A0A077YWQ4_TRITR Loading...

WAP domain containing protein, SLPI-like

AlphaFold DB , UniProt , Accession A0A077YWQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.8	Low	76.2	Confident	211 Å²	211	110.3 Å²	110.3	100%	1.039	60%	0.597	S	S	*	*				0	-41	0	-60.5	-139.5	178.8	0	0	112.9	A3 L4	M1-A3 PolarHBondContact O-N 3Å; M1-L4 PolarHBondContact O-N 3.13Å
2	S	74.5	Confident	76.3	Confident	87 Å²	87	112.6 Å²	112.6	61%	0.608	59%	0.592	S	S	*	*	H	α-helix	trans	-56.9	-40.7	179.3	-176.9	0	0	0	0	115.2	L4 L5 L6	S2-L4 PolarHBondContact O-N 2.89Å; S2-L5 PolarHBondContact O-N 2.95Å; S2-L6 PolarHBondContact O-N 3.15Å; S2-L6 VanDerWaalsContact O-N 3.14Å
3	A	75.2	Confident	75.8	Confident	74 Å²	74	116.1 Å²	116.1	61%	0.612	59%	0.593	S	S	*	*	H	α-helix	trans	-65.5	-34.9	-177.2	0	0	0	0	0	114.3	M1 W7	M1-A3 PolarHBondContact O-N 3Å; A3-W7 PolarHBondContact O-N 2.86Å
4	L	75.6	Confident	75.5	Confident	134 Å²	134	113.7 Å²	113.7	70%	0.702	58%	0.581	S	S	*	*	H	α-helix	trans	-70.3	-39.4	178.4	-76.9	165.9	0	0	0	111.5	M1 S2 W7 T8	M1-L4 PolarHBondContact O-N 3.13Å; S2-L4 PolarHBondContact O-N 2.89Å; L4-W7 PolarHBondContact O-N 2.99Å; L4-T8 WeakPolarHBondContact O-CG2 3.39Å; L4-T8 PolarHBondContact O-N 3.01Å; L4-T8 PolarHBondContact O-OG1 2.78Å
5	L	76.6	Confident	74.4	Confident	114 Å²	114	118.8 Å²	118.8	60%	0.597	59%	0.59	S	S	*	*	H	α-helix	trans	-63.7	-44	176.1	-83.7	162.9	0	0	0	111.7	S2 W7 T8 L9	S2-L5 PolarHBondContact O-N 2.95Å; L5-W7 VanDerWaalsContact C-N 3.33Å; L5-W7 PolarHBondContact O-N 2.64Å; L5-T8 WeakPolarHBondContact CA-OG1 3.49Å; L5-T8 PolarHBondContact O-N 3.39Å; L5-T8 PolarHBondContact O-OG1 2.6Å; L5-L9 WeakPolarHBondContact O-CG 3Å; L5-L9 PolarHBondContact O-N 3.1Å
6	L	78.1	Confident	73.2	Confident	105 Å²	105	116.8 Å²	116.8	55%	0.55	58%	0.578	S	S	.	*	H	α-helix	trans	-59.5	-43.8	173.7	-85.4	161	0	0	0	111.6	S2 L9 V10	S2-L6 PolarHBondContact O-N 3.15Å; S2-L6 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 3.24Å; L6-V10 WeakPolarHBondContact O-CB 3.12Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 3.32Å
7	W	78.6	Confident	72	Confident	188 Å²	188	115.1 Å²	115.1	71%	0.712	58%	0.576	S	S	*	*	H	α-helix	trans	-63.8	-42.5	177.6	-127.6	86.4	0	0	0	112.3	A3 L4 L5 L9 V10 V11	A3-W7 PolarHBondContact O-N 2.86Å; L4-W7 PolarHBondContact O-N 2.99Å; L5-W7 VanDerWaalsContact C-N 3.33Å; L5-W7 PolarHBondContact O-N 2.64Å; W7-L9 PolarHBondContact O-N 2.89Å; W7-V10 PolarHBondContact O-N 3.04Å; W7-V11 HydrophobicContact CD2-CG2 4.41Å; W7-V11 HydrophobicContact CE3-CG2 3.39Å; W7-V11 HydrophobicContact CH2-CG2 4.4Å; W7-V11 HydrophobicContact CZ3-CG2 3.39Å; W7-V11 VanDerWaalsContact O-CG2 3.31Å; W7-V11 WeakPolarHBondContact O-CG2 3.49Å; W7-V11 PolarHBondContact O-N 2.88Å
8	T	80.5	Confident	70.8	Confident	82 Å²	82	115.9 Å²	115.9	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-37.9	176.4	53.5	0	0	0	0	112.6	L4 L5 Y12	L4-T8 WeakPolarHBondContact O-CG2 3.39Å; L4-T8 PolarHBondContact O-N 3.01Å; L4-T8 PolarHBondContact O-OG1 2.78Å; L5-T8 WeakPolarHBondContact CA-OG1 3.49Å; L5-T8 PolarHBondContact O-N 3.39Å; L5-T8 PolarHBondContact O-OG1 2.6Å; T8-Y12 WeakPolarHBondContact O-CB 3.14Å; T8-Y12 PolarHBondContact O-N 3.27Å
9	L	79	Confident	69.5	Low	92 Å²	92	114.3 Å²	114.3	48%	0.482	59%	0.587	S	S	.	*	H	α-helix	trans	-68.2	-42.3	175.4	-73.4	174.9	0	0	0	111.1	L5 L6 W7 Y12 W13	L5-L9 WeakPolarHBondContact O-CG 3Å; L5-L9 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.24Å; W7-L9 PolarHBondContact O-N 2.89Å; L9-Y12 PolarHBondContact O-N 3.49Å; L9-W13 WeakPolarHBondContact O-CB 3.28Å; L9-W13 PolarHBondContact O-N 3.06Å
10	V	81.7	Confident	68.2	Low	75 Å²	75	117.5 Å²	117.5	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-63.6	-44	176.3	171.1	0	0	0	0	110.7	L6 W7 Y12 W13 I14	L6-V10 WeakPolarHBondContact O-CB 3.12Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 3.32Å; W7-V10 PolarHBondContact O-N 3.04Å; V10-Y12 VanDerWaalsContact C-N 3.33Å; V10-Y12 PolarHBondContact O-N 2.69Å; V10-W13 PolarHBondContact O-N 3.25Å; V10-I14 HydrophobicContact CG1-CD1 3.51Å; V10-I14 HydrophobicContact CG1-CG1 4.18Å; V10-I14 VanDerWaalsContact O-CB 3.25Å; V10-I14 WeakPolarHBondContact O-CB 3.44Å; V10-I14 WeakPolarHBondContact O-CG1 3.48Å; V10-I14 PolarHBondContact O-N 2.85Å
11	V	76.4	Confident	67.2	Low	51 Å²	51	119.9 Å²	119.9	31%	0.309	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-37.9	175	173.9	0	0	0	0	111.6	W7 R15	W7-V11 HydrophobicContact CD2-CG2 4.41Å; W7-V11 HydrophobicContact CE3-CG2 3.39Å; W7-V11 HydrophobicContact CH2-CG2 4.4Å; W7-V11 HydrophobicContact CZ3-CG2 3.39Å; W7-V11 VanDerWaalsContact O-CG2 3.31Å; W7-V11 WeakPolarHBondContact O-CG2 3.49Å; W7-V11 PolarHBondContact O-N 2.88Å; V11-R15 VanDerWaalsContact O-CB 3.29Å; V11-R15 WeakPolarHBondContact O-CB 3.18Å; V11-R15 WeakPolarHBondContact O-CG 2.99Å; V11-R15 PolarHBondContact O-N 2.81Å
12	Y	77.7	Confident	67	Low	138 Å²	138	116.5 Å²	116.5	54%	0.541	58%	0.584	S	S	.	*	H	α-helix	trans	-67.1	-43.5	176.3	-178.1	-108.2	0	0	0	112	T8 L9 V10 R15 Q16	T8-Y12 WeakPolarHBondContact O-CB 3.14Å; T8-Y12 PolarHBondContact O-N 3.27Å; L9-Y12 PolarHBondContact O-N 3.49Å; V10-Y12 VanDerWaalsContact C-N 3.33Å; V10-Y12 PolarHBondContact O-N 2.69Å; Y12-R15 PolarHBondContact O-N 3.32Å; Y12-Q16 HydrophobicContact CE1-CG 4.46Å; Y12-Q16 WeakPolarHBondContact O-CB 3.48Å; Y12-Q16 PolarHBondContact O-N 2.85Å; Y12-Q16 PolarHBondContact OH-NE2 2.78Å
13	W	70.2	Confident	66.6	Low	158 Å²	158	113.9 Å²	113.9	60%	0.598	56%	0.561	S	S	*	*	H	α-helix	trans	-65.5	-44	173.8	-85.3	102.8	0	0	0	111.3	L9 V10 R15 Q16 T17	L9-W13 WeakPolarHBondContact O-CB 3.28Å; L9-W13 PolarHBondContact O-N 3.06Å; V10-W13 PolarHBondContact O-N 3.25Å; W13-R15 PolarHBondContact O-N 3.15Å; W13-Q16 CarbonylContact O-C 3.59Å; W13-Q16 PolarHBondContact O-N 2.03Å; W13-T17 WeakPolarHBondContact O-CB 3.34Å; W13-T17 WeakPolarHBondContact O-CG2 3.37Å; W13-T17 PolarHBondContact O-N 2.03Å; W13-T17 PolarHBondContact O-OG1 3.27Å
14	I	70.6	Confident	66.4	Low	83 Å²	83	112.8 Å²	112.8	43%	0.426	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-45.5	174.9	-70.7	169.9	0	0	0	110.1	V10 Q16 T17 I18	V10-I14 HydrophobicContact CG1-CD1 3.51Å; V10-I14 HydrophobicContact CG1-CG1 4.18Å; V10-I14 VanDerWaalsContact O-CB 3.25Å; V10-I14 WeakPolarHBondContact O-CB 3.44Å; V10-I14 WeakPolarHBondContact O-CG1 3.48Å; V10-I14 PolarHBondContact O-N 2.85Å; I14-Q16 PolarHBondContact O-N 3.31Å; I14-T17 VanDerWaalsContact CA-OG1 3.31Å; I14-T17 WeakPolarHBondContact CA-OG1 3.44Å; I14-T17 PolarHBondContact O-N 3.36Å; I14-T17 PolarHBondContact O-OG1 2.75Å; I14-I18 HydrophobicContact CG2-CD1 3.45Å; I14-I18 VanDerWaalsContact CG2-CD1 3.45Å; I14-I18 HydrophobicContact CG2-CG1 4.29Å; I14-I18 WeakPolarHBondContact O-CB 3.1Å; I14-I18 WeakPolarHBondContact O-CD1 3.34Å; I14-I18 WeakPolarHBondContact O-CG1 2.98Å; I14-I18 PolarHBondContact O-N 2.03Å
15	R	60.2	Low	66.2	Low	190 Å²	190	107.7 Å²	107.7	72%	0.717	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-41.3	173.9	-82.7	-169.9	174.6	-155.2	-0.8	112	V11 Y12 W13 A19	V11-R15 VanDerWaalsContact O-CB 3.29Å; V11-R15 WeakPolarHBondContact O-CB 3.18Å; V11-R15 WeakPolarHBondContact O-CG 2.99Å; V11-R15 PolarHBondContact O-N 2.81Å; Y12-R15 PolarHBondContact O-N 3.32Å; W13-R15 PolarHBondContact O-N 3.15Å; R15-A19 WeakPolarHBondContact O-CB 2.97Å; R15-A19 PolarHBondContact O-N 3.11Å
16	Q	54.2	Low	66.4	Low	86 Å²	86	105.9 Å²	105.9	40%	0.402	53%	0.525	S	S	.	.	H	α-helix	trans	-68	-39.5	176	-84	-159.8	36.7	0	0	112.8	Y12 W13 I14 I18 A19 Y20	Y12-Q16 HydrophobicContact CE1-CG 4.46Å; Y12-Q16 WeakPolarHBondContact O-CB 3.48Å; Y12-Q16 PolarHBondContact O-N 2.85Å; Y12-Q16 PolarHBondContact OH-NE2 2.78Å; W13-Q16 CarbonylContact O-C 3.59Å; W13-Q16 PolarHBondContact O-N 2.03Å; I14-Q16 PolarHBondContact O-N 3.31Å; Q16-I18 VanDerWaalsContact C-N 3.33Å; Q16-A19 PolarHBondContact O-N 2.61Å; Q16-Y20 PolarHBondContact O-N 2.72Å
17	T	52.6	Low	66.7	Low	89 Å²	89	103.1 Å²	103.1	55%	0.546	51%	0.514	S	S	.	.	H	α-helix	trans	-71.9	-28.9	178.3	51.6	0	0	0	0	112.1	W13 I14	W13-T17 WeakPolarHBondContact O-CB 3.34Å; W13-T17 WeakPolarHBondContact O-CG2 3.37Å; W13-T17 PolarHBondContact O-N 2.03Å; W13-T17 PolarHBondContact O-OG1 3.27Å; I14-T17 VanDerWaalsContact CA-OG1 3.31Å; I14-T17 WeakPolarHBondContact CA-OG1 3.44Å; I14-T17 PolarHBondContact O-N 3.36Å; I14-T17 PolarHBondContact O-OG1 2.75Å
