact CG-CD1 4.47Å
120	A	96.6	Very high	95.6	Very high	44 Å²	44	67 Å²	67	36%	0.364	39%	0.385	S	S	.	.	S	Bend	trans	-138.4	159.6	-179.7	0	0	0	0	111.9	C118 M133	C118-A120 VanDerWaalsContact C-N 3.33Å; A120-M133 HydrophobicContact CB-CE 4.24Å; A120-M133 HydrophobicContact CB-SD 4.23Å; A120-M133 WeakPolarHBondContact O-CE 3.47Å
121	E	95.4	Very high	95.7	Very high	161 Å²	161	68.4 Å²	68.4	75%	0.752	39%	0.394	S	S	*	.	S	Bend	trans	-74.4	-38.2	176.8	-72.4	-54.8	149.9	0	112.8	K112	K112-E121 PolarHBondContact NZ-O 3Å; K112-E121 IonicContact NZ-OE2 3.27Å
122	K	97.1	Very high	95.9	Very high	171 Å²	171	67.6 Å²	67.6	74%	0.743	39%	0.389	S	S	*	.	S	Bend	trans	-125	158.2	-179.3	-62.5	-176	-179.7	-178.2	110.4	M133	K122-M133 VanDerWaalsContact O-CE 3.25Å; K122-M133 WeakPolarHBondContact O-CE 3.38Å
123	T	97.9	Very high	96	Very high	36 Å²	36	64.4 Å²	64.4	22%	0.221	38%	0.375	C	S	.	.			trans	-60.6	155.3	169.9	51.4	0	0	0	110.7	I104 E105 V108 V132 M133	I104-T123 HydrophobicContact CG1-CG2 3.77Å; E105-T123 VanDerWaalsContact OE1-CG2 3.28Å; E105-T123 WeakPolarHBondContact OE1-CG2 3.28Å; E105-T123 PolarHBondContact OE1-OG1 3.04Å; V108-T123 HydrophobicContact CG2-CG2 3.97Å; T123-V132 WeakPolarHBondContact CA-O 3.24Å; T123-M133 HydrophobicContact CG2-CB 4.43Å; T123-M133 HydrophobicContact CG2-CE 4.44Å
124	S	96.4	Very high	96.2	Very high	69 Å²	69	62.2 Å²	62.2	48%	0.483	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164.3	173.2	56.6	0	0	0	109.8	P131 V132	S124-P131 CarbonylContact O-C 3.58Å; S124-P131 WeakPolarHBondContact O-CA 3.44Å; S124-V132 PolarHBondContact N-O 3.14Å; S124-V132 VanDerWaalsContact N-O 3.13Å; S124-V132 WeakPolarHBondContact O-CG2 3.36Å; S124-V132 PolarHBondContact O-N 2.73Å
125	I	96.6	Very high	96.4	Very high	102 Å²	102	57.4 Å²	57.4	52%	0.523	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.5	172.9	-58.3	-55.6	0	0	109.2	H56 K130 P131	H56-I125 PolarHBondContact CE1-O 2.83Å; H56-I125 VanDerWaalsContact CE1-O 3.26Å; I125-K130 CarbonylContact C-O 3.51Å; I125-K130 WeakPolarHBondContact CA-O 3.45Å; I125-P131 HydrophobicContact CD1-CG 4.16Å
126	G	94.2	Very high	96.5	Very high	4 Å²	4	57.5 Å²	57.5	4%	0.041	32%	0.318	C	S	.	.			trans	-82.8	179.8	176	0	0	0	0	113.1	H128 G129 K130	G126-H128 PolarHBondContact O-N 3.33Å; G126-H128 VanDerWaalsContact O-N 3.17Å; G126-G129 PolarHBondContact O-N 3.44Å; G126-K130 PolarHBondContact N-O 3.21Å
127	A	89.8	Confident	96.5	Very high	37 Å²	37	57.6 Å²	57.6	31%	0.306	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.3	-176.5	0	0	0	0	113.6	L53 G129	L53-A127 HydrophobicContact CD1-CB 3.57Å; A127-G129 VanDerWaalsContact C-N 3.26Å; A127-G129 PolarHBondContact O-N 3.19Å
