A0A096N5E1_PAPAN Loading...

Zinc finger protein 501

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096N5E1, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF501, Length 271 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	33.7	Very low	237 Å²	237	159.8 Å²	159.8	100%	1.167	87%	0.867	S	S	*	*				0	117.1	0	-77	165.5	140.1	0	0	107.4
2	N	27.5	Very low	34	Very low	171 Å²	171	162.1 Å²	162.1	91%	0.914	87%	0.867	S	S	*	*			trans	130.8	98.1	173.9	-73.1	-11.5	0	0	0	110.4
3	S	30.2	Very low	33.6	Very low	121 Å²	121	167.7 Å²	167.7	85%	0.846	87%	0.868	S	S	*	*			trans	-106.7	106.3	169.9	-71	0	0	0	0	109.8
4	S	32.3	Very low	34.3	Very low	117 Å²	117	172.9 Å²	172.9	82%	0.818	87%	0.871	S	S	*	*			trans	53	101.7	132.9	-46	0	0	0	0	119.9
5	Q	37.8	Very low	34.5	Very low	194 Å²	194	169.3 Å²	169.3	91%	0.907	86%	0.861	S	S	*	*			trans	-70.1	129.9	145.7	-69.6	-177.6	-29.2	0	0	109.6
6	I	38.2	Very low	35.1	Very low	153 Å²	153	167.6 Å²	167.6	79%	0.785	85%	0.854	S	S	*	*			trans	-156.6	121.6	134.8	-59.3	-167.4	0	0	0	107.8	L8	I6-L8 HydrophobicContact CG2-CD1 4.43Å
7	S	34.2	Very low	35.5	Very low	118 Å²	118	166.6 Å²	166.6	83%	0.825	85%	0.848	S	S	*	*			trans	-85.6	120.6	172	34.5	0	0	0	0	110.9
8	L	32.3	Very low	36.2	Very low	156 Å²	156	167.6 Å²	167.6	82%	0.817	85%	0.849	S	S	*	*			trans	-125.2	102.6	170.9	-95.5	156	0	0	0	109.7	I6	I6-L8 HydrophobicContact CG2-CD1 4.43Å
9	T	33.1	Very low	37.4	Very low	122 Å²	122	167.2 Å²	167.2	75%	0.748	84%	0.84	S	S	*	*			trans	-85.9	109	169.2	46.1	0	0	0	0	109.2	K11	T9-K11 PolarHBondContact O-N 2.76Å
10	M	33.3	Very low	38.7	Very low	174 Å²	174	168.3 Å²	168.3	86%	0.857	84%	0.84	S	S	*	*			trans	-69.2	97.4	168	-79.4	-80.4	-179.4	0	0	109.3	H12	M10-H12 PolarHBondContact O-N 3.5Å; M10-H12 VanDerWaalsContact O-N 3.12Å
11	K	31.8	Very low	40.3	Very low	195 Å²	195	163.6 Å²	163.6	85%	0.848	82%	0.822	S	S	*	*			trans	-69	102.2	168.5	-72	178.3	-180	173.8	0	109	T9 R13	T9-K11 PolarHBondContact O-N 2.76Å; K11-R13 PolarHBondContact O-N 3.22Å
12	H	37.4	Very low	42.2	Very low	187 Å²	187	154.1 Å²	154.1	87%	0.866	78%	0.778	S	S	*	*			trans	-62.7	99.4	162.2	-95.3	-91.2	0	0	0	109.1	M10 R14	M10-H12 PolarHBondContact O-N 3.5Å; M10-H12 VanDerWaalsContact O-N 3.12Å; H12-R14 PolarHBondContact O-N 3.18Å
13	R	29.7	Very low	45	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	76%	0.762	S	S	*	*			trans	-66.5	97	172.1	-160.2	178.4	-166.8	-173.3	3.9	108.3	K11 V15	K11-R13 PolarHBondContact O-N 3.22Å; R13-V15 PolarHBondContact O-N 3.36Å
14	R	42.5	Very low	47.7	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	72%	0.722	S	S	*	*			trans	-62.9	105.9	166.5	-96.3	-177.5	-180	166.7	1.1	108.1	H12 N16	H12-R14 PolarHBondContact O-N 3.18Å; R14-N16 PolarHBondContact O-N 2.81Å; R14-N16 VanDerWaalsContact O-N 3.07Å
15	V	37.3	Very low	50.2	Low	118 Å²	118	145.8 Å²	145.8	72%	0.715	72%	0.717	S	S	*	*			trans	-66	103.9	164.7	-179.5	0	0	0	0	107.2	R13 M17	R13-V15 PolarHBondContact O-N 3.36Å; V15-M17 HydrophobicContact CG1-CG 3.98Å; V15-M17 PolarHBondContact O-N 3.14Å; V15-M17 VanDerWaalsContact O-N 3.09Å
16	N	44.3	Very low	52.4	Low	142 Å²	142	141.7 Å²	141.7	76%	0.759	70%	0.698	S	S	*	*			trans	-78.9	85.8	175.1	-163.9	2	0	0	0	108.6	R14 Q18	R14-N16 PolarHBondContact O-N 2.81Å; R14-N16 VanDerWaalsContact O-N 3.07Å; N16-Q18 PolarHBondContact O-N 3.08Å
17	M	41.6	Very low	54.8	Low	152 Å²	152	136.9 Å²	136.9	75%	0.749	68%	0.677	S	S	*	*			trans	-73.9	103.9	168.5	-68.4	-134.7	105.7	0	0	108.9	V15 K19	V15-M17 HydrophobicContact CG1-CG 3.98Å; V15-M17 PolarHBondContact O-N 3.14Å; V15-M17 VanDerWaalsContact O-N 3.09Å; M17-K19 PolarHBondContact O-N 3.42Å
18	Q	49.2	Very low	57.1	Low	184 Å²	184	132.6 Å²	132.6	86%	0.86	65%	0.651	S	S	*	*			trans	-60.4	95.8	171.2	-69.5	178.7	-3.2	0	0	109.7	N16 K20	N16-Q18 PolarHBondContact O-N 3.08Å; Q18-K20 PolarHBondContact O-N 3.22Å
19	K	58.1	Low	59.5	Low	159 Å²	159	131 Å²	131	69%	0.691	64%	0.638	S	S	*	*			trans	-72.7	113.9	171.6	-75.2	-176.4	177.8	178.4	0	108.9	M17 P21	M17-K19 PolarHBondContact O-N 3.42Å; K19-P21 WeakPolarHBondContact O-CD 3.44Å
20	K	63.1	Low	62.1	Low	189 Å²	189	131.7 Å²	131.7	82%	0.822	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-56.9	123.4	177	-169	170.5	-176.8	175.2	0	110.2	Q18 S22	Q18-K20 PolarHBondContact O-N 3.22Å; K20-S22 PolarHBondContact O-N 3.42Å
21	P	72.7	Confident	64.7	Low	71 Å²	71	125.2 Å²	125.2	46%	0.461	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-60.6	128.3	178.9	-22.8	32.5	0	0	0	111.3	K19 F30 F31	K19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-F30 HydrophobicContact CB-CB 4.19Å; P21-F30 HydrophobicContact CB-CD1 4.03Å; P21-F31 CarbonylContact C-O 3.58Å; P21-F31 WeakPolarHBondContact CA-O 3.34Å
22	S	80.7	Confident	67.2	Low	37 Å²	37	120.8 Å²	120.8	26%	0.259	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	123.9	175.8	-58.1	0	0	0	0	109.7	K20 F31	K20-S22 PolarHBondContact O-N 3.42Å; S22-F31 PolarHBondContact N-O 3.02Å; S22-F31 PolarHBondContact O-N 3.3Å
23	K	84.5	Confident	69.5	Low	131 Å²	131	116.9 Å²	116.9	57%	0.57	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89	134.7	-179.6	-170.7	-178.5	177.6	-178	0	110.6	K29 F30	K23-K29 CarbonylContact C-O 3.59Å; K23-K29 WeakPolarHBondContact CA-O 3.2Å; K23-F30 HydrophobicContact CB-CD1 3.91Å; K23-F30 HydrophobicContact CB-CE1 3.73Å; K23-F30 HydrophobicContact CB-CZ 4.39Å; K23-F30 HydrophobicContact CD-CE1 3.98Å; K23-F30 HydrophobicContact CD-CZ 3.84Å; K23-F30 HydrophobicContact CG-CD1 4.24Å; K23-F30 HydrophobicContact CG-CE1 3.87Å; K23-F30 HydrophobicContact CG-CZ 4.03Å
24	C	87.4	Confident	72.1	Confident	0 Å²	0	115 Å²	115	0%	0	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-72.7	124.4	166.7	179.7	0	0	0	0	109.4	E26 G28 K29 F31 L37 H44	C24-E26 VanDerWaalsContact C-N 3.29Å; C24-E26 PolarHBondContact O-N 3.5Å; C24-G28 WeakPolarHBondContact O-CA 3.37Å; C24-G28 PolarHBondContact O-N 3.46Å; C24-K29 PolarHBondContact N-O 3.44Å; C24-F31 HydrophobicContact CB-CE2 4.14Å; C24-L37 HydrophobicContact CB-CD1 3.62Å; C24-H44 PolarHBondContact SG-NE2 2.99Å
25	S	84.4	Confident	74.1	Confident	104 Å²	104	107.1 Å²	107.1	73%	0.727	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.5	179.2	44.9	0	0	0	0	113.3
26	E	84.9	Confident	76.4	Confident	108 Å²	108	103.5 Å²	103.5	51%	0.505	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-31.4	-171.5	-63.4	172.6	-126	0	0	113.6	C24 H44	C24-E26 VanDerWaalsContact C-N 3.29Å; C24-E26 PolarHBondContact O-N 3.5Å; E26-H44 IonicContact OE1-CD2 3.76Å; E26-H44 WeakPolarHBondContact OE2-CB 3.35Å; E26-H44 IonicContact OE2-CD2 3.47Å; E26-H44 PolarHBondContact OE2-CD2 3.28Å; E26-H44 VanDerWaalsContact OE2-CD2 3.22Å; E26-H44 IonicContact OE2-CG 3.74Å
27	C	87.6	Confident	78.4	Confident	52 Å²	52	97.5 Å²	97.5	35%	0.351	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	3.5	-177.4	76.6	0	0	0	0	114.2	K29 H40	C27-K29 PolarHBondContact O-N 3.1Å; C27-K29 VanDerWaalsContact O-N 3.08Å; C27-K29 VanDerWaalsContact SG-CG 3.57Å; C27-H40 PolarHBondContact SG-NE2 3.38Å
28	G	82.4	Confident	80.5	Confident	27 Å²	27	93.5 Å²	93.5	28%	0.278	48%	0.476	S	S	.	.			trans	69.9	0.7	176.8	0	0	0	0	0	116.3	C24	C24-G28 WeakPolarHBondContact O-CA 3.37Å; C24-G28 PolarHBondContact O-N 3.46Å
29	K	84.6	Confident	82.2	Confident	122 Å²	122	88 Å²	88	53%	0.53	45%	0.45	S	S	.	.			trans	-68.5	140.7	-178.5	-71.4	-178.9	-178.5	-179.3	0	112.4	K23 C24 C27 F31	K23-K29 CarbonylContact C-O 3.59Å; K23-K29 WeakPolarHBondContact CA-O 3.2Å; C24-K29 PolarHBondContact N-O 3.44Å; C27-K29 PolarHBondContact O-N 3.1Å; C27-K29 VanDerWaalsContact O-N 3.08Å; C27-K29 VanDerWaalsContact SG-CG 3.57Å; K29-F31 HydrophobicContact CB-CE2 3.69Å; K29-F31 HydrophobicContact CB-CZ 3.98Å; K29-F31 WeakPolarHBondContact O-CD2 3.44Å; K29-F31 WeakPolarHBondContact O-CE2 3.38Å
30	F	87.7	Confident	83.5	Confident	138 Å²	138	81.3 Å²	81.3	61%	0.605	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.5	178.8	-67.2	-87.9	0	0	0	112.1	P21 K23	P21-F30 HydrophobicContact CB-CB 4.19Å; P21-F30 HydrophobicContact CB-CD1 4.03Å; K23-F30 HydrophobicContact CB-CD1 3.91Å; K23-F30 HydrophobicContact CB-CE1 3.73Å; K23-F30 HydrophobicContact CB-CZ 4.39Å; K23-F30 HydrophobicContact CD-CE1 3.98Å; K23-F30 HydrophobicContact CD-CZ 3.84Å; K23-F30 HydrophobicContact CG-CD1 4.24Å; K23-F30 HydrophobicContact CG-CE1 3.87Å; K23-F30 HydrophobicContact CG-CZ 4.03Å
31	F	86.9	Confident	84.5	Confident	38 Å²	38	74.6 Å²	74.6	17%	0.167	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.1	179.4	-62.1	-90.6	0	0	0	110	P21 S22 C24 K29 Q33 L37 H40	P21-F31 CarbonylContact C-O 3.58Å; P21-F31 WeakPolarHBondContact CA-O 3.34Å; S22-F31 PolarHBondContact N-O 3.02Å; S22-F31 PolarHBondContact O-N 3.3Å; C24-F31 HydrophobicContact CB-CE2 4.14Å; K29-F31 HydrophobicContact CB-CE2 3.69Å; K29-F31 HydrophobicContact CB-CZ 3.98Å; K29-F31 WeakPolarHBondContact O-CD2 3.44Å; K29-F31 WeakPolarHBondContact O-CE2 3.38Å; F31-Q33 VanDerWaalsContact C-N 3.26Å; F31-Q33 PolarHBondContact O-N 3.17Å; F31-L37 HydrophobicContact CB-CB 4Å; F31-L37 HydrophobicContact CD2-CB 3.94Å; F31-L37 HydrophobicContact CD2-CD1 3.59Å; F31-L37 HydrophobicContact CD2-CG 4.32Å; F31-L37 HydrophobicContact CE2-CD1 3.82Å; F31-L37 HydrophobicContact CG-CB 4Å; F31-L37 HydrophobicContact CG-CD1 4.48Å; F31-H40 HydrophobicContact CE1-CB 3.72Å; F31-H40 AromaticContact CE1-CG 3.94Å; F31-H40 HydrophobicContact CE2-CB 4.05Å; F31-H40 AromaticContact CE2-CD2 3.58Å; F31-H40 AromaticContact CE2-CG 3.75Å; F31-H40 HydrophobicContact CZ-CB 3.42Å; F31-H40 VanDerWaalsContact CZ-CB 3.42Å; F31-H40 AromaticContact CZ-CD2 3.49Å; F31-H40 VanDerWaalsContact CZ-CD2 3.49Å; F31-H40 WeakPolarHBondContact CZ-CD2 3.3Å; F31-H40 AromaticContact CZ-CG 3.17Å; F31-H40 AromaticContact CZ-ND1 3.58Å
32	T	84.5	Confident	85.2	Confident	101 Å²	101	73.8 Å²	73.8	62%	0.62	38%	0.381	S	S	*	.	S	Bend	trans	-76.1	-15.5	178.1	52.5	0	0	0	0	113.1
33	Q	86	Confident	85.4	Confident	106 Å²	106	75.9 Å²	75.9	50%	0.495	39%	0.388	S	S	.	.	S	Bend	trans	-131.5	138.6	179.8	-59.2	-178.8	8.3	0	0	110.6	F31 S35 S36 L37	F31-Q33 VanDerWaalsContact C-N 3.26Å; F31-Q33 PolarHBondContact O-N 3.17Å; Q33-S35 VanDerWaalsContact C-N 3.34Å; Q33-S35 PolarHBondContact O-N 3.37Å; Q33-S36 WeakPolarHBondContact O-CB 3.48Å; Q33-S36 PolarHBondContact O-N 3.1Å; Q33-L37 PolarHBondContact O-N 2.98Å
34	R	84.4	Confident	85.4	Confident	196 Å²	196	72.9 Å²	72.9	74%	0.74	38%	0.376	S	S	*	.	H	α-helix	trans	-63.1	-38.5	178.4	-170	174.8	178	101.9	-3.4	112.1	S36 L37 T38	R34-S36 VanDerWaalsContact C-N 3.3Å; R34-S36 PolarHBondContact O-N 2.74Å; R34-L37 WeakPolarHBondContact O-CB 3.45Å; R34-L37 PolarHBondContact O-N 3.15Å; R34-L37 VanDerWaalsContact O-N 3.14Å; R34-T38 PolarHBondContact O-N 3.37Å; R34-T38 PolarHBondContact O-OG1 3.4Å; R34-T38 VanDerWaalsContact O-OG1 3.11Å
35	S	84.9	Confident	85.4	Confident	75 Å²	75	80.8 Å²	80.8	52%	0.524	41%	0.406	S	S	.	.	H	α-helix	trans	-56.7	-41.6	174.5	50.8	0	0	0	0	112.6	Q33 T38 Q39	Q33-S35 VanDerWaalsContact C-N 3.34Å; Q33-S35 PolarHBondContact O-N 3.37Å; S35-T38 PolarHBondContact O-N 3.12Å; S35-Q39 WeakPolarHBondContact O-CB 3.5Å; S35-Q39 PolarHBondContact O-N 3.25Å
36	S	85.1	Confident	85.4	Confident	41 Å²	41	77.8 Å²	77.8	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-38.6	176.2	-58.9	0	0	0	0	112.3	Q33 R34 H40	Q33-S36 WeakPolarHBondContact O-CB 3.48Å; Q33-S36 PolarHBondContact O-N 3.1Å; R34-S36 VanDerWaalsContact C-N 3.3Å; R34-S36 PolarHBondContact O-N 2.74Å; S36-H40 VanDerWaalsContact O-CB 3.27Å; S36-H40 WeakPolarHBondContact O-CB 3.4Å; S36-H40 PolarHBondContact O-N 3.25Å
37	L	86.2	Confident	85.5	Confident	17 Å²	17	76.3 Å²	76.3	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-65.4	-46.5	173.4	174.7	59.6	0	0	0	111.4	C24 F31 Q33 R34 Q39 H40 Q41	C24-L37 HydrophobicContact CB-CD1 3.62Å; F31-L37 HydrophobicContact CB-CB 4Å; F31-L37 HydrophobicContact CD2-CB 3.94Å; F31-L37 HydrophobicContact CD2-CD1 3.59Å; F31-L37 HydrophobicContact CD2-CG 4.32Å; F31-L37 HydrophobicContact CE2-CD1 3.82Å; F31-L37 HydrophobicContact CG-CB 4Å; F31-L37 HydrophobicContact CG-CD1 4.48Å; Q33-L37 PolarHBondContact O-N 2.98Å; R34-L37 WeakPolarHBondContact O-CB 3.45Å; R34-L37 PolarHBondContact O-N 3.15Å; R34-L37 VanDerWaalsContact O-N 3.14Å; L37-Q39 VanDerWaalsContact C-N 3.34Å; L37-Q39 PolarHBondContact O-N 3.11Å; L37-H40 CarbonylContact O-C 3.45Å; L37-H40 WeakPolarHBondContact O-CA 3.34Å; L37-H40 WeakPolarHBondContact O-CB 3.37Å; L37-H40 PolarHBondContact O-N 2.95Å; L37-H40 VanDerWaalsContact O-N 3.07Å; L37-Q41 HydrophobicContact CD1-CG 4.24Å; L37-Q41 WeakPolarHBondContact O-CG 3.46Å; L37-Q41 PolarHBondContact O-N 2.9Å
38	T	84.5	Confident	85.6	Confident	68 Å²	68	79.1 Å²	79.1	42%	0.417	39%	0.391	S	S	.	.	H	α-helix	trans	-60.1	-43.9	176.8	-57.3	0	0	0	0	111.5	R34 S35 H40 Q41	R34-T38 PolarHBondContact O-N 3.37Å; R34-T38 PolarHBondContact O-OG1 3.4Å; R34-T38 VanDerWaalsContact O-OG1 3.11Å; S35-T38 PolarHBondContact O-N 3.12Å; T38-H40 VanDerWaalsContact C-N 3.3Å; T38-H40 PolarHBondContact O-N 3.34Å; T38-Q41 PolarHBondContact O-N 2.81Å
39	Q	84.9	Confident	85.9	Confident	68 Å²	68	81.2 Å²	81.2	32%	0.318	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-38.3	174	-178.8	179	82.9	0	0	111.8	S35 L37 R42 K61	S35-Q39 WeakPolarHBondContact O-CB 3.5Å; S35-Q39 PolarHBondContact O-N 3.25Å; L37-Q39 VanDerWaalsContact C-N 3.34Å; L37-Q39 PolarHBondContact O-N 3.11Å; Q39-R42 WeakPolarHBondContact O-CB 3.27Å; Q39-R42 PolarHBondContact O-N 3.36Å; Q39-K61 VanDerWaalsContact CD-CE 3.42Å; Q39-K61 HydrophobicContact CG-CG 4.44Å
40	H	85.7	Confident	86.2	Confident	19 Å²	19	78.6 Å²	78.6	9%	0.088	39%	0.387	C	S	.	.	H	α-helix	trans	-66.1	-38.7	176.8	171.1	74.4	0	0	0	112.6	C27 F31 S36 L37 T38 R42 I43 H44	C27-H40 PolarHBondContact SG-NE2 3.38Å; F31-H40 HydrophobicContact CE1-CB 3.72Å; F31-H40 AromaticContact CE1-CG 3.94Å; F31-H40 HydrophobicContact CE2-CB 4.05Å; F31-H40 AromaticContact CE2-CD2 3.58Å; F31-H40 AromaticContact CE2-CG 3.75Å; F31-H40 HydrophobicContact CZ-CB 3.42Å; F31-H40 VanDerWaalsContact CZ-CB 3.42Å; F31-H40 AromaticContact CZ-CD2 3.49Å; F31-H40 VanDerWaalsContact CZ-CD2 3.49Å; F31-H40 WeakPolarHBondContact CZ-CD2 3.3Å; F31-H40 AromaticContact CZ-CG 3.17Å; F31-H40 AromaticContact CZ-ND1 3.58Å; S36-H40 VanDerWaalsContact O-CB 3.27Å; S36-H40 WeakPolarHBondContact O-CB 3.4Å; S36-H40 PolarHBondContact O-N 3.25Å; L37-H40 CarbonylContact O-C 3.45Å; L37-H40 WeakPolarHBondContact O-CA 3.34Å; L37-H40 WeakPolarHBondContact O-CB 3.37Å; L37-H40 PolarHBondContact O-N 2.95Å; L37-H40 VanDerWaalsContact O-N 3.07Å; T38-H40 VanDerWaalsContact C-N 3.3Å; T38-H40 PolarHBondContact O-N 3.34Å; H40-R42 PolarHBondContact O-N 3.47Å; H40-I43 WeakPolarHBondContact O-CB 3.33Å; H40-I43 VanDerWaalsContact O-CG1 3.23Å; H40-I43 WeakPolarHBondContact O-CG1 3.48Å; H40-I43 PolarHBondContact O-N 3.17Å; H40-H44 AromaticContact NE2-NE2 3.39Å; H40-H44 PolarHBondContact NE2-NE2 3.49Å
41	Q	85.3	Confident	86.4	Confident	48 Å²	48	75.6 Å²	75.6	22%	0.224	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-24.8	179.3	-74.5	172.1	-43.5	0	0	113.4	L37 T38 I43 H44 R45	L37-Q41 HydrophobicContact CD1-CG 4.24Å; L37-Q41 WeakPolarHBondContact O-CG 3.46Å; L37-Q41 PolarHBondContact O-N 2.9Å; T38-Q41 PolarHBondContact O-N 2.81Å; Q41-I43 PolarHBondContact O-N 3.29Å; Q41-I43 VanDerWaalsContact O-N 3.07Å; Q41-H44 PolarHBondContact O-N 2.85Å; Q41-H44 VanDerWaalsContact O-N 3.11Å; Q41-R45 PolarHBondContact O-N 2.8Å
42	R	87.7	Confident	86.6	Confident	53 Å²	53	73.9 Å²	73.9	20%	0.2	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.4	170.1	-59.5	-177.7	-176.6	168.8	-0.5	113.2	Q39 H40 G46 E47 R60	Q39-R42 WeakPolarHBondContact O-CB 3.27Å; Q39-R42 PolarHBondContact O-N 3.36Å; H40-R42 PolarHBondContact O-N 3.47Å; R42-G46 PolarHBondContact O-N 3.07Å; R42-E47 HydrophobicContact CB-CB 4.15Å; R42-E47 HydrophobicContact CG-CB 4.25Å; R42-E47 PolarHBondContact O-N 3.31Å; R42-R60 PolarHBondContact NH1-O 2.96Å; R42-R60 VanDerWaalsContact NH1-O 3.1Å; R42-R60 PolarHBondContact O-NE 3.15Å
43	I	83.7	Confident	86.9	Confident	81 Å²	81	75.7 Å²	75.7	42%	0.415	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-45.7	176.6	-64	-179.2	0	0	0	111	H40 Q41 R60	H40-I43 WeakPolarHBondContact O-CB 3.33Å; H40-I43 VanDerWaalsContact O-CG1 3.23Å; H40-I43 WeakPolarHBondContact O-CG1 3.48Å; H40-I43 PolarHBondContact O-N 3.17Å; Q41-I43 PolarHBondContact O-N 3.29Å; Q41-I43 VanDerWaalsContact O-N 3.07Å; I43-R60 VanDerWaalsContact CA-CZ 3.47Å; I43-R60 PolarHBondContact O-NH2 3.14Å
44	H	85.6	Confident	87.1	Confident	69 Å²	69	76.2 Å²	76.2	32%	0.319	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-36.2	-175	-51.3	-51.2	0	0	0	112.1	C24 E26 H40 Q41 G46	C24-H44 PolarHBondContact SG-NE2 2.99Å; E26-H44 IonicContact OE1-CD2 3.76Å; E26-H44 WeakPolarHBondContact OE2-CB 3.35Å; E26-H44 IonicContact OE2-CD2 3.47Å; E26-H44 PolarHBondContact OE2-CD2 3.28Å; E26-H44 VanDerWaalsContact OE2-CD2 3.22Å; E26-H44 IonicContact OE2-CG 3.74Å; H40-H44 AromaticContact NE2-NE2 3.39Å; H40-H44 PolarHBondContact NE2-NE2 3.49Å; Q41-H44 PolarHBondContact O-N 2.85Å; Q41-H44 VanDerWaalsContact O-N 3.11Å; H44-G46 PolarHBondContact O-N 3.38Å
45	R	86.7	Confident	87.4	Confident	165 Å²	165	69.9 Å²	69.9	62%	0.623	37%	0.371	S	S	*	.	S	Bend	trans	-74.8	-8	176.2	-61.3	-176.6	177.9	-165.1	-5.1	114.4	Q41 E47	Q41-R45 PolarHBondContact O-N 2.8Å; R45-E47 HydrophobicContact CB-CG 3.88Å; R45-E47 WeakPolarHBondContact CD-OE1 3.25Å; R45-E47 IonicContact NH1-OE1 2.88Å; R45-E47 PolarHBondContact NH1-OE1 2.95Å; R45-E47 PolarHBondContact O-N 3.5Å; R45-E47 VanDerWaalsContact O-N 3.08Å
46	G	83.5	Confident	87.5	Confident	41 Å²	41	68.6 Å²	68.6	42%	0.423	37%	0.369	S	S	.	.			trans	71	-2.6	-175.4	0	0	0	0	0	115.1	R42 H44 K48	R42-G46 PolarHBondContact O-N 3.07Å; H44-G46 PolarHBondContact O-N 3.38Å; G46-K48 PolarHBondContact O-N 2.99Å