18	I	51.3	Low	66.6	Low	129 Å²	129	96 Å²	96	66%	0.662	49%	0.492	S	S	*	.	H	α-helix	trans	-79	-25.5	172.6	-61.5	165	0	0	0	110.9	I14 Q16	I14-I18 HydrophobicContact CG2-CD1 3.45Å; I14-I18 VanDerWaalsContact CG2-CD1 3.45Å; I14-I18 HydrophobicContact CG2-CG1 4.29Å; I14-I18 WeakPolarHBondContact O-CB 3.1Å; I14-I18 WeakPolarHBondContact O-CD1 3.34Å; I14-I18 WeakPolarHBondContact O-CG1 2.98Å; I14-I18 PolarHBondContact O-N 2.03Å; Q16-I18 VanDerWaalsContact C-N 3.33Å
19	A	46.5	Very low	66.3	Low	85 Å²	85	95.6 Å²	95.6	70%	0.702	49%	0.491	S	S	*	.	S	Bend	trans	-93.1	7.6	-177	0	0	0	0	0	115.3	R15 Q16	R15-A19 WeakPolarHBondContact O-CB 2.97Å; R15-A19 PolarHBondContact O-N 3.11Å; Q16-A19 PolarHBondContact O-N 2.61Å
20	Y	42.8	Very low	65.9	Low	178 Å²	178	95.3 Å²	95.3	70%	0.698	49%	0.486	S	S	*	.			trans	-136.8	33.4	180	-166.5	-100.9	0	0	0	114.3	Q16 Q22	Q16-Y20 PolarHBondContact O-N 2.72Å; Y20-Q22 PolarHBondContact O-N 2.79Å
21	E	48	Very low	64.9	Low	168 Å²	168	101.3 Å²	101.3	79%	0.785	50%	0.502	S	S	*	.			trans	-91	96.2	156.7	-89.5	-171	150.3	0	0	108.3	R23	E21-R23 PolarHBondContact O-N 2.85Å; E21-R23 VanDerWaalsContact O-N 3.15Å
22	Q	57.2	Low	64	Low	141 Å²	141	105 Å²	105	66%	0.659	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-47.7	126	159.5	-77.1	-175.4	-11.8	0	0	107.3	Y20 A24	Y20-Q22 PolarHBondContact O-N 2.79Å; Q22-A24 PolarHBondContact O-N 3.19Å
23	R	66.1	Low	62.9	Low	31 Å²	31	105 Å²	105	12%	0.117	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-54.1	138.5	-179.6	-71.1	-178	-174.9	172.7	3.8	108.6	E21 D45 C48 W50 R52 K53	E21-R23 PolarHBondContact O-N 2.85Å; E21-R23 VanDerWaalsContact O-N 3.15Å; R23-D45 HydrophobicContact CG-CB 4.1Å; R23-D45 PolarHBondContact N-OD2 3.16Å; R23-D45 PolarHBondContact NE-O 3.42Å; R23-D45 PolarHBondContact NH1-O 2.91Å; R23-D45 PolarHBondContact NH2-O 3.03Å; R23-D45 VanDerWaalsContact NH2-O 3.07Å; R23-C48 VanDerWaalsContact CZ-O 3.25Å; R23-C48 PolarHBondContact NH1-O 2.76Å; R23-C48 PolarHBondContact NH2-O 3.2Å; R23-W50 VanDerWaalsContact NH1-CA 3.29Å; R23-R52 WeakPolarHBondContact CD-O 3.45Å; R23-R52 PolarHBondContact NH1-O 3.4Å; R23-K53 HydrophobicContact CB-CG 4.01Å; R23-K53 PolarHBondContact O-NZ 2.83Å
24	A	70.2	Confident	62.3	Low	51 Å²	51	103.2 Å²	103.2	42%	0.421	53%	0.527	S	S	.	.	S	Bend	trans	-54.1	155.5	-173.7	0	0	0	0	0	112.3	Q22 P66 Y69	Q22-A24 PolarHBondContact O-N 3.19Å; A24-P66 WeakPolarHBondContact O-CG 3.41Å; A24-Y69 HydrophobicContact CB-CD2 4.18Å; A24-Y69 HydrophobicContact CB-CE2 3.68Å; A24-Y69 WeakPolarHBondContact O-CD2 3.31Å; A24-Y69 WeakPolarHBondContact O-CE2 2.98Å
25	G	71.1	Confident	61.8	Low	27 Å²	27	104.1 Å²	104.1	28%	0.278	53%	0.533	S	S	.	.	S	Bend	trans	83.8	169.6	177.7	0	0	0	0	0	115.7	K53 S68	G25-K53 WeakPolarHBondContact O-CD 3.5Å; G25-K53 WeakPolarHBondContact O-CE 3.45Å; G25-S68 VanDerWaalsContact CA-OG 3.29Å; G25-S68 WeakPolarHBondContact CA-OG 3.4Å
26	T	81.3	Confident	61.9	Low	76 Å²	76	99 Å²	99	47%	0.466	54%	0.54	S	S	.	.			trans	-107.3	139.7	-171.3	48.3	0	0	0	0	111.7	P66 E67 S68	T26-P66 CarbonylContact O-C 3.33Å; T26-P66 WeakPolarHBondContact O-CA 3.45Å; T26-P66 WeakPolarHBondContact O-CB 3.35Å; T26-E67 PolarHBondContact O-N 3.36Å; T26-S68 PolarHBondContact N-OG 2.9Å; T26-S68 PolarHBondContact OG1-OG 2.73Å
27	C	84	Confident	62.7	Low	48 Å²	48	100.9 Å²	100.9	32%	0.324	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-59.1	142.8	172	-76.9	0	0	0	0	111.1	C55	C27-C55 VanDerWaalsContact CA-SG 3.51Å; C27-C55 HydrophobicContact CB-CB 3.68Å; C27-C55 WeakPolarHBondContact CB-SG 3.42Å; C27-C55 WeakPolarHBondContact SG-CA 3.16Å; C27-C55 WeakPolarHBondContact SG-CB 3.28Å; C27-C55 CovalentContact SG-SG 2.04Å; C27-C55 PolarHBondContact SG-SG 3.15Å
28	P	77.4	Confident	63.8	Low	37 Å²	37	101.6 Å²	101.6	24%	0.24	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-56.4	141.3	172.5	-20.6	31	0	0	0	111.3	F30 L64 L65 E67	P28-F30 PolarHBondContact O-N 3.48Å; P28-L64 HydrophobicContact CG-CB 4.38Å; P28-L64 HydrophobicContact CG-CD1 4.08Å; P28-L65 WeakPolarHBondContact CG-O 3.39Å; P28-E67 HydrophobicContact CB-CG 4.13Å; P28-E67 HydrophobicContact CG-CG 4.25Å
29	P	73.7	Confident	65.1	Low	75 Å²	75	98.9 Å²	98.9	49%	0.487	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-66.2	129.7	173.5	28.9	-32	0	0	0	108.7	E67	P29-E67 WeakPolarHBondContact CD-OE1 3.15Å; P29-E67 VanDerWaalsContact CD-OE2 3.31Å; P29-E67 WeakPolarHBondContact CD-OE2 2.99Å
30	F	71.5	Confident	67	Low	85 Å²	85	97.5 Å²	97.5	37%	0.373	52%	0.516	S	S	.	.			trans	-115	138.3	169.4	70.1	-76.4	0	0	0	108.8	P28 K56	P28-F30 PolarHBondContact O-N 3.48Å; F30-K56 HydrophobicContact CD1-CB 4.42Å; F30-K56 WeakPolarHBondContact CD1-O 3.32Å; F30-K56 HydrophobicContact CE1-CB 3.46Å; F30-K56 VanDerWaalsContact CE1-CB 3.46Å; F30-K56 WeakPolarHBondContact CE1-O 3.49Å; F30-K56 HydrophobicContact CE2-CB 4.34Å; F30-K56 WeakPolarHBondContact CG-O 3.24Å; F30-K56 HydrophobicContact CZ-CB 3.4Å; F30-K56 VanDerWaalsContact CZ-CB 3.4Å
31	Y	59.7	Low	69	Low	202 Å²	202	94.5 Å²	94.5	79%	0.792	51%	0.512	S	S	*	.			trans	-100.3	134.6	176	-56	-83.4	0	0	0	108.5	I33	Y31-I33 PolarHBondContact O-N 2.75Å
32	I	57.8	Low	71	Confident	128 Å²	128	86.5 Å²	86.5	66%	0.656	48%	0.475	S	S	*	.			trans	-75.6	117.4	-160	-44.8	173.1	0	0	0	111.2	I34	I32-I34 HydrophobicContact CG2-CD1 4.15Å; I32-I34 HydrophobicContact CG2-CG1 3.51Å
33	I	54.2	Low	72.6	Confident	138 Å²	138	86.9 Å²	86.9	71%	0.708	48%	0.475	S	S	*	.			trans	-129.3	103.6	140.7	-56.6	-179.7	0	0	0	104.4	Y31 D35 S58	Y31-I33 PolarHBondContact O-N 2.75Å; I33-D35 PolarHBondContact O-N 2.9Å; I33-D35 VanDerWaalsContact O-N 3.17Å; I33-S58 WeakPolarHBondContact O-CB 3.01Å
34	I	58.5	Low	73.6	Confident	120 Å²	120	89.2 Å²	89.2	62%	0.615	49%	0.49	S	S	*	.			trans	-73	109.4	176.5	-51.3	178.4	0	0	0	106	I32 Y38	I32-I34 HydrophobicContact CG2-CD1 4.15Å; I32-I34 HydrophobicContact CG2-CG1 3.51Å; I34-Y38 HydrophobicContact CG2-CD2 3.99Å
35	D	59.2	Low	74.3	Confident	102 Å²	102	87.9 Å²	87.9	55%	0.545	48%	0.475	S	S	.	.			trans	-74.6	151.3	174.3	-145.6	-17.5	0	0	0	109.5	I33 N37 S58	I33-D35 PolarHBondContact O-N 2.9Å; I33-D35 VanDerWaalsContact O-N 3.17Å; D35-N37 PolarHBondContact O-N 3Å; D35-S58 PolarHBondContact N-O 2.89Å
36	G	63	Low	75	Confident	84 Å²	84	93.1 Å²	93.1	87%	0.866	49%	0.492	S	S	*	.	S	Bend	trans	-63.6	-7.4	-177.6	0	0	0	0	0	114.2
37	N	69.8	Low	75.4	Confident	124 Å²	124	93.5 Å²	93.5	66%	0.663	49%	0.492	S	S	*	.			trans	-110.9	59.3	-178	-156.6	8.8	0	0	0	110.8	D35 V39	D35-N37 PolarHBondContact O-N 3Å; N37-V39 PolarHBondContact O-N 3.06Å
38	Y	75.9	Confident	75.4	Confident	105 Å²	105	91.3 Å²	91.3	41%	0.412	48%	0.477	S	S	.	.			trans	-74.6	105.1	-179.8	-167.4	-93.1	0	0	0	110.5	I34 N40 T59	I34-Y38 HydrophobicContact CG2-CD2 3.99Å; Y38-N40 WeakPolarHBondContact CE1-OD1 3.19Å; Y38-T59 WeakPolarHBondContact CA-O 3.4Å
39	V	78.8	Confident	75.7	Confident	71 Å²	71	96.7 Å²	96.7	43%	0.43	50%	0.503	S	S	.	.			trans	-119.7	121	-177.5	-178.4	0	0	0	0	110.6	N37 N41 T59 G60	N37-V39 PolarHBondContact O-N 3.06Å; V39-N41 PolarHBondContact O-N 3.16Å; V39-T59 PolarHBondContact N-O 3.49Å; V39-G60 WeakPolarHBondContact O-CA 3.44Å
40	N	86.1	Confident	75.6	Confident	57 Å²	57	99.1 Å²	99.1	31%	0.305	50%	0.502	S	S	.	.			trans	-86.6	110.3	174.8	-64.8	-23.7	0	0	0	110.2	Y38 F43 Q61	Y38-N40 WeakPolarHBondContact CE1-OD1 3.19Å; N40-F43 HydrophobicContact CB-CE1 4.27Å; N40-F43 HydrophobicContact CB-CZ 4.46Å; N40-Q61 HydrophobicContact CB-CB 4.14Å; N40-Q61 PolarHBondContact ND2-OE1 3.12Å; N40-Q61 WeakPolarHBondContact OD1-CG 3.48Å; N40-Q61 PolarHBondContact OD1-N 2.68Å; N40-Q61 VanDerWaalsContact OD1-N 3.17Å
41	N	86	Confident	75.8	Confident	114 Å²	114	95.1 Å²	95.1	61%	0.61	49%	0.485	S	S	*	.	S	Bend	trans	-87	-8.8	173.7	-63.9	-38.4	0	0	0	112.8	V39 Q61	V39-N41 PolarHBondContact O-N 3.16Å; N41-Q61 WeakPolarHBondContact CB-O 3.15Å; N41-Q61 PolarHBondContact N-O 3.17Å
42	C	90.2	Very high	76.8	Confident	1 Å²	1	89.3 Å²	89.3	1%	0.007	46%	0.462	C	S	.	.			trans	-152.4	156.7	174.3	60.2	0	0	0	0	109.2	D47 C54 Q61 E62	C42-D47 HydrophobicContact CB-CB 3.81Å; C42-C54 HydrophobicContact CB-CB 3.71Å; C42-C54 WeakPolarHBondContact CB-SG 3.39Å; C42-C54 PolarHBondContact O-SG 3.11Å; C42-C54 WeakPolarHBondContact SG-CA 3.39Å; C42-C54 WeakPolarHBondContact SG-CB 3.03Å; C42-C54 CovalentContact SG-SG 2.04Å; C42-C54 PolarHBondContact SG-SG 3.15Å; C42-Q61 VanDerWaalsContact O-CB 3.23Å; C42-Q61 WeakPolarHBondContact O-CB 3.07Å; C42-E62 VanDerWaalsContact SG-C 3.53Å
