A0A087YL41_POEFO Loading...

Calumenin b

Involved in regulation of vitamin K-dependent carboxylation of multiple N-terminal glutamate residues. Seems to inhibit gamma-carboxylase GGCX. Binds 7 calcium ions with a low affinity.

AlphaFold DB , UniProt , Accession A0A087YL41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	43.6	Very low	232 Å²	232	158.7 Å²	158.7	100%	1.143	82%	0.818	S	S	*	*				0	108.4	0	-77.1	179.2	-79.9	0	0	105
2	E	40.8	Very low	43.9	Very low	185 Å²	185	158.9 Å²	158.9	86%	0.864	82%	0.82	S	S	*	*			cis	-135.9	147.5	24.4	-75.6	-90.5	110.8	0	0	109
3	L	42.4	Very low	43.6	Very low	154 Å²	154	155.1 Å²	155.1	81%	0.806	81%	0.813	S	S	*	*			trans	-124.9	151.3	-177.2	-152.1	119	0	0	0	105.8
4	R	46.4	Very low	43.5	Very low	226 Å²	226	151.4 Å²	151.4	85%	0.853	80%	0.8	S	S	*	*			trans	107.5	158.3	162	-56.2	-177.6	171.2	-167.1	-0.7	115.6
5	P	50.8	Low	43.2	Very low	106 Å²	106	149.1 Å²	149.1	69%	0.688	79%	0.794	S	S	*	*				-141	157.7	-79.3	33.9	-13	0	0	0	111.5
6	L	40.9	Very low	43	Very low	154 Å²	154	151.9 Å²	151.9	81%	0.806	79%	0.792	S	S	*	*			trans	-152.5	85.4	152.9	-119.3	143.1	0	0	0	110.4	M8	L6-M8 HydrophobicContact CD2-CB 4.27Å; L6-M8 HydrophobicContact CD2-CG 4.05Å; L6-M8 PolarHBondContact O-N 2.8Å; L6-M8 VanDerWaalsContact O-N 3.13Å
7	V	48.5	Very low	42.7	Very low	139 Å²	139	147.7 Å²	147.7	84%	0.842	79%	0.785	S	S	*	*			trans	-54.5	103.8	148.8	175.2	0	0	0	0	106.8
8	M	40.2	Very low	42.6	Very low	151 Å²	151	145.6 Å²	145.6	74%	0.744	78%	0.778	S	S	*	*			trans	-149.4	125.3	148.3	-90.8	-148.1	-147.5	0	0	108.6	L6	L6-M8 HydrophobicContact CD2-CB 4.27Å; L6-M8 HydrophobicContact CD2-CG 4.05Å; L6-M8 PolarHBondContact O-N 2.8Å; L6-M8 VanDerWaalsContact O-N 3.13Å
9	C	42.6	Very low	42.5	Very low	104 Å²	104	143.1 Å²	143.1	70%	0.703	77%	0.773	S	S	*	*			trans	76.5	63.8	160.9	-52.9	0	0	0	0	115.9	A11	C9-A11 HydrophobicContact CB-CB 4.25Å; C9-A11 PolarHBondContact O-N 3.25Å
10	F	44.5	Very low	42.1	Very low	230 Å²	230	145.1 Å²	145.1	100%	1.009	78%	0.775	S	S	*	*			trans	-60.7	79.9	134.1	-128.1	-89.3	0	0	0	107.2
11	A	43.9	Very low	41.9	Very low	65 Å²	65	143.7 Å²	143.7	54%	0.537	77%	0.774	S	S	.	*			trans	-121.1	107.7	172.5	0	0	0	0	0	106.4	C9 C13	C9-A11 HydrophobicContact CB-CB 4.25Å; C9-A11 PolarHBondContact O-N 3.25Å; A11-C13 PolarHBondContact O-N 3.28Å
12	L	47.3	Very low	41.6	Very low	161 Å²	161	138.7 Å²	138.7	84%	0.843	76%	0.756	S	S	*	*			trans	-23.1	101.1	155.4	-80	136.1	0	0	0	112.5	V14	L12-V14 HydrophobicContact CD2-CG2 4.5Å
13	C	38.9	Very low	41.3	Very low	109 Å²	109	138 Å²	138	74%	0.736	75%	0.753	S	S	*	*			trans	-117.2	61.9	153.7	-72.3	0	0	0	0	107.2	A11 V15	A11-C13 PolarHBondContact O-N 3.28Å; C13-V15 HydrophobicContact CB-CG2 4.44Å; C13-V15 PolarHBondContact O-N 3.12Å
14	V	42.6	Very low	40.9	Very low	103 Å²	103	139.7 Å²	139.7	62%	0.624	75%	0.754	S	S	*	*			trans	-62.3	93	141.5	177.8	0	0	0	0	103.1	L12 Y16	L12-V14 HydrophobicContact CD2-CG2 4.5Å; V14-Y16 HydrophobicContact CG1-CD2 3.75Å; V14-Y16 HydrophobicContact CG1-CE2 4.06Å; V14-Y16 PolarHBondContact O-N 2.72Å
15	V	38.8	Very low	40.3	Very low	117 Å²	117	137.8 Å²	137.8	71%	0.709	75%	0.752	S	S	*	*			trans	-64.6	92.2	162.9	179	0	0	0	0	103.4	C13 A17	C13-V15 HydrophobicContact CB-CG2 4.44Å; C13-V15 PolarHBondContact O-N 3.12Å; V15-A17 HydrophobicContact CG1-CB 4.4Å; V15-A17 PolarHBondContact O-N 2.83Å
16	Y	40.3	Very low	39.3	Very low	194 Å²	194	138.1 Å²	138.1	76%	0.761	75%	0.748	S	S	*	*			trans	-56.6	89.1	149.2	-98	-91.9	0	0	0	104.2	V14 T18	V14-Y16 HydrophobicContact CG1-CD2 3.75Å; V14-Y16 HydrophobicContact CG1-CE2 4.06Å; V14-Y16 PolarHBondContact O-N 2.72Å; Y16-T18 HydrophobicContact CD1-CG2 4.24Å; Y16-T18 PolarHBondContact O-N 2.65Å
17	A	38.1	Very low	38.9	Very low	81 Å²	81	142.5 Å²	142.5	67%	0.669	75%	0.754	S	S	*	*			trans	-67.5	76.5	153.5	0	0	0	0	0	104.6	V15 S19	V15-A17 HydrophobicContact CG1-CB 4.4Å; V15-A17 PolarHBondContact O-N 2.83Å; A17-S19 PolarHBondContact O-N 3.4Å
18	T	41.4	Very low	38.2	Very low	109 Å²	109	139.9 Å²	139.9	67%	0.669	74%	0.737	S	S	*	*			trans	-64.2	88.7	148	53	0	0	0	0	103.3	Y16 K20	Y16-T18 HydrophobicContact CD1-CG2 4.24Å; Y16-T18 PolarHBondContact O-N 2.65Å; T18-K20 PolarHBondContact O-N 2.99Å
19	S	39.5	Very low	37.7	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	74%	0.737	S	S	*	*			trans	-44.3	119.8	150.2	45.9	0	0	0	0	104.2	A17 P21	A17-S19 PolarHBondContact O-N 3.4Å; S19-P21 VanDerWaalsContact O-N 3.12Å
20	K	35.6	Very low	37.2	Very low	184 Å²	184	142.4 Å²	142.4	80%	0.8	74%	0.736	S	S	*	*			trans	-44.3	129.6	156.8	-79.8	-173.1	173.6	-173.5	0	104.2	T18 T22	T18-K20 PolarHBondContact O-N 2.99Å; K20-T22 PolarHBondContact O-N 3.44Å
21	P	36.4	Very low	37	Very low	116 Å²	116	137.9 Å²	137.9	75%	0.753	72%	0.723	S	S	*	*			trans	-54	110.6	163.9	9	-3	0	0	0	103	S19 E23	S19-P21 VanDerWaalsContact O-N 3.12Å; P21-E23 PolarHBondContact O-N 3.09Å
22	T	33.8	Very low	36.7	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	73%	0.726	S	S	*	*			trans	-56	106.9	158.3	-48.8	0	0	0	0	100.8	K20 K24	K20-T22 PolarHBondContact O-N 3.44Å; T22-K24 VanDerWaalsContact C-N 3.3Å; T22-K24 PolarHBondContact O-N 2.76Å
23	E	35.2	Very low	36.4	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	71%	0.711	S	S	*	*			trans	-44.8	115	160.6	-78.5	-180	168.2	0	0	103.1	P21 K25	P21-E23 PolarHBondContact O-N 3.09Å; E23-K25 PolarHBondContact O-N 2.71Å
24	K	33.9	Very low	36.5	Very low	190 Å²	190	135.8 Å²	135.8	83%	0.826	70%	0.7	S	S	*	*			trans	-54.9	101	161.5	-79.3	-178.9	174.6	-176	0	101.5	T22 D26	T22-K24 VanDerWaalsContact C-N 3.3Å; T22-K24 PolarHBondContact O-N 2.76Å; K24-D26 PolarHBondContact O-N 3.21Å
25	K	32.5	Very low	36.5	Very low	187 Å²	187	131 Å²	131	81%	0.813	67%	0.671	S	S	*	*			trans	-55.2	107	156.1	-73.2	-171.1	172.4	-169.1	0	101.6	E23 R27	E23-K25 PolarHBondContact O-N 2.71Å; K25-R27 PolarHBondContact O-N 2.87Å
26	D	30	Very low	36.9	Very low	113 Å²	113	131.7 Å²	131.7	60%	0.604	67%	0.671	S	S	*	*			trans	-45.9	118.6	169.2	-86.7	-42.1	0	0	0	105.1	K24 V28	K24-D26 PolarHBondContact O-N 3.21Å; D26-V28 HydrophobicContact CB-CB 4.4Å; D26-V28 PolarHBondContact O-N 3.48Å
27	R	33.4	Very low	37.3	Very low	246 Å²	246	127 Å²	127	93%	0.928	65%	0.654	S	S	*	*	S	Bend	trans	-70.7	-6.9	173.9	-65.8	176.4	76.2	168.3	2.2	110.1	K25 H29	K25-R27 PolarHBondContact O-N 2.87Å; R27-H29 PolarHBondContact O-N 2.78Å
28	V	33.6	Very low	37.6	Very low	83 Å²	83	131.8 Å²	131.8	50%	0.503	66%	0.663	S	S	.	*			trans	-78.1	96.5	166.7	-168.2	0	0	0	0	106.3	D26 H30	D26-V28 HydrophobicContact CB-CB 4.4Å; D26-V28 PolarHBondContact O-N 3.48Å; V28-H30 VanDerWaalsContact C-N 3.27Å; V28-H30 WeakPolarHBondContact CG1-ND1 3.31Å; V28-H30 PolarHBondContact O-N 2.92Å; V28-H30 PolarHBondContact O-ND1 3.14Å
29	H	29.8	Very low	37.8	Very low	159 Å²	159	129.5 Å²	129.5	74%	0.736	65%	0.645	S	S	*	*			trans	-53.8	110.5	142.9	-77.6	-89.4	0	0	0	104.5	R27 D31	R27-H29 PolarHBondContact O-N 2.78Å; H29-D31 PolarHBondContact O-N 2.73Å
30	H	32.3	Very low	38.1	Very low	149 Å²	149	129.5 Å²	129.5	69%	0.69	64%	0.637	S	S	*	*			trans	-69.2	89.2	162.6	-68.1	37.4	0	0	0	102.1	V28 D32	V28-H30 VanDerWaalsContact C-N 3.27Å; V28-H30 WeakPolarHBondContact CG1-ND1 3.31Å; V28-H30 PolarHBondContact O-N 2.92Å; V28-H30 PolarHBondContact O-ND1 3.14Å; H30-D32 PolarHBondContact O-N 2.88Å
31	D	38.6	Very low	38.6	Very low	136 Å²	136	124.5 Å²	124.5	73%	0.727	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.1	167.5	-67.1	-30.6	0	0	0	105.3	H29	H29-D31 PolarHBondContact O-N 2.73Å
32	D	38.5	Very low	39	Very low	112 Å²	112	122.5 Å²	122.5	60%	0.599	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-53.4	136.2	176.4	-72.6	-46.7	0	0	0	107.1	H30 L34 Q55	H30-D32 PolarHBondContact O-N 2.88Å; D32-L34 PolarHBondContact O-N 2.8Å; D32-Q55 VanDerWaalsContact CB-OE1 3.29Å
33	P	41.6	Very low	39.4	Very low	80 Å²	80	122.4 Å²	122.4	52%	0.519	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-52	138.8	-178.9	23	-33.6	0	0	0	109.3	S35 Q55	P33-S35 CarbonylContact C-O 3.3Å; P33-S35 VanDerWaalsContact CB-O 3.31Å; P33-S35 WeakPolarHBondContact CB-O 3.44Å; P33-S35 WeakPolarHBondContact CG-O 3.49Å; P33-S35 CarbonylContact O-C 3.33Å; P33-S35 WeakPolarHBondContact O-CA 3.18Å; P33-S35 PolarHBondContact O-N 3.3Å; P33-Q55 PolarHBondContact O-NE2 3.28Å
34	L	39.9	Very low	39.9	Very low	98 Å²	98	115.9 Å²	115.9	51%	0.513	58%	0.577	S	S	.	*	S	Bend	trans	-43.5	-33.8	-174.7	-68.9	171.3	0	0	0	113	D32 A51 Q55	D32-L34 PolarHBondContact O-N 2.8Å; L34-A51 HydrophobicContact CB-CB 4.23Å; L34-A51 HydrophobicContact CD1-CB 4.25Å; L34-Q55 VanDerWaalsContact O-CG 3.25Å; L34-Q55 WeakPolarHBondContact O-CG 3.28Å
35	S	43.4	Very low	40.6	Very low	3 Å²	3	109.9 Å²	109.9	2%	0.021	55%	0.552	C	S	.	*	S	Bend	trans	-126.6	151.5	163.6	178.7	0	0	0	0	112.3	P33 K37 E50	P33-S35 CarbonylContact C-O 3.3Å; P33-S35 VanDerWaalsContact CB-O 3.31Å; P33-S35 WeakPolarHBondContact CB-O 3.44Å; P33-S35 WeakPolarHBondContact CG-O 3.49Å; P33-S35 CarbonylContact O-C 3.33Å; P33-S35 WeakPolarHBondContact O-CA 3.18Å; P33-S35 PolarHBondContact O-N 3.3Å; S35-K37 PolarHBondContact O-N 3.09Å; S35-K37 WeakPolarHBondContact OG-CB 3.48Å; S35-K37 PolarHBondContact OG-N 3.1Å; S35-E50 WeakPolarHBondContact CA-OE2 3.23Å; S35-E50 WeakPolarHBondContact CB-OE2 3.45Å; S35-E50 PolarHBondContact OG-OE2 2.72Å
36	N	47.5	Very low	41	Very low	132 Å²	132	103.1 Å²	103.1	71%	0.706	52%	0.524	S	S	*	.	S	Bend	trans	-76.8	-0.4	167.7	-71.6	-50.1	0	0	0	113.5	E50	N36-E50 PolarHBondContact N-OE2 3.07Å
37	K	48	Very low	41.6	Very low	94 Å²	94	100.2 Å²	100.2	41%	0.409	51%	0.505	S	S	.	.	S	Bend	trans	-102.5	152.2	-179.3	-65.4	175.9	178.3	165.1	0	111.6	S35 H39 D46 Y47	S35-K37 PolarHBondContact O-N 3.09Å; S35-K37 WeakPolarHBondContact OG-CB 3.48Å; S35-K37 PolarHBondContact OG-N 3.1Å; K37-H39 PolarHBondContact O-N 3.32Å; K37-D46 HydrophobicContact CD-CB 3.92Å; K37-D46 VanDerWaalsContact NZ-CG 3.28Å; K37-D46 IonicContact NZ-OD2 2.87Å; K37-D46 PolarHBondContact NZ-OD2 2.94Å; K37-Y47 WeakPolarHBondContact O-CD2 3.21Å
38	E	44.8	Very low	42.1	Very low	183 Å²	183	92.7 Å²	92.7	86%	0.855	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-70.9	125.4	172.1	-84	-175.7	147.5	0	0	109.9	D40 N44	E38-D40 PolarHBondContact O-N 2.85Å; E38-N44 PolarHBondContact O-ND2 2.88Å
39	H	44.4	Very low	42.8	Very low	60 Å²	60	90.7 Å²	90.7	28%	0.278	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-60.8	124.6	172.3	-172.9	-122.9	0	0	0	110.5	K37 D41 Y47 D48	K37-H39 PolarHBondContact O-N 3.32Å; H39-D41 IonicContact CE1-OD1 3.8Å; H39-D41 PolarHBondContact CE1-OD1 3.26Å; H39-D41 IonicContact ND1-OD1 3.53Å; H39-D41 PolarHBondContact ND1-OD1 2.81Å; H39-D41 IonicContact NE2-OD1 3.7Å; H39-Y47 HydrophobicContact CB-CD1 4.09Å; H39-Y47 HydrophobicContact CB-CD2 3.85Å; H39-Y47 HydrophobicContact CB-CE1 3.91Å; H39-Y47 HydrophobicContact CB-CE2 3.71Å; H39-Y47 HydrophobicContact CB-CG 4.04Å; H39-Y47 AromaticContact CD2-CD1 3.05Å; H39-Y47 WeakPolarHBondContact CD2-CD1 3.17Å; H39-Y47 AromaticContact CD2-CE1 3.31Å; H39-Y47 WeakPolarHBondContact CD2-CE1 3.28Å; H39-Y47 AromaticContact CD2-CG 3.58Å; H39-Y47 AromaticContact CG-CD1 3.82Å; H39-Y47 AromaticContact CG-CE1 3.71Å; H39-Y47 AromaticContact NE2-CD1 3.9Å; H39-D48 IonicContact NE2-OD1 3.87Å
40	D	47.1	Very low	43.3	Very low	98 Å²	98	85.4 Å²	85.4	52%	0.524	44%	0.444	S	S	.	.			trans	-132	108.1	172.1	-171.8	-5.5	0	0	0	108.6	E38 A42 D43 N44	E38-D40 PolarHBondContact O-N 2.85Å; D40-A42 PolarHBondContact O-N 3.34Å; D40-D43 PolarHBondContact O-N 2.95Å; D40-N44 HydrophobicContact CB-CB 4.24Å; D40-N44 WeakPolarHBondContact O-CB 3.3Å; D40-N44 PolarHBondContact O-N 2.79Å; D40-N44 VanDerWaalsContact O-N 3.09Å
41	D	46.8	Very low	43.6	Very low	79 Å²	79	80.1 Å²	80.1	42%	0.422	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.6	-171.3	-49.9	-19.6	0	0	0	114.1	H39	H39-D41 IonicContact CE1-OD1 3.8Å; H39-D41 PolarHBondContact CE1-OD1 3.26Å; H39-D41 IonicContact ND1-OD1 3.53Å; H39-D41 PolarHBondContact ND1-OD1 2.81Å; H39-D41 IonicContact NE2-OD1 3.7Å
42	A	44.8	Very low	43.4	Very low	74 Å²	74	82.2 Å²	82.2	61%	0.612	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-28.9	-175.7	0	0	0	0	0	114.1	D40	D40-A42 PolarHBondContact O-N 3.34Å
43	D	41.7	Very low	43.4	Very low	126 Å²	126	79.6 Å²	79.6	67%	0.674	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.3	5.1	-166.1	-79.8	-47	0	0	0	115.2	D40 F45	D40-D43 PolarHBondContact O-N 2.95Å; D43-F45 PolarHBondContact O-N 3.31Å
44	N	45.9	Very low	43	Very low	31 Å²	31	77.2 Å²	77.2	17%	0.166	41%	0.405	C	S	.	.			trans	-96.8	68	-173.3	-155	-3	0	0	0	114.8	E38 D40 D46 Y47 D48	E38-N44 PolarHBondContact O-ND2 2.88Å; D40-N44 HydrophobicContact CB-CB 4.24Å; D40-N44 WeakPolarHBondContact O-CB 3.3Å; D40-N44 PolarHBondContact O-N 2.79Å; D40-N44 VanDerWaalsContact O-N 3.09Å; N44-D46 PolarHBondContact O-N 2.99Å; N44-Y47 WeakPolarHBondContact O-CB 3.22Å; N44-Y47 PolarHBondContact O-N 2.92Å; N44-Y47 PolarHBondContact OD1-N 3.32Å; N44-D48 PolarHBondContact O-N 3.34Å
45	F	47.8	Very low	42.8	Very low	65 Å²	65	74.4 Å²	74.4	29%	0.285	39%	0.389	S	S	.	.	H	α-helix	trans	-55	-31.1	173.2	-67.8	-84.9	0	0	0	113	D43 Y47 D48 H49 H272	D43-F45 PolarHBondContact O-N 3.31Å; F45-Y47 VanDerWaalsContact C-N 3.3Å; F45-Y47 PolarHBondContact O-N 3.43Å; F45-D48 PolarHBondContact O-N 3.14Å; F45-H49 WeakPolarHBondContact O-CB 3.46Å; F45-H49 PolarHBondContact O-N 2.96Å; F45-H49 PolarHBondContact O-ND1 3.15Å; F45-H49 VanDerWaalsContact O-ND1 3.14Å; F45-H272 AromaticContact CD2-CD2 3.96Å
46	D	42	Very low	42.5	Very low	44 Å²	44	82.1 Å²	82.1	24%	0.235	43%	0.425	C	S	.	.	H	α-helix	trans	-68.1	-29.2	179	-64	-22.2	0	0	0	112.7	K37 N44 E50 H272	K37-D46 HydrophobicContact CD-CB 3.92Å; K37-D46 VanDerWaalsContact NZ-CG 3.28Å; K37-D46 IonicContact NZ-OD2 2.87Å; K37-D46 PolarHBondContact NZ-OD2 2.94Å; N44-D46 PolarHBondContact O-N 2.99Å; D46-E50 WeakPolarHBondContact O-CB 3.44Å; D46-E50 WeakPolarHBondContact O-CG 3.06Å; D46-E50 PolarHBondContact O-N 2.75Å; D46-H272 IonicContact OD1-CE1 2.74Å
47	Y	42.2	Very low	42.2	Very low	53 Å²	53	81.1 Å²	81.1	21%	0.208	42%	0.416	C	S	.	.	H	α-helix	trans	-73.5	-46.5	176.5	-175.3	-82.8	0	0	0	111	K37 H39 N44 F45 H49 E50 A51	K37-Y47 WeakPolarHBondContact O-CD2 3.21Å; H39-Y47 HydrophobicContact CB-CD1 4.09Å; H39-Y47 HydrophobicContact CB-CD2 3.85Å; H39-Y47 HydrophobicContact CB-CE1 3.91Å; H39-Y47 HydrophobicContact CB-CE2 3.71Å; H39-Y47 HydrophobicContact CB-CG 4.04Å; H39-Y47 AromaticContact CD2-CD1 3.05Å; H39-Y47 WeakPolarHBondContact CD2-CD1 3.17Å; H39-Y47 AromaticContact CD2-CE1 3.31Å; H39-Y47 WeakPolarHBondContact CD2-CE1 3.28Å; H39-Y47 AromaticContact CD2-CG 3.58Å; H39-Y47 AromaticContact CG-CD1 3.82Å; H39-Y47 AromaticContact CG-CE1 3.71Å; H39-Y47 AromaticContact NE2-CD1 3.9Å; N44-Y47 WeakPolarHBondContact O-CB 3.22Å; N44-Y47 PolarHBondContact O-N 2.92Å; N44-Y47 PolarHBondContact OD1-N 3.32Å; F45-Y47 VanDerWaalsContact C-N 3.3Å; F45-Y47 PolarHBondContact O-N 3.43Å; Y47-H49 PolarHBondContact O-N 3.39Å; Y47-E50 PolarHBondContact O-N 3.16Å; Y47-A51 HydrophobicContact CE1-CB 4.46Å; Y47-A51 WeakPolarHBondContact O-CB 3.38Å; Y47-A51 PolarHBondContact O-N 2.7Å
48	D	44.2	Very low	41.8	Very low	88 Å²	88	79.2 Å²	79.2	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-35.4	176.9	-69.2	-14.8	0	0	0	111	H39 N44 F45 F52	H39-D48 IonicContact NE2-OD1 3.87Å; N44-D48 PolarHBondContact O-N 3.34Å; F45-D48 PolarHBondContact O-N 3.14Å; D48-F52 VanDerWaalsContact O-CB 3.25Å; D48-F52 WeakPolarHBondContact O-CB 3.48Å; D48-F52 PolarHBondContact O-N 3.23Å
49	H	47.5	Very low	41.6	Very low	41 Å²	41	76.4 Å²	76.4	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-70.5	-45.1	176.2	-70.5	8.2	0	0	0	113.2	F45 Y47 A51 L53 E269	F45-H49 WeakPolarHBondContact O-CB 3.46Å; F45-H49 PolarHBondContact O-N 2.96Å; F45-H49 PolarHBondContact O-ND1 3.15Å; F45-H49 VanDerWaalsContact O-ND1 3.14Å; Y47-H49 PolarHBondContact O-N 3.39Å; H49-A51 VanDerWaalsContact C-N 3.34Å; H49-L53 PolarHBondContact O-N 3.43Å; H49-E269 IonicContact CD2-OE2 3.32Å; H49-E269 IonicContact CE1-OE2 2.59Å; H49-E269 IonicContact NE2-OE2 2.82Å; H49-E269 PolarHBondContact NE2-OE2 3.42Å
50	E	41.1	Very low	41.7	Very low	48 Å²	48	75.6 Å²	75.6	22%	0.224	40%	0.402	C	S	.	.	H	α-helix	trans	-69.1	-32.3	177.1	-78.2	179.4	-159.6	0	0	112	S35 N36 D46 Y47 G54	S35-E50 WeakPolarHBondContact CA-OE2 3.23Å; S35-E50 WeakPolarHBondContact CB-OE2 3.45Å; S35-E50 PolarHBondContact OG-OE2 2.72Å; N36-E50 PolarHBondContact N-OE2 3.07Å; D46-E50 WeakPolarHBondContact O-CB 3.44Å; D46-E50 WeakPolarHBondContact O-CG 3.06Å; D46-E50 PolarHBondContact O-N 2.75Å; Y47-E50 PolarHBondContact O-N 3.16Å; E50-G54 WeakPolarHBondContact O-CA 3.38Å; E50-G54 PolarHBondContact O-N 2.79Å; E50-G54 VanDerWaalsContact O-N 3.14Å
51	A	37.3	Very low	41.6	Very low	37 Å²	37	76.5 Å²	76.5	31%	0.306	40%	0.401	S	S	.	.	H	α-helix	trans	-73.5	-34.6	176.7	0	0	0	0	0	113.4	L34 Y47 H49	L34-A51 HydrophobicContact CB-CB 4.23Å; L34-A51 HydrophobicContact CD1-CB 4.25Å; Y47-A51 HydrophobicContact CE1-CB 4.46Å; Y47-A51 WeakPolarHBondContact O-CB 3.38Å; Y47-A51 PolarHBondContact O-N 2.7Å; H49-A51 VanDerWaalsContact C-N 3.34Å
52	F	33.9	Very low	41.6	Very low	180 Å²	180	80 Å²	80	79%	0.789	42%	0.42	S	S	*	.	H	α-helix	trans	-80.3	-35.4	-178.8	-170.3	-99.6	0	0	0	113.6	D48	D48-F52 VanDerWaalsContact O-CB 3.25Å; D48-F52 WeakPolarHBondContact O-CB 3.48Å; D48-F52 PolarHBondContact O-N 3.23Å
53	L	38.9	Very low	42.1	Very low	58 Å²	58	82.8 Å²	82.8	30%	0.304	42%	0.42	S	S	.	.	H	α-helix	trans	-100	-16.4	-174.1	-60.8	169.8	0	0	0	113.4	H49 F305	H49-L53 PolarHBondContact O-N 3.43Å; L53-F305 HydrophobicContact CD1-CD1 4.4Å; L53-F305 HydrophobicContact CD1-CE1 3.54Å; L53-F305 HydrophobicContact CD1-CE2 3.66Å; L53-F305 HydrophobicContact CD1-CZ 3.1Å
54	G	33.9	Very low	43	Very low	30 Å²	30	78.6 Å²	78.6	31%	0.309	40%	0.398	S	S	.	.			trans	78.4	145	-177.8	0	0	0	0	0	113.1	E50 E56 E57	E50-G54 WeakPolarHBondContact O-CA 3.38Å; E50-G54 PolarHBondContact O-N 2.79Å; E50-G54 VanDerWaalsContact O-N 3.14Å; G54-E56 PolarHBondContact O-N 2.59Å; G54-E57 PolarHBondContact O-N 2.84Å
55	Q	35.3	Very low	44.6	Very low	39 Å²	39	80.2 Å²	80.2	18%	0.182	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.4	-176.2	-68	-164.1	-23.4	0	0	115.9	D32 P33 L34 K59	D32-Q55 VanDerWaalsContact CB-OE1 3.29Å; P33-Q55 PolarHBondContact O-NE2 3.28Å; L34-Q55 VanDerWaalsContact O-CG 3.25Å; L34-Q55 WeakPolarHBondContact O-CG 3.28Å; Q55-K59 WeakPolarHBondContact O-CD 3.41Å; Q55-K59 VanDerWaalsContact O-CE 3.26Å; Q55-K59 WeakPolarHBondContact O-CE 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.42Å
56	E	36.9	Very low	46	Very low	165 Å²	165	79.9 Å²	79.9	77%	0.771	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-24.5	-176.9	-66.5	-148.2	143.7	0	0	113.2	G54	G54-E56 PolarHBondContact O-N 2.59Å
57	E	41.5	Very low	47.8	Very low	111 Å²	111	84.4 Å²	84.4	52%	0.519	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-25	-174.2	-67.2	176.4	170.7	0	0	112.8	G54 K59 T60	G54-E57 PolarHBondContact O-N 2.84Å; E57-K59 PolarHBondContact O-N 2.8Å; E57-T60 PolarHBondContact O-OG1 3.38Å
58	A	39.7	Very low	49.5	Very low	53 Å²	53	85.7 Å²	85.7	44%	0.438	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-70.2	-5.5	169	0	0	0	0	0	113.9	T60	A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 PolarHBondContact O-N 2.93Å
59	K	40.8	Very low	50.9	Low	124 Å²	124	82 Å²	82	54%	0.539	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-84	4.6	-176.2	-72.9	173.8	-174.3	163.7	0	114.8	Q55 E57 F61	Q55-K59 WeakPolarHBondContact O-CD 3.41Å; Q55-K59 VanDerWaalsContact O-CE 3.26Å; Q55-K59 WeakPolarHBondContact O-CE 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.42Å; E57-K59 PolarHBondContact O-N 2.8Å; K59-F61 PolarHBondContact O-N 3.01Å
60	T	46.6	Very low	52.4	Low	44 Å²	44	83.3 Å²	83.3	27%	0.27	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-72.4	-4.6	168.3	38.2	0	0	0	0	113.5	E57 A58 D62 F305	E57-T60 PolarHBondContact O-OG1 3.38Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 PolarHBondContact O-N 2.93Å; T60-D62 PolarHBondContact O-N 3.15Å; T60-D62 VanDerWaalsContact O-N 3.11Å; T60-F305 PolarHBondContact OG1-O 2.71Å
61	F	44.4	Very low	54.3	Low	117 Å²	117	87 Å²	87	51%	0.513	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-56	-22.5	176.3	-171.6	-103.8	0	0	0	114.5	K59 Q63 V298	K59-F61 PolarHBondContact O-N 3.01Å; F61-Q63 PolarHBondContact O-N 3.24Å; F61-V298 HydrophobicContact CD2-CG1 4.14Å
62	D	47.9	Very low	56.2	Low	151 Å²	151	87.4 Å²	87.4	81%	0.807	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-90.3	5.5	-169.7	-94	-9.9	0	0	0	116	T60	T60-D62 PolarHBondContact O-N 3.15Å; T60-D62 VanDerWaalsContact O-N 3.11Å
63	Q	54.9	Low	58.3	Low	134 Å²	134	78.9 Å²	78.9	63%	0.626	40%	0.4	S	S	*	.	S	Bend	trans	-96.9	-18.1	-171.2	-61.8	-169.6	14.1	0	0	116	F61 T310	F61-Q63 PolarHBondContact O-N 3.24Å; Q63-T310 HydrophobicContact CB-CG2 4.49Å
64	L	61.2	Low	60.3	Low	38 Å²	38	76.2 Å²	76.2	20%	0.199	39%	0.387	C	S	.	.	S	Bend	trans	-127.3	145.8	-176.4	-65.8	174.8	0	0	0	111.9	E68 S69 L309	L64-E68 HydrophobicContact CB-CB 4.36Å; L64-E68 HydrophobicContact CD2-CB 4.35Å; L64-S69 WeakPolarHBondContact CB-OG 3.32Å; L64-L309 HydrophobicContact CD1-CB 4.01Å; L64-L309 WeakPolarHBondContact CD1-O 3.42Å
65	T	78.5	Confident	62.5	Low	64 Å²	64	78.1 Å²	78.1	39%	0.393	39%	0.388	S	S	.	.			trans	-67.8	156.2	170.8	57.9	0	0	0	0	110.9	E67 E68 S69	T65-E67 PolarHBondContact O-N 3.27Å; T65-E68 WeakPolarHBondContact CB-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 3.02Å; T65-E68 PolarHBondContact O-N 3.2Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E68 WeakPolarHBondContact OG1-CB 3.34Å; T65-E68 VanDerWaalsContact OG1-CD 3.26Å; T65-E68 VanDerWaalsContact OG1-CG 3.22Å; T65-E68 WeakPolarHBondContact OG1-CG 3.13Å; T65-E68 PolarHBondContact OG1-N 3.34Å; T65-E68 PolarHBondContact OG1-OE2 3.27Å; T65-S69 PolarHBondContact O-N 2.87Å; T65-S69 PolarHBondContact O-OG 2.98Å
66	P	76.6	Confident	64.6	Low	58 Å²	58	76.3 Å²	76.3	38%	0.377	38%	0.38	S	S	.	.	H	α-helix	trans	-54.2	-37.7	174.3	-27.6	35.9	0	0	0	112.5	K70 Y294	P66-K70 WeakPolarHBondContact O-CB 3.28Å; P66-K70 WeakPolarHBondContact O-CG 3.08Å; P66-K70 PolarHBondContact O-N 3.5Å; P66-Y294 HydrophobicContact CB-CE2 4.21Å
67	E	81.1	Confident	66.9	Low	140 Å²	140	68.8 Å²	68.8	65%	0.654	35%	0.345	S	S	*	.	H	α-helix	trans	-65.7	-44	177.3	-68.6	74.7	-165.3	0	0	112.7	T65 K70 E71	T65-E67 PolarHBondContact O-N 3.27Å; E67-K70 PolarHBondContact O-N 3.05Å; E67-E71 PolarHBondContact O-N 3.18Å
68	E	77.7	Confident	68.9	Low	80 Å²	80	69.5 Å²	69.5	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-39.5	176.7	-72.9	166.5	136.9	0	0	111.7	L64 T65 K70 E71 R72	L64-E68 HydrophobicContact CB-CB 4.36Å; L64-E68 HydrophobicContact CD2-CB 4.35Å; T65-E68 WeakPolarHBondContact CB-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 3.02Å; T65-E68 PolarHBondContact O-N 3.2Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E68 WeakPolarHBondContact OG1-CB 3.34Å; T65-E68 VanDerWaalsContact OG1-CD 3.26Å; T65-E68 VanDerWaalsContact OG1-CG 3.22Å; T65-E68 WeakPolarHBondContact OG1-CG 3.13Å; T65-E68 PolarHBondContact OG1-N 3.34Å; T65-E68 PolarHBondContact OG1-OE2 3.27Å; E68-K70 VanDerWaalsContact C-N 3.33Å; E68-K70 PolarHBondContact O-N 2.9Å; E68-E71 PolarHBondContact O-N 2.93Å; E68-R72 WeakPolarHBondContact O-CB 3.4Å; E68-R72 WeakPolarHBondContact O-CG 3.46Å; E68-R72 PolarHBondContact O-N 3.17Å
69	S	73.8	Confident	70.9	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-43	176.6	-58.3	0	0	0	0	110.9	L64 T65 R72 L73	L64-S69 WeakPolarHBondContact CB-OG 3.32Å; T65-S69 PolarHBondContact O-N 2.87Å; T65-S69 PolarHBondContact O-OG 2.98Å; S69-R72 PolarHBondContact O-N 2.84Å; S69-L73 WeakPolarHBondContact O-CB 3.48Å; S69-L73 PolarHBondContact O-N 3.06Å