47	E	88.4	Confident	87.6	Confident	77 Å²	77	68.9 Å²	68.9	36%	0.36	37%	0.372	S	S	.	.			trans	-55.5	125	-176.8	-69.6	174	-158.7	0	0	112.4	R42 R45 R60	R42-E47 HydrophobicContact CB-CB 4.15Å; R42-E47 HydrophobicContact CG-CB 4.25Å; R42-E47 PolarHBondContact O-N 3.31Å; R45-E47 HydrophobicContact CB-CG 3.88Å; R45-E47 WeakPolarHBondContact CD-OE1 3.25Å; R45-E47 IonicContact NH1-OE1 2.88Å; R45-E47 PolarHBondContact NH1-OE1 2.95Å; R45-E47 PolarHBondContact O-N 3.5Å; R45-E47 VanDerWaalsContact O-N 3.08Å; E47-R60 WeakPolarHBondContact O-CG 3.41Å
48	K	88.1	Confident	87.8	Confident	112 Å²	112	70.6 Å²	70.6	49%	0.487	38%	0.384	S	S	.	.			trans	-128.9	76.2	175.5	-70.8	170.4	174	-173.4	0	110.1	G46 Y50 C58 F59 R60	G46-K48 PolarHBondContact O-N 2.99Å; K48-Y50 PolarHBondContact O-N 3.26Å; K48-Y50 VanDerWaalsContact O-N 3.14Å; K48-C58 HydrophobicContact CB-CB 3.52Å; K48-C58 HydrophobicContact CD-CB 3.95Å; K48-C58 WeakPolarHBondContact CD-O 3.23Å; K48-C58 HydrophobicContact CG-CB 4.37Å; K48-F59 CarbonylContact C-O 3.58Å; K48-F59 VanDerWaalsContact CA-O 3.32Å; K48-F59 WeakPolarHBondContact CA-O 3.46Å; K48-R60 HydrophobicContact CG-CG 3.8Å
49	P	89.3	Confident	88.1	Confident	71 Å²	71	69.3 Å²	69.3	46%	0.461	37%	0.373	S	S	.	.			trans	-67.9	-15.6	-168.6	-21.5	34.4	0	0	0	115.1
50	Y	92	Very high	88.2	Confident	67 Å²	67	69.8 Å²	69.8	26%	0.263	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.6	-172.9	-55.3	-76.5	0	0	0	109.8	K48 C58 F59 R60 Q62	K48-Y50 PolarHBondContact O-N 3.26Å; K48-Y50 VanDerWaalsContact O-N 3.14Å; Y50-C58 CarbonylContact O-C 3.56Å; Y50-C58 WeakPolarHBondContact O-CA 3.34Å; Y50-F59 WeakPolarHBondContact CD2-O 3.38Å; Y50-F59 PolarHBondContact N-O 3.24Å; Y50-F59 VanDerWaalsContact N-O 3.11Å; Y50-F59 PolarHBondContact O-N 2.86Å; Y50-R60 WeakPolarHBondContact CE2-O 3.42Å; Y50-Q62 HydrophobicContact CD1-CB 4Å; Y50-Q62 VanDerWaalsContact CD2-N 3.35Å; Y50-Q62 HydrophobicContact CE1-CB 3.72Å; Y50-Q62 HydrophobicContact CE1-CG 4.45Å; Y50-Q62 VanDerWaalsContact CE1-OE1 3.3Å; Y50-Q62 HydrophobicContact CE2-CB 4.45Å; Y50-Q62 VanDerWaalsContact CE2-N 3.28Å; Y50-Q62 HydrophobicContact CG-CB 4.46Å
51	V	90.3	Very high	88.4	Confident	75 Å²	75	72.7 Å²	72.7	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.8	-174.4	-171.9	0	0	0	0	110	C58	V51-C58 HydrophobicContact CG2-CB 4.4Å
52	C	92.5	Very high	88.6	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	39%	0.393	C	S	.	.			trans	-77.1	122.7	168.9	177.6	0	0	0	0	109.3	E54 C55 G56 S57 F59 L65 H68	C52-E54 VanDerWaalsContact C-N 3.29Å; C52-E54 PolarHBondContact O-N 3.43Å; C52-E54 PolarHBondContact SG-N 3.2Å; C52-C55 VanDerWaalsContact SG-SG 3.62Å; C52-G56 WeakPolarHBondContact O-CA 3.41Å; C52-G56 PolarHBondContact O-N 2.91Å; C52-S57 WeakPolarHBondContact CB-O 3.48Å; C52-S57 PolarHBondContact N-O 3.41Å; C52-F59 HydrophobicContact CB-CE2 4.33Å; C52-L65 HydrophobicContact CB-CD1 3.71Å; C52-H68 PolarHBondContact SG-NE2 3.37Å
53	T	91	Very high	88.7	Confident	140 Å²	140	75.6 Å²	75.6	86%	0.859	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.6	179.4	48.9	0	0	0	0	113.2
54	E	89	Confident	89.1	Confident	117 Å²	117	75 Å²	75	55%	0.547	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-36.7	-177.8	-64.2	-172.6	-140.6	0	0	113.8	C52 H72	C52-E54 VanDerWaalsContact C-N 3.29Å; C52-E54 PolarHBondContact O-N 3.43Å; C52-E54 PolarHBondContact SG-N 3.2Å; E54-H72 IonicContact OE1-CG 3.28Å; E54-H72 WeakPolarHBondContact OE2-CB 3.38Å; E54-H72 IonicContact OE2-CD2 3.95Å; E54-H72 IonicContact OE2-CE1 3.98Å; E54-H72 IonicContact OE2-CG 3.24Å; E54-H72 IonicContact OE2-ND1 3.05Å; E54-H72 PolarHBondContact OE2-ND1 3.41Å
55	C	91.2	Very high	89.4	Confident	62 Å²	62	72.4 Å²	72.4	42%	0.419	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	3.4	-176.9	69.7	0	0	0	0	114.7	C52 S57 H68	C52-C55 VanDerWaalsContact SG-SG 3.62Å; C55-S57 PolarHBondContact O-N 2.95Å; C55-S57 VanDerWaalsContact O-N 3.16Å; C55-S57 VanDerWaalsContact SG-CB 3.55Å; C55-S57 PolarHBondContact SG-OG 2.84Å; C55-H68 VanDerWaalsContact SG-CE1 3.54Å; C55-H68 PolarHBondContact SG-NE2 2.61Å
56	G	86.4	Confident	89.7	Confident	48 Å²	48	67.8 Å²	67.8	50%	0.495	38%	0.384	S	S	.	.			trans	70.2	5.8	-179.6	0	0	0	0	0	114.9	C52 C58	C52-G56 WeakPolarHBondContact O-CA 3.41Å; C52-G56 PolarHBondContact O-N 2.91Å; G56-C58 PolarHBondContact O-N 3.4Å; G56-C58 PolarHBondContact O-SG 3.46Å; G56-C58 VanDerWaalsContact O-SG 3.39Å
57	S	87.5	Confident	90	Very high	48 Å²	48	69.9 Å²	69.9	34%	0.336	38%	0.383	S	S	.	.			trans	-68.4	131.1	-179.4	-71.7	0	0	0	0	111.8	C52 C55 F59	C52-S57 WeakPolarHBondContact CB-O 3.48Å; C52-S57 PolarHBondContact N-O 3.41Å; C55-S57 PolarHBondContact O-N 2.95Å; C55-S57 VanDerWaalsContact O-N 3.16Å; C55-S57 VanDerWaalsContact SG-CB 3.55Å; C55-S57 PolarHBondContact SG-OG 2.84Å; S57-F59 WeakPolarHBondContact O-CD2 3.47Å; S57-F59 VanDerWaalsContact O-CE2 3.26Å; S57-F59 WeakPolarHBondContact O-CE2 3.37Å
58	C	90.6	Very high	90.2	Very high	52 Å²	52	67.4 Å²	67.4	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.7	-178.2	-48.1	0	0	0	0	113	K48 Y50 V51 G56	K48-C58 HydrophobicContact CB-CB 3.52Å; K48-C58 HydrophobicContact CD-CB 3.95Å; K48-C58 WeakPolarHBondContact CD-O 3.23Å; K48-C58 HydrophobicContact CG-CB 4.37Å; Y50-C58 CarbonylContact O-C 3.56Å; Y50-C58 WeakPolarHBondContact O-CA 3.34Å; V51-C58 HydrophobicContact CG2-CB 4.4Å; G56-C58 PolarHBondContact O-N 3.4Å; G56-C58 PolarHBondContact O-SG 3.46Å; G56-C58 VanDerWaalsContact O-SG 3.39Å
59	F	89.9	Confident	90.4	Very high	42 Å²	42	64.7 Å²	64.7	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.4	-175.4	-56.8	-87.5	0	0	0	111.7	K48 Y50 C52 S57 N64 L65 H68	K48-F59 CarbonylContact C-O 3.58Å; K48-F59 VanDerWaalsContact CA-O 3.32Å; K48-F59 WeakPolarHBondContact CA-O 3.46Å; Y50-F59 WeakPolarHBondContact CD2-O 3.38Å; Y50-F59 PolarHBondContact N-O 3.24Å; Y50-F59 VanDerWaalsContact N-O 3.11Å; Y50-F59 PolarHBondContact O-N 2.86Å; C52-F59 HydrophobicContact CB-CE2 4.33Å; S57-F59 WeakPolarHBondContact O-CD2 3.47Å; S57-F59 VanDerWaalsContact O-CE2 3.26Å; S57-F59 WeakPolarHBondContact O-CE2 3.37Å; F59-N64 HydrophobicContact CB-CB 4.18Å; F59-N64 HydrophobicContact CD1-CB 3.91Å; F59-N64 HydrophobicContact CG-CB 4.32Å; F59-L65 HydrophobicContact CB-CB 4.28Å; F59-L65 HydrophobicContact CD2-CB 3.81Å; F59-L65 HydrophobicContact CD2-CD1 3.73Å; F59-L65 HydrophobicContact CD2-CG 4.36Å; F59-L65 HydrophobicContact CE2-CD1 3.83Å; F59-L65 HydrophobicContact CG-CB 4.18Å; F59-H68 HydrophobicContact CE1-CB 3.8Å; F59-H68 HydrophobicContact CE2-CB 3.89Å; F59-H68 AromaticContact CE2-CD2 3.47Å; F59-H68 VanDerWaalsContact CE2-CD2 3.47Å; F59-H68 WeakPolarHBondContact CE2-CD2 2.86Å; F59-H68 AromaticContact CE2-CG 3.63Å; F59-H68 HydrophobicContact CZ-CB 3.37Å; F59-H68 AromaticContact CZ-CD2 3.49Å; F59-H68 VanDerWaalsContact CZ-CD2 3.49Å; F59-H68 WeakPolarHBondContact CZ-CD2 3.49Å; F59-H68 AromaticContact CZ-CE1 3.97Å; F59-H68 AromaticContact CZ-CG 3.15Å; F59-H68 AromaticContact CZ-ND1 3.5Å; F59-H68 WeakPolarHBondContact CZ-ND1 3.44Å; F59-H68 AromaticContact CZ-NE2 3.95Å
60	R	88.7	Confident	90.5	Very high	78 Å²	78	63.7 Å²	63.7	29%	0.294	35%	0.349	S	S	.	.	S	Bend	trans	-82.7	-20.5	179.2	-60.4	-169.4	167.5	156.3	-9	113.9	R42 I43 E47 K48 Y50	R42-R60 PolarHBondContact NH1-O 2.96Å; R42-R60 VanDerWaalsContact NH1-O 3.1Å; R42-R60 PolarHBondContact O-NE 3.15Å; I43-R60 VanDerWaalsContact CA-CZ 3.47Å; I43-R60 PolarHBondContact O-NH2 3.14Å; E47-R60 WeakPolarHBondContact O-CG 3.41Å; K48-R60 HydrophobicContact CG-CG 3.8Å; Y50-R60 WeakPolarHBondContact CE2-O 3.42Å
61	K	89.1	Confident	90.4	Very high	80 Å²	80	65.2 Å²	65.2	35%	0.348	36%	0.361	S	S	.	.	S	Bend	trans	-132.1	141.2	-178.3	-55.6	-167.3	-170.4	-160	0	110.2	Q39 S63 N64 L65	Q39-K61 VanDerWaalsContact CD-CE 3.42Å; Q39-K61 HydrophobicContact CG-CG 4.44Å; K61-S63 VanDerWaalsContact C-N 3.28Å; K61-S63 PolarHBondContact O-N 3.47Å; K61-N64 WeakPolarHBondContact O-CB 3.37Å; K61-N64 PolarHBondContact O-N 2.91Å; K61-N64 VanDerWaalsContact O-N 3.09Å; K61-L65 PolarHBondContact O-N 3.01Å
62	Q	90.2	Very high	90.4	Very high	88 Å²	88	64.8 Å²	64.8	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-57.3	-42	175.2	-177.4	58.3	47	0	0	111.8	Y50 N64 L65 T66	Y50-Q62 HydrophobicContact CD1-CB 4Å; Y50-Q62 VanDerWaalsContact CD2-N 3.35Å; Y50-Q62 HydrophobicContact CE1-CB 3.72Å; Y50-Q62 HydrophobicContact CE1-CG 4.45Å; Y50-Q62 VanDerWaalsContact CE1-OE1 3.3Å; Y50-Q62 HydrophobicContact CE2-CB 4.45Å; Y50-Q62 VanDerWaalsContact CE2-N 3.28Å; Y50-Q62 HydrophobicContact CG-CB 4.46Å; Q62-N64 PolarHBondContact O-N 3.2Å; Q62-N64 VanDerWaalsContact O-N 3.15Å; Q62-L65 WeakPolarHBondContact O-CB 3.48Å; Q62-L65 PolarHBondContact O-N 3.49Å; Q62-L65 VanDerWaalsContact O-N 3.08Å; Q62-T66 PolarHBondContact NE2-OG1 2.92Å; Q62-T66 PolarHBondContact O-N 2.98Å; Q62-T66 PolarHBondContact O-OG1 2.96Å
63	S	90.1	Very high	90.3	Very high	74 Å²	74	69.2 Å²	69.2	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-55.3	-34.3	177.5	58.4	0	0	0	0	113.3	K61 Q67	K61-S63 VanDerWaalsContact C-N 3.28Å; K61-S63 PolarHBondContact O-N 3.47Å; S63-Q67 WeakPolarHBondContact O-CB 3.16Å; S63-Q67 PolarHBondContact O-N 3.15Å
64	N	91.4	Very high	90.2	Very high	67 Å²	67	64.5 Å²	64.5	36%	0.358	36%	0.36	S	S	.	.	H	α-helix	trans	-76.9	-38.2	-179.6	-64.4	11.9	0	0	0	110.8	F59 K61 Q62 Q67 H68	F59-N64 HydrophobicContact CB-CB 4.18Å; F59-N64 HydrophobicContact CD1-CB 3.91Å; F59-N64 HydrophobicContact CG-CB 4.32Å; K61-N64 WeakPolarHBondContact O-CB 3.37Å; K61-N64 PolarHBondContact O-N 2.91Å; K61-N64 VanDerWaalsContact O-N 3.09Å; Q62-N64 PolarHBondContact O-N 3.2Å; Q62-N64 VanDerWaalsContact O-N 3.15Å; N64-Q67 PolarHBondContact O-N 3.12Å; N64-H68 VanDerWaalsContact O-CB 3.27Å; N64-H68 WeakPolarHBondContact O-CB 3.39Å; N64-H68 PolarHBondContact O-N 3.43Å
65	L	92.5	Very high	90.4	Very high	16 Å²	16	63.6 Å²	63.6	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-49.7	170.9	173.2	60.2	0	0	0	110.3	C52 F59 K61 Q62 Q67 H68 L69	C52-L65 HydrophobicContact CB-CD1 3.71Å; F59-L65 HydrophobicContact CB-CB 4.28Å; F59-L65 HydrophobicContact CD2-CB 3.81Å; F59-L65 HydrophobicContact CD2-CD1 3.73Å; F59-L65 HydrophobicContact CD2-CG 4.36Å; F59-L65 HydrophobicContact CE2-CD1 3.83Å; F59-L65 HydrophobicContact CG-CB 4.18Å; K61-L65 PolarHBondContact O-N 3.01Å; Q62-L65 WeakPolarHBondContact O-CB 3.48Å; Q62-L65 PolarHBondContact O-N 3.49Å; Q62-L65 VanDerWaalsContact O-N 3.08Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 PolarHBondContact O-N 3.22Å; L65-H68 CarbonylContact O-C 3.51Å; L65-H68 WeakPolarHBondContact O-CA 3.25Å; L65-H68 WeakPolarHBondContact O-CB 3.5Å; L65-H68 PolarHBondContact O-N 3.31Å; L65-L69 HydrophobicContact CD1-CD2 4.32Å; L65-L69 HydrophobicContact CD1-CG 4.24Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 3.26Å
66	T	91.6	Very high	90.5	Very high	67 Å²	67	66 Å²	66	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-57.5	-42.1	177.4	-58.8	0	0	0	0	112.2	Q62 L69	Q62-T66 PolarHBondContact NE2-OG1 2.92Å; Q62-T66 PolarHBondContact O-N 2.98Å; Q62-T66 PolarHBondContact O-OG1 2.96Å; T66-L69 PolarHBondContact O-N 2.78Å
67	Q	91.1	Very high	90.8	Very high	85 Å²	85	66.4 Å²	66.4	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-41.1	173.6	176.2	175.9	78.8	0	0	112.1	S63 N64 L65 R70 T89	S63-Q67 WeakPolarHBondContact O-CB 3.16Å; S63-Q67 PolarHBondContact O-N 3.15Å; N64-Q67 PolarHBondContact O-N 3.12Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 PolarHBondContact O-N 3.22Å; Q67-R70 VanDerWaalsContact O-CB 3.29Å; Q67-R70 WeakPolarHBondContact O-CB 3.31Å; Q67-R70 WeakPolarHBondContact O-CG 3.25Å; Q67-R70 PolarHBondContact O-N 3.31Å; Q67-T89 HydrophobicContact CG-CG2 3.93Å
68	H	91.6	Very high	91.2	Very high	25 Å²	25	67.1 Å²	67.1	12%	0.116	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-37.4	178.6	164.3	79.9	0	0	0	112.7	C52 C55 F59 N64 L65 R70 I71 H72	C52-H68 PolarHBondContact SG-NE2 3.37Å; C55-H68 VanDerWaalsContact SG-CE1 3.54Å; C55-H68 PolarHBondContact SG-NE2 2.61Å; F59-H68 HydrophobicContact CE1-CB 3.8Å; F59-H68 HydrophobicContact CE2-CB 3.89Å; F59-H68 AromaticContact CE2-CD2 3.47Å; F59-H68 VanDerWaalsContact CE2-CD2 3.47Å; F59-H68 WeakPolarHBondContact CE2-CD2 2.86Å; F59-H68 AromaticContact CE2-CG 3.63Å; F59-H68 HydrophobicContact CZ-CB 3.37Å; F59-H68 AromaticContact CZ-CD2 3.49Å; F59-H68 VanDerWaalsContact CZ-CD2 3.49Å; F59-H68 WeakPolarHBondContact CZ-CD2 3.49Å; F59-H68 AromaticContact CZ-CE1 3.97Å; F59-H68 AromaticContact CZ-CG 3.15Å; F59-H68 AromaticContact CZ-ND1 3.5Å; F59-H68 WeakPolarHBondContact CZ-ND1 3.44Å; F59-H68 AromaticContact CZ-NE2 3.95Å; N64-H68 VanDerWaalsContact O-CB 3.27Å; N64-H68 WeakPolarHBondContact O-CB 3.39Å; N64-H68 PolarHBondContact O-N 3.43Å; L65-H68 CarbonylContact O-C 3.51Å; L65-H68 WeakPolarHBondContact O-CA 3.25Å; L65-H68 WeakPolarHBondContact O-CB 3.5Å; L65-H68 PolarHBondContact O-N 3.31Å; H68-R70 PolarHBondContact O-N 3.34Å; H68-I71 VanDerWaalsContact O-CB 3.26Å; H68-I71 WeakPolarHBondContact O-CB 3.38Å; H68-I71 WeakPolarHBondContact O-CG1 3.37Å; H68-I71 PolarHBondContact O-N 3.26Å; H68-H72 AromaticContact CE1-NE2 3.88Å; H68-H72 AromaticContact NE2-CD2 3.93Å; H68-H72 AromaticContact NE2-NE2 3.5Å; H68-H72 PolarHBondContact NE2-NE2 3.12Å
69	L	91.6	Very high	91.4	Very high	56 Å²	56	71.9 Å²	71.9	29%	0.293	37%	0.365	S	S	.	.	H	α-helix	trans	-57.2	-23.2	176.7	-68.7	175.6	0	0	0	112.8	L65 T66 I71 H72 T73	L65-L69 HydrophobicContact CD1-CD2 4.32Å; L65-L69 HydrophobicContact CD1-CG 4.24Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 3.26Å; T66-L69 PolarHBondContact O-N 2.78Å; L69-I71 PolarHBondContact O-N 3.5Å; L69-H72 WeakPolarHBondContact O-CB 3.28Å; L69-H72 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 PolarHBondContact O-OG1 3.3Å
70	R	92.4	Very high	91.6	Very high	50 Å²	50	70.4 Å²	70.4	19%	0.189	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-18.4	173.1	-59.1	-173.2	176.1	148.5	6.5	114.5	Q67 H68 H72 T73 G74 E75 Q88	Q67-R70 VanDerWaalsContact O-CB 3.29Å; Q67-R70 WeakPolarHBondContact O-CB 3.31Å; Q67-R70 WeakPolarHBondContact O-CG 3.25Å; Q67-R70 PolarHBondContact O-N 3.31Å; H68-R70 PolarHBondContact O-N 3.34Å; R70-H72 VanDerWaalsContact C-N 3.32Å; R70-T73 WeakPolarHBondContact CA-OG1 3.5Å; R70-G74 WeakPolarHBondContact O-CA 3.5Å; R70-G74 PolarHBondContact O-N 2.77Å; R70-G74 VanDerWaalsContact O-N 3.09Å; R70-E75 HydrophobicContact CB-CB 4.39Å; R70-E75 HydrophobicContact CG-CB 4.23Å; R70-E75 IonicContact NE-OE2 3.33Å; R70-E75 PolarHBondContact NE-OE2 3.13Å; R70-E75 PolarHBondContact O-N 3.18Å; R70-Q88 HydrophobicContact CB-CB 4.41Å; R70-Q88 HydrophobicContact CB-CG 4.13Å; R70-Q88 PolarHBondContact NH1-O 3.09Å; R70-Q88 PolarHBondContact O-NE2 3.4Å
71	I	89.6	Confident	91.8	Very high	99 Å²	99	74.4 Å²	74.4	51%	0.508	39%	0.387	S	S	.	.	H	α-helix	trans	-69	-38.9	172.9	-61.3	174.3	0	0	0	109.8	H68 L69	H68-I71 VanDerWaalsContact O-CB 3.26Å; H68-I71 WeakPolarHBondContact O-CB 3.38Å; H68-I71 WeakPolarHBondContact O-CG1 3.37Å; H68-I71 PolarHBondContact O-N 3.26Å; L69-I71 PolarHBondContact O-N 3.5Å
72	H	91.1	Very high	92	Very high	66 Å²	66	76.1 Å²	76.1	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-78.3	-47.1	-179.4	-67.6	-74.9	0	0	0	112.1	E54 H68 L69 R70 G74	E54-H72 IonicContact OE1-CG 3.28Å; E54-H72 WeakPolarHBondContact OE2-CB 3.38Å; E54-H72 IonicContact OE2-CD2 3.95Å; E54-H72 IonicContact OE2-CE1 3.98Å; E54-H72 IonicContact OE2-CG 3.24Å; E54-H72 IonicContact OE2-ND1 3.05Å; E54-H72 PolarHBondContact OE2-ND1 3.41Å; H68-H72 AromaticContact CE1-NE2 3.88Å; H68-H72 AromaticContact NE2-CD2 3.93Å; H68-H72 AromaticContact NE2-NE2 3.5Å; H68-H72 PolarHBondContact NE2-NE2 3.12Å; L69-H72 WeakPolarHBondContact O-CB 3.28Å; L69-H72 PolarHBondContact O-N 3.37Å; R70-H72 VanDerWaalsContact C-N 3.32Å; H72-G74 VanDerWaalsContact C-N 3.27Å; H72-G74 PolarHBondContact O-N 3.37Å
73	T	90.5	Very high	92.2	Very high	93 Å²	93	73.9 Å²	73.9	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-76.4	-14.9	-179.3	64.6	0	0	0	0	113.5	L69 R70 E75	L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 PolarHBondContact O-OG1 3.3Å; R70-T73 WeakPolarHBondContact CA-OG1 3.5Å; T73-E75 PolarHBondContact O-N 2.6Å; T73-E75 WeakPolarHBondContact OG1-CB 3.42Å; T73-E75 PolarHBondContact OG1-N 3.43Å
74	G	89.3	Confident	92.2	Very high	41 Å²	41	80 Å²	80	42%	0.423	41%	0.41	S	S	.	.			trans	70.7	5.4	-173.7	0	0	0	0	0	114.4	R70 H72 K76	R70-G74 WeakPolarHBondContact O-CA 3.5Å; R70-G74 PolarHBondContact O-N 2.77Å; R70-G74 VanDerWaalsContact O-N 3.09Å; H72-G74 VanDerWaalsContact C-N 3.27Å; H72-G74 PolarHBondContact O-N 3.37Å; G74-K76 PolarHBondContact O-N 2.79Å
75	E	92.8	Very high	92.3	Very high	99 Å²	99	83 Å²	83	46%	0.463	42%	0.42	S	S	.	.			trans	-59.4	124.4	-178.1	-167.8	-160	174.6	0	0	111	R70 T73 P77	R70-E75 HydrophobicContact CB-CB 4.39Å; R70-E75 HydrophobicContact CG-CB 4.23Å; R70-E75 IonicContact NE-OE2 3.33Å; R70-E75 PolarHBondContact NE-OE2 3.13Å; R70-E75 PolarHBondContact O-N 3.18Å; T73-E75 PolarHBondContact O-N 2.6Å; T73-E75 WeakPolarHBondContact OG1-CB 3.42Å; T73-E75 PolarHBondContact OG1-N 3.43Å; E75-P77 HydrophobicContact CG-CG 3.96Å; E75-P77 WeakPolarHBondContact OE1-CG 3.4Å
76	K	92.8	Very high	92.4	Very high	112 Å²	112	83.4 Å²	83.4	49%	0.487	43%	0.425	S	S	.	.			trans	-127.3	79.7	179.7	-73.7	163.9	175.3	-178.6	0	110.3	G74 F78 A86 F87 Q88	G74-K76 PolarHBondContact O-N 2.79Å; K76-F78 PolarHBondContact O-N 3.29Å; K76-A86 HydrophobicContact CB-CB 3.6Å; K76-A86 HydrophobicContact CD-CB 4.39Å; K76-A86 WeakPolarHBondContact CD-O 3.14Å; K76-F87 CarbonylContact C-O 3.34Å; K76-F87 WeakPolarHBondContact CA-O 3.36Å; K76-Q88 HydrophobicContact CG-CG 4.19Å
77	P	93	Very high	92.5	Very high	56 Å²	56	81.8 Å²	81.8	36%	0.364	41%	0.413	S	S	.	.			trans	-67.2	-21.5	-172.6	-22.6	35.1	0	0	0	114.2	E75	E75-P77 HydrophobicContact CG-CG 3.96Å; E75-P77 WeakPolarHBondContact OE1-CG 3.4Å