43	F	89.4	Confident	78.2	Confident	149 Å²	149	84 Å²	84	65%	0.654	43%	0.434	S	S	*	.	S	Bend	trans	-113.6	-34.8	173.2	-63.2	-81.7	0	0	0	111.4	N40 D47	N40-F43 HydrophobicContact CB-CE1 4.27Å; N40-F43 HydrophobicContact CB-CZ 4.46Å; F43-D47 WeakPolarHBondContact CA-OD2 3.35Å; F43-D47 WeakPolarHBondContact CB-OD2 3.46Å; F43-D47 PolarHBondContact N-OD2 3.27Å
44	D	87.6	Confident	79.9	Confident	80 Å²	80	78.1 Å²	78.1	43%	0.428	41%	0.405	S	S	.	.	S	Bend	trans	-140.2	176.2	174.4	63.8	41.8	0	0	0	112.7	E46 D47 C54	D44-E46 PolarHBondContact O-N 2.89Å; D44-E46 WeakPolarHBondContact OD1-CA 3.49Å; D44-E46 VanDerWaalsContact OD1-CB 3.26Å; D44-E46 WeakPolarHBondContact OD1-CB 3.38Å; D44-E46 PolarHBondContact OD1-N 3.22Å; D44-D47 PolarHBondContact N-OD2 3.28Å; D44-D47 VanDerWaalsContact N-OD2 3.07Å; D44-D47 WeakPolarHBondContact O-CB 3.11Å; D44-D47 PolarHBondContact O-N 3.09Å; D44-D47 PolarHBondContact OD1-N 2.89Å; D44-D47 VanDerWaalsContact OD1-N 3.17Å; D44-C54 VanDerWaalsContact C-CB 3.41Å; D44-C54 WeakPolarHBondContact O-CB 3.25Å
45	D	85.6	Confident	81.4	Confident	22 Å²	22	72.5 Å²	72.5	12%	0.118	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63.9	-21.3	-178.6	-71.3	-11.3	0	0	0	112.9	R23 C48 K53 C54	R23-D45 HydrophobicContact CG-CB 4.1Å; R23-D45 PolarHBondContact N-OD2 3.16Å; R23-D45 PolarHBondContact NE-O 3.42Å; R23-D45 PolarHBondContact NH1-O 2.91Å; R23-D45 PolarHBondContact NH2-O 3.03Å; R23-D45 VanDerWaalsContact NH2-O 3.07Å; D45-C48 WeakPolarHBondContact O-CB 3.13Å; D45-C48 PolarHBondContact O-N 3.43Å; D45-K53 WeakPolarHBondContact OD1-CA 3.32Å; D45-K53 VanDerWaalsContact OD1-CB 3.29Å; D45-K53 WeakPolarHBondContact OD1-CB 3.34Å; D45-K53 IonicContact OD1-NZ 2.72Å; D45-K53 IonicContact OD2-NZ 3.81Å; D45-K53 PolarHBondContact OD2-NZ 2.98Å; D45-C54 PolarHBondContact OD1-N 3.33Å
46	E	86.2	Confident	82.7	Confident	137 Å²	137	73.3 Å²	73.3	64%	0.64	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-77.2	-27	180	-61.9	-56.8	137	0	0	112.3	D44 C48	D44-E46 PolarHBondContact O-N 2.89Å; D44-E46 WeakPolarHBondContact OD1-CA 3.49Å; D44-E46 VanDerWaalsContact OD1-CB 3.26Å; D44-E46 WeakPolarHBondContact OD1-CB 3.38Å; D44-E46 PolarHBondContact OD1-N 3.22Å; E46-C48 PolarHBondContact O-N 3.38Å
47	D	88.2	Confident	83.5	Confident	84 Å²	84	69.9 Å²	69.9	45%	0.449	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.6	-18.3	169.5	-64.3	-41.9	0	0	0	112.4	C42 F43 D44	C42-D47 HydrophobicContact CB-CB 3.81Å; F43-D47 WeakPolarHBondContact CA-OD2 3.35Å; F43-D47 WeakPolarHBondContact CB-OD2 3.46Å; F43-D47 PolarHBondContact N-OD2 3.27Å; D44-D47 PolarHBondContact N-OD2 3.28Å; D44-D47 VanDerWaalsContact N-OD2 3.07Å; D44-D47 WeakPolarHBondContact O-CB 3.11Å; D44-D47 PolarHBondContact O-N 3.09Å; D44-D47 PolarHBondContact OD1-N 2.89Å; D44-D47 VanDerWaalsContact OD1-N 3.17Å
48	C	84.8	Confident	83.9	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.02	32%	0.321	C	S	.	.	S	Bend	trans	-94.8	136.4	-177.9	-63.5	0	0	0	0	112	R23 D45 E46 W50 R52 C63	R23-C48 VanDerWaalsContact CZ-O 3.25Å; R23-C48 PolarHBondContact NH1-O 2.76Å; R23-C48 PolarHBondContact NH2-O 3.2Å; D45-C48 WeakPolarHBondContact O-CB 3.13Å; D45-C48 PolarHBondContact O-N 3.43Å; E46-C48 PolarHBondContact O-N 3.38Å; C48-W50 PolarHBondContact O-N 3.2Å; C48-R52 HydrophobicContact CB-CB 3.94Å; C48-R52 WeakPolarHBondContact CB-O 3.13Å; C48-C63 WeakPolarHBondContact CA-SG 3.44Å; C48-C63 HydrophobicContact CB-CB 3.67Å; C48-C63 WeakPolarHBondContact CB-SG 3.35Å; C48-C63 WeakPolarHBondContact SG-CA 3.18Å; C48-C63 WeakPolarHBondContact SG-CB 3.32Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.48Å
49	L	83	Confident	84.1	Confident	149 Å²	149	64.3 Å²	64.3	78%	0.78	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-59.9	130.4	167	-90.5	81.9	0	0	0	109.8	R52	L49-R52 WeakPolarHBondContact O-CB 3.16Å; L49-R52 PolarHBondContact O-N 2.81Å
50	W	72.7	Confident	84.3	Confident	127 Å²	127	61 Å²	61	48%	0.481	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	130.2	174.5	-167.6	93.4	0	0	0	110	R23 C48 Y69 P73	R23-W50 VanDerWaalsContact NH1-CA 3.29Å; C48-W50 PolarHBondContact O-N 3.2Å; W50-Y69 HydrophobicContact CZ2-CE1 4.39Å; W50-P73 VanDerWaalsContact CH2-CD 3.45Å; W50-P73 HydrophobicContact CH2-CG 3.24Å; W50-P73 HydrophobicContact CZ2-CG 4.49Å; W50-P73 HydrophobicContact CZ3-CG 3.53Å
51	P	74.7	Confident	84.4	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	cis	-104.7	20.2	18.1	19.2	0.9	0	0	0	114.9	L65 V72 V98	P51-L65 HydrophobicContact CB-CD2 3.97Å; P51-L65 HydrophobicContact CG-CD2 3.67Å; P51-V72 HydrophobicContact CG-CG1 4.23Å; P51-V98 HydrophobicContact CG-CG1 4.16Å
52	R	81.4	Confident	84.5	Confident	80 Å²	80	57.3 Å²	57.3	30%	0.302	28%	0.278	S	S	.	.			trans	-75.3	149.8	-173.2	-71.1	165.3	177	-178	-0.6	112.7	R23 C48 L49 C63 L64 L65 D99	R23-R52 WeakPolarHBondContact CD-O 3.45Å; R23-R52 PolarHBondContact NH1-O 3.4Å; C48-R52 HydrophobicContact CB-CB 3.94Å; C48-R52 WeakPolarHBondContact CB-O 3.13Å; L49-R52 WeakPolarHBondContact O-CB 3.16Å; L49-R52 PolarHBondContact O-N 2.81Å; R52-C63 HydrophobicContact CB-CB 3.91Å; R52-C63 WeakPolarHBondContact CD-O 3.31Å; R52-C63 HydrophobicContact CG-CB 4.49Å; R52-L64 CarbonylContact C-O 3.58Å; R52-L64 VanDerWaalsContact CA-O 3.28Å; R52-L64 WeakPolarHBondContact CA-O 3.46Å; R52-L64 WeakPolarHBondContact CB-O 3.39Å; R52-L65 HydrophobicContact CG-CD2 4.16Å; R52-L65 HydrophobicContact CG-CG 3.85Å; R52-D99 IonicContact CZ-OD1 3.24Å; R52-D99 IonicContact NH2-OD1 2.73Å; R52-D99 PolarHBondContact NH2-OD1 3.17Å; R52-D99 IonicContact NH2-OD2 2.63Å
53	K	87.7	Confident	84.4	Confident	15 Å²	15	58.9 Å²	58.9	7%	0.065	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.7	169.5	-69.4	-178.1	70.9	68.3	0	110	R23 G25 D45 C55 C63 L64 P66	R23-K53 HydrophobicContact CB-CG 4.01Å; R23-K53 PolarHBondContact O-NZ 2.83Å; G25-K53 WeakPolarHBondContact O-CD 3.5Å; G25-K53 WeakPolarHBondContact O-CE 3.45Å; D45-K53 WeakPolarHBondContact OD1-CA 3.32Å; D45-K53 VanDerWaalsContact OD1-CB 3.29Å; D45-K53 WeakPolarHBondContact OD1-CB 3.34Å; D45-K53 IonicContact OD1-NZ 2.72Å; D45-K53 IonicContact OD2-NZ 3.81Å; D45-K53 PolarHBondContact OD2-NZ 2.98Å; K53-C55 PolarHBondContact O-N 3.33Å; K53-C63 CarbonylContact O-C 3.59Å; K53-C63 WeakPolarHBondContact O-CA 3.49Å; K53-L64 PolarHBondContact N-O 3.49Å; K53-L64 PolarHBondContact O-N 3.14Å; K53-P66 HydrophobicContact CD-CB 3.81Å; K53-P66 HydrophobicContact CD-CG 4.04Å; K53-P66 HydrophobicContact CG-CB 4.48Å; K53-P66 HydrophobicContact CG-CG 4.27Å
54	C	90.2	Very high	84	Confident	16 Å²	16	53.7 Å²	53.7	11%	0.108	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	104	172.3	-174.2	0	0	0	0	109.9	C42 D44 D45	C42-C54 HydrophobicContact CB-CB 3.71Å; C42-C54 WeakPolarHBondContact CB-SG 3.39Å; C42-C54 PolarHBondContact O-SG 3.11Å; C42-C54 WeakPolarHBondContact SG-CA 3.39Å; C42-C54 WeakPolarHBondContact SG-CB 3.03Å; C42-C54 CovalentContact SG-SG 2.04Å; C42-C54 PolarHBondContact SG-SG 3.15Å; D44-C54 VanDerWaalsContact C-CB 3.41Å; D44-C54 WeakPolarHBondContact O-CB 3.25Å; D45-C54 PolarHBondContact OD1-N 3.33Å
55	C	88.4	Confident	83.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.1	-173.5	-62.7	0	0	0	0	110.2	C27 K53 Q61 E62 L64	C27-C55 VanDerWaalsContact CA-SG 3.51Å; C27-C55 HydrophobicContact CB-CB 3.68Å; C27-C55 WeakPolarHBondContact CB-SG 3.42Å; C27-C55 WeakPolarHBondContact SG-CA 3.16Å; C27-C55 WeakPolarHBondContact SG-CB 3.28Å; C27-C55 CovalentContact SG-SG 2.04Å; C27-C55 PolarHBondContact SG-SG 3.15Å; K53-C55 PolarHBondContact O-N 3.33Å; C55-Q61 CarbonylContact O-C 3.5Å; C55-Q61 WeakPolarHBondContact O-CA 3.35Å; C55-E62 PolarHBondContact N-O 3.43Å; C55-E62 PolarHBondContact O-N 3.06Å; C55-L64 HydrophobicContact CB-CB 3.95Å; C55-L64 HydrophobicContact CB-CD1 3.74Å; C55-L64 HydrophobicContact CB-CG 3.91Å
56	K	86.7	Confident	83.2	Confident	119 Å²	119	50.1 Å²	50.1	52%	0.517	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	142.5	171.6	-69	176.8	-179.5	179.9	0	109.2	F30 G60 Q61	F30-K56 HydrophobicContact CD1-CB 4.42Å; F30-K56 WeakPolarHBondContact CD1-O 3.32Å; F30-K56 HydrophobicContact CE1-CB 3.46Å; F30-K56 VanDerWaalsContact CE1-CB 3.46Å; F30-K56 WeakPolarHBondContact CE1-O 3.49Å; F30-K56 HydrophobicContact CE2-CB 4.34Å; F30-K56 WeakPolarHBondContact CG-O 3.24Å; F30-K56 HydrophobicContact CZ-CB 3.4Å; F30-K56 VanDerWaalsContact CZ-CB 3.4Å; K56-G60 CarbonylContact C-O 3.38Å; K56-Q61 HydrophobicContact CG-CG 4.01Å