70	K	79.4	Confident	73.1	Confident	69 Å²	69	65.6 Å²	65.6	30%	0.3	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-41.7	175	-76.2	-176.1	179.3	-159.3	0	113.1	P66 E67 E68 G74 V291 Y294	P66-K70 WeakPolarHBondContact O-CB 3.28Å; P66-K70 WeakPolarHBondContact O-CG 3.08Å; P66-K70 PolarHBondContact O-N 3.5Å; E67-K70 PolarHBondContact O-N 3.05Å; E68-K70 VanDerWaalsContact C-N 3.33Å; E68-K70 PolarHBondContact O-N 2.9Å; K70-G74 PolarHBondContact O-N 3.22Å; K70-V291 HydrophobicContact CB-CG1 3.68Å; K70-V291 HydrophobicContact CD-CG1 3.95Å; K70-V291 WeakPolarHBondContact CE-O 3.5Å; K70-V291 HydrophobicContact CG-CG1 3.71Å; K70-Y294 HydrophobicContact CD-CD1 4.41Å; K70-Y294 HydrophobicContact CG-CD1 4.26Å; K70-Y294 HydrophobicContact CG-CG 4.02Å
71	E	80.5	Confident	75.2	Confident	126 Å²	126	64.3 Å²	64.3	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-48.3	176.6	-179.4	173.5	-163.9	0	0	111.3	E67 E68 G74 M75	E67-E71 PolarHBondContact O-N 3.18Å; E68-E71 PolarHBondContact O-N 2.93Å; E71-G74 PolarHBondContact O-N 3.3Å; E71-M75 HydrophobicContact CG-CE 3.96Å; E71-M75 PolarHBondContact O-N 2.94Å; E71-M75 VanDerWaalsContact O-N 3.15Å
72	R	75.7	Confident	77.2	Confident	46 Å²	46	63.9 Å²	63.9	17%	0.174	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-44.4	179.3	-72.8	-170.4	-165.6	-154.8	5.9	112	E68 S69 G74 M75 L76 L309 T310 F315	E68-R72 WeakPolarHBondContact O-CB 3.4Å; E68-R72 WeakPolarHBondContact O-CG 3.46Å; E68-R72 PolarHBondContact O-N 3.17Å; S69-R72 PolarHBondContact O-N 2.84Å; R72-G74 VanDerWaalsContact C-N 3.25Å; R72-G74 PolarHBondContact O-N 2.74Å; R72-M75 WeakPolarHBondContact O-CB 3.44Å; R72-M75 PolarHBondContact O-N 3.33Å; R72-L76 PolarHBondContact O-N 3.49Å; R72-L309 HydrophobicContact CB-CD2 3.88Å; R72-L309 WeakPolarHBondContact CD-O 3.47Å; R72-L309 PolarHBondContact NE-O 3.13Å; R72-L309 PolarHBondContact NH1-O 2.76Å; R72-T310 PolarHBondContact NH1-O 2.87Å; R72-F315 HydrophobicContact CB-CD1 4.27Å; R72-F315 HydrophobicContact CB-CE1 3.45Å; R72-F315 VanDerWaalsContact CB-CE1 3.45Å; R72-F315 HydrophobicContact CB-CE2 4.33Å; R72-F315 HydrophobicContact CB-CZ 3.49Å; R72-F315 VanDerWaalsContact CB-CZ 3.49Å; R72-F315 HydrophobicContact CG-CD1 4.28Å; R72-F315 HydrophobicContact CG-CD2 4.47Å; R72-F315 HydrophobicContact CG-CE1 3.8Å; R72-F315 HydrophobicContact CG-CE2 3.99Å; R72-F315 HydrophobicContact CG-CZ 3.65Å; R72-F315 VanDerWaalsContact O-CE1 3.3Å; R72-F315 WeakPolarHBondContact O-CE1 3.12Å
73	L	78.3	Confident	79.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-39.4	174.2	-172.8	62	0	0	0	111	S69 M75 L76 V77 I290 F297 T303	S69-L73 WeakPolarHBondContact O-CB 3.48Å; S69-L73 PolarHBondContact O-N 3.06Å; L73-M75 VanDerWaalsContact C-N 3.29Å; L73-M75 PolarHBondContact O-N 2.85Å; L73-L76 HydrophobicContact CD1-CD2 4.04Å; L73-L76 VanDerWaalsContact O-CB 3.28Å; L73-L76 WeakPolarHBondContact O-CB 3.49Å; L73-L76 PolarHBondContact O-N 2.77Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-V77 WeakPolarHBondContact O-CG2 3.5Å; L73-V77 PolarHBondContact O-N 3.46Å; L73-I290 HydrophobicContact CD1-CG2 3.98Å; L73-I290 HydrophobicContact CD2-CG2 3.81Å; L73-I290 WeakPolarHBondContact CD2-O 3.45Å; L73-I290 HydrophobicContact CG-CG2 3.76Å; L73-F297 HydrophobicContact CD1-CB 3.88Å; L73-F297 HydrophobicContact CD1-CG 4.34Å; L73-F297 HydrophobicContact CD2-CB 3.82Å; L73-F297 HydrophobicContact CD2-CG 4.33Å; L73-T303 HydrophobicContact CD1-CG2 4.34Å
74	G	82.1	Confident	81.1	Confident	3 Å²	3	63.4 Å²	63.4	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-32.8	174.1	0	0	0	0	0	114.3	K70 E71 R72 K287	K70-G74 PolarHBondContact O-N 3.22Å; E71-G74 PolarHBondContact O-N 3.3Å; R72-G74 VanDerWaalsContact C-N 3.25Å; R72-G74 PolarHBondContact O-N 2.74Å; G74-K287 VanDerWaalsContact O-CE 3.25Å; G74-K287 WeakPolarHBondContact O-CE 3.41Å; G74-K287 PolarHBondContact O-NZ 3.49Å
75	M	79.6	Confident	82.5	Confident	69 Å²	69	64.6 Å²	64.6	34%	0.34	31%	0.311	S	S	.	.	H	α-helix	trans	-75.1	-35.7	172.6	-65.9	177	-172.8	0	0	111.5	E71 R72 L73 V77 E78 F315	E71-M75 HydrophobicContact CG-CE 3.96Å; E71-M75 PolarHBondContact O-N 2.94Å; E71-M75 VanDerWaalsContact O-N 3.15Å; R72-M75 WeakPolarHBondContact O-CB 3.44Å; R72-M75 PolarHBondContact O-N 3.33Å; L73-M75 VanDerWaalsContact C-N 3.29Å; L73-M75 PolarHBondContact O-N 2.85Å; M75-V77 VanDerWaalsContact C-N 3.33Å; M75-V77 PolarHBondContact O-N 2.99Å; M75-E78 WeakPolarHBondContact O-CB 3.49Å; M75-E78 PolarHBondContact O-N 3.16Å; M75-F315 HydrophobicContact CB-CD1 3.72Å; M75-F315 HydrophobicContact CB-CE1 4.3Å; M75-F315 HydrophobicContact CG-CD1 4.31Å; M75-F315 HydrophobicContact SD-CB 3.86Å; M75-F315 HydrophobicContact SD-CD1 3.68Å; M75-F315 HydrophobicContact SD-CG 4.06Å
76	L	80.1	Confident	83.1	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-43.2	176	-165.3	67	0	0	0	111.3	R72 L73 E78 R79 I80 W96 T303	R72-L76 PolarHBondContact O-N 3.49Å; L73-L76 HydrophobicContact CD1-CD2 4.04Å; L73-L76 VanDerWaalsContact O-CB 3.28Å; L73-L76 WeakPolarHBondContact O-CB 3.49Å; L73-L76 PolarHBondContact O-N 2.77Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L76-E78 PolarHBondContact O-N 3.49Å; L76-E78 VanDerWaalsContact O-N 3.17Å; L76-R79 WeakPolarHBondContact O-CA 3.49Å; L76-R79 WeakPolarHBondContact O-CB 3.34Å; L76-R79 PolarHBondContact O-N 3.18Å; L76-I80 HydrophobicContact CD2-CD1 4.39Å; L76-I80 HydrophobicContact CG-CD1 4.11Å; L76-I80 HydrophobicContact CG-CG1 4.42Å; L76-I80 WeakPolarHBondContact O-CG1 3.43Å; L76-I80 PolarHBondContact O-N 2.82Å; L76-W96 HydrophobicContact CD1-CH2 3.89Å; L76-W96 HydrophobicContact CD1-CZ2 3.26Å; L76-W96 HydrophobicContact CG-CZ2 4.17Å; L76-T303 HydrophobicContact CD2-CG2 3.89Å
77	V	84.6	Confident	83.9	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-52.5	-39.1	176.6	172.6	0	0	0	0	112	L73 M75 R79 I80 D81 V88 K287 I290	L73-V77 WeakPolarHBondContact O-CG2 3.5Å; L73-V77 PolarHBondContact O-N 3.46Å; M75-V77 VanDerWaalsContact C-N 3.33Å; M75-V77 PolarHBondContact O-N 2.99Å; V77-R79 PolarHBondContact O-N 3.4Å; V77-I80 PolarHBondContact O-N 3.34Å; V77-D81 WeakPolarHBondContact O-CB 3.36Å; V77-D81 PolarHBondContact O-N 3.22Å; V77-V88 HydrophobicContact CG1-CG2 3.94Å; V77-K287 HydrophobicContact CB-CG 4.41Å; V77-K287 HydrophobicContact CG1-CB 3.99Å; V77-K287 HydrophobicContact CG1-CG 4.27Å; V77-I290 HydrophobicContact CG1-CD1 4.28Å; V77-I290 HydrophobicContact CG2-CB 3.94Å; V77-I290 HydrophobicContact CG2-CD1 3.62Å; V77-I290 HydrophobicContact CG2-CG1 4.36Å; V77-I290 HydrophobicContact CG2-CG2 3.67Å
78	E	82.9	Confident	84.4	Confident	126 Å²	126	57.6 Å²	57.6	59%	0.589	28%	0.279	S	S	*	.	H	α-helix	trans	-68.8	-17.5	179.1	-62	177	-164.1	0	0	113.5	M75 L76 K287	M75-E78 WeakPolarHBondContact O-CB 3.49Å; M75-E78 PolarHBondContact O-N 3.16Å; L76-E78 PolarHBondContact O-N 3.49Å; L76-E78 VanDerWaalsContact O-N 3.17Å; E78-K287 IonicContact OE1-NZ 3.75Å; E78-K287 PolarHBondContact OE1-NZ 2.67Å
79	R	82.8	Confident	85.1	Confident	94 Å²	94	55.4 Å²	55.4	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-91.7	-29.9	172.8	-62.3	-174	177.2	-164.5	0.6	112.3	L76 V77 W96 D313 E314 F315	L76-R79 WeakPolarHBondContact O-CA 3.49Å; L76-R79 WeakPolarHBondContact O-CB 3.34Å; L76-R79 PolarHBondContact O-N 3.18Å; V77-R79 PolarHBondContact O-N 3.4Å; R79-W96 HydrophobicContact CB-CE3 4.39Å; R79-W96 HydrophobicContact CB-CH2 4.14Å; R79-W96 HydrophobicContact CB-CZ3 3.76Å; R79-D313 PolarHBondContact NH1-O 3.29Å; R79-E314 PolarHBondContact NE-O 2.94Å; R79-E314 VanDerWaalsContact NH1-C 3.27Å; R79-E314 PolarHBondContact NH1-O 2.98Å; R79-E314 PolarHBondContact NH2-O 2.9Å; R79-F315 PolarHBondContact NH2-OXT 3.13Å
80	I	86.4	Confident	86	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-72.1	-43	175.7	-56.1	169.4	0	0	0	110.2	L76 V77 E82 V88 E92 M93 W96	L76-I80 HydrophobicContact CD2-CD1 4.39Å; L76-I80 HydrophobicContact CG-CD1 4.11Å; L76-I80 HydrophobicContact CG-CG1 4.42Å; L76-I80 WeakPolarHBondContact O-CG1 3.43Å; L76-I80 PolarHBondContact O-N 2.82Å; V77-I80 PolarHBondContact O-N 3.34Å; I80-E82 PolarHBondContact O-N 2.97Å; I80-V88 HydrophobicContact CB-CG1 4.43Å; I80-V88 HydrophobicContact CB-CG2 4.21Å; I80-V88 HydrophobicContact CG2-CB 4.41Å; I80-V88 HydrophobicContact CG2-CG1 3.44Å; I80-V88 VanDerWaalsContact CG2-CG1 3.44Å; I80-V88 HydrophobicContact CG2-CG2 4.07Å; I80-E92 HydrophobicContact CG2-CB 4.35Å; I80-M93 HydrophobicContact CD1-CE 4.41Å; I80-M93 HydrophobicContact CD1-SD 4.2Å; I80-M93 HydrophobicContact CG2-SD 4.36Å; I80-W96 HydrophobicContact CB-CB 4.44Å; I80-W96 HydrophobicContact CB-CG 4.42Å; I80-W96 HydrophobicContact CD1-CG 4.28Å; I80-W96 HydrophobicContact CG1-CB 4.06Å; I80-W96 HydrophobicContact CG1-CD2 3.74Å; I80-W96 HydrophobicContact CG1-CE3 4.31Å; I80-W96 HydrophobicContact CG1-CG 3.56Å; I80-W96 HydrophobicContact CG2-CB 3.99Å; I80-W96 HydrophobicContact CG2-CG 4.4Å
81	D	89.8	Confident	86.6	Confident	16 Å²	16	57.8 Å²	57.8	9%	0.086	29%	0.285	C	S	.	.			trans	-69	88.7	174.5	179.1	5.1	0	0	0	110.4	V77 K84 D85 G86 V88	V77-D81 WeakPolarHBondContact O-CB 3.36Å; V77-D81 PolarHBondContact O-N 3.22Å; D81-K84 WeakPolarHBondContact OD1-CA 3.26Å; D81-K84 PolarHBondContact OD1-N 3.48Å; D81-K84 WeakPolarHBondContact OD2-CA 3.16Å; D81-D85 PolarHBondContact OD1-N 3.45Å; D81-G86 VanDerWaalsContact OD2-CA 3.32Å; D81-G86 WeakPolarHBondContact OD2-CA 3.3Å; D81-G86 PolarHBondContact OD2-N 2.87Å; D81-V88 HydrophobicContact CB-CG2 4.27Å
82	E	87.9	Confident	87.1	Confident	109 Å²	109	52 Å²	52	51%	0.509	26%	0.257	S	S	.	.	S	Bend	trans	-72.3	-38.3	-175	-75.2	-179.8	169.1	0	0	111.7	I80 E92 R95	I80-E82 PolarHBondContact O-N 2.97Å; E82-E92 PolarHBondContact N-OE1 3.02Å; E82-R95 IonicContact OE1-NE 2.81Å; E82-R95 PolarHBondContact OE1-NE 2.82Å; E82-R95 IonicContact OE2-CZ 2.76Å; E82-R95 VanDerWaalsContact OE2-CZ 3.22Å; E82-R95 IonicContact OE2-NE 2.79Å; E82-R95 PolarHBondContact OE2-NE 3.5Å; E82-R95 IonicContact OE2-NH2 3.22Å; E82-R95 PolarHBondContact OE2-NH2 2.85Å
83	D	91.5	Very high	87.8	Confident	104 Å²	104	49.8 Å²	49.8	56%	0.556	25%	0.249	S	C	*	.	S	Bend	trans	-89.3	-9.8	-175.9	82	5.3	0	0	0	113.9	D85	D83-D85 VanDerWaalsContact C-N 3.28Å; D83-D85 WeakPolarHBondContact OD1-CB 3.28Å; D83-D85 VanDerWaalsContact OD1-CG 3.23Å; D83-D85 PolarHBondContact OD1-N 3.19Å
84	K	91.9	Very high	88.3	Confident	170 Å²	170	51.1 Å²	51.1	74%	0.739	26%	0.255	S	S	*	.			trans	63.8	32.4	175.9	-53.3	-173.5	179	-168.1	0	112.5	D81	D81-K84 WeakPolarHBondContact OD1-CA 3.26Å; D81-K84 PolarHBondContact OD1-N 3.48Å; D81-K84 WeakPolarHBondContact OD2-CA 3.16Å
85	D	92.1	Very high	88.5	Confident	64 Å²	64	55.9 Å²	55.9	34%	0.342	27%	0.272	S	S	.	.	S	Bend	trans	-79.6	-7	175	84.7	-3.4	0	0	0	113	D81 D83 F87 R284	D81-D85 PolarHBondContact OD1-N 3.45Å; D83-D85 VanDerWaalsContact C-N 3.28Å; D83-D85 WeakPolarHBondContact OD1-CB 3.28Å; D83-D85 VanDerWaalsContact OD1-CG 3.23Å; D83-D85 PolarHBondContact OD1-N 3.19Å; D85-F87 WeakPolarHBondContact O-CD2 3.16Å; D85-F87 WeakPolarHBondContact OD1-CA 2.9Å; D85-F87 WeakPolarHBondContact OD1-CB 3.09Å; D85-F87 PolarHBondContact OD1-N 3.15Å; D85-R284 IonicContact OD2-NH1 3.4Å; D85-R284 PolarHBondContact OD2-NH1 2.74Å
86	G	90.9	Very high	89	Confident	43 Å²	43	54 Å²	54	44%	0.443	26%	0.261	S	S	.	.	S	Bend	trans	88.6	4	179.6	0	0	0	0	0	113.8	D81	D81-G86 VanDerWaalsContact OD2-CA 3.32Å; D81-G86 WeakPolarHBondContact OD2-CA 3.3Å; D81-G86 PolarHBondContact OD2-N 2.87Å
87	F	93.1	Very high	89.1	Confident	72 Å²	72	54 Å²	54	32%	0.316	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.2	176.2	-58	-91.1	0	0	0	110.1	D85 R284 L285 T286	D85-F87 WeakPolarHBondContact O-CD2 3.16Å; D85-F87 WeakPolarHBondContact OD1-CA 2.9Å; D85-F87 WeakPolarHBondContact OD1-CB 3.09Å; D85-F87 PolarHBondContact OD1-N 3.15Å; F87-R284 HydrophobicContact CB-CB 4.1Å; F87-R284 HydrophobicContact CD1-CB 4.36Å; F87-L285 CarbonylContact C-O 3.52Å; F87-L285 WeakPolarHBondContact CA-O 3.37Å; F87-T286 HydrophobicContact CD1-CG2 3.9Å; F87-T286 HydrophobicContact CE1-CG2 3.71Å
88	V	90.9	Very high	89	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.4	172.6	173.5	0	0	0	0	108.5	V77 I80 D81 M93 R284 L285 I290	V77-V88 HydrophobicContact CG1-CG2 3.94Å; I80-V88 HydrophobicContact CB-CG1 4.43Å; I80-V88 HydrophobicContact CB-CG2 4.21Å; I80-V88 HydrophobicContact CG2-CB 4.41Å; I80-V88 HydrophobicContact CG2-CG1 3.44Å; I80-V88 VanDerWaalsContact CG2-CG1 3.44Å; I80-V88 HydrophobicContact CG2-CG2 4.07Å; D81-V88 HydrophobicContact CB-CG2 4.27Å; V88-M93 HydrophobicContact CG1-CB 4.22Å; V88-M93 HydrophobicContact CG1-CE 3.64Å; V88-R284 WeakPolarHBondContact O-CA 3.46Å; V88-L285 HydrophobicContact CB-CB 4.4Å; V88-L285 PolarHBondContact N-O 3.18Å; V88-L285 PolarHBondContact O-N 2.84Å; V88-I290 HydrophobicContact CB-CD1 4.02Å; V88-I290 HydrophobicContact CG1-CD1 4.47Å; V88-I290 HydrophobicContact CG2-CD1 3.88Å
89	T	93.4	Very high	89.1	Confident	34 Å²	34	56.8 Å²	56.8	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	160.7	175.4	63.5	0	0	0	0	111.9	E91 E92 M93 R284	T89-E91 PolarHBondContact O-N 2.91Å; T89-E92 WeakPolarHBondContact CB-OE2 3.24Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.41Å; T89-E92 PolarHBondContact N-OE2 3.41Å; T89-E92 PolarHBondContact O-N 3.46Å; T89-E92 VanDerWaalsContact O-N 3.14Å; T89-E92 WeakPolarHBondContact OG1-CG 3.4Å; T89-E92 PolarHBondContact OG1-N 3.24Å; T89-E92 PolarHBondContact OG1-OE2 3.29Å; T89-M93 PolarHBondContact O-N 2.88Å; T89-R284 HydrophobicContact CG2-CG 4.2Å
90	V	91.1	Very high	89	Confident	30 Å²	30	52.9 Å²	52.9	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-52	-40.1	171.8	175.3	0	0	0	0	111.4	M93 K94 A270 K271 V274	V90-M93 PolarHBondContact O-N 3.04Å; V90-K94 VanDerWaalsContact O-CB 3.22Å; V90-K94 WeakPolarHBondContact O-CB 3.48Å; V90-K94 PolarHBondContact O-N 3.17Å; V90-A270 HydrophobicContact CG1-CB 4.1Å; V90-K271 HydrophobicContact CG1-CG 3.67Å; V90-V274 HydrophobicContact CG2-CB 3.88Å; V90-V274 HydrophobicContact CG2-CG1 3.94Å; V90-V274 HydrophobicContact CG2-CG2 3.76Å
91	E	92.3	Very high	88.6	Confident	98 Å²	98	56.1 Å²	56.1	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-68.7	-37.5	-178.3	-71.1	-61.1	134.3	0	0	112.7	T89 R95	T89-E91 PolarHBondContact O-N 2.91Å; E91-R95 WeakPolarHBondContact O-CG 3.45Å; E91-R95 PolarHBondContact O-N 3.24Å; E91-R95 VanDerWaalsContact O-N 3.1Å; E91-R95 PolarHBondContact O-NH1 3.09Å; E91-R95 VanDerWaalsContact O-NH1 3.09Å
92	E	92.1	Very high	88.3	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-45.4	174.3	-75.8	164.6	139.8	0	0	111.5	I80 E82 T89 K94 R95 W96	I80-E92 HydrophobicContact CG2-CB 4.35Å; E82-E92 PolarHBondContact N-OE1 3.02Å; T89-E92 WeakPolarHBondContact CB-OE2 3.24Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.41Å; T89-E92 PolarHBondContact N-OE2 3.41Å; T89-E92 PolarHBondContact O-N 3.46Å; T89-E92 VanDerWaalsContact O-N 3.14Å; T89-E92 WeakPolarHBondContact OG1-CG 3.4Å; T89-E92 PolarHBondContact OG1-N 3.24Å; T89-E92 PolarHBondContact OG1-OE2 3.29Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 PolarHBondContact O-N 2.79Å; E92-R95 VanDerWaalsContact CG-NH2 3.29Å; E92-R95 PolarHBondContact O-N 3Å; E92-W96 WeakPolarHBondContact O-CB 3.45Å; E92-W96 PolarHBondContact O-N 3.31Å
93	M	89.8	Confident	88	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.9	-171.3	66.3	73.2	0	0	111.3	I80 V88 T89 V90 R95 W96 I97 A270 L273 L285 I290 F297 A302	I80-M93 HydrophobicContact CD1-CE 4.41Å; I80-M93 HydrophobicContact CD1-SD 4.2Å; I80-M93 HydrophobicContact CG2-SD 4.36Å; V88-M93 HydrophobicContact CG1-CB 4.22Å; V88-M93 HydrophobicContact CG1-CE 3.64Å; T89-M93 PolarHBondContact O-N 2.88Å; V90-M93 PolarHBondContact O-N 3.04Å; M93-R95 PolarHBondContact O-N 3.42Å; M93-W96 WeakPolarHBondContact O-CB 3.44Å; M93-W96 PolarHBondContact O-N 2.86Å; M93-I97 HydrophobicContact CG-CD1 4.02Å; M93-I97 WeakPolarHBondContact O-CG1 3.4Å; M93-I97 PolarHBondContact O-N 3.07Å; M93-A270 HydrophobicContact CB-CB 3.93Å; M93-A270 HydrophobicContact CG-CB 3.89Å; M93-L273 HydrophobicContact CG-CD1 4.24Å; M93-L273 HydrophobicContact SD-CD1 4.21Å; M93-L285 HydrophobicContact CE-CD1 4.31Å; M93-I290 HydrophobicContact CE-CD1 4.43Å; M93-F297 HydrophobicContact CE-CE1 3.44Å; M93-F297 VanDerWaalsContact CE-CE1 3.44Å; M93-F297 HydrophobicContact CE-CZ 3.95Å; M93-F297 HydrophobicContact SD-CE1 4.14Å; M93-A302 HydrophobicContact SD-CB 4.03Å
94	K	88.1	Confident	87.5	Confident	28 Å²	28	57.8 Å²	57.8	12%	0.122	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-46.6	175.9	175.4	-176.5	178.7	170.1	0	111.9	V90 E92 W96 I97 K98 D264 A266 E267 A270	V90-K94 VanDerWaalsContact O-CB 3.22Å; V90-K94 WeakPolarHBondContact O-CB 3.48Å; V90-K94 PolarHBondContact O-N 3.17Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 PolarHBondContact O-N 2.79Å; K94-W96 VanDerWaalsContact C-N 3.31Å; K94-I97 PolarHBondContact O-N 3.33Å; K94-K98 WeakPolarHBondContact O-CG 3.4Å; K94-K98 PolarHBondContact O-N 3.1Å; K94-K98 VanDerWaalsContact O-N 3.15Å; K94-D264 WeakPolarHBondContact CE-OD2 3.43Å; K94-D264 IonicContact NZ-OD2 2.71Å; K94-D264 PolarHBondContact NZ-OD2 2.86Å; K94-A266 HydrophobicContact CG-CB 4.29Å; K94-E267 HydrophobicContact CD-CB 3.79Å; K94-E267 HydrophobicContact CD-CG 4.07Å; K94-E267 HydrophobicContact CG-CB 4.4Å; K94-E267 IonicContact NZ-OE2 3.04Å; K94-E267 PolarHBondContact NZ-OE2 2.73Å; K94-A270 HydrophobicContact CB-CB 3.86Å
95	R	87.6	Confident	87	Confident	104 Å²	104	50 Å²	50	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-40.1	177.8	-77.5	-167.9	-62	-79.4	6.5	111.4	E82 E91 E92 M93 K98 H99	E82-R95 IonicContact OE1-NE 2.81Å; E82-R95 PolarHBondContact OE1-NE 2.82Å; E82-R95 IonicContact OE2-CZ 2.76Å; E82-R95 VanDerWaalsContact OE2-CZ 3.22Å; E82-R95 IonicContact OE2-NE 2.79Å; E82-R95 PolarHBondContact OE2-NE 3.5Å; E82-R95 IonicContact OE2-NH2 3.22Å; E82-R95 PolarHBondContact OE2-NH2 2.85Å; E91-R95 WeakPolarHBondContact O-CG 3.45Å; E91-R95 PolarHBondContact O-N 3.24Å; E91-R95 VanDerWaalsContact O-N 3.1Å; E91-R95 PolarHBondContact O-NH1 3.09Å; E91-R95 VanDerWaalsContact O-NH1 3.09Å; E92-R95 VanDerWaalsContact CG-NH2 3.29Å; E92-R95 PolarHBondContact O-N 3Å; M93-R95 PolarHBondContact O-N 3.42Å; R95-K98 PolarHBondContact O-N 3.31Å; R95-H99 WeakPolarHBondContact O-CB 3.48Å; R95-H99 PolarHBondContact O-N 3.34Å
96	W	88.9	Confident	86.6	Confident	28 Å²	28	51 Å²	51	11%	0.106	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-49	175.8	177	-100.4	0	0	0	112.3	L76 R79 I80 E92 M93 K94 K98 H99 A100 A302	L76-W96 HydrophobicContact CD1-CH2 3.89Å; L76-W96 HydrophobicContact CD1-CZ2 3.26Å; L76-W96 HydrophobicContact CG-CZ2 4.17Å; R79-W96 HydrophobicContact CB-CE3 4.39Å; R79-W96 HydrophobicContact CB-CH2 4.14Å; R79-W96 HydrophobicContact CB-CZ3 3.76Å; I80-W96 HydrophobicContact CB-CB 4.44Å; I80-W96 HydrophobicContact CB-CG 4.42Å; I80-W96 HydrophobicContact CD1-CG 4.28Å; I80-W96 HydrophobicContact CG1-CB 4.06Å; I80-W96 HydrophobicContact CG1-CD2 3.74Å; I80-W96 HydrophobicContact CG1-CE3 4.31Å; I80-W96 HydrophobicContact CG1-CG 3.56Å; I80-W96 HydrophobicContact CG2-CB 3.99Å; I80-W96 HydrophobicContact CG2-CG 4.4Å; E92-W96 WeakPolarHBondContact O-CB 3.45Å; E92-W96 PolarHBondContact O-N 3.31Å; M93-W96 WeakPolarHBondContact O-CB 3.44Å; M93-W96 PolarHBondContact O-N 2.86Å; K94-W96 VanDerWaalsContact C-N 3.31Å; W96-K98 VanDerWaalsContact C-N 3.32Å; W96-K98 PolarHBondContact O-N 3.4Å; W96-H99 CarbonylContact O-C 3.51Å; W96-H99 WeakPolarHBondContact O-CA 3.43Å; W96-H99 WeakPolarHBondContact O-CB 3.44Å; W96-H99 PolarHBondContact O-N 2.84Å; W96-A100 WeakPolarHBondContact O-CB 3.42Å; W96-A100 PolarHBondContact O-N 3.03Å; W96-A302 PolarHBondContact NE1-O 3.44Å
97	I	82.5	Confident	86.2	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-55.7	-47.7	177.7	-69.4	163	0	0	0	110.5	M93 K94 H99 A100 Q101 A266 E269 A270 L273 Q301 A302	M93-I97 HydrophobicContact CG-CD1 4.02Å; M93-I97 WeakPolarHBondContact O-CG1 3.4Å; M93-I97 PolarHBondContact O-N 3.07Å; K94-I97 PolarHBondContact O-N 3.33Å; I97-H99 VanDerWaalsContact C-N 3.29Å; I97-H99 PolarHBondContact O-N 2.84Å; I97-A100 PolarHBondContact O-N 2.96Å; I97-Q101 WeakPolarHBondContact O-CB 3.48Å; I97-Q101 PolarHBondContact O-N 3.09Å; I97-A266 HydrophobicContact CB-CB 4.25Å; I97-A266 HydrophobicContact CG2-CB 3.81Å; I97-E269 HydrophobicContact CD1-CB 4.08Å; I97-E269 HydrophobicContact CD1-CG 3.79Å; I97-A270 HydrophobicContact CD1-CB 4.08Å; I97-L273 HydrophobicContact CD1-CD1 4.19Å; I97-Q301 HydrophobicContact CG2-CB 3.88Å; I97-A302 HydrophobicContact CG1-CB 3.97Å
98	K	83.6	Confident	85.8	Confident	87 Å²	87	49.5 Å²	49.5	38%	0.378	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-36.4	176	-68.2	-168.9	-177.6	-164.7	0	112.9	K94 R95 W96 K102 D264 A266	K94-K98 WeakPolarHBondContact O-CG 3.4Å; K94-K98 PolarHBondContact O-N 3.1Å; K94-K98 VanDerWaalsContact O-N 3.15Å; R95-K98 PolarHBondContact O-N 3.31Å; W96-K98 VanDerWaalsContact C-N 3.32Å; W96-K98 PolarHBondContact O-N 3.4Å; K98-K102 VanDerWaalsContact O-CB 3.27Å; K98-K102 WeakPolarHBondContact O-CB 3.37Å; K98-K102 PolarHBondContact O-N 2.9Å; K98-K102 VanDerWaalsContact O-N 3.12Å; K98-D264 WeakPolarHBondContact CE-OD1 3.44Å; K98-D264 VanDerWaalsContact NZ-CG 3.25Å; K98-D264 IonicContact NZ-OD1 3.88Å; K98-D264 PolarHBondContact NZ-OD1 2.9Å; K98-D264 IonicContact NZ-OD2 2.7Å; K98-D264 PolarHBondContact NZ-OD2 3.26Å; K98-A266 HydrophobicContact CD-CB 4.29Å; K98-A266 HydrophobicContact CG-CB 3.58Å
99	H	83.6	Confident	85.6	Confident	105 Å²	105	49.5 Å²	49.5	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-67.9	-45.3	177.2	-178.8	69.5	0	0	0	111.8	R95 W96 I97 K102 R103	R95-H99 WeakPolarHBondContact O-CB 3.48Å; R95-H99 PolarHBondContact O-N 3.34Å; W96-H99 CarbonylContact O-C 3.51Å; W96-H99 WeakPolarHBondContact O-CA 3.43Å; W96-H99 WeakPolarHBondContact O-CB 3.44Å; W96-H99 PolarHBondContact O-N 2.84Å; I97-H99 VanDerWaalsContact C-N 3.29Å; I97-H99 PolarHBondContact O-N 2.84Å; H99-K102 PolarHBondContact O-N 3.22Å; H99-R103 WeakPolarHBondContact O-CB 3.49Å; H99-R103 PolarHBondContact O-N 3.31Å
100	A	81.3	Confident	85.4	Confident	13 Å²	13	50.4 Å²	50.4	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-51	177.7	0	0	0	0	0	111	W96 I97 K102 R103 W104	W96-A100 WeakPolarHBondContact O-CB 3.42Å; W96-A100 PolarHBondContact O-N 3.03Å; I97-A100 PolarHBondContact O-N 2.96Å; A100-K102 PolarHBondContact O-N 2.99Å; A100-R103 WeakPolarHBondContact O-CB 3.41Å; A100-R103 PolarHBondContact O-N 3.09Å; A100-R103 VanDerWaalsContact O-N 3.11Å; A100-W104 PolarHBondContact O-N 2.96Å
101	Q	78.5	Confident	85.2	Confident	70 Å²	70	54.5 Å²	54.5	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-55.5	-49.3	177.2	-169	-165.1	1.5	0	0	111.5	I97 R103 W104 I105 E184	I97-Q101 WeakPolarHBondContact O-CB 3.48Å; I97-Q101 PolarHBondContact O-N 3.09Å; Q101-R103 VanDerWaalsContact C-N 3.29Å; Q101-R103 PolarHBondContact O-N 3Å; Q101-W104 PolarHBondContact O-N 2.82Å; Q101-I105 HydrophobicContact CG-CD1 4.05Å; Q101-I105 WeakPolarHBondContact O-CD1 3.47Å; Q101-I105 WeakPolarHBondContact O-CG1 3.42Å; Q101-I105 PolarHBondContact O-N 3.17Å; Q101-E184 PolarHBondContact NE2-OE1 3.33Å
102	K	83.1	Confident	84.9	Confident	115 Å²	115	52.9 Å²	52.9	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-37.5	178.9	-178.1	164.8	-177.3	162.1	0	112.5	K98 H99 A100 Y106	K98-K102 VanDerWaalsContact O-CB 3.27Å; K98-K102 WeakPolarHBondContact O-CB 3.37Å; K98-K102 PolarHBondContact O-N 2.9Å; K98-K102 VanDerWaalsContact O-N 3.12Å; H99-K102 PolarHBondContact O-N 3.22Å; A100-K102 PolarHBondContact O-N 2.99Å; K102-Y106 HydrophobicContact CD-CE2 4.1Å; K102-Y106 HydrophobicContact CG-CD2 3.89Å; K102-Y106 HydrophobicContact CG-CE2 3.55Å; K102-Y106 WeakPolarHBondContact O-CD2 3.34Å; K102-Y106 PolarHBondContact O-N 2.85Å; K102-Y106 VanDerWaalsContact O-N 3.13Å
103	R	81	Confident	84.7	Confident	75 Å²	75	54.2 Å²	54.2	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-66.5	-45.7	176.4	-177.5	178.2	178.2	167.3	-2.8	111	H99 A100 Q101 I105 Y106 D107	H99-R103 WeakPolarHBondContact O-CB 3.49Å; H99-R103 PolarHBondContact O-N 3.31Å; A100-R103 WeakPolarHBondContact O-CB 3.41Å; A100-R103 PolarHBondContact O-N 3.09Å; A100-R103 VanDerWaalsContact O-N 3.11Å; Q101-R103 VanDerWaalsContact C-N 3.29Å; Q101-R103 PolarHBondContact O-N 3Å; R103-I105 PolarHBondContact O-N 2.98Å; R103-Y106 PolarHBondContact O-N 2.82Å; R103-D107 PolarHBondContact O-N 3.3Å