78	F	94.9	Very high	92.5	Very high	63 Å²	63	80 Å²	80	28%	0.276	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	95	-170.5	-57.4	-81.9	0	0	0	110.4	K76 A86 F87 Q88 T89 K90 L93	K76-F78 PolarHBondContact O-N 3.29Å; F78-A86 CarbonylContact O-C 3.53Å; F78-A86 WeakPolarHBondContact O-CA 3.46Å; F78-F87 HydrophobicContact CB-CB 4.46Å; F78-F87 WeakPolarHBondContact CB-O 3.29Å; F78-F87 WeakPolarHBondContact CD2-O 3.42Å; F78-F87 PolarHBondContact N-O 3.06Å; F78-F87 VanDerWaalsContact N-O 3.08Å; F78-F87 PolarHBondContact O-N 3.35Å; F78-Q88 WeakPolarHBondContact CE2-O 3.39Å; F78-T89 VanDerWaalsContact CD2-CA 3.44Å; F78-K90 HydrophobicContact CD1-CB 3.9Å; F78-K90 HydrophobicContact CD1-CG 4.47Å; F78-K90 HydrophobicContact CE1-CB 3.74Å; F78-K90 HydrophobicContact CE1-CG 4.49Å; F78-K90 HydrophobicContact CG-CB 4.47Å; F78-K90 HydrophobicContact CZ-CB 4.18Å; F78-L93 HydrophobicContact CB-CB 4.14Å; F78-L93 HydrophobicContact CB-CD2 3.92Å
79	K	94.8	Very high	92.5	Very high	153 Å²	153	79.7 Å²	79.7	67%	0.665	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	144.1	179.3	-59.7	-176.7	-179.6	-179.1	0	111.4	A86 L93	K79-A86 HydrophobicContact CG-CB 4Å; K79-L93 WeakPolarHBondContact O-CD2 3.43Å
80	C	95.3	Very high	92.5	Very high	10 Å²	10	83.8 Å²	83.8	7%	0.068	42%	0.42	C	S	.	.			trans	-78.8	141	165.4	-175.6	0	0	0	0	108.9	E82 C83 K85 F87 L93	C80-E82 PolarHBondContact SG-N 3.29Å; C80-E82 VanDerWaalsContact SG-N 3.39Å; C80-C83 CarbonylContact C-O 3.58Å; C80-C83 VanDerWaalsContact SG-SG 3.69Å; C80-K85 WeakPolarHBondContact CB-O 3.34Å; C80-K85 PolarHBondContact N-O 3.49Å; C80-F87 HydrophobicContact CB-CE2 4.39Å; C80-L93 HydrophobicContact CB-CD1 4.01Å
81	N	93.2	Very high	92.5	Very high	162 Å²	162	85 Å²	85	87%	0.866	44%	0.44	S	S	*	.	S	Bend	trans	-89.8	-13.2	177	-66	-10.1	0	0	0	112.4
82	E	92.4	Very high	92.6	Very high	117 Å²	117	83.5 Å²	83.5	55%	0.547	43%	0.433	S	S	.	.	S	Bend	trans	-101.8	-10.1	-178	-60.6	-172.7	-134.7	0	0	113	C80 H100	C80-E82 PolarHBondContact SG-N 3.29Å; C80-E82 VanDerWaalsContact SG-N 3.39Å; E82-H100 WeakPolarHBondContact OE2-CB 3.49Å; E82-H100 IonicContact OE2-CG 2.59Å; E82-H100 VanDerWaalsContact OE2-CG 3.28Å; E82-H100 IonicContact OE2-ND1 2.88Å; E82-H100 PolarHBondContact OE2-ND1 3.09Å
83	C	94.1	Very high	92.8	Very high	40 Å²	40	81.5 Å²	81.5	27%	0.27	42%	0.424	S	S	.	.	S	Bend	trans	-154.4	167.9	171.8	70.9	0	0	0	0	111	C80 K85 H96	C80-C83 CarbonylContact C-O 3.58Å; C80-C83 VanDerWaalsContact SG-SG 3.69Å; C83-K85 PolarHBondContact O-N 3.22Å; C83-H96 PolarHBondContact SG-NE2 3Å
84	E	91.3	Very high	92.9	Very high	204 Å²	204	80.4 Å²	80.4	95%	0.953	42%	0.417	S	S	*	.	S	Bend	trans	-72.7	7.2	-177	-60.7	178.9	170.4	0	0	114.5
85	K	92.9	Very high	93.1	Very high	128 Å²	128	81.8 Å²	81.8	56%	0.557	41%	0.413	S	S	*	.			trans	-81	139.1	-176.5	-65.9	-179.2	179.5	174.1	0	111.7	C80 C83 F87	C80-K85 WeakPolarHBondContact CB-O 3.34Å; C80-K85 PolarHBondContact N-O 3.49Å; C83-K85 PolarHBondContact O-N 3.22Å; K85-F87 HydrophobicContact CB-CE2 4.05Å; K85-F87 HydrophobicContact CB-CZ 3.89Å
86	A	94.3	Very high	93.2	Very high	25 Å²	25	77.9 Å²	77.9	21%	0.207	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.8	174.4	0	0	0	0	0	111.8	K76 F78 K79	K76-A86 HydrophobicContact CB-CB 3.6Å; K76-A86 HydrophobicContact CD-CB 4.39Å; K76-A86 WeakPolarHBondContact CD-O 3.14Å; F78-A86 CarbonylContact O-C 3.53Å; F78-A86 WeakPolarHBondContact O-CA 3.46Å; K79-A86 HydrophobicContact CG-CB 4Å
87	F	93.3	Very high	93.3	Very high	33 Å²	33	75.1 Å²	75.1	15%	0.145	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.7	-171.9	-55.4	-82.7	0	0	0	111.9	K76 F78 C80 K85 T89 I92 L93 H96	K76-F87 CarbonylContact C-O 3.34Å; K76-F87 WeakPolarHBondContact CA-O 3.36Å; F78-F87 HydrophobicContact CB-CB 4.46Å; F78-F87 WeakPolarHBondContact CB-O 3.29Å; F78-F87 WeakPolarHBondContact CD2-O 3.42Å; F78-F87 PolarHBondContact N-O 3.06Å; F78-F87 VanDerWaalsContact N-O 3.08Å; F78-F87 PolarHBondContact O-N 3.35Å; C80-F87 HydrophobicContact CB-CE2 4.39Å; K85-F87 HydrophobicContact CB-CE2 4.05Å; K85-F87 HydrophobicContact CB-CZ 3.89Å; F87-T89 VanDerWaalsContact C-N 3.31Å; F87-T89 PolarHBondContact O-N 3.39Å; F87-I92 HydrophobicContact CB-CB 4.29Å; F87-I92 HydrophobicContact CB-CG2 4.19Å; F87-I92 HydrophobicContact CD1-CB 4.36Å; F87-I92 HydrophobicContact CD1-CG2 3.39Å; F87-I92 HydrophobicContact CE1-CG2 4.09Å; F87-I92 HydrophobicContact CG-CG2 4.01Å; F87-L93 HydrophobicContact CB-CB 4.35Å; F87-L93 HydrophobicContact CD2-CB 3.89Å; F87-L93 HydrophobicContact CD2-CD1 3.7Å; F87-L93 HydrophobicContact CD2-CG 4.4Å; F87-L93 HydrophobicContact CE2-CD1 3.88Å; F87-L93 HydrophobicContact CG-CB 4.36Å; F87-H96 HydrophobicContact CE1-CB 3.96Å; F87-H96 HydrophobicContact CE2-CB 3.84Å; F87-H96 AromaticContact CE2-CD2 3.25Å; F87-H96 WeakPolarHBondContact CE2-CD2 3.42Å; F87-H96 AromaticContact CE2-CG 3.53Å; F87-H96 AromaticContact CE2-NE2 3.89Å; F87-H96 HydrophobicContact CZ-CB 3.47Å; F87-H96 VanDerWaalsContact CZ-CB 3.47Å; F87-H96 AromaticContact CZ-CD2 3.32Å; F87-H96 WeakPolarHBondContact CZ-CD2 3.43Å; F87-H96 AromaticContact CZ-CE1 3.95Å; F87-H96 AromaticContact CZ-CG 3.13Å; F87-H96 AromaticContact CZ-ND1 3.57Å; F87-H96 AromaticContact CZ-NE2 3.79Å
88	Q	91.5	Very high	93.3	Very high	49 Å²	49	74.5 Å²	74.5	23%	0.229	38%	0.375	C	S	.	.	S	Bend	trans	-74.6	-21.8	-179.4	-67.7	171	-2.1	0	0	112.9	R70 K76 F78	R70-Q88 HydrophobicContact CB-CB 4.41Å; R70-Q88 HydrophobicContact CB-CG 4.13Å; R70-Q88 PolarHBondContact NH1-O 3.09Å; R70-Q88 PolarHBondContact O-NE2 3.4Å; K76-Q88 HydrophobicContact CG-CG 4.19Å; F78-Q88 WeakPolarHBondContact CE2-O 3.39Å
89	T	91.3	Very high	93.2	Very high	17 Å²	17	77.4 Å²	77.4	10%	0.104	39%	0.392	C	S	.	.	S	Bend	trans	-140.4	148.3	-176.4	81.1	0	0	0	0	111.4	Q67 F78 F87 A91 I92 L93	Q67-T89 HydrophobicContact CG-CG2 3.93Å; F78-T89 VanDerWaalsContact CD2-CA 3.44Å; F87-T89 VanDerWaalsContact C-N 3.31Å; F87-T89 PolarHBondContact O-N 3.39Å; T89-A91 VanDerWaalsContact C-N 3.26Å; T89-A91 PolarHBondContact O-N 3.28Å; T89-I92 HydrophobicContact CG2-CD1 4.24Å; T89-I92 PolarHBondContact O-N 3.25Å; T89-I92 WeakPolarHBondContact OG1-CD1 3.41Å; T89-I92 VanDerWaalsContact OG1-CG1 3.28Å; T89-I92 WeakPolarHBondContact OG1-CG1 3.46Å; T89-I92 PolarHBondContact OG1-N 3.06Å; T89-L93 PolarHBondContact O-N 3.34Å
90	K	92.7	Very high	93.1	Very high	142 Å²	142	73.3 Å²	73.3	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-59	-36.6	175.1	-171.7	174.3	-179.5	176.5	0	112.5	F78 I92 L93 V94	F78-K90 HydrophobicContact CD1-CB 3.9Å; F78-K90 HydrophobicContact CD1-CG 4.47Å; F78-K90 HydrophobicContact CE1-CB 3.74Å; F78-K90 HydrophobicContact CE1-CG 4.49Å; F78-K90 HydrophobicContact CG-CB 4.47Å; F78-K90 HydrophobicContact CZ-CB 4.18Å; K90-I92 VanDerWaalsContact C-N 3.35Å; K90-I92 PolarHBondContact O-N 2.89Å; K90-L93 PolarHBondContact O-N 3.25Å; K90-V94 HydrophobicContact CG-CG2 4.42Å; K90-V94 WeakPolarHBondContact O-CG2 3.45Å; K90-V94 PolarHBondContact O-N 3.14Å
91	A	91.4	Very high	93	Very high	75 Å²	75	77.2 Å²	77.2	62%	0.62	40%	0.399	S	S	*	.	H	α-helix	trans	-63	-40.9	-179.9	0	0	0	0	0	112.2	T89 V94 Q95	T89-A91 VanDerWaalsContact C-N 3.26Å; T89-A91 PolarHBondContact O-N 3.28Å; A91-V94 PolarHBondContact O-N 2.97Å; A91-Q95 WeakPolarHBondContact O-CB 3.41Å; A91-Q95 PolarHBondContact O-N 3.3Å
92	I	92.4	Very high	93	Very high	69 Å²	69	71.6 Å²	71.6	35%	0.354	38%	0.379	S	S	.	.	H	α-helix	trans	-68.9	-40.1	176.7	-61.9	166.9	0	0	0	110.3	F87 T89 K90 Q95 H96	F87-I92 HydrophobicContact CB-CB 4.29Å; F87-I92 HydrophobicContact CB-CG2 4.19Å; F87-I92 HydrophobicContact CD1-CB 4.36Å; F87-I92 HydrophobicContact CD1-CG2 3.39Å; F87-I92 HydrophobicContact CE1-CG2 4.09Å; F87-I92 HydrophobicContact CG-CG2 4.01Å; T89-I92 HydrophobicContact CG2-CD1 4.24Å; T89-I92 PolarHBondContact O-N 3.25Å; T89-I92 WeakPolarHBondContact OG1-CD1 3.41Å; T89-I92 VanDerWaalsContact OG1-CG1 3.28Å; T89-I92 WeakPolarHBondContact OG1-CG1 3.46Å; T89-I92 PolarHBondContact OG1-N 3.06Å; K90-I92 VanDerWaalsContact C-N 3.35Å; K90-I92 PolarHBondContact O-N 2.89Å; I92-Q95 PolarHBondContact O-N 2.84Å; I92-H96 WeakPolarHBondContact O-CB 3.38Å; I92-H96 PolarHBondContact O-N 3.42Å
93	L	94.8	Very high	93.1	Very high	23 Å²	23	70.7 Å²	70.7	12%	0.12	38%	0.375	C	S	.	.	H	α-helix	trans	-58.5	-49.3	173.6	172.3	62.3	0	0	0	111.3	F78 K79 C80 F87 T89 K90 Q95 H96 L97	F78-L93 HydrophobicContact CB-CB 4.14Å; F78-L93 HydrophobicContact CB-CD2 3.92Å; K79-L93 WeakPolarHBondContact O-CD2 3.43Å; C80-L93 HydrophobicContact CB-CD1 4.01Å; F87-L93 HydrophobicContact CB-CB 4.35Å; F87-L93 HydrophobicContact CD2-CB 3.89Å; F87-L93 HydrophobicContact CD2-CD1 3.7Å; F87-L93 HydrophobicContact CD2-CG 4.4Å; F87-L93 HydrophobicContact CE2-CD1 3.88Å; F87-L93 HydrophobicContact CG-CB 4.36Å; T89-L93 PolarHBondContact O-N 3.34Å; K90-L93 PolarHBondContact O-N 3.25Å; L93-Q95 VanDerWaalsContact C-N 3.29Å; L93-Q95 PolarHBondContact O-N 3.2Å; L93-H96 WeakPolarHBondContact O-CA 3.36Å; L93-H96 WeakPolarHBondContact O-CB 3.47Å; L93-H96 PolarHBondContact O-N 3.35Å; L93-L97 HydrophobicContact CD1-CD2 4.37Å; L93-L97 HydrophobicContact CD1-CG 4.22Å; L93-L97 HydrophobicContact CG-CD1 4.44Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.32Å
94	V	93.5	Very high	93.1	Very high	70 Å²	70	74.5 Å²	74.5	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-59.5	-41.8	178.2	170.9	0	0	0	0	111.3	K90 A91 H96 L97	K90-V94 HydrophobicContact CG-CG2 4.42Å; K90-V94 WeakPolarHBondContact O-CG2 3.45Å; K90-V94 PolarHBondContact O-N 3.14Å; A91-V94 PolarHBondContact O-N 2.97Å; V94-H96 VanDerWaalsContact C-N 3.31Å; V94-H96 PolarHBondContact O-N 2.84Å; V94-L97 PolarHBondContact O-N 3Å
95	Q	93.6	Very high	93.3	Very high	70 Å²	70	67.7 Å²	67.7	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-38.7	174.4	-178.3	-179.3	61.8	0	0	112.1	A91 I92 L93 R98 Q117	A91-Q95 WeakPolarHBondContact O-CB 3.41Å; A91-Q95 PolarHBondContact O-N 3.3Å; I92-Q95 PolarHBondContact O-N 2.84Å; L93-Q95 VanDerWaalsContact C-N 3.29Å; L93-Q95 PolarHBondContact O-N 3.2Å; Q95-R98 WeakPolarHBondContact O-CB 3.36Å; Q95-R98 PolarHBondContact O-N 3.4Å; Q95-Q117 HydrophobicContact CG-CG 4.16Å
96	H	94.1	Very high	93.4	Very high	17 Å²	17	65.4 Å²	65.4	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-66.8	-39.3	177.8	165.7	69.2	0	0	0	112.6	C83 F87 I92 L93 V94 R98 I99 H100	C83-H96 PolarHBondContact SG-NE2 3Å; F87-H96 HydrophobicContact CE1-CB 3.96Å; F87-H96 HydrophobicContact CE2-CB 3.84Å; F87-H96 AromaticContact CE2-CD2 3.25Å; F87-H96 WeakPolarHBondContact CE2-CD2 3.42Å; F87-H96 AromaticContact CE2-CG 3.53Å; F87-H96 AromaticContact CE2-NE2 3.89Å; F87-H96 HydrophobicContact CZ-CB 3.47Å; F87-H96 VanDerWaalsContact CZ-CB 3.47Å; F87-H96 AromaticContact CZ-CD2 3.32Å; F87-H96 WeakPolarHBondContact CZ-CD2 3.43Å; F87-H96 AromaticContact CZ-CE1 3.95Å; F87-H96 AromaticContact CZ-CG 3.13Å; F87-H96 AromaticContact CZ-ND1 3.57Å; F87-H96 AromaticContact CZ-NE2 3.79Å; I92-H96 WeakPolarHBondContact O-CB 3.38Å; I92-H96 PolarHBondContact O-N 3.42Å; L93-H96 WeakPolarHBondContact O-CA 3.36Å; L93-H96 WeakPolarHBondContact O-CB 3.47Å; L93-H96 PolarHBondContact O-N 3.35Å; V94-H96 VanDerWaalsContact C-N 3.31Å; V94-H96 PolarHBondContact O-N 2.84Å; H96-R98 PolarHBondContact O-N 3.47Å; H96-I99 VanDerWaalsContact O-CB 3.29Å; H96-I99 WeakPolarHBondContact O-CB 3.13Å; H96-I99 WeakPolarHBondContact O-CG1 3.26Å; H96-I99 PolarHBondContact O-N 3.34Å; H96-H100 AromaticContact CE1-NE2 3.73Å; H96-H100 AromaticContact NE2-CD2 3.84Å; H96-H100 AromaticContact NE2-NE2 3.42Å; H96-H100 PolarHBondContact NE2-NE2 3.17Å
97	L	94.3	Very high	93.6	Very high	54 Å²	54	70.5 Å²	70.5	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-24.8	178.2	-69.9	174.4	0	0	0	112.8	L93 V94 I99 H100 T101	L93-L97 HydrophobicContact CD1-CD2 4.37Å; L93-L97 HydrophobicContact CD1-CG 4.22Å; L93-L97 HydrophobicContact CG-CD1 4.44Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.32Å; V94-L97 PolarHBondContact O-N 3Å; L97-I99 PolarHBondContact O-N 2.88Å; L97-I99 VanDerWaalsContact O-N 3.14Å; L97-H100 WeakPolarHBondContact O-CB 3.04Å; L97-H100 PolarHBondContact O-N 2.59Å; L97-T101 PolarHBondContact O-N 3.43Å; L97-T101 PolarHBondContact O-OG1 2.93Å
98	R	94.4	Very high	93.7	Very high	44 Å²	44	69 Å²	69	17%	0.166	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-21.7	173.1	-61.2	-175.6	177.9	158.8	3.3	114.3	Q95 H96 H100 T101 G102 E103 C116	Q95-R98 WeakPolarHBondContact O-CB 3.36Å; Q95-R98 PolarHBondContact O-N 3.4Å; H96-R98 PolarHBondContact O-N 3.47Å; R98-H100 VanDerWaalsContact C-N 3.32Å; R98-T101 WeakPolarHBondContact CA-OG1 3.47Å; R98-G102 CarbonylContact O-C 3.58Å; R98-G102 WeakPolarHBondContact O-CA 3.43Å; R98-G102 PolarHBondContact O-N 3.11Å; R98-E103 HydrophobicContact CB-CB 4.44Å; R98-E103 HydrophobicContact CG-CB 4.29Å; R98-E103 IonicContact NE-OE2 3.45Å; R98-E103 PolarHBondContact O-N 3.45Å; R98-C116 HydrophobicContact CB-CB 4.17Å; R98-C116 WeakPolarHBondContact CD-O 3.5Å; R98-C116 PolarHBondContact NH1-O 3.49Å
99	I	91.9	Very high	93.9	Very high	123 Å²	123	74.1 Å²	74.1	63%	0.631	39%	0.389	S	S	*	.	H	α-helix	trans	-69.3	-37.7	174.6	-61.2	175.9	0	0	0	110	H96 L97	H96-I99 VanDerWaalsContact O-CB 3.29Å; H96-I99 WeakPolarHBondContact O-CB 3.13Å; H96-I99 WeakPolarHBondContact O-CG1 3.26Å; H96-I99 PolarHBondContact O-N 3.34Å; L97-I99 PolarHBondContact O-N 2.88Å; L97-I99 VanDerWaalsContact O-N 3.14Å
100	H	93.4	Very high	94.1	Very high	68 Å²	68	79 Å²	79	32%	0.315	41%	0.411	S	S	.	.	H	α-helix	trans	-78.2	-47.6	-179.7	-70.4	-78.1	0	0	0	112.1	E82 H96 L97 R98 G102	E82-H100 WeakPolarHBondContact OE2-CB 3.49Å; E82-H100 IonicContact OE2-CG 2.59Å; E82-H100 VanDerWaalsContact OE2-CG 3.28Å; E82-H100 IonicContact OE2-ND1 2.88Å; E82-H100 PolarHBondContact OE2-ND1 3.09Å; H96-H100 AromaticContact CE1-NE2 3.73Å; H96-H100 AromaticContact NE2-CD2 3.84Å; H96-H100 AromaticContact NE2-NE2 3.42Å; H96-H100 PolarHBondContact NE2-NE2 3.17Å; L97-H100 WeakPolarHBondContact O-CB 3.04Å; L97-H100 PolarHBondContact O-N 2.59Å; R98-H100 VanDerWaalsContact C-N 3.32Å; H100-G102 PolarHBondContact O-N 2.95Å
101	T	92.9	Very high	94.3	Very high	91 Å²	91	75.5 Å²	75.5	56%	0.558	40%	0.403	S	S	*	.	H	α-helix	trans	-74.6	-15.4	-179.8	64.1	0	0	0	0	113.3	L97 R98 E103	L97-T101 PolarHBondContact O-N 3.43Å; L97-T101 PolarHBondContact O-OG1 2.93Å; R98-T101 WeakPolarHBondContact CA-OG1 3.47Å; T101-E103 PolarHBondContact O-N 3.12Å; T101-E103 WeakPolarHBondContact OG1-CB 3.39Å; T101-E103 PolarHBondContact OG1-N 2.9Å
102	G	92.4	Very high	94.4	Very high	44 Å²	44	73.6 Å²	73.6	45%	0.454	39%	0.391	S	S	.	.			trans	70.9	6	-173	0	0	0	0	0	114.1	R98 H100 K104	R98-G102 CarbonylContact O-C 3.58Å; R98-G102 WeakPolarHBondContact O-CA 3.43Å; R98-G102 PolarHBondContact O-N 3.11Å; H100-G102 PolarHBondContact O-N 2.95Å; G102-K104 PolarHBondContact O-N 3.42Å
103	E	94.3	Very high	94.6	Very high	99 Å²	99	76.1 Å²	76.1	46%	0.463	40%	0.399	S	S	.	.			trans	-59.8	124.6	-178	-167.8	-161.8	170.4	0	0	111	R98 T101 P105 C116	R98-E103 HydrophobicContact CB-CB 4.44Å; R98-E103 HydrophobicContact CG-CB 4.29Å; R98-E103 IonicContact NE-OE2 3.45Å; R98-E103 PolarHBondContact O-N 3.45Å; T101-E103 PolarHBondContact O-N 3.12Å; T101-E103 WeakPolarHBondContact OG1-CB 3.39Å; T101-E103 PolarHBondContact OG1-N 2.9Å; E103-P105 HydrophobicContact CG-CG 3.98Å; E103-P105 WeakPolarHBondContact OE1-CG 3.24Å; E103-C116 PolarHBondContact O-SG 2.79Å
104	K	94.8	Very high	94.6	Very high	119 Å²	119	76.6 Å²	76.6	52%	0.517	41%	0.407	S	S	.	.			trans	-127.8	78.2	179.9	-73.1	165.5	-179.4	177.1	0	110.4	G102 Y106 A114 F115 C116	G102-K104 PolarHBondContact O-N 3.42Å; K104-Y106 PolarHBondContact O-N 3.06Å; K104-Y106 VanDerWaalsContact O-N 3.14Å; K104-A114 HydrophobicContact CB-CB 3.54Å; K104-A114 HydrophobicContact CD-CB 4.24Å; K104-A114 WeakPolarHBondContact CD-O 3.47Å; K104-A114 HydrophobicContact CG-CB 4.45Å; K104-F115 CarbonylContact C-O 3.54Å; K104-F115 VanDerWaalsContact C-O 3.28Å; K104-F115 WeakPolarHBondContact CA-O 3.28Å; K104-C116 VanDerWaalsContact CG-SG 3.55Å
105	P	94.4	Very high	94.7	Very high	62 Å²	62	74.9 Å²	74.9	40%	0.403	39%	0.394	S	S	.	.			trans	-65.4	-20.6	-172.4	-23	35.1	0	0	0	114.3	E103	E103-P105 HydrophobicContact CG-CG 3.98Å; E103-P105 WeakPolarHBondContact OE1-CG 3.24Å
106	Y	96.5	Very high	94.7	Very high	80 Å²	80	73.1 Å²	73.1	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	96.5	-170.9	-54.4	-78.1	0	0	0	110	K104 A114 F115 S118	K104-Y106 PolarHBondContact O-N 3.06Å; K104-Y106 VanDerWaalsContact O-N 3.14Å; Y106-A114 CarbonylContact O-C 3.24Å; Y106-A114 WeakPolarHBondContact O-CA 2.97Å; Y106-F115 WeakPolarHBondContact CD2-O 3.49Å; Y106-F115 PolarHBondContact N-O 3.13Å; Y106-F115 VanDerWaalsContact N-O 3.11Å; Y106-F115 PolarHBondContact O-N 3.14Å; Y106-S118 VanDerWaalsContact CD2-N 3.29Å; Y106-S118 VanDerWaalsContact CE2-N 3.29Å
107	K	96.9	Very high	94.7	Very high	132 Å²	132	75.7 Å²	75.7	57%	0.574	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.6	-179.6	-166.9	176.2	178.5	-178.4	0	111.5	G112	K107-G112 WeakPolarHBondContact CE-O 3.4Å
108	C	97.1	Very high	94.7	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.007	40%	0.402	C	S	.	.			trans	-77.8	124.9	167.3	-179.6	0	0	0	0	109.3	E110 C111 G112 K113 L121	C108-E110 VanDerWaalsContact C-N 3.29Å; C108-E110 PolarHBondContact O-N 3.33Å; C108-C111 VanDerWaalsContact SG-SG 3.69Å; C108-G112 WeakPolarHBondContact O-CA 3.45Å; C108-G112 PolarHBondContact O-N 3.39Å; C108-K113 VanDerWaalsContact CB-O 3.29Å; C108-K113 WeakPolarHBondContact CB-O 3.32Å; C108-K113 PolarHBondContact N-O 3.29Å; C108-L121 HydrophobicContact CB-CD1 3.69Å
109	N	95.4	Very high	94.7	Very high	156 Å²	156	76.7 Å²	76.7	83%	0.834	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.5	179.9	-67.3	-17.6	0	0	0	112.9