128	H	90.5	Very high	96.5	Very high	52 Å²	52	60.8 Å²	60.8	24%	0.241	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	9.2	176.5	-61.6	144.5	0	0	114.5	N23 H24 F62 E71 G126 K130 E148	N23-H128 PolarHBondContact OD1-CE1 2.84Å; N23-H128 PolarHBondContact OD1-ND1 3.13Å; H24-H128 AromaticContact ND1-CE1 3.66Å; F62-H128 AromaticContact CE1-NE2 3.6Å; E71-H128 IonicContact OE1-CE1 3.52Å; E71-H128 PolarHBondContact OE1-CE1 3.16Å; E71-H128 IonicContact OE1-NE2 3.38Å; E71-H128 PolarHBondContact OE1-NE2 2.98Å; E71-H128 VanDerWaalsContact OE1-NE2 3.13Å; G126-H128 PolarHBondContact O-N 3.33Å; G126-H128 VanDerWaalsContact O-N 3.17Å; H128-K130 PolarHBondContact O-N 2.91Å; H128-E148 IonicContact CG-OE2 3.57Å; H128-E148 IonicContact ND1-OE1 2.75Å; H128-E148 IonicContact ND1-OE2 3.6Å; H128-E148 PolarHBondContact ND1-OE2 2.89Å
129	G	93.4	Very high	96.5	Very high	55 Å²	55	61.6 Å²	61.6	57%	0.567	34%	0.337	S	S	*	.	S	Bend	trans	73.4	16	-179.4	0	0	0	0	113.9	G126 A127	G126-G129 PolarHBondContact O-N 3.44Å; A127-G129 VanDerWaalsContact C-N 3.26Å; A127-G129 PolarHBondContact O-N 3.19Å
130	K	97.6	Very high	96.5	Very high	58 Å²	58	58 Å²	58	25%	0.252	32%	0.32	S	S	.	.	S	Bend	trans	-114.2	153.4	-178.3	-63	-163.6	-175.1	172.6	112.2	I125 G126 H128 E148 Q149 A150	I125-K130 CarbonylContact C-O 3.51Å; I125-K130 WeakPolarHBondContact CA-O 3.45Å; G126-K130 PolarHBondContact N-O 3.21Å; H128-K130 PolarHBondContact O-N 2.91Å; K130-E148 HydrophobicContact CB-CG 3.95Å; K130-E148 HydrophobicContact CD-CG 4.24Å; K130-Q149 HydrophobicContact CB-CB 4.42Å; K130-Q149 WeakPolarHBondContact CD-O 3.27Å; K130-Q149 PolarHBondContact NZ-O 2.98Å; K130-A150 PolarHBondContact NZ-OXT 3.26Å
131	P	98.5	Very high	96.5	Very high	39 Å²	39	63.9 Å²	63.9	25%	0.253	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.1	172.6	-22.8	32.3	0	0	112.5	I104 S124 I125 Q149	I104-P131 HydrophobicContact CB-CB 4.48Å; I104-P131 HydrophobicContact CG1-CB 4.42Å; I104-P131 HydrophobicContact CG2-CB 3.64Å; I104-P131 HydrophobicContact CG2-CG 4.27Å; S124-P131 CarbonylContact O-C 3.58Å; S124-P131 WeakPolarHBondContact O-CA 3.44Å; I125-P131 HydrophobicContact CD1-CG 4.16Å; P131-Q149 HydrophobicContact CB-CB 4.34Å; P131-Q149 HydrophobicContact CG-CB 4.32Å; P131-Q149 PolarHBondContact O-N 3.07Å
132	V	98.7	Very high	96.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.6	178.9	-58.5	0	0	0	112.5	T123 S124 E146 L147 E148	T123-V132 WeakPolarHBondContact CA-O 3.24Å; S124-V132 PolarHBondContact N-O 3.14Å; S124-V132 VanDerWaalsContact N-O 3.13Å; S124-V132 WeakPolarHBondContact O-CG2 3.36Å; S124-V132 PolarHBondContact O-N 2.73Å; V132-E146 HydrophobicContact CB-CG 3.99Å; V132-E146 WeakPolarHBondContact CB-OE1 3.47Å; V132-E146 HydrophobicContact CG1-CG 4.25Å; V132-E146 WeakPolarHBondContact CG1-OE1 3.32Å; V132-L147 CarbonylContact C-O 3.57Å; V132-L147 WeakPolarHBondContact CA-O 3.14Å; V132-E148 HydrophobicContact CG1-CB 3.93Å; V132-E148 HydrophobicContact CG1-CG 3.86Å