104	W	81.3	Confident	84.6	Confident	74 Å²	74	62 Å²	62	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-47.2	176.1	173.7	90.6	0	0	0	111.7	A100 Q101 Y106 D107 D108 H181	A100-W104 PolarHBondContact O-N 2.96Å; Q101-W104 PolarHBondContact O-N 2.82Å; W104-Y106 VanDerWaalsContact C-N 3.32Å; W104-Y106 PolarHBondContact O-N 3.44Å; W104-D107 PolarHBondContact O-N 3.33Å; W104-D107 VanDerWaalsContact O-N 3.11Å; W104-D108 PolarHBondContact O-N 3.48Å; W104-H181 AromaticContact CH2-CE1 3.69Å; W104-H181 AromaticContact CZ3-CE1 3.39Å; W104-H181 WeakPolarHBondContact CZ3-CE1 3.28Å; W104-H181 AromaticContact CZ3-ND1 3.86Å
105	I	81.5	Confident	84.5	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-52.5	-50.2	174.3	-74.2	155.3	0	0	0	110.9	Q101 R103 D107 D108 V109 T177 H181 E184	Q101-I105 HydrophobicContact CG-CD1 4.05Å; Q101-I105 WeakPolarHBondContact O-CD1 3.47Å; Q101-I105 WeakPolarHBondContact O-CG1 3.42Å; Q101-I105 PolarHBondContact O-N 3.17Å; R103-I105 PolarHBondContact O-N 2.98Å; I105-D107 PolarHBondContact O-N 3.25Å; I105-D108 PolarHBondContact O-N 2.95Å; I105-V109 HydrophobicContact CG2-CG2 4.48Å; I105-V109 WeakPolarHBondContact O-CB 3.47Å; I105-V109 WeakPolarHBondContact O-CG2 3.42Å; I105-V109 PolarHBondContact O-N 2.97Å; I105-T177 HydrophobicContact CG2-CG2 3.52Å; I105-H181 HydrophobicContact CG2-CB 4.34Å; I105-E184 HydrophobicContact CD1-CG 3.53Å
106	Y	84.3	Confident	84.5	Confident	85 Å²	85	59 Å²	59	33%	0.333	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-37.2	179.5	-78	-59.6	0	0	0	113.3	K102 R103 W104 V109 D110	K102-Y106 HydrophobicContact CD-CE2 4.1Å; K102-Y106 HydrophobicContact CG-CD2 3.89Å; K102-Y106 HydrophobicContact CG-CE2 3.55Å; K102-Y106 WeakPolarHBondContact O-CD2 3.34Å; K102-Y106 PolarHBondContact O-N 2.85Å; K102-Y106 VanDerWaalsContact O-N 3.13Å; R103-Y106 PolarHBondContact O-N 2.82Å; W104-Y106 VanDerWaalsContact C-N 3.32Å; W104-Y106 PolarHBondContact O-N 3.44Å; Y106-V109 PolarHBondContact O-N 3.3Å; Y106-D110 WeakPolarHBondContact O-CB 3.24Å; Y106-D110 PolarHBondContact O-N 2.96Å
107	D	82.9	Confident	84.6	Confident	55 Å²	55	59.1 Å²	59.1	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-39.8	177.6	-75.2	-20.1	0	0	0	110.9	R103 W104 I105 D110 R111 R311	R103-D107 PolarHBondContact O-N 3.3Å; W104-D107 PolarHBondContact O-N 3.33Å; W104-D107 VanDerWaalsContact O-N 3.11Å; I105-D107 PolarHBondContact O-N 3.25Å; D107-D110 PolarHBondContact O-N 3.28Å; D107-R111 WeakPolarHBondContact O-CG 3.45Å; D107-R111 PolarHBondContact O-N 3.47Å; D107-R311 IonicContact OD2-NH1 3.91Å
108	D	83.1	Confident	84.8	Confident	28 Å²	28	64.6 Å²	64.6	15%	0.15	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-49.5	173	-169.9	59.8	0	0	0	112	W104 I105 D110 R111 Q112 H181	W104-D108 PolarHBondContact O-N 3.48Å; I105-D108 PolarHBondContact O-N 2.95Å; D108-D110 VanDerWaalsContact C-N 3.25Å; D108-D110 PolarHBondContact O-N 3.5Å; D108-R111 WeakPolarHBondContact O-CB 3.32Å; D108-R111 PolarHBondContact O-N 2.79Å; D108-R111 IonicContact OD1-CZ 3.19Å; D108-R111 IonicContact OD1-NE 3.32Å; D108-R111 IonicContact OD1-NH2 3.35Å; D108-R111 PolarHBondContact OD1-NH2 2.72Å; D108-Q112 WeakPolarHBondContact O-CG 3.35Å; D108-Q112 PolarHBondContact O-N 3.33Å; D108-H181 IonicContact OD2-NE2 2.69Å
109	V	88.3	Confident	85.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-54.3	-43.6	173.6	169.6	0	0	0	0	110.8	I105 Y106 R111 Q112 W113 K173 F176 T177 L180	I105-V109 HydrophobicContact CG2-CG2 4.48Å; I105-V109 WeakPolarHBondContact O-CB 3.47Å; I105-V109 WeakPolarHBondContact O-CG2 3.42Å; I105-V109 PolarHBondContact O-N 2.97Å; Y106-V109 PolarHBondContact O-N 3.3Å; V109-R111 VanDerWaalsContact C-N 3.34Å; V109-R111 PolarHBondContact O-N 3.03Å; V109-Q112 PolarHBondContact O-N 3.13Å; V109-W113 WeakPolarHBondContact O-CA 3.39Å; V109-W113 WeakPolarHBondContact O-CB 3.37Å; V109-W113 PolarHBondContact O-N 3.09Å; V109-K173 HydrophobicContact CG1-CG 4.14Å; V109-F176 HydrophobicContact CG1-CD1 4.23Å; V109-T177 HydrophobicContact CG2-CG2 3.85Å; V109-L180 HydrophobicContact CG2-CD1 4.11Å
110	D	88	Confident	85.3	Confident	53 Å²	53	62.7 Å²	62.7	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-67.9	-30.5	179.4	-95.4	-42.5	0	0	0	113.7	Y106 D107 D108 K114 K173	Y106-D110 WeakPolarHBondContact O-CB 3.24Å; Y106-D110 PolarHBondContact O-N 2.96Å; D107-D110 PolarHBondContact O-N 3.28Å; D108-D110 VanDerWaalsContact C-N 3.25Å; D108-D110 PolarHBondContact O-N 3.5Å; D110-K114 WeakPolarHBondContact O-CD 3.44Å; D110-K114 WeakPolarHBondContact O-CG 3.45Å; D110-K173 VanDerWaalsContact OD1-CE 3.29Å; D110-K173 WeakPolarHBondContact OD1-CE 3.47Å; D110-K173 IonicContact OD1-NZ 3.45Å; D110-K173 PolarHBondContact OD1-NZ 3.25Å; D110-K173 IonicContact OD2-NZ 2.95Å; D110-K173 PolarHBondContact OD2-NZ 2.94Å
111	R	87.1	Confident	85.8	Confident	115 Å²	115	65.2 Å²	65.2	43%	0.434	32%	0.321	S	S	.	.	H	α-helix	trans	-69.3	-50.2	171.7	-70.8	-176.7	-56	-111	9.3	110.5	D107 D108 V109 K114	D107-R111 WeakPolarHBondContact O-CG 3.45Å; D107-R111 PolarHBondContact O-N 3.47Å; D108-R111 WeakPolarHBondContact O-CB 3.32Å; D108-R111 PolarHBondContact O-N 2.79Å; D108-R111 IonicContact OD1-CZ 3.19Å; D108-R111 IonicContact OD1-NE 3.32Å; D108-R111 IonicContact OD1-NH2 3.35Å; D108-R111 PolarHBondContact OD1-NH2 2.72Å; V109-R111 VanDerWaalsContact C-N 3.34Å; V109-R111 PolarHBondContact O-N 3.03Å; R111-K114 PolarHBondContact O-N 3.46Å
112	Q	86.4	Confident	86.4	Confident	65 Å²	65	64 Å²	64	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-38	-179.6	-65	-63.7	-18.8	0	0	111.7	D108 V109 K114 S115 H116 F176 L180	D108-Q112 WeakPolarHBondContact O-CG 3.35Å; D108-Q112 PolarHBondContact O-N 3.33Å; V109-Q112 PolarHBondContact O-N 3.13Å; Q112-K114 VanDerWaalsContact C-N 3.29Å; Q112-K114 PolarHBondContact O-N 3.02Å; Q112-S115 PolarHBondContact O-N 3.08Å; Q112-S115 PolarHBondContact O-OG 3.35Å; Q112-H116 PolarHBondContact O-N 3.12Å; Q112-H116 PolarHBondContact O-ND1 3.35Å; Q112-H116 PolarHBondContact OE1-CE1 3.29Å; Q112-H116 VanDerWaalsContact OE1-CE1 3.25Å; Q112-F176 HydrophobicContact CB-CE1 3.87Å; Q112-F176 HydrophobicContact CB-CZ 4.29Å; Q112-L180 HydrophobicContact CB-CD1 3.77Å; Q112-L180 HydrophobicContact CG-CD1 3.89Å
113	W	88.6	Confident	86.9	Confident	30 Å²	30	61.6 Å²	61.6	11%	0.114	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-44.1	-179.6	-171.3	-81.1	0	0	0	111.8	V109 S115 H116 D117 G122 V124 A171 N172 K173 F176	V109-W113 WeakPolarHBondContact O-CA 3.39Å; V109-W113 WeakPolarHBondContact O-CB 3.37Å; V109-W113 PolarHBondContact O-N 3.09Å; W113-S115 VanDerWaalsContact C-N 3.3Å; W113-S115 PolarHBondContact O-N 2.81Å; W113-H116 PolarHBondContact O-N 3Å; W113-D117 PolarHBondContact O-N 2.93Å; W113-G122 WeakPolarHBondContact CZ2-O 3.28Å; W113-V124 HydrophobicContact CD2-CG2 4.09Å; W113-V124 HydrophobicContact CE3-CG2 3.93Å; W113-V124 HydrophobicContact CH2-CG2 4.16Å; W113-V124 HydrophobicContact CZ2-CG2 4.33Å; W113-V124 HydrophobicContact CZ3-CG2 3.93Å; W113-A171 WeakPolarHBondContact CH2-O 3.22Å; W113-N172 VanDerWaalsContact CH2-C 3.47Å; W113-N172 WeakPolarHBondContact CZ3-O 3.38Å; W113-K173 HydrophobicContact CE3-CB 4.42Å; W113-K173 HydrophobicContact CE3-CG 4.19Å; W113-K173 HydrophobicContact CH2-CB 4.2Å; W113-K173 HydrophobicContact CZ3-CB 4.06Å; W113-K173 HydrophobicContact CZ3-CG 4.31Å; W113-F176 HydrophobicContact CE3-CB 3.95Å; W113-F176 AromaticContact CE3-CD1 3.58Å; W113-F176 HydrophobicContact CE3-CD1 3.58Å; W113-F176 HydrophobicContact CE3-CE1 4.32Å; W113-F176 AromaticContact CE3-CG 3.96Å; W113-F176 HydrophobicContact CE3-CG 3.96Å; W113-F176 HydrophobicContact CZ3-CB 3.52Å; W113-F176 HydrophobicContact CZ3-CD1 4.06Å; W113-F176 AromaticContact CZ3-CG 3.94Å; W113-F176 HydrophobicContact CZ3-CG 3.94Å
114	K	86.8	Confident	87.5	Confident	163 Å²	163	58 Å²	58	71%	0.709	31%	0.305	S	S	*	.	H	α-helix	trans	-66.9	-28.1	-178.2	-70.6	169.3	-173	158.7	0	113.6	D110 R111 Q112	D110-K114 WeakPolarHBondContact O-CD 3.44Å; D110-K114 WeakPolarHBondContact O-CG 3.45Å; R111-K114 PolarHBondContact O-N 3.46Å; Q112-K114 VanDerWaalsContact C-N 3.29Å; Q112-K114 PolarHBondContact O-N 3.02Å
115	S	86	Confident	88.2	Confident	58 Å²	58	55.5 Å²	55.5	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-84	-18.6	177.1	50.1	0	0	0	0	112.9	Q112 W113 L118	Q112-S115 PolarHBondContact O-N 3.08Å; Q112-S115 PolarHBondContact O-OG 3.35Å; W113-S115 VanDerWaalsContact C-N 3.3Å; W113-S115 PolarHBondContact O-N 2.81Å; S115-L118 WeakPolarHBondContact O-CD2 3.34Å
116	H	88.3	Confident	88.8	Confident	11 Å²	11	56.2 Å²	56.2	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-109.1	-26.1	-172.6	-66.5	92.4	0	0	0	114.5	Q112 W113 L118 V124 E128 Y129 A132 T133 F176	Q112-H116 PolarHBondContact O-N 3.12Å; Q112-H116 PolarHBondContact O-ND1 3.35Å; Q112-H116 PolarHBondContact OE1-CE1 3.29Å; Q112-H116 VanDerWaalsContact OE1-CE1 3.25Å; W113-H116 PolarHBondContact O-N 3Å; H116-L118 PolarHBondContact O-N 3.48Å; H116-V124 HydrophobicContact CB-CG1 3.84Å; H116-V124 HydrophobicContact CB-CG2 4.07Å; H116-E128 WeakPolarHBondContact O-CB 3.5Å; H116-Y129 AromaticContact CD2-CD2 3.65Å; H116-Y129 AromaticContact NE2-CD2 3.84Å; H116-Y129 AromaticContact NE2-CE2 3.96Å; H116-A132 VanDerWaalsContact CD2-CB 3.47Å; H116-A132 WeakPolarHBondContact CD2-CB 3.33Å; H116-T133 PolarHBondContact NE2-OG1 3.48Å; H116-F176 HydrophobicContact CB-CZ 4.44Å
117	D	90.4	Very high	89.2	Confident	31 Å²	31	56.5 Å²	56.5	17%	0.166	31%	0.305	C	S	.	.			trans	-77.4	73.8	169.8	-177.8	6.6	0	0	0	110.4	W113 N119 G120 D121 G122 V124	W113-D117 PolarHBondContact O-N 2.93Å; D117-N119 VanDerWaalsContact C-N 3.34Å; D117-G120 WeakPolarHBondContact OD1-CA 3.39Å; D117-G120 PolarHBondContact OD1-N 2.84Å; D117-D121 PolarHBondContact OD1-N 2.97Å; D117-G122 WeakPolarHBondContact OD2-CA 3.34Å; D117-G122 PolarHBondContact OD2-N 3.23Å; D117-G122 VanDerWaalsContact OD2-N 3.11Å; D117-V124 HydrophobicContact CB-CG2 4.44Å
118	L	86.6	Confident	89.7	Confident	116 Å²	116	54.6 Å²	54.6	61%	0.607	30%	0.295	S	S	*	.			trans	-72.1	-30.4	-174.2	-63.1	179.5	0	0	0	112.4	S115 H116 E128	S115-L118 WeakPolarHBondContact O-CD2 3.34Å; H116-L118 PolarHBondContact O-N 3.48Å; L118-E128 HydrophobicContact CB-CG 4.38Å; L118-E128 PolarHBondContact N-OE1 3.36Å
119	N	89.7	Confident	90.1	Very high	93 Å²	93	54.5 Å²	54.5	50%	0.497	29%	0.292	S	S	.	.	S	Bend	trans	-91.5	-16.2	-176.7	86.1	58	0	0	0	113	D117 D121 E128	D117-N119 VanDerWaalsContact C-N 3.34Å; N119-D121 PolarHBondContact ND2-OD1 3.09Å; N119-D121 PolarHBondContact ND2-OD2 3.17Å; N119-D121 WeakPolarHBondContact OD1-CA 3.43Å; N119-D121 WeakPolarHBondContact OD1-CB 3.42Å; N119-D121 PolarHBondContact OD1-N 3.33Å; N119-D121 PolarHBondContact OD1-OD1 2.86Å; N119-E128 WeakPolarHBondContact CB-OE1 3.44Å; N119-E128 VanDerWaalsContact CG-OE1 3.24Å; N119-E128 PolarHBondContact N-OE1 2.95Å; N119-E128 VanDerWaalsContact N-OE1 3.12Å; N119-E128 PolarHBondContact ND2-OE1 2.76Å; N119-E128 PolarHBondContact ND2-OE2 2.73Å
120	G	89.1	Confident	90.2	Very high	60 Å²	60	56.5 Å²	56.5	62%	0.619	30%	0.301	S	S	*	.			trans	75.2	25.2	177.1	0	0	0	0	0	114	D117	D117-G120 WeakPolarHBondContact OD1-CA 3.39Å; D117-G120 PolarHBondContact OD1-N 2.84Å
121	D	90.7	Very high	90.2	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.353	31%	0.309	S	S	.	.	S	Bend	trans	-82.9	-1.3	177	68.6	-2.7	0	0	0	112.9	D117 N119 M123 K170	D117-D121 PolarHBondContact OD1-N 2.97Å; N119-D121 PolarHBondContact ND2-OD1 3.09Å; N119-D121 PolarHBondContact ND2-OD2 3.17Å; N119-D121 WeakPolarHBondContact OD1-CA 3.43Å; N119-D121 WeakPolarHBondContact OD1-CB 3.42Å; N119-D121 PolarHBondContact OD1-N 3.33Å; N119-D121 PolarHBondContact OD1-OD1 2.86Å; D121-M123 VanDerWaalsContact C-N 3.29Å; D121-M123 PolarHBondContact OD1-N 2.94Å; D121-M123 VanDerWaalsContact OD1-N 3.14Å; D121-M123 VanDerWaalsContact OD1-O 3.12Å; D121-K170 IonicContact OD2-NZ 3.76Å; D121-K170 PolarHBondContact OD2-NZ 2.95Å
122	G	90.5	Very high	90.2	Very high	44 Å²	44	54 Å²	54	45%	0.454	30%	0.301	S	S	.	.	S	Bend	trans	74.1	24.8	-179.5	0	0	0	0	0	112.3	W113 D117	W113-G122 WeakPolarHBondContact CZ2-O 3.28Å; D117-G122 WeakPolarHBondContact OD2-CA 3.34Å; D117-G122 PolarHBondContact OD2-N 3.23Å; D117-G122 VanDerWaalsContact OD2-N 3.11Å
123	M	93.9	Very high	90.1	Very high	65 Å²	65	53.5 Å²	53.5	32%	0.32	30%	0.303	S	S	.	.	S	Bend	trans	-139	158.6	170.4	-65.8	177	166.6	0	0	109.2	D121 K170	D121-M123 VanDerWaalsContact C-N 3.29Å; D121-M123 PolarHBondContact OD1-N 2.94Å; D121-M123 VanDerWaalsContact OD1-N 3.14Å; D121-M123 VanDerWaalsContact OD1-O 3.12Å; M123-K170 HydrophobicContact CB-CB 4.16Å; M123-K170 HydrophobicContact CB-CD 4.24Å; M123-K170 HydrophobicContact SD-CB 4.25Å; M123-K170 HydrophobicContact SD-CD 3.81Å
124	V	95	Very high	89.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.1	171.3	177.4	0	0	0	0	108.1	W113 H116 D117 F160 K170 A171 F176	W113-V124 HydrophobicContact CD2-CG2 4.09Å; W113-V124 HydrophobicContact CE3-CG2 3.93Å; W113-V124 HydrophobicContact CH2-CG2 4.16Å; W113-V124 HydrophobicContact CZ2-CG2 4.33Å; W113-V124 HydrophobicContact CZ3-CG2 3.93Å; H116-V124 HydrophobicContact CB-CG1 3.84Å; H116-V124 HydrophobicContact CB-CG2 4.07Å; D117-V124 HydrophobicContact CB-CG2 4.44Å; V124-F160 WeakPolarHBondContact O-CZ 3.25Å; V124-K170 WeakPolarHBondContact O-CA 3.45Å; V124-A171 PolarHBondContact N-O 3.32Å; V124-A171 PolarHBondContact O-N 3.2Å; V124-F176 HydrophobicContact CB-CD2 4.15Å; V124-F176 HydrophobicContact CB-CE2 4.27Å; V124-F176 HydrophobicContact CG1-CD2 4.19Å; V124-F176 HydrophobicContact CG1-CE2 3.87Å; V124-F176 HydrophobicContact CG2-CD2 4.41Å; V124-F176 HydrophobicContact CG2-CE2 4.42Å
125	S	95.6	Very high	89.4	Confident	20 Å²	20	46.6 Å²	46.6	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	154.3	173.2	65.7	0	0	0	0	112.1	E127 E128 Y129	S125-E127 PolarHBondContact O-N 3.1Å; S125-E128 WeakPolarHBondContact CB-OE2 3.38Å; S125-E128 PolarHBondContact N-OE2 3.35Å; S125-E128 WeakPolarHBondContact O-CB 3.19Å; S125-E128 PolarHBondContact O-N 2.78Å; S125-E128 VanDerWaalsContact OG-CD 3.32Å; S125-E128 VanDerWaalsContact OG-CG 3.27Å; S125-E128 WeakPolarHBondContact OG-CG 3.27Å; S125-E128 PolarHBondContact OG-N 3.23Å; S125-E128 PolarHBondContact OG-OE2 3.35Å; S125-Y129 PolarHBondContact O-N 2.69Å
126	W	94.5	Very high	88.6	Confident	22 Å²	22	53.4 Å²	53.4	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-54.4	-39.6	173.8	171.4	-114.1	0	0	0	112.4	E128 Y129 K130 M153 D156 E157 F160 T169	W126-E128 VanDerWaalsContact C-N 3.35Å; W126-E128 PolarHBondContact O-N 3.13Å; W126-Y129 HydrophobicContact CE3-CD1 4.13Å; W126-Y129 HydrophobicContact CH2-CD1 4.31Å; W126-Y129 AromaticContact CZ3-CD1 3.62Å; W126-Y129 HydrophobicContact CZ3-CD1 3.62Å; W126-Y129 HydrophobicContact CZ3-CE1 4.16Å; W126-Y129 PolarHBondContact O-N 3.37Å; W126-K130 HydrophobicContact CZ2-CB 4.29Å; W126-K130 HydrophobicContact CZ2-CD 4.39Å; W126-K130 WeakPolarHBondContact O-CB 3.37Å; W126-K130 PolarHBondContact O-N 3.38Å; W126-M153 HydrophobicContact CH2-CG 4.36Å; W126-M153 HydrophobicContact CZ2-CG 3.98Å; W126-D156 HydrophobicContact CH2-CB 3.81Å; W126-D156 HydrophobicContact CZ3-CB 4.01Å; W126-E157 HydrophobicContact CD2-CB 4.5Å; W126-E157 HydrophobicContact CD2-CG 4.17Å; W126-E157 HydrophobicContact CH2-CB 3.61Å; W126-E157 HydrophobicContact CH2-CG 4.3Å; W126-E157 HydrophobicContact CZ2-CB 3.37Å; W126-E157 HydrophobicContact CZ2-CG 3.72Å; W126-E157 HydrophobicContact CZ3-CB 4.24Å; W126-F160 HydrophobicContact CB-CD1 4.15Å; W126-F160 HydrophobicContact CB-CE1 4.03Å; W126-F160 HydrophobicContact CB-CZ 4.41Å; W126-F160 HydrophobicContact CE3-CB 3.78Å; W126-F160 HydrophobicContact CE3-CD1 4.31Å; W126-F160 AromaticContact CE3-CD2 3.96Å; W126-F160 HydrophobicContact CE3-CD2 3.96Å; W126-F160 AromaticContact CE3-CG 3.75Å; W126-F160 HydrophobicContact CE3-CG 3.75Å; W126-F160 HydrophobicContact CZ3-CB 4.05Å; W126-F160 HydrophobicContact CZ3-CG 4.42Å; W126-T169 PolarHBondContact N-O 3.06Å
127	E	91.9	Very high	87.4	Confident	92 Å²	92	54.5 Å²	54.5	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-68.5	-32.6	178.6	-70.7	-62.4	148.8	0	0	112.6	S125 K130 N131	S125-E127 PolarHBondContact O-N 3.1Å; E127-K130 IonicContact OE1-NZ 3.52Å; E127-K130 PolarHBondContact OE1-NZ 3.35Å; E127-K130 IonicContact OE2-NZ 3.75Å; E127-K130 PolarHBondContact OE2-NZ 2.89Å; E127-N131 VanDerWaalsContact O-CB 3.26Å; E127-N131 WeakPolarHBondContact O-CB 3.4Å; E127-N131 PolarHBondContact O-N 3.2Å; E127-N131 PolarHBondContact O-ND2 3.38Å
128	E	92.6	Very high	86	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-46.9	172.8	-76.9	165.6	135.2	0	0	111.5	H116 L118 N119 S125 W126 K130 N131 A132	H116-E128 WeakPolarHBondContact O-CB 3.5Å; L118-E128 HydrophobicContact CB-CG 4.38Å; L118-E128 PolarHBondContact N-OE1 3.36Å; N119-E128 WeakPolarHBondContact CB-OE1 3.44Å; N119-E128 VanDerWaalsContact CG-OE1 3.24Å; N119-E128 PolarHBondContact N-OE1 2.95Å; N119-E128 VanDerWaalsContact N-OE1 3.12Å; N119-E128 PolarHBondContact ND2-OE1 2.76Å; N119-E128 PolarHBondContact ND2-OE2 2.73Å; S125-E128 WeakPolarHBondContact CB-OE2 3.38Å; S125-E128 PolarHBondContact N-OE2 3.35Å; S125-E128 WeakPolarHBondContact O-CB 3.19Å; S125-E128 PolarHBondContact O-N 2.78Å; S125-E128 VanDerWaalsContact OG-CD 3.32Å; S125-E128 VanDerWaalsContact OG-CG 3.27Å; S125-E128 WeakPolarHBondContact OG-CG 3.27Å; S125-E128 PolarHBondContact OG-N 3.23Å; S125-E128 PolarHBondContact OG-OE2 3.35Å; W126-E128 VanDerWaalsContact C-N 3.35Å; W126-E128 PolarHBondContact O-N 3.13Å; E128-K130 PolarHBondContact O-N 3.46Å; E128-N131 PolarHBondContact O-N 3.06Å; E128-A132 WeakPolarHBondContact O-CB 3.37Å; E128-A132 PolarHBondContact O-N 3.41Å
129	Y	92	Very high	84.6	Confident	25 Å²	25	59.5 Å²	59.5	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-56.1	-53.3	175	-176.7	-96.5	0	0	0	111.3	H116 S125 W126 N131 A132 T133 Y134 D156 F176 F179	H116-Y129 AromaticContact CD2-CD2 3.65Å; H116-Y129 AromaticContact NE2-CD2 3.84Å; H116-Y129 AromaticContact NE2-CE2 3.96Å; S125-Y129 PolarHBondContact O-N 2.69Å; W126-Y129 HydrophobicContact CE3-CD1 4.13Å; W126-Y129 HydrophobicContact CH2-CD1 4.31Å; W126-Y129 AromaticContact CZ3-CD1 3.62Å; W126-Y129 HydrophobicContact CZ3-CD1 3.62Å; W126-Y129 HydrophobicContact CZ3-CE1 4.16Å; W126-Y129 PolarHBondContact O-N 3.37Å; Y129-N131 VanDerWaalsContact C-N 3.32Å; Y129-N131 PolarHBondContact O-N 3.5Å; Y129-A132 PolarHBondContact O-N 2.7Å; Y129-T133 HydrophobicContact CE1-CG2 4.48Å; Y129-T133 WeakPolarHBondContact O-CB 3.4Å; Y129-T133 PolarHBondContact O-N 3.03Å; Y129-T133 PolarHBondContact O-OG1 3.49Å; Y129-T133 VanDerWaalsContact O-OG1 3.09Å; Y129-Y134 HydrophobicContact CE1-CE2 4.27Å; Y129-D156 HydrophobicContact CE1-CB 4.25Å; Y129-D156 PolarHBondContact OH-OD2 3.41Å; Y129-F176 HydrophobicContact CD2-CE2 4.08Å; Y129-F176 HydrophobicContact CD2-CZ 4.47Å; Y129-F179 HydrophobicContact CD1-CE1 4.44Å; Y129-F179 HydrophobicContact CD1-CZ 4.24Å; Y129-F179 AromaticContact CD2-CE1 3.98Å; Y129-F179 HydrophobicContact CD2-CE1 3.98Å; Y129-F179 HydrophobicContact CE1-CE1 4.01Å; Y129-F179 AromaticContact CE1-CZ 3.66Å; Y129-F179 HydrophobicContact CE1-CZ 3.66Å; Y129-F179 AromaticContact CE2-CE1 3.5Å; Y129-F179 HydrophobicContact CE2-CE1 3.5Å; Y129-F179 HydrophobicContact CE2-CZ 4.03Å; Y129-F179 HydrophobicContact CG-CE1 4.42Å; Y129-F179 AromaticContact CZ-CE1 3.5Å; Y129-F179 AromaticContact CZ-CZ 3.52Å
130	K	90.1	Very high	83.1	Confident	42 Å²	42	60.9 Å²	60.9	18%	0.183	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-42.4	179.9	175.2	179.5	143.8	-139	0	112.7	W126 E127 E128 Y134 G135 M153	W126-K130 HydrophobicContact CZ2-CB 4.29Å; W126-K130 HydrophobicContact CZ2-CD 4.39Å; W126-K130 WeakPolarHBondContact O-CB 3.37Å; W126-K130 PolarHBondContact O-N 3.38Å; E127-K130 IonicContact OE1-NZ 3.52Å; E127-K130 PolarHBondContact OE1-NZ 3.35Å; E127-K130 IonicContact OE2-NZ 3.75Å; E127-K130 PolarHBondContact OE2-NZ 2.89Å; E128-K130 PolarHBondContact O-N 3.46Å; K130-Y134 WeakPolarHBondContact O-CA 3.28Å; K130-Y134 VanDerWaalsContact O-CB 3.3Å; K130-Y134 WeakPolarHBondContact O-CB 3.25Å; K130-Y134 PolarHBondContact O-N 3.19Å; K130-G135 PolarHBondContact O-N 3.33Å; K130-M153 HydrophobicContact CD-SD 3.94Å; K130-M153 HydrophobicContact CG-CE 4.28Å; K130-M153 HydrophobicContact CG-SD 4.07Å
131	N	87.6	Confident	81.7	Confident	83 Å²	83	63.5 Å²	63.5	44%	0.444	35%	0.352	S	S	.	.	H	α-helix	trans	-72.2	-37.2	180	-73.8	-36.8	0	0	0	112.5	E127 E128 Y129 G135	E127-N131 VanDerWaalsContact O-CB 3.26Å; E127-N131 WeakPolarHBondContact O-CB 3.4Å; E127-N131 PolarHBondContact O-N 3.2Å; E127-N131 PolarHBondContact O-ND2 3.38Å; E128-N131 PolarHBondContact O-N 3.06Å; Y129-N131 VanDerWaalsContact C-N 3.32Å; Y129-N131 PolarHBondContact O-N 3.5Å; N131-G135 WeakPolarHBondContact O-CA 3.39Å; N131-G135 PolarHBondContact O-N 2.96Å
132	A	87.3	Confident	80.3	Confident	34 Å²	34	63.6 Å²	63.6	28%	0.281	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-43.2	177.5	0	0	0	0	0	112	H116 E128 Y129	H116-A132 VanDerWaalsContact CD2-CB 3.47Å; H116-A132 WeakPolarHBondContact CD2-CB 3.33Å; E128-A132 WeakPolarHBondContact O-CB 3.37Å; E128-A132 PolarHBondContact O-N 3.41Å; Y129-A132 PolarHBondContact O-N 2.7Å
133	T	85.6	Confident	78.9	Confident	54 Å²	54	63.5 Å²	63.5	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-82.5	-43.4	-176	-53.8	0	0	0	0	112.6	H116 Y129	H116-T133 PolarHBondContact NE2-OG1 3.48Å; Y129-T133 HydrophobicContact CE1-CG2 4.48Å; Y129-T133 WeakPolarHBondContact O-CB 3.4Å; Y129-T133 PolarHBondContact O-N 3.03Å; Y129-T133 PolarHBondContact O-OG1 3.49Å; Y129-T133 VanDerWaalsContact O-OG1 3.09Å
134	Y	84.3	Confident	77	Confident	12 Å²	12	70.4 Å²	70.4	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-115.2	-5.6	-170.8	-57.9	-77.6	0	0	0	114.4	Y129 K130 Y136 V137 L138 M152 M153 D156	Y129-Y134 HydrophobicContact CE1-CE2 4.27Å; K130-Y134 WeakPolarHBondContact O-CA 3.28Å; K130-Y134 VanDerWaalsContact O-CB 3.3Å; K130-Y134 WeakPolarHBondContact O-CB 3.25Å; K130-Y134 PolarHBondContact O-N 3.19Å; Y134-Y136 PolarHBondContact O-N 3.4Å; Y134-Y136 VanDerWaalsContact O-N 3.1Å; Y134-V137 PolarHBondContact O-N 3.39Å; Y134-L138 WeakPolarHBondContact O-CG 3.43Å; Y134-L138 PolarHBondContact O-N 3.05Å; Y134-M152 HydrophobicContact CE1-CB 4.37Å; Y134-M153 VanDerWaalsContact CB-CE 3.46Å; Y134-M153 HydrophobicContact CD1-CE 4.08Å; Y134-M153 HydrophobicContact CD2-CB 4.43Å; Y134-M153 HydrophobicContact CD2-CE 3.9Å; Y134-M153 HydrophobicContact CD2-CG 4.25Å; Y134-M153 HydrophobicContact CE1-CB 4.41Å; Y134-M153 HydrophobicContact CE2-CB 4.22Å; Y134-M153 HydrophobicContact CE2-CG 4.3Å; Y134-M153 HydrophobicContact CG-CE 3.55Å; Y134-D156 PolarHBondContact OH-OD2 3.29Å
135	G	76.4	Confident	75.1	Confident	35 Å²	35	75.9 Å²	75.9	36%	0.361	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.9	-172.3	0	0	0	0	0	114.8	K130 N131	K130-G135 PolarHBondContact O-N 3.33Å; N131-G135 WeakPolarHBondContact O-CA 3.39Å; N131-G135 PolarHBondContact O-N 2.96Å
136	Y	67.6	Low	73.2	Confident	202 Å²	202	78 Å²	78	79%	0.792	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.3	176.7	-60	-76.8	0	0	0	113.8	Y134	Y134-Y136 PolarHBondContact O-N 3.4Å; Y134-Y136 VanDerWaalsContact O-N 3.1Å
137	V	64.1	Low	71.5	Confident	33 Å²	33	83.3 Å²	83.3	20%	0.2	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-22.3	-169.2	-174.6	0	0	0	0	111.9	Y134 D139 D140 Y149	Y134-V137 PolarHBondContact O-N 3.39Å; V137-D139 PolarHBondContact O-N 3.14Å; V137-D140 PolarHBondContact O-N 3Å; V137-D140 VanDerWaalsContact O-N 3.13Å; V137-Y149 HydrophobicContact CG1-CD1 3.53Å; V137-Y149 HydrophobicContact CG1-CD2 3.19Å; V137-Y149 HydrophobicContact CG1-CE1 3.61Å; V137-Y149 HydrophobicContact CG1-CE2 3.26Å; V137-Y149 HydrophobicContact CG1-CG 3.31Å; V137-Y149 VanDerWaalsContact CG1-CZ 3.47Å; V137-Y149 HydrophobicContact CG2-CE1 4.41Å
138	L	59.9	Low	70.5	Confident	96 Å²	96	80.2 Å²	80.2	50%	0.503	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	-179.7	-75.9	172.5	0	0	0	115.1	Y134 M153	Y134-L138 WeakPolarHBondContact O-CG 3.43Å; Y134-L138 PolarHBondContact O-N 3.05Å; L138-M153 HydrophobicContact CD1-CE 4.25Å; L138-M153 HydrophobicContact CD2-CE 3.61Å; L138-M153 HydrophobicContact CG-CE 4.11Å