110	E	95.1	Very high	94.8	Very high	121 Å²	121	73 Å²	73	57%	0.565	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-40	-174.8	-60.9	-176.2	-138.2	0	0	113.3	C108 H128	C108-E110 VanDerWaalsContact C-N 3.29Å; C108-E110 PolarHBondContact O-N 3.33Å; E110-H128 WeakPolarHBondContact OE2-CB 3.47Å; E110-H128 IonicContact OE2-CD2 2.92Å; E110-H128 IonicContact OE2-CG 3.09Å; E110-H128 IonicContact OE2-ND1 3.22Å; E110-H128 PolarHBondContact OE2-ND1 3.46Å
111	C	96.1	Very high	94.9	Very high	67 Å²	67	70.7 Å²	70.7	45%	0.453	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	3.6	179.7	67.6	0	0	0	0	114.3	C108 K113 H124 H128	C108-C111 VanDerWaalsContact SG-SG 3.69Å; C111-K113 PolarHBondContact O-N 3.04Å; C111-K113 VanDerWaalsContact SG-CB 3.51Å; C111-H124 PolarHBondContact SG-NE2 3.25Å; C111-H128 PolarHBondContact SG-NE2 2.86Å; C111-H128 VanDerWaalsContact SG-NE2 3.43Å
112	G	94.6	Very high	95	Very high	36 Å²	36	70.4 Å²	70.4	37%	0.371	39%	0.386	S	S	.	.			trans	71.3	-4.3	-179.2	0	0	0	0	0	115.2	K107 C108 A114	K107-G112 WeakPolarHBondContact CE-O 3.4Å; C108-G112 WeakPolarHBondContact O-CA 3.45Å; C108-G112 PolarHBondContact O-N 3.39Å; G112-A114 PolarHBondContact O-N 3.43Å
113	K	95.9	Very high	95.2	Very high	122 Å²	122	73.3 Å²	73.3	53%	0.53	39%	0.386	S	S	.	.			trans	-66.2	131.2	-177.2	-167.9	169.7	-174.7	169.9	0	111.3	C108 C111 F115	C108-K113 VanDerWaalsContact CB-O 3.29Å; C108-K113 WeakPolarHBondContact CB-O 3.32Å; C108-K113 PolarHBondContact N-O 3.29Å; C111-K113 PolarHBondContact O-N 3.04Å; C111-K113 VanDerWaalsContact SG-CB 3.51Å; K113-F115 HydrophobicContact CB-CE2 4.28Å; K113-F115 HydrophobicContact CB-CZ 4.48Å; K113-F115 HydrophobicContact CD-CZ 3.95Å; K113-F115 HydrophobicContact CG-CE2 4.09Å; K113-F115 HydrophobicContact CG-CZ 3.93Å
114	A	95.8	Very high	95.3	Very high	33 Å²	33	69.6 Å²	69.6	27%	0.273	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.9	-176.3	0	0	0	0	0	113.1	K104 Y106 G112	K104-A114 HydrophobicContact CB-CB 3.54Å; K104-A114 HydrophobicContact CD-CB 4.24Å; K104-A114 WeakPolarHBondContact CD-O 3.47Å; K104-A114 HydrophobicContact CG-CB 4.45Å; Y106-A114 CarbonylContact O-C 3.24Å; Y106-A114 WeakPolarHBondContact O-CA 2.97Å; G112-A114 PolarHBondContact O-N 3.43Å
115	F	94.9	Very high	95.3	Very high	34 Å²	34	67.4 Å²	67.4	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.1	-176.1	-58.7	-91.9	0	0	0	111.4	K104 Y106 K113 Q117 L121 H124	K104-F115 CarbonylContact C-O 3.54Å; K104-F115 VanDerWaalsContact C-O 3.28Å; K104-F115 WeakPolarHBondContact CA-O 3.28Å; Y106-F115 WeakPolarHBondContact CD2-O 3.49Å; Y106-F115 PolarHBondContact N-O 3.13Å; Y106-F115 VanDerWaalsContact N-O 3.11Å; Y106-F115 PolarHBondContact O-N 3.14Å; K113-F115 HydrophobicContact CB-CE2 4.28Å; K113-F115 HydrophobicContact CB-CZ 4.48Å; K113-F115 HydrophobicContact CD-CZ 3.95Å; K113-F115 HydrophobicContact CG-CE2 4.09Å; K113-F115 HydrophobicContact CG-CZ 3.93Å; F115-Q117 VanDerWaalsContact C-N 3.26Å; F115-Q117 PolarHBondContact O-N 3.13Å; F115-L121 HydrophobicContact CB-CB 4.44Å; F115-L121 HydrophobicContact CD2-CB 3.87Å; F115-L121 HydrophobicContact CD2-CD1 3.81Å; F115-L121 HydrophobicContact CD2-CG 4.45Å; F115-L121 HydrophobicContact CE2-CD1 3.91Å; F115-L121 HydrophobicContact CG-CB 4.31Å; F115-H124 HydrophobicContact CE1-CB 3.95Å; F115-H124 HydrophobicContact CE2-CB 3.85Å; F115-H124 AromaticContact CE2-CD2 3.34Å; F115-H124 WeakPolarHBondContact CE2-CD2 3.3Å; F115-H124 AromaticContact CE2-CG 3.62Å; F115-H124 AromaticContact CE2-NE2 4Å; F115-H124 HydrophobicContact CZ-CB 3.37Å; F115-H124 AromaticContact CZ-CD2 3.43Å; F115-H124 VanDerWaalsContact CZ-CD2 3.43Å; F115-H124 WeakPolarHBondContact CZ-CD2 3.28Å; F115-H124 AromaticContact CZ-CG 3.2Å; F115-H124 AromaticContact CZ-ND1 3.73Å; F115-H124 AromaticContact CZ-NE2 3.99Å
116	C	93.9	Very high	95.4	Very high	32 Å²	32	66.6 Å²	66.6	22%	0.216	35%	0.349	C	S	.	.	S	Bend	trans	-76.5	-14.4	176.6	-53.8	0	0	0	0	113	R98 E103 K104	R98-C116 HydrophobicContact CB-CB 4.17Å; R98-C116 WeakPolarHBondContact CD-O 3.5Å; R98-C116 PolarHBondContact NH1-O 3.49Å; E103-C116 PolarHBondContact O-SG 2.79Å; K104-C116 VanDerWaalsContact CG-SG 3.55Å
117	Q	93.2	Very high	95.3	Very high	71 Å²	71	68.6 Å²	68.6	33%	0.332	36%	0.364	S	S	.	.	S	Bend	trans	-138.8	139.1	-175.3	-52.5	-174	2.1	0	0	111.6	Q95 F115 S120 L121	Q95-Q117 HydrophobicContact CG-CG 4.16Å; F115-Q117 VanDerWaalsContact C-N 3.26Å; F115-Q117 PolarHBondContact O-N 3.13Å; Q117-S120 WeakPolarHBondContact O-CB 3.49Å; Q117-S120 PolarHBondContact O-N 3.23Å; Q117-L121 PolarHBondContact O-N 2.99Å
118	S	94.6	Very high	95.2	Very high	46 Å²	46	65.7 Å²	65.7	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-46.2	178.7	164.7	0	0	0	0	113.5	Y106 S120 L121 I122	Y106-S118 VanDerWaalsContact CD2-N 3.29Å; Y106-S118 VanDerWaalsContact CE2-N 3.29Å; S118-S120 PolarHBondContact O-N 2.97Å; S118-S120 VanDerWaalsContact O-N 3.14Å; S118-L121 WeakPolarHBondContact O-CB 3.43Å; S118-L121 PolarHBondContact O-N 3.21Å; S118-I122 PolarHBondContact O-N 2.81Å
119	P	93.6	Very high	95.1	Very high	73 Å²	73	69.9 Å²	69.9	47%	0.474	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-29.1	178.5	-26.6	36	0	0	0	113.7	K123	P119-K123 VanDerWaalsContact O-CG 3.29Å; P119-K123 WeakPolarHBondContact O-CG 3.48Å; P119-K123 PolarHBondContact O-N 3.48Å
120	S	95.3	Very high	95	Very high	45 Å²	45	64.7 Å²	64.7	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-70.1	-39.5	175.6	-57.9	0	0	0	0	111.8	Q117 S118 H124	Q117-S120 WeakPolarHBondContact O-CB 3.49Å; Q117-S120 PolarHBondContact O-N 3.23Å; S118-S120 PolarHBondContact O-N 2.97Å; S118-S120 VanDerWaalsContact O-N 3.14Å; S120-H124 WeakPolarHBondContact O-CB 3.38Å; S120-H124 PolarHBondContact O-N 3.4Å
121	L	96.2	Very high	95	Very high	20 Å²	20	63.6 Å²	63.6	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-46.8	172.6	172.9	61.9	0	0	0	111	C108 F115 Q117 S118 K123 H124 Q125	C108-L121 HydrophobicContact CB-CD1 3.69Å; F115-L121 HydrophobicContact CB-CB 4.44Å; F115-L121 HydrophobicContact CD2-CB 3.87Å; F115-L121 HydrophobicContact CD2-CD1 3.81Å; F115-L121 HydrophobicContact CD2-CG 4.45Å; F115-L121 HydrophobicContact CE2-CD1 3.91Å; F115-L121 HydrophobicContact CG-CB 4.31Å; Q117-L121 PolarHBondContact O-N 2.99Å; S118-L121 WeakPolarHBondContact O-CB 3.43Å; S118-L121 PolarHBondContact O-N 3.21Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.05Å; L121-H124 CarbonylContact O-C 3.52Å; L121-H124 WeakPolarHBondContact O-CA 3.5Å; L121-H124 WeakPolarHBondContact O-CB 3.32Å; L121-H124 PolarHBondContact O-N 3.44Å; L121-Q125 HydrophobicContact CD1-CG 4.18Å; L121-Q125 HydrophobicContact CG-CG 4.47Å; L121-Q125 WeakPolarHBondContact O-CG 3.42Å; L121-Q125 PolarHBondContact O-N 3.34Å
122	I	95.1	Very high	95	Very high	86 Å²	86	66.4 Å²	66.4	44%	0.441	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-46.1	179.2	-64.3	169.2	0	0	0	110.8	S118 H124 Q125	S118-I122 PolarHBondContact O-N 2.81Å; I122-H124 VanDerWaalsContact C-N 3.27Å; I122-H124 PolarHBondContact O-N 3.13Å; I122-Q125 PolarHBondContact O-N 3.25Å
123	K	95.4	Very high	95.1	Very high	104 Å²	104	67.6 Å²	67.6	45%	0.452	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-36.5	175.4	-73	174	-174.2	179.8	0	112.3	P119 L121 R126	P119-K123 VanDerWaalsContact O-CG 3.29Å; P119-K123 WeakPolarHBondContact O-CG 3.48Å; P119-K123 PolarHBondContact O-N 3.48Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.05Å; K123-R126 WeakPolarHBondContact O-CB 3.43Å
124	H	95.8	Very high	95.2	Very high	21 Å²	21	65.5 Å²	65.5	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-69.5	-39.3	178	165.9	69.9	0	0	0	112.4	C111 F115 S120 L121 I122 R126 I127 H128	C111-H124 PolarHBondContact SG-NE2 3.25Å; F115-H124 HydrophobicContact CE1-CB 3.95Å; F115-H124 HydrophobicContact CE2-CB 3.85Å; F115-H124 AromaticContact CE2-CD2 3.34Å; F115-H124 WeakPolarHBondContact CE2-CD2 3.3Å; F115-H124 AromaticContact CE2-CG 3.62Å; F115-H124 AromaticContact CE2-NE2 4Å; F115-H124 HydrophobicContact CZ-CB 3.37Å; F115-H124 AromaticContact CZ-CD2 3.43Å; F115-H124 VanDerWaalsContact CZ-CD2 3.43Å; F115-H124 WeakPolarHBondContact CZ-CD2 3.28Å; F115-H124 AromaticContact CZ-CG 3.2Å; F115-H124 AromaticContact CZ-ND1 3.73Å; F115-H124 AromaticContact CZ-NE2 3.99Å; S120-H124 WeakPolarHBondContact O-CB 3.38Å; S120-H124 PolarHBondContact O-N 3.4Å; L121-H124 CarbonylContact O-C 3.52Å; L121-H124 WeakPolarHBondContact O-CA 3.5Å; L121-H124 WeakPolarHBondContact O-CB 3.32Å; L121-H124 PolarHBondContact O-N 3.44Å; I122-H124 VanDerWaalsContact C-N 3.27Å; I122-H124 PolarHBondContact O-N 3.13Å; H124-R126 PolarHBondContact O-N 3.09Å; H124-R126 VanDerWaalsContact O-N 3.09Å; H124-I127 VanDerWaalsContact O-CB 3.26Å; H124-I127 WeakPolarHBondContact O-CB 3.34Å; H124-I127 WeakPolarHBondContact O-CG1 3.47Å; H124-I127 PolarHBondContact O-N 3.33Å; H124-H128 AromaticContact CE1-NE2 3.8Å; H124-H128 AromaticContact NE2-NE2 3.52Å
125	Q	95.9	Very high	95.2	Very high	73 Å²	73	70.7 Å²	70.7	34%	0.341	37%	0.368	S	S	.	.	H	α-helix	trans	-56.4	-27.9	177.9	-75.5	172.9	-47.7	0	0	112.8	L121 I122 I127 H128 T129	L121-Q125 HydrophobicContact CD1-CG 4.18Å; L121-Q125 HydrophobicContact CG-CG 4.47Å; L121-Q125 WeakPolarHBondContact O-CG 3.42Å; L121-Q125 PolarHBondContact O-N 3.34Å; I122-Q125 PolarHBondContact O-N 3.25Å; Q125-I127 PolarHBondContact O-N 2.97Å; Q125-I127 VanDerWaalsContact O-N 3.12Å; Q125-H128 WeakPolarHBondContact O-CB 3.43Å; Q125-H128 PolarHBondContact O-N 2.95Å; Q125-T129 PolarHBondContact O-N 3.38Å; Q125-T129 VanDerWaalsContact O-N 3.09Å
126	R	95.8	Very high	95.4	Very high	45 Å²	45	69.1 Å²	69.1	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-21	173.4	-62.1	-174.7	175	157.8	3	114.6	K123 H124 H128 T129 G130 E131 S144	K123-R126 WeakPolarHBondContact O-CB 3.43Å; H124-R126 PolarHBondContact O-N 3.09Å; H124-R126 VanDerWaalsContact O-N 3.09Å; R126-H128 VanDerWaalsContact C-N 3.29Å; R126-T129 WeakPolarHBondContact CA-OG1 3.34Å; R126-G130 WeakPolarHBondContact O-CA 3.39Å; R126-G130 PolarHBondContact O-N 3.04Å; R126-E131 HydrophobicContact CG-CB 4.32Å; R126-E131 IonicContact NE-OE2 3.01Å; R126-E131 PolarHBondContact NE-OE2 2.82Å; R126-E131 PolarHBondContact O-N 3.29Å; R126-S144 WeakPolarHBondContact CD-O 3.27Å; R126-S144 PolarHBondContact NH1-O 3.05Å
127	I	94.8	Very high	95.5	Very high	123 Å²	123	73.7 Å²	73.7	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-68.3	-35.9	174.1	-63.8	171.1	0	0	0	110.1	H124 Q125	H124-I127 VanDerWaalsContact O-CB 3.26Å; H124-I127 WeakPolarHBondContact O-CB 3.34Å; H124-I127 WeakPolarHBondContact O-CG1 3.47Å; H124-I127 PolarHBondContact O-N 3.33Å; Q125-I127 PolarHBondContact O-N 2.97Å; Q125-I127 VanDerWaalsContact O-N 3.12Å
128	H	95.3	Very high	95.6	Very high	70 Å²	70	76.1 Å²	76.1	32%	0.324	40%	0.4	S	S	.	.	H	α-helix	trans	-81.5	-45.8	-179.6	-64.9	-65.9	0	0	0	112.6	E110 C111 H124 Q125 R126 G130	E110-H128 WeakPolarHBondContact OE2-CB 3.47Å; E110-H128 IonicContact OE2-CD2 2.92Å; E110-H128 IonicContact OE2-CG 3.09Å; E110-H128 IonicContact OE2-ND1 3.22Å; E110-H128 PolarHBondContact OE2-ND1 3.46Å; C111-H128 PolarHBondContact SG-NE2 2.86Å; C111-H128 VanDerWaalsContact SG-NE2 3.43Å; H124-H128 AromaticContact CE1-NE2 3.8Å; H124-H128 AromaticContact NE2-NE2 3.52Å; Q125-H128 WeakPolarHBondContact O-CB 3.43Å; Q125-H128 PolarHBondContact O-N 2.95Å; R126-H128 VanDerWaalsContact C-N 3.29Å; H128-G130 PolarHBondContact O-N 2.99Å
129	T	94.2	Very high	95.7	Very high	90 Å²	90	76.5 Å²	76.5	55%	0.552	40%	0.402	S	S	*	.	H	α-helix	trans	-74	-16.5	179.7	64.2	0	0	0	0	113	Q125 R126 E131	Q125-T129 PolarHBondContact O-N 3.38Å; Q125-T129 VanDerWaalsContact O-N 3.09Å; R126-T129 WeakPolarHBondContact CA-OG1 3.34Å; T129-E131 PolarHBondContact O-N 3.45Å; T129-E131 WeakPolarHBondContact OG1-CB 2.87Å; T129-E131 PolarHBondContact OG1-N 3.47Å
130	G	94.1	Very high	95.7	Very high	46 Å²	46	74.8 Å²	74.8	47%	0.474	40%	0.397	S	S	.	.			trans	69.6	6.6	-172.5	0	0	0	0	0	114.1	R126 H128 K132	R126-G130 WeakPolarHBondContact O-CA 3.39Å; R126-G130 PolarHBondContact O-N 3.04Å; H128-G130 PolarHBondContact O-N 2.99Å; G130-K132 WeakPolarHBondContact O-CG 3.43Å; G130-K132 PolarHBondContact O-N 3.22Å
131	E	95.6	Very high	95.8	Very high	98 Å²	98	78.9 Å²	78.9	46%	0.458	41%	0.409	S	S	.	.			trans	-60.1	124.3	-177.6	-168.4	-159	174.5	0	0	111	R126 T129 P133	R126-E131 HydrophobicContact CG-CB 4.32Å; R126-E131 IonicContact NE-OE2 3.01Å; R126-E131 PolarHBondContact NE-OE2 2.82Å; R126-E131 PolarHBondContact O-N 3.29Å; T129-E131 PolarHBondContact O-N 3.45Å; T129-E131 WeakPolarHBondContact OG1-CB 2.87Å; T129-E131 PolarHBondContact OG1-N 3.47Å; E131-P133 HydrophobicContact CG-CG 3.95Å; E131-P133 WeakPolarHBondContact OE1-CG 3.31Å
132	K	96	Very high	95.8	Very high	126 Å²	126	79.6 Å²	79.6	55%	0.548	42%	0.418	S	S	.	.			trans	-128.5	77.8	-179.6	-73	166.8	174.9	-177.6	0	110.6	G130 Y134 A142 F143	G130-K132 WeakPolarHBondContact O-CG 3.43Å; G130-K132 PolarHBondContact O-N 3.22Å; K132-Y134 PolarHBondContact O-N 2.83Å; K132-Y134 VanDerWaalsContact O-N 3.13Å; K132-A142 HydrophobicContact CB-CB 3.6Å; K132-A142 HydrophobicContact CD-CB 4.31Å; K132-A142 WeakPolarHBondContact CD-O 3.26Å; K132-F143 CarbonylContact C-O 3.52Å; K132-F143 VanDerWaalsContact C-O 3.24Å; K132-F143 VanDerWaalsContact CA-O 3.28Å; K132-F143 WeakPolarHBondContact CA-O 3.18Å
133	P	95.4	Very high	95.9	Very high	62 Å²	62	77.7 Å²	77.7	40%	0.403	41%	0.407	S	S	.	.			trans	-65.6	-19.5	-172.4	-23	35.4	0	0	0	114.3	E131	E131-P133 HydrophobicContact CG-CG 3.95Å; E131-P133 WeakPolarHBondContact OE1-CG 3.31Å
134	Y	97.5	Very high	95.9	Very high	78 Å²	78	74.4 Å²	74.4	31%	0.306	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	95.8	-170.6	-54.1	-79.4	0	0	0	110.1	K132 A142 F143 S146	K132-Y134 PolarHBondContact O-N 2.83Å; K132-Y134 VanDerWaalsContact O-N 3.13Å; Y134-A142 CarbonylContact O-C 3.25Å; Y134-A142 WeakPolarHBondContact O-CA 3.49Å; Y134-F143 WeakPolarHBondContact CD2-O 3.41Å; Y134-F143 PolarHBondContact N-O 2.6Å; Y134-F143 VanDerWaalsContact N-O 3.11Å; Y134-F143 PolarHBondContact O-N 2.96Å; Y134-S146 VanDerWaalsContact CD2-N 3.31Å; Y134-S146 VanDerWaalsContact CE2-N 3.34Å
135	K	97.6	Very high	95.9	Very high	142 Å²	142	76.8 Å²	76.8	62%	0.617	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.4	-178.8	-167.3	175.2	179	-178.6	0	111.6	G140 A142	K135-G140 WeakPolarHBondContact CE-O 3.4Å; K135-A142 HydrophobicContact CB-CB 4.47Å; K135-A142 HydrophobicContact CG-CB 4.48Å
136	C	97.5	Very high	95.9	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	41%	0.412	C	S	.	.			trans	-75.3	124.3	168.9	-173.5	0	0	0	0	109.3	E138 G140 K141 L149	C136-E138 VanDerWaalsContact C-N 3.32Å; C136-G140 WeakPolarHBondContact O-CA 3.5Å; C136-G140 PolarHBondContact O-N 3.2Å; C136-K141 VanDerWaalsContact CB-O 3.25Å; C136-K141 WeakPolarHBondContact CB-O 3.45Å; C136-K141 PolarHBondContact N-O 3.47Å; C136-L149 HydrophobicContact CB-CD1 3.66Å
137	T	96	Very high	95.7	Very high	129 Å²	129	78.4 Å²	78.4	79%	0.791	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-28.8	179.4	46.9	0	0	0	0	112.3
138	E	95.4	Very high	95.8	Very high	122 Å²	122	73.8 Å²	73.8	57%	0.57	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-38.1	-174.4	-63.9	174.4	-153.7	0	0	113.5	C136 H156	C136-E138 VanDerWaalsContact C-N 3.32Å; E138-H156 WeakPolarHBondContact OE2-CB 3.42Å; E138-H156 IonicContact OE2-CD2 3.11Å; E138-H156 PolarHBondContact OE2-CD2 3.43Å; E138-H156 VanDerWaalsContact OE2-CD2 3.3Å; E138-H156 IonicContact OE2-CG 3.43Å; E138-H156 IonicContact OE2-ND1 3.42Å
139	C	96.5	Very high	95.8	Very high	54 Å²	54	71.5 Å²	71.5	37%	0.365	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	5.3	-177.9	71.1	0	0	0	0	114.5	K141 H152 H156	C139-K141 PolarHBondContact O-N 2.99Å; C139-H152 PolarHBondContact SG-NE2 3.43Å; C139-H156 PolarHBondContact SG-NE2 2.88Å; C139-H156 VanDerWaalsContact SG-NE2 3.37Å
140	G	95.3	Very high	95.9	Very high	37 Å²	37	70.7 Å²	70.7	38%	0.381	39%	0.393	S	S	.	.			trans	71.1	-7.1	178.8	0	0	0	0	0	115.7	K135 C136 A142	K135-G140 WeakPolarHBondContact CE-O 3.4Å; C136-G140 WeakPolarHBondContact O-CA 3.5Å; C136-G140 PolarHBondContact O-N 3.2Å; G140-A142 PolarHBondContact O-N 3.27Å
141	K	96.8	Very high	95.9	Very high	131 Å²	131	73.5 Å²	73.5	57%	0.57	39%	0.39	S	S	*	.			trans	-62.9	134	179.4	-72.9	-178.4	-179.1	175.5	0	111.2	C136 C139 F143	C136-K141 VanDerWaalsContact CB-O 3.25Å; C136-K141 WeakPolarHBondContact CB-O 3.45Å; C136-K141 PolarHBondContact N-O 3.47Å; C139-K141 PolarHBondContact O-N 2.99Å; K141-F143 HydrophobicContact CB-CE2 4.14Å; K141-F143 HydrophobicContact CB-CZ 4.28Å
142	A	96.6	Very high	95.9	Very high	35 Å²	35	70.2 Å²	70.2	29%	0.289	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.9	-178.6	0	0	0	0	0	112.8	K132 Y134 K135 G140	K132-A142 HydrophobicContact CB-CB 3.6Å; K132-A142 HydrophobicContact CD-CB 4.31Å; K132-A142 WeakPolarHBondContact CD-O 3.26Å; Y134-A142 CarbonylContact O-C 3.25Å; Y134-A142 WeakPolarHBondContact O-CA 3.49Å; K135-A142 HydrophobicContact CB-CB 4.47Å; K135-A142 HydrophobicContact CG-CB 4.48Å; G140-A142 PolarHBondContact O-N 3.27Å
143	F	96.4	Very high	95.9	Very high	46 Å²	46	67.3 Å²	67.3	20%	0.202	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.8	-176.4	-57.7	-90.4	0	0	0	111.1	K132 Y134 K141 Q145 C148 L149 H152	K132-F143 CarbonylContact C-O 3.52Å; K132-F143 VanDerWaalsContact C-O 3.24Å; K132-F143 VanDerWaalsContact CA-O 3.28Å; K132-F143 WeakPolarHBondContact CA-O 3.18Å; Y134-F143 WeakPolarHBondContact CD2-O 3.41Å; Y134-F143 PolarHBondContact N-O 2.6Å; Y134-F143 VanDerWaalsContact N-O 3.11Å; Y134-F143 PolarHBondContact O-N 2.96Å; K141-F143 HydrophobicContact CB-CE2 4.14Å; K141-F143 HydrophobicContact CB-CZ 4.28Å; F143-Q145 VanDerWaalsContact C-N 3.3Å; F143-C148 HydrophobicContact CB-CB 4.01Å; F143-C148 HydrophobicContact CD1-CB 3.8Å; F143-C148 HydrophobicContact CG-CB 4.11Å; F143-L149 HydrophobicContact CB-CB 4.44Å; F143-L149 HydrophobicContact CD2-CB 3.88Å; F143-L149 HydrophobicContact CD2-CD1 3.9Å; F143-L149 HydrophobicContact CE2-CD1 4.01Å; F143-L149 HydrophobicContact CG-CB 4.36Å; F143-H152 HydrophobicContact CE1-CB 4.02Å; F143-H152 HydrophobicContact CE2-CB 3.85Å; F143-H152 AromaticContact CE2-CD2 3.31Å; F143-H152 WeakPolarHBondContact CE2-CD2 3.36Å; F143-H152 AromaticContact CE2-CG 3.68Å; F143-H152 HydrophobicContact CZ-CB 3.41Å; F143-H152 VanDerWaalsContact CZ-CB 3.41Å; F143-H152 AromaticContact CZ-CD2 3.37Å; F143-H152 WeakPolarHBondContact CZ-CD2 3.31Å; F143-H152 AromaticContact CZ-CG 3.27Å; F143-H152 AromaticContact CZ-ND1 3.94Å