57	T	80.4	Confident	82.3	Confident	13 Å²	13	49.6 Å²	49.6	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	-177.5	171.5	61.7	0	0	0	0	111	T59 G60 E62 L64	T57-T59 PolarHBondContact O-N 3.5Å; T57-T59 PolarHBondContact OG1-OG1 3.04Å; T57-G60 PolarHBondContact N-O 3.4Å; T57-G60 PolarHBondContact O-N 2.99Å; T57-G60 PolarHBondContact OG1-O 2.91Å; T57-E62 VanDerWaalsContact CB-OE1 3.26Å; T57-E62 WeakPolarHBondContact CB-OE1 3.42Å; T57-E62 HydrophobicContact CG2-CG 3.78Å; T57-E62 WeakPolarHBondContact CG2-OE1 3.44Å; T57-E62 PolarHBondContact OG1-OE1 3.09Å; T57-L64 HydrophobicContact CG2-CD1 3.62Å; T57-L64 HydrophobicContact CG2-CG 4.48Å
58	S	78.8	Confident	80.9	Confident	47 Å²	47	48.6 Å²	48.6	33%	0.329	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.5	178.7	42.8	0	0	0	0	113.7	I33 D35	I33-S58 WeakPolarHBondContact O-CB 3.01Å; D35-S58 PolarHBondContact N-O 2.89Å
59	T	79.2	Confident	79.5	Confident	65 Å²	65	50.9 Å²	50.9	40%	0.399	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-2.5	-174.5	50.3	0	0	0	0	113.9	Y38 V39 T57	Y38-T59 WeakPolarHBondContact CA-O 3.4Å; V39-T59 PolarHBondContact N-O 3.49Å; T57-T59 PolarHBondContact O-N 3.5Å; T57-T59 PolarHBondContact OG1-OG1 3.04Å
60	G	83.3	Confident	78	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-151.9	-178.1	0	0	0	0	0	113.7	V39 K56 T57	V39-G60 WeakPolarHBondContact O-CA 3.44Å; K56-G60 CarbonylContact C-O 3.38Å; T57-G60 PolarHBondContact N-O 3.4Å; T57-G60 PolarHBondContact O-N 2.99Å; T57-G60 PolarHBondContact OG1-O 2.91Å
61	Q	87.9	Confident	77.1	Confident	32 Å²	32	46.7 Å²	46.7	15%	0.15	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.5	167.4	-70.2	-177.2	-89.5	0	0	109.5	N40 N41 C42 C55 K56	N40-Q61 HydrophobicContact CB-CB 4.14Å; N40-Q61 PolarHBondContact ND2-OE1 3.12Å; N40-Q61 WeakPolarHBondContact OD1-CG 3.48Å; N40-Q61 PolarHBondContact OD1-N 2.68Å; N40-Q61 VanDerWaalsContact OD1-N 3.17Å; N41-Q61 WeakPolarHBondContact CB-O 3.15Å; N41-Q61 PolarHBondContact N-O 3.17Å; C42-Q61 VanDerWaalsContact O-CB 3.23Å; C42-Q61 WeakPolarHBondContact O-CB 3.07Å; C55-Q61 CarbonylContact O-C 3.5Å; C55-Q61 WeakPolarHBondContact O-CA 3.35Å; K56-Q61 HydrophobicContact CG-CG 4.01Å
62	E	87.8	Confident	76.4	Confident	62 Å²	62	47.8 Å²	47.8	29%	0.29	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154	178.8	64.5	-179	157	0	0	112	C42 C55 T57 L64	C42-E62 VanDerWaalsContact SG-C 3.53Å; C55-E62 PolarHBondContact N-O 3.43Å; C55-E62 PolarHBondContact O-N 3.06Å; T57-E62 VanDerWaalsContact CB-OE1 3.26Å; T57-E62 WeakPolarHBondContact CB-OE1 3.42Å; T57-E62 HydrophobicContact CG2-CG 3.78Å; T57-E62 WeakPolarHBondContact CG2-OE1 3.44Å; T57-E62 PolarHBondContact OG1-OE1 3.09Å; E62-L64 HydrophobicContact CG-CD1 4.4Å; E62-L64 HydrophobicContact CG-CD2 3.71Å; E62-L64 HydrophobicContact CG-CG 3.86Å; E62-L64 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact O-N 3.12Å
63	C	87.8	Confident	75.5	Confident	33 Å²	33	47.1 Å²	47.1	22%	0.223	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	98.2	-179.9	-65.9	0	0	0	0	110.7	C48 R52 K53	C48-C63 WeakPolarHBondContact CA-SG 3.44Å; C48-C63 HydrophobicContact CB-CB 3.67Å; C48-C63 WeakPolarHBondContact CB-SG 3.35Å; C48-C63 WeakPolarHBondContact SG-CA 3.18Å; C48-C63 WeakPolarHBondContact SG-CB 3.32Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.48Å; R52-C63 HydrophobicContact CB-CB 3.91Å; R52-C63 WeakPolarHBondContact CD-O 3.31Å; R52-C63 HydrophobicContact CG-CB 4.49Å; K53-C63 CarbonylContact O-C 3.59Å; K53-C63 WeakPolarHBondContact O-CA 3.49Å
64	L	82.9	Confident	74.8	Confident	41 Å²	41	54.1 Å²	54.1	22%	0.215	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	158.5	178.1	-59.7	-175	0	0	0	111.5	P28 R52 K53 C55 T57 E62	P28-L64 HydrophobicContact CG-CB 4.38Å; P28-L64 HydrophobicContact CG-CD1 4.08Å; R52-L64 CarbonylContact C-O 3.58Å; R52-L64 VanDerWaalsContact CA-O 3.28Å; R52-L64 WeakPolarHBondContact CA-O 3.46Å; R52-L64 WeakPolarHBondContact CB-O 3.39Å; K53-L64 PolarHBondContact N-O 3.49Å; K53-L64 PolarHBondContact O-N 3.14Å; C55-L64 HydrophobicContact CB-CB 3.95Å; C55-L64 HydrophobicContact CB-CD1 3.74Å; C55-L64 HydrophobicContact CB-CG 3.91Å; T57-L64 HydrophobicContact CG2-CD1 3.62Å; T57-L64 HydrophobicContact CG2-CG 4.48Å; E62-L64 HydrophobicContact CG-CD1 4.4Å; E62-L64 HydrophobicContact CG-CD2 3.71Å; E62-L64 HydrophobicContact CG-CG 3.86Å; E62-L64 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact O-N 3.12Å
65	L	77	Confident	74.5	Confident	19 Å²	19	55.6 Å²	55.6	10%	0.099	31%	0.31	C	S	.	.			trans	-81	136.3	168.5	-80.5	155.8	0	0	0	110.4	P28 P51 R52 V72 Y96	P28-L65 WeakPolarHBondContact CG-O 3.39Å; P51-L65 HydrophobicContact CB-CD2 3.97Å; P51-L65 HydrophobicContact CG-CD2 3.67Å; R52-L65 HydrophobicContact CG-CD2 4.16Å; R52-L65 HydrophobicContact CG-CG 3.85Å; L65-V72 HydrophobicContact CD2-CG2 4.41Å; L65-Y96 HydrophobicContact CB-CE2 4.16Å; L65-Y96 HydrophobicContact CD1-CD1 4.25Å; L65-Y96 HydrophobicContact CD1-CD2 2.94Å; L65-Y96 HydrophobicContact CD1-CE1 4.25Å; L65-Y96 HydrophobicContact CD1-CE2 2.98Å; L65-Y96 HydrophobicContact CD1-CG 3.63Å; L65-Y96 HydrophobicContact CG-CD2 4.37Å; L65-Y96 HydrophobicContact CG-CE2 4.13Å
66	P	77.7	Confident	74.3	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.052	34%	0.344	C	S	.	.			trans	-64.4	141.8	175.7	20.5	-29.1	0	0	0	112.3	A24 T26 K53 S68 Y69	A24-P66 WeakPolarHBondContact O-CG 3.41Å; T26-P66 CarbonylContact O-C 3.33Å; T26-P66 WeakPolarHBondContact O-CA 3.45Å; T26-P66 WeakPolarHBondContact O-CB 3.35Å; K53-P66 HydrophobicContact CD-CB 3.81Å; K53-P66 HydrophobicContact CD-CG 4.04Å; K53-P66 HydrophobicContact CG-CB 4.48Å; K53-P66 HydrophobicContact CG-CG 4.27Å; P66-S68 VanDerWaalsContact C-N 3.25Å; P66-S68 PolarHBondContact O-N 3.03Å; P66-Y69 HydrophobicContact CB-CD2 4.28Å; P66-Y69 HydrophobicContact CG-CD2 3.27Å; P66-Y69 HydrophobicContact CG-CE2 3.96Å; P66-Y69 HydrophobicContact CG-CG 4.07Å
67	E	67.4	Low	74	Confident	126 Å²	126	55.9 Å²	55.9	59%	0.589	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.2	178.1	-84.5	-176.1	148.2	0	0	113.5	T26 P28 P29	T26-E67 PolarHBondContact O-N 3.36Å; P28-E67 HydrophobicContact CB-CG 4.13Å; P28-E67 HydrophobicContact CG-CG 4.25Å; P29-E67 WeakPolarHBondContact CD-OE1 3.15Å; P29-E67 VanDerWaalsContact CD-OE2 3.31Å; P29-E67 WeakPolarHBondContact CD-OE2 2.99Å
68	S	59.9	Low	74.1	Confident	62 Å²	62	59.7 Å²	59.7	43%	0.434	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	29	-168.6	51.4	0	0	0	0	113.7	G25 T26 P66 P70	G25-S68 VanDerWaalsContact CA-OG 3.29Å; G25-S68 WeakPolarHBondContact CA-OG 3.4Å; T26-S68 PolarHBondContact N-OG 2.9Å; T26-S68 PolarHBondContact OG1-OG 2.73Å; P66-S68 VanDerWaalsContact C-N 3.25Å; P66-S68 PolarHBondContact O-N 3.03Å; S68-P70 WeakPolarHBondContact O-CD 3.43Å
69	Y	54.3	Low	74.4	Confident	52 Å²	52	59.6 Å²	59.6	20%	0.204	35%	0.354	C	S	.	.			trans	-72.1	125.6	173.6	-132.8	-100.9	0	0	0	111	A24 W50 P66 A71	A24-Y69 HydrophobicContact CB-CD2 4.18Å; A24-Y69 HydrophobicContact CB-CE2 3.68Å; A24-Y69 WeakPolarHBondContact O-CD2 3.31Å; A24-Y69 WeakPolarHBondContact O-CE2 2.98Å; W50-Y69 HydrophobicContact CZ2-CE1 4.39Å; P66-Y69 HydrophobicContact CB-CD2 4.28Å; P66-Y69 HydrophobicContact CG-CD2 3.27Å; P66-Y69 HydrophobicContact CG-CE2 3.96Å; P66-Y69 HydrophobicContact CG-CG 4.07Å; Y69-A71 PolarHBondContact O-N 3.2Å
70	P	52.6	Low	74.5	Confident	103 Å²	103	58.1 Å²	58.1	67%	0.669	35%	0.345	S	S	*	.	S	Bend	trans	-66	106.3	165.5	26.9	-28.4	0	0	0	107.6	S68	S68-P70 WeakPolarHBondContact O-CD 3.43Å
71	A	54.3	Low	73.8	Confident	84 Å²	84	61.4 Å²	61.4	69%	0.694	36%	0.36	S	S	*	.			trans	45.7	92.6	175.6	0	0	0	0	0	115.2	Y69 P73	Y69-A71 PolarHBondContact O-N 3.2Å; A71-P73 VanDerWaalsContact O-N 3.17Å
72	V	59.5	Low	73	Confident	25 Å²	25	62.9 Å²	62.9	15%	0.152	37%	0.368	C	S	.	.			trans	-44.9	125.4	158.8	178.9	0	0	0	0	107.7	P51 L65 Q74 Y96	P51-V72 HydrophobicContact CG-CG1 4.23Å; L65-V72 HydrophobicContact CD2-CG2 4.41Å; V72-Q74 PolarHBondContact O-N 3.39Å; V72-Y96 HydrophobicContact CB-CD1 4.11Å; V72-Y96 HydrophobicContact CG1-CD1 3.94Å; V72-Y96 HydrophobicContact CG1-CG 4.28Å; V72-Y96 HydrophobicContact CG2-CD1 3.93Å; V72-Y96 HydrophobicContact CG2-CE1 3.94Å
73	P	62.9	Low	71.8	Confident	66 Å²	66	64.3 Å²	64.3	43%	0.429	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-55.6	121.3	-175.3	-27.4	34.6	0	0	0	110.3	W50 A71	W50-P73 VanDerWaalsContact CH2-CD 3.45Å; W50-P73 HydrophobicContact CH2-CG 3.24Å; W50-P73 HydrophobicContact CZ2-CG 4.49Å; W50-P73 HydrophobicContact CZ3-CG 3.53Å; A71-P73 VanDerWaalsContact O-N 3.17Å
74	Q	71.4	Confident	70.8	Confident	162 Å²	162	63.8 Å²	63.8	76%	0.757	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-86.6	134.5	172.6	-64	-170.8	0.3	0	0	107.6	V72 D97	V72-Q74 PolarHBondContact O-N 3.39Å; Q74-D97 WeakPolarHBondContact CA-OD2 3.35Å