139	D	58.7	Low	69.6	Low	156 Å²	156	83.7 Å²	83.7	83%	0.834	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.4	176.5	-156.7	26.6	0	0	0	112.8	V137	V137-D139 PolarHBondContact O-N 3.14Å
140	D	58.7	Low	69	Low	123 Å²	123	91.1 Å²	91.1	66%	0.658	48%	0.482	S	S	*	.	S	Bend	trans	-95.8	151	178.2	-78.1	-30.4	0	0	0	111.3	V137	V137-D140 PolarHBondContact O-N 3Å; V137-D140 VanDerWaalsContact O-N 3.13Å
141	S	59.2	Low	68.5	Low	115 Å²	115	95.7 Å²	95.7	80%	0.804	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-74	142.5	177.3	-53.9	0	0	0	0	110
142	D	61.3	Low	68.3	Low	68 Å²	68	95.7 Å²	95.7	36%	0.364	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-49.2	131.3	175.3	-71	-33.6	0	0	0	109.8
143	P	60.1	Low	68.3	Low	42 Å²	42	95.1 Å²	95.1	27%	0.273	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-61.9	147.6	179	22.7	-30.6	0	0	0	111.2	D145 F147 Y149	P143-D145 WeakPolarHBondContact CB-OD1 3.49Å; P143-D145 WeakPolarHBondContact CG-OD1 3.5Å; P143-D145 PolarHBondContact O-N 3.06Å; P143-D145 VanDerWaalsContact O-N 3.12Å; P143-F147 WeakPolarHBondContact CD-O 3.42Å; P143-F147 HydrophobicContact CG-CB 4.23Å; P143-F147 WeakPolarHBondContact CG-O 3.37Å; P143-Y149 HydrophobicContact CG-CE2 3.98Å
144	E	55.1	Low	68.4	Low	210 Å²	210	95.2 Å²	95.2	98%	0.981	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-2.4	-179.1	-76.1	-167.3	166	0	0	113.5	G146	E144-G146 VanDerWaalsContact C-N 3.33Å
145	D	55.6	Low	68.7	Low	115 Å²	115	97.5 Å²	97.5	62%	0.615	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.2	-175.9	61.7	7.1	0	0	0	114.3	P143 F147	P143-D145 WeakPolarHBondContact CB-OD1 3.49Å; P143-D145 WeakPolarHBondContact CG-OD1 3.5Å; P143-D145 PolarHBondContact O-N 3.06Å; P143-D145 VanDerWaalsContact O-N 3.12Å; D145-F147 PolarHBondContact OD1-N 2.63Å; D145-F147 VanDerWaalsContact OD1-N 3.14Å
146	G	54.5	Low	69.4	Low	63 Å²	63	96.7 Å²	96.7	65%	0.649	50%	0.497	S	S	*	.	S	Bend	trans	90.2	-0.8	177.3	0	0	0	0	0	114.6	E144 S148	E144-G146 VanDerWaalsContact C-N 3.33Å; G146-S148 PolarHBondContact O-N 3.24Å
147	F	58.6	Low	70.6	Confident	135 Å²	135	90.2 Å²	90.2	59%	0.592	47%	0.474	S	S	*	.			trans	-77.7	103.7	169.4	-90.7	-91.6	0	0	0	110.6	P143 D145 M152	P143-F147 WeakPolarHBondContact CD-O 3.42Å; P143-F147 HydrophobicContact CG-CB 4.23Å; P143-F147 WeakPolarHBondContact CG-O 3.37Å; D145-F147 PolarHBondContact OD1-N 2.63Å; D145-F147 VanDerWaalsContact OD1-N 3.14Å; F147-M152 HydrophobicContact CD1-SD 4.16Å
148	S	70.8	Confident	72.1	Confident	26 Å²	26	92.4 Å²	92.4	18%	0.182	48%	0.478	C	S	.	.			trans	-90.9	106.9	172.9	-172.9	0	0	0	0	110.7	G146 R150 Q151 M152	G146-S148 PolarHBondContact O-N 3.24Å; S148-R150 PolarHBondContact O-N 3.32Å; S148-Q151 WeakPolarHBondContact O-CB 3.34Å; S148-Q151 PolarHBondContact O-N 3.48Å; S148-M152 PolarHBondContact O-N 3.1Å; S148-M152 VanDerWaalsContact O-N 3.16Å
149	Y	73.7	Confident	73.7	Confident	88 Å²	88	90 Å²	90	35%	0.345	46%	0.462	S	S	.	.	H	α-helix	trans	-55.3	-27.8	172.8	-69.1	-68.7	0	0	0	112.8	V137 P143 M153	V137-Y149 HydrophobicContact CG1-CD1 3.53Å; V137-Y149 HydrophobicContact CG1-CD2 3.19Å; V137-Y149 HydrophobicContact CG1-CE1 3.61Å; V137-Y149 HydrophobicContact CG1-CE2 3.26Å; V137-Y149 HydrophobicContact CG1-CG 3.31Å; V137-Y149 VanDerWaalsContact CG1-CZ 3.47Å; V137-Y149 HydrophobicContact CG2-CE1 4.41Å; P143-Y149 HydrophobicContact CG-CE2 3.98Å; Y149-M153 VanDerWaalsContact O-CB 3.29Å; Y149-M153 WeakPolarHBondContact O-CB 3.31Å; Y149-M153 PolarHBondContact O-N 3.42Å
150	R	79.4	Confident	75.5	Confident	182 Å²	182	82.8 Å²	82.8	69%	0.687	42%	0.424	S	S	*	.	H	α-helix	trans	-69	-36.8	174.1	-65.6	-179.1	178	153.4	4.1	112.9	S148 A154	S148-R150 PolarHBondContact O-N 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.26Å; R150-A154 PolarHBondContact O-N 3.07Å
151	Q	80.5	Confident	77.2	Confident	137 Å²	137	82.7 Å²	82.7	64%	0.64	42%	0.417	S	S	*	.	H	α-helix	trans	-69.3	-44.6	176.2	-71.2	174.9	-31.1	0	0	110.6	S148 M153 A154 R155	S148-Q151 WeakPolarHBondContact O-CB 3.34Å; S148-Q151 PolarHBondContact O-N 3.48Å; Q151-M153 PolarHBondContact O-N 3.31Å; Q151-A154 PolarHBondContact O-N 3.21Å; Q151-R155 PolarHBondContact O-N 3.39Å
152	M	82.6	Confident	78.9	Confident	83 Å²	83	81 Å²	81	41%	0.409	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-47.9	174.6	-65.8	-178.2	72.1	0	0	111.7	Y134 F147 S148 A154 R155 D156	Y134-M152 HydrophobicContact CE1-CB 4.37Å; F147-M152 HydrophobicContact CD1-SD 4.16Å; S148-M152 PolarHBondContact O-N 3.1Å; S148-M152 VanDerWaalsContact O-N 3.16Å; M152-A154 VanDerWaalsContact C-N 3.3Å; M152-A154 PolarHBondContact O-N 3.33Å; M152-R155 WeakPolarHBondContact O-CB 3.41Å; M152-R155 PolarHBondContact O-N 3.22Å; M152-R155 VanDerWaalsContact O-N 3.17Å; M152-D156 PolarHBondContact O-N 2.87Å
153	M	87.5	Confident	80.5	Confident	23 Å²	23	77.8 Å²	77.8	11%	0.113	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-39.5	176.9	-175.9	-178.3	-54.9	0	0	112.5	W126 K130 Y134 L138 Y149 Q151 E157	W126-M153 HydrophobicContact CH2-CG 4.36Å; W126-M153 HydrophobicContact CZ2-CG 3.98Å; K130-M153 HydrophobicContact CD-SD 3.94Å; K130-M153 HydrophobicContact CG-CE 4.28Å; K130-M153 HydrophobicContact CG-SD 4.07Å; Y134-M153 VanDerWaalsContact CB-CE 3.46Å; Y134-M153 HydrophobicContact CD1-CE 4.08Å; Y134-M153 HydrophobicContact CD2-CB 4.43Å; Y134-M153 HydrophobicContact CD2-CE 3.9Å; Y134-M153 HydrophobicContact CD2-CG 4.25Å; Y134-M153 HydrophobicContact CE1-CB 4.41Å; Y134-M153 HydrophobicContact CE2-CB 4.22Å; Y134-M153 HydrophobicContact CE2-CG 4.3Å; Y134-M153 HydrophobicContact CG-CE 3.55Å; L138-M153 HydrophobicContact CD1-CE 4.25Å; L138-M153 HydrophobicContact CD2-CE 3.61Å; L138-M153 HydrophobicContact CG-CE 4.11Å; Y149-M153 VanDerWaalsContact O-CB 3.29Å; Y149-M153 WeakPolarHBondContact O-CB 3.31Å; Y149-M153 PolarHBondContact O-N 3.42Å; Q151-M153 PolarHBondContact O-N 3.31Å; M153-E157 WeakPolarHBondContact O-CB 3.36Å; M153-E157 PolarHBondContact O-N 2.9Å
154	A	88.4	Confident	82.2	Confident	56 Å²	56	76.1 Å²	76.1	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-36.7	177.9	0	0	0	0	0	112.3	R150 Q151 M152 R158	R150-A154 WeakPolarHBondContact O-CB 3.26Å; R150-A154 PolarHBondContact O-N 3.07Å; Q151-A154 PolarHBondContact O-N 3.21Å; M152-A154 VanDerWaalsContact C-N 3.3Å; M152-A154 PolarHBondContact O-N 3.33Å; A154-R158 WeakPolarHBondContact O-CB 3.05Å; A154-R158 PolarHBondContact O-N 3.07Å
155	R	89.6	Confident	84.1	Confident	59 Å²	59	71.4 Å²	71.4	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-50.4	173.1	178.5	174.5	172.4	173.8	-0.8	110.6	Q151 M152 E157 R158 R159 E195 D199	Q151-R155 PolarHBondContact O-N 3.39Å; M152-R155 WeakPolarHBondContact O-CB 3.41Å; M152-R155 PolarHBondContact O-N 3.22Å; M152-R155 VanDerWaalsContact O-N 3.17Å; R155-E157 VanDerWaalsContact C-N 3.34Å; R155-E157 PolarHBondContact O-N 3.3Å; R155-R158 WeakPolarHBondContact O-CB 3.18Å; R155-R158 PolarHBondContact O-N 3.2Å; R155-R159 PolarHBondContact O-N 3.28Å; R155-E195 HydrophobicContact CG-CG 3.93Å; R155-E195 WeakPolarHBondContact CG-OE1 3.48Å; R155-E195 IonicContact CZ-OE2 3.82Å; R155-E195 IonicContact NE-OE1 2.68Å; R155-E195 IonicContact NE-OE2 3.77Å; R155-E195 PolarHBondContact NE-OE2 3.36Å; R155-E195 IonicContact NH2-OE2 3.91Å; R155-E195 PolarHBondContact NH2-OE2 2.96Å; R155-D199 IonicContact CZ-OD1 3.53Å; R155-D199 IonicContact CZ-OD2 2.71Å; R155-D199 IonicContact NH1-OD1 2.69Å; R155-D199 PolarHBondContact NH1-OD1 3.48Å; R155-D199 IonicContact NH1-OD2 3.52Å; R155-D199 PolarHBondContact NH1-OD2 3.29Å; R155-D199 IonicContact NH2-OD2 3.26Å; R155-D199 PolarHBondContact NH2-OD2 2.88Å
156	D	91.7	Very high	85.9	Confident	19 Å²	19	70.6 Å²	70.6	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-41.6	176.3	-74.8	-0.9	0	0	0	112.1	W126 Y129 Y134 M152 R158 R159 F160 F179	W126-D156 HydrophobicContact CH2-CB 3.81Å; W126-D156 HydrophobicContact CZ3-CB 4.01Å; Y129-D156 HydrophobicContact CE1-CB 4.25Å; Y129-D156 PolarHBondContact OH-OD2 3.41Å; Y134-D156 PolarHBondContact OH-OD2 3.29Å; M152-D156 PolarHBondContact O-N 2.87Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 3.44Å; D156-R159 PolarHBondContact O-N 3.29Å; D156-F160 VanDerWaalsContact O-CB 3.29Å; D156-F160 WeakPolarHBondContact O-CB 3.49Å; D156-F160 PolarHBondContact O-N 3.29Å; D156-F179 HydrophobicContact CB-CE2 4.4Å; D156-F179 HydrophobicContact CB-CZ 4.34Å; D156-F179 WeakPolarHBondContact O-CE2 3.31Å
157	E	93.7	Very high	87.8	Confident	66 Å²	66	75.6 Å²	75.6	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-40.7	178.3	-168.8	179.4	167.3	0	0	111.2	W126 M153 R155 K161	W126-E157 HydrophobicContact CD2-CB 4.5Å; W126-E157 HydrophobicContact CD2-CG 4.17Å; W126-E157 HydrophobicContact CH2-CB 3.61Å; W126-E157 HydrophobicContact CH2-CG 4.3Å; W126-E157 HydrophobicContact CZ2-CB 3.37Å; W126-E157 HydrophobicContact CZ2-CG 3.72Å; W126-E157 HydrophobicContact CZ3-CB 4.24Å; M153-E157 WeakPolarHBondContact O-CB 3.36Å; M153-E157 PolarHBondContact O-N 2.9Å; R155-E157 VanDerWaalsContact C-N 3.34Å; R155-E157 PolarHBondContact O-N 3.3Å; E157-K161 HydrophobicContact CG-CD 4.38Å; E157-K161 WeakPolarHBondContact O-CB 3.34Å; E157-K161 VanDerWaalsContact O-CG 3.26Å; E157-K161 WeakPolarHBondContact O-CG 3.44Å; E157-K161 PolarHBondContact O-N 3.12Å; E157-K161 VanDerWaalsContact OE1-CE 3.28Å; E157-K161 WeakPolarHBondContact OE1-CE 3.44Å; E157-K161 IonicContact OE1-NZ 3.95Å; E157-K161 PolarHBondContact OE1-NZ 2.81Å
158	R	94.4	Very high	89.5	Confident	78 Å²	78	72.2 Å²	72.2	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-44.9	176.6	-179.5	-178.6	63.3	-156.3	1.9	110.7	A154 R155 D156 K161 M162 I191 E198	A154-R158 WeakPolarHBondContact O-CB 3.05Å; A154-R158 PolarHBondContact O-N 3.07Å; R155-R158 WeakPolarHBondContact O-CB 3.18Å; R155-R158 PolarHBondContact O-N 3.2Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 3.44Å; R158-K161 PolarHBondContact O-N 3.24Å; R158-M162 PolarHBondContact O-N 3.16Å; R158-M162 VanDerWaalsContact O-N 3.11Å; R158-I191 HydrophobicContact CG-CD1 3.92Å; R158-I191 VanDerWaalsContact NE-CD1 3.31Å; R158-E198 IonicContact CZ-OE1 3.41Å; R158-E198 IonicContact CZ-OE2 3.44Å; R158-E198 IonicContact NH1-OE1 3.41Å; R158-E198 PolarHBondContact NH1-OE1 3.35Å; R158-E198 IonicContact NH1-OE2 2.85Å; R158-E198 PolarHBondContact NH1-OE2 3.02Å; R158-E198 IonicContact NH2-OE1 2.64Å; R158-E198 IonicContact NH2-OE2 3.23Å; R158-E198 PolarHBondContact NH2-OE2 3.12Å
159	R	94.4	Very high	90.5	Very high	45 Å²	45	75.5 Å²	75.5	17%	0.17	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-45.1	177.1	-167.3	-167.6	-64.7	-178.9	-0.8	111.4	R155 D156 K161 M162 A163 F179 M188 I191 E195	R155-R159 PolarHBondContact O-N 3.28Å; D156-R159 PolarHBondContact O-N 3.29Å; R159-K161 VanDerWaalsContact C-N 3.33Å; R159-K161 PolarHBondContact O-N 2.78Å; R159-M162 WeakPolarHBondContact O-CB 3.47Å; R159-M162 PolarHBondContact O-N 2.81Å; R159-A163 PolarHBondContact O-N 3.23Å; R159-F179 HydrophobicContact CB-CD2 4.06Å; R159-F179 HydrophobicContact CB-CE2 4.03Å; R159-F179 WeakPolarHBondContact CD-O 3.21Å; R159-F179 HydrophobicContact CG-CD2 3.89Å; R159-F179 HydrophobicContact CG-CE2 4.23Å; R159-F179 PolarHBondContact NH1-O 3.28Å; R159-M188 HydrophobicContact CG-CE 3.73Å; R159-I191 HydrophobicContact CB-CG1 4.23Å; R159-I191 HydrophobicContact CG-CG1 4.17Å; R159-I191 HydrophobicContact CG-CG2 4.25Å; R159-E195 IonicContact CZ-OE1 3.54Å; R159-E195 IonicContact CZ-OE2 3.17Å; R159-E195 IonicContact NE-OE1 3.99Å; R159-E195 PolarHBondContact NE-OE1 2.8Å; R159-E195 VanDerWaalsContact NE-OE1 3.17Å; R159-E195 IonicContact NE-OE2 2.74Å; R159-E195 PolarHBondContact NE-OE2 3.23Å; R159-E195 IonicContact NH2-OE1 3.59Å; R159-E195 IonicContact NH2-OE2 2.65Å; R159-E195 PolarHBondContact NH2-OE2 3.34Å
160	F	95.2	Very high	91.6	Very high	5 Å²	5	74.4 Å²	74.4	2%	0.022	35%	0.354	C	S	.	.	H	α-helix	trans	-58.8	-44.9	177.4	-168.4	-79.9	0	0	0	111.3	V124 W126 D156 M162 A163 D164 A171 F179	V124-F160 WeakPolarHBondContact O-CZ 3.25Å; W126-F160 HydrophobicContact CB-CD1 4.15Å; W126-F160 HydrophobicContact CB-CE1 4.03Å; W126-F160 HydrophobicContact CB-CZ 4.41Å; W126-F160 HydrophobicContact CE3-CB 3.78Å; W126-F160 HydrophobicContact CE3-CD1 4.31Å; W126-F160 AromaticContact CE3-CD2 3.96Å; W126-F160 HydrophobicContact CE3-CD2 3.96Å; W126-F160 AromaticContact CE3-CG 3.75Å; W126-F160 HydrophobicContact CE3-CG 3.75Å; W126-F160 HydrophobicContact CZ3-CB 4.05Å; W126-F160 HydrophobicContact CZ3-CG 4.42Å; D156-F160 VanDerWaalsContact O-CB 3.29Å; D156-F160 WeakPolarHBondContact O-CB 3.49Å; D156-F160 PolarHBondContact O-N 3.29Å; F160-M162 VanDerWaalsContact C-N 3.26Å; F160-M162 PolarHBondContact O-N 3.19Å; F160-A163 PolarHBondContact O-N 3.18Å; F160-D164 WeakPolarHBondContact O-CB 3.29Å; F160-D164 PolarHBondContact O-N 3.46Å; F160-A171 HydrophobicContact CE1-CB 4.44Å; F160-A171 HydrophobicContact CE2-CB 3.87Å; F160-A171 HydrophobicContact CZ-CB 3.62Å; F160-F179 HydrophobicContact CB-CD2 3.94Å; F160-F179 HydrophobicContact CB-CE2 3.95Å; F160-F179 HydrophobicContact CD2-CD1 4.34Å; F160-F179 HydrophobicContact CD2-CD2 4.2Å; F160-F179 HydrophobicContact CD2-CE1 4.49Å; F160-F179 HydrophobicContact CD2-CE2 4.34Å; F160-F179 HydrophobicContact CD2-CG 4.19Å; F160-F179 HydrophobicContact CD2-CZ 4.49Å
161	K	95.3	Very high	92.3	Very high	122 Å²	122	65.8 Å²	65.8	53%	0.53	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-26.8	175.5	-75.2	171.2	-175.7	164	0	114.1	E157 R158 R159	E157-K161 HydrophobicContact CG-CD 4.38Å; E157-K161 WeakPolarHBondContact O-CB 3.34Å; E157-K161 VanDerWaalsContact O-CG 3.26Å; E157-K161 WeakPolarHBondContact O-CG 3.44Å; E157-K161 PolarHBondContact O-N 3.12Å; E157-K161 VanDerWaalsContact OE1-CE 3.28Å; E157-K161 WeakPolarHBondContact OE1-CE 3.44Å; E157-K161 IonicContact OE1-NZ 3.95Å; E157-K161 PolarHBondContact OE1-NZ 2.81Å; R158-K161 PolarHBondContact O-N 3.24Å; R159-K161 VanDerWaalsContact C-N 3.33Å; R159-K161 PolarHBondContact O-N 2.78Å
162	M	94.8	Very high	93	Very high	78 Å²	78	61.6 Å²	61.6	38%	0.384	30%	0.304	S	S	.	.	H	α-helix	trans	-76.5	-37.1	175.9	-168	73.8	178.3	0	0	110.8	R158 R159 F160 H187 M188 I191	R158-M162 PolarHBondContact O-N 3.16Å; R158-M162 VanDerWaalsContact O-N 3.11Å; R159-M162 WeakPolarHBondContact O-CB 3.47Å; R159-M162 PolarHBondContact O-N 2.81Å; F160-M162 VanDerWaalsContact C-N 3.26Å; F160-M162 PolarHBondContact O-N 3.19Å; M162-H187 WeakPolarHBondContact CE-O 3.34Å; M162-M188 HydrophobicContact CB-CE 4.12Å; M162-M188 HydrophobicContact CB-SD 3.81Å; M162-M188 HydrophobicContact CG-CE 4.34Å; M162-M188 HydrophobicContact CG-SD 3.52Å; M162-M188 VanDerWaalsContact CG-SD 3.52Å; M162-I191 HydrophobicContact CG-CB 4.5Å
163	A	95.1	Very high	93.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-72.9	-34	176.4	0	0	0	0	0	112.8	R159 F160 L165 E175 A178 F179 M188	R159-A163 PolarHBondContact O-N 3.23Å; F160-A163 PolarHBondContact O-N 3.18Å; A163-L165 PolarHBondContact O-N 3.44Å; A163-L165 VanDerWaalsContact O-N 3.08Å; A163-E175 WeakPolarHBondContact CB-O 3.45Å; A163-E175 VanDerWaalsContact O-CG 3.32Å; A163-E175 WeakPolarHBondContact O-CG 3.22Å; A163-A178 HydrophobicContact CB-CB 4.31Å; A163-F179 HydrophobicContact CB-CB 3.85Å; A163-M188 HydrophobicContact CB-CE 3.84Å; A163-M188 HydrophobicContact CB-SD 4.1Å
164	D	95.3	Very high	93.7	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.037	32%	0.319	C	S	.	.			trans	-69.6	95	175.8	178	4.7	0	0	0	111	F160 K167 D168 T169	F160-D164 WeakPolarHBondContact O-CB 3.29Å; F160-D164 PolarHBondContact O-N 3.46Å; D164-K167 VanDerWaalsContact CG-CA 3.49Å; D164-K167 WeakPolarHBondContact OD1-CA 3.06Å; D164-K167 PolarHBondContact OD1-N 2.68Å; D164-K167 VanDerWaalsContact OD2-CA 3.31Å; D164-K167 WeakPolarHBondContact OD2-CA 3.38Å; D164-D168 PolarHBondContact OD1-N 3.03Å; D164-D168 PolarHBondContact OD2-N 3.49Å; D164-T169 VanDerWaalsContact OD2-CA 3.3Å; D164-T169 WeakPolarHBondContact OD2-CA 3.09Å; D164-T169 PolarHBondContact OD2-N 2.99Å
165	L	94.6	Very high	94.1	Very high	112 Å²	112	63.3 Å²	63.3	59%	0.586	30%	0.3	S	S	*	.	S	Bend	trans	-78.7	-34.8	-173.3	-68.7	177.7	0	0	0	111.9	A163 E175	A163-L165 PolarHBondContact O-N 3.44Å; A163-L165 VanDerWaalsContact O-N 3.08Å; L165-E175 PolarHBondContact N-OE1 2.84Å
166	D	94.6	Very high	94.3	Very high	98 Å²	98	60.5 Å²	60.5	52%	0.524	29%	0.289	S	S	.	.	S	Bend	trans	-88.7	-10.7	-179	77.4	11.2	0	0	0	113.8	D168	D166-D168 VanDerWaalsContact C-N 3.29Å; D166-D168 VanDerWaalsContact OD1-CB 3.31Å; D166-D168 WeakPolarHBondContact OD1-CB 2.88Å; D166-D168 VanDerWaalsContact OD1-CG 3.24Å; D166-D168 PolarHBondContact OD1-N 3.22Å
167	K	94.2	Very high	94.4	Very high	168 Å²	168	59.7 Å²	59.7	73%	0.73	29%	0.285	S	S	*	.			trans	65.5	30.5	173.7	-53.6	-177.6	-178	-174.6	0	112.7	D164	D164-K167 VanDerWaalsContact CG-CA 3.49Å; D164-K167 WeakPolarHBondContact OD1-CA 3.06Å; D164-K167 PolarHBondContact OD1-N 2.68Å; D164-K167 VanDerWaalsContact OD2-CA 3.31Å; D164-K167 WeakPolarHBondContact OD2-CA 3.38Å
168	D	93.9	Very high	94.3	Very high	64 Å²	64	56.6 Å²	56.6	34%	0.342	27%	0.271	S	S	.	.	S	Bend	trans	-85.6	2.5	178.3	87.7	-8.3	0	0	0	113.2	D164 D166 K170	D164-D168 PolarHBondContact OD1-N 3.03Å; D164-D168 PolarHBondContact OD2-N 3.49Å; D166-D168 VanDerWaalsContact C-N 3.29Å; D166-D168 VanDerWaalsContact OD1-CB 3.31Å; D166-D168 WeakPolarHBondContact OD1-CB 2.88Å; D166-D168 VanDerWaalsContact OD1-CG 3.24Å; D166-D168 PolarHBondContact OD1-N 3.22Å; D168-K170 PolarHBondContact O-N 3.48Å; D168-K170 VanDerWaalsContact OD1-CA 3.31Å; D168-K170 WeakPolarHBondContact OD1-CA 3.19Å; D168-K170 WeakPolarHBondContact OD1-CB 3.15Å; D168-K170 PolarHBondContact OD1-N 3.38Å
169	T	92.8	Very high	94.3	Very high	95 Å²	95	52.9 Å²	52.9	58%	0.583	26%	0.257	S	S	*	.	S	Bend	trans	65.7	18.7	-177.4	64.8	0	0	0	0	114.3	W126 D164	W126-T169 PolarHBondContact N-O 3.06Å; D164-T169 VanDerWaalsContact OD2-CA 3.3Å; D164-T169 WeakPolarHBondContact OD2-CA 3.09Å; D164-T169 PolarHBondContact OD2-N 2.99Å
170	K	94.9	Very high	94.1	Very high	64 Å²	64	52.5 Å²	52.5	28%	0.278	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.8	171.2	-50.4	-177.1	169.5	-162.9	0	108.8	D121 M123 V124 D168	D121-K170 IonicContact OD2-NZ 3.76Å; D121-K170 PolarHBondContact OD2-NZ 2.95Å; M123-K170 HydrophobicContact CB-CB 4.16Å; M123-K170 HydrophobicContact CB-CD 4.24Å; M123-K170 HydrophobicContact SD-CB 4.25Å; M123-K170 HydrophobicContact SD-CD 3.81Å; V124-K170 WeakPolarHBondContact O-CA 3.45Å; D168-K170 PolarHBondContact O-N 3.48Å; D168-K170 VanDerWaalsContact OD1-CA 3.31Å; D168-K170 WeakPolarHBondContact OD1-CA 3.19Å; D168-K170 WeakPolarHBondContact OD1-CB 3.15Å; D168-K170 PolarHBondContact OD1-N 3.38Å
171	A	95.6	Very high	93.7	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.8	174.9	0	0	0	0	0	108.4	W113 V124 F160 E175 F176	W113-A171 WeakPolarHBondContact CH2-O 3.22Å; V124-A171 PolarHBondContact N-O 3.32Å; V124-A171 PolarHBondContact O-N 3.2Å; F160-A171 HydrophobicContact CE1-CB 4.44Å; F160-A171 HydrophobicContact CE2-CB 3.87Å; F160-A171 HydrophobicContact CZ-CB 3.62Å; A171-E175 HydrophobicContact CB-CB 3.96Å; A171-F176 HydrophobicContact CB-CB 3.97Å; A171-F176 HydrophobicContact CB-CD2 4.37Å
172	N	94.9	Very high	93.2	Very high	49 Å²	49	47.2 Å²	47.2	26%	0.262	24%	0.236	S	C	.	.			trans	-71.6	178.6	160	67.7	51.1	0	0	0	110.5	W113 E174 E175 F176	W113-N172 VanDerWaalsContact CH2-C 3.47Å; W113-N172 WeakPolarHBondContact CZ3-O 3.38Å; N172-E174 VanDerWaalsContact C-N 3.32Å; N172-E174 PolarHBondContact O-N 2.96Å; N172-E174 WeakPolarHBondContact OD1-CB 3.48Å; N172-E174 PolarHBondContact OD1-N 3.11Å; N172-E174 PolarHBondContact OD1-OE2 3.34Å; N172-E175 PolarHBondContact N-OE2 2.94Å; N172-E175 PolarHBondContact ND2-OE2 3.15Å; N172-E175 PolarHBondContact O-N 2.83Å; N172-E175 WeakPolarHBondContact OD1-CG 3.43Å; N172-E175 PolarHBondContact OD1-N 3.05Å; N172-F176 WeakPolarHBondContact O-CB 3.39Å; N172-F176 PolarHBondContact O-N 3Å
173	K	91.9	Very high	92.7	Very high	66 Å²	66	47 Å²	47	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-39.4	-173.2	-162.8	170.3	-179.3	-175.7	0	112.5	V109 D110 W113 T177	V109-K173 HydrophobicContact CG1-CG 4.14Å; D110-K173 VanDerWaalsContact OD1-CE 3.29Å; D110-K173 WeakPolarHBondContact OD1-CE 3.47Å; D110-K173 IonicContact OD1-NZ 3.45Å; D110-K173 PolarHBondContact OD1-NZ 3.25Å; D110-K173 IonicContact OD2-NZ 2.95Å; D110-K173 PolarHBondContact OD2-NZ 2.94Å; W113-K173 HydrophobicContact CE3-CB 4.42Å; W113-K173 HydrophobicContact CE3-CG 4.19Å; W113-K173 HydrophobicContact CH2-CB 4.2Å; W113-K173 HydrophobicContact CZ3-CB 4.06Å; W113-K173 HydrophobicContact CZ3-CG 4.31Å; K173-T177 WeakPolarHBondContact O-CB 3.45Å; K173-T177 PolarHBondContact O-N 3.32Å; K173-T177 PolarHBondContact O-OG1 3.03Å
174	E	93.3	Very high	92.1	Very high	117 Å²	117	50.9 Å²	50.9	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-67.2	-42.9	176.4	-69.1	75.2	-169.7	0	0	112.2	N172 T177 A178 Y185	N172-E174 VanDerWaalsContact C-N 3.32Å; N172-E174 PolarHBondContact O-N 2.96Å; N172-E174 WeakPolarHBondContact OD1-CB 3.48Å; N172-E174 PolarHBondContact OD1-N 3.11Å; N172-E174 PolarHBondContact OD1-OE2 3.34Å; E174-T177 WeakPolarHBondContact O-CB 3.13Å; E174-T177 PolarHBondContact O-N 3.48Å; E174-A178 PolarHBondContact O-N 3.13Å; E174-Y185 PolarHBondContact O-OH 3.09Å
175	E	95.6	Very high	91.6	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.065	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-39	177.3	-66.1	169.9	149.5	0	0	111.4	A163 L165 A171 N172 T177 A178 F179	A163-E175 WeakPolarHBondContact CB-O 3.45Å; A163-E175 VanDerWaalsContact O-CG 3.32Å; A163-E175 WeakPolarHBondContact O-CG 3.22Å; L165-E175 PolarHBondContact N-OE1 2.84Å; A171-E175 HydrophobicContact CB-CB 3.96Å; N172-E175 PolarHBondContact N-OE2 2.94Å; N172-E175 PolarHBondContact ND2-OE2 3.15Å; N172-E175 PolarHBondContact O-N 2.83Å; N172-E175 WeakPolarHBondContact OD1-CG 3.43Å; N172-E175 PolarHBondContact OD1-N 3.05Å; E175-T177 VanDerWaalsContact C-N 3.31Å; E175-T177 PolarHBondContact O-N 2.93Å; E175-A178 CarbonylContact O-C 3.59Å; E175-A178 WeakPolarHBondContact O-CB 3.44Å; E175-A178 PolarHBondContact O-N 3.48Å; E175-F179 PolarHBondContact O-N 3.18Å
176	F	94.8	Very high	91.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-33.4	175.9	-167.2	-112.6	0	0	0	111.8	V109 Q112 W113 H116 V124 Y129 A171 N172 F179 L180	V109-F176 HydrophobicContact CG1-CD1 4.23Å; Q112-F176 HydrophobicContact CB-CE1 3.87Å; Q112-F176 HydrophobicContact CB-CZ 4.29Å; W113-F176 HydrophobicContact CE3-CB 3.95Å; W113-F176 AromaticContact CE3-CD1 3.58Å; W113-F176 HydrophobicContact CE3-CD1 3.58Å; W113-F176 HydrophobicContact CE3-CE1 4.32Å; W113-F176 AromaticContact CE3-CG 3.96Å; W113-F176 HydrophobicContact CE3-CG 3.96Å; W113-F176 HydrophobicContact CZ3-CB 3.52Å; W113-F176 HydrophobicContact CZ3-CD1 4.06Å; W113-F176 AromaticContact CZ3-CG 3.94Å; W113-F176 HydrophobicContact CZ3-CG 3.94Å; H116-F176 HydrophobicContact CB-CZ 4.44Å; V124-F176 HydrophobicContact CB-CD2 4.15Å; V124-F176 HydrophobicContact CB-CE2 4.27Å; V124-F176 HydrophobicContact CG1-CD2 4.19Å; V124-F176 HydrophobicContact CG1-CE2 3.87Å; V124-F176 HydrophobicContact CG2-CD2 4.41Å; V124-F176 HydrophobicContact CG2-CE2 4.42Å; Y129-F176 HydrophobicContact CD2-CE2 4.08Å; Y129-F176 HydrophobicContact CD2-CZ 4.47Å; A171-F176 HydrophobicContact CB-CB 3.97Å; A171-F176 HydrophobicContact CB-CD2 4.37Å; N172-F176 WeakPolarHBondContact O-CB 3.39Å; N172-F176 PolarHBondContact O-N 3Å; F176-F179 AromaticContact CD2-CD1 3.98Å; F176-F179 HydrophobicContact CD2-CD1 3.98Å; F176-F179 AromaticContact CE2-CD1 3.91Å; F176-F179 HydrophobicContact CE2-CD1 3.91Å; F176-F179 HydrophobicContact CE2-CE1 4.26Å; F176-F179 PolarHBondContact O-N 3.24Å; F176-L180 HydrophobicContact CD1-CD1 3.86Å; F176-L180 HydrophobicContact CD1-CG 4.38Å; F176-L180 HydrophobicContact CE1-CD1 3.45Å; F176-L180 VanDerWaalsContact CE1-CD1 3.45Å; F176-L180 HydrophobicContact CE1-CG 4.14Å; F176-L180 HydrophobicContact CZ-CD1 3.94Å; F176-L180 HydrophobicContact CZ-CD2 4.37Å; F176-L180 HydrophobicContact CZ-CG 4.25Å; F176-L180 WeakPolarHBondContact O-CG 3.3Å; F176-L180 PolarHBondContact O-N 3.49Å