144	S	95.7	Very high	95.9	Very high	34 Å²	34	67.6 Å²	67.6	24%	0.238	36%	0.356	C	S	.	.	S	Bend	trans	-79.2	-12.5	177.4	58.2	0	0	0	0	113.5	R126	R126-S144 WeakPolarHBondContact CD-O 3.27Å; R126-S144 PolarHBondContact NH1-O 3.05Å
145	Q	95	Very high	95.7	Very high	71 Å²	71	67.2 Å²	67.2	33%	0.332	37%	0.365	S	S	.	.	S	Bend	trans	-138.4	141.9	-179.4	-56.6	-174.8	27	0	0	111.3	F143 V147 C148 L149	F143-Q145 VanDerWaalsContact C-N 3.3Å; Q145-V147 HydrophobicContact CB-CG1 4.15Å; Q145-V147 PolarHBondContact O-N 3.34Å; Q145-C148 WeakPolarHBondContact O-CB 3.41Å; Q145-C148 PolarHBondContact O-N 2.86Å; Q145-L149 PolarHBondContact O-N 3.39Å
146	S	95.6	Very high	95.5	Very high	62 Å²	62	64.1 Å²	64.1	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-42.4	-179.9	55	0	0	0	0	112.7	Y134 C148 L149 T150	Y134-S146 VanDerWaalsContact CD2-N 3.31Å; Y134-S146 VanDerWaalsContact CE2-N 3.34Å; S146-C148 PolarHBondContact O-N 2.79Å; S146-L149 WeakPolarHBondContact O-CA 3.38Å; S146-L149 WeakPolarHBondContact O-CB 3.34Å; S146-L149 PolarHBondContact O-N 3.34Å; S146-T150 PolarHBondContact O-N 3.31Å; S146-T150 PolarHBondContact O-OG1 3.25Å
147	V	93.1	Very high	95.3	Very high	90 Å²	90	68.2 Å²	68.2	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-34.2	177.8	63.5	0	0	0	0	112.5	Q145 R151	Q145-V147 HydrophobicContact CB-CG1 4.15Å; Q145-V147 PolarHBondContact O-N 3.34Å; V147-R151 VanDerWaalsContact O-CB 3.32Å; V147-R151 WeakPolarHBondContact O-CB 3.46Å; V147-R151 PolarHBondContact O-N 3.45Å
148	C	95.4	Very high	95.1	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-69.2	-40.2	176.1	-67.7	0	0	0	0	111.2	F143 Q145 S146 H152	F143-C148 HydrophobicContact CB-CB 4.01Å; F143-C148 HydrophobicContact CD1-CB 3.8Å; F143-C148 HydrophobicContact CG-CB 4.11Å; Q145-C148 WeakPolarHBondContact O-CB 3.41Å; Q145-C148 PolarHBondContact O-N 2.86Å; S146-C148 PolarHBondContact O-N 2.79Å; C148-H152 VanDerWaalsContact O-CB 3.3Å; C148-H152 WeakPolarHBondContact O-CB 3.47Å; C148-H152 PolarHBondContact O-N 2.85Å
149	L	96.4	Very high	95.1	Very high	22 Å²	22	61.8 Å²	61.8	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-50.6	173.6	172.4	62	0	0	0	111	C136 F143 Q145 S146 R151 H152 Q153	C136-L149 HydrophobicContact CB-CD1 3.66Å; F143-L149 HydrophobicContact CB-CB 4.44Å; F143-L149 HydrophobicContact CD2-CB 3.88Å; F143-L149 HydrophobicContact CD2-CD1 3.9Å; F143-L149 HydrophobicContact CE2-CD1 4.01Å; F143-L149 HydrophobicContact CG-CB 4.36Å; Q145-L149 PolarHBondContact O-N 3.39Å; S146-L149 WeakPolarHBondContact O-CA 3.38Å; S146-L149 WeakPolarHBondContact O-CB 3.34Å; S146-L149 PolarHBondContact O-N 3.34Å; L149-R151 VanDerWaalsContact C-N 3.3Å; L149-R151 PolarHBondContact O-N 3.14Å; L149-H152 CarbonylContact O-C 3.48Å; L149-H152 WeakPolarHBondContact O-CA 3.25Å; L149-H152 WeakPolarHBondContact O-CB 3.29Å; L149-H152 PolarHBondContact O-N 3.07Å; L149-Q153 HydrophobicContact CD1-CG 4.09Å; L149-Q153 HydrophobicContact CG-CG 4.46Å; L149-Q153 WeakPolarHBondContact O-CG 3.46Å; L149-Q153 PolarHBondContact O-N 3.28Å
150	T	95.3	Very high	95	Very high	72 Å²	72	65 Å²	65	44%	0.442	36%	0.364	S	S	.	.	H	α-helix	trans	-57.1	-44.3	178.6	-54.8	0	0	0	0	111.7	S146 H152 Q153 R154	S146-T150 PolarHBondContact O-N 3.31Å; S146-T150 PolarHBondContact O-OG1 3.25Å; T150-H152 VanDerWaalsContact C-N 3.32Å; T150-H152 PolarHBondContact O-N 2.88Å; T150-Q153 PolarHBondContact O-N 3.49Å; T150-R154 PolarHBondContact O-N 3.41Å
151	R	95	Very high	95	Very high	106 Å²	106	66.3 Å²	66.3	40%	0.4	37%	0.366	S	S	.	.	H	α-helix	trans	-62.9	-40.3	174.9	175.1	177.6	57.2	-178.7	-1.9	112.1	V147 L149 R154 Q173	V147-R151 VanDerWaalsContact O-CB 3.32Å; V147-R151 WeakPolarHBondContact O-CB 3.46Å; V147-R151 PolarHBondContact O-N 3.45Å; L149-R151 VanDerWaalsContact C-N 3.3Å; L149-R151 PolarHBondContact O-N 3.14Å; R151-R154 WeakPolarHBondContact O-CB 3.41Å; R151-R154 PolarHBondContact O-N 3.13Å; R151-Q173 VanDerWaalsContact CD-OE1 3.28Å; R151-Q173 HydrophobicContact CG-CG 4.07Å
152	H	95.8	Very high	95	Very high	28 Å²	28	63.2 Å²	63.2	13%	0.13	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-39.3	177.5	167.3	60.8	0	0	0	112	C139 F143 C148 L149 T150 R154 S155 H156	C139-H152 PolarHBondContact SG-NE2 3.43Å; F143-H152 HydrophobicContact CE1-CB 4.02Å; F143-H152 HydrophobicContact CE2-CB 3.85Å; F143-H152 AromaticContact CE2-CD2 3.31Å; F143-H152 WeakPolarHBondContact CE2-CD2 3.36Å; F143-H152 AromaticContact CE2-CG 3.68Å; F143-H152 HydrophobicContact CZ-CB 3.41Å; F143-H152 VanDerWaalsContact CZ-CB 3.41Å; F143-H152 AromaticContact CZ-CD2 3.37Å; F143-H152 WeakPolarHBondContact CZ-CD2 3.31Å; F143-H152 AromaticContact CZ-CG 3.27Å; F143-H152 AromaticContact CZ-ND1 3.94Å; C148-H152 VanDerWaalsContact O-CB 3.3Å; C148-H152 WeakPolarHBondContact O-CB 3.47Å; C148-H152 PolarHBondContact O-N 2.85Å; L149-H152 CarbonylContact O-C 3.48Å; L149-H152 WeakPolarHBondContact O-CA 3.25Å; L149-H152 WeakPolarHBondContact O-CB 3.29Å; L149-H152 PolarHBondContact O-N 3.07Å; T150-H152 VanDerWaalsContact C-N 3.32Å; T150-H152 PolarHBondContact O-N 2.88Å; H152-R154 PolarHBondContact O-N 2.96Å; H152-S155 PolarHBondContact ND1-OG 3.5Å; H152-S155 WeakPolarHBondContact O-CA 3.44Å; H152-S155 VanDerWaalsContact O-CB 3.3Å; H152-S155 WeakPolarHBondContact O-CB 3.38Å; H152-S155 PolarHBondContact O-N 3.34Å; H152-S155 PolarHBondContact O-OG 2.9Å; H152-H156 AromaticContact CE1-NE2 3.37Å; H152-H156 PolarHBondContact CE1-NE2 3.25Å; H152-H156 AromaticContact NE2-CD2 3.95Å; H152-H156 AromaticContact NE2-NE2 3.18Å; H152-H156 PolarHBondContact NE2-NE2 3.25Å; H152-H156 VanDerWaalsContact NE2-NE2 3.18Å
153	Q	95.4	Very high	95	Very high	66 Å²	66	67.8 Å²	67.8	31%	0.308	37%	0.366	S	S	.	.	H	α-helix	trans	-58.2	-32	176.8	-73.3	171.4	-47.9	0	0	112.6	L149 T150 S155 H156 S157	L149-Q153 HydrophobicContact CD1-CG 4.09Å; L149-Q153 HydrophobicContact CG-CG 4.46Å; L149-Q153 WeakPolarHBondContact O-CG 3.46Å; L149-Q153 PolarHBondContact O-N 3.28Å; T150-Q153 PolarHBondContact O-N 3.49Å; Q153-S155 PolarHBondContact O-N 3.45Å; Q153-S155 VanDerWaalsContact O-N 3.14Å; Q153-H156 WeakPolarHBondContact O-CB 3.33Å; Q153-H156 PolarHBondContact O-N 3.12Å; Q153-S157 PolarHBondContact O-N 3.14Å; Q153-S157 VanDerWaalsContact O-N 3.16Å
154	R	95	Very high	95	Very high	67 Å²	67	65.7 Å²	65.7	25%	0.253	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-23.7	171.6	-62.8	-174.4	177.6	149.8	5.6	114.2	T150 R151 H152 H156 G158 D159 N172	T150-R154 PolarHBondContact O-N 3.41Å; R151-R154 WeakPolarHBondContact O-CB 3.41Å; R151-R154 PolarHBondContact O-N 3.13Å; H152-R154 PolarHBondContact O-N 2.96Å; R154-H156 VanDerWaalsContact C-N 3.29Å; R154-G158 CarbonylContact O-C 3.28Å; R154-G158 WeakPolarHBondContact O-CA 3.12Å; R154-G158 PolarHBondContact O-N 2.82Å; R154-D159 HydrophobicContact CB-CB 4.27Å; R154-D159 HydrophobicContact CG-CB 4.14Å; R154-D159 IonicContact NE-OD2 3.89Å; R154-D159 PolarHBondContact NE-OD2 3.36Å; R154-D159 PolarHBondContact O-N 3.01Å; R154-N172 HydrophobicContact CB-CB 4.23Å; R154-N172 PolarHBondContact NH1-O 2.96Å
155	S	93	Very high	95	Very high	71 Å²	71	71.5 Å²	71.5	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-74.1	-21.7	175.3	70.5	0	0	0	0	113.1	H152 Q153	H152-S155 PolarHBondContact ND1-OG 3.5Å; H152-S155 WeakPolarHBondContact O-CA 3.44Å; H152-S155 VanDerWaalsContact O-CB 3.3Å; H152-S155 WeakPolarHBondContact O-CB 3.38Å; H152-S155 PolarHBondContact O-N 3.34Å; H152-S155 PolarHBondContact O-OG 2.9Å; Q153-S155 PolarHBondContact O-N 3.45Å; Q153-S155 VanDerWaalsContact O-N 3.14Å
156	H	94.3	Very high	95	Very high	76 Å²	76	75.4 Å²	75.4	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-87.3	-47.7	174.7	-63.3	-61.9	0	0	0	111.9	E138 C139 H152 Q153 R154 G158	E138-H156 WeakPolarHBondContact OE2-CB 3.42Å; E138-H156 IonicContact OE2-CD2 3.11Å; E138-H156 PolarHBondContact OE2-CD2 3.43Å; E138-H156 VanDerWaalsContact OE2-CD2 3.3Å; E138-H156 IonicContact OE2-CG 3.43Å; E138-H156 IonicContact OE2-ND1 3.42Å; C139-H156 PolarHBondContact SG-NE2 2.88Å; C139-H156 VanDerWaalsContact SG-NE2 3.37Å; H152-H156 AromaticContact CE1-NE2 3.37Å; H152-H156 PolarHBondContact CE1-NE2 3.25Å; H152-H156 AromaticContact NE2-CD2 3.95Å; H152-H156 AromaticContact NE2-NE2 3.18Å; H152-H156 PolarHBondContact NE2-NE2 3.25Å; H152-H156 VanDerWaalsContact NE2-NE2 3.18Å; Q153-H156 WeakPolarHBondContact O-CB 3.33Å; Q153-H156 PolarHBondContact O-N 3.12Å; R154-H156 VanDerWaalsContact C-N 3.29Å; H156-G158 PolarHBondContact O-N 3.28Å
157	S	93.5	Very high	95	Very high	87 Å²	87	75.4 Å²	75.4	61%	0.608	40%	0.401	S	S	*	.	H	α-helix	trans	-72.2	-16	178.9	64.5	0	0	0	0	113.7	Q153 D159	Q153-S157 PolarHBondContact O-N 3.14Å; Q153-S157 VanDerWaalsContact O-N 3.16Å; S157-D159 PolarHBondContact O-N 2.88Å; S157-D159 VanDerWaalsContact OG-CB 3.29Å; S157-D159 WeakPolarHBondContact OG-CB 3.29Å; S157-D159 PolarHBondContact OG-N 2.75Å
158	G	92.4	Very high	95	Very high	44 Å²	44	72.9 Å²	72.9	45%	0.454	39%	0.393	S	S	.	.			trans	72.6	8.4	-171.4	0	0	0	0	0	113.8	R154 H156 K160	R154-G158 CarbonylContact O-C 3.28Å; R154-G158 WeakPolarHBondContact O-CA 3.12Å; R154-G158 PolarHBondContact O-N 2.82Å; H156-G158 PolarHBondContact O-N 3.28Å; G158-K160 WeakPolarHBondContact O-CG 3.39Å; G158-K160 PolarHBondContact O-N 3.02Å
159	D	94.4	Very high	95.1	Very high	72 Å²	72	77.5 Å²	77.5	39%	0.385	41%	0.41	S	S	.	.			trans	-58.9	120.6	179.6	176.1	31.5	0	0	0	111.5	R154 S157 P161	R154-D159 HydrophobicContact CB-CB 4.27Å; R154-D159 HydrophobicContact CG-CB 4.14Å; R154-D159 IonicContact NE-OD2 3.89Å; R154-D159 PolarHBondContact NE-OD2 3.36Å; R154-D159 PolarHBondContact O-N 3.01Å; S157-D159 PolarHBondContact O-N 2.88Å; S157-D159 VanDerWaalsContact OG-CB 3.29Å; S157-D159 WeakPolarHBondContact OG-CB 3.29Å; S157-D159 PolarHBondContact OG-N 2.75Å; D159-P161 WeakPolarHBondContact OD1-CD 3.49Å
160	K	95.1	Very high	95	Very high	121 Å²	121	78 Å²	78	53%	0.526	42%	0.417	S	S	.	.			trans	-130.8	74.6	-176.7	-72.6	167	-176.4	176.6	0	109.4	G158 F162 A170 F171	G158-K160 WeakPolarHBondContact O-CG 3.39Å; G158-K160 PolarHBondContact O-N 3.02Å; K160-F162 PolarHBondContact O-N 3.33Å; K160-F162 VanDerWaalsContact O-N 3.13Å; K160-A170 HydrophobicContact CB-CB 3.6Å; K160-A170 HydrophobicContact CD-CB 4.27Å; K160-F171 CarbonylContact C-O 3.51Å; K160-F171 VanDerWaalsContact C-O 3.27Å; K160-F171 VanDerWaalsContact CA-O 3.28Å; K160-F171 WeakPolarHBondContact CA-O 3.45Å
161	P	94.5	Very high	95	Very high	65 Å²	65	76.2 Å²	76.2	42%	0.422	40%	0.403	S	S	.	.			trans	-70	-13.4	-171.9	26.1	-32.4	0	0	0	113.3	D159	D159-P161 WeakPolarHBondContact OD1-CD 3.49Å
162	F	96.6	Very high	95	Very high	65 Å²	65	73.3 Å²	73.3	29%	0.285	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	96.7	-176.6	-54.8	-76.1	0	0	0	110.8	K160 A170 F171 S174 L177	K160-F162 PolarHBondContact O-N 3.33Å; K160-F162 VanDerWaalsContact O-N 3.13Å; F162-A170 CarbonylContact O-C 3.28Å; F162-A170 WeakPolarHBondContact O-CA 3.19Å; F162-F171 HydrophobicContact CB-CB 4.41Å; F162-F171 WeakPolarHBondContact CB-O 3.45Å; F162-F171 WeakPolarHBondContact CD2-O 3.42Å; F162-F171 PolarHBondContact N-O 3.3Å; F162-F171 VanDerWaalsContact N-O 3.13Å; F162-F171 PolarHBondContact O-N 3.35Å; F162-S174 VanDerWaalsContact CD2-N 3.28Å; F162-L177 HydrophobicContact CB-CB 4.09Å; F162-L177 HydrophobicContact CB-CD2 3.9Å
163	K	97	Very high	94.9	Very high	132 Å²	132	74.5 Å²	74.5	57%	0.574	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	138.4	-179.4	-165.7	175.2	179.3	-180	0	111.9	G168	K163-G168 WeakPolarHBondContact CE-O 3.29Å; K163-G168 WeakPolarHBondContact CG-O 3.17Å
164	C	97.1	Very high	94.9	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.007	41%	0.408	C	S	.	.			trans	-81	121.4	170.1	-173.2	0	0	0	0	110	K166 G168 K169 L177	C164-K166 PolarHBondContact O-N 3.08Å; C164-G168 WeakPolarHBondContact O-CA 2.81Å; C164-G168 PolarHBondContact O-N 3.13Å; C164-K169 VanDerWaalsContact CB-O 3.31Å; C164-K169 WeakPolarHBondContact CB-O 3.4Å; C164-K169 PolarHBondContact N-O 3.08Å; C164-L177 HydrophobicContact CB-CD1 3.58Å
165	N	95.1	Very high	94.8	Very high	157 Å²	157	74.2 Å²	74.2	84%	0.84	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-21.6	-179.2	-64.5	-12.1	0	0	0	113.1
166	K	94.4	Very high	94.9	Very high	152 Å²	152	72.6 Å²	72.6	66%	0.661	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-39.4	-178.2	-69.9	-173.5	173.8	-172.8	0	113.8	C164 H184	C164-K166 PolarHBondContact O-N 3.08Å; K166-H184 HydrophobicContact CD-CB 3.52Å
167	C	95.9	Very high	95	Very high	63 Å²	63	70 Å²	70	43%	0.426	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	3.6	-175.8	67.6	0	0	0	0	114.2	K169 H180 H184	C167-K169 PolarHBondContact O-N 2.78Å; C167-K169 VanDerWaalsContact SG-CB 3.55Å; C167-H180 PolarHBondContact SG-NE2 2.92Å; C167-H184 PolarHBondContact SG-NE2 3.48Å; C167-H184 VanDerWaalsContact SG-NE2 3.39Å
168	G	94.2	Very high	95.1	Very high	37 Å²	37	71.7 Å²	71.7	38%	0.381	40%	0.397	S	S	.	.			trans	72.1	-7.1	-179.6	0	0	0	0	0	115.5	K163 C164 A170	K163-G168 WeakPolarHBondContact CE-O 3.29Å; K163-G168 WeakPolarHBondContact CG-O 3.17Å; C164-G168 WeakPolarHBondContact O-CA 2.81Å; C164-G168 PolarHBondContact O-N 3.13Å; G168-A170 PolarHBondContact O-N 2.93Å
169	K	95.9	Very high	95.2	Very high	124 Å²	124	73.2 Å²	73.2	54%	0.539	39%	0.392	S	S	.	.			trans	-64.4	131.7	-178.3	-166.8	169.3	-175.2	170.6	0	111.3	C164 C167 F171	C164-K169 VanDerWaalsContact CB-O 3.31Å; C164-K169 WeakPolarHBondContact CB-O 3.4Å; C164-K169 PolarHBondContact N-O 3.08Å; C167-K169 PolarHBondContact O-N 2.78Å; C167-K169 VanDerWaalsContact SG-CB 3.55Å; K169-F171 HydrophobicContact CB-CE2 4.22Å; K169-F171 HydrophobicContact CB-CZ 4.39Å; K169-F171 HydrophobicContact CD-CZ 3.89Å; K169-F171 HydrophobicContact CG-CE2 4.06Å; K169-F171 HydrophobicContact CG-CZ 3.86Å; K169-F171 WeakPolarHBondContact O-CE2 3.41Å
170	A	95.8	Very high	95.2	Very high	33 Å²	33	70.8 Å²	70.8	27%	0.273	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.5	-176.4	0	0	0	0	0	112.9	K160 F162 G168	K160-A170 HydrophobicContact CB-CB 3.6Å; K160-A170 HydrophobicContact CD-CB 4.27Å; F162-A170 CarbonylContact O-C 3.28Å; F162-A170 WeakPolarHBondContact O-CA 3.19Å; G168-A170 PolarHBondContact O-N 2.93Å
171	F	95.4	Very high	95.2	Very high	33 Å²	33	68.6 Å²	68.6	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.9	-175.4	-58.5	-90.7	0	0	0	111.1	K160 F162 K169 Q173 C176 L177 H180	K160-F171 CarbonylContact C-O 3.51Å; K160-F171 VanDerWaalsContact C-O 3.27Å; K160-F171 VanDerWaalsContact CA-O 3.28Å; K160-F171 WeakPolarHBondContact CA-O 3.45Å; F162-F171 HydrophobicContact CB-CB 4.41Å; F162-F171 WeakPolarHBondContact CB-O 3.45Å; F162-F171 WeakPolarHBondContact CD2-O 3.42Å; F162-F171 PolarHBondContact N-O 3.3Å; F162-F171 VanDerWaalsContact N-O 3.13Å; F162-F171 PolarHBondContact O-N 3.35Å; K169-F171 HydrophobicContact CB-CE2 4.22Å; K169-F171 HydrophobicContact CB-CZ 4.39Å; K169-F171 HydrophobicContact CD-CZ 3.89Å; K169-F171 HydrophobicContact CG-CE2 4.06Å; K169-F171 HydrophobicContact CG-CZ 3.86Å; K169-F171 WeakPolarHBondContact O-CE2 3.41Å; F171-Q173 VanDerWaalsContact C-N 3.28Å; F171-Q173 PolarHBondContact O-N 3.24Å; F171-C176 HydrophobicContact CB-CB 4.09Å; F171-C176 HydrophobicContact CD1-CB 3.77Å; F171-C176 HydrophobicContact CG-CB 4.16Å; F171-L177 HydrophobicContact CB-CB 4.42Å; F171-L177 HydrophobicContact CD2-CB 3.89Å; F171-L177 HydrophobicContact CD2-CD1 3.86Å; F171-L177 HydrophobicContact CD2-CG 4.49Å; F171-L177 HydrophobicContact CE2-CD1 3.98Å; F171-L177 HydrophobicContact CG-CB 4.33Å; F171-H180 HydrophobicContact CE1-CB 3.96Å; F171-H180 HydrophobicContact CE2-CB 3.83Å; F171-H180 AromaticContact CE2-CD2 3.43Å; F171-H180 VanDerWaalsContact CE2-CD2 3.43Å; F171-H180 WeakPolarHBondContact CE2-CD2 3.43Å; F171-H180 AromaticContact CE2-CG 3.63Å; F171-H180 HydrophobicContact CZ-CB 3.37Å; F171-H180 AromaticContact CZ-CD2 3.5Å; F171-H180 AromaticContact CZ-CG 3.22Å; F171-H180 AromaticContact CZ-ND1 3.73Å
172	N	93.8	Very high	95.3	Very high	46 Å²	46	68.3 Å²	68.3	25%	0.246	36%	0.361	C	S	.	.	S	Bend	trans	-80	-10.5	177.4	64.8	18.9	0	0	0	113.6	R154	R154-N172 HydrophobicContact CB-CB 4.23Å; R154-N172 PolarHBondContact NH1-O 2.96Å
173	Q	94.3	Very high	95.1	Very high	53 Å²	53	70.9 Å²	70.9	25%	0.248	38%	0.377	C	S	.	.	S	Bend	trans	-138.9	139.2	-176.9	-74.4	170.3	87.2	0	0	111	R151 F171 A175 C176 L177	R151-Q173 VanDerWaalsContact CD-OE1 3.28Å; R151-Q173 HydrophobicContact CG-CG 4.07Å; F171-Q173 VanDerWaalsContact C-N 3.28Å; F171-Q173 PolarHBondContact O-N 3.24Å; Q173-A175 VanDerWaalsContact C-N 3.34Å; Q173-A175 PolarHBondContact O-N 3.25Å; Q173-C176 HydrophobicContact CB-CB 4.35Å; Q173-C176 WeakPolarHBondContact O-CB 3.36Å; Q173-C176 PolarHBondContact O-N 3.49Å; Q173-L177 PolarHBondContact O-N 3.44Å
174	S	95	Very high	95	Very high	64 Å²	64	67.9 Å²	67.9	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.9	56.1	0	0	0	0	112.4	F162 C176 L177 M178	F162-S174 VanDerWaalsContact CD2-N 3.28Å; S174-C176 VanDerWaalsContact C-N 3.27Å; S174-C176 PolarHBondContact O-N 2.89Å; S174-L177 WeakPolarHBondContact O-CB 3.19Å; S174-L177 PolarHBondContact O-N 3.23Å; S174-L177 VanDerWaalsContact O-N 3.07Å; S174-M178 WeakPolarHBondContact O-CG 3.5Å; S174-M178 PolarHBondContact O-N 3.45Å