75	K	84	Confident	70.3	Confident	47 Å²	47	63.8 Å²	63.8	20%	0.204	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-67.5	152.6	170.4	-69.4	172.9	-172.6	176.5	0	109.3	D97 C100 S102 K104 K105	K75-D97 HydrophobicContact CB-CB 4.31Å; K75-D97 HydrophobicContact CD-CB 4.12Å; K75-D97 WeakPolarHBondContact CE-O 3.38Å; K75-D97 HydrophobicContact CG-CB 4Å; K75-D97 PolarHBondContact N-OD2 3.13Å; K75-D97 PolarHBondContact NZ-O 3.29Å; K75-C100 PolarHBondContact NZ-O 2.68Å; K75-S102 WeakPolarHBondContact CE-O 3.49Å; K75-S102 PolarHBondContact NZ-O 2.74Å; K75-K104 WeakPolarHBondContact CD-O 2.97Å; K75-K104 WeakPolarHBondContact CE-O 3.31Å; K75-K104 PolarHBondContact NZ-O 2.63Å; K75-K105 HydrophobicContact CB-CG 4Å; K75-K105 PolarHBondContact O-NZ 2.93Å
76	A	84.2	Confident	70.4	Confident	88 Å²	88	68.3 Å²	68.3	73%	0.727	39%	0.393	S	S	*	.	S	Bend	trans	-59.3	153.3	179.7	0	0	0	0	0	112.2	P118	A76-P118 VanDerWaalsContact O-CB 3.27Å; A76-P118 WeakPolarHBondContact O-CB 3.39Å; A76-P118 WeakPolarHBondContact O-CG 3.22Å
77	G	80.8	Confident	70.2	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	42%	0.415	S	S	.	.	S	Bend	trans	82	-178.7	-177.3	0	0	0	0	0	113.9	K105	G77-K105 VanDerWaalsContact O-CD 3.26Å; G77-K105 WeakPolarHBondContact O-CD 3.31Å; G77-K105 WeakPolarHBondContact O-CE 3Å
78	Q	82.8	Confident	70.3	Confident	93 Å²	93	73 Å²	73	44%	0.435	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-115.8	152.5	-175.6	-67.7	178.3	-11.9	0	0	110.9	P118 T119	Q78-P118 WeakPolarHBondContact O-CA 3.47Å; Q78-T119 PolarHBondContact N-O 3.49Å; Q78-T119 PolarHBondContact O-N 3.37Å; Q78-T119 PolarHBondContact O-OG1 3.13Å
79	C	85.1	Confident	71.2	Confident	45 Å²	45	77.5 Å²	77.5	30%	0.304	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-66.5	141.7	172.5	-81.6	0	0	0	0	110.6	Q81 C107	C79-Q81 PolarHBondContact O-N 3.24Å; C79-C107 WeakPolarHBondContact CA-SG 2.81Å; C79-C107 HydrophobicContact CB-CB 3.57Å; C79-C107 WeakPolarHBondContact CB-SG 3Å; C79-C107 WeakPolarHBondContact SG-CA 3.35Å; C79-C107 WeakPolarHBondContact SG-CB 3.05Å; C79-C107 CovalentContact SG-SG 2.03Å; C79-C107 PolarHBondContact SG-SG 2.74Å
80	P	80	Confident	72.2	Confident	33 Å²	33	76 Å²	76	21%	0.214	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-51.8	137.5	168.5	-25.3	34.7	0	0	0	111.1	M82 M116 T119 Y125	P80-M82 PolarHBondContact O-N 3.41Å; P80-M116 HydrophobicContact CB-CE 4.17Å; P80-M116 HydrophobicContact CB-SD 4.48Å; P80-M116 HydrophobicContact CG-CB 4.22Å; P80-M116 HydrophobicContact CG-CE 3.95Å; P80-M116 HydrophobicContact CG-SD 4.2Å; P80-T119 HydrophobicContact CG-CG2 4.32Å; P80-Y125 WeakPolarHBondContact CA-OH 3.22Å
81	Q	69.5	Low	73.6	Confident	70 Å²	70	78.2 Å²	78.2	33%	0.327	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-63.6	127.7	177	-175.9	171.1	6.2	0	0	110	C79	C79-Q81 PolarHBondContact O-N 3.24Å
82	M	70.5	Confident	75.2	Confident	64 Å²	64	77 Å²	77	32%	0.315	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-76.8	128.7	172.7	-176.5	-173	65.6	0	0	109.8	P80 G84 E108 V110	P80-M82 PolarHBondContact O-N 3.41Å; M82-G84 VanDerWaalsContact CE-O 3.32Å; M82-G84 WeakPolarHBondContact CE-O 3.23Å; M82-E108 HydrophobicContact CE-CG 4.42Å; M82-E108 HydrophobicContact SD-CG 4.06Å; M82-V110 HydrophobicContact CG-CG1 4.21Å; M82-V110 HydrophobicContact SD-CG1 4.33Å; M82-V110 PolarHBondContact SD-N 2.03Å
83	F	63.7	Low	76.7	Confident	91 Å²	91	85.3 Å²	85.3	40%	0.399	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-93.9	134.5	166.2	-61.8	-82	0	0	0	109.5	V110 K127	F83-V110 WeakPolarHBondContact O-CG1 3.41Å; F83-K127 HydrophobicContact CE1-CG 4.45Å
84	G	65.7	Low	77.8	Confident	23 Å²	23	82.4 Å²	82.4	24%	0.237	44%	0.436	C	S	.	.	S	Bend	trans	86.5	-160	-175.9	0	0	0	0	0	114.2	M82	M82-G84 VanDerWaalsContact CE-O 3.32Å; M82-G84 WeakPolarHBondContact CE-O 3.23Å
85	S	72.7	Confident	78.4	Confident	40 Å²	40	78 Å²	78	28%	0.28	42%	0.421	S	S	.	.			trans	-125.7	154.1	-177.4	46.9	0	0	0	0	111.5	L87 Y195	S85-L87 PolarHBondContact O-N 3.33Å; S85-Y195 WeakPolarHBondContact OG-CA 3.3Å; S85-Y195 WeakPolarHBondContact OG-CB 3.37Å; S85-Y195 PolarHBondContact OG-O 3Å
86	R	79.7	Confident	78.3	Confident	115 Å²	115	79.9 Å²	79.9	43%	0.434	43%	0.427	S	S	.	.			trans	-58.5	124.8	178.5	-169.9	180	-169.5	-142.1	1.9	110.2	A90 D92 E108	R86-A90 HydrophobicContact CG-CB 3.44Å; R86-A90 VanDerWaalsContact CG-CB 3.44Å; R86-D92 IonicContact CZ-OD1 2.68Å; R86-D92 IonicContact CZ-OD2 3.38Å; R86-D92 IonicContact NE-OD1 2.68Å; R86-D92 IonicContact NH2-OD1 2.98Å; R86-D92 PolarHBondContact NH2-OD1 3.06Å; R86-D92 IonicContact NH2-OD2 2.72Å; R86-D92 PolarHBondContact NH2-OD2 2.85Å; R86-E108 VanDerWaalsContact CD-OE1 3.3Å; R86-E108 WeakPolarHBondContact CD-OE1 3.39Å; R86-E108 IonicContact NE-OE1 2.7Å; R86-E108 PolarHBondContact NE-OE1 3.28Å
87	L	72.8	Confident	78.4	Confident	100 Å²	100	76.5 Å²	76.5	52%	0.524	40%	0.397	S	S	.	.			trans	-64.5	148.5	178.7	-69.4	168.7	0	0	0	110.8	S85 N89 A90 V110	S85-L87 PolarHBondContact O-N 3.33Å; L87-N89 PolarHBondContact O-N 3.24Å; L87-N89 VanDerWaalsContact O-N 3.09Å; L87-A90 WeakPolarHBondContact O-CB 3.44Å; L87-A90 PolarHBondContact O-N 2.79Å; L87-V110 VanDerWaalsContact CB-O 3.29Å; L87-V110 WeakPolarHBondContact CB-O 3.13Å; L87-V110 VanDerWaalsContact CG-O 3.23Å; L87-V110 WeakPolarHBondContact CG-O 3.46Å; L87-V110 PolarHBondContact N-O 3.31Å
88	P	70.6	Confident	78.5	Confident	131 Å²	131	77.3 Å²	77.3	85%	0.851	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.8	178.3	-27.5	34.9	0	0	0	114.7
89	N	77.6	Confident	78.6	Confident	157 Å²	157	75.1 Å²	75.1	84%	0.84	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	20.7	-179.5	-56.4	-10.3	0	0	0	112.2	L87	L87-N89 PolarHBondContact O-N 3.24Å; L87-N89 VanDerWaalsContact O-N 3.09Å
90	A	76.3	Confident	78.7	Confident	21 Å²	21	73.4 Å²	73.4	17%	0.174	37%	0.374	C	S	.	.			trans	-60.7	140.2	176.2	0	0	0	0	0	111	R86 L87 A111	R86-A90 HydrophobicContact CG-CB 3.44Å; R86-A90 VanDerWaalsContact CG-CB 3.44Å; L87-A90 WeakPolarHBondContact O-CB 3.44Å; L87-A90 PolarHBondContact O-N 2.79Å; A90-A111 WeakPolarHBondContact CA-O 3.25Å
91	F	81.9	Confident	79.1	Confident	150 Å²	150	76.7 Å²	76.7	66%	0.658	39%	0.393	S	S	*	.			trans	-125.8	126.2	-178.8	-178.2	-93.9	0	0	0	110.3	R93 A111	F91-R93 HydrophobicContact CD1-CG 4.19Å; F91-R93 PolarHBondContact O-N 2.86Å; F91-A111 PolarHBondContact N-O 3.32Å
92	D	88.5	Confident	79.8	Confident	58 Å²	58	78.1 Å²	78.1	31%	0.31	41%	0.411	S	S	.	.			trans	-82.3	114.9	-178.3	-64.9	-20.6	0	0	0	110.5	R86 K113	R86-D92 IonicContact CZ-OD1 2.68Å; R86-D92 IonicContact CZ-OD2 3.38Å; R86-D92 IonicContact NE-OD1 2.68Å; R86-D92 IonicContact NH2-OD1 2.98Å; R86-D92 PolarHBondContact NH2-OD1 3.06Å; R86-D92 IonicContact NH2-OD2 2.72Å; R86-D92 PolarHBondContact NH2-OD2 2.85Å; D92-K113 HydrophobicContact CB-CB 3.97Å; D92-K113 PolarHBondContact OD1-N 3.4Å
93	R	89.2	Confident	80.6	Confident	200 Å²	200	78.1 Å²	78.1	76%	0.755	42%	0.418	S	S	*	.	S	Bend	trans	-88.7	-12.3	177.7	-59.2	-179.6	178.8	-143.1	-1.2	112.9	F91 K113	F91-R93 HydrophobicContact CD1-CG 4.19Å; F91-R93 PolarHBondContact O-N 2.86Å; R93-K113 PolarHBondContact N-O 3.35Å
94	C	87.6	Confident	81.8	Confident	4 Å²	4	77 Å²	77	3%	0.027	41%	0.413	C	S	.	.			trans	-147.2	159	175.2	62.4	0	0	0	0	108	D99 C106 K113 T114	C94-D99 HydrophobicContact CB-CB 3.94Å; C94-C106 HydrophobicContact CB-CB 3.78Å; C94-C106 WeakPolarHBondContact CB-SG 3.25Å; C94-C106 PolarHBondContact O-SG 3.47Å; C94-C106 WeakPolarHBondContact SG-CA 3.25Å; C94-C106 WeakPolarHBondContact SG-CB 2.98Å; C94-C106 CovalentContact SG-SG 2.03Å; C94-C106 PolarHBondContact SG-SG 2.67Å; C94-K113 VanDerWaalsContact O-CB 3.24Å; C94-K113 WeakPolarHBondContact O-CB 3.41Å; C94-T114 VanDerWaalsContact SG-C 3.53Å
95	T	83.5	Confident	83	Confident	71 Å²	71	76.5 Å²	76.5	44%	0.436	40%	0.404	S	S	.	.	S	Bend	trans	-115.7	-33.3	173.3	-47	0	0	0	0	111	D99 K113	T95-D99 WeakPolarHBondContact CA-OD2 3.44Å; T95-D99 PolarHBondContact N-OD2 3.4Å; T95-K113 PolarHBondContact O-NZ 2.87Å