177	T	92.5	Very high	91.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-44.6	169.8	-52.6	0	0	0	0	110.6	I105 V109 K173 E174 E175 F179 L180 H181 Y185	I105-T177 HydrophobicContact CG2-CG2 3.52Å; V109-T177 HydrophobicContact CG2-CG2 3.85Å; K173-T177 WeakPolarHBondContact O-CB 3.45Å; K173-T177 PolarHBondContact O-N 3.32Å; K173-T177 PolarHBondContact O-OG1 3.03Å; E174-T177 WeakPolarHBondContact O-CB 3.13Å; E174-T177 PolarHBondContact O-N 3.48Å; E175-T177 VanDerWaalsContact C-N 3.31Å; E175-T177 PolarHBondContact O-N 2.93Å; T177-F179 VanDerWaalsContact C-N 3.27Å; T177-F179 PolarHBondContact O-N 3.01Å; T177-L180 PolarHBondContact O-N 2.82Å; T177-H181 PolarHBondContact O-N 2.95Å; T177-Y185 WeakPolarHBondContact CB-OH 3.42Å; T177-Y185 HydrophobicContact CG2-CE2 3.89Å; T177-Y185 VanDerWaalsContact CG2-OH 3.28Å; T177-Y185 WeakPolarHBondContact CG2-OH 3.08Å
178	A	92.8	Very high	90.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-28.5	176.4	0	0	0	0	0	113.4	A163 E174 E175 P182 Y185 M188	A163-A178 HydrophobicContact CB-CB 4.31Å; E174-A178 PolarHBondContact O-N 3.13Å; E175-A178 CarbonylContact O-C 3.59Å; E175-A178 WeakPolarHBondContact O-CB 3.44Å; E175-A178 PolarHBondContact O-N 3.48Å; A178-P182 WeakPolarHBondContact O-CA 3.35Å; A178-Y185 VanDerWaalsContact CA-CD2 3.47Å; A178-Y185 VanDerWaalsContact CA-CE2 3.5Å; A178-Y185 HydrophobicContact CB-CD1 3.87Å; A178-Y185 HydrophobicContact CB-CD2 3.63Å; A178-Y185 HydrophobicContact CB-CE1 4.01Å; A178-Y185 HydrophobicContact CB-CE2 3.82Å; A178-Y185 HydrophobicContact CB-CG 3.65Å; A178-M188 HydrophobicContact CB-CG 4.08Å; A178-M188 WeakPolarHBondContact O-CE 3.34Å
179	F	93.9	Very high	90.6	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-42	174.2	168.4	-107.8	0	0	0	112.7	Y129 D156 R159 F160 A163 E175 F176 T177	Y129-F179 HydrophobicContact CD1-CE1 4.44Å; Y129-F179 HydrophobicContact CD1-CZ 4.24Å; Y129-F179 AromaticContact CD2-CE1 3.98Å; Y129-F179 HydrophobicContact CD2-CE1 3.98Å; Y129-F179 HydrophobicContact CE1-CE1 4.01Å; Y129-F179 AromaticContact CE1-CZ 3.66Å; Y129-F179 HydrophobicContact CE1-CZ 3.66Å; Y129-F179 AromaticContact CE2-CE1 3.5Å; Y129-F179 HydrophobicContact CE2-CE1 3.5Å; Y129-F179 HydrophobicContact CE2-CZ 4.03Å; Y129-F179 HydrophobicContact CG-CE1 4.42Å; Y129-F179 AromaticContact CZ-CE1 3.5Å; Y129-F179 AromaticContact CZ-CZ 3.52Å; D156-F179 HydrophobicContact CB-CE2 4.4Å; D156-F179 HydrophobicContact CB-CZ 4.34Å; D156-F179 WeakPolarHBondContact O-CE2 3.31Å; R159-F179 HydrophobicContact CB-CD2 4.06Å; R159-F179 HydrophobicContact CB-CE2 4.03Å; R159-F179 WeakPolarHBondContact CD-O 3.21Å; R159-F179 HydrophobicContact CG-CD2 3.89Å; R159-F179 HydrophobicContact CG-CE2 4.23Å; R159-F179 PolarHBondContact NH1-O 3.28Å; F160-F179 HydrophobicContact CB-CD2 3.94Å; F160-F179 HydrophobicContact CB-CE2 3.95Å; F160-F179 HydrophobicContact CD2-CD1 4.34Å; F160-F179 HydrophobicContact CD2-CD2 4.2Å; F160-F179 HydrophobicContact CD2-CE1 4.49Å; F160-F179 HydrophobicContact CD2-CE2 4.34Å; F160-F179 HydrophobicContact CD2-CG 4.19Å; F160-F179 HydrophobicContact CD2-CZ 4.49Å; A163-F179 HydrophobicContact CB-CB 3.85Å; E175-F179 PolarHBondContact O-N 3.18Å; F176-F179 AromaticContact CD2-CD1 3.98Å; F176-F179 HydrophobicContact CD2-CD1 3.98Å; F176-F179 AromaticContact CE2-CD1 3.91Å; F176-F179 HydrophobicContact CE2-CD1 3.91Å; F176-F179 HydrophobicContact CE2-CE1 4.26Å; F176-F179 PolarHBondContact O-N 3.24Å; T177-F179 VanDerWaalsContact C-N 3.27Å; T177-F179 PolarHBondContact O-N 3.01Å
180	L	89.4	Confident	90.4	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.188	20%	0.203	C	C	.	.	H	α-helix	trans	-78.4	-37.9	179.6	-67.5	-179	0	0	0	112.9	V109 Q112 F176 T177 P182	V109-L180 HydrophobicContact CG2-CD1 4.11Å; Q112-L180 HydrophobicContact CB-CD1 3.77Å; Q112-L180 HydrophobicContact CG-CD1 3.89Å; F176-L180 HydrophobicContact CD1-CD1 3.86Å; F176-L180 HydrophobicContact CD1-CG 4.38Å; F176-L180 HydrophobicContact CE1-CD1 3.45Å; F176-L180 VanDerWaalsContact CE1-CD1 3.45Å; F176-L180 HydrophobicContact CE1-CG 4.14Å; F176-L180 HydrophobicContact CZ-CD1 3.94Å; F176-L180 HydrophobicContact CZ-CD2 4.37Å; F176-L180 HydrophobicContact CZ-CG 4.25Å; F176-L180 WeakPolarHBondContact O-CG 3.3Å; F176-L180 PolarHBondContact O-N 3.49Å; T177-L180 PolarHBondContact O-N 2.82Å; L180-P182 VanDerWaalsContact O-CD 3.31Å; L180-P182 WeakPolarHBondContact O-CD 3.49Å
181	H	86.8	Confident	90	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.046	19%	0.192	C	C	.	.			trans	-122.7	64.3	-178.2	-60.3	-76.5	0	0	0	111	W104 I105 D108 T177 E183 E184 Y185	W104-H181 AromaticContact CH2-CE1 3.69Å; W104-H181 AromaticContact CZ3-CE1 3.39Å; W104-H181 WeakPolarHBondContact CZ3-CE1 3.28Å; W104-H181 AromaticContact CZ3-ND1 3.86Å; I105-H181 HydrophobicContact CG2-CB 4.34Å; D108-H181 IonicContact OD2-NE2 2.69Å; T177-H181 PolarHBondContact O-N 2.95Å; H181-E183 WeakPolarHBondContact CA-OE1 3.47Å; H181-E183 WeakPolarHBondContact CA-OE2 3.47Å; H181-E183 WeakPolarHBondContact CB-OE1 3.48Å; H181-E183 IonicContact CG-OE1 3.8Å; H181-E183 IonicContact ND1-OE1 2.89Å; H181-E183 PolarHBondContact ND1-OE1 3.01Å; H181-E183 PolarHBondContact O-N 2.82Å; H181-E184 HydrophobicContact CB-CG 4.17Å; H181-E184 PolarHBondContact O-N 2.68Å; H181-Y185 WeakPolarHBondContact O-CD2 3.36Å
182	P	86.4	Confident	89.6	Confident	7 Å²	7	40.7 Å²	40.7	5%	0.045	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-62.6	-24.2	-176.2	28	-37.3	0	0	0	113.9	A178 L180 E184 Y185 M188 I191 V192	A178-P182 WeakPolarHBondContact O-CA 3.35Å; L180-P182 VanDerWaalsContact O-CD 3.31Å; L180-P182 WeakPolarHBondContact O-CD 3.49Å; P182-E184 PolarHBondContact O-N 2.96Å; P182-Y185 PolarHBondContact O-N 2.91Å; P182-M188 HydrophobicContact CB-CB 3.71Å; P182-M188 HydrophobicContact CB-CE 4.07Å; P182-M188 HydrophobicContact CB-CG 4.41Å; P182-M188 WeakPolarHBondContact O-CB 3.06Å; P182-I191 HydrophobicContact CB-CG2 4.21Å; P182-V192 HydrophobicContact CB-CG2 3.68Å; P182-V192 HydrophobicContact CG-CG2 3.76Å
183	E	82.6	Confident	89.1	Confident	73 Å²	73	38.3 Å²	38.3	34%	0.341	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-60.3	-29	176.1	65.8	-74	173.4	0	0	113.3	H181 Y185	H181-E183 WeakPolarHBondContact CA-OE1 3.47Å; H181-E183 WeakPolarHBondContact CA-OE2 3.47Å; H181-E183 WeakPolarHBondContact CB-OE1 3.48Å; H181-E183 IonicContact CG-OE1 3.8Å; H181-E183 IonicContact ND1-OE1 2.89Å; H181-E183 PolarHBondContact ND1-OE1 3.01Å; H181-E183 PolarHBondContact O-N 2.82Å; E183-Y185 VanDerWaalsContact C-N 3.3Å; E183-Y185 PolarHBondContact O-N 3.29Å
184	E	82.9	Confident	88.8	Confident	83 Å²	83	38 Å²	38	39%	0.388	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-81.1	-10.8	-177.1	-65.7	-62.8	124.9	0	0	113.6	Q101 I105 H181 P182	Q101-E184 PolarHBondContact NE2-OE1 3.33Å; I105-E184 HydrophobicContact CD1-CG 3.53Å; H181-E184 HydrophobicContact CB-CG 4.17Å; H181-E184 PolarHBondContact O-N 2.68Å; P182-E184 PolarHBondContact O-N 2.96Å
185	Y	86.1	Confident	88.4	Confident	54 Å²	54	32.6 Å²	32.6	21%	0.212	16%	0.161	C	C	.	.			trans	-119	119.7	-173	-70	-98.2	0	0	0	111.1	E174 T177 A178 H181 P182 E183 H187 M188 K189	E174-Y185 PolarHBondContact O-OH 3.09Å; T177-Y185 WeakPolarHBondContact CB-OH 3.42Å; T177-Y185 HydrophobicContact CG2-CE2 3.89Å; T177-Y185 VanDerWaalsContact CG2-OH 3.28Å; T177-Y185 WeakPolarHBondContact CG2-OH 3.08Å; A178-Y185 VanDerWaalsContact CA-CD2 3.47Å; A178-Y185 VanDerWaalsContact CA-CE2 3.5Å; A178-Y185 HydrophobicContact CB-CD1 3.87Å; A178-Y185 HydrophobicContact CB-CD2 3.63Å; A178-Y185 HydrophobicContact CB-CE1 4.01Å; A178-Y185 HydrophobicContact CB-CE2 3.82Å; A178-Y185 HydrophobicContact CB-CG 3.65Å; H181-Y185 WeakPolarHBondContact O-CD2 3.36Å; P182-Y185 PolarHBondContact O-N 2.91Å; E183-Y185 VanDerWaalsContact C-N 3.3Å; E183-Y185 PolarHBondContact O-N 3.29Å; Y185-H187 AromaticContact CD1-CE1 3.64Å; Y185-H187 AromaticContact CG-CE1 3.96Å; Y185-H187 PolarHBondContact O-N 3Å; Y185-H187 VanDerWaalsContact O-N 3.08Å; Y185-M188 WeakPolarHBondContact O-CA 3.48Å; Y185-M188 WeakPolarHBondContact O-CB 3.4Å; Y185-M188 PolarHBondContact O-N 3.34Å; Y185-K189 PolarHBondContact O-N 2.78Å
186	D	87.6	Confident	87.8	Confident	123 Å²	123	33.7 Å²	33.7	66%	0.658	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.3	-178.2	-75.8	-30.9	0	0	0	113.9	M188 K189	D186-M188 VanDerWaalsContact C-N 3.27Å; D186-M188 PolarHBondContact O-N 3.48Å; D186-K189 WeakPolarHBondContact OD1-CE 3.23Å; D186-K189 IonicContact OD1-NZ 2.99Å; D186-K189 PolarHBondContact OD1-NZ 3.02Å
187	H	90.4	Very high	87.1	Confident	67 Å²	67	34.2 Å²	34.2	31%	0.31	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.2	178.6	69.7	-81.3	0	0	0	113.4	M162 Y185	M162-H187 WeakPolarHBondContact CE-O 3.34Å; Y185-H187 AromaticContact CD1-CE1 3.64Å; Y185-H187 AromaticContact CG-CE1 3.96Å; Y185-H187 PolarHBondContact O-N 3Å; Y185-H187 VanDerWaalsContact O-N 3.08Å
188	M	90.8	Very high	86.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-12.9	178.9	-64.8	-60.5	-76.3	0	0	112.7	R159 M162 A163 A178 P182 Y185 D186 D190 I191 V192	R159-M188 HydrophobicContact CG-CE 3.73Å; M162-M188 HydrophobicContact CB-CE 4.12Å; M162-M188 HydrophobicContact CB-SD 3.81Å; M162-M188 HydrophobicContact CG-CE 4.34Å; M162-M188 HydrophobicContact CG-SD 3.52Å; M162-M188 VanDerWaalsContact CG-SD 3.52Å; A163-M188 HydrophobicContact CB-CE 3.84Å; A163-M188 HydrophobicContact CB-SD 4.1Å; A178-M188 HydrophobicContact CB-CG 4.08Å; A178-M188 WeakPolarHBondContact O-CE 3.34Å; P182-M188 HydrophobicContact CB-CB 3.71Å; P182-M188 HydrophobicContact CB-CE 4.07Å; P182-M188 HydrophobicContact CB-CG 4.41Å; P182-M188 WeakPolarHBondContact O-CB 3.06Å; Y185-M188 WeakPolarHBondContact O-CA 3.48Å; Y185-M188 WeakPolarHBondContact O-CB 3.4Å; Y185-M188 PolarHBondContact O-N 3.34Å; D186-M188 VanDerWaalsContact C-N 3.27Å; D186-M188 PolarHBondContact O-N 3.48Å; M188-D190 PolarHBondContact O-N 3.25Å; M188-D190 VanDerWaalsContact O-N 3.07Å; M188-I191 HydrophobicContact CB-CG2 4.08Å; M188-I191 HydrophobicContact CE-CG2 3.61Å; M188-I191 WeakPolarHBondContact O-CG2 3.31Å; M188-I191 PolarHBondContact O-N 3.49Å; M188-I191 HydrophobicContact SD-CG2 4.21Å; M188-V192 PolarHBondContact O-N 3.22Å
189	K	85.6	Confident	86.2	Confident	51 Å²	51	41.7 Å²	41.7	22%	0.222	21%	0.208	C	C	.	.	H	α-helix	trans	-52	-36.9	176.8	-69.4	-175.5	170.4	165.5	0	113.5	Y185 D186 I191 V192 V193 L259	Y185-K189 PolarHBondContact O-N 2.78Å; D186-K189 WeakPolarHBondContact OD1-CE 3.23Å; D186-K189 IonicContact OD1-NZ 2.99Å; D186-K189 PolarHBondContact OD1-NZ 3.02Å; K189-I191 VanDerWaalsContact C-N 3.3Å; K189-I191 PolarHBondContact O-N 2.89Å; K189-V192 PolarHBondContact O-N 3.33Å; K189-V193 WeakPolarHBondContact O-CG2 3.36Å; K189-V193 PolarHBondContact O-N 2.73Å; K189-L259 HydrophobicContact CB-CD1 3.61Å; K189-L259 HydrophobicContact CD-CD1 3.98Å; K189-L259 HydrophobicContact CG-CD1 3.64Å
190	D	88.8	Confident	85.5	Confident	69 Å²	69	41.9 Å²	41.9	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-66.1	-29.8	178.3	-79.4	3.9	0	0	0	113.6	M188 L194 R255	M188-D190 PolarHBondContact O-N 3.25Å; M188-D190 VanDerWaalsContact O-N 3.07Å; D190-L194 WeakPolarHBondContact O-CB 3.4Å; D190-L194 PolarHBondContact O-N 3.38Å; D190-R255 IonicContact OD1-NE 2.6Å
191	I	88.3	Confident	85.4	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-77	-38.3	175.8	-169.9	65.7	0	0	0	110.6	R158 R159 M162 P182 M188 K189 V193 L194 E195	R158-I191 HydrophobicContact CG-CD1 3.92Å; R158-I191 VanDerWaalsContact NE-CD1 3.31Å; R159-I191 HydrophobicContact CB-CG1 4.23Å; R159-I191 HydrophobicContact CG-CG1 4.17Å; R159-I191 HydrophobicContact CG-CG2 4.25Å; M162-I191 HydrophobicContact CG-CB 4.5Å; P182-I191 HydrophobicContact CB-CG2 4.21Å; M188-I191 HydrophobicContact CB-CG2 4.08Å; M188-I191 HydrophobicContact CE-CG2 3.61Å; M188-I191 WeakPolarHBondContact O-CG2 3.31Å; M188-I191 PolarHBondContact O-N 3.49Å; M188-I191 HydrophobicContact SD-CG2 4.21Å; K189-I191 VanDerWaalsContact C-N 3.3Å; K189-I191 PolarHBondContact O-N 2.89Å; I191-V193 PolarHBondContact O-N 3.12Å; I191-L194 HydrophobicContact CD1-CD2 4.23Å; I191-L194 PolarHBondContact O-N 2.72Å; I191-E195 HydrophobicContact CD1-CG 4.26Å; I191-E195 HydrophobicContact CG1-CG 4.23Å; I191-E195 WeakPolarHBondContact CG1-OE1 3.11Å; I191-E195 VanDerWaalsContact O-CB 3.29Å; I191-E195 WeakPolarHBondContact O-CB 3.07Å; I191-E195 VanDerWaalsContact O-CG 3.25Å; I191-E195 WeakPolarHBondContact O-CG 3.45Å; I191-E195 PolarHBondContact O-N 2.78Å
192	V	85.3	Confident	85.4	Confident	23 Å²	23	48 Å²	48	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-50.9	174.3	179.7	0	0	0	0	110.1	P182 M188 K189 L194 E195 T196	P182-V192 HydrophobicContact CB-CG2 3.68Å; P182-V192 HydrophobicContact CG-CG2 3.76Å; M188-V192 PolarHBondContact O-N 3.22Å; K189-V192 PolarHBondContact O-N 3.33Å; V192-L194 PolarHBondContact O-N 3.23Å; V192-E195 PolarHBondContact O-N 2.53Å; V192-T196 PolarHBondContact O-N 3.47Å; V192-T196 PolarHBondContact O-OG1 3.27Å; V192-T196 VanDerWaalsContact O-OG1 3.07Å
193	V	84.4	Confident	85.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-47.6	179.1	174.5	0	0	0	0	111.7	K189 I191 E195 T196 M197 K251 T254 R255 L259	K189-V193 WeakPolarHBondContact O-CG2 3.36Å; K189-V193 PolarHBondContact O-N 2.73Å; I191-V193 PolarHBondContact O-N 3.12Å; V193-E195 VanDerWaalsContact C-N 3.29Å; V193-E195 PolarHBondContact O-N 3.38Å; V193-T196 PolarHBondContact O-N 2.78Å; V193-M197 HydrophobicContact CG1-SD 4.27Å; V193-M197 VanDerWaalsContact O-CG 3.29Å; V193-M197 WeakPolarHBondContact O-CG 3.48Å; V193-M197 PolarHBondContact O-N 3.17Å; V193-K251 HydrophobicContact CG1-CG 3.85Å; V193-T254 HydrophobicContact CG1-CG2 4.07Å; V193-R255 HydrophobicContact CG1-CB 4.18Å; V193-R255 HydrophobicContact CG2-CB 3.81Å; V193-R255 HydrophobicContact CG2-CG 3.97Å; V193-L259 HydrophobicContact CG2-CD1 4.34Å
194	L	87.4	Confident	85.6	Confident	58 Å²	58	51.1 Å²	51.1	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-43.7	-179.8	175.8	64.3	0	0	0	111.5	D190 I191 V192 M197 E198	D190-L194 WeakPolarHBondContact O-CB 3.4Å; D190-L194 PolarHBondContact O-N 3.38Å; I191-L194 HydrophobicContact CD1-CD2 4.23Å; I191-L194 PolarHBondContact O-N 2.72Å; V192-L194 PolarHBondContact O-N 3.23Å; L194-M197 WeakPolarHBondContact O-CB 3.07Å; L194-M197 PolarHBondContact O-N 3.34Å; L194-E198 WeakPolarHBondContact O-CG 3.48Å; L194-E198 PolarHBondContact O-N 3.27Å
195	E	84.3	Confident	85.9	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.019	27%	0.269	C	S	.	.	H	α-helix	trans	-68.9	-40.3	-178.4	-77.9	-174.4	-169.5	0	0	112.6	R155 R159 I191 V192 V193 M197 E198 D199	R155-E195 HydrophobicContact CG-CG 3.93Å; R155-E195 WeakPolarHBondContact CG-OE1 3.48Å; R155-E195 IonicContact CZ-OE2 3.82Å; R155-E195 IonicContact NE-OE1 2.68Å; R155-E195 IonicContact NE-OE2 3.77Å; R155-E195 PolarHBondContact NE-OE2 3.36Å; R155-E195 IonicContact NH2-OE2 3.91Å; R155-E195 PolarHBondContact NH2-OE2 2.96Å; R159-E195 IonicContact CZ-OE1 3.54Å; R159-E195 IonicContact CZ-OE2 3.17Å; R159-E195 IonicContact NE-OE1 3.99Å; R159-E195 PolarHBondContact NE-OE1 2.8Å; R159-E195 VanDerWaalsContact NE-OE1 3.17Å; R159-E195 IonicContact NE-OE2 2.74Å; R159-E195 PolarHBondContact NE-OE2 3.23Å; R159-E195 IonicContact NH2-OE1 3.59Å; R159-E195 IonicContact NH2-OE2 2.65Å; R159-E195 PolarHBondContact NH2-OE2 3.34Å; I191-E195 HydrophobicContact CD1-CG 4.26Å; I191-E195 HydrophobicContact CG1-CG 4.23Å; I191-E195 WeakPolarHBondContact CG1-OE1 3.11Å; I191-E195 VanDerWaalsContact O-CB 3.29Å; I191-E195 WeakPolarHBondContact O-CB 3.07Å; I191-E195 VanDerWaalsContact O-CG 3.25Å; I191-E195 WeakPolarHBondContact O-CG 3.45Å; I191-E195 PolarHBondContact O-N 2.78Å; V192-E195 PolarHBondContact O-N 2.53Å; V193-E195 VanDerWaalsContact C-N 3.29Å; V193-E195 PolarHBondContact O-N 3.38Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 2.94Å; E195-E198 PolarHBondContact O-N 2.94Å; E195-D199 VanDerWaalsContact O-CG 3.32Å; E195-D199 PolarHBondContact O-N 3Å
196	T	81.9	Confident	86	Confident	37 Å²	37	50.2 Å²	50.2	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-39.1	171.7	-54.6	0	0	0	0	111.5	V192 V193 D199 I200 I258	V192-T196 PolarHBondContact O-N 3.47Å; V192-T196 PolarHBondContact O-OG1 3.27Å; V192-T196 VanDerWaalsContact O-OG1 3.07Å; V193-T196 PolarHBondContact O-N 2.78Å; T196-D199 PolarHBondContact O-N 3.07Å; T196-I200 HydrophobicContact CG2-CD1 3.75Å; T196-I200 HydrophobicContact CG2-CG1 4.48Å; T196-I200 WeakPolarHBondContact O-CG1 3.42Å; T196-I200 PolarHBondContact O-N 2.89Å; T196-I200 VanDerWaalsContact O-N 3.11Å; T196-I258 VanDerWaalsContact CB-CD1 3.49Å; T196-I258 HydrophobicContact CG2-CD1 3.39Å; T196-I258 HydrophobicContact CG2-CG1 4.36Å
197	M	81.3	Confident	86.2	Confident	11 Å²	11	46.8 Å²	46.8	5%	0.054	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-45.2	173.3	-69.4	179.3	82.8	0	0	111.6	V193 L194 E195 D199 I200 D201 G206 I208 K251 T254	V193-M197 HydrophobicContact CG1-SD 4.27Å; V193-M197 VanDerWaalsContact O-CG 3.29Å; V193-M197 WeakPolarHBondContact O-CG 3.48Å; V193-M197 PolarHBondContact O-N 3.17Å; L194-M197 WeakPolarHBondContact O-CB 3.07Å; L194-M197 PolarHBondContact O-N 3.34Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 2.94Å; M197-D199 PolarHBondContact O-N 3.01Å; M197-I200 PolarHBondContact O-N 3.23Å; M197-D201 WeakPolarHBondContact O-CB 3.46Å; M197-D201 PolarHBondContact O-N 3.14Å; M197-G206 WeakPolarHBondContact CE-O 3.2Å; M197-I208 HydrophobicContact CB-CD1 4.49Å; M197-I208 HydrophobicContact CG-CD1 4.03Å; M197-K251 HydrophobicContact CE-CB 4.41Å; M197-K251 HydrophobicContact SD-CB 3.89Å; M197-K251 HydrophobicContact SD-CG 4.06Å; M197-T254 HydrophobicContact CG-CG2 3.7Å; M197-T254 HydrophobicContact SD-CG2 4.48Å
198	E	84.4	Confident	86	Confident	89 Å²	89	43.6 Å²	43.6	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-29.9	177.7	-73.5	174.6	170.5	0	0	113.1	R158 L194 E195	R158-E198 IonicContact CZ-OE1 3.41Å; R158-E198 IonicContact CZ-OE2 3.44Å; R158-E198 IonicContact NH1-OE1 3.41Å; R158-E198 PolarHBondContact NH1-OE1 3.35Å; R158-E198 IonicContact NH1-OE2 2.85Å; R158-E198 PolarHBondContact NH1-OE2 3.02Å; R158-E198 IonicContact NH2-OE1 2.64Å; R158-E198 IonicContact NH2-OE2 3.23Å; R158-E198 PolarHBondContact NH2-OE2 3.12Å; L194-E198 WeakPolarHBondContact O-CG 3.48Å; L194-E198 PolarHBondContact O-N 3.27Å; E195-E198 PolarHBondContact O-N 2.94Å
199	D	80.6	Confident	86	Confident	72 Å²	72	45.4 Å²	45.4	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-73.7	-35.6	176.8	-70.2	-29.9	0	0	0	111.8	R155 E195 T196 M197 K202	R155-D199 IonicContact CZ-OD1 3.53Å; R155-D199 IonicContact CZ-OD2 2.71Å; R155-D199 IonicContact NH1-OD1 2.69Å; R155-D199 PolarHBondContact NH1-OD1 3.48Å; R155-D199 IonicContact NH1-OD2 3.52Å; R155-D199 PolarHBondContact NH1-OD2 3.29Å; R155-D199 IonicContact NH2-OD2 3.26Å; R155-D199 PolarHBondContact NH2-OD2 2.88Å; E195-D199 VanDerWaalsContact O-CG 3.32Å; E195-D199 PolarHBondContact O-N 3Å; T196-D199 PolarHBondContact O-N 3.07Å; M197-D199 PolarHBondContact O-N 3.01Å; D199-K202 PolarHBondContact O-NZ 2.99Å
200	I	80.8	Confident	86	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-89.7	-41.8	-177.1	-60.4	170.3	0	0	0	112.3	T196 M197 K202 I208 E212 D216 W257	T196-I200 HydrophobicContact CG2-CD1 3.75Å; T196-I200 HydrophobicContact CG2-CG1 4.48Å; T196-I200 WeakPolarHBondContact O-CG1 3.42Å; T196-I200 PolarHBondContact O-N 2.89Å; T196-I200 VanDerWaalsContact O-N 3.11Å; M197-I200 PolarHBondContact O-N 3.23Å; I200-K202 WeakPolarHBondContact O-CG 3.39Å; I200-K202 PolarHBondContact O-N 3.28Å; I200-I208 HydrophobicContact CB-CD1 4.13Å; I200-I208 HydrophobicContact CB-CG1 4.16Å; I200-I208 HydrophobicContact CD1-CD1 4.09Å; I200-I208 HydrophobicContact CG2-CB 4.4Å; I200-I208 HydrophobicContact CG2-CD1 4.16Å; I200-I208 HydrophobicContact CG2-CG1 3.95Å; I200-I208 HydrophobicContact CG2-CG2 3.62Å; I200-E212 HydrophobicContact CG2-CB 4.12Å; I200-D216 HydrophobicContact CG1-CB 4.43Å; I200-D216 HydrophobicContact CG2-CB 4.47Å; I200-W257 HydrophobicContact CD1-CH2 3.79Å; I200-W257 HydrophobicContact CD1-CZ3 3.73Å
201	D	87.2	Confident	85.9	Confident	20 Å²	20	47.1 Å²	47.1	11%	0.107	27%	0.268	C	S	.	.			trans	-68.4	90	-179	176.4	14.6	0	0	0	111	M197 N203 G204 D205 G206	M197-D201 WeakPolarHBondContact O-CB 3.46Å; M197-D201 PolarHBondContact O-N 3.14Å; D201-N203 VanDerWaalsContact C-N 3.32Å; D201-N203 PolarHBondContact OD1-N 2.91Å; D201-G204 WeakPolarHBondContact OD1-CA 3.25Å; D201-G204 PolarHBondContact OD1-N 2.77Å; D201-G204 VanDerWaalsContact OD2-C 3.31Å; D201-G204 VanDerWaalsContact OD2-CA 3.23Å; D201-G204 WeakPolarHBondContact OD2-CA 3.29Å; D201-D205 PolarHBondContact OD1-N 2.98Å; D201-D205 PolarHBondContact OD2-N 3.22Å; D201-G206 WeakPolarHBondContact OD2-CA 3.31Å; D201-G206 PolarHBondContact OD2-N 3.4Å
202	K	86.1	Confident	85.8	Confident	155 Å²	155	47.6 Å²	47.6	67%	0.674	27%	0.27	S	S	*	.	S	Bend	trans	-75.8	-25.2	-179.3	-56.9	-49.6	-178.1	-169.5	0	111.7	D199 I200 E212	D199-K202 PolarHBondContact O-NZ 2.99Å; I200-K202 WeakPolarHBondContact O-CG 3.39Å; I200-K202 PolarHBondContact O-N 3.28Å; K202-E212 PolarHBondContact N-OE1 2.7Å
203	N	86.6	Confident	85.5	Confident	82 Å²	82	46.7 Å²	46.7	44%	0.439	26%	0.264	S	S	.	.	S	Bend	trans	-89.8	-18.3	-174.8	85.9	64.6	0	0	0	113	D201 D205 E212	D201-N203 VanDerWaalsContact C-N 3.32Å; D201-N203 PolarHBondContact OD1-N 2.91Å; N203-D205 PolarHBondContact ND2-OD1 3.04Å; N203-D205 WeakPolarHBondContact OD1-CB 3.4Å; N203-D205 PolarHBondContact OD1-N 3.23Å; N203-D205 PolarHBondContact OD1-OD1 3.11Å; N203-E212 WeakPolarHBondContact CB-OE1 3.22Å; N203-E212 PolarHBondContact N-OE1 3.33Å; N203-E212 VanDerWaalsContact ND2-CD 3.33Å; N203-E212 PolarHBondContact ND2-OE1 3.15Å; N203-E212 PolarHBondContact ND2-OE2 3.19Å
204	G	87.1	Confident	85.2	Confident	63 Å²	63	46.9 Å²	46.9	65%	0.649	27%	0.265	S	S	*	.			trans	76.2	25.2	175.1	0	0	0	0	0	114.4	D201 G206	D201-G204 WeakPolarHBondContact OD1-CA 3.25Å; D201-G204 PolarHBondContact OD1-N 2.77Å; D201-G204 VanDerWaalsContact OD2-C 3.31Å; D201-G204 VanDerWaalsContact OD2-CA 3.23Å; D201-G204 WeakPolarHBondContact OD2-CA 3.29Å; G204-G206 VanDerWaalsContact C-N 3.33Å
205	D	89	Confident	84.5	Confident	75 Å²	75	45.3 Å²	45.3	40%	0.401	26%	0.263	S	S	.	.	S	Bend	trans	-87.1	-2.6	177.6	75.8	-4.7	0	0	0	113.8	D201 N203 L207 K248	D201-D205 PolarHBondContact OD1-N 2.98Å; D201-D205 PolarHBondContact OD2-N 3.22Å; N203-D205 PolarHBondContact ND2-OD1 3.04Å; N203-D205 WeakPolarHBondContact OD1-CB 3.4Å; N203-D205 PolarHBondContact OD1-N 3.23Å; N203-D205 PolarHBondContact OD1-OD1 3.11Å; D205-L207 VanDerWaalsContact C-N 3.3Å; D205-L207 PolarHBondContact OD1-N 3.34Å; D205-L207 VanDerWaalsContact OD1-N 3.09Å; D205-L207 VanDerWaalsContact OD1-O 3.05Å; D205-K248 IonicContact OD1-NZ 2.94Å; D205-K248 IonicContact OD2-NZ 2.72Å; D205-K248 PolarHBondContact OD2-NZ 2.64Å
206	G	87.6	Confident	83.8	Confident	44 Å²	44	49.3 Å²	49.3	45%	0.454	28%	0.284	S	S	.	.	S	Bend	trans	77.3	15.9	178.1	0	0	0	0	0	113.5	M197 D201 G204	M197-G206 WeakPolarHBondContact CE-O 3.2Å; D201-G206 WeakPolarHBondContact OD2-CA 3.31Å; D201-G206 PolarHBondContact OD2-N 3.4Å; G204-G206 VanDerWaalsContact C-N 3.33Å
207	L	91.5	Very high	83.1	Confident	50 Å²	50	51.5 Å²	51.5	26%	0.262	29%	0.293	S	S	.	.	S	Bend	trans	-130.5	151.6	175	-60.9	171.7	0	0	0	108.1	D205 K248 D250	D205-L207 VanDerWaalsContact C-N 3.3Å; D205-L207 PolarHBondContact OD1-N 3.34Å; D205-L207 VanDerWaalsContact OD1-N 3.09Å; D205-L207 VanDerWaalsContact OD1-O 3.05Å; L207-K248 HydrophobicContact CB-CB 4.11Å; L207-K248 HydrophobicContact CB-CD 3.92Å; L207-K248 HydrophobicContact CD1-CB 4.42Å; L207-K248 HydrophobicContact CD1-CD 3.53Å; L207-K248 HydrophobicContact CG-CD 4.37Å; L207-D250 HydrophobicContact CD2-CB 3.94Å