175	A	93.6	Very high	94.8	Very high	63 Å²	63	71.2 Å²	71.2	52%	0.521	39%	0.388	S	S	.	.	H	α-helix	trans	-59.5	-37.6	177.7	0	0	0	0	0	112.4	Q173 M178 Q179	Q173-A175 VanDerWaalsContact C-N 3.34Å; Q173-A175 PolarHBondContact O-N 3.25Å; A175-M178 PolarHBondContact O-N 3.11Å; A175-Q179 WeakPolarHBondContact O-CB 3.41Å; A175-Q179 PolarHBondContact O-N 2.94Å
176	C	94.8	Very high	94.7	Very high	37 Å²	37	66 Å²	66	25%	0.25	37%	0.372	C	S	.	.	H	α-helix	trans	-67.6	-38.9	175.1	-62.9	0	0	0	0	111.6	F171 Q173 S174 H180	F171-C176 HydrophobicContact CB-CB 4.09Å; F171-C176 HydrophobicContact CD1-CB 3.77Å; F171-C176 HydrophobicContact CG-CB 4.16Å; Q173-C176 HydrophobicContact CB-CB 4.35Å; Q173-C176 WeakPolarHBondContact O-CB 3.36Å; Q173-C176 PolarHBondContact O-N 3.49Å; S174-C176 VanDerWaalsContact C-N 3.27Å; S174-C176 PolarHBondContact O-N 2.89Å; C176-H180 VanDerWaalsContact O-CB 3.26Å; C176-H180 WeakPolarHBondContact O-CB 3.5Å; C176-H180 PolarHBondContact O-N 3.49Å
177	L	96.3	Very high	94.7	Very high	22 Å²	22	63.7 Å²	63.7	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-62.8	-48	173.3	173	62.1	0	0	0	111.3	F162 C164 F171 Q173 S174 Q179 H180 Q181	F162-L177 HydrophobicContact CB-CB 4.09Å; F162-L177 HydrophobicContact CB-CD2 3.9Å; C164-L177 HydrophobicContact CB-CD1 3.58Å; F171-L177 HydrophobicContact CB-CB 4.42Å; F171-L177 HydrophobicContact CD2-CB 3.89Å; F171-L177 HydrophobicContact CD2-CD1 3.86Å; F171-L177 HydrophobicContact CD2-CG 4.49Å; F171-L177 HydrophobicContact CE2-CD1 3.98Å; F171-L177 HydrophobicContact CG-CB 4.33Å; Q173-L177 PolarHBondContact O-N 3.44Å; S174-L177 WeakPolarHBondContact O-CB 3.19Å; S174-L177 PolarHBondContact O-N 3.23Å; S174-L177 VanDerWaalsContact O-N 3.07Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.05Å; L177-H180 WeakPolarHBondContact O-CB 3.18Å; L177-H180 PolarHBondContact O-N 3.22Å; L177-H180 VanDerWaalsContact O-N 3.12Å; L177-Q181 HydrophobicContact CD1-CG 4.18Å; L177-Q181 HydrophobicContact CG-CG 4.5Å; L177-Q181 WeakPolarHBondContact O-CG 3.33Å; L177-Q181 PolarHBondContact O-N 3.42Å
178	M	94.7	Very high	94.7	Very high	122 Å²	122	66.2 Å²	66.2	60%	0.601	37%	0.367	S	S	*	.	H	α-helix	trans	-59	-44.3	178.2	-67.7	-65.9	-74.4	0	0	111.5	S174 A175 H180 Q181	S174-M178 WeakPolarHBondContact O-CG 3.5Å; S174-M178 PolarHBondContact O-N 3.45Å; A175-M178 PolarHBondContact O-N 3.11Å; M178-H180 VanDerWaalsContact C-N 3.35Å; M178-H180 PolarHBondContact O-N 2.91Å; M178-Q181 PolarHBondContact O-N 3.5Å; M178-Q181 PolarHBondContact SD-OE1 3.07Å
179	Q	94.9	Very high	94.7	Very high	75 Å²	75	67.2 Å²	67.2	35%	0.35	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.8	-179.8	-178.9	56.6	0	0	111.8	A175 L177 Q181 R182 Q201	A175-Q179 WeakPolarHBondContact O-CB 3.41Å; A175-Q179 PolarHBondContact O-N 2.94Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.05Å; Q179-Q181 VanDerWaalsContact C-N 3.33Å; Q179-Q181 PolarHBondContact O-N 2.91Å; Q179-R182 WeakPolarHBondContact O-CB 3.38Å; Q179-R182 PolarHBondContact O-N 3.29Å; Q179-Q201 HydrophobicContact CG-CG 4.39Å; Q179-Q201 VanDerWaalsContact NE2-CG 3.34Å; Q179-Q201 VanDerWaalsContact NE2-NE2 3.15Å; Q179-Q201 VanDerWaalsContact NE2-OE1 3.16Å
180	H	95.3	Very high	94.7	Very high	21 Å²	21	64.9 Å²	64.9	10%	0.097	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-37.4	177.7	167.7	70	0	0	0	112.4	C167 F171 C176 L177 M178 R182 I183 H184	C167-H180 PolarHBondContact SG-NE2 2.92Å; F171-H180 HydrophobicContact CE1-CB 3.96Å; F171-H180 HydrophobicContact CE2-CB 3.83Å; F171-H180 AromaticContact CE2-CD2 3.43Å; F171-H180 VanDerWaalsContact CE2-CD2 3.43Å; F171-H180 WeakPolarHBondContact CE2-CD2 3.43Å; F171-H180 AromaticContact CE2-CG 3.63Å; F171-H180 HydrophobicContact CZ-CB 3.37Å; F171-H180 AromaticContact CZ-CD2 3.5Å; F171-H180 AromaticContact CZ-CG 3.22Å; F171-H180 AromaticContact CZ-ND1 3.73Å; C176-H180 VanDerWaalsContact O-CB 3.26Å; C176-H180 WeakPolarHBondContact O-CB 3.5Å; C176-H180 PolarHBondContact O-N 3.49Å; L177-H180 WeakPolarHBondContact O-CB 3.18Å; L177-H180 PolarHBondContact O-N 3.22Å; L177-H180 VanDerWaalsContact O-N 3.12Å; M178-H180 VanDerWaalsContact C-N 3.35Å; M178-H180 PolarHBondContact O-N 2.91Å; H180-R182 PolarHBondContact O-N 3.32Å; H180-R182 VanDerWaalsContact O-N 3.13Å; H180-I183 VanDerWaalsContact O-CB 3.27Å; H180-I183 WeakPolarHBondContact O-CB 3.26Å; H180-I183 WeakPolarHBondContact O-CG1 3.07Å; H180-I183 PolarHBondContact O-N 3.31Å; H180-H184 AromaticContact CE1-NE2 3.81Å; H180-H184 AromaticContact NE2-CD2 3.98Å; H180-H184 AromaticContact NE2-NE2 3.34Å; H180-H184 PolarHBondContact NE2-NE2 2.87Å
181	Q	95.2	Very high	94.8	Very high	75 Å²	75	66.9 Å²	66.9	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-58.9	-25.5	177.6	-76.8	173.6	-28.6	0	0	112.9	L177 M178 Q179 I183 H184 S185	L177-Q181 HydrophobicContact CD1-CG 4.18Å; L177-Q181 HydrophobicContact CG-CG 4.5Å; L177-Q181 WeakPolarHBondContact O-CG 3.33Å; L177-Q181 PolarHBondContact O-N 3.42Å; M178-Q181 PolarHBondContact O-N 3.5Å; M178-Q181 PolarHBondContact SD-OE1 3.07Å; Q179-Q181 VanDerWaalsContact C-N 3.33Å; Q179-Q181 PolarHBondContact O-N 2.91Å; Q181-I183 PolarHBondContact O-N 3.39Å; Q181-H184 WeakPolarHBondContact O-CA 3.32Å; Q181-H184 WeakPolarHBondContact O-CB 3.47Å; Q181-H184 PolarHBondContact O-N 3.39Å; Q181-S185 PolarHBondContact O-N 3.06Å
182	R	95.2	Very high	94.9	Very high	59 Å²	59	65.3 Å²	65.3	22%	0.223	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-25.5	173.5	-62.3	-178.2	179.7	164.8	-0.2	113.7	Q179 H180 H184 S185 G186 E187 T200	Q179-R182 WeakPolarHBondContact O-CB 3.38Å; Q179-R182 PolarHBondContact O-N 3.29Å; H180-R182 PolarHBondContact O-N 3.32Å; H180-R182 VanDerWaalsContact O-N 3.13Å; R182-H184 PolarHBondContact O-N 3.45Å; R182-S185 WeakPolarHBondContact CA-OG 3.49Å; R182-G186 WeakPolarHBondContact O-CA 3.39Å; R182-G186 PolarHBondContact O-N 3.16Å; R182-E187 HydrophobicContact CG-CB 4.49Å; R182-E187 PolarHBondContact O-N 3.08Å; R182-T200 HydrophobicContact CB-CG2 4.44Å; R182-T200 PolarHBondContact NH1-O 2.72Å
183	I	93.4	Very high	94.9	Very high	120 Å²	120	71 Å²	71	62%	0.615	39%	0.385	S	S	*	.	H	α-helix	trans	-65.4	-34.4	173.4	-58.6	174.1	0	0	0	110.2	H180 Q181	H180-I183 VanDerWaalsContact O-CB 3.27Å; H180-I183 WeakPolarHBondContact O-CB 3.26Å; H180-I183 WeakPolarHBondContact O-CG1 3.07Å; H180-I183 PolarHBondContact O-N 3.31Å; Q181-I183 PolarHBondContact O-N 3.39Å
184	H	94.3	Very high	94.9	Very high	68 Å²	68	74.8 Å²	74.8	32%	0.315	40%	0.403	S	S	.	.	H	α-helix	trans	-86.1	-29.4	179.9	-61.6	-56.8	0	0	0	113.9	K166 C167 H180 Q181 R182	K166-H184 HydrophobicContact CD-CB 3.52Å; C167-H184 PolarHBondContact SG-NE2 3.48Å; C167-H184 VanDerWaalsContact SG-NE2 3.39Å; H180-H184 AromaticContact CE1-NE2 3.81Å; H180-H184 AromaticContact NE2-CD2 3.98Å; H180-H184 AromaticContact NE2-NE2 3.34Å; H180-H184 PolarHBondContact NE2-NE2 2.87Å; Q181-H184 WeakPolarHBondContact O-CA 3.32Å; Q181-H184 WeakPolarHBondContact O-CB 3.47Å; Q181-H184 PolarHBondContact O-N 3.39Å; R182-H184 PolarHBondContact O-N 3.45Å
185	S	93.9	Very high	95	Very high	72 Å²	72	74.4 Å²	74.4	50%	0.503	40%	0.4	S	S	.	.	H	α-helix	trans	-84.9	-19.6	175.4	60.7	0	0	0	0	112.7	Q181 R182 E187	Q181-S185 PolarHBondContact O-N 3.06Å; R182-S185 WeakPolarHBondContact CA-OG 3.49Å; S185-E187 PolarHBondContact O-N 2.78Å; S185-E187 VanDerWaalsContact OG-CB 3.29Å; S185-E187 WeakPolarHBondContact OG-CB 3.4Å; S185-E187 PolarHBondContact OG-N 3.11Å
186	G	92.9	Very high	95	Very high	48 Å²	48	73.8 Å²	73.8	50%	0.495	40%	0.4	S	S	.	.			trans	72.4	4.9	-170.5	0	0	0	0	0	113.5	R182 K188	R182-G186 WeakPolarHBondContact O-CA 3.39Å; R182-G186 PolarHBondContact O-N 3.16Å; G186-K188 PolarHBondContact O-N 3.11Å
187	E	94.4	Very high	95.1	Very high	103 Å²	103	78.1 Å²	78.1	48%	0.481	41%	0.414	S	S	.	.			trans	-63	124.3	-177.9	-169.8	-165.2	161.4	0	0	110.8	R182 S185 P189	R182-E187 HydrophobicContact CG-CB 4.49Å; R182-E187 PolarHBondContact O-N 3.08Å; S185-E187 PolarHBondContact O-N 2.78Å; S185-E187 VanDerWaalsContact OG-CB 3.29Å; S185-E187 WeakPolarHBondContact OG-CB 3.4Å; S185-E187 PolarHBondContact OG-N 3.11Å; E187-P189 HydrophobicContact CG-CG 4Å; E187-P189 WeakPolarHBondContact OE1-CG 3.46Å
188	K	95.1	Very high	95.1	Very high	115 Å²	115	78.6 Å²	78.6	50%	0.5	42%	0.422	S	S	.	.			trans	-126.5	81.2	179.7	-71.7	168.5	172.5	-168.4	0	109.7	G186 Y190 A198 F199 T200	G186-K188 PolarHBondContact O-N 3.11Å; K188-Y190 PolarHBondContact O-N 3.14Å; K188-Y190 VanDerWaalsContact O-N 3.16Å; K188-A198 HydrophobicContact CB-CB 3.6Å; K188-A198 HydrophobicContact CD-CB 4.08Å; K188-A198 WeakPolarHBondContact CD-O 3.43Å; K188-A198 HydrophobicContact CG-CB 4.46Å; K188-F199 CarbonylContact C-O 3.53Å; K188-F199 VanDerWaalsContact C-O 3.28Å; K188-F199 VanDerWaalsContact CA-O 3.25Å; K188-F199 WeakPolarHBondContact CA-O 3.44Å; K188-T200 HydrophobicContact CG-CG2 3.85Å
189	P	94.9	Very high	95.1	Very high	59 Å²	59	74.9 Å²	74.9	38%	0.383	40%	0.402	S	S	.	.			trans	-68	-14.7	-172.2	-21.4	34.1	0	0	0	114.6	E187	E187-P189 HydrophobicContact CG-CG 4Å; E187-P189 WeakPolarHBondContact OE1-CG 3.46Å
190	Y	96.7	Very high	95.1	Very high	74 Å²	74	73.2 Å²	73.2	29%	0.29	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104.2	-170.8	-54.2	-77.7	0	0	0	109.6	K188 A198 F199 N202	K188-Y190 PolarHBondContact O-N 3.14Å; K188-Y190 VanDerWaalsContact O-N 3.16Å; Y190-A198 CarbonylContact O-C 3.5Å; Y190-A198 WeakPolarHBondContact O-CA 3.23Å; Y190-F199 PolarHBondContact N-O 3.33Å; Y190-F199 PolarHBondContact O-N 3.14Å; Y190-N202 HydrophobicContact CD1-CB 3.81Å; Y190-N202 HydrophobicContact CE1-CB 3.67Å; Y190-N202 HydrophobicContact CE2-CB 4.42Å; Y190-N202 HydrophobicContact CG-CB 4.27Å
191	T	96.9	Very high	95	Very high	75 Å²	75	75.1 Å²	75.1	46%	0.46	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.7	-176.7	-53	0	0	0	0	110.4	I193 G196 A198	T191-I193 PolarHBondContact O-N 3.48Å; T191-G196 WeakPolarHBondContact CG2-O 3.37Å; T191-A198 HydrophobicContact CG2-CB 4.47Å
192	C	97.1	Very high	95	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.411	C	S	.	.			trans	-71.7	123.8	171.8	-179.6	0	0	0	0	109.5	E194 G196 K197 F199 L205 H212	C192-E194 VanDerWaalsContact C-N 3.32Å; C192-G196 WeakPolarHBondContact O-CA 3.39Å; C192-G196 PolarHBondContact O-N 3.47Å; C192-K197 WeakPolarHBondContact CB-O 3.47Å; C192-K197 PolarHBondContact N-O 3.16Å; C192-F199 HydrophobicContact CB-CE2 4.45Å; C192-L205 HydrophobicContact CB-CD1 3.6Å; C192-H212 PolarHBondContact SG-NE2 3.39Å
193	I	95.3	Very high	94.9	Very high	165 Å²	165	76.2 Å²	76.2	85%	0.846	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-36.3	-178.5	-59.9	174.8	0	0	0	110.6	T191	T191-I193 PolarHBondContact O-N 3.48Å
194	E	93.8	Very high	94.9	Very high	134 Å²	134	72.4 Å²	72.4	63%	0.626	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.9	-174.3	-64	-177.3	161.9	0	0	113.6	C192 H212	C192-E194 VanDerWaalsContact C-N 3.32Å; E194-H212 WeakPolarHBondContact OE2-CB 3.26Å; E194-H212 IonicContact OE2-CD2 3.02Å; E194-H212 PolarHBondContact OE2-CD2 3.36Å; E194-H212 IonicContact OE2-CG 3.72Å; E194-H212 IonicContact OE2-NE2 3.3Å
195	C	96.1	Very high	94.9	Very high	55 Å²	55	69.9 Å²	69.9	37%	0.372	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	2.5	-175.1	79.1	0	0	0	0	114.9	K197 H208	C195-K197 PolarHBondContact O-N 2.89Å; C195-K197 VanDerWaalsContact O-N 3.11Å; C195-K197 VanDerWaalsContact SG-CB 3.59Å; C195-K197 VanDerWaalsContact SG-CG 3.53Å; C195-H208 PolarHBondContact SG-NE2 3.45Å
196	G	94.9	Very high	94.9	Very high	51 Å²	51	69 Å²	69	53%	0.526	39%	0.389	S	S	.	.			trans	70.3	0.2	179.7	0	0	0	0	0	115.5	T191 C192 A198	T191-G196 WeakPolarHBondContact CG2-O 3.37Å; C192-G196 WeakPolarHBondContact O-CA 3.39Å; C192-G196 PolarHBondContact O-N 3.47Å; G196-A198 PolarHBondContact O-N 3.47Å
197	K	96.1	Very high	94.8	Very high	127 Å²	127	70.1 Å²	70.1	55%	0.552	38%	0.382	S	S	*	.			trans	-67.6	129.2	179.6	-74	179.7	-177	175.9	0	111	C192 C195 F199	C192-K197 WeakPolarHBondContact CB-O 3.47Å; C192-K197 PolarHBondContact N-O 3.16Å; C195-K197 PolarHBondContact O-N 2.89Å; C195-K197 VanDerWaalsContact O-N 3.11Å; C195-K197 VanDerWaalsContact SG-CB 3.59Å; C195-K197 VanDerWaalsContact SG-CG 3.53Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.01Å; K197-F199 VanDerWaalsContact O-CE2 3.31Å; K197-F199 WeakPolarHBondContact O-CE2 3.49Å
198	A	96	Very high	94.8	Very high	33 Å²	33	66.3 Å²	66.3	27%	0.273	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.1	179.8	0	0	0	0	0	112.8	K188 Y190 T191 G196	K188-A198 HydrophobicContact CB-CB 3.6Å; K188-A198 HydrophobicContact CD-CB 4.08Å; K188-A198 WeakPolarHBondContact CD-O 3.43Å; K188-A198 HydrophobicContact CG-CB 4.46Å; Y190-A198 CarbonylContact O-C 3.5Å; Y190-A198 WeakPolarHBondContact O-CA 3.23Å; T191-A198 HydrophobicContact CG2-CB 4.47Å; G196-A198 PolarHBondContact O-N 3.47Å
199	F	95.3	Very high	94.7	Very high	43 Å²	43	64.2 Å²	64.2	19%	0.189	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.5	-174.8	-58.6	-89.3	0	0	0	111.4	K188 Y190 C192 K197 Q201 L205 H208	K188-F199 CarbonylContact C-O 3.53Å; K188-F199 VanDerWaalsContact C-O 3.28Å; K188-F199 VanDerWaalsContact CA-O 3.25Å; K188-F199 WeakPolarHBondContact CA-O 3.44Å; Y190-F199 PolarHBondContact N-O 3.33Å; Y190-F199 PolarHBondContact O-N 3.14Å; C192-F199 HydrophobicContact CB-CE2 4.45Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.01Å; K197-F199 VanDerWaalsContact O-CE2 3.31Å; K197-F199 WeakPolarHBondContact O-CE2 3.49Å; F199-Q201 VanDerWaalsContact C-N 3.33Å; F199-L205 HydrophobicContact CB-CB 4.43Å; F199-L205 HydrophobicContact CD2-CB 3.94Å; F199-L205 HydrophobicContact CD2-CD1 3.86Å; F199-L205 HydrophobicContact CE2-CD1 3.99Å; F199-L205 HydrophobicContact CG-CB 4.37Å; F199-H208 HydrophobicContact CE1-CB 3.98Å; F199-H208 HydrophobicContact CE2-CB 3.85Å; F199-H208 AromaticContact CE2-CD2 3.46Å; F199-H208 VanDerWaalsContact CE2-CD2 3.46Å; F199-H208 WeakPolarHBondContact CE2-CD2 3.49Å; F199-H208 AromaticContact CE2-CG 3.71Å; F199-H208 HydrophobicContact CZ-CB 3.39Å; F199-H208 AromaticContact CZ-CD2 3.47Å; F199-H208 VanDerWaalsContact CZ-CD2 3.47Å; F199-H208 WeakPolarHBondContact CZ-CD2 3.27Å; F199-H208 AromaticContact CZ-CG 3.26Å; F199-H208 AromaticContact CZ-ND1 3.94Å
200	T	94.3	Very high	94.5	Very high	40 Å²	40	64 Å²	64	25%	0.245	35%	0.347	C	S	.	.	S	Bend	trans	-80.4	-16.6	178.1	57.9	0	0	0	0	112.9	R182 K188	R182-T200 HydrophobicContact CB-CG2 4.44Å; R182-T200 PolarHBondContact NH1-O 2.72Å; K188-T200 HydrophobicContact CG-CG2 3.85Å
201	Q	93.9	Very high	94.3	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	35%	0.35	S	S	.	.	S	Bend	trans	-135.6	142.4	-177.5	-48.6	-172.9	17.5	0	0	111.2	Q179 F199 S203 S204 L205	Q179-Q201 HydrophobicContact CG-CG 4.39Å; Q179-Q201 VanDerWaalsContact NE2-CG 3.34Å; Q179-Q201 VanDerWaalsContact NE2-NE2 3.15Å; Q179-Q201 VanDerWaalsContact NE2-OE1 3.16Å; F199-Q201 VanDerWaalsContact C-N 3.33Å; Q201-S203 VanDerWaalsContact C-N 3.33Å; Q201-S203 PolarHBondContact O-N 3.18Å; Q201-S203 PolarHBondContact OE1-OG 3.24Å; Q201-S204 WeakPolarHBondContact O-CB 3.47Å; Q201-S204 PolarHBondContact O-N 3.43Å; Q201-L205 PolarHBondContact O-N 3.07Å
202	N	94.7	Very high	94	Very high	82 Å²	82	63.1 Å²	63.1	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-37.4	177	-169.4	64.5	0	0	0	112.7	Y190 S204 L205 V206	Y190-N202 HydrophobicContact CD1-CB 3.81Å; Y190-N202 HydrophobicContact CE1-CB 3.67Å; Y190-N202 HydrophobicContact CE2-CB 4.42Å; Y190-N202 HydrophobicContact CG-CB 4.27Å; N202-S204 VanDerWaalsContact C-N 3.25Å; N202-S204 PolarHBondContact O-N 3.44Å; N202-L205 WeakPolarHBondContact O-CB 3.47Å; N202-L205 PolarHBondContact O-N 2.89Å; N202-L205 VanDerWaalsContact O-N 3.13Å; N202-V206 WeakPolarHBondContact O-CG2 3.48Å; N202-V206 PolarHBondContact O-N 2.79Å
203	S	92.5	Very high	93.6	Very high	75 Å²	75	67 Å²	67	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-38.4	176.9	47	0	0	0	0	112.2	Q201 E207	Q201-S203 VanDerWaalsContact C-N 3.33Å; Q201-S203 PolarHBondContact O-N 3.18Å; Q201-S203 PolarHBondContact OE1-OG 3.24Å; S203-E207 VanDerWaalsContact O-CB 3.3Å; S203-E207 WeakPolarHBondContact O-CB 3.4Å; S203-E207 PolarHBondContact O-N 3.34Å
204	S	93.9	Very high	93.1	Very high	40 Å²	40	60.9 Å²	60.9	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-69.1	-37.4	175.5	-55.6	0	0	0	0	112.2	Q201 N202 H208	Q201-S204 WeakPolarHBondContact O-CB 3.47Å; Q201-S204 PolarHBondContact O-N 3.43Å; N202-S204 VanDerWaalsContact C-N 3.25Å; N202-S204 PolarHBondContact O-N 3.44Å; S204-H208 VanDerWaalsContact O-CB 3.28Å; S204-H208 WeakPolarHBondContact O-CB 3.49Å; S204-H208 PolarHBondContact O-N 2.88Å
205	L	95.4	Very high	92.8	Very high	14 Å²	14	59.4 Å²	59.4	7%	0.073	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-52.8	172.9	171.8	61.7	0	0	0	110.9	C192 F199 Q201 N202 E207 H208 E209	C192-L205 HydrophobicContact CB-CD1 3.6Å; F199-L205 HydrophobicContact CB-CB 4.43Å; F199-L205 HydrophobicContact CD2-CB 3.94Å; F199-L205 HydrophobicContact CD2-CD1 3.86Å; F199-L205 HydrophobicContact CE2-CD1 3.99Å; F199-L205 HydrophobicContact CG-CB 4.37Å; Q201-L205 PolarHBondContact O-N 3.07Å; N202-L205 WeakPolarHBondContact O-CB 3.47Å; N202-L205 PolarHBondContact O-N 2.89Å; N202-L205 VanDerWaalsContact O-N 3.13Å; L205-E207 VanDerWaalsContact C-N 3.27Å; L205-E207 PolarHBondContact O-N 2.92Å; L205-H208 CarbonylContact O-C 3.18Å; L205-H208 WeakPolarHBondContact O-CA 3.48Å; L205-H208 WeakPolarHBondContact O-CB 3.27Å; L205-H208 PolarHBondContact O-N 2.84Å; L205-E209 HydrophobicContact CD1-CG 4.01Å; L205-E209 HydrophobicContact CG-CG 4.39Å; L205-E209 WeakPolarHBondContact O-CG 3.41Å; L205-E209 PolarHBondContact O-N 3.11Å