133	M	98.6	Very high	96.5	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	129.9	167.3	176.1	58.3	68.2	0	110.7	I104 V108 C118 A120 K122 T123 L135 L147	I104-M133 HydrophobicContact CD1-CB 4.47Å; V108-M133 HydrophobicContact CG1-CE 4.24Å; V108-M133 HydrophobicContact CG2-CB 3.52Å; V108-M133 HydrophobicContact CG2-CE 4.47Å; V108-M133 HydrophobicContact CG2-CG 3.77Å; C118-M133 HydrophobicContact CB-CG 4.24Å; C118-M133 HydrophobicContact CB-SD 3.66Å; A120-M133 HydrophobicContact CB-CE 4.24Å; A120-M133 HydrophobicContact CB-SD 4.23Å; A120-M133 WeakPolarHBondContact O-CE 3.47Å; K122-M133 VanDerWaalsContact O-CE 3.25Å; K122-M133 WeakPolarHBondContact O-CE 3.38Å; T123-M133 HydrophobicContact CG2-CB 4.43Å; T123-M133 HydrophobicContact CG2-CE 4.44Å; M133-L135 HydrophobicContact CG-CD2 4.41Å; M133-L147 PolarHBondContact N-O 3.09Å; M133-L147 PolarHBondContact O-N 3.04Å
134	F	98.6	Very high	96.6	Very high	50 Å²	50	53.4 Å²	53.4	22%	0.219	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.4	171.1	-74.5	-88.3	0	0	111.7	H96 C118 L119 L144 I145 E146	H96-F134 HydrophobicContact CB-CE1 4.32Å; H96-F134 AromaticContact CE1-CE1 3.97Å; H96-F134 AromaticContact CG-CE1 3.86Å; H96-F134 AromaticContact ND1-CE1 3.74Å; C118-F134 WeakPolarHBondContact CA-O 3.33Å; L119-F134 HydrophobicContact CB-CB 4.02Å; L119-F134 HydrophobicContact CD1-CB 3.66Å; L119-F134 HydrophobicContact CD1-CG 4.4Å; L119-F134 HydrophobicContact CG-CB 3.83Å; L119-F134 PolarHBondContact N-O 3.16Å; F134-L144 HydrophobicContact CB-CD1 4.16Å; F134-L144 HydrophobicContact CD1-CD1 3.73Å; F134-L144 HydrophobicContact CD1-CD2 4.09Å; F134-L144 HydrophobicContact CD1-CG 3.79Å; F134-L144 HydrophobicContact CE1-CD2 4.29Å; F134-L144 HydrophobicContact CE1-CG 4.28Å; F134-L144 HydrophobicContact CG-CD1 4.37Å; F134-I145 CarbonylContact C-O 3.5Å; F134-I145 WeakPolarHBondContact CA-O 3.34Å; F134-E146 HydrophobicContact CD1-CB 3.9Å; F134-E146 HydrophobicContact CD1-CG 4.33Å; F134-E146 HydrophobicContact CD2-CG 4.44Å; F134-E146 HydrophobicContact CE1-CB 3.6Å; F134-E146 HydrophobicContact CE1-CG 3.97Å; F134-E146 HydrophobicContact CE2-CG 4.05Å; F134-E146 VanDerWaalsContact CE2-OE1 3.28Å; F134-E146 WeakPolarHBondContact CE2-OE1 3.31Å; F134-E146 HydrophobicContact CZ-CB 3.96Å; F134-E146 VanDerWaalsContact CZ-CD 3.5Å; F134-E146 HydrophobicContact CZ-CG 3.8Å; F134-E146 WeakPolarHBondContact CZ-OE1 3.45Å