96	Y	81	Confident	83.8	Confident	86 Å²	86	75.4 Å²	75.4	34%	0.337	40%	0.396	S	S	.	.	S	Bend	trans	-139.3	161.5	-178.2	-57.3	-95.5	0	0	0	111.7	L65 V72 V98 D99 C106	L65-Y96 HydrophobicContact CB-CE2 4.16Å; L65-Y96 HydrophobicContact CD1-CD1 4.25Å; L65-Y96 HydrophobicContact CD1-CD2 2.94Å; L65-Y96 HydrophobicContact CD1-CE1 4.25Å; L65-Y96 HydrophobicContact CD1-CE2 2.98Å; L65-Y96 HydrophobicContact CD1-CG 3.63Å; L65-Y96 HydrophobicContact CG-CD2 4.37Å; L65-Y96 HydrophobicContact CG-CE2 4.13Å; V72-Y96 HydrophobicContact CB-CD1 4.11Å; V72-Y96 HydrophobicContact CG1-CD1 3.94Å; V72-Y96 HydrophobicContact CG1-CG 4.28Å; V72-Y96 HydrophobicContact CG2-CD1 3.93Å; V72-Y96 HydrophobicContact CG2-CE1 3.94Å; Y96-V98 PolarHBondContact O-N 2.03Å; Y96-V98 VanDerWaalsContact O-N 3.11Å; Y96-D99 PolarHBondContact N-OD2 3.42Å; Y96-D99 VanDerWaalsContact O-CB 3.3Å; Y96-D99 WeakPolarHBondContact O-CB 3.16Å; Y96-D99 PolarHBondContact O-N 3.33Å; Y96-C106 WeakPolarHBondContact O-CB 2.99Å
97	D	86.8	Confident	84.3	Confident	16 Å²	16	70 Å²	70	9%	0.086	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-56	-31	-179.9	-70	-7.7	0	0	0	113.4	Q74 K75 D99 C100 K105 C106	Q74-D97 WeakPolarHBondContact CA-OD2 3.35Å; K75-D97 HydrophobicContact CB-CB 4.31Å; K75-D97 HydrophobicContact CD-CB 4.12Å; K75-D97 WeakPolarHBondContact CE-O 3.38Å; K75-D97 HydrophobicContact CG-CB 4Å; K75-D97 PolarHBondContact N-OD2 3.13Å; K75-D97 PolarHBondContact NZ-O 3.29Å; D97-D99 PolarHBondContact O-N 2.85Å; D97-C100 WeakPolarHBondContact O-CB 3.46Å; D97-C100 PolarHBondContact O-N 2.75Å; D97-C100 VanDerWaalsContact O-N 3.1Å; D97-K105 VanDerWaalsContact OD1-CA 3.26Å; D97-K105 WeakPolarHBondContact OD1-CA 3.39Å; D97-K105 VanDerWaalsContact OD1-CB 3.31Å; D97-K105 WeakPolarHBondContact OD1-CB 3.42Å; D97-K105 IonicContact OD2-NZ 3.4Å; D97-K105 PolarHBondContact OD2-NZ 2.87Å; D97-C106 PolarHBondContact OD1-N 2.95Å
98	V	82.4	Confident	85	Confident	55 Å²	55	68.4 Å²	68.4	33%	0.333	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-67.4	-21.4	178	70	0	0	0	0	113.3	P51 Y96 C100	P51-V98 HydrophobicContact CG-CG1 4.16Å; Y96-V98 PolarHBondContact O-N 2.03Å; Y96-V98 VanDerWaalsContact O-N 3.11Å; V98-C100 PolarHBondContact O-N 3.38Å
99	D	84.6	Confident	85.5	Confident	48 Å²	48	63.4 Å²	63.4	26%	0.257	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-74.6	-15.5	174.5	-55.1	-36.2	0	0	0	111.8	R52 C94 T95 Y96 D97	R52-D99 IonicContact CZ-OD1 3.24Å; R52-D99 IonicContact NH2-OD1 2.73Å; R52-D99 PolarHBondContact NH2-OD1 3.17Å; R52-D99 IonicContact NH2-OD2 2.63Å; C94-D99 HydrophobicContact CB-CB 3.94Å; T95-D99 WeakPolarHBondContact CA-OD2 3.44Å; T95-D99 PolarHBondContact N-OD2 3.4Å; Y96-D99 PolarHBondContact N-OD2 3.42Å; Y96-D99 VanDerWaalsContact O-CB 3.3Å; Y96-D99 WeakPolarHBondContact O-CB 3.16Å; Y96-D99 PolarHBondContact O-N 3.33Å; D97-D99 PolarHBondContact O-N 2.85Å
100	C	87.8	Confident	85.6	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.054	31%	0.31	C	S	.	.	S	Bend	trans	-93.4	143.1	-179.9	-61.6	0	0	0	0	110.7	K75 D97 V98 K104 C115	K75-C100 PolarHBondContact NZ-O 2.68Å; D97-C100 WeakPolarHBondContact O-CB 3.46Å; D97-C100 PolarHBondContact O-N 2.75Å; D97-C100 VanDerWaalsContact O-N 3.1Å; V98-C100 PolarHBondContact O-N 3.38Å; C100-K104 HydrophobicContact CB-CB 3.92Å; C100-K104 WeakPolarHBondContact CB-O 3.22Å; C100-C115 WeakPolarHBondContact CA-SG 3.49Å; C100-C115 HydrophobicContact CB-CB 3.63Å; C100-C115 WeakPolarHBondContact CB-SG 3.47Å; C100-C115 WeakPolarHBondContact SG-CA 3.47Å; C100-C115 WeakPolarHBondContact SG-CB 3.28Å; C100-C115 CovalentContact SG-SG 2.03Å; C100-C115 PolarHBondContact SG-SG 2.93Å
101	T	88.8	Confident	85.9	Confident	102 Å²	102	60.7 Å²	60.7	63%	0.626	33%	0.326	S	S	*	.	S	Bend	trans	-74.7	158.5	173.7	60.3	0	0	0	0	111.1	K104	T101-K104 WeakPolarHBondContact O-CB 3.05Å; T101-K104 PolarHBondContact O-N 2.77Å
102	S	85	Confident	86	Confident	100 Å²	100	53.6 Å²	53.6	70%	0.699	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-143.5	172.5	-47.4	0	0	0	0	113.4	K75 K104	K75-S102 WeakPolarHBondContact CE-O 3.49Å; K75-S102 PolarHBondContact NZ-O 2.74Å; S102-K104 VanDerWaalsContact C-N 3.29Å; S102-K104 PolarHBondContact O-N 2.88Å
103	S	85.6	Confident	86	Confident	65 Å²	65	53.8 Å²	53.8	46%	0.455	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.7	176.4	41.3	0	0	0	0	114.9	E117 P118	S103-E117 PolarHBondContact OG-OE2 2.69Å; S103-P118 VanDerWaalsContact O-CD 3.25Å; S103-P118 WeakPolarHBondContact O-CD 2.95Å; S103-P118 WeakPolarHBondContact O-CG 3.13Å
104	K	89.5	Confident	86.1	Confident	68 Å²	68	46.3 Å²	46.3	30%	0.296	27%	0.27	S	S	.	.			trans	-65.5	135.5	-170.5	-66.4	-179.1	-178.9	178.1	0	113.2	K75 C100 T101 S102 C115 M116 E117	K75-K104 WeakPolarHBondContact CD-O 2.97Å; K75-K104 WeakPolarHBondContact CE-O 3.31Å; K75-K104 PolarHBondContact NZ-O 2.63Å; C100-K104 HydrophobicContact CB-CB 3.92Å; C100-K104 WeakPolarHBondContact CB-O 3.22Å; T101-K104 WeakPolarHBondContact O-CB 3.05Å; T101-K104 PolarHBondContact O-N 2.77Å; S102-K104 VanDerWaalsContact C-N 3.29Å; S102-K104 PolarHBondContact O-N 2.88Å; K104-C115 HydrophobicContact CB-CB 4.2Å; K104-C115 HydrophobicContact CD-CB 4.24Å; K104-M116 CarbonylContact C-O 3.48Å; K104-M116 WeakPolarHBondContact CA-O 3.38Å; K104-M116 WeakPolarHBondContact CB-O 3.36Å; K104-E117 WeakPolarHBondContact CE-OE1 3.48Å; K104-E117 HydrophobicContact CG-CG 4.39Å; K104-E117 WeakPolarHBondContact CG-OE1 3.38Å
105	K	90.7	Very high	86.3	Confident	12 Å²	12	48 Å²	48	5%	0.052	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	154.2	173.4	-68	178.6	71.2	69.8	0	111.1	K75 G77 D97 C107 C115 M116 P118	K75-K105 HydrophobicContact CB-CG 4Å; K75-K105 PolarHBondContact O-NZ 2.93Å; G77-K105 VanDerWaalsContact O-CD 3.26Å; G77-K105 WeakPolarHBondContact O-CD 3.31Å; G77-K105 WeakPolarHBondContact O-CE 3Å; D97-K105 VanDerWaalsContact OD1-CA 3.26Å; D97-K105 WeakPolarHBondContact OD1-CA 3.39Å; D97-K105 VanDerWaalsContact OD1-CB 3.31Å; D97-K105 WeakPolarHBondContact OD1-CB 3.42Å; D97-K105 IonicContact OD2-NZ 3.4Å; D97-K105 PolarHBondContact OD2-NZ 2.87Å; K105-C107 PolarHBondContact O-N 2.8Å; K105-C107 PolarHBondContact O-SG 2.61Å; K105-C115 CarbonylContact O-C 3.58Å; K105-C115 WeakPolarHBondContact O-CA 3.48Å; K105-M116 PolarHBondContact N-O 2.79Å; K105-M116 PolarHBondContact O-N 2.03Å; K105-P118 HydrophobicContact CD-CB 3.65Å; K105-P118 HydrophobicContact CG-CB 3.99Å
106	C	89.8	Confident	86.6	Confident	17 Å²	17	47.7 Å²	47.7	12%	0.115	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	104	174.4	-177.6	0	0	0	0	110	C94 Y96 D97	C94-C106 HydrophobicContact CB-CB 3.78Å; C94-C106 WeakPolarHBondContact CB-SG 3.25Å; C94-C106 PolarHBondContact O-SG 3.47Å; C94-C106 WeakPolarHBondContact SG-CA 3.25Å; C94-C106 WeakPolarHBondContact SG-CB 2.98Å; C94-C106 CovalentContact SG-SG 2.03Å; C94-C106 PolarHBondContact SG-SG 2.67Å; Y96-C106 WeakPolarHBondContact O-CB 2.99Å; D97-C106 PolarHBondContact OD1-N 2.95Å
107	C	90.2	Very high	86.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.2	-166.7	-58.3	0	0	0	0	111.7	C79 K105 K113 T114 M116	C79-C107 WeakPolarHBondContact CA-SG 2.81Å; C79-C107 HydrophobicContact CB-CB 3.57Å; C79-C107 WeakPolarHBondContact CB-SG 3Å; C79-C107 WeakPolarHBondContact SG-CA 3.35Å; C79-C107 WeakPolarHBondContact SG-CB 3.05Å; C79-C107 CovalentContact SG-SG 2.03Å; C79-C107 PolarHBondContact SG-SG 2.74Å; K105-C107 PolarHBondContact O-N 2.8Å; K105-C107 PolarHBondContact O-SG 2.61Å; C107-K113 CarbonylContact O-C 3.53Å; C107-K113 VanDerWaalsContact O-CA 3.28Å; C107-K113 WeakPolarHBondContact O-CA 3.25Å; C107-T114 PolarHBondContact N-O 2.97Å; C107-T114 PolarHBondContact O-N 3.32Å; C107-M116 HydrophobicContact CB-CB 4.2Å; C107-M116 HydrophobicContact CB-CG 4.05Å; C107-M116 HydrophobicContact CB-SD 3.91Å
108	E	88	Confident	86.8	Confident	66 Å²	66	48.8 Å²	48.8	31%	0.308	29%	0.286	S	S	.	.			trans	-67.1	132.8	173.5	-170.3	65.9	-121.3	0	0	110.2	M82 R86	M82-E108 HydrophobicContact CE-CG 4.42Å; M82-E108 HydrophobicContact SD-CG 4.06Å; R86-E108 VanDerWaalsContact CD-OE1 3.3Å; R86-E108 WeakPolarHBondContact CD-OE1 3.39Å; R86-E108 IonicContact NE-OE1 2.7Å; R86-E108 PolarHBondContact NE-OE1 3.28Å
109	T	81.7	Confident	86.2	Confident	26 Å²	26	48 Å²	48	16%	0.16	28%	0.281	C	S	.	.			trans	-136.2	169.2	173.9	74.1	0	0	0	0	110.4	A111 G112 T114 M116	T109-A111 PolarHBondContact O-N 2.8Å; T109-A111 PolarHBondContact OG1-N 2.98Å; T109-G112 PolarHBondContact N-O 3.48Å; T109-G112 VanDerWaalsContact N-O 3.16Å; T109-G112 PolarHBondContact O-N 2.81Å; T109-G112 PolarHBondContact OG1-O 3.14Å; T109-T114 HydrophobicContact CG2-CG2 3.38Å; T109-M116 HydrophobicContact CG2-SD 3.56Å; T109-M116 VanDerWaalsContact CG2-SD 3.56Å