206	V	92.9	Very high	92.3	Very high	54 Å²	54	62 Å²	62	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-40	179.4	172.2	0	0	0	0	111.5	N202 H208 E209 R210	N202-V206 WeakPolarHBondContact O-CG2 3.48Å; N202-V206 PolarHBondContact O-N 2.79Å; V206-H208 VanDerWaalsContact C-N 3.33Å; V206-E209 PolarHBondContact O-N 3.17Å; V206-R210 PolarHBondContact O-N 3.48Å
207	E	91.4	Very high	92	Very high	72 Å²	72	64.4 Å²	64.4	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-38.8	174.4	-170	-161.3	86.4	0	0	112	S203 L205 R210 K229	S203-E207 VanDerWaalsContact O-CB 3.3Å; S203-E207 WeakPolarHBondContact O-CB 3.4Å; S203-E207 PolarHBondContact O-N 3.34Å; L205-E207 VanDerWaalsContact C-N 3.27Å; L205-E207 PolarHBondContact O-N 2.92Å; E207-R210 WeakPolarHBondContact O-CB 3.44Å; E207-K229 WeakPolarHBondContact OE1-CE 3.38Å; E207-K229 IonicContact OE1-NZ 3.22Å; E207-K229 PolarHBondContact OE1-NZ 3.37Å; E207-K229 WeakPolarHBondContact OE2-CD 3.37Å; E207-K229 WeakPolarHBondContact OE2-CE 3.48Å; E207-K229 IonicContact OE2-NZ 3.87Å; E207-K229 PolarHBondContact OE2-NZ 2.78Å
208	H	93.4	Very high	91.8	Very high	22 Å²	22	61.7 Å²	61.7	10%	0.102	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-40	176.1	170.4	61.8	0	0	0	112.5	C195 F199 S204 L205 V206 R210 T211 H212	C195-H208 PolarHBondContact SG-NE2 3.45Å; F199-H208 HydrophobicContact CE1-CB 3.98Å; F199-H208 HydrophobicContact CE2-CB 3.85Å; F199-H208 AromaticContact CE2-CD2 3.46Å; F199-H208 VanDerWaalsContact CE2-CD2 3.46Å; F199-H208 WeakPolarHBondContact CE2-CD2 3.49Å; F199-H208 AromaticContact CE2-CG 3.71Å; F199-H208 HydrophobicContact CZ-CB 3.39Å; F199-H208 AromaticContact CZ-CD2 3.47Å; F199-H208 VanDerWaalsContact CZ-CD2 3.47Å; F199-H208 WeakPolarHBondContact CZ-CD2 3.27Å; F199-H208 AromaticContact CZ-CG 3.26Å; F199-H208 AromaticContact CZ-ND1 3.94Å; S204-H208 VanDerWaalsContact O-CB 3.28Å; S204-H208 WeakPolarHBondContact O-CB 3.49Å; S204-H208 PolarHBondContact O-N 2.88Å; L205-H208 CarbonylContact O-C 3.18Å; L205-H208 WeakPolarHBondContact O-CA 3.48Å; L205-H208 WeakPolarHBondContact O-CB 3.27Å; L205-H208 PolarHBondContact O-N 2.84Å; V206-H208 VanDerWaalsContact C-N 3.33Å; H208-R210 PolarHBondContact O-N 2.84Å; H208-T211 PolarHBondContact ND1-OG1 3.08Å; H208-T211 WeakPolarHBondContact O-CA 3.38Å; H208-T211 VanDerWaalsContact O-CB 3.24Å; H208-T211 WeakPolarHBondContact O-CB 3.5Å; H208-T211 WeakPolarHBondContact O-CG2 3.35Å; H208-T211 PolarHBondContact O-N 3.3Å; H208-T211 PolarHBondContact O-OG1 3.28Å; H208-H212 AromaticContact CD2-NE2 3.9Å; H208-H212 AromaticContact CE1-CE1 3.8Å; H208-H212 AromaticContact CE1-NE2 3.61Å; H208-H212 AromaticContact NE2-CE1 3.71Å; H208-H212 AromaticContact NE2-NE2 3.13Å; H208-H212 PolarHBondContact NE2-NE2 3.47Å; H208-H212 VanDerWaalsContact NE2-NE2 3.13Å
209	E	92.9	Very high	91.6	Very high	71 Å²	71	66.8 Å²	66.8	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-32.2	178.4	-73	171.6	160	0	0	112	L205 V206 T211 H212 T213	L205-E209 HydrophobicContact CD1-CG 4.01Å; L205-E209 HydrophobicContact CG-CG 4.39Å; L205-E209 WeakPolarHBondContact O-CG 3.41Å; L205-E209 PolarHBondContact O-N 3.11Å; V206-E209 PolarHBondContact O-N 3.17Å; E209-T211 PolarHBondContact O-N 3.32Å; E209-H212 PolarHBondContact O-N 3.45Å; E209-T213 PolarHBondContact O-N 3.5Å
210	R	91.1	Very high	91.6	Very high	56 Å²	56	64.9 Å²	64.9	21%	0.211	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-17.1	171.8	-62.9	173.2	-173.9	175.1	0	114	V206 E207 H208 H212 T213 G214	V206-R210 PolarHBondContact O-N 3.48Å; E207-R210 WeakPolarHBondContact O-CB 3.44Å; H208-R210 PolarHBondContact O-N 2.84Å; R210-H212 VanDerWaalsContact C-N 3.31Å; R210-T213 WeakPolarHBondContact CA-OG1 3.46Å; R210-G214 PolarHBondContact O-N 3.1Å; R210-G214 VanDerWaalsContact O-N 3.14Å
211	T	91.6	Very high	91.5	Very high	56 Å²	56	67.3 Å²	67.3	34%	0.344	36%	0.357	S	S	.	.	H	α-helix	trans	-74.2	-27.2	175.1	69.6	0	0	0	0	112.3	H208 E209	H208-T211 PolarHBondContact ND1-OG1 3.08Å; H208-T211 WeakPolarHBondContact O-CA 3.38Å; H208-T211 VanDerWaalsContact O-CB 3.24Å; H208-T211 WeakPolarHBondContact O-CB 3.5Å; H208-T211 WeakPolarHBondContact O-CG2 3.35Å; H208-T211 PolarHBondContact O-N 3.3Å; H208-T211 PolarHBondContact O-OG1 3.28Å; E209-T211 PolarHBondContact O-N 3.32Å
212	H	91.6	Very high	91.4	Very high	74 Å²	74	71 Å²	71	34%	0.343	37%	0.374	S	S	.	.	H	α-helix	trans	-84.3	-44.6	177.1	-54.9	-52.6	0	0	0	111.5	C192 E194 H208 E209 R210 G214	C192-H212 PolarHBondContact SG-NE2 3.39Å; E194-H212 WeakPolarHBondContact OE2-CB 3.26Å; E194-H212 IonicContact OE2-CD2 3.02Å; E194-H212 PolarHBondContact OE2-CD2 3.36Å; E194-H212 IonicContact OE2-CG 3.72Å; E194-H212 IonicContact OE2-NE2 3.3Å; H208-H212 AromaticContact CD2-NE2 3.9Å; H208-H212 AromaticContact CE1-CE1 3.8Å; H208-H212 AromaticContact CE1-NE2 3.61Å; H208-H212 AromaticContact NE2-CE1 3.71Å; H208-H212 AromaticContact NE2-NE2 3.13Å; H208-H212 PolarHBondContact NE2-NE2 3.47Å; H208-H212 VanDerWaalsContact NE2-NE2 3.13Å; E209-H212 PolarHBondContact O-N 3.45Å; R210-H212 VanDerWaalsContact C-N 3.31Å; H212-G214 PolarHBondContact O-N 3.09Å
213	T	88.7	Confident	91.3	Very high	82 Å²	82	68.8 Å²	68.8	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-72.7	-18.1	178.5	64.9	0	0	0	0	113.3	E209 R210 E215	E209-T213 PolarHBondContact O-N 3.5Å; R210-T213 WeakPolarHBondContact CA-OG1 3.46Å; T213-E215 PolarHBondContact O-N 2.88Å; T213-E215 WeakPolarHBondContact OG1-CG 3.39Å; T213-E215 PolarHBondContact OG1-N 3Å
214	G	85.1	Confident	91.2	Very high	35 Å²	35	73.7 Å²	73.7	36%	0.361	38%	0.38	S	S	.	.			trans	74	4.1	-175.7	0	0	0	0	0	114.3	R210 H212 K216	R210-G214 PolarHBondContact O-N 3.1Å; R210-G214 VanDerWaalsContact O-N 3.14Å; H212-G214 PolarHBondContact O-N 3.09Å; G214-K216 PolarHBondContact O-N 3.46Å
215	E	87.6	Confident	91.1	Very high	103 Å²	103	77.6 Å²	77.6	48%	0.481	39%	0.392	S	S	.	.			trans	-57.7	123.5	-178.8	-77.7	-177.8	176	0	0	112.5	T213	T213-E215 PolarHBondContact O-N 2.88Å; T213-E215 WeakPolarHBondContact OG1-CG 3.39Å; T213-E215 PolarHBondContact OG1-N 3Å
216	K	86.1	Confident	90.9	Very high	109 Å²	109	79.4 Å²	79.4	47%	0.474	40%	0.403	S	S	.	.			trans	-121.3	89.8	176.1	-66.7	175	-178.3	179.9	0	110	G214 Y218 T226 F227 R228	G214-K216 PolarHBondContact O-N 3.46Å; K216-Y218 VanDerWaalsContact C-N 3.3Å; K216-Y218 PolarHBondContact O-N 2.89Å; K216-T226 WeakPolarHBondContact CD-OG1 3.49Å; K216-F227 CarbonylContact C-O 3.56Å; K216-F227 WeakPolarHBondContact CA-O 3.5Å; K216-R228 HydrophobicContact CG-CG 3.92Å
217	L	88.5	Confident	90.8	Very high	102 Å²	102	78.7 Å²	78.7	53%	0.534	40%	0.396	S	S	.	.			trans	-73.8	-18.1	-172.9	-59.1	176.8	0	0	0	114.2	F227	L217-F227 PolarHBondContact N-O 2.91Å
218	Y	91.3	Very high	90.6	Very high	70 Å²	70	79.9 Å²	79.9	28%	0.275	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	100.4	-170.2	-56.9	-75.9	0	0	0	110.4	K216 T226 F227 R228 Q230	K216-Y218 VanDerWaalsContact C-N 3.3Å; K216-Y218 PolarHBondContact O-N 2.89Å; Y218-T226 CarbonylContact O-C 3.56Å; Y218-T226 WeakPolarHBondContact O-CA 3.45Å; Y218-F227 WeakPolarHBondContact CB-O 3.47Å; Y218-F227 PolarHBondContact N-O 3.14Å; Y218-F227 VanDerWaalsContact N-O 3.09Å; Y218-F227 PolarHBondContact O-N 3.04Å; Y218-R228 WeakPolarHBondContact CE2-O 3.38Å; Y218-Q230 HydrophobicContact CD1-CB 4.06Å; Y218-Q230 HydrophobicContact CE1-CB 3.79Å
219	K	92.2	Very high	90.3	Very high	141 Å²	141	82.1 Å²	82.1	61%	0.613	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.8	179.3	-171.4	177.2	176.2	-177.1	0	111.1	T226	K219-T226 HydrophobicContact CB-CG2 4.06Å; K219-T226 HydrophobicContact CG-CG2 3.92Å
220	C	94.4	Very high	90.2	Very high	2 Å²	2	82.9 Å²	82.9	1%	0.014	41%	0.41	C	S	.	.			trans	-71.6	138.1	168.3	-172.6	0	0	0	0	110.1	C223 K225 L233 H240	C220-C223 CarbonylContact C-O 3.58Å; C220-C223 WeakPolarHBondContact CB-O 3.28Å; C220-C223 VanDerWaalsContact SG-SG 3.68Å; C220-K225 WeakPolarHBondContact CB-O 3.36Å; C220-K225 PolarHBondContact N-O 3.45Å; C220-L233 HydrophobicContact CB-CD1 3.83Å; C220-H240 PolarHBondContact SG-NE2 3.32Å
221	S	92.7	Very high	90.2	Very high	92 Å²	92	83.5 Å²	83.5	64%	0.643	43%	0.427	S	S	*	.	S	Bend	trans	-78.8	-35.6	176.1	50.3	0	0	0	0	111.7	Y237	S221-Y237 PolarHBondContact N-OH 3.14Å; S221-Y237 PolarHBondContact OG-OH 3.11Å
222	E	91	Very high	90.2	Very high	138 Å²	138	85 Å²	85	65%	0.645	43%	0.43	S	S	*	.	S	Bend	trans	-82.9	-10.6	-177.8	-56.7	-63.5	167.5	0	0	114	Y237 H240	E222-Y237 HydrophobicContact CG-CE1 4.15Å; E222-H240 HydrophobicContact CG-CB 4.42Å
223	C	93.4	Very high	90.3	Very high	37 Å²	37	81.8 Å²	81.8	25%	0.25	42%	0.415	C	S	.	.	S	Bend	trans	-157.9	168.9	178.1	80	0	0	0	0	111.7	C220 K225 H236	C220-C223 CarbonylContact C-O 3.58Å; C220-C223 WeakPolarHBondContact CB-O 3.28Å; C220-C223 VanDerWaalsContact SG-SG 3.68Å; C223-K225 PolarHBondContact O-N 3.44Å; C223-K225 VanDerWaalsContact O-N 3.12Å; C223-H236 PolarHBondContact SG-NE2 2.9Å
224	E	89.9	Confident	90.4	Very high	178 Å²	178	80.7 Å²	80.7	83%	0.832	41%	0.411	S	S	*	.	S	Bend	trans	-76.6	2.8	-176.1	-59	-170.8	155.3	0	0	114.8	T226	E224-T226 PolarHBondContact O-N 2.88Å
225	K	91.1	Very high	90.7	Very high	122 Å²	122	82.1 Å²	82.1	53%	0.53	41%	0.408	S	S	.	.			trans	-71.5	135.1	-176.8	-67.2	-178.7	178.9	177.3	0	111.5	C220 C223 F227	C220-K225 WeakPolarHBondContact CB-O 3.36Å; C220-K225 PolarHBondContact N-O 3.45Å; C223-K225 PolarHBondContact O-N 3.44Å; C223-K225 VanDerWaalsContact O-N 3.12Å; K225-F227 HydrophobicContact CB-CE2 3.84Å; K225-F227 HydrophobicContact CB-CZ 3.94Å
226	T	91.4	Very high	91	Very high	52 Å²	52	78 Å²	78	32%	0.319	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.8	177.4	54.8	0	0	0	0	110.9	K216 Y218 K219 E224	K216-T226 WeakPolarHBondContact CD-OG1 3.49Å; Y218-T226 CarbonylContact O-C 3.56Å; Y218-T226 WeakPolarHBondContact O-CA 3.45Å; K219-T226 HydrophobicContact CB-CG2 4.06Å; K219-T226 HydrophobicContact CG-CG2 3.92Å; E224-T226 PolarHBondContact O-N 2.88Å
227	F	90.5	Very high	91.2	Very high	39 Å²	39	75.8 Å²	75.8	17%	0.171	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.9	-173.5	-58.3	-90.4	0	0	0	111.1	K216 L217 Y218 K225 H232 L233 H236	K216-F227 CarbonylContact C-O 3.56Å; K216-F227 WeakPolarHBondContact CA-O 3.5Å; L217-F227 PolarHBondContact N-O 2.91Å; Y218-F227 WeakPolarHBondContact CB-O 3.47Å; Y218-F227 PolarHBondContact N-O 3.14Å; Y218-F227 VanDerWaalsContact N-O 3.09Å; Y218-F227 PolarHBondContact O-N 3.04Å; K225-F227 HydrophobicContact CB-CE2 3.84Å; K225-F227 HydrophobicContact CB-CZ 3.94Å; F227-H232 HydrophobicContact CB-CB 4.33Å; F227-H232 HydrophobicContact CD1-CB 3.86Å; F227-H232 HydrophobicContact CG-CB 4.36Å; F227-L233 HydrophobicContact CB-CB 4.3Å; F227-L233 HydrophobicContact CD2-CB 3.9Å; F227-L233 HydrophobicContact CD2-CD1 3.72Å; F227-L233 HydrophobicContact CD2-CG 4.4Å; F227-L233 HydrophobicContact CE2-CD1 3.85Å; F227-L233 HydrophobicContact CG-CB 4.24Å; F227-H236 HydrophobicContact CE1-CB 3.94Å; F227-H236 HydrophobicContact CE2-CB 3.83Å; F227-H236 AromaticContact CE2-CD2 3.58Å; F227-H236 AromaticContact CE2-CG 3.65Å; F227-H236 HydrophobicContact CZ-CB 3.37Å; F227-H236 AromaticContact CZ-CD2 3.64Å; F227-H236 AromaticContact CZ-CG 3.24Å; F227-H236 AromaticContact CZ-ND1 3.73Å
228	R	87.9	Confident	91.5	Very high	97 Å²	97	73.3 Å²	73.3	37%	0.366	36%	0.361	S	S	.	.	S	Bend	trans	-82	-21.5	176.2	-63.3	-175.2	177.9	144.6	-4.7	113.4	K216 Y218	K216-R228 HydrophobicContact CG-CG 3.92Å; Y218-R228 WeakPolarHBondContact CE2-O 3.38Å
229	K	88.4	Confident	91.5	Very high	69 Å²	69	73.8 Å²	73.8	30%	0.3	37%	0.368	S	S	.	.	S	Bend	trans	-128.4	141.2	-178.2	-54.1	-168	-169.1	-151	0	111.3	E207 A231 H232 L233	E207-K229 WeakPolarHBondContact OE1-CE 3.38Å; E207-K229 IonicContact OE1-NZ 3.22Å; E207-K229 PolarHBondContact OE1-NZ 3.37Å; E207-K229 WeakPolarHBondContact OE2-CD 3.37Å; E207-K229 WeakPolarHBondContact OE2-CE 3.48Å; E207-K229 IonicContact OE2-NZ 3.87Å; E207-K229 PolarHBondContact OE2-NZ 2.78Å; K229-A231 VanDerWaalsContact C-N 3.28Å; K229-A231 PolarHBondContact O-N 3.24Å; K229-H232 PolarHBondContact O-N 3.29Å; K229-L233 PolarHBondContact O-N 3.46Å
230	Q	89.9	Confident	91.5	Very high	87 Å²	87	70.8 Å²	70.8	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-39.7	173.6	-177.6	59.4	35.3	0	0	112	Y218 H232 L233 S234	Y218-Q230 HydrophobicContact CD1-CB 4.06Å; Y218-Q230 HydrophobicContact CE1-CB 3.79Å; Q230-H232 VanDerWaalsContact C-N 3.3Å; Q230-H232 PolarHBondContact O-N 3.29Å; Q230-L233 WeakPolarHBondContact O-CB 3.29Å; Q230-L233 PolarHBondContact O-N 3.22Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; Q230-S234 PolarHBondContact NE2-OG 3.02Å; Q230-S234 PolarHBondContact O-N 3.34Å; Q230-S234 PolarHBondContact O-OG 3.46Å
231	A	90.3	Very high	91.4	Very high	68 Å²	68	74.7 Å²	74.7	56%	0.562	38%	0.38	S	S	*	.	H	α-helix	trans	-59.7	-39.8	180	0	0	0	0	0	112.4	K229 S234 E235	K229-A231 VanDerWaalsContact C-N 3.28Å; K229-A231 PolarHBondContact O-N 3.24Å; A231-S234 PolarHBondContact O-N 2.78Å; A231-E235 WeakPolarHBondContact O-CB 3.49Å; A231-E235 PolarHBondContact O-N 2.85Å
232	H	91.3	Very high	91.2	Very high	87 Å²	87	72.3 Å²	72.3	40%	0.403	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-35.4	176.8	-60.9	172.7	0	0	0	111.7	F227 K229 Q230 H236	F227-H232 HydrophobicContact CB-CB 4.33Å; F227-H232 HydrophobicContact CD1-CB 3.86Å; F227-H232 HydrophobicContact CG-CB 4.36Å; K229-H232 PolarHBondContact O-N 3.29Å; Q230-H232 VanDerWaalsContact C-N 3.3Å; Q230-H232 PolarHBondContact O-N 3.29Å; H232-H236 VanDerWaalsContact O-CB 3.25Å; H232-H236 WeakPolarHBondContact O-CB 3.36Å; H232-H236 PolarHBondContact O-N 3.31Å
233	L	93.6	Very high	91.3	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-46.7	172.5	173.8	61.4	0	0	0	111	C220 F227 K229 Q230 E235 H236 Y237	C220-L233 HydrophobicContact CB-CD1 3.83Å; F227-L233 HydrophobicContact CB-CB 4.3Å; F227-L233 HydrophobicContact CD2-CB 3.9Å; F227-L233 HydrophobicContact CD2-CD1 3.72Å; F227-L233 HydrophobicContact CD2-CG 4.4Å; F227-L233 HydrophobicContact CE2-CD1 3.85Å; F227-L233 HydrophobicContact CG-CB 4.24Å; K229-L233 PolarHBondContact O-N 3.46Å; Q230-L233 WeakPolarHBondContact O-CB 3.29Å; Q230-L233 PolarHBondContact O-N 3.22Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; L233-E235 VanDerWaalsContact C-N 3.3Å; L233-E235 PolarHBondContact O-N 3.03Å; L233-H236 WeakPolarHBondContact O-CB 3.46Å; L233-H236 PolarHBondContact O-N 3.36Å; L233-H236 VanDerWaalsContact O-N 3.14Å; L233-Y237 HydrophobicContact CD1-CD2 3.9Å; L233-Y237 HydrophobicContact CD1-CE2 3.5Å; L233-Y237 VanDerWaalsContact CD1-CE2 3.5Å; L233-Y237 HydrophobicContact CD2-CE2 3.96Å; L233-Y237 HydrophobicContact CG-CD2 3.89Å; L233-Y237 HydrophobicContact CG-CE2 3.54Å; L233-Y237 VanDerWaalsContact O-CD2 3.23Å; L233-Y237 WeakPolarHBondContact O-CD2 3.47Å; L233-Y237 PolarHBondContact O-N 3.06Å
234	S	91.9	Very high	91.3	Very high	58 Å²	58	74.9 Å²	74.9	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-39.5	176.3	-68.5	0	0	0	0	112.4	Q230 A231 Y237	Q230-S234 PolarHBondContact NE2-OG 3.02Å; Q230-S234 PolarHBondContact O-N 3.34Å; Q230-S234 PolarHBondContact O-OG 3.46Å; A231-S234 PolarHBondContact O-N 2.78Å; S234-Y237 PolarHBondContact O-N 3.45Å
235	E	91.3	Very high	91.4	Very high	66 Å²	66	69.9 Å²	69.9	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-39.2	173.7	-178.7	174.7	-132.1	0	0	112.1	A231 L233 Y237 R238 H257	A231-E235 WeakPolarHBondContact O-CB 3.49Å; A231-E235 PolarHBondContact O-N 2.85Å; L233-E235 VanDerWaalsContact C-N 3.3Å; L233-E235 PolarHBondContact O-N 3.03Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.46Å; E235-R238 WeakPolarHBondContact O-CB 3.4Å; E235-R238 PolarHBondContact O-N 3.38Å; E235-H257 WeakPolarHBondContact CG-CE1 3.37Å; E235-H257 IonicContact OE1-CE1 3.84Å; E235-H257 PolarHBondContact OE1-CE1 3.44Å; E235-H257 VanDerWaalsContact OE1-CE1 3.22Å; E235-H257 IonicContact OE1-CG 3.79Å; E235-H257 IonicContact OE1-ND1 2.61Å; E235-H257 PolarHBondContact OE1-ND1 3.35Å
236	H	93	Very high	91.6	Very high	15 Å²	15	67.5 Å²	67.5	7%	0.069	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-37.9	174.1	172.5	65.6	0	0	0	112.6	C223 F227 H232 L233 R238 I239 H240	C223-H236 PolarHBondContact SG-NE2 2.9Å; F227-H236 HydrophobicContact CE1-CB 3.94Å; F227-H236 HydrophobicContact CE2-CB 3.83Å; F227-H236 AromaticContact CE2-CD2 3.58Å; F227-H236 AromaticContact CE2-CG 3.65Å; F227-H236 HydrophobicContact CZ-CB 3.37Å; F227-H236 AromaticContact CZ-CD2 3.64Å; F227-H236 AromaticContact CZ-CG 3.24Å; F227-H236 AromaticContact CZ-ND1 3.73Å; H232-H236 VanDerWaalsContact O-CB 3.25Å; H232-H236 WeakPolarHBondContact O-CB 3.36Å; H232-H236 PolarHBondContact O-N 3.31Å; L233-H236 WeakPolarHBondContact O-CB 3.46Å; L233-H236 PolarHBondContact O-N 3.36Å; L233-H236 VanDerWaalsContact O-N 3.14Å; H236-R238 PolarHBondContact O-N 3.05Å; H236-R238 VanDerWaalsContact O-N 3.1Å; H236-I239 VanDerWaalsContact O-CB 3.25Å; H236-I239 WeakPolarHBondContact O-CB 3.38Å; H236-I239 VanDerWaalsContact O-CG1 3.27Å; H236-I239 WeakPolarHBondContact O-CG1 3.12Å; H236-I239 PolarHBondContact O-N 3.03Å; H236-H240 AromaticContact CD2-NE2 3.89Å; H236-H240 AromaticContact CE1-NE2 3.78Å; H236-H240 AromaticContact NE2-CD2 3.96Å; H236-H240 AromaticContact NE2-CE1 3.95Å; H236-H240 AromaticContact NE2-NE2 3.12Å; H236-H240 PolarHBondContact NE2-NE2 3.25Å; H236-H240 VanDerWaalsContact NE2-NE2 3.12Å
237	Y	91.9	Very high	91.7	Very high	63 Å²	63	70.7 Å²	70.7	25%	0.247	36%	0.359	C	S	.	.	H	α-helix	trans	-58.3	-25.2	177.6	-87.7	-67.3	0	0	0	113.5	S221 E222 L233 S234 E235 I239 H240 T241	S221-Y237 PolarHBondContact N-OH 3.14Å; S221-Y237 PolarHBondContact OG-OH 3.11Å; E222-Y237 HydrophobicContact CG-CE1 4.15Å; L233-Y237 HydrophobicContact CD1-CD2 3.9Å; L233-Y237 HydrophobicContact CD1-CE2 3.5Å; L233-Y237 VanDerWaalsContact CD1-CE2 3.5Å; L233-Y237 HydrophobicContact CD2-CE2 3.96Å; L233-Y237 HydrophobicContact CG-CD2 3.89Å; L233-Y237 HydrophobicContact CG-CE2 3.54Å; L233-Y237 VanDerWaalsContact O-CD2 3.23Å; L233-Y237 WeakPolarHBondContact O-CD2 3.47Å; L233-Y237 PolarHBondContact O-N 3.06Å; S234-Y237 PolarHBondContact O-N 3.45Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.46Å; Y237-I239 PolarHBondContact O-N 3.41Å; Y237-I239 VanDerWaalsContact O-N 3.11Å; Y237-H240 PolarHBondContact O-N 2.98Å; Y237-T241 PolarHBondContact O-N 3.34Å; Y237-T241 PolarHBondContact O-OG1 2.88Å