135	L	98.7	Very high	96.7	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.058	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133	171.6	-49.1	-176.6	0	0	109.6	V111 V116 M133 L144 I145 L147	V111-L135 HydrophobicContact CG2-CD2 3.97Å; V116-L135 HydrophobicContact CG1-CB 4.3Å; V116-L135 HydrophobicContact CG1-CD1 4.18Å; V116-L135 HydrophobicContact CG1-CD2 4.07Å; V116-L135 HydrophobicContact CG1-CG 4.41Å; M133-L135 HydrophobicContact CG-CD2 4.41Å; L135-L144 WeakPolarHBondContact O-CD1 3.39Å; L135-I145 HydrophobicContact CB-CB 4.34Å; L135-I145 HydrophobicContact CD1-CB 4.29Å; L135-I145 HydrophobicContact CD1-CG2 4.21Å; L135-I145 HydrophobicContact CG-CB 4.48Å; L135-I145 PolarHBondContact N-O 2.99Å; L135-L147 HydrophobicContact CD1-CD1 4.21Å; L135-L147 HydrophobicContact CD1-CD2 4.49Å; L135-L147 HydrophobicContact CD1-CG 4.2Å; L135-L147 HydrophobicContact CD2-CD1 4.22Å; L135-L147 HydrophobicContact CG-CD1 4.47Å; L135-L147 HydrophobicContact CG-CG 4.34Å
136	H	98.2	Very high	96.8	Very high	59 Å²	59	47.3 Å²	47.3	27%	0.273	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-67.3	134.6	-176.1	-169.3	-72.2	0	0	110.5	Q117 L119 K138 S139	Q117-H136 HydrophobicContact CB-CB 3.75Å; Q117-H136 WeakPolarHBondContact O-CB 3.39Å; Q117-H136 PolarHBondContact O-N 3.46Å; L119-H136 HydrophobicContact CD2-CB 3.72Å; L119-H136 WeakPolarHBondContact CD2-CD2 3.21Å; H136-K138 VanDerWaalsContact CE1-CG 3.49Å; H136-K138 WeakPolarHBondContact CE1-CG 3.28Å; H136-K138 WeakPolarHBondContact ND1-CB 3.25Å; H136-K138 PolarHBondContact ND1-N 2.89Å; H136-K138 VanDerWaalsContact ND1-N 3.16Å; H136-K138 PolarHBondContact O-N 3.24Å; H136-S139 PolarHBondContact O-N 3.49Å
137	P	97.7	Very high	97	Very high	39 Å²	39	47.5 Å²	47.5	25%	0.253	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-53	-31.4	-177.2	-31.3	36.2	0	0	115.7	S139 C140 N141 G142 V143 L144	P137-S139 PolarHBondContact O-N 3.5Å; P137-C140 CarbonylContact O-C 3.48Å; P137-C140 PolarHBondContact O-N 2.85Å; P137-N141 PolarHBondContact O-N 3.35Å; P137-G142 WeakPolarHBondContact O-CA 3.26Å; P137-G142 PolarHBondContact O-N 2.89Å; P137-V143 WeakPolarHBondContact CA-O 2.93Å; P137-L144 HydrophobicContact CG-CB 4.13Å; P137-L144 HydrophobicContact CG-CD1 4.32Å
138	K	97.8	Very high	97.4	Very high	167 Å²	167	45.9 Å²	45.9	73%	0.726	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-54.8	-30.2	173.4	-75	175.7	-179.5	179.5	114.1	H136	H136-K138 VanDerWaalsContact CE1-CG 3.49Å; H136-K138 WeakPolarHBondContact CE1-CG 3.28Å; H136-K138 WeakPolarHBondContact ND1-CB 3.25Å; H136-K138 PolarHBondContact ND1-N 2.89Å; H136-K138 VanDerWaalsContact ND1-N 3.16Å; H136-K138 PolarHBondContact O-N 3.24Å