208	I	87.4	Confident	82.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.5	174.1	-64.7	162.4	0	0	0	107.7	M197 I200 E212 K248 M249 T254	M197-I208 HydrophobicContact CB-CD1 4.49Å; M197-I208 HydrophobicContact CG-CD1 4.03Å; I200-I208 HydrophobicContact CB-CD1 4.13Å; I200-I208 HydrophobicContact CB-CG1 4.16Å; I200-I208 HydrophobicContact CD1-CD1 4.09Å; I200-I208 HydrophobicContact CG2-CB 4.4Å; I200-I208 HydrophobicContact CG2-CD1 4.16Å; I200-I208 HydrophobicContact CG2-CG1 3.95Å; I200-I208 HydrophobicContact CG2-CG2 3.62Å; I208-E212 HydrophobicContact CG2-CB 4.3Å; I208-K248 CarbonylContact O-C 3.58Å; I208-K248 WeakPolarHBondContact O-CA 3.46Å; I208-M249 HydrophobicContact CB-CB 4.21Å; I208-M249 PolarHBondContact N-O 3.27Å; I208-M249 PolarHBondContact O-N 3.41Å; I208-T254 HydrophobicContact CD1-CG2 4.04Å
209	D	90.3	Very high	81.6	Confident	39 Å²	39	54.6 Å²	54.6	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	169.3	172	74.1	45.6	0	0	0	112.8	D211 E212 Y213 K248	D209-D211 PolarHBondContact O-N 3.38Å; D209-D211 WeakPolarHBondContact OD1-CA 3.37Å; D209-D211 PolarHBondContact OD1-N 3.43Å; D209-E212 PolarHBondContact N-OE2 3.42Å; D209-E212 PolarHBondContact O-N 3.34Å; D209-E212 PolarHBondContact OD1-N 2.88Å; D209-Y213 WeakPolarHBondContact O-CB 3.4Å; D209-Y213 PolarHBondContact O-N 3.05Å; D209-K248 HydrophobicContact CB-CG 4.07Å
210	L	86.6	Confident	80.7	Confident	44 Å²	44	56.2 Å²	56.2	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-35.5	-177.3	-178.1	66.4	0	0	0	112.8	I214 R234 F237	L210-I214 HydrophobicContact CD1-CG1 4.2Å; L210-I214 HydrophobicContact CG-CG1 4.48Å; L210-I214 WeakPolarHBondContact O-CB 3.43Å; L210-I214 VanDerWaalsContact O-CG1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 3.29Å; L210-R234 HydrophobicContact CD1-CB 4.24Å; L210-R234 HydrophobicContact CD1-CG 4.05Å; L210-R234 HydrophobicContact CD2-CB 4.38Å; L210-R234 HydrophobicContact CD2-CG 4.15Å; L210-R234 HydrophobicContact CG-CG 4.32Å; L210-F237 HydrophobicContact CB-CD1 4.43Å; L210-F237 HydrophobicContact CB-CE1 4.24Å; L210-F237 HydrophobicContact CD1-CB 3.67Å; L210-F237 HydrophobicContact CD1-CD1 3.59Å; L210-F237 HydrophobicContact CD1-CD2 4.07Å; L210-F237 HydrophobicContact CD1-CE1 4.21Å; L210-F237 HydrophobicContact CD1-CG 3.5Å
211	D	86.1	Confident	79.3	Confident	112 Å²	112	62.9 Å²	62.9	60%	0.599	35%	0.35	S	S	*	.	H	α-helix	trans	-76.1	-31.7	-177.9	-69.8	-28.3	0	0	0	110.7	D209 G215 R234	D209-D211 PolarHBondContact O-N 3.38Å; D209-D211 WeakPolarHBondContact OD1-CA 3.37Å; D209-D211 PolarHBondContact OD1-N 3.43Å; D211-G215 WeakPolarHBondContact O-CA 3.35Å; D211-G215 PolarHBondContact O-N 2.83Å; D211-R234 IonicContact OD1-NH1 3.03Å; D211-R234 PolarHBondContact OD1-NH1 3.34Å
212	E	85.3	Confident	77.8	Confident	17 Å²	17	65.7 Å²	65.7	8%	0.079	38%	0.384	C	S	.	.	H	α-helix	trans	-69.1	-45.6	170.5	-69.3	170.5	150.2	0	0	112.1	I200 K202 N203 I208 D209 I214 G215 D216	I200-E212 HydrophobicContact CG2-CB 4.12Å; K202-E212 PolarHBondContact N-OE1 2.7Å; N203-E212 WeakPolarHBondContact CB-OE1 3.22Å; N203-E212 PolarHBondContact N-OE1 3.33Å; N203-E212 VanDerWaalsContact ND2-CD 3.33Å; N203-E212 PolarHBondContact ND2-OE1 3.15Å; N203-E212 PolarHBondContact ND2-OE2 3.19Å; I208-E212 HydrophobicContact CG2-CB 4.3Å; D209-E212 PolarHBondContact N-OE2 3.42Å; D209-E212 PolarHBondContact O-N 3.34Å; D209-E212 PolarHBondContact OD1-N 2.88Å; E212-I214 PolarHBondContact O-N 2.99Å; E212-G215 PolarHBondContact O-N 3.48Å; E212-D216 PolarHBondContact O-N 3.04Å
213	Y	79.3	Confident	76.3	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-58.4	-48.4	176.1	178.8	-104.1	0	0	0	111.9	D209 M217 E233 F237 M249 W257	D209-Y213 WeakPolarHBondContact O-CB 3.4Å; D209-Y213 PolarHBondContact O-N 3.05Å; Y213-M217 HydrophobicContact CE1-SD 4.3Å; Y213-E233 HydrophobicContact CE1-CG 3.9Å; Y213-E233 PolarHBondContact OH-OE1 2.73Å; Y213-F237 HydrophobicContact CD1-CB 4.27Å; Y213-F237 AromaticContact CD1-CD2 3.48Å; Y213-F237 HydrophobicContact CD1-CD2 3.48Å; Y213-F237 VanDerWaalsContact CD1-CD2 3.48Å; Y213-F237 HydrophobicContact CD1-CE2 4.21Å; Y213-F237 HydrophobicContact CD1-CG 4.26Å; Y213-F237 HydrophobicContact CD2-CD2 4.1Å; Y213-F237 HydrophobicContact CD2-CE2 4.3Å; Y213-F237 HydrophobicContact CE1-CB 4.21Å; Y213-F237 AromaticContact CE1-CD2 3.93Å; Y213-F237 HydrophobicContact CE1-CD2 3.93Å; Y213-F237 AromaticContact CG-CD2 3.57Å; Y213-F237 HydrophobicContact CG-CD2 3.57Å; Y213-F237 AromaticContact CG-CE2 3.86Å; Y213-F237 HydrophobicContact CG-CE2 3.86Å; Y213-M249 HydrophobicContact CD2-SD 4.2Å; Y213-M249 HydrophobicContact CE2-SD 4.45Å; Y213-W257 HydrophobicContact CD2-CH2 4.33Å; Y213-W257 HydrophobicContact CD2-CZ2 4.43Å; Y213-W257 HydrophobicContact CE2-CD2 4.47Å; Y213-W257 AromaticContact CE2-CE2 3.92Å; Y213-W257 HydrophobicContact CE2-CH2 4.03Å; Y213-W257 AromaticContact CE2-CZ2 3.69Å; Y213-W257 HydrophobicContact CE2-CZ2 3.69Å
214	I	79	Confident	75	Confident	5 Å²	5	67 Å²	67	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-71.7	-36.1	177	-63.8	-59.3	0	0	0	111.3	L210 E212 D216 M217 Y218 V230 E233 R234	L210-I214 HydrophobicContact CD1-CG1 4.2Å; L210-I214 HydrophobicContact CG-CG1 4.48Å; L210-I214 WeakPolarHBondContact O-CB 3.43Å; L210-I214 VanDerWaalsContact O-CG1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 3.29Å; E212-I214 PolarHBondContact O-N 2.99Å; I214-D216 PolarHBondContact O-N 3.2Å; I214-M217 PolarHBondContact O-N 3.47Å; I214-M217 VanDerWaalsContact O-N 3.12Å; I214-Y218 WeakPolarHBondContact O-CA 3.39Å; I214-Y218 PolarHBondContact O-N 2.93Å; I214-V230 HydrophobicContact CD1-CG1 4.29Å; I214-V230 HydrophobicContact CG2-CG1 3.6Å; I214-E233 HydrophobicContact CD1-CB 3.97Å; I214-E233 HydrophobicContact CD1-CG 4.03Å; I214-R234 HydrophobicContact CD1-CG 3.93Å; I214-R234 HydrophobicContact CG1-CG 3.85Å
215	G	72.4	Confident	73.9	Confident	24 Å²	24	68.6 Å²	68.6	25%	0.247	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-28.6	179.8	0	0	0	0	0	113.5	D211 E212 N219	D211-G215 WeakPolarHBondContact O-CA 3.35Å; D211-G215 PolarHBondContact O-N 2.83Å; E212-G215 PolarHBondContact O-N 3.48Å; G215-N219 PolarHBondContact O-OD1 2.62Å
216	D	70.2	Confident	73.1	Confident	89 Å²	89	67.5 Å²	67.5	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-39.4	172.6	-165.5	64.3	0	0	0	112.1	I200 E212 I214	I200-D216 HydrophobicContact CG1-CB 4.43Å; I200-D216 HydrophobicContact CG2-CB 4.47Å; E212-D216 PolarHBondContact O-N 3.04Å; I214-D216 PolarHBondContact O-N 3.2Å
217	M	67.1	Low	72.7	Confident	82 Å²	82	67.2 Å²	67.2	40%	0.404	38%	0.378	S	S	.	.	H	α-helix	trans	-89	-29.3	-178.3	-56.2	176.4	79	0	0	113.6	Y213 I214 W229 E233	Y213-M217 HydrophobicContact CE1-SD 4.3Å; I214-M217 PolarHBondContact O-N 3.47Å; I214-M217 VanDerWaalsContact O-N 3.12Å; M217-W229 HydrophobicContact CB-CH2 4.16Å; M217-W229 HydrophobicContact CB-CZ3 4.25Å; M217-W229 HydrophobicContact CE-CZ3 4.42Å; M217-E233 HydrophobicContact CE-CG 4.17Å; M217-E233 HydrophobicContact SD-CG 3.89Å
218	Y	69.3	Low	71.9	Confident	49 Å²	49	71.1 Å²	71.1	19%	0.192	40%	0.395	C	S	.	.			trans	-144.2	107	-171.9	-178.7	-111.1	0	0	0	111.8	I214 Q220 P227 W229 V230	I214-Y218 WeakPolarHBondContact O-CA 3.39Å; I214-Y218 PolarHBondContact O-N 2.93Å; Y218-Q220 HydrophobicContact CD1-CB 4.44Å; Y218-Q220 HydrophobicContact CE1-CB 3.89Å; Y218-Q220 HydrophobicContact CE1-CG 4.04Å; Y218-Q220 PolarHBondContact O-N 3.13Å; Y218-P227 HydrophobicContact CE2-CG 4.04Å; Y218-W229 AromaticContact CD2-CZ2 3.96Å; Y218-W229 HydrophobicContact CD2-CZ2 3.96Å; Y218-W229 HydrophobicContact CG-CH2 4.41Å; Y218-W229 HydrophobicContact CG-CZ2 4.23Å; Y218-V230 HydrophobicContact CD1-CG2 4.04Å; Y218-V230 HydrophobicContact CD2-CG2 4.44Å; Y218-V230 HydrophobicContact CG-CG2 3.93Å
219	N	63.8	Low	71.3	Confident	117 Å²	117	74.9 Å²	74.9	63%	0.626	41%	0.409	S	S	*	.			trans	-82.4	115.2	168	-72.1	-59.2	0	0	0	109.7	G215 D221	G215-N219 PolarHBondContact O-OD1 2.62Å; N219-D221 PolarHBondContact O-N 3.08Å
220	Q	61.6	Low	70.7	Confident	105 Å²	105	73 Å²	73	49%	0.491	40%	0.399	S	S	.	.			trans	-74.8	71.2	178.1	-164.6	176	12.8	0	0	111.2	Y218 G222 D223	Y218-Q220 HydrophobicContact CD1-CB 4.44Å; Y218-Q220 HydrophobicContact CE1-CB 3.89Å; Y218-Q220 HydrophobicContact CE1-CG 4.04Å; Y218-Q220 PolarHBondContact O-N 3.13Å; Q220-G222 PolarHBondContact O-N 3.48Å; Q220-D223 PolarHBondContact NE2-O 3.36Å
221	D	52.9	Low	70.3	Confident	144 Å²	144	75 Å²	75	77%	0.77	41%	0.406	S	S	*	.			trans	-81.2	82.4	177.1	-84.4	-30	0	0	0	111.3	N219 D223	N219-D221 PolarHBondContact O-N 3.08Å; D221-D223 VanDerWaalsContact C-N 3.33Å; D221-D223 PolarHBondContact O-N 3.02Å; D221-D223 VanDerWaalsContact O-N 3.15Å
222	G	54.9	Low	69.8	Low	79 Å²	79	72 Å²	72	81%	0.814	39%	0.392	S	S	*	.	S	Bend	trans	80.8	-6.3	156.9	0	0	0	0	0	117.6	Q220	Q220-G222 PolarHBondContact O-N 3.48Å
223	D	54.1	Low	69.4	Low	107 Å²	107	71.8 Å²	71.8	57%	0.572	39%	0.391	S	S	*	.			trans	-99.2	127.8	168.8	-138.4	-9	0	0	0	111.2	Q220 D221 T225	Q220-D223 PolarHBondContact NE2-O 3.36Å; D221-D223 VanDerWaalsContact C-N 3.33Å; D221-D223 PolarHBondContact O-N 3.02Å; D221-D223 VanDerWaalsContact O-N 3.15Å; D223-T225 PolarHBondContact O-N 2.73Å
224	N	59.9	Low	69.5	Low	157 Å²	157	74.1 Å²	74.1	84%	0.84	40%	0.4	S	S	*	.			trans	-81.9	5.7	-175.3	-86.5	-25.5	0	0	0	113
225	T	64.7	Low	69.8	Low	97 Å²	97	79.9 Å²	79.9	60%	0.595	43%	0.426	S	S	*	.			trans	-103.9	102	178.8	25.2	0	0	0	0	110.1	D223 P227	D223-T225 PolarHBondContact O-N 2.73Å; T225-P227 WeakPolarHBondContact O-CD 3.4Å
226	E	71.1	Confident	70	Confident	53 Å²	53	81.3 Å²	81.3	25%	0.248	43%	0.427	C	S	.	.			trans	-62.7	123.9	169.2	-171.9	169.7	105.5	0	0	109.5	V230 K231 R234	E226-V230 VanDerWaalsContact CD-CG1 3.47Å; E226-V230 HydrophobicContact CG-CB 3.62Å; E226-V230 HydrophobicContact CG-CG1 3.47Å; E226-V230 VanDerWaalsContact CG-CG1 3.47Å; E226-V230 HydrophobicContact CG-CG2 4.43Å; E226-K231 HydrophobicContact CG-CG 4.38Å; E226-K231 WeakPolarHBondContact OE1-CG 3.39Å; E226-R234 WeakPolarHBondContact OE1-CD 3.48Å; E226-R234 IonicContact OE1-NE 3.86Å; E226-R234 PolarHBondContact OE1-NE 2.84Å; E226-R234 VanDerWaalsContact OE1-NE 3.13Å; E226-R234 IonicContact OE2-CZ 2.79Å; E226-R234 IonicContact OE2-NE 3.8Å; E226-R234 PolarHBondContact OE2-NE 3.3Å; E226-R234 IonicContact OE2-NH2 3.69Å; E226-R234 PolarHBondContact OE2-NH2 3.06Å
227	P	79.1	Confident	70.6	Confident	37 Å²	37	77.2 Å²	77.2	24%	0.24	40%	0.404	C	S	.	.			trans	-57	152.8	174.9	-24	33.1	0	0	0	112.5	Y218 T225 W229 V230 K231	Y218-P227 HydrophobicContact CE2-CG 4.04Å; T225-P227 WeakPolarHBondContact O-CD 3.4Å; P227-W229 VanDerWaalsContact C-N 3.29Å; P227-W229 HydrophobicContact CB-CG 4.13Å; P227-W229 VanDerWaalsContact CB-NE1 3.27Å; P227-W229 PolarHBondContact O-N 2.84Å; P227-V230 HydrophobicContact CB-CG2 4.13Å; P227-V230 HydrophobicContact CG-CG2 4.05Å; P227-V230 PolarHBondContact O-N 3.18Å; P227-K231 PolarHBondContact O-N 3.27Å
228	E	75.3	Confident	71.4	Confident	132 Å²	132	76.7 Å²	76.7	62%	0.617	41%	0.406	S	S	*	.	H	α-helix	trans	-62.5	-35.9	177.9	-75.2	-64.5	132	0	0	112.5	V230 K231 T232	E228-V230 VanDerWaalsContact C-N 3.29Å; E228-V230 PolarHBondContact O-N 3.48Å; E228-K231 WeakPolarHBondContact O-CB 3.42Å; E228-K231 PolarHBondContact O-N 3Å; E228-K231 VanDerWaalsContact O-N 3.1Å; E228-K231 IonicContact OE1-NZ 2.84Å; E228-K231 PolarHBondContact OE1-NZ 3.38Å; E228-T232 PolarHBondContact O-N 3.46Å; E228-T232 PolarHBondContact O-OG1 2.96Å
229	W	73.5	Confident	72	Confident	80 Å²	80	80.5 Å²	80.5	30%	0.303	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-37.8	176.1	71.4	-100.8	0	0	0	112	M217 Y218 P227 K231 T232 E233	M217-W229 HydrophobicContact CB-CH2 4.16Å; M217-W229 HydrophobicContact CB-CZ3 4.25Å; M217-W229 HydrophobicContact CE-CZ3 4.42Å; Y218-W229 AromaticContact CD2-CZ2 3.96Å; Y218-W229 HydrophobicContact CD2-CZ2 3.96Å; Y218-W229 HydrophobicContact CG-CH2 4.41Å; Y218-W229 HydrophobicContact CG-CZ2 4.23Å; P227-W229 VanDerWaalsContact C-N 3.29Å; P227-W229 HydrophobicContact CB-CG 4.13Å; P227-W229 VanDerWaalsContact CB-NE1 3.27Å; P227-W229 PolarHBondContact O-N 2.84Å; W229-K231 VanDerWaalsContact C-N 3.29Å; W229-K231 PolarHBondContact O-N 2.67Å; W229-T232 WeakPolarHBondContact O-CB 2.95Å; W229-T232 PolarHBondContact O-N 3.11Å; W229-E233 WeakPolarHBondContact O-CB 3.46Å; W229-E233 PolarHBondContact O-N 2.83Å
230	V	77.8	Confident	72.7	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-63.6	-37.5	176.1	177.1	0	0	0	0	110.8	I214 Y218 E226 P227 E228 E233 R234	I214-V230 HydrophobicContact CD1-CG1 4.29Å; I214-V230 HydrophobicContact CG2-CG1 3.6Å; Y218-V230 HydrophobicContact CD1-CG2 4.04Å; Y218-V230 HydrophobicContact CD2-CG2 4.44Å; Y218-V230 HydrophobicContact CG-CG2 3.93Å; E226-V230 VanDerWaalsContact CD-CG1 3.47Å; E226-V230 HydrophobicContact CG-CB 3.62Å; E226-V230 HydrophobicContact CG-CG1 3.47Å; E226-V230 VanDerWaalsContact CG-CG1 3.47Å; E226-V230 HydrophobicContact CG-CG2 4.43Å; P227-V230 HydrophobicContact CB-CG2 4.13Å; P227-V230 HydrophobicContact CG-CG2 4.05Å; P227-V230 PolarHBondContact O-N 3.18Å; E228-V230 VanDerWaalsContact C-N 3.29Å; E228-V230 PolarHBondContact O-N 3.48Å; V230-E233 PolarHBondContact O-N 3.5Å; V230-R234 VanDerWaalsContact O-CG 3.31Å; V230-R234 WeakPolarHBondContact O-CG 2.95Å; V230-R234 PolarHBondContact O-N 3.2Å
231	K	79	Confident	73.7	Confident	84 Å²	84	79.5 Å²	79.5	37%	0.365	41%	0.412	S	S	.	.	H	α-helix	trans	-66.3	-44.8	176	-63	176.3	-169.3	166.7	0	111.5	E226 P227 E228 W229 E233 R234 E235	E226-K231 HydrophobicContact CG-CG 4.38Å; E226-K231 WeakPolarHBondContact OE1-CG 3.39Å; P227-K231 PolarHBondContact O-N 3.27Å; E228-K231 WeakPolarHBondContact O-CB 3.42Å; E228-K231 PolarHBondContact O-N 3Å; E228-K231 VanDerWaalsContact O-N 3.1Å; E228-K231 IonicContact OE1-NZ 2.84Å; E228-K231 PolarHBondContact OE1-NZ 3.38Å; W229-K231 VanDerWaalsContact C-N 3.29Å; W229-K231 PolarHBondContact O-N 2.67Å; K231-E233 PolarHBondContact O-N 3.34Å; K231-R234 PolarHBondContact O-N 2.96Å; K231-E235 PolarHBondContact O-N 2.92Å; K231-E235 VanDerWaalsContact O-N 3.07Å
232	T	76.2	Confident	75.4	Confident	49 Å²	49	72.9 Å²	72.9	30%	0.301	38%	0.377	S	S	.	.	H	α-helix	trans	-56.8	-43.8	173.5	-54.6	0	0	0	0	110.2	E228 W229 R234 E235 Q236	E228-T232 PolarHBondContact O-N 3.46Å; E228-T232 PolarHBondContact O-OG1 2.96Å; W229-T232 WeakPolarHBondContact O-CB 2.95Å; W229-T232 PolarHBondContact O-N 3.11Å; T232-R234 VanDerWaalsContact C-N 3.35Å; T232-R234 PolarHBondContact O-N 2.9Å; T232-E235 CarbonylContact O-C 3.31Å; T232-E235 WeakPolarHBondContact O-CA 3.4Å; T232-E235 WeakPolarHBondContact O-CB 2.9Å; T232-E235 PolarHBondContact O-N 2.87Å; T232-E235 VanDerWaalsContact O-N 3.09Å; T232-Q236 HydrophobicContact CG2-CG 4.44Å; T232-Q236 WeakPolarHBondContact O-CG 2.95Å; T232-Q236 PolarHBondContact O-N 3.36Å
233	E	75.8	Confident	76.9	Confident	13 Å²	13	75 Å²	75	6%	0.061	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-36.2	-178.1	-154.5	53	-152.3	0	0	112.3	Y213 I214 M217 W229 V230 K231 E235 Q236 F237	Y213-E233 HydrophobicContact CE1-CG 3.9Å; Y213-E233 PolarHBondContact OH-OE1 2.73Å; I214-E233 HydrophobicContact CD1-CB 3.97Å; I214-E233 HydrophobicContact CD1-CG 4.03Å; M217-E233 HydrophobicContact CE-CG 4.17Å; M217-E233 HydrophobicContact SD-CG 3.89Å; W229-E233 WeakPolarHBondContact O-CB 3.46Å; W229-E233 PolarHBondContact O-N 2.83Å; V230-E233 PolarHBondContact O-N 3.5Å; K231-E233 PolarHBondContact O-N 3.34Å; E233-E235 VanDerWaalsContact C-N 3.34Å; E233-E235 PolarHBondContact O-N 2.93Å; E233-Q236 PolarHBondContact O-N 2.6Å; E233-F237 WeakPolarHBondContact O-CB 3.33Å; E233-F237 PolarHBondContact O-N 3.35Å
234	R	82.7	Confident	78.6	Confident	54 Å²	54	73.5 Å²	73.5	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-37.3	170.7	-69.3	178.4	-176.4	-75.1	4.7	112.8	L210 D211 I214 E226 V230 K231 T232 T238	L210-R234 HydrophobicContact CD1-CB 4.24Å; L210-R234 HydrophobicContact CD1-CG 4.05Å; L210-R234 HydrophobicContact CD2-CB 4.38Å; L210-R234 HydrophobicContact CD2-CG 4.15Å; L210-R234 HydrophobicContact CG-CG 4.32Å; D211-R234 IonicContact OD1-NH1 3.03Å; D211-R234 PolarHBondContact OD1-NH1 3.34Å; I214-R234 HydrophobicContact CD1-CG 3.93Å; I214-R234 HydrophobicContact CG1-CG 3.85Å; E226-R234 WeakPolarHBondContact OE1-CD 3.48Å; E226-R234 IonicContact OE1-NE 3.86Å; E226-R234 PolarHBondContact OE1-NE 2.84Å; E226-R234 VanDerWaalsContact OE1-NE 3.13Å; E226-R234 IonicContact OE2-CZ 2.79Å; E226-R234 IonicContact OE2-NE 3.8Å; E226-R234 PolarHBondContact OE2-NE 3.3Å; E226-R234 IonicContact OE2-NH2 3.69Å; E226-R234 PolarHBondContact OE2-NH2 3.06Å; V230-R234 VanDerWaalsContact O-CG 3.31Å; V230-R234 WeakPolarHBondContact O-CG 2.95Å; V230-R234 PolarHBondContact O-N 3.2Å; K231-R234 PolarHBondContact O-N 2.96Å; T232-R234 VanDerWaalsContact C-N 3.35Å; T232-R234 PolarHBondContact O-N 2.9Å; R234-T238 PolarHBondContact O-N 2.82Å; R234-T238 PolarHBondContact O-OG1 3.28Å
235	E	83.9	Confident	80	Confident	126 Å²	126	73.4 Å²	73.4	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-67.2	-46	173.5	-69	179.2	175.2	0	0	110.5	K231 T232 E233 F237 T238 E239	K231-E235 PolarHBondContact O-N 2.92Å; K231-E235 VanDerWaalsContact O-N 3.07Å; T232-E235 CarbonylContact O-C 3.31Å; T232-E235 WeakPolarHBondContact O-CA 3.4Å; T232-E235 WeakPolarHBondContact O-CB 2.9Å; T232-E235 PolarHBondContact O-N 2.87Å; T232-E235 VanDerWaalsContact O-N 3.09Å; E233-E235 VanDerWaalsContact C-N 3.34Å; E233-E235 PolarHBondContact O-N 2.93Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.37Å; E235-T238 PolarHBondContact O-N 3.07Å; E235-T238 VanDerWaalsContact O-N 3.16Å; E235-E239 WeakPolarHBondContact O-CB 3.16Å; E235-E239 WeakPolarHBondContact O-CG 3.32Å; E235-E239 PolarHBondContact O-N 3.39Å
236	Q	78.4	Confident	81.2	Confident	54 Å²	54	73.1 Å²	73.1	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-41.5	176.6	-71.3	-162.4	34.1	0	0	112.6	T232 E233 T238 E239 F240 R241	T232-Q236 HydrophobicContact CG2-CG 4.44Å; T232-Q236 WeakPolarHBondContact O-CG 2.95Å; T232-Q236 PolarHBondContact O-N 3.36Å; E233-Q236 PolarHBondContact O-N 2.6Å; Q236-T238 VanDerWaalsContact C-N 3.32Å; Q236-T238 PolarHBondContact O-N 3.27Å; Q236-E239 PolarHBondContact O-N 3.46Å; Q236-F240 PolarHBondContact O-N 2.97Å; Q236-R241 PolarHBondContact O-N 2.98Å
237	F	81.1	Confident	82	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.009	35%	0.349	C	S	.	.	I	π-helix	trans	-54.2	-51.7	174.4	-178.7	-84.6	0	0	0	110.7	L210 Y213 E233 E235 E239 R241 D242 M249	L210-F237 HydrophobicContact CB-CD1 4.43Å; L210-F237 HydrophobicContact CB-CE1 4.24Å; L210-F237 HydrophobicContact CD1-CB 3.67Å; L210-F237 HydrophobicContact CD1-CD1 3.59Å; L210-F237 HydrophobicContact CD1-CD2 4.07Å; L210-F237 HydrophobicContact CD1-CE1 4.21Å; L210-F237 HydrophobicContact CD1-CG 3.5Å; Y213-F237 HydrophobicContact CD1-CB 4.27Å; Y213-F237 AromaticContact CD1-CD2 3.48Å; Y213-F237 HydrophobicContact CD1-CD2 3.48Å; Y213-F237 VanDerWaalsContact CD1-CD2 3.48Å; Y213-F237 HydrophobicContact CD1-CE2 4.21Å; Y213-F237 HydrophobicContact CD1-CG 4.26Å; Y213-F237 HydrophobicContact CD2-CD2 4.1Å; Y213-F237 HydrophobicContact CD2-CE2 4.3Å; Y213-F237 HydrophobicContact CE1-CB 4.21Å; Y213-F237 AromaticContact CE1-CD2 3.93Å; Y213-F237 HydrophobicContact CE1-CD2 3.93Å; Y213-F237 AromaticContact CG-CD2 3.57Å; Y213-F237 HydrophobicContact CG-CD2 3.57Å; Y213-F237 AromaticContact CG-CE2 3.86Å; Y213-F237 HydrophobicContact CG-CE2 3.86Å; E233-F237 WeakPolarHBondContact O-CB 3.33Å; E233-F237 PolarHBondContact O-N 3.35Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.37Å; F237-E239 VanDerWaalsContact C-N 3.34Å; F237-E239 PolarHBondContact O-N 2.99Å; F237-R241 HydrophobicContact CD2-CB 4.19Å; F237-R241 HydrophobicContact CG-CB 4.44Å; F237-R241 WeakPolarHBondContact O-CA 3.49Å; F237-R241 WeakPolarHBondContact O-CB 3.44Å; F237-R241 PolarHBondContact O-N 3.28Å; F237-R241 VanDerWaalsContact O-N 3.07Å; F237-D242 HydrophobicContact CD1-CB 4.28Å; F237-D242 HydrophobicContact CE1-CB 4.02Å; F237-D242 PolarHBondContact O-N 2.92Å; F237-M249 HydrophobicContact CD2-CG 4.34Å; F237-M249 HydrophobicContact CD2-SD 3.89Å; F237-M249 HydrophobicContact CE2-CG 3.51Å; F237-M249 HydrophobicContact CE2-SD 3.41Å; F237-M249 WeakPolarHBondContact CE2-SD 3.39Å; F237-M249 HydrophobicContact CZ-CG 3.71Å; F237-M249 HydrophobicContact CZ-SD 4.25Å
238	T	85.2	Confident	82.6	Confident	71 Å²	71	73 Å²	73	44%	0.436	35%	0.349	S	S	.	.	I	π-helix	trans	-70.9	-29.4	-176.3	-51.3	0	0	0	0	113	R234 E235 Q236	R234-T238 PolarHBondContact O-N 2.82Å; R234-T238 PolarHBondContact O-OG1 3.28Å; E235-T238 PolarHBondContact O-N 3.07Å; E235-T238 VanDerWaalsContact O-N 3.16Å; Q236-T238 VanDerWaalsContact C-N 3.32Å; Q236-T238 PolarHBondContact O-N 3.27Å
239	E	81.9	Confident	83.3	Confident	130 Å²	130	66.8 Å²	66.8	61%	0.607	32%	0.319	S	S	*	.	I	π-helix	trans	-89.2	-37.1	-176.3	-71.4	-165.6	167.8	0	0	113.7	E235 Q236 F237	E235-E239 WeakPolarHBondContact O-CB 3.16Å; E235-E239 WeakPolarHBondContact O-CG 3.32Å; E235-E239 PolarHBondContact O-N 3.39Å; Q236-E239 PolarHBondContact O-N 3.46Å; F237-E239 VanDerWaalsContact C-N 3.34Å; F237-E239 PolarHBondContact O-N 2.99Å
240	F	78.4	Confident	84.2	Confident	130 Å²	130	65 Å²	65	57%	0.57	32%	0.316	S	S	*	.	I	π-helix	trans	-123.4	-30.2	-168.6	-63.1	-78.2	0	0	0	114.6	Q236	Q236-F240 PolarHBondContact O-N 2.97Å
241	R	81.8	Confident	84.7	Confident	71 Å²	71	69.2 Å²	69.2	27%	0.268	33%	0.334	S	S	.	.	I	π-helix	trans	-88.9	-50.6	-176.7	-52.4	-58.6	-179	-154.9	-0.9	111.9	Q236 F237 K243 M249 W257	Q236-R241 PolarHBondContact O-N 2.98Å; F237-R241 HydrophobicContact CD2-CB 4.19Å; F237-R241 HydrophobicContact CG-CB 4.44Å; F237-R241 WeakPolarHBondContact O-CA 3.49Å; F237-R241 WeakPolarHBondContact O-CB 3.44Å; F237-R241 PolarHBondContact O-N 3.28Å; F237-R241 VanDerWaalsContact O-N 3.07Å; R241-K243 PolarHBondContact O-N 3.4Å; R241-K243 VanDerWaalsContact O-N 3.15Å; R241-M249 HydrophobicContact CB-CE 4.06Å; R241-M249 HydrophobicContact CB-CG 4.21Å; R241-M249 HydrophobicContact CB-SD 3.71Å; R241-M249 HydrophobicContact CG-SD 4.44Å; R241-W257 VanDerWaalsContact CZ-CD1 3.49Å
242	D	88.1	Confident	85.2	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.027	35%	0.351	C	S	.	.			trans	-81.4	84.5	172.8	177.5	9.5	0	0	0	110	F237 N244 K245 D246 G247	F237-D242 HydrophobicContact CD1-CB 4.28Å; F237-D242 HydrophobicContact CE1-CB 4.02Å; F237-D242 PolarHBondContact O-N 2.92Å; D242-N244 PolarHBondContact OD1-OD1 2.87Å; D242-K245 VanDerWaalsContact CG-CA 3.47Å; D242-K245 WeakPolarHBondContact OD1-CA 3.4Å; D242-K245 PolarHBondContact OD1-N 2.94Å; D242-K245 VanDerWaalsContact OD2-CA 3.28Å; D242-K245 WeakPolarHBondContact OD2-CA 3.32Å; D242-D246 PolarHBondContact OD1-N 3.37Å; D242-D246 VanDerWaalsContact OD1-N 3.1Å; D242-D246 PolarHBondContact OD2-N 2.71Å; D242-G247 VanDerWaalsContact OD2-CA 3.24Å; D242-G247 WeakPolarHBondContact OD2-CA 3.23Å; D242-G247 PolarHBondContact OD2-N 3.23Å
243	K	87.3	Confident	85.8	Confident	122 Å²	122	70.6 Å²	70.6	53%	0.53	34%	0.338	S	S	.	.	S	Bend	trans	-72.4	-35.9	-177.2	-65.2	-179.4	-178.1	-179.9	0	111	R241 K245 E253 D256	R241-K243 PolarHBondContact O-N 3.4Å; R241-K243 VanDerWaalsContact O-N 3.15Å; K243-K245 VanDerWaalsContact C-N 3.33Å; K243-E253 WeakPolarHBondContact CA-OE1 3.45Å; K243-E253 HydrophobicContact CB-CG 4.36Å; K243-E253 WeakPolarHBondContact CB-OE1 3.29Å; K243-E253 HydrophobicContact CG-CG 4.41Å; K243-E253 PolarHBondContact N-OE1 2.69Å; K243-D256 IonicContact NZ-OD2 3.26Å; K243-D256 PolarHBondContact NZ-OD2 3.11Å
244	N	89.7	Confident	86.2	Confident	77 Å²	77	70 Å²	70	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-83	-13.4	-176.1	79.9	26.1	0	0	0	112.7	D242 D246 D250 E253	D242-N244 PolarHBondContact OD1-OD1 2.87Å; N244-D246 PolarHBondContact ND2-OD2 2.69Å; N244-D246 VanDerWaalsContact ND2-OD2 3.09Å; N244-D246 WeakPolarHBondContact OD1-CB 3.17Å; N244-D246 PolarHBondContact OD1-N 3.26Å; N244-D246 PolarHBondContact OD1-OD1 2.89Å; N244-D246 PolarHBondContact OD1-OD2 2.74Å; N244-D250 PolarHBondContact ND2-OD2 3.36Å; N244-E253 PolarHBondContact N-OE1 2.63Å
245	K	90.1	Very high	86.2	Confident	154 Å²	154	71.8 Å²	71.8	67%	0.67	34%	0.342	S	S	*	.			trans	64.2	35.3	179.3	-56.1	-165.5	176.2	-157.2	0	114.2	D242 K243	D242-K245 VanDerWaalsContact CG-CA 3.47Å; D242-K245 WeakPolarHBondContact OD1-CA 3.4Å; D242-K245 PolarHBondContact OD1-N 2.94Å; D242-K245 VanDerWaalsContact OD2-CA 3.28Å; D242-K245 WeakPolarHBondContact OD2-CA 3.32Å; K243-K245 VanDerWaalsContact C-N 3.33Å