238	R	93.1	Very high	91.9	Very high	50 Å²	50	69 Å²	69	19%	0.189	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-13.4	173.8	-56	176.7	-177.5	159.3	1.9	113.8	E235 H236 T241 G242 E243 R256	E235-R238 WeakPolarHBondContact O-CB 3.4Å; E235-R238 PolarHBondContact O-N 3.38Å; H236-R238 PolarHBondContact O-N 3.05Å; H236-R238 VanDerWaalsContact O-N 3.1Å; R238-T241 WeakPolarHBondContact CA-OG1 3.39Å; R238-G242 PolarHBondContact O-N 3.42Å; R238-E243 HydrophobicContact CB-CB 4.4Å; R238-E243 HydrophobicContact CG-CB 4.33Å; R238-R256 HydrophobicContact CB-CG 3.6Å; R238-R256 HydrophobicContact CG-CG 4.44Å; R238-R256 PolarHBondContact NH1-O 3.45Å; R238-R256 PolarHBondContact O-NE 2.84Å; R238-R256 PolarHBondContact O-NH2 3.41Å
239	I	91.9	Very high	92.1	Very high	80 Å²	80	71.2 Å²	71.2	41%	0.41	38%	0.376	S	S	.	.	H	α-helix	trans	-70.8	-44.2	170.5	-56.9	-175.1	0	0	0	109.9	H236 Y237	H236-I239 VanDerWaalsContact O-CB 3.25Å; H236-I239 WeakPolarHBondContact O-CB 3.38Å; H236-I239 VanDerWaalsContact O-CG1 3.27Å; H236-I239 WeakPolarHBondContact O-CG1 3.12Å; H236-I239 PolarHBondContact O-N 3.03Å; Y237-I239 PolarHBondContact O-N 3.41Å; Y237-I239 VanDerWaalsContact O-N 3.11Å
240	H	92.4	Very high	92.1	Very high	79 Å²	79	71.2 Å²	71.2	37%	0.366	40%	0.395	S	S	.	.	H	α-helix	trans	-76.6	-42.9	-177.8	-56.2	-52.9	0	0	0	111.9	C220 E222 H236 Y237 G242	C220-H240 PolarHBondContact SG-NE2 3.32Å; E222-H240 HydrophobicContact CG-CB 4.42Å; H236-H240 AromaticContact CD2-NE2 3.89Å; H236-H240 AromaticContact CE1-NE2 3.78Å; H236-H240 AromaticContact NE2-CD2 3.96Å; H236-H240 AromaticContact NE2-CE1 3.95Å; H236-H240 AromaticContact NE2-NE2 3.12Å; H236-H240 PolarHBondContact NE2-NE2 3.25Å; H236-H240 VanDerWaalsContact NE2-NE2 3.12Å; Y237-H240 PolarHBondContact O-N 2.98Å; H240-G242 VanDerWaalsContact C-N 3.29Å; H240-G242 PolarHBondContact O-N 3.01Å
241	T	91.6	Very high	92.2	Very high	83 Å²	83	69.6 Å²	69.6	51%	0.509	39%	0.393	S	S	.	.	S	Bend	trans	-78.5	-14.2	-179.4	63	0	0	0	0	113.6	Y237 R238 E243	Y237-T241 PolarHBondContact O-N 3.34Å; Y237-T241 PolarHBondContact O-OG1 2.88Å; R238-T241 WeakPolarHBondContact CA-OG1 3.39Å; T241-E243 PolarHBondContact O-N 3.4Å; T241-E243 WeakPolarHBondContact OG1-CG 3.42Å; T241-E243 PolarHBondContact OG1-N 3.18Å
242	G	90.2	Very high	92.2	Very high	42 Å²	42	68.2 Å²	68.2	43%	0.433	39%	0.385	S	S	.	.			trans	70.8	3.7	-174.1	0	0	0	0	0	114.6	R238 H240 K244	R238-G242 PolarHBondContact O-N 3.42Å; H240-G242 VanDerWaalsContact C-N 3.29Å; H240-G242 PolarHBondContact O-N 3.01Å; G242-K244 PolarHBondContact O-N 3.02Å
243	E	92.8	Very high	92.3	Very high	109 Å²	109	70 Å²	70	51%	0.509	39%	0.392	S	S	.	.			trans	-57.9	132.4	-178.4	-77.8	177.6	-168.1	0	0	112.6	R238 T241	R238-E243 HydrophobicContact CB-CB 4.4Å; R238-E243 HydrophobicContact CG-CB 4.33Å; T241-E243 PolarHBondContact O-N 3.4Å; T241-E243 WeakPolarHBondContact OG1-CG 3.42Å; T241-E243 PolarHBondContact OG1-N 3.18Å
244	K	92.7	Very high	92.4	Very high	120 Å²	120	72 Å²	72	52%	0.522	41%	0.406	S	S	.	.			trans	-128.8	78.2	175.9	-66.5	-179.1	-173.1	177.2	0	110.3	G242 Y246 S254 F255	G242-K244 PolarHBondContact O-N 3.02Å; K244-Y246 PolarHBondContact O-N 3.38Å; K244-Y246 VanDerWaalsContact O-N 3.15Å; K244-S254 WeakPolarHBondContact CD-O 3.36Å; K244-F255 CarbonylContact C-O 3.48Å; K244-F255 VanDerWaalsContact C-O 3.25Å; K244-F255 VanDerWaalsContact CA-O 3.3Å; K244-F255 WeakPolarHBondContact CA-O 3.47Å
245	P	92.9	Very high	92.4	Very high	73 Å²	73	71.2 Å²	71.2	47%	0.474	40%	0.395	S	S	.	.			trans	-69.3	-13.9	-170.4	-19.4	32.8	0	0	0	114.8
246	Y	93.7	Very high	92.3	Very high	73 Å²	73	71.5 Å²	71.5	29%	0.286	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	98.6	-171	-56.9	-76.4	0	0	0	110.3	K244 S254 F255 R256 H257	K244-Y246 PolarHBondContact O-N 3.38Å; K244-Y246 VanDerWaalsContact O-N 3.15Å; Y246-S254 CarbonylContact O-C 3.56Å; Y246-S254 WeakPolarHBondContact O-CA 3.43Å; Y246-F255 PolarHBondContact N-O 3.47Å; Y246-F255 VanDerWaalsContact N-O 3.17Å; Y246-F255 PolarHBondContact O-N 3.21Å; Y246-R256 WeakPolarHBondContact CE2-O 3.47Å; Y246-H257 VanDerWaalsContact CD2-C 3.44Å
247	E	94.8	Very high	92.2	Very high	119 Å²	119	73.6 Å²	73.6	56%	0.556	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.9	179.4	-167.6	178.5	154.1	0	0	112.1	V249	E247-V249 PolarHBondContact O-N 3.15Å
248	C	94.6	Very high	92.2	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.014	41%	0.411	C	S	.	.			trans	-81	111.9	171.9	-174.6	0	0	0	0	110.1	G250 C251 G252 K253 F255 L261	C248-G250 PolarHBondContact O-N 2.87Å; C248-C251 PolarHBondContact O-N 3.49Å; C248-C251 VanDerWaalsContact SG-SG 3.67Å; C248-G252 WeakPolarHBondContact O-CA 3.29Å; C248-G252 PolarHBondContact O-N 2.98Å; C248-K253 WeakPolarHBondContact CB-O 3.46Å; C248-K253 PolarHBondContact N-O 3.09Å; C248-F255 HydrophobicContact CB-CE2 4.28Å; C248-L261 HydrophobicContact CB-CD1 3.55Å
249	V	91.1	Very high	92.1	Very high	145 Å²	145	74.8 Å²	74.8	88%	0.879	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.6	178.6	-177	0	0	0	0	112.6	E247 C251	E247-V249 PolarHBondContact O-N 3.15Å; V249-C251 PolarHBondContact O-N 2.88Å
250	G	88.1	Confident	92.1	Very high	69 Å²	69	72 Å²	72	71%	0.711	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.9	-177.6	0	0	0	0	0	115	C248	C248-G250 PolarHBondContact O-N 2.87Å
251	C	93.3	Very high	92.2	Very high	53 Å²	53	69.1 Å²	69.1	36%	0.358	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	4.9	-173.9	72.2	0	0	0	0	115.3	C248 V249 K253 H264	C248-C251 PolarHBondContact O-N 3.49Å; C248-C251 VanDerWaalsContact SG-SG 3.67Å; V249-C251 PolarHBondContact O-N 2.88Å; C251-K253 PolarHBondContact O-N 3.29Å; C251-K253 VanDerWaalsContact O-N 3.14Å; C251-H264 PolarHBondContact SG-NE2 3.32Å
252	G	90.8	Very high	92.2	Very high	38 Å²	38	69.8 Å²	69.8	39%	0.392	41%	0.405	S	S	.	.			trans	69.6	2.1	-179.9	0	0	0	0	0	115.4	C248 S254	C248-G252 WeakPolarHBondContact O-CA 3.29Å; C248-G252 PolarHBondContact O-N 2.98Å; G252-S254 PolarHBondContact O-N 3.28Å
253	K	93.1	Very high	92.3	Very high	126 Å²	126	76.3 Å²	76.3	55%	0.548	42%	0.416	S	S	.	.			trans	-71.6	125	-179.2	-71.6	-179.5	-178.9	176	0	110.9	C248 C251 F255	C248-K253 WeakPolarHBondContact CB-O 3.46Å; C248-K253 PolarHBondContact N-O 3.09Å; C251-K253 PolarHBondContact O-N 3.29Å; C251-K253 VanDerWaalsContact O-N 3.14Å; K253-F255 HydrophobicContact CB-CE2 3.8Å; K253-F255 HydrophobicContact CB-CZ 3.95Å; K253-F255 WeakPolarHBondContact O-CD2 3.39Å; K253-F255 WeakPolarHBondContact O-CE2 3.37Å
254	S	94.4	Very high	92.2	Very high	48 Å²	48	72.3 Å²	72.3	34%	0.336	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	144.6	176.3	-36.8	0	0	0	0	112.7	K244 Y246 G252	K244-S254 WeakPolarHBondContact CD-O 3.36Å; Y246-S254 CarbonylContact O-C 3.56Å; Y246-S254 WeakPolarHBondContact O-CA 3.43Å; G252-S254 PolarHBondContact O-N 3.28Å
255	F	92.2	Very high	92.1	Very high	43 Å²	43	70.2 Å²	70.2	19%	0.189	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.7	-177.6	-59.3	-90.4	0	0	0	111.1	K244 Y246 C248 K253 A260 L261 H264	K244-F255 CarbonylContact C-O 3.48Å; K244-F255 VanDerWaalsContact C-O 3.25Å; K244-F255 VanDerWaalsContact CA-O 3.3Å; K244-F255 WeakPolarHBondContact CA-O 3.47Å; Y246-F255 PolarHBondContact N-O 3.47Å; Y246-F255 VanDerWaalsContact N-O 3.17Å; Y246-F255 PolarHBondContact O-N 3.21Å; C248-F255 HydrophobicContact CB-CE2 4.28Å; K253-F255 HydrophobicContact CB-CE2 3.8Å; K253-F255 HydrophobicContact CB-CZ 3.95Å; K253-F255 WeakPolarHBondContact O-CD2 3.39Å; K253-F255 WeakPolarHBondContact O-CE2 3.37Å; F255-A260 HydrophobicContact CB-CB 4.23Å; F255-A260 HydrophobicContact CD1-CB 4Å; F255-A260 HydrophobicContact CG-CB 4.39Å; F255-L261 HydrophobicContact CB-CB 4.33Å; F255-L261 HydrophobicContact CD2-CB 3.93Å; F255-L261 HydrophobicContact CD2-CD1 3.82Å; F255-L261 HydrophobicContact CD2-CG 4.48Å; F255-L261 HydrophobicContact CE2-CD1 3.96Å; F255-L261 HydrophobicContact CG-CB 4.29Å; F255-H264 HydrophobicContact CE1-CB 3.98Å; F255-H264 HydrophobicContact CE2-CB 3.94Å; F255-H264 AromaticContact CE2-CD2 3.5Å; F255-H264 VanDerWaalsContact CE2-CD2 3.5Å; F255-H264 WeakPolarHBondContact CE2-CD2 3.11Å; F255-H264 AromaticContact CE2-CG 3.77Å; F255-H264 HydrophobicContact CZ-CB 3.45Å; F255-H264 VanDerWaalsContact CZ-CB 3.45Å; F255-H264 AromaticContact CZ-CD2 3.45Å; F255-H264 VanDerWaalsContact CZ-CD2 3.45Å; F255-H264 WeakPolarHBondContact CZ-CD2 3.42Å; F255-H264 AromaticContact CZ-CG 3.27Å; F255-H264 AromaticContact CZ-ND1 3.89Å
256	R	90.3	Very high	92	Very high	71 Å²	71	74.1 Å²	74.1	27%	0.268	40%	0.395	S	S	.	.	S	Bend	trans	-76.9	-27.6	178	-174.8	179.7	-68.2	139.2	-1.9	113.3	R238 Y246	R238-R256 HydrophobicContact CB-CG 3.6Å; R238-R256 HydrophobicContact CG-CG 4.44Å; R238-R256 PolarHBondContact NH1-O 3.45Å; R238-R256 PolarHBondContact O-NE 2.84Å; R238-R256 PolarHBondContact O-NH2 3.41Å; Y246-R256 WeakPolarHBondContact CE2-O 3.47Å
257	H	90.2	Very high	91.7	Very high	60 Å²	60	76.8 Å²	76.8	28%	0.278	41%	0.413	S	S	.	.	S	Bend	trans	-126.7	141.8	-175.3	-57.3	-93.2	0	0	0	110.6	E235 Y246 S259 A260 L261	E235-H257 WeakPolarHBondContact CG-CE1 3.37Å; E235-H257 IonicContact OE1-CE1 3.84Å; E235-H257 PolarHBondContact OE1-CE1 3.44Å; E235-H257 VanDerWaalsContact OE1-CE1 3.22Å; E235-H257 IonicContact OE1-CG 3.79Å; E235-H257 IonicContact OE1-ND1 2.61Å; E235-H257 PolarHBondContact OE1-ND1 3.35Å; Y246-H257 VanDerWaalsContact CD2-C 3.44Å; H257-S259 VanDerWaalsContact C-N 3.29Å; H257-S259 PolarHBondContact O-N 3.19Å; H257-A260 HydrophobicContact CB-CB 4.31Å; H257-A260 WeakPolarHBondContact O-CB 3.46Å; H257-A260 PolarHBondContact O-N 3.49Å; H257-L261 PolarHBondContact O-N 2.77Å
258	S	91.8	Very high	91.2	Very high	58 Å²	58	76 Å²	76	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-33.9	176.8	58.3	0	0	0	0	112.5	A260 L261 L262	S258-A260 VanDerWaalsContact C-N 3.3Å; S258-A260 PolarHBondContact O-N 3.08Å; S258-L261 PolarHBondContact O-N 2.83Å; S258-L262 WeakPolarHBondContact O-CG 3.32Å; S258-L262 PolarHBondContact O-N 3.27Å
259	S	91.9	Very high	90.4	Very high	80 Å²	80	79.6 Å²	79.6	56%	0.559	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-36.3	175.2	54.6	0	0	0	0	112.6	H257 L262 R263	H257-S259 VanDerWaalsContact C-N 3.29Å; H257-S259 PolarHBondContact O-N 3.19Å; S259-L262 PolarHBondContact O-N 2.9Å; S259-R263 WeakPolarHBondContact O-CB 3.25Å; S259-R263 PolarHBondContact O-N 3.42Å
260	A	92.2	Very high	89.1	Confident	20 Å²	20	76.1 Å²	76.1	17%	0.165	43%	0.433	C	S	.	.	H	α-helix	trans	-69	-40.8	175.6	0	0	0	0	0	111.5	F255 H257 S258 H264	F255-A260 HydrophobicContact CB-CB 4.23Å; F255-A260 HydrophobicContact CD1-CB 4Å; F255-A260 HydrophobicContact CG-CB 4.39Å; H257-A260 HydrophobicContact CB-CB 4.31Å; H257-A260 WeakPolarHBondContact O-CB 3.46Å; H257-A260 PolarHBondContact O-N 3.49Å; S258-A260 VanDerWaalsContact C-N 3.3Å; S258-A260 PolarHBondContact O-N 3.08Å; A260-H264 WeakPolarHBondContact O-CB 3.32Å; A260-H264 PolarHBondContact O-N 3.34Å
261	L	93.4	Very high	87.2	Confident	20 Å²	20	83 Å²	83	11%	0.105	45%	0.446	C	S	.	.	H	α-helix	trans	-61.9	-48.1	172.1	172.5	62	0	0	0	111.3	C248 F255 H257 S258 R263 H264 Q265	C248-L261 HydrophobicContact CB-CD1 3.55Å; F255-L261 HydrophobicContact CB-CB 4.33Å; F255-L261 HydrophobicContact CD2-CB 3.93Å; F255-L261 HydrophobicContact CD2-CD1 3.82Å; F255-L261 HydrophobicContact CD2-CG 4.48Å; F255-L261 HydrophobicContact CE2-CD1 3.96Å; F255-L261 HydrophobicContact CG-CB 4.29Å; H257-L261 PolarHBondContact O-N 2.77Å; S258-L261 PolarHBondContact O-N 2.83Å; L261-R263 VanDerWaalsContact C-N 3.33Å; L261-R263 PolarHBondContact O-N 2.98Å; L261-H264 CarbonylContact O-C 3.27Å; L261-H264 WeakPolarHBondContact O-CA 3.37Å; L261-H264 WeakPolarHBondContact O-CB 3.38Å; L261-H264 PolarHBondContact O-N 3.3Å; L261-Q265 HydrophobicContact CD1-CG 3.93Å; L261-Q265 HydrophobicContact CG-CG 4.31Å; L261-Q265 WeakPolarHBondContact O-CG 3.41Å; L261-Q265 PolarHBondContact O-N 2.91Å
262	L	91.7	Very high	86.9	Confident	97 Å²	97	84.5 Å²	84.5	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-58.7	-43.9	178.9	-77.2	168.7	0	0	0	111.8	S258 S259 H264 Q265 R266	S258-L262 WeakPolarHBondContact O-CG 3.32Å; S258-L262 PolarHBondContact O-N 3.27Å; S259-L262 PolarHBondContact O-N 2.9Å; L262-H264 VanDerWaalsContact C-N 3.33Å; L262-H264 PolarHBondContact O-N 3.39Å; L262-Q265 PolarHBondContact O-N 2.9Å; L262-R266 PolarHBondContact O-N 3.33Å
263	R	92.1	Very high	86.7	Confident	179 Å²	179	86.9 Å²	86.9	68%	0.675	45%	0.454	S	S	*	.	H	α-helix	trans	-63	-40.9	174.5	-178	175.5	62.2	-166.5	0	111.6	S259 L261 Q265 R266	S259-R263 WeakPolarHBondContact O-CB 3.25Å; S259-R263 PolarHBondContact O-N 3.42Å; L261-R263 VanDerWaalsContact C-N 3.33Å; L261-R263 PolarHBondContact O-N 2.98Å; R263-Q265 VanDerWaalsContact C-N 3.34Å; R263-R266 PolarHBondContact O-N 3.36Å
264	H	92	Very high	86.4	Confident	25 Å²	25	84.8 Å²	84.8	12%	0.116	45%	0.449	C	S	.	.	H	α-helix	trans	-64.5	-38.7	176.3	175.5	62.3	0	0	0	112.4	C251 F255 A260 L261 L262 R266 L267 H268	C251-H264 PolarHBondContact SG-NE2 3.32Å; F255-H264 HydrophobicContact CE1-CB 3.98Å; F255-H264 HydrophobicContact CE2-CB 3.94Å; F255-H264 AromaticContact CE2-CD2 3.5Å; F255-H264 VanDerWaalsContact CE2-CD2 3.5Å; F255-H264 WeakPolarHBondContact CE2-CD2 3.11Å; F255-H264 AromaticContact CE2-CG 3.77Å; F255-H264 HydrophobicContact CZ-CB 3.45Å; F255-H264 VanDerWaalsContact CZ-CB 3.45Å; F255-H264 AromaticContact CZ-CD2 3.45Å; F255-H264 VanDerWaalsContact CZ-CD2 3.45Å; F255-H264 WeakPolarHBondContact CZ-CD2 3.42Å; F255-H264 AromaticContact CZ-CG 3.27Å; F255-H264 AromaticContact CZ-ND1 3.89Å; A260-H264 WeakPolarHBondContact O-CB 3.32Å; A260-H264 PolarHBondContact O-N 3.34Å; L261-H264 CarbonylContact O-C 3.27Å; L261-H264 WeakPolarHBondContact O-CA 3.37Å; L261-H264 WeakPolarHBondContact O-CB 3.38Å; L261-H264 PolarHBondContact O-N 3.3Å; L262-H264 VanDerWaalsContact C-N 3.33Å; L262-H264 PolarHBondContact O-N 3.39Å; H264-R266 VanDerWaalsContact C-N 3.28Å; H264-R266 PolarHBondContact O-N 3.21Å; H264-L267 WeakPolarHBondContact O-CB 3.4Å; H264-L267 PolarHBondContact O-N 3.21Å; H264-L267 VanDerWaalsContact O-N 3.17Å; H264-H268 AromaticContact CD2-NE2 3.76Å; H264-H268 AromaticContact CE1-NE2 3.5Å; H264-H268 PolarHBondContact CE1-NE2 3.07Å; H264-H268 AromaticContact NE2-CD2 3.79Å; H264-H268 AromaticContact NE2-CE1 3.95Å; H264-H268 AromaticContact NE2-NE2 2.99Å; H264-H268 PolarHBondContact NE2-NE2 3.01Å
265	Q	90.5	Very high	85.9	Confident	75 Å²	75	86.9 Å²	86.9	35%	0.35	46%	0.455	S	S	.	.	H	α-helix	trans	-64.3	-31.1	178.4	-75.8	173.5	-35.5	0	0	113	L261 L262 R263 L267 H268 A269	L261-Q265 HydrophobicContact CD1-CG 3.93Å; L261-Q265 HydrophobicContact CG-CG 4.31Å; L261-Q265 WeakPolarHBondContact O-CG 3.41Å; L261-Q265 PolarHBondContact O-N 2.91Å; L262-Q265 PolarHBondContact O-N 2.9Å; R263-Q265 VanDerWaalsContact C-N 3.34Å; Q265-L267 PolarHBondContact O-N 3.24Å; Q265-H268 WeakPolarHBondContact O-CB 3.41Å; Q265-H268 PolarHBondContact O-N 3.09Å; Q265-H268 VanDerWaalsContact O-N 3.1Å; Q265-A269 PolarHBondContact O-N 3.23Å
266	R	90.3	Very high	85.5	Confident	156 Å²	156	89.7 Å²	89.7	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-61.2	-34.3	174.1	-66.9	178.1	-167.6	178.4	-1.2	112.7	L262 R263 H264 H268 A269 G270 E271	L262-R266 PolarHBondContact O-N 3.33Å; R263-R266 PolarHBondContact O-N 3.36Å; H264-R266 VanDerWaalsContact C-N 3.28Å; H264-R266 PolarHBondContact O-N 3.21Å; R266-H268 PolarHBondContact O-N 3.05Å; R266-A269 CarbonylContact O-C 3.53Å; R266-A269 WeakPolarHBondContact O-CA 3.47Å; R266-A269 PolarHBondContact O-N 2.93Å; R266-G270 PolarHBondContact O-N 3.12Å; R266-G270 VanDerWaalsContact O-N 3.15Å; R266-E271 PolarHBondContact O-N 3.06Å
267	L	87	Confident	85.2	Confident	128 Å²	128	90.9 Å²	90.9	67%	0.67	49%	0.485	S	S	*	.	H	α-helix	trans	-65.1	-26.9	176	-56.3	173.7	0	0	0	113	H264 Q265	H264-L267 WeakPolarHBondContact O-CB 3.4Å; H264-L267 PolarHBondContact O-N 3.21Å; H264-L267 VanDerWaalsContact O-N 3.17Å; Q265-L267 PolarHBondContact O-N 3.24Å
268	H	83.6	Confident	84.9	Confident	103 Å²	103	93.1 Å²	93.1	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-79	-25	172.2	-66	-65.1	0	0	0	112.4	H264 Q265 R266	H264-H268 AromaticContact CD2-NE2 3.76Å; H264-H268 AromaticContact CE1-NE2 3.5Å; H264-H268 PolarHBondContact CE1-NE2 3.07Å; H264-H268 AromaticContact NE2-CD2 3.79Å; H264-H268 AromaticContact NE2-CE1 3.95Å; H264-H268 AromaticContact NE2-NE2 2.99Å; H264-H268 PolarHBondContact NE2-NE2 3.01Å; Q265-H268 WeakPolarHBondContact O-CB 3.41Å; Q265-H268 PolarHBondContact O-N 3.09Å; Q265-H268 VanDerWaalsContact O-N 3.1Å; R266-H268 PolarHBondContact O-N 3.05Å
269	A	78.9	Confident	84.3	Confident	77 Å²	77	95.8 Å²	95.8	64%	0.636	51%	0.508	S	S	*	.	H	α-helix	trans	-86.2	-6	179.5	0	0	0	0	0	113.5	Q265 R266	Q265-A269 PolarHBondContact O-N 3.23Å; R266-A269 CarbonylContact O-C 3.53Å; R266-A269 WeakPolarHBondContact O-CA 3.47Å; R266-A269 PolarHBondContact O-N 2.93Å
270	G	63.9	Low	83.7	Confident	73 Å²	73	97.2 Å²	97.2	75%	0.753	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	21.6	177.4	0	0	0	0	0	115.2	R266	R266-G270 PolarHBondContact O-N 3.12Å; R266-G270 VanDerWaalsContact O-N 3.15Å
271	E	48.9	Very low	82.9	Confident	213 Å²	213	104.2 Å²	104.2	100%	0.995	53%	0.534	S	S	*	.			trans	-110.1	0	170.8	-73.1	-172.4	160.9	0	0	112.6	R266	R266-E271 PolarHBondContact O-N 3.06Å

Retrieved 271 of 271 residues in 490.7 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).