110	V	79.7	Confident	85	Confident	62 Å²	62	50.4 Å²	50.4	38%	0.376	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.7	176.6	-62.9	0	0	0	0	113	M82 F83 L87	M82-V110 HydrophobicContact CG-CG1 4.21Å; M82-V110 HydrophobicContact SD-CG1 4.33Å; M82-V110 PolarHBondContact SD-N 2.03Å; F83-V110 WeakPolarHBondContact O-CG1 3.41Å; L87-V110 VanDerWaalsContact CB-O 3.29Å; L87-V110 WeakPolarHBondContact CB-O 3.13Å; L87-V110 VanDerWaalsContact CG-O 3.23Å; L87-V110 WeakPolarHBondContact CG-O 3.46Å; L87-V110 PolarHBondContact N-O 3.31Å
111	A	82.4	Confident	83.3	Confident	60 Å²	60	56 Å²	56	50%	0.496	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.9	179	0	0	0	0	0	114.2	A90 F91 T109	A90-A111 WeakPolarHBondContact CA-O 3.25Å; F91-A111 PolarHBondContact N-O 3.32Å; T109-A111 PolarHBondContact O-N 2.8Å; T109-A111 PolarHBondContact OG1-N 2.98Å
112	G	83.2	Confident	81.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.01	34%	0.338	C	S	.	.	S	Bend	trans	108.2	180	-174.4	0	0	0	0	0	112.7	T109 T114	T109-G112 PolarHBondContact N-O 3.48Å; T109-G112 VanDerWaalsContact N-O 3.16Å; T109-G112 PolarHBondContact O-N 2.81Å; T109-G112 PolarHBondContact OG1-O 3.14Å; G112-T114 PolarHBondContact O-N 2.98Å
113	K	89.1	Confident	79.2	Confident	62 Å²	62	55.4 Å²	55.4	27%	0.27	33%	0.326	S	S	.	.			trans	-65.6	128.9	178.9	-70.7	-176.3	174.5	-174.9	0	111.5	D92 R93 C94 T95 C107	D92-K113 HydrophobicContact CB-CB 3.97Å; D92-K113 PolarHBondContact OD1-N 3.4Å; R93-K113 PolarHBondContact N-O 3.35Å; C94-K113 VanDerWaalsContact O-CB 3.24Å; C94-K113 WeakPolarHBondContact O-CB 3.41Å; T95-K113 PolarHBondContact O-NZ 2.87Å; C107-K113 CarbonylContact O-C 3.53Å; C107-K113 VanDerWaalsContact O-CA 3.28Å; C107-K113 WeakPolarHBondContact O-CA 3.25Å
114	T	90.7	Very high	77.4	Confident	43 Å²	43	58 Å²	58	26%	0.264	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.8	178.7	-175.3	0	0	0	0	111.5	C94 C107 T109 G112 M116	C94-T114 VanDerWaalsContact SG-C 3.53Å; C107-T114 PolarHBondContact N-O 2.97Å; C107-T114 PolarHBondContact O-N 3.32Å; T109-T114 HydrophobicContact CG2-CG2 3.38Å; G112-T114 PolarHBondContact O-N 2.98Å; T114-M116 HydrophobicContact CG2-CG 3.98Å; T114-M116 HydrophobicContact CG2-SD 4.31Å; T114-M116 PolarHBondContact O-N 3.4Å
115	C	91.5	Very high	75.6	Confident	40 Å²	40	57.9 Å²	57.9	27%	0.27	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113.3	179.3	-64.1	0	0	0	0	111.1	C100 K104 K105	C100-C115 WeakPolarHBondContact CA-SG 3.49Å; C100-C115 HydrophobicContact CB-CB 3.63Å; C100-C115 WeakPolarHBondContact CB-SG 3.47Å; C100-C115 WeakPolarHBondContact SG-CA 3.47Å; C100-C115 WeakPolarHBondContact SG-CB 3.28Å; C100-C115 CovalentContact SG-SG 2.03Å; C100-C115 PolarHBondContact SG-SG 2.93Å; K104-C115 HydrophobicContact CB-CB 4.2Å; K104-C115 HydrophobicContact CD-CB 4.24Å; K105-C115 CarbonylContact O-C 3.58Å; K105-C115 WeakPolarHBondContact O-CA 3.48Å
116	M	89.7	Confident	74.2	Confident	63 Å²	63	63.2 Å²	63.2	31%	0.31	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.8	-179.6	-58.4	-173.6	79.8	0	0	111	P80 K104 K105 C107 T109 T114	P80-M116 HydrophobicContact CB-CE 4.17Å; P80-M116 HydrophobicContact CB-SD 4.48Å; P80-M116 HydrophobicContact CG-CB 4.22Å; P80-M116 HydrophobicContact CG-CE 3.95Å; P80-M116 HydrophobicContact CG-SD 4.2Å; K104-M116 CarbonylContact C-O 3.48Å; K104-M116 WeakPolarHBondContact CA-O 3.38Å; K104-M116 WeakPolarHBondContact CB-O 3.36Å; K105-M116 PolarHBondContact N-O 2.79Å; K105-M116 PolarHBondContact O-N 2.03Å; C107-M116 HydrophobicContact CB-CB 4.2Å; C107-M116 HydrophobicContact CB-CG 4.05Å; C107-M116 HydrophobicContact CB-SD 3.91Å; T109-M116 HydrophobicContact CG2-SD 3.56Å; T109-M116 VanDerWaalsContact CG2-SD 3.56Å; T114-M116 HydrophobicContact CG2-CG 3.98Å; T114-M116 HydrophobicContact CG2-SD 4.31Å; T114-M116 PolarHBondContact O-N 3.4Å
117	E	88.1	Confident	73.3	Confident	97 Å²	97	62.7 Å²	62.7	45%	0.453	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-64.5	130.8	171.1	-67.8	-59.2	154.1	0	0	109.3	S103 K104	S103-E117 PolarHBondContact OG-OE2 2.69Å; K104-E117 WeakPolarHBondContact CE-OE1 3.48Å; K104-E117 HydrophobicContact CG-CG 4.39Å; K104-E117 WeakPolarHBondContact CG-OE1 3.38Å
118	P	83.5	Confident	72.3	Confident	29 Å²	29	67.4 Å²	67.4	19%	0.188	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-67.8	147.1	176.7	29.9	-34.8	0	0	0	110	A76 Q78 S103 K105	A76-P118 VanDerWaalsContact O-CB 3.27Å; A76-P118 WeakPolarHBondContact O-CB 3.39Å; A76-P118 WeakPolarHBondContact O-CG 3.22Å; Q78-P118 WeakPolarHBondContact O-CA 3.47Å; S103-P118 VanDerWaalsContact O-CD 3.25Å; S103-P118 WeakPolarHBondContact O-CD 2.95Å; S103-P118 WeakPolarHBondContact O-CG 3.13Å; K105-P118 HydrophobicContact CD-CB 3.65Å; K105-P118 HydrophobicContact CG-CB 3.99Å
119	T	71	Confident	71.3	Confident	39 Å²	39	65.2 Å²	65.2	24%	0.239	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-85	135.9	172.6	56.7	0	0	0	0	110.9	Q78 P80 Y125	Q78-T119 PolarHBondContact N-O 3.49Å; Q78-T119 PolarHBondContact O-N 3.37Å; Q78-T119 PolarHBondContact O-OG1 3.13Å; P80-T119 HydrophobicContact CG-CG2 4.32Å; T119-Y125 WeakPolarHBondContact CB-OH 3.14Å; T119-Y125 WeakPolarHBondContact CG2-OH 3.41Å; T119-Y125 PolarHBondContact OG1-OH 3.42Å
120	A	58.5	Low	71.1	Confident	97 Å²	97	70.3 Å²	70.3	80%	0.802	41%	0.406	S	S	*	.			trans	-76.4	-18.3	-169.7	0	0	0	0	0	114.3
121	D	52.8	Low	71	Confident	127 Å²	127	69.2 Å²	69.2	68%	0.679	40%	0.401	S	S	*	.	S	Bend	trans	-122.1	134.5	-169.2	-83.7	-49.6	0	0	0	115.1	N123	D121-N123 PolarHBondContact O-N 3.39Å
122	T	43.3	Very low	70.7	Confident	107 Å²	107	67.5 Å²	67.5	66%	0.656	39%	0.385	S	S	*	.	S	Bend	trans	-61.9	120.5	173.6	49.9	0	0	0	0	111.4	D124	T122-D124 PolarHBondContact O-N 3.31Å; T122-D124 VanDerWaalsContact O-N 3.11Å
123	N	44.9	Very low	69.8	Low	81 Å²	81	72.8 Å²	72.8	43%	0.433	42%	0.417	S	S	.	.	S	Bend	trans	57.8	29	148.7	-72.2	-35.8	0	0	0	119.1	D121 K148	D121-N123 PolarHBondContact O-N 3.39Å; N123-K148 HydrophobicContact CB-CD 4.49Å; N123-K148 WeakPolarHBondContact O-CD 3.26Å; N123-K148 PolarHBondContact O-NZ 3.5Å
124	D	47	Very low	68.5	Low	119 Å²	119	72.4 Å²	72.4	64%	0.636	42%	0.42	S	S	*	.			trans	-131.6	48.9	162	-110	5.7	0	0	0	110.4	T122 L126	T122-D124 PolarHBondContact O-N 3.31Å; T122-D124 VanDerWaalsContact O-N 3.11Å; D124-L126 PolarHBondContact O-N 2.87Å
125	Y	51.8	Low	66.7	Low	66 Å²	66	80.5 Å²	80.5	26%	0.259	45%	0.447	S	S	.	.			trans	-62.7	88.9	163.8	-93.4	-89.4	0	0	0	108.6	P80 T119 K127 D149	P80-Y125 WeakPolarHBondContact CA-OH 3.22Å; T119-Y125 WeakPolarHBondContact CB-OH 3.14Å; T119-Y125 WeakPolarHBondContact CG2-OH 3.41Å; T119-Y125 PolarHBondContact OG1-OH 3.42Å; Y125-K127 PolarHBondContact O-N 2.97Å; Y125-D149 WeakPolarHBondContact O-CB 3.37Å
126	L	60.7	Low	64.8	Low	125 Å²	125	81.2 Å²	81.2	65%	0.654	45%	0.45	S	S	*	.			trans	-64.1	114.7	162.4	-94.1	92.4	0	0	0	106.7	D124 D149	D124-L126 PolarHBondContact O-N 2.87Å; L126-D149 WeakPolarHBondContact CA-OD2 3.1Å
127	K	71.1	Confident	62.8	Low	6 Å²	6	84.7 Å²	84.7	3%	0.026	47%	0.47	C	S	.	.			trans	-62.6	146.4	165.7	-69.7	170.7	-177.1	-177.7	0	108.5	F83 Y125 D149 C152 P153 G154 S156 K157	F83-K127 HydrophobicContact CE1-CG 4.45Å; Y125-K127 PolarHBondContact O-N 2.97Å; K127-D149 HydrophobicContact CB-CB 4.49Å; K127-D149 HydrophobicContact CD-CB 4.32Å; K127-D149 WeakPolarHBondContact CE-O 3.42Å; K127-D149 HydrophobicContact CG-CB 4.19Å; K127-D149 PolarHBondContact N-OD2 2.83Å; K127-D149 PolarHBondContact NZ-O 2.75Å; K127-C152 VanDerWaalsContact NZ-C 3.28Å; K127-C152 PolarHBondContact NZ-O 2.66Å; K127-P153 PolarHBondContact NZ-O 3.49Å; K127-G154 WeakPolarHBondContact CE-O 3.39Å; K127-G154 PolarHBondContact NZ-O 3.37Å; K127-S156 WeakPolarHBondContact CD-O 3.15Å; K127-S156 WeakPolarHBondContact CE-O 3.02Å; K127-S156 PolarHBondContact NZ-O 2.77Å; K127-K157 HydrophobicContact CB-CG 3.95Å; K127-K157 PolarHBondContact O-NZ 2.73Å
128	P	68.5	Low	61	Low	99 Å²	99	85.7 Å²	85.7	64%	0.643	47%	0.47	S	S	*	.	S	Bend	trans	-53.2	151	-179.9	-25.4	33.8	0	0	0	113	P170	P128-P170 VanDerWaalsContact O-CG 3.23Å; P128-P170 WeakPolarHBondContact O-CG 3.29Å
129	G	68.4	Low	59.5	Low	21 Å²	21	91.4 Å²	91.4	22%	0.216	50%	0.498	C	S	.	.	S	Bend	trans	90.8	170.6	177.6	0	0	0	0	0	116	K157 E172	G129-K157 VanDerWaalsContact O-CD 3.23Å; G129-K157 WeakPolarHBondContact O-CD 2.98Å; G129-K157 WeakPolarHBondContact O-CE 3.18Å; G129-K157 PolarHBondContact O-NZ 2.98Å; G129-E172 VanDerWaalsContact CA-OE2 3.23Å; G129-E172 WeakPolarHBondContact CA-OE2 3.23Å
130	M	76.5	Confident	58.9	Low	132 Å²	132	92 Å²	92	65%	0.65	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-102.1	144.1	-177.6	-57.7	-171.3	-171.2	0	0	112	P170 D171	M130-P170 CarbonylContact O-C 3.46Å; M130-P170 WeakPolarHBondContact O-CA 3.31Å; M130-P170 WeakPolarHBondContact O-CB 3.32Å; M130-D171 PolarHBondContact O-N 2.93Å