246	D	89.4	Confident	86.1	Confident	91 Å²	91	68.4 Å²	68.4	49%	0.487	33%	0.328	S	S	.	.	S	Bend	trans	-91.1	-3.5	177.4	76.6	15.4	0	0	0	113.7	D242 N244 K248	D242-D246 PolarHBondContact OD1-N 3.37Å; D242-D246 VanDerWaalsContact OD1-N 3.1Å; D242-D246 PolarHBondContact OD2-N 2.71Å; N244-D246 PolarHBondContact ND2-OD2 2.69Å; N244-D246 VanDerWaalsContact ND2-OD2 3.09Å; N244-D246 WeakPolarHBondContact OD1-CB 3.17Å; N244-D246 PolarHBondContact OD1-N 3.26Å; N244-D246 PolarHBondContact OD1-OD1 2.89Å; N244-D246 PolarHBondContact OD1-OD2 2.74Å; D246-K248 PolarHBondContact OD1-N 2.85Å
247	G	88.2	Confident	86.1	Confident	38 Å²	38	68.9 Å²	68.9	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	85.9	6.6	178.4	0	0	0	0	0	114.2	D242	D242-G247 VanDerWaalsContact OD2-CA 3.24Å; D242-G247 WeakPolarHBondContact OD2-CA 3.23Å; D242-G247 PolarHBondContact OD2-N 3.23Å
248	K	92	Very high	85.7	Confident	51 Å²	51	70.6 Å²	70.6	22%	0.222	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	162.7	178.5	-62	176.8	167.9	-97.4	0	109.2	D205 L207 I208 D209 D246	D205-K248 IonicContact OD1-NZ 2.94Å; D205-K248 IonicContact OD2-NZ 2.72Å; D205-K248 PolarHBondContact OD2-NZ 2.64Å; L207-K248 HydrophobicContact CB-CB 4.11Å; L207-K248 HydrophobicContact CB-CD 3.92Å; L207-K248 HydrophobicContact CD1-CB 4.42Å; L207-K248 HydrophobicContact CD1-CD 3.53Å; L207-K248 HydrophobicContact CG-CD 4.37Å; I208-K248 CarbonylContact O-C 3.58Å; I208-K248 WeakPolarHBondContact O-CA 3.46Å; D209-K248 HydrophobicContact CB-CG 4.07Å; D246-K248 PolarHBondContact OD1-N 2.85Å
249	M	89.4	Confident	85	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.3	169.8	-69	173.6	67.4	0	0	109.8	I208 Y213 F237 R241 E253 W257	I208-M249 HydrophobicContact CB-CB 4.21Å; I208-M249 PolarHBondContact N-O 3.27Å; I208-M249 PolarHBondContact O-N 3.41Å; Y213-M249 HydrophobicContact CD2-SD 4.2Å; Y213-M249 HydrophobicContact CE2-SD 4.45Å; F237-M249 HydrophobicContact CD2-CG 4.34Å; F237-M249 HydrophobicContact CD2-SD 3.89Å; F237-M249 HydrophobicContact CE2-CG 3.51Å; F237-M249 HydrophobicContact CE2-SD 3.41Å; F237-M249 WeakPolarHBondContact CE2-SD 3.39Å; F237-M249 HydrophobicContact CZ-CG 3.71Å; F237-M249 HydrophobicContact CZ-SD 4.25Å; R241-M249 HydrophobicContact CB-CE 4.06Å; R241-M249 HydrophobicContact CB-CG 4.21Å; R241-M249 HydrophobicContact CB-SD 3.71Å; R241-M249 HydrophobicContact CG-SD 4.44Å; M249-E253 WeakPolarHBondContact CA-OE2 3.46Å; M249-E253 HydrophobicContact CB-CB 4.31Å; M249-W257 HydrophobicContact CE-CB 3.81Å; M249-W257 HydrophobicContact CE-CD2 4.07Å; M249-W257 HydrophobicContact CE-CE3 3.83Å; M249-W257 HydrophobicContact CE-CG 4.1Å
250	D	91.7	Very high	84.5	Confident	43 Å²	43	65 Å²	65	23%	0.23	31%	0.311	C	S	.	.			trans	-84.8	174.5	169.5	72.5	42	0	0	0	112.4	L207 N244 E252 E253 T254	L207-D250 HydrophobicContact CD2-CB 3.94Å; N244-D250 PolarHBondContact ND2-OD2 3.36Å; D250-E252 VanDerWaalsContact C-N 3.26Å; D250-E252 PolarHBondContact O-N 3.2Å; D250-E252 WeakPolarHBondContact OD1-CA 3.33Å; D250-E252 WeakPolarHBondContact OD1-CB 3.31Å; D250-E252 PolarHBondContact OD1-N 3.32Å; D250-E253 PolarHBondContact N-OE2 3.4Å; D250-E253 PolarHBondContact O-N 3.42Å; D250-E253 PolarHBondContact OD1-N 2.94Å; D250-T254 WeakPolarHBondContact O-CB 3.21Å; D250-T254 PolarHBondContact O-N 3.11Å; D250-T254 PolarHBondContact O-OG1 3.48Å
251	K	89.4	Confident	83.8	Confident	89 Å²	89	63.5 Å²	63.5	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-56.8	-36.1	-178.6	-174.4	-179.4	179.9	-175.4	0	113.4	V193 M197 R255	V193-K251 HydrophobicContact CG1-CG 3.85Å; M197-K251 HydrophobicContact CE-CB 4.41Å; M197-K251 HydrophobicContact SD-CB 3.89Å; M197-K251 HydrophobicContact SD-CG 4.06Å; K251-R255 VanDerWaalsContact O-CB 3.24Å; K251-R255 WeakPolarHBondContact O-CB 3.47Å; K251-R255 PolarHBondContact O-N 3.24Å
252	E	89	Confident	83	Confident	153 Å²	153	67.6 Å²	67.6	72%	0.715	34%	0.344	S	S	*	.	H	α-helix	trans	-72.6	-40.8	-179.8	-63.7	-172.2	173.9	0	0	110.5	D250 R255 D256	D250-E252 VanDerWaalsContact C-N 3.26Å; D250-E252 PolarHBondContact O-N 3.2Å; D250-E252 WeakPolarHBondContact OD1-CA 3.33Å; D250-E252 WeakPolarHBondContact OD1-CB 3.31Å; D250-E252 PolarHBondContact OD1-N 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 3Å; E252-D256 PolarHBondContact O-N 2.65Å
253	E	88.1	Confident	82	Confident	9 Å²	9	72.1 Å²	72.1	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-43.2	175.3	-69.4	168.5	151.3	0	0	112	K243 N244 M249 D250 R255 D256 W257	K243-E253 WeakPolarHBondContact CA-OE1 3.45Å; K243-E253 HydrophobicContact CB-CG 4.36Å; K243-E253 WeakPolarHBondContact CB-OE1 3.29Å; K243-E253 HydrophobicContact CG-CG 4.41Å; K243-E253 PolarHBondContact N-OE1 2.69Å; N244-E253 PolarHBondContact N-OE1 2.63Å; M249-E253 WeakPolarHBondContact CA-OE2 3.46Å; M249-E253 HydrophobicContact CB-CB 4.31Å; D250-E253 PolarHBondContact N-OE2 3.4Å; D250-E253 PolarHBondContact O-N 3.42Å; D250-E253 PolarHBondContact OD1-N 2.94Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-R255 PolarHBondContact O-N 3.19Å; E253-D256 PolarHBondContact O-N 3.05Å; E253-W257 WeakPolarHBondContact O-CB 3.5Å; E253-W257 PolarHBondContact O-N 3.39Å
254	T	83.6	Confident	81.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-39.2	173	-53.7	0	0	0	0	111.6	V193 M197 I208 D250 W257 I258	V193-T254 HydrophobicContact CG1-CG2 4.07Å; M197-T254 HydrophobicContact CG-CG2 3.7Å; M197-T254 HydrophobicContact SD-CG2 4.48Å; I208-T254 HydrophobicContact CD1-CG2 4.04Å; D250-T254 WeakPolarHBondContact O-CB 3.21Å; D250-T254 PolarHBondContact O-N 3.11Å; D250-T254 PolarHBondContact O-OG1 3.48Å; T254-W257 HydrophobicContact CG2-CE3 4.12Å; T254-W257 HydrophobicContact CG2-CZ3 4.48Å; T254-W257 PolarHBondContact O-N 3.17Å; T254-I258 HydrophobicContact CG2-CD1 3.47Å; T254-I258 VanDerWaalsContact CG2-CD1 3.47Å; T254-I258 HydrophobicContact CG2-CG1 4.23Å; T254-I258 VanDerWaalsContact O-CG1 3.32Å; T254-I258 WeakPolarHBondContact O-CG1 3.41Å; T254-I258 PolarHBondContact O-N 3.49Å
255	R	83.1	Confident	80.8	Confident	92 Å²	92	69.7 Å²	69.7	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-45.1	174.9	-178.9	175.5	-172.2	-86.8	-1.2	111.9	D190 V193 K251 E252 E253 W257 L259	D190-R255 IonicContact OD1-NE 2.6Å; V193-R255 HydrophobicContact CG1-CB 4.18Å; V193-R255 HydrophobicContact CG2-CB 3.81Å; V193-R255 HydrophobicContact CG2-CG 3.97Å; K251-R255 VanDerWaalsContact O-CB 3.24Å; K251-R255 WeakPolarHBondContact O-CB 3.47Å; K251-R255 PolarHBondContact O-N 3.24Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 3Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-R255 PolarHBondContact O-N 3.19Å; R255-W257 VanDerWaalsContact C-N 3.26Å; R255-W257 PolarHBondContact O-N 2.72Å; R255-L259 CarbonylContact O-C 3.59Å; R255-L259 VanDerWaalsContact O-C 3.3Å; R255-L259 WeakPolarHBondContact O-CA 3.25Å; R255-L259 PolarHBondContact O-N 3.32Å
256	D	81.9	Confident	80.2	Confident	55 Å²	55	62.5 Å²	62.5	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-25.6	179.3	-73.9	-13.6	0	0	0	112.7	K243 E252 E253 P260	K243-D256 IonicContact NZ-OD2 3.26Å; K243-D256 PolarHBondContact NZ-OD2 3.11Å; E252-D256 PolarHBondContact O-N 2.65Å; E253-D256 PolarHBondContact O-N 3.05Å; D256-P260 WeakPolarHBondContact O-CA 3.26Å
257	W	77.8	Confident	79.9	Confident	64 Å²	64	60.7 Å²	60.7	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-73.2	-51.1	173.3	170.4	45.4	0	0	0	112.4	I200 Y213 R241 M249 E253 T254 R255	I200-W257 HydrophobicContact CD1-CH2 3.79Å; I200-W257 HydrophobicContact CD1-CZ3 3.73Å; Y213-W257 HydrophobicContact CD2-CH2 4.33Å; Y213-W257 HydrophobicContact CD2-CZ2 4.43Å; Y213-W257 HydrophobicContact CE2-CD2 4.47Å; Y213-W257 AromaticContact CE2-CE2 3.92Å; Y213-W257 HydrophobicContact CE2-CH2 4.03Å; Y213-W257 AromaticContact CE2-CZ2 3.69Å; Y213-W257 HydrophobicContact CE2-CZ2 3.69Å; R241-W257 VanDerWaalsContact CZ-CD1 3.49Å; M249-W257 HydrophobicContact CE-CB 3.81Å; M249-W257 HydrophobicContact CE-CD2 4.07Å; M249-W257 HydrophobicContact CE-CE3 3.83Å; M249-W257 HydrophobicContact CE-CG 4.1Å; E253-W257 WeakPolarHBondContact O-CB 3.5Å; E253-W257 PolarHBondContact O-N 3.39Å; T254-W257 HydrophobicContact CG2-CE3 4.12Å; T254-W257 HydrophobicContact CG2-CZ3 4.48Å; T254-W257 PolarHBondContact O-N 3.17Å; R255-W257 VanDerWaalsContact C-N 3.26Å; R255-W257 PolarHBondContact O-N 2.72Å
258	I	73.6	Confident	79.5	Confident	38 Å²	38	59.9 Å²	59.9	20%	0.195	30%	0.298	C	S	.	.	H	α-helix	trans	-80.9	-35.5	-174.7	-56.3	166.7	0	0	0	111.5	T196 T254	T196-I258 VanDerWaalsContact CB-CD1 3.49Å; T196-I258 HydrophobicContact CG2-CD1 3.39Å; T196-I258 HydrophobicContact CG2-CG1 4.36Å; T254-I258 HydrophobicContact CG2-CD1 3.47Å; T254-I258 VanDerWaalsContact CG2-CD1 3.47Å; T254-I258 HydrophobicContact CG2-CG1 4.23Å; T254-I258 VanDerWaalsContact O-CG1 3.32Å; T254-I258 WeakPolarHBondContact O-CG1 3.41Å; T254-I258 PolarHBondContact O-N 3.49Å
259	L	71.1	Confident	78.8	Confident	32 Å²	32	57.8 Å²	57.8	17%	0.168	29%	0.289	C	S	.	.	S	Bend	trans	-131.6	70.1	-175.6	-64.9	170.9	0	0	0	110.2	K189 V193 R255 S261	K189-L259 HydrophobicContact CB-CD1 3.61Å; K189-L259 HydrophobicContact CD-CD1 3.98Å; K189-L259 HydrophobicContact CG-CD1 3.64Å; V193-L259 HydrophobicContact CG2-CD1 4.34Å; R255-L259 CarbonylContact O-C 3.59Å; R255-L259 VanDerWaalsContact O-C 3.3Å; R255-L259 WeakPolarHBondContact O-CA 3.25Å; R255-L259 PolarHBondContact O-N 3.32Å; L259-S261 PolarHBondContact O-N 2.88Å
260	P	70.3	Confident	78.5	Confident	50 Å²	50	57.8 Å²	57.8	33%	0.325	29%	0.289	S	S	.	.			trans	-60	128.2	179	-11.9	23.6	0	0	0	109.5	D256 D262 Y263	D256-P260 WeakPolarHBondContact O-CA 3.26Å; P260-D262 PolarHBondContact O-N 2.78Å; P260-Y263 PolarHBondContact O-N 3.02Å; P260-Y263 VanDerWaalsContact O-N 3.15Å
261	S	65.2	Low	78.2	Confident	99 Å²	99	60.7 Å²	60.7	69%	0.692	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.9	-173.6	60	0	0	0	0	114.6	L259	L259-S261 PolarHBondContact O-N 2.88Å
262	D	63.9	Low	77.9	Confident	158 Å²	158	57.5 Å²	57.5	85%	0.845	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	3.7	-174	-58.7	-18.7	0	0	0	112.8	P260	P260-D262 PolarHBondContact O-N 2.78Å
263	Y	68	Low	77.6	Confident	100 Å²	100	50.2 Å²	50.2	39%	0.392	25%	0.252	S	S	.	.			trans	-98.7	112.1	-177	-167.5	-110.4	0	0	0	111.7	P260 H265 A268	P260-Y263 PolarHBondContact O-N 3.02Å; P260-Y263 VanDerWaalsContact O-N 3.15Å; Y263-H265 AromaticContact CD1-CD2 3.86Å; Y263-H265 AromaticContact CD1-CE1 3.5Å; Y263-H265 AromaticContact CD1-CG 3.86Å; Y263-H265 AromaticContact CD1-ND1 3.64Å; Y263-H265 AromaticContact CD1-NE2 3.6Å; Y263-H265 HydrophobicContact CE1-CB 4.43Å; Y263-H265 AromaticContact CE1-CD2 3.39Å; Y263-H265 WeakPolarHBondContact CE1-CD2 3.12Å; Y263-H265 AromaticContact CE1-CE1 3.84Å; Y263-H265 AromaticContact CE1-CG 3.68Å; Y263-H265 AromaticContact CE1-ND1 3.96Å; Y263-H265 AromaticContact CE1-NE2 3.47Å; Y263-H265 WeakPolarHBondContact CE1-NE2 3.22Å; Y263-A268 HydrophobicContact CE2-CB 3.89Å; Y263-A268 WeakPolarHBondContact OH-CB 3.5Å
264	D	76	Confident	77.5	Confident	46 Å²	46	50.1 Å²	50.1	25%	0.246	25%	0.252	C	S	.	.			trans	-100.5	96.4	174.5	-169.2	-21.5	0	0	0	108.3	K94 K98 A266 E267 A268	K94-D264 WeakPolarHBondContact CE-OD2 3.43Å; K94-D264 IonicContact NZ-OD2 2.71Å; K94-D264 PolarHBondContact NZ-OD2 2.86Å; K98-D264 WeakPolarHBondContact CE-OD1 3.44Å; K98-D264 VanDerWaalsContact NZ-CG 3.25Å; K98-D264 IonicContact NZ-OD1 3.88Å; K98-D264 PolarHBondContact NZ-OD1 2.9Å; K98-D264 IonicContact NZ-OD2 2.7Å; K98-D264 PolarHBondContact NZ-OD2 3.26Å; D264-A266 PolarHBondContact O-N 2.74Å; D264-A266 PolarHBondContact OD1-N 3.44Å; D264-E267 HydrophobicContact CB-CB 3.82Å; D264-E267 WeakPolarHBondContact O-CA 3.4Å; D264-E267 WeakPolarHBondContact O-CB 3.44Å; D264-E267 PolarHBondContact O-N 3.19Å; D264-A268 PolarHBondContact O-N 3.36Å
265	H	74.2	Confident	77.5	Confident	101 Å²	101	58.2 Å²	58.2	47%	0.468	28%	0.284	S	S	.	.	H	α-helix	trans	-50.2	-43.3	-178.2	-69.7	83	0	0	0	112	Y263 E267 A268 E269	Y263-H265 AromaticContact CD1-CD2 3.86Å; Y263-H265 AromaticContact CD1-CE1 3.5Å; Y263-H265 AromaticContact CD1-CG 3.86Å; Y263-H265 AromaticContact CD1-ND1 3.64Å; Y263-H265 AromaticContact CD1-NE2 3.6Å; Y263-H265 HydrophobicContact CE1-CB 4.43Å; Y263-H265 AromaticContact CE1-CD2 3.39Å; Y263-H265 WeakPolarHBondContact CE1-CD2 3.12Å; Y263-H265 AromaticContact CE1-CE1 3.84Å; Y263-H265 AromaticContact CE1-CG 3.68Å; Y263-H265 AromaticContact CE1-ND1 3.96Å; Y263-H265 AromaticContact CE1-NE2 3.47Å; Y263-H265 WeakPolarHBondContact CE1-NE2 3.22Å; H265-E267 VanDerWaalsContact C-N 3.28Å; H265-E267 PolarHBondContact O-N 3.37Å; H265-A268 PolarHBondContact O-N 3.44Å; H265-E269 WeakPolarHBondContact O-CB 3.43Å; H265-E269 PolarHBondContact O-N 3.04Å
266	A	78.6	Confident	77.5	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-28.6	178.4	0	0	0	0	0	113.1	K94 I97 K98 D264 A270	K94-A266 HydrophobicContact CG-CB 4.29Å; I97-A266 HydrophobicContact CB-CB 4.25Å; I97-A266 HydrophobicContact CG2-CB 3.81Å; K98-A266 HydrophobicContact CD-CB 4.29Å; K98-A266 HydrophobicContact CG-CB 3.58Å; D264-A266 PolarHBondContact O-N 2.74Å; D264-A266 PolarHBondContact OD1-N 3.44Å; A266-A270 WeakPolarHBondContact O-CB 3.26Å; A266-A270 PolarHBondContact O-N 2.8Å
267	E	82.9	Confident	77.6	Confident	52 Å²	52	55.5 Å²	55.5	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-75.9	-41.1	174.2	-171.9	174.3	153.4	0	0	112.2	K94 D264 H265 A270 K271	K94-E267 HydrophobicContact CD-CB 3.79Å; K94-E267 HydrophobicContact CD-CG 4.07Å; K94-E267 HydrophobicContact CG-CB 4.4Å; K94-E267 IonicContact NZ-OE2 3.04Å; K94-E267 PolarHBondContact NZ-OE2 2.73Å; D264-E267 HydrophobicContact CB-CB 3.82Å; D264-E267 WeakPolarHBondContact O-CA 3.4Å; D264-E267 WeakPolarHBondContact O-CB 3.44Å; D264-E267 PolarHBondContact O-N 3.19Å; H265-E267 VanDerWaalsContact C-N 3.28Å; H265-E267 PolarHBondContact O-N 3.37Å; E267-A270 PolarHBondContact O-N 3.01Å; E267-K271 HydrophobicContact CG-CD 4.32Å; E267-K271 WeakPolarHBondContact O-CB 3.33Å; E267-K271 VanDerWaalsContact O-CG 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.29Å; E267-K271 PolarHBondContact O-N 2.81Å; E267-K271 VanDerWaalsContact OE1-CE 3.28Å; E267-K271 WeakPolarHBondContact OE1-CE 3.47Å; E267-K271 IonicContact OE1-NZ 2.65Å; E267-K271 PolarHBondContact OE1-NZ 3.15Å
268	A	78.8	Confident	78.2	Confident	21 Å²	21	53.4 Å²	53.4	17%	0.174	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-48.2	175.8	0	0	0	0	0	110.4	Y263 D264 H265 K271 H272	Y263-A268 HydrophobicContact CE2-CB 3.89Å; Y263-A268 WeakPolarHBondContact OH-CB 3.5Å; D264-A268 PolarHBondContact O-N 3.36Å; H265-A268 PolarHBondContact O-N 3.44Å; A268-K271 PolarHBondContact O-N 3.14Å; A268-H272 WeakPolarHBondContact O-CB 3.45Å; A268-H272 PolarHBondContact O-N 2.9Å
269	E	77.4	Confident	78.7	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-46.9	176.9	-176.1	68.1	-178	0	0	111.9	H49 I97 H265 K271 H272 L273 S300 Q301	H49-E269 IonicContact CD2-OE2 3.32Å; H49-E269 IonicContact CE1-OE2 2.59Å; H49-E269 IonicContact NE2-OE2 2.82Å; H49-E269 PolarHBondContact NE2-OE2 3.42Å; I97-E269 HydrophobicContact CD1-CB 4.08Å; I97-E269 HydrophobicContact CD1-CG 3.79Å; H265-E269 WeakPolarHBondContact O-CB 3.43Å; H265-E269 PolarHBondContact O-N 3.04Å; E269-K271 VanDerWaalsContact C-N 3.3Å; E269-K271 PolarHBondContact O-N 3.02Å; E269-H272 WeakPolarHBondContact O-CB 3.45Å; E269-H272 PolarHBondContact O-N 3.04Å; E269-L273 HydrophobicContact CG-CD1 4.16Å; E269-L273 HydrophobicContact CG-CG 4.5Å; E269-L273 WeakPolarHBondContact O-CG 3.49Å; E269-L273 PolarHBondContact O-N 3.29Å; E269-S300 WeakPolarHBondContact OE1-CB 3.28Å; E269-Q301 HydrophobicContact CG-CB 4.14Å; E269-Q301 HydrophobicContact CG-CG 4.31Å
270	A	84.6	Confident	79.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-41.6	176.9	0	0	0	0	0	112.4	V90 M93 K94 I97 A266 E267 V274	V90-A270 HydrophobicContact CG1-CB 4.1Å; M93-A270 HydrophobicContact CB-CB 3.93Å; M93-A270 HydrophobicContact CG-CB 3.89Å; K94-A270 HydrophobicContact CB-CB 3.86Å; I97-A270 HydrophobicContact CD1-CB 4.08Å; A266-A270 WeakPolarHBondContact O-CB 3.26Å; A266-A270 PolarHBondContact O-N 2.8Å; E267-A270 PolarHBondContact O-N 3.01Å; A270-V274 VanDerWaalsContact O-CG2 3.3Å; A270-V274 WeakPolarHBondContact O-CG2 3.45Å; A270-V274 PolarHBondContact O-N 2.81Å
271	K	84.7	Confident	80.6	Confident	103 Å²	103	64 Å²	64	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-41.9	176.6	-76.6	174.1	-174.6	164.5	0	111.6	V90 E267 A268 E269 V274 Y275	V90-K271 HydrophobicContact CG1-CG 3.67Å; E267-K271 HydrophobicContact CG-CD 4.32Å; E267-K271 WeakPolarHBondContact O-CB 3.33Å; E267-K271 VanDerWaalsContact O-CG 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.29Å; E267-K271 PolarHBondContact O-N 2.81Å; E267-K271 VanDerWaalsContact OE1-CE 3.28Å; E267-K271 WeakPolarHBondContact OE1-CE 3.47Å; E267-K271 IonicContact OE1-NZ 2.65Å; E267-K271 PolarHBondContact OE1-NZ 3.15Å; A268-K271 PolarHBondContact O-N 3.14Å; E269-K271 VanDerWaalsContact C-N 3.3Å; E269-K271 PolarHBondContact O-N 3.02Å; K271-V274 PolarHBondContact O-N 2.89Å; K271-Y275 WeakPolarHBondContact O-CB 3.3Å; K271-Y275 PolarHBondContact O-N 2.95Å
272	H	82.2	Confident	81.7	Confident	23 Å²	23	63 Å²	63	11%	0.106	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-51	176.9	177.8	-117.7	0	0	0	111.1	F45 D46 A268 E269 V274 Y275 E276	F45-H272 AromaticContact CD2-CD2 3.96Å; D46-H272 IonicContact OD1-CE1 2.74Å; A268-H272 WeakPolarHBondContact O-CB 3.45Å; A268-H272 PolarHBondContact O-N 2.9Å; E269-H272 WeakPolarHBondContact O-CB 3.45Å; E269-H272 PolarHBondContact O-N 3.04Å; H272-V274 VanDerWaalsContact C-N 3.32Å; H272-V274 PolarHBondContact O-N 3.16Å; H272-Y275 PolarHBondContact O-N 3.22Å; H272-Y275 VanDerWaalsContact O-N 3.17Å; H272-E276 WeakPolarHBondContact O-CB 3.31Å; H272-E276 PolarHBondContact O-N 3.48Å
273	L	83.9	Confident	82.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-42.6	178.5	-70.6	174.2	0	0	0	112.8	M93 I97 E269 S277 L296 F297 A302	M93-L273 HydrophobicContact CG-CD1 4.24Å; M93-L273 HydrophobicContact SD-CD1 4.21Å; I97-L273 HydrophobicContact CD1-CD1 4.19Å; E269-L273 HydrophobicContact CG-CD1 4.16Å; E269-L273 HydrophobicContact CG-CG 4.5Å; E269-L273 WeakPolarHBondContact O-CG 3.49Å; E269-L273 PolarHBondContact O-N 3.29Å; L273-S277 WeakPolarHBondContact O-CB 3.38Å; L273-S277 PolarHBondContact O-N 3.17Å; L273-S277 PolarHBondContact O-OG 2.51Å; L273-L296 HydrophobicContact CD2-CD2 4.11Å; L273-L296 HydrophobicContact CD2-CG 3.87Å; L273-F297 HydrophobicContact CB-CE1 4.06Å; L273-F297 HydrophobicContact CB-CZ 4.06Å; L273-F297 HydrophobicContact CD1-CD1 4.39Å; L273-F297 HydrophobicContact CD1-CE1 4.02Å; L273-F297 HydrophobicContact CD2-CD1 4.24Å; L273-F297 HydrophobicContact CD2-CE1 4.1Å; L273-F297 HydrophobicContact CD2-CZ 4.37Å; L273-F297 HydrophobicContact CG-CE1 4.3Å; L273-A302 HydrophobicContact CD1-CB 3.83Å
274	V	85.9	Confident	83.9	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-48.4	175.5	174.2	0	0	0	0	110.8	V90 A270 K271 H272 E276 S277 D278 L285	V90-V274 HydrophobicContact CG2-CB 3.88Å; V90-V274 HydrophobicContact CG2-CG1 3.94Å; V90-V274 HydrophobicContact CG2-CG2 3.76Å; A270-V274 VanDerWaalsContact O-CG2 3.3Å; A270-V274 WeakPolarHBondContact O-CG2 3.45Å; A270-V274 PolarHBondContact O-N 2.81Å; K271-V274 PolarHBondContact O-N 2.89Å; H272-V274 VanDerWaalsContact C-N 3.32Å; H272-V274 PolarHBondContact O-N 3.16Å; V274-E276 PolarHBondContact O-N 2.88Å; V274-S277 PolarHBondContact O-N 3.33Å; V274-D278 HydrophobicContact CG1-CB 4.41Å; V274-D278 WeakPolarHBondContact O-CB 3.48Å; V274-D278 PolarHBondContact O-N 3.49Å; V274-L285 HydrophobicContact CB-CG 4.44Å; V274-L285 HydrophobicContact CG1-CD2 4.42Å; V274-L285 HydrophobicContact CG1-CG 4.32Å; V274-L285 HydrophobicContact CG2-CD1 4.03Å; V274-L285 HydrophobicContact CG2-CG 4.12Å
275	Y	84.2	Confident	84.6	Confident	171 Å²	171	55.4 Å²	55.4	67%	0.671	28%	0.284	S	S	*	.	H	α-helix	trans	-60.9	-41.7	-177.1	178.8	-98.8	0	0	0	113.5	K271 H272 S277	K271-Y275 WeakPolarHBondContact O-CB 3.3Å; K271-Y275 PolarHBondContact O-N 2.95Å; H272-Y275 PolarHBondContact O-N 3.22Å; H272-Y275 VanDerWaalsContact O-N 3.17Å; Y275-S277 VanDerWaalsContact C-N 3.32Å
276	E	82.3	Confident	85.5	Confident	83 Å²	83	52.1 Å²	52.1	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-76.8	-19.3	-179.5	-76.2	-58.7	133.5	0	0	113.6	H272 V274 K293 L296	H272-E276 WeakPolarHBondContact O-CB 3.31Å; H272-E276 PolarHBondContact O-N 3.48Å; V274-E276 PolarHBondContact O-N 2.88Å; E276-K293 PolarHBondContact O-NZ 2.92Å; E276-L296 HydrophobicContact CB-CD2 3.53Å; E276-L296 HydrophobicContact CG-CD2 4.42Å
277	S	85.1	Confident	86.1	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-107.4	-22.2	-174.2	-50.2	0	0	0	0	114.4	L273 V274 Y275 G279 L285 F297	L273-S277 WeakPolarHBondContact O-CB 3.38Å; L273-S277 PolarHBondContact O-N 3.17Å; L273-S277 PolarHBondContact O-OG 2.51Å; V274-S277 PolarHBondContact O-N 3.33Å; Y275-S277 VanDerWaalsContact C-N 3.32Å; S277-G279 PolarHBondContact O-N 3.25Å; S277-G279 VanDerWaalsContact O-N 3.09Å; S277-L285 VanDerWaalsContact C-CD2 3.49Å; S277-F297 VanDerWaalsContact OG-CE2 3.26Å; S277-F297 WeakPolarHBondContact OG-CE2 3.34Å
278	D	88.5	Confident	86.4	Confident	21 Å²	21	59 Å²	59	11%	0.112	30%	0.301	C	S	.	.			trans	-72.4	99	-179.1	179.2	1.5	0	0	0	110.3	V274 D280 K281 D282 G283 L285	V274-D278 HydrophobicContact CG1-CB 4.41Å; V274-D278 WeakPolarHBondContact O-CB 3.48Å; V274-D278 PolarHBondContact O-N 3.49Å; D278-D280 PolarHBondContact OD1-N 3.23Å; D278-K281 VanDerWaalsContact CG-CA 3.47Å; D278-K281 WeakPolarHBondContact OD1-CA 3.1Å; D278-K281 PolarHBondContact OD1-N 2.84Å; D278-K281 VanDerWaalsContact OD2-CA 3.23Å; D278-K281 WeakPolarHBondContact OD2-CA 3.41Å; D278-D282 PolarHBondContact OD1-N 3.4Å; D278-D282 PolarHBondContact OD2-N 3.49Å; D278-G283 VanDerWaalsContact OD2-CA 3.31Å; D278-G283 WeakPolarHBondContact OD2-CA 3.31Å; D278-G283 PolarHBondContact OD2-N 3.05Å; D278-L285 HydrophobicContact CB-CD2 3.75Å; D278-L285 VanDerWaalsContact N-CD2 3.3Å
279	G	85.9	Confident	87	Confident	65 Å²	65	59.3 Å²	59.3	67%	0.67	30%	0.299	S	S	*	.	S	Bend	trans	-79.1	-32.2	-173.3	0	0	0	0	0	112.8	S277 E289	S277-G279 PolarHBondContact O-N 3.25Å; S277-G279 VanDerWaalsContact O-N 3.09Å; G279-E289 PolarHBondContact N-OE1 3.36Å
280	D	89.8	Confident	87.3	Confident	106 Å²	106	59 Å²	59	57%	0.567	30%	0.297	S	S	*	.	S	Bend	trans	-99	-5.9	-177.2	77.9	5.2	0	0	0	114.2	D278 D282	D278-D280 PolarHBondContact OD1-N 3.23Å; D280-D282 VanDerWaalsContact C-N 3.35Å; D280-D282 VanDerWaalsContact OD1-CB 3.28Å; D280-D282 WeakPolarHBondContact OD1-CB 3.43Å; D280-D282 VanDerWaalsContact OD1-CG 3.29Å; D280-D282 PolarHBondContact OD1-N 3.21Å; D280-D282 VanDerWaalsContact OD1-N 3.12Å
281	K	89.8	Confident	87.4	Confident	172 Å²	172	60.1 Å²	60.1	75%	0.748	30%	0.304	S	S	*	.			trans	65.3	33.7	176	-55.4	-169.6	176.9	-161.4	0	113.2	D278 G283	D278-K281 VanDerWaalsContact CG-CA 3.47Å; D278-K281 WeakPolarHBondContact OD1-CA 3.1Å; D278-K281 PolarHBondContact OD1-N 2.84Å; D278-K281 VanDerWaalsContact OD2-CA 3.23Å; D278-K281 WeakPolarHBondContact OD2-CA 3.41Å; K281-G283 VanDerWaalsContact C-N 3.31Å
282	D	89.1	Confident	87.4	Confident	77 Å²	77	60.7 Å²	60.7	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	-83.9	-7	177.5	85.9	-1	0	0	0	113.8	D278 D280 R284	D278-D282 PolarHBondContact OD1-N 3.4Å; D278-D282 PolarHBondContact OD2-N 3.49Å; D280-D282 VanDerWaalsContact C-N 3.35Å; D280-D282 VanDerWaalsContact OD1-CB 3.28Å; D280-D282 WeakPolarHBondContact OD1-CB 3.43Å; D280-D282 VanDerWaalsContact OD1-CG 3.29Å; D280-D282 PolarHBondContact OD1-N 3.21Å; D280-D282 VanDerWaalsContact OD1-N 3.12Å; D282-R284 WeakPolarHBondContact OD1-CA 3.36Å; D282-R284 WeakPolarHBondContact OD1-CB 3.21Å; D282-R284 PolarHBondContact OD1-N 3Å; D282-R284 VanDerWaalsContact OD1-O 3.08Å