139	S	97.5	Very high	97.8	Very high	44 Å²	44	45.6 Å²	45.6	31%	0.308	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-92.8	-8.4	177.2	-62.4	0	0	0	113.4	Q117 H136 P137	Q117-S139 PolarHBondContact N-OG 2.98Å; H136-S139 PolarHBondContact O-N 3.49Å; P137-S139 PolarHBondContact O-N 3.5Å
140	C	96.8	Very high	98	Very high	15 Å²	15	46.5 Å²	46.5	10%	0.101	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	39.3	-167.4	-61.9	0	0	0	111.7	P137 G142 V143 I145	P137-C140 CarbonylContact O-C 3.48Å; P137-C140 PolarHBondContact O-N 2.85Å; C140-G142 PolarHBondContact O-N 3.46Å; C140-G142 VanDerWaalsContact O-N 3.1Å; C140-V143 WeakPolarHBondContact CB-O 3.32Å; C140-V143 WeakPolarHBondContact O-CB 3.4Å; C140-V143 PolarHBondContact O-N 2.99Å; C140-I145 HydrophobicContact CB-CD1 3.8Å; C140-I145 HydrophobicContact CB-CG1 4.08Å
141	N	95.9	Very high	98	Very high	167 Å²	167	46 Å²	46	89%	0.893	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	35.5	177.7	-63.2	97.1	0	0	114.3	P137 V143	P137-N141 PolarHBondContact O-N 3.35Å; N141-V143 VanDerWaalsContact C-N 3.31Å
142	G	96.2	Very high	97.9	Very high	62 Å²	62	46.3 Å²	46.3	64%	0.639	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-1.6	-179.5	0	0	0	0	114.8	P137 C140	P137-G142 WeakPolarHBondContact O-CA 3.26Å; P137-G142 PolarHBondContact O-N 2.89Å; C140-G142 PolarHBondContact O-N 3.46Å; C140-G142 VanDerWaalsContact O-N 3.1Å
143	V	98	Very high	97.9	Very high	61 Å²	61	48.8 Å²	48.8	37%	0.37	28%	0.283	S	S	.	.			trans	-92.3	131	176.5	-177.3	0	0	0	110	I97 P137 C140 N141 I145	I97-V143 HydrophobicContact CD1-CG1 4.3Å; I97-V143 HydrophobicContact CG1-CG1 4.14Å; P137-V143 WeakPolarHBondContact CA-O 2.93Å; C140-V143 WeakPolarHBondContact CB-O 3.32Å; C140-V143 WeakPolarHBondContact O-CB 3.4Å; C140-V143 PolarHBondContact O-N 2.99Å; N141-V143 VanDerWaalsContact C-N 3.31Å; V143-I145 HydrophobicContact CB-CG1 4.41Å; V143-I145 HydrophobicContact CG1-CG1 3.98Å; V143-I145 PolarHBondContact O-N 2.78Å
144	L	98.5	Very high	97.9	Very high	25 Å²	25	51.5 Å²	51.5	13%	0.131	30%	0.298	C	S	.	.			trans	-76.3	116.7	166	-178.8	59.6	0	0	108.1	H96 I97 L119 F134 L135 P137	H96-L144 VanDerWaalsContact CA-O 3.25Å; H96-L144 WeakPolarHBondContact CA-O 3.32Å; H96-L144 HydrophobicContact CB-CB 3.87Å; H96-L144 HydrophobicContact CB-CD2 3.95Å; H96-L144 HydrophobicContact CB-CG 3.74Å; H96-L144 WeakPolarHBondContact CB-O 3.19Å; I97-L144 PolarHBondContact N-O 3.43Å; L119-L144 HydrophobicContact CD1-CD1 3.71Å; L119-L144 HydrophobicContact CG-CD1 4.47Å; F134-L144 HydrophobicContact CB-CD1 4.16Å; F134-L144 HydrophobicContact CD1-CD1 3.73Å; F134-L144 HydrophobicContact CD1-CD2 4.09Å; F134-L144 HydrophobicContact CD1-CG 3.79Å; F134-L144 HydrophobicContact CE1-CD2 4.29Å; F134-L144 HydrophobicContact CE1-CG 4.28Å; F134-L144 HydrophobicContact CG-CD1 4.37Å; L135-L144 WeakPolarHBondContact O-CD1 3.39Å; P137-L144 HydrophobicContact CG-CB 4.13Å; P137-L144 HydrophobicContact CG-CD1 4.32Å
145	I	98.8	Very high	97.8	Very high	31 Å²	31	51.6 Å²	51.6	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.9	179	-60.6	-178.9	0	0	108.4	I97 I99 F134 L135 C140 V143 L147	I97-I145 HydrophobicContact CD1-CG1 4.27Å; I97-I145 HydrophobicContact CG1-CG1 4.07Å; I97-I145 WeakPolarHBondContact O-CA 3.4Å; I99-I145 HydrophobicContact CD1-CG2 4.22Å; F134-I145 CarbonylContact C-O 3.5Å; F134-I145 WeakPolarHBondContact CA-O 3.34Å; L135-I145 HydrophobicContact CB-CB 4.34Å; L135-I145 HydrophobicContact CD1-CB 4.29Å; L135-I145 HydrophobicContact CD1-CG2 4.21Å; L135-I145 HydrophobicContact CG-CB 4.48Å; L135-I145 PolarHBondContact N-O 2.99Å; C140-I145 HydrophobicContact CB-CD1 3.8Å; C140-I145 HydrophobicContact CB-CG1 4.08Å; V143-I145 HydrophobicContact CB-CG1 4.41Å; V143-I145 HydrophobicContact CG1-CG1 3.98Å; V143-I145 PolarHBondContact O-N 2.78Å; I145-L147 HydrophobicContact CG2-CD2 4.28Å
146	E	98.8	Very high	97.8	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.5	165.3	-170.9	178.5	-136.7	0	109.3	H24 I97 C98 I99 V132 F134	H24-E146 IonicContact CE1-OE2 3.65Å; H24-E146 PolarHBondContact CE1-OE2 3.23Å; H24-E146 VanDerWaalsContact CE1-OE2 3.27Å; H24-E146 IonicContact NE2-OE2 3Å; I97-E146 PolarHBondContact O-N 3.42Å; C98-E146 CarbonylContact C-O 3.59Å; C98-E146 WeakPolarHBondContact CA-O 3.45Å; C98-E146 HydrophobicContact CB-CB 3.96Å; C98-E146 HydrophobicContact CB-CG 4.47Å; C98-E146 WeakPolarHBondContact CB-OE2 3.13Å; C98-E146 PolarHBondContact SG-OE2 2.81Å; I99-E146 PolarHBondContact N-O 3.28Å; V132-E146 HydrophobicContact CB-CG 3.99Å; V132-E146 WeakPolarHBondContact CB-OE1 3.47Å; V132-E146 HydrophobicContact CG1-CG 4.25Å; V132-E146 WeakPolarHBondContact CG1-OE1 3.32Å; F134-E146 HydrophobicContact CD1-CB 3.9Å; F134-E146 HydrophobicContact CD1-CG 4.33Å; F134-E146 HydrophobicContact CD2-CG 4.44Å; F134-E146 HydrophobicContact CE1-CB 3.6Å; F134-E146 HydrophobicContact CE1-CG 3.97Å; F134-E146 HydrophobicContact CE2-CG 4.05Å; F134-E146 VanDerWaalsContact CE2-OE1 3.28Å; F134-E146 WeakPolarHBondContact CE2-OE1 3.31Å; F134-E146 HydrophobicContact CZ-CB 3.96Å; F134-E146 VanDerWaalsContact CZ-CD 3.5Å; F134-E146 HydrophobicContact CZ-CG 3.8Å; F134-E146 WeakPolarHBondContact CZ-OE1 3.45Å