283	G	86.6	Confident	87.5	Confident	39 Å²	39	63.9 Å²	63.9	40%	0.402	33%	0.326	S	S	.	.	S	Bend	trans	83.5	13.4	178.6	0	0	0	0	0	114.2	D278 K281	D278-G283 VanDerWaalsContact OD2-CA 3.31Å; D278-G283 WeakPolarHBondContact OD2-CA 3.31Å; D278-G283 PolarHBondContact OD2-N 3.05Å; K281-G283 VanDerWaalsContact C-N 3.31Å
284	R	91.6	Very high	87.2	Confident	106 Å²	106	65.9 Å²	65.9	40%	0.4	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	165.7	177.1	-45.7	-177.4	-170.9	-159	-2.6	108.8	D85 F87 V88 T89 D282	D85-R284 IonicContact OD2-NH1 3.4Å; D85-R284 PolarHBondContact OD2-NH1 2.74Å; F87-R284 HydrophobicContact CB-CB 4.1Å; F87-R284 HydrophobicContact CD1-CB 4.36Å; V88-R284 WeakPolarHBondContact O-CA 3.46Å; T89-R284 HydrophobicContact CG2-CG 4.2Å; D282-R284 WeakPolarHBondContact OD1-CA 3.36Å; D282-R284 WeakPolarHBondContact OD1-CB 3.21Å; D282-R284 PolarHBondContact OD1-N 3Å; D282-R284 VanDerWaalsContact OD1-O 3.08Å
285	L	91.6	Very high	86.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.7	178	-60	-179.3	0	0	0	111.4	F87 V88 M93 V274 S277 D278 E289 I290 F297	F87-L285 CarbonylContact C-O 3.52Å; F87-L285 WeakPolarHBondContact CA-O 3.37Å; V88-L285 HydrophobicContact CB-CB 4.4Å; V88-L285 PolarHBondContact N-O 3.18Å; V88-L285 PolarHBondContact O-N 2.84Å; M93-L285 HydrophobicContact CE-CD1 4.31Å; V274-L285 HydrophobicContact CB-CG 4.44Å; V274-L285 HydrophobicContact CG1-CD2 4.42Å; V274-L285 HydrophobicContact CG1-CG 4.32Å; V274-L285 HydrophobicContact CG2-CD1 4.03Å; V274-L285 HydrophobicContact CG2-CG 4.12Å; S277-L285 VanDerWaalsContact C-CD2 3.49Å; D278-L285 HydrophobicContact CB-CD2 3.75Å; D278-L285 VanDerWaalsContact N-CD2 3.3Å; L285-E289 HydrophobicContact CD2-CB 4.45Å; L285-I290 HydrophobicContact CB-CD1 3.86Å; L285-I290 HydrophobicContact CB-CG1 3.75Å; L285-I290 HydrophobicContact CD1-CD1 4.09Å; L285-I290 HydrophobicContact CD1-CG1 3.65Å; L285-I290 HydrophobicContact CG-CG1 4.35Å; L285-F297 HydrophobicContact CD1-CE2 4.4Å; L285-F297 HydrophobicContact CD1-CZ 3.71Å
286	T	92.8	Very high	86.3	Confident	32 Å²	32	63.4 Å²	63.4	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	160.7	164.5	59.4	0	0	0	0	111	F87 E288 E289 I290	F87-T286 HydrophobicContact CD1-CG2 3.9Å; F87-T286 HydrophobicContact CE1-CG2 3.71Å; T286-E288 PolarHBondContact O-N 3.28Å; T286-E289 WeakPolarHBondContact CB-OE2 3.37Å; T286-E289 PolarHBondContact N-OE2 2.74Å; T286-E289 PolarHBondContact O-N 2.94Å; T286-E289 VanDerWaalsContact OG1-CG 3.28Å; T286-E289 WeakPolarHBondContact OG1-CG 3.47Å; T286-E289 PolarHBondContact OG1-N 3.22Å; T286-E289 PolarHBondContact OG1-OE2 3.11Å; T286-I290 PolarHBondContact O-N 3.43Å; T286-I290 VanDerWaalsContact O-N 3.16Å
287	K	89.8	Confident	85.8	Confident	72 Å²	72	59.5 Å²	59.5	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-55.9	-39.9	173.5	178.7	167.9	173.4	150.2	0	111.5	G74 V77 E78 V291	G74-K287 VanDerWaalsContact O-CE 3.25Å; G74-K287 WeakPolarHBondContact O-CE 3.41Å; G74-K287 PolarHBondContact O-NZ 3.49Å; V77-K287 HydrophobicContact CB-CG 4.41Å; V77-K287 HydrophobicContact CG1-CB 3.99Å; V77-K287 HydrophobicContact CG1-CG 4.27Å; E78-K287 IonicContact OE1-NZ 3.75Å; E78-K287 PolarHBondContact OE1-NZ 2.67Å; K287-V291 HydrophobicContact CG-CG2 4.33Å; K287-V291 WeakPolarHBondContact O-CB 3.35Å; K287-V291 WeakPolarHBondContact O-CG2 3.35Å; K287-V291 PolarHBondContact O-N 3.42Å
288	E	90.7	Very high	85	Confident	129 Å²	129	59.7 Å²	59.7	60%	0.603	31%	0.314	S	S	*	.	H	α-helix	trans	-62.7	-44.3	178	-69.1	73.3	-163.3	0	0	111.9	T286 I290 V291 D292	T286-E288 PolarHBondContact O-N 3.28Å; E288-I290 PolarHBondContact O-N 3.28Å; E288-V291 PolarHBondContact O-N 2.9Å; E288-D292 VanDerWaalsContact O-CB 3.28Å; E288-D292 WeakPolarHBondContact O-CB 3.27Å; E288-D292 PolarHBondContact O-N 3.48Å
289	E	89.6	Confident	83.9	Confident	27 Å²	27	61 Å²	61	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-42.9	178.6	-75.5	166.2	134.6	0	0	112.6	G279 L285 T286 D292 K293	G279-E289 PolarHBondContact N-OE1 3.36Å; L285-E289 HydrophobicContact CD2-CB 4.45Å; T286-E289 WeakPolarHBondContact CB-OE2 3.37Å; T286-E289 PolarHBondContact N-OE2 2.74Å; T286-E289 PolarHBondContact O-N 2.94Å; T286-E289 VanDerWaalsContact OG1-CG 3.28Å; T286-E289 WeakPolarHBondContact OG1-CG 3.47Å; T286-E289 PolarHBondContact OG1-N 3.22Å; T286-E289 PolarHBondContact OG1-OE2 3.11Å; E289-D292 PolarHBondContact O-N 3.21Å; E289-K293 WeakPolarHBondContact O-CB 3.36Å; E289-K293 PolarHBondContact O-N 3.24Å; E289-K293 VanDerWaalsContact O-N 3.09Å
290	I	84.4	Confident	82.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-45.8	176.6	-65.7	172	0	0	0	110.6	L73 V77 V88 M93 L285 T286 E288 K293 Y294 F297	L73-I290 HydrophobicContact CD1-CG2 3.98Å; L73-I290 HydrophobicContact CD2-CG2 3.81Å; L73-I290 WeakPolarHBondContact CD2-O 3.45Å; L73-I290 HydrophobicContact CG-CG2 3.76Å; V77-I290 HydrophobicContact CG1-CD1 4.28Å; V77-I290 HydrophobicContact CG2-CB 3.94Å; V77-I290 HydrophobicContact CG2-CD1 3.62Å; V77-I290 HydrophobicContact CG2-CG1 4.36Å; V77-I290 HydrophobicContact CG2-CG2 3.67Å; V88-I290 HydrophobicContact CB-CD1 4.02Å; V88-I290 HydrophobicContact CG1-CD1 4.47Å; V88-I290 HydrophobicContact CG2-CD1 3.88Å; M93-I290 HydrophobicContact CE-CD1 4.43Å; L285-I290 HydrophobicContact CB-CD1 3.86Å; L285-I290 HydrophobicContact CB-CG1 3.75Å; L285-I290 HydrophobicContact CD1-CD1 4.09Å; L285-I290 HydrophobicContact CD1-CG1 3.65Å; L285-I290 HydrophobicContact CG-CG1 4.35Å; T286-I290 PolarHBondContact O-N 3.43Å; T286-I290 VanDerWaalsContact O-N 3.16Å; E288-I290 PolarHBondContact O-N 3.28Å; I290-K293 CarbonylContact O-C 3.6Å; I290-K293 VanDerWaalsContact O-C 3.31Å; I290-K293 PolarHBondContact O-N 2.79Å; I290-Y294 PolarHBondContact O-N 3.34Å; I290-F297 HydrophobicContact CB-CE2 4.15Å; I290-F297 HydrophobicContact CB-CZ 4.39Å; I290-F297 HydrophobicContact CG1-CE2 4.09Å; I290-F297 HydrophobicContact CG1-CZ 3.92Å; I290-F297 HydrophobicContact CG2-CD1 4.14Å; I290-F297 HydrophobicContact CG2-CD2 3.84Å; I290-F297 HydrophobicContact CG2-CE1 4.17Å; I290-F297 HydrophobicContact CG2-CE2 3.85Å; I290-F297 HydrophobicContact CG2-CG 3.99Å; I290-F297 HydrophobicContact CG2-CZ 4.03Å
291	V	86.3	Confident	81.6	Confident	25 Å²	25	55.3 Å²	55.3	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-32.5	-178.7	171.7	0	0	0	0	112.3	K70 K287 E288 K293 Y294	K70-V291 HydrophobicContact CB-CG1 3.68Å; K70-V291 HydrophobicContact CD-CG1 3.95Å; K70-V291 WeakPolarHBondContact CE-O 3.5Å; K70-V291 HydrophobicContact CG-CG1 3.71Å; K287-V291 HydrophobicContact CG-CG2 4.33Å; K287-V291 WeakPolarHBondContact O-CB 3.35Å; K287-V291 WeakPolarHBondContact O-CG2 3.35Å; K287-V291 PolarHBondContact O-N 3.42Å; E288-V291 PolarHBondContact O-N 2.9Å; V291-K293 VanDerWaalsContact C-N 3.3Å; V291-Y294 WeakPolarHBondContact O-CB 3.47Å; V291-Y294 PolarHBondContact O-N 3.27Å
292	D	86.3	Confident	80.1	Confident	114 Å²	114	47.1 Å²	47.1	61%	0.61	25%	0.25	S	C	*	.	H	α-helix	trans	-70	-31.7	174.6	-81.2	-13.9	0	0	0	111.5	E288 E289 Y294	E288-D292 VanDerWaalsContact O-CB 3.28Å; E288-D292 WeakPolarHBondContact O-CB 3.27Å; E288-D292 PolarHBondContact O-N 3.48Å; E289-D292 PolarHBondContact O-N 3.21Å; D292-Y294 VanDerWaalsContact C-N 3.32Å; D292-Y294 PolarHBondContact O-N 2.9Å
293	K	83.2	Confident	78.8	Confident	91 Å²	91	43.4 Å²	43.4	40%	0.396	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	30.5	174.5	-66.3	-75.5	-174.4	131.4	0	113.3	E276 E289 I290 V291 D295 L296 F297	E276-K293 PolarHBondContact O-NZ 2.92Å; E289-K293 WeakPolarHBondContact O-CB 3.36Å; E289-K293 PolarHBondContact O-N 3.24Å; E289-K293 VanDerWaalsContact O-N 3.09Å; I290-K293 CarbonylContact O-C 3.6Å; I290-K293 VanDerWaalsContact O-C 3.31Å; I290-K293 PolarHBondContact O-N 2.79Å; V291-K293 VanDerWaalsContact C-N 3.3Å; K293-D295 VanDerWaalsContact C-N 3.25Å; K293-D295 PolarHBondContact O-N 3.03Å; K293-D295 VanDerWaalsContact O-N 3.13Å; K293-L296 WeakPolarHBondContact O-CB 3.12Å; K293-L296 PolarHBondContact O-N 3.3Å; K293-F297 HydrophobicContact CB-CD2 4.32Å; K293-F297 HydrophobicContact CB-CE2 4.36Å; K293-F297 PolarHBondContact O-N 3.31Å
294	Y	78.4	Confident	77.5	Confident	42 Å²	42	42.5 Å²	42.5	17%	0.165	22%	0.216	C	C	.	.	H	α-helix	trans	-53.5	-38	-176	80.7	-75.6	0	0	0	113.9	P66 K70 I290 V291 D292 L296 F297 V298	P66-Y294 HydrophobicContact CB-CE2 4.21Å; K70-Y294 HydrophobicContact CD-CD1 4.41Å; K70-Y294 HydrophobicContact CG-CD1 4.26Å; K70-Y294 HydrophobicContact CG-CG 4.02Å; I290-Y294 PolarHBondContact O-N 3.34Å; V291-Y294 WeakPolarHBondContact O-CB 3.47Å; V291-Y294 PolarHBondContact O-N 3.27Å; D292-Y294 VanDerWaalsContact C-N 3.32Å; D292-Y294 PolarHBondContact O-N 2.9Å; Y294-L296 VanDerWaalsContact C-N 3.26Å; Y294-L296 PolarHBondContact O-N 2.89Å; Y294-F297 PolarHBondContact O-N 3.03Å; Y294-V298 HydrophobicContact CD2-CG2 4.21Å; Y294-V298 WeakPolarHBondContact O-CB 3.01Å; Y294-V298 WeakPolarHBondContact O-CG2 3.49Å; Y294-V298 PolarHBondContact O-N 3.14Å
295	D	72.8	Confident	75.9	Confident	86 Å²	86	39.5 Å²	39.5	46%	0.46	21%	0.206	S	C	.	.	H	α-helix	trans	-58.8	-37.5	179.9	-65.8	-54.5	0	0	0	112.2	K293	K293-D295 VanDerWaalsContact C-N 3.25Å; K293-D295 PolarHBondContact O-N 3.03Å; K293-D295 VanDerWaalsContact O-N 3.13Å
296	L	77.3	Confident	74	Confident	39 Å²	39	39.7 Å²	39.7	20%	0.204	21%	0.208	C	C	.	.	H	α-helix	trans	-70.9	-46.3	177.4	178.7	67.7	0	0	0	110.9	L273 E276 K293 Y294	L273-L296 HydrophobicContact CD2-CD2 4.11Å; L273-L296 HydrophobicContact CD2-CG 3.87Å; E276-L296 HydrophobicContact CB-CD2 3.53Å; E276-L296 HydrophobicContact CG-CD2 4.42Å; K293-L296 WeakPolarHBondContact O-CB 3.12Å; K293-L296 PolarHBondContact O-N 3.3Å; Y294-L296 VanDerWaalsContact C-N 3.26Å; Y294-L296 PolarHBondContact O-N 2.89Å
297	F	71.8	Confident	72.4	Confident	1 Å²	1	41 Å²	41	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-38.8	-177.7	-82.1	-84	0	0	0	112.9	L73 M93 L273 S277 L285 I290 K293 Y294 G299 S300 A302 T303	L73-F297 HydrophobicContact CD1-CB 3.88Å; L73-F297 HydrophobicContact CD1-CG 4.34Å; L73-F297 HydrophobicContact CD2-CB 3.82Å; L73-F297 HydrophobicContact CD2-CG 4.33Å; M93-F297 HydrophobicContact CE-CE1 3.44Å; M93-F297 VanDerWaalsContact CE-CE1 3.44Å; M93-F297 HydrophobicContact CE-CZ 3.95Å; M93-F297 HydrophobicContact SD-CE1 4.14Å; L273-F297 HydrophobicContact CB-CE1 4.06Å; L273-F297 HydrophobicContact CB-CZ 4.06Å; L273-F297 HydrophobicContact CD1-CD1 4.39Å; L273-F297 HydrophobicContact CD1-CE1 4.02Å; L273-F297 HydrophobicContact CD2-CD1 4.24Å; L273-F297 HydrophobicContact CD2-CE1 4.1Å; L273-F297 HydrophobicContact CD2-CZ 4.37Å; L273-F297 HydrophobicContact CG-CE1 4.3Å; S277-F297 VanDerWaalsContact OG-CE2 3.26Å; S277-F297 WeakPolarHBondContact OG-CE2 3.34Å; L285-F297 HydrophobicContact CD1-CE2 4.4Å; L285-F297 HydrophobicContact CD1-CZ 3.71Å; I290-F297 HydrophobicContact CB-CE2 4.15Å; I290-F297 HydrophobicContact CB-CZ 4.39Å; I290-F297 HydrophobicContact CG1-CE2 4.09Å; I290-F297 HydrophobicContact CG1-CZ 3.92Å; I290-F297 HydrophobicContact CG2-CD1 4.14Å; I290-F297 HydrophobicContact CG2-CD2 3.84Å; I290-F297 HydrophobicContact CG2-CE1 4.17Å; I290-F297 HydrophobicContact CG2-CE2 3.85Å; I290-F297 HydrophobicContact CG2-CG 3.99Å; I290-F297 HydrophobicContact CG2-CZ 4.03Å; K293-F297 HydrophobicContact CB-CD2 4.32Å; K293-F297 HydrophobicContact CB-CE2 4.36Å; K293-F297 PolarHBondContact O-N 3.31Å; Y294-F297 PolarHBondContact O-N 3.03Å; F297-G299 VanDerWaalsContact C-N 3.27Å; F297-G299 PolarHBondContact O-N 3.07Å; F297-S300 WeakPolarHBondContact O-CB 3.34Å; F297-S300 PolarHBondContact O-N 2.96Å; F297-S300 VanDerWaalsContact O-N 3.1Å; F297-S300 PolarHBondContact O-OG 3.2Å; F297-A302 HydrophobicContact CD1-CB 4.49Å; F297-T303 WeakPolarHBondContact O-CG2 3.18Å; F297-T303 PolarHBondContact O-OG1 2.9Å
298	V	69.8	Low	70.7	Confident	10 Å²	10	37.7 Å²	37.7	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-37.2	-177.8	170.4	0	0	0	0	111.6	F61 Y294 T303 F305 G306 L309	F61-V298 HydrophobicContact CD2-CG1 4.14Å; Y294-V298 HydrophobicContact CD2-CG2 4.21Å; Y294-V298 WeakPolarHBondContact O-CB 3.01Å; Y294-V298 WeakPolarHBondContact O-CG2 3.49Å; Y294-V298 PolarHBondContact O-N 3.14Å; V298-T303 PolarHBondContact O-OG1 3.49Å; V298-F305 CarbonylContact O-C 3.24Å; V298-F305 VanDerWaalsContact O-C 3.24Å; V298-G306 VanDerWaalsContact O-CA 3.22Å; V298-G306 WeakPolarHBondContact O-CA 3.36Å; V298-G306 PolarHBondContact O-N 3.12Å; V298-L309 HydrophobicContact CB-CD1 4.21Å; V298-L309 HydrophobicContact CG1-CD1 4.22Å; V298-L309 HydrophobicContact CG2-CD1 3.55Å
299	G	63.8	Low	68.9	Low	47 Å²	47	31.7 Å²	31.7	49%	0.485	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.7	177.8	0	0	0	0	0	115	F297 F305	F297-G299 VanDerWaalsContact C-N 3.27Å; F297-G299 PolarHBondContact O-N 3.07Å; G299-F305 VanDerWaalsContact O-CD1 3.22Å; G299-F305 WeakPolarHBondContact O-CD1 3.48Å
300	S	65.6	Low	67.1	Low	4 Å²	4	32.2 Å²	32.2	3%	0.028	18%	0.175	C	C	.	.	S	Bend	trans	-93.9	167.5	-173.4	73.7	0	0	0	0	113.1	E269 F297 A302 T303 D304 F305	E269-S300 WeakPolarHBondContact OE1-CB 3.28Å; F297-S300 WeakPolarHBondContact O-CB 3.34Å; F297-S300 PolarHBondContact O-N 2.96Å; F297-S300 VanDerWaalsContact O-N 3.1Å; F297-S300 PolarHBondContact O-OG 3.2Å; S300-A302 PolarHBondContact O-N 3.23Å; S300-A302 WeakPolarHBondContact OG-CB 3.29Å; S300-A302 PolarHBondContact OG-N 3.31Å; S300-T303 PolarHBondContact O-N 3.09Å; S300-T303 PolarHBondContact O-OG1 2.86Å; S300-T303 VanDerWaalsContact O-OG1 3.12Å; S300-D304 PolarHBondContact O-N 2.93Å; S300-F305 PolarHBondContact O-N 2.84Å
301	Q	61.7	Low	65.8	Low	48 Å²	48	34.2 Å²	34.2	22%	0.224	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.1	171.1	-60.1	-174.9	-23.8	0	0	112.6	I97 E269 T303 D304 F305	I97-Q301 HydrophobicContact CG2-CB 3.88Å; E269-Q301 HydrophobicContact CG-CB 4.14Å; E269-Q301 HydrophobicContact CG-CG 4.31Å; Q301-T303 PolarHBondContact O-N 2.85Å; Q301-D304 PolarHBondContact O-N 3.36Å; Q301-F305 HydrophobicContact CG-CE1 4.31Å; Q301-F305 HydrophobicContact CG-CE2 4.33Å; Q301-F305 HydrophobicContact CG-CZ 3.67Å
302	A	59.4	Low	64.1	Low	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-67	-22.4	178.1	0	0	0	0	0	112.8	M93 W96 I97 L273 F297 S300	M93-A302 HydrophobicContact SD-CB 4.03Å; W96-A302 PolarHBondContact NE1-O 3.44Å; I97-A302 HydrophobicContact CG1-CB 3.97Å; L273-A302 HydrophobicContact CD1-CB 3.83Å; F297-A302 HydrophobicContact CD1-CB 4.49Å; S300-A302 PolarHBondContact O-N 3.23Å; S300-A302 WeakPolarHBondContact OG-CB 3.29Å; S300-A302 PolarHBondContact OG-N 3.31Å
303	T	61	Low	62.2	Low	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-114.8	15.1	177	58.6	0	0	0	0	112.3	L73 L76 F297 V298 S300 Q301 F305 G306 E307 A308 L309	L73-T303 HydrophobicContact CD1-CG2 4.34Å; L76-T303 HydrophobicContact CD2-CG2 3.89Å; F297-T303 WeakPolarHBondContact O-CG2 3.18Å; F297-T303 PolarHBondContact O-OG1 2.9Å; V298-T303 PolarHBondContact O-OG1 3.49Å; S300-T303 PolarHBondContact O-N 3.09Å; S300-T303 PolarHBondContact O-OG1 2.86Å; S300-T303 VanDerWaalsContact O-OG1 3.12Å; Q301-T303 PolarHBondContact O-N 2.85Å; T303-F305 PolarHBondContact O-N 3.26Å; T303-G306 CarbonylContact O-C 3.49Å; T303-G306 WeakPolarHBondContact O-CA 3.38Å; T303-G306 PolarHBondContact O-N 3.45Å; T303-G306 PolarHBondContact OG1-N 3Å; T303-G306 VanDerWaalsContact OG1-N 3.16Å; T303-E307 PolarHBondContact O-N 3.28Å; T303-A308 WeakPolarHBondContact O-CB 3.35Å; T303-A308 PolarHBondContact O-N 2.88Å; T303-L309 HydrophobicContact CG2-CD1 4.14Å; T303-L309 HydrophobicContact CG2-CD2 4.39Å; T303-L309 HydrophobicContact CG2-CG 4.13Å
304	D	60.2	Low	60.4	Low	20 Å²	20	37.3 Å²	37.3	11%	0.107	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	46.1	-174.8	-166.8	26.7	0	0	0	110.6	S300 Q301 G306 E307 A308 R311	S300-D304 PolarHBondContact O-N 2.93Å; Q301-D304 PolarHBondContact O-N 3.36Å; D304-G306 PolarHBondContact O-N 3.32Å; D304-G306 VanDerWaalsContact O-N 3.12Å; D304-E307 HydrophobicContact CB-CB 4.35Å; D304-E307 WeakPolarHBondContact O-CB 3.3Å; D304-E307 PolarHBondContact O-N 3.48Å; D304-A308 HydrophobicContact CB-CB 4.25Å; D304-R311 IonicContact OD2-CZ 2.74Å; D304-R311 IonicContact OD2-NH1 3.44Å; D304-R311 IonicContact OD2-NH2 3.35Å
305	F	57.3	Low	58.8	Low	42 Å²	42	39.4 Å²	39.4	18%	0.184	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	34.8	-175.2	-51.5	-80.6	0	0	0	113.3	L53 T60 V298 G299 S300 Q301 T303 E307	L53-F305 HydrophobicContact CD1-CD1 4.4Å; L53-F305 HydrophobicContact CD1-CE1 3.54Å; L53-F305 HydrophobicContact CD1-CE2 3.66Å; L53-F305 HydrophobicContact CD1-CZ 3.1Å; T60-F305 PolarHBondContact OG1-O 2.71Å; V298-F305 CarbonylContact O-C 3.24Å; V298-F305 VanDerWaalsContact O-C 3.24Å; G299-F305 VanDerWaalsContact O-CD1 3.22Å; G299-F305 WeakPolarHBondContact O-CD1 3.48Å; S300-F305 PolarHBondContact O-N 2.84Å; Q301-F305 HydrophobicContact CG-CE1 4.31Å; Q301-F305 HydrophobicContact CG-CE2 4.33Å; Q301-F305 HydrophobicContact CG-CZ 3.67Å; T303-F305 PolarHBondContact O-N 3.26Å; F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 2.97Å
306	G	52.8	Low	58.1	Low	5 Å²	5	37.1 Å²	37.1	5%	0.052	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-7.5	177.1	0	0	0	0	0	113.8	V298 T303 D304 A308 L309	V298-G306 VanDerWaalsContact O-CA 3.22Å; V298-G306 WeakPolarHBondContact O-CA 3.36Å; V298-G306 PolarHBondContact O-N 3.12Å; T303-G306 CarbonylContact O-C 3.49Å; T303-G306 WeakPolarHBondContact O-CA 3.38Å; T303-G306 PolarHBondContact O-N 3.45Å; T303-G306 PolarHBondContact OG1-N 3Å; T303-G306 VanDerWaalsContact OG1-N 3.16Å; D304-G306 PolarHBondContact O-N 3.32Å; D304-G306 VanDerWaalsContact O-N 3.12Å; G306-A308 VanDerWaalsContact C-N 3.28Å; G306-A308 PolarHBondContact O-N 2.86Å; G306-L309 WeakPolarHBondContact O-CB 3.26Å; G306-L309 PolarHBondContact O-N 2.92Å; G306-L309 VanDerWaalsContact O-N 3.13Å
307	E	58.9	Low	57.1	Low	60 Å²	60	36.9 Å²	36.9	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-63.7	-38.7	176.7	-153	-168.4	151.1	0	0	111	T303 D304 F305 L309 T310 R311	T303-E307 PolarHBondContact O-N 3.28Å; D304-E307 HydrophobicContact CB-CB 4.35Å; D304-E307 WeakPolarHBondContact O-CB 3.3Å; D304-E307 PolarHBondContact O-N 3.48Å; F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 2.97Å; E307-L309 PolarHBondContact O-N 3.12Å; E307-T310 PolarHBondContact O-N 3.19Å; E307-T310 PolarHBondContact O-OG1 2.93Å; E307-R311 PolarHBondContact O-N 3.1Å; E307-R311 IonicContact OE1-CZ 3.2Å; E307-R311 IonicContact OE1-NE 2.84Å; E307-R311 PolarHBondContact OE1-NE 3.05Å; E307-R311 IonicContact OE1-NH2 3.13Å; E307-R311 PolarHBondContact OE1-NH2 2.84Å; E307-R311 IonicContact OE2-CZ 2.74Å; E307-R311 IonicContact OE2-NH2 3.06Å; E307-R311 PolarHBondContact OE2-NH2 2.8Å
308	A	53.4	Low	56.2	Low	2 Å²	2	38.9 Å²	38.9	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-50.6	-43.2	173.3	0	0	0	0	0	111.9	T303 D304 G306 T310 R311 E314	T303-A308 WeakPolarHBondContact O-CB 3.35Å; T303-A308 PolarHBondContact O-N 2.88Å; D304-A308 HydrophobicContact CB-CB 4.25Å; G306-A308 VanDerWaalsContact C-N 3.28Å; G306-A308 PolarHBondContact O-N 2.86Å; A308-T310 PolarHBondContact O-N 2.72Å; A308-R311 PolarHBondContact O-N 3.18Å; A308-E314 WeakPolarHBondContact CA-OE1 3.36Å; A308-E314 WeakPolarHBondContact CA-OE2 3.42Å; A308-E314 WeakPolarHBondContact CB-OE2 3.36Å; A308-E314 VanDerWaalsContact O-CD 3.26Å
309	L	53.4	Low	55.4	Low	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-17.4	-177.9	-62.3	176.4	0	0	0	113	L64 R72 V298 T303 G306 E307 F315	L64-L309 HydrophobicContact CD1-CB 4.01Å; L64-L309 WeakPolarHBondContact CD1-O 3.42Å; R72-L309 HydrophobicContact CB-CD2 3.88Å; R72-L309 WeakPolarHBondContact CD-O 3.47Å; R72-L309 PolarHBondContact NE-O 3.13Å; R72-L309 PolarHBondContact NH1-O 2.76Å; V298-L309 HydrophobicContact CB-CD1 4.21Å; V298-L309 HydrophobicContact CG1-CD1 4.22Å; V298-L309 HydrophobicContact CG2-CD1 3.55Å; T303-L309 HydrophobicContact CG2-CD1 4.14Å; T303-L309 HydrophobicContact CG2-CD2 4.39Å; T303-L309 HydrophobicContact CG2-CG 4.13Å; G306-L309 WeakPolarHBondContact O-CB 3.26Å; G306-L309 PolarHBondContact O-N 2.92Å; G306-L309 VanDerWaalsContact O-N 3.13Å; E307-L309 PolarHBondContact O-N 3.12Å; L309-F315 HydrophobicContact CD2-CZ 4.28Å
310	T	51.9	Low	54.9	Low	39 Å²	39	40.3 Å²	40.3	24%	0.239	20%	0.196	C	C	.	.	H	α-helix	trans	-90.6	-24.2	179.6	67.2	0	0	0	0	113.2	Q63 R72 E307 A308	Q63-T310 HydrophobicContact CB-CG2 4.49Å; R72-T310 PolarHBondContact NH1-O 2.87Å; E307-T310 PolarHBondContact O-N 3.19Å; E307-T310 PolarHBondContact O-OG1 2.93Å; A308-T310 PolarHBondContact O-N 2.72Å
311	R	55.9	Low	54.2	Low	41 Å²	41	42.7 Å²	42.7	16%	0.155	21%	0.207	C	C	.	.			trans	-81.2	126.2	-171.5	-68.2	173.5	-178.2	167.5	2.7	111.6	D107 D304 E307 A308 D313 E314 F315	D107-R311 IonicContact OD2-NH1 3.91Å; D304-R311 IonicContact OD2-CZ 2.74Å; D304-R311 IonicContact OD2-NH1 3.44Å; D304-R311 IonicContact OD2-NH2 3.35Å; E307-R311 PolarHBondContact O-N 3.1Å; E307-R311 IonicContact OE1-CZ 3.2Å; E307-R311 IonicContact OE1-NE 2.84Å; E307-R311 PolarHBondContact OE1-NE 3.05Å; E307-R311 IonicContact OE1-NH2 3.13Å; E307-R311 PolarHBondContact OE1-NH2 2.84Å; E307-R311 IonicContact OE2-CZ 2.74Å; E307-R311 IonicContact OE2-NH2 3.06Å; E307-R311 PolarHBondContact OE2-NH2 2.8Å; A308-R311 PolarHBondContact O-N 3.18Å; R311-D313 VanDerWaalsContact C-N 3.29Å; R311-D313 PolarHBondContact O-N 2.89Å; R311-E314 HydrophobicContact CB-CG 3.81Å; R311-E314 VanDerWaalsContact CD-OE1 3.23Å; R311-E314 WeakPolarHBondContact CD-OE1 3.33Å; R311-E314 IonicContact NH1-OE1 2.63Å; R311-E314 WeakPolarHBondContact O-CB 3.35Å; R311-E314 PolarHBondContact O-N 3.03Å; R311-F315 WeakPolarHBondContact O-CD2 3.47Å; R311-F315 WeakPolarHBondContact O-CE2 3.2Å
312	H	51.3	Low	53.7	Low	155 Å²	155	42.3 Å²	42.3	72%	0.718	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-68.3	-24	-178.3	-77.3	-70.6	0	0	0	114.2	E314	H312-E314 PolarHBondContact O-N 2.79Å
313	D	46.7	Very low	53.2	Low	131 Å²	131	45.5 Å²	45.5	70%	0.701	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-77.6	-1.9	180	-60.5	-23	0	0	0	112.6	R79 R311	R79-D313 PolarHBondContact NH1-O 3.29Å; R311-D313 VanDerWaalsContact C-N 3.29Å; R311-D313 PolarHBondContact O-N 2.89Å
314	E	45.8	Very low	52.6	Low	10 Å²	10	49.3 Å²	49.3	5%	0.047	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-95	-2.5	-179.3	-60.3	-158.7	-168.4	0	0	114.2	R79 A308 R311 H312	R79-E314 PolarHBondContact NE-O 2.94Å; R79-E314 VanDerWaalsContact NH1-C 3.27Å; R79-E314 PolarHBondContact NH1-O 2.98Å; R79-E314 PolarHBondContact NH2-O 2.9Å; A308-E314 WeakPolarHBondContact CA-OE1 3.36Å; A308-E314 WeakPolarHBondContact CA-OE2 3.42Å; A308-E314 WeakPolarHBondContact CB-OE2 3.36Å; A308-E314 VanDerWaalsContact O-CD 3.26Å; R311-E314 HydrophobicContact CB-CG 3.81Å; R311-E314 VanDerWaalsContact CD-OE1 3.23Å; R311-E314 WeakPolarHBondContact CD-OE1 3.33Å; R311-E314 IonicContact NH1-OE1 2.63Å; R311-E314 WeakPolarHBondContact O-CB 3.35Å; R311-E314 PolarHBondContact O-N 3.03Å; H312-E314 PolarHBondContact O-N 2.79Å
315	F	43.2	Very low	51.9	Low	85 Å²	85	52 Å²	52	37%	0.373	25%	0.252	S	S	.	.			trans	-117.3	0	-178.6	-57.5	-64.8	0	0	0	112.1	R72 M75 R79 L309 R311	R72-F315 HydrophobicContact CB-CD1 4.27Å; R72-F315 HydrophobicContact CB-CE1 3.45Å; R72-F315 VanDerWaalsContact CB-CE1 3.45Å; R72-F315 HydrophobicContact CB-CE2 4.33Å; R72-F315 HydrophobicContact CB-CZ 3.49Å; R72-F315 VanDerWaalsContact CB-CZ 3.49Å; R72-F315 HydrophobicContact CG-CD1 4.28Å; R72-F315 HydrophobicContact CG-CD2 4.47Å; R72-F315 HydrophobicContact CG-CE1 3.8Å; R72-F315 HydrophobicContact CG-CE2 3.99Å; R72-F315 HydrophobicContact CG-CZ 3.65Å; R72-F315 VanDerWaalsContact O-CE1 3.3Å; R72-F315 WeakPolarHBondContact O-CE1 3.12Å; M75-F315 HydrophobicContact CB-CD1 3.72Å; M75-F315 HydrophobicContact CB-CE1 4.3Å; M75-F315 HydrophobicContact CG-CD1 4.31Å; M75-F315 HydrophobicContact SD-CB 3.86Å; M75-F315 HydrophobicContact SD-CD1 3.68Å; M75-F315 HydrophobicContact SD-CG 4.06Å; R79-F315 PolarHBondContact NH2-OXT 3.13Å; L309-F315 HydrophobicContact CD2-CZ 4.28Å; R311-F315 WeakPolarHBondContact O-CD2 3.47Å; R311-F315 WeakPolarHBondContact O-CE2 3.2Å

Retrieved 315 of 315 residues in 764 ms (Link to these results)

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