147	L	98.8	Very high	97.7	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.7	162.8	-59.8	-177.6	0	0	108	I99 V101 I104 A107 V132 M133 L135 I145	I99-L147 WeakPolarHBondContact O-CA 3.31Å; V101-L147 HydrophobicContact CG1-CD2 4.17Å; V101-L147 HydrophobicContact CG2-CB 4.47Å; I104-L147 HydrophobicContact CD1-CB 3.7Å; I104-L147 WeakPolarHBondContact CD1-O 3.1Å; A107-L147 HydrophobicContact CB-CD1 4.33Å; V132-L147 CarbonylContact C-O 3.57Å; V132-L147 WeakPolarHBondContact CA-O 3.14Å; M133-L147 PolarHBondContact N-O 3.09Å; M133-L147 PolarHBondContact O-N 3.04Å; L135-L147 HydrophobicContact CD1-CD1 4.21Å; L135-L147 HydrophobicContact CD1-CD2 4.49Å; L135-L147 HydrophobicContact CD1-CG 4.2Å; L135-L147 HydrophobicContact CD2-CD1 4.22Å; L135-L147 HydrophobicContact CG-CD1 4.47Å; L135-L147 HydrophobicContact CG-CG 4.34Å; I145-L147 HydrophobicContact CG2-CD2 4.28Å
148	E	98.7	Very high	97.7	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.5	177	-177.8	-178.7	95.9	0	110	N23 C98 I99 E100 V101 H128 K130 V132 A150	N23-E148 PolarHBondContact ND2-OE1 2.93Å; C98-E148 VanDerWaalsContact SG-CB 3.51Å; I99-E148 PolarHBondContact O-N 3.39Å; E100-E148 CarbonylContact C-O 3.45Å; E100-E148 VanDerWaalsContact CA-O 3.24Å; E100-E148 WeakPolarHBondContact CA-O 3.42Å; V101-E148 PolarHBondContact N-O 3.16Å; H128-E148 IonicContact CG-OE2 3.57Å; H128-E148 IonicContact ND1-OE1 2.75Å; H128-E148 IonicContact ND1-OE2 3.6Å; H128-E148 PolarHBondContact ND1-OE2 2.89Å; K130-E148 HydrophobicContact CB-CG 3.95Å; K130-E148 HydrophobicContact CD-CG 4.24Å; V132-E148 HydrophobicContact CG1-CB 3.93Å; V132-E148 HydrophobicContact CG1-CG 3.86Å; E148-A150 PolarHBondContact O-N 3.25Å
149	Q	98.6	Very high	97.7	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	127.4	169.9	-179.4	57.4	61.5	0	110.8	V101 D102 I104 K130 P131	V101-Q149 CarbonylContact O-C 3.59Å; D102-Q149 PolarHBondContact O-NE2 2.88Å; I104-Q149 HydrophobicContact CB-CB 4.22Å; I104-Q149 HydrophobicContact CG2-CB 4.21Å; K130-Q149 HydrophobicContact CB-CB 4.42Å; K130-Q149 WeakPolarHBondContact CD-O 3.27Å; K130-Q149 PolarHBondContact NZ-O 2.98Å; P131-Q149 HydrophobicContact CB-CB 4.34Å; P131-Q149 HydrophobicContact CG-CB 4.32Å; P131-Q149 PolarHBondContact O-N 3.07Å
150	A	96.2	Very high	97.7	Very high	74 Å²	74	45.9 Å²	45.9	61%	0.612	29%	0.294	S	S	*	.			trans	-64	0	173.7	0	0	0	0	111.8	E100 V101 K130 E148	E100-A150 HydrophobicContact CB-CB 4.14Å; V101-A150 WeakPolarHBondContact O-CB 3.44Å; V101-A150 PolarHBondContact O-N 2.75Å; K130-A150 PolarHBondContact NZ-OXT 3.26Å; E148-A150 PolarHBondContact O-N 3.25Å

Retrieved 150 of 150 residues in 41.4 ms (Link to these results)

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