131	C	78.7	Confident	58.9	Low	39 Å²	39	95.1 Å²	95.1	26%	0.264	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-62.4	142.2	173.6	-78.9	0	0	0	0	111.1	V133 C159	C131-V133 PolarHBondContact O-N 3.2Å; C131-C159 VanDerWaalsContact CA-SG 3.51Å; C131-C159 HydrophobicContact CB-CB 3.68Å; C131-C159 WeakPolarHBondContact CB-SG 3.39Å; C131-C159 WeakPolarHBondContact SG-CA 3.43Å; C131-C159 WeakPolarHBondContact SG-CB 3.46Å; C131-C159 CovalentContact SG-SG 2.04Å; C131-C159 PolarHBondContact SG-SG 2.9Å
132	P	74.6	Confident	59.7	Low	25 Å²	25	92.9 Å²	92.9	16%	0.162	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-54.4	135.2	173	-26.2	35.6	0	0	0	111.6	V134 M168 L169 D171	P132-V134 PolarHBondContact O-N 3.03Å; P132-M168 HydrophobicContact CB-CE 4.17Å; P132-M168 HydrophobicContact CG-CB 4.47Å; P132-M168 HydrophobicContact CG-CE 4.06Å; P132-L169 WeakPolarHBondContact CD-O 3.45Å; P132-L169 WeakPolarHBondContact CG-O 3.43Å; P132-D171 WeakPolarHBondContact CA-OD1 3.11Å; P132-D171 WeakPolarHBondContact CA-OD2 3.01Å; P132-D171 VanDerWaalsContact CB-OD1 3.31Å; P132-D171 WeakPolarHBondContact CB-OD1 3.38Å; P132-D171 WeakPolarHBondContact CG-OD1 3.3Å
133	V	65.6	Low	61.4	Low	111 Å²	111	91.4 Å²	91.4	67%	0.673	50%	0.498	S	S	*	.			trans	-67.7	105	179.3	-176.4	0	0	0	0	109.1	C131 Y135	C131-V133 PolarHBondContact O-N 3.2Å; V133-Y135 HydrophobicContact CG1-CE2 4.33Å
134	V	62.2	Low	63.2	Low	55 Å²	55	91.7 Å²	91.7	33%	0.333	50%	0.499	S	S	.	.			trans	-106.9	119.1	172.8	-174	0	0	0	0	109.1	P132 T136 M168	P132-V134 PolarHBondContact O-N 3.03Å; V134-T136 HydrophobicContact CB-CG2 4.46Å; V134-T136 HydrophobicContact CG1-CG2 4.11Å; V134-T136 PolarHBondContact O-N 3.36Å; V134-M168 HydrophobicContact CG2-CE 4.38Å
135	Y	51.9	Low	65.2	Low	213 Å²	213	95.5 Å²	95.5	84%	0.835	51%	0.505	S	S	*	.			trans	-74.9	93.7	168.5	-64.7	-80.3	0	0	0	108.8	V133 N137	V133-Y135 HydrophobicContact CG1-CE2 4.33Å; Y135-N137 PolarHBondContact O-N 3.26Å
136	T	51.4	Low	66.9	Low	54 Å²	54	92.5 Å²	92.5	33%	0.331	49%	0.494	S	S	.	.			trans	-77.9	104.5	-178	58.4	0	0	0	0	110.8	V134	V134-T136 HydrophobicContact CB-CG2 4.46Å; V134-T136 HydrophobicContact CG1-CG2 4.11Å; V134-T136 PolarHBondContact O-N 3.36Å
137	N	48.1	Very low	68.1	Low	136 Å²	136	90.5 Å²	90.5	73%	0.727	49%	0.487	S	S	*	.			trans	-100	102.9	151.1	-76.6	-31	0	0	0	106.2	Y135 I139	Y135-N137 PolarHBondContact O-N 3.26Å; N137-I139 PolarHBondContact O-N 2.89Å; N137-I139 VanDerWaalsContact O-N 3.08Å
138	Y	51	Low	68.7	Low	118 Å²	118	93.7 Å²	93.7	46%	0.463	50%	0.5	S	S	.	.			trans	-61.4	111.4	-179	-84.2	-88	0	0	0	110.3	V142	Y138-V142 HydrophobicContact CD1-CG2 3.66Å; Y138-V142 HydrophobicContact CE1-CB 4.5Å; Y138-V142 HydrophobicContact CE1-CG1 4.13Å; Y138-V142 HydrophobicContact CE1-CG2 3.68Å
139	I	51.3	Low	69.4	Low	149 Å²	149	89.8 Å²	89.8	76%	0.764	47%	0.474	S	S	*	.			trans	-124	73.1	174.6	-55.5	163.1	0	0	0	106.7	N137	N137-I139 PolarHBondContact O-N 2.89Å; N137-I139 VanDerWaalsContact O-N 3.08Å
140	G	57.9	Low	69.8	Low	52 Å²	52	91.3 Å²	91.3	54%	0.536	48%	0.479	S	S	.	.	S	Bend	trans	160.1	174.8	177.1	0	0	0	0	0	115.4	V142	G140-V142 PolarHBondContact O-N 2.03Å
141	I	59.3	Low	70.1	Confident	163 Å²	163	89.7 Å²	89.7	84%	0.836	47%	0.47	S	S	*	.			trans	-68.4	119.4	170.9	-58.1	172.5	0	0	0	107.6	S143	I141-S143 PolarHBondContact O-N 3.27Å
142	V	68.9	Low	70.4	Confident	80 Å²	80	88 Å²	88	49%	0.485	46%	0.459	S	S	.	.			trans	-67.6	123.9	177.9	-175.2	0	0	0	0	109.2	Y138 G140	Y138-V142 HydrophobicContact CD1-CG2 3.66Å; Y138-V142 HydrophobicContact CE1-CB 4.5Å; Y138-V142 HydrophobicContact CE1-CG1 4.13Å; Y138-V142 HydrophobicContact CE1-CG2 3.68Å; G140-V142 PolarHBondContact O-N 2.03Å
143	S	78.9	Confident	70.8	Confident	75 Å²	75	89.6 Å²	89.6	52%	0.524	47%	0.469	S	S	.	.			trans	-136.5	97.9	174.6	-174.6	0	0	0	0	110	I141 R145 N163	I141-S143 PolarHBondContact O-N 3.27Å; S143-R145 PolarHBondContact O-N 3.25Å; S143-N163 PolarHBondContact N-O 2.98Å
144	D	84.7	Confident	71.3	Confident	87 Å²	87	84.8 Å²	84.8	47%	0.465	44%	0.442	S	S	.	.			trans	-69.6	121.9	175.7	-68.8	-14.7	0	0	0	110	G164 K165	D144-G164 WeakPolarHBondContact OD1-CA 3.41Å; D144-K165 HydrophobicContact CB-CB 4.18Å; D144-K165 PolarHBondContact OD1-N 2.79Å
145	R	87.2	Confident	72	Confident	200 Å²	200	83 Å²	83	76%	0.755	43%	0.431	S	S	*	.	S	Bend	trans	-95.7	-8	177.8	-62.1	-174.2	176.3	-173.4	-1.5	113.2	S143 K165	S143-R145 PolarHBondContact O-N 3.25Å; R145-K165 PolarHBondContact N-O 2.83Å
146	C	88.1	Confident	73.5	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.02	40%	0.398	C	S	.	.			trans	-153	155.2	174.5	60.2	0	0	0	0	108.5	E151 C158 K165 Q166	C146-E151 WeakPolarHBondContact CA-OE2 3.23Å; C146-E151 HydrophobicContact CB-CB 4.35Å; C146-C158 HydrophobicContact CB-CB 3.85Å; C146-C158 WeakPolarHBondContact CB-SG 3.38Å; C146-C158 PolarHBondContact O-SG 2.94Å; C146-C158 WeakPolarHBondContact SG-CA 3.25Å; C146-C158 WeakPolarHBondContact SG-CB 2.99Å; C146-C158 CovalentContact SG-SG 2.04Å; C146-C158 PolarHBondContact SG-SG 3.43Å; C146-K165 WeakPolarHBondContact O-CB 3.41Å; C146-Q166 VanDerWaalsContact SG-C 3.53Å
147	T	86.4	Confident	75.2	Confident	83 Å²	83	71.6 Å²	71.6	51%	0.509	38%	0.384	S	S	.	.	S	Bend	trans	-109.1	-26.8	170.8	78.1	0	0	0	0	112.5	E151	T147-E151 PolarHBondContact N-OE2 3.17Å; T147-E151 PolarHBondContact OG1-OE1 2.86Å
148	K	83	Confident	77.1	Confident	72 Å²	72	65.8 Å²	65.8	31%	0.313	35%	0.354	S	S	.	.	S	Bend	trans	-143.4	154.2	-172.2	-66.6	175	173.4	-145.9	0	112	N123 V150 E151 C158	N123-K148 HydrophobicContact CB-CD 4.49Å; N123-K148 WeakPolarHBondContact O-CD 3.26Å; N123-K148 PolarHBondContact O-NZ 3.5Å; K148-V150 HydrophobicContact CB-CG1 3.93Å; K148-V150 PolarHBondContact O-N 3.44Å; K148-E151 WeakPolarHBondContact O-CB 3.4Å; K148-E151 PolarHBondContact O-N 2.59Å; K148-C158 WeakPolarHBondContact O-CB 3.37Å
149	D	82.7	Confident	78.8	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.091	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57.2	-34.4	178.3	-74.2	0.6	0	0	0	113.1	Y125 L126 K127 E151 C152 K157 C158	Y125-D149 WeakPolarHBondContact O-CB 3.37Å; L126-D149 WeakPolarHBondContact CA-OD2 3.1Å; K127-D149 HydrophobicContact CB-CB 4.49Å; K127-D149 HydrophobicContact CD-CB 4.32Å; K127-D149 WeakPolarHBondContact CE-O 3.42Å; K127-D149 HydrophobicContact CG-CB 4.19Å; K127-D149 PolarHBondContact N-OD2 2.83Å; K127-D149 PolarHBondContact NZ-O 2.75Å; D149-E151 PolarHBondContact O-N 3.03Å; D149-C152 WeakPolarHBondContact O-CB 3.36Å; D149-C152 PolarHBondContact O-N 2.7Å; D149-K157 WeakPolarHBondContact OD1-CA 3.17Å; D149-K157 WeakPolarHBondContact OD1-CB 3.37Å; D149-K157 WeakPolarHBondContact OD2-CG 3.11Å; D149-K157 IonicContact OD2-NZ 3.91Å; D149-K157 PolarHBondContact OD2-NZ 2.63Å; D149-C158 PolarHBondContact OD1-N 3.29Å
150	V	77.2	Confident	80.4	Confident	53 Å²	53	56.2 Å²	56.2	32%	0.321	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-61.9	-24.9	178.8	69.5	0	0	0	0	113	K148 C152	K148-V150 HydrophobicContact CB-CG1 3.93Å; K148-V150 PolarHBondContact O-N 3.44Å; V150-C152 VanDerWaalsContact C-N 3.27Å
151	E	83.5	Confident	81.3	Confident	98 Å²	98	54.3 Å²	54.3	46%	0.458	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-78.6	-16.3	176.8	-62.4	172.6	-160.2	0	0	112.2	C146 T147 K148 D149	C146-E151 WeakPolarHBondContact CA-OE2 3.23Å; C146-E151 HydrophobicContact CB-CB 4.35Å; T147-E151 PolarHBondContact N-OE2 3.17Å; T147-E151 PolarHBondContact OG1-OE1 2.86Å; K148-E151 WeakPolarHBondContact O-CB 3.4Å; K148-E151 PolarHBondContact O-N 2.59Å; D149-E151 PolarHBondContact O-N 3.03Å
152	C	85.5	Confident	82	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.027	28%	0.281	C	S	.	.	S	Bend	trans	-83.8	146.8	179	-67	0	0	0	0	111	K127 D149 V150 S156 C167	K127-C152 VanDerWaalsContact NZ-C 3.28Å; K127-C152 PolarHBondContact NZ-O 2.66Å; D149-C152 WeakPolarHBondContact O-CB 3.36Å; D149-C152 PolarHBondContact O-N 2.7Å; V150-C152 VanDerWaalsContact C-N 3.27Å; C152-S156 WeakPolarHBondContact CB-O 2.83Å; C152-C167 WeakPolarHBondContact CA-SG 3.12Å; C152-C167 HydrophobicContact CB-CB 3.64Å; C152-C167 WeakPolarHBondContact CB-SG 3.22Å; C152-C167 WeakPolarHBondContact SG-CA 3.46Å; C152-C167 WeakPolarHBondContact SG-CB 3.49Å; C152-C167 CovalentContact SG-SG 2.03Å; C152-C167 PolarHBondContact SG-SG 2.78Å
153	P	83.2	Confident	82.3	Confident	59 Å²	59	52.4 Å²	52.4	38%	0.383	28%	0.279	S	S	.	.	S	Bend	trans	-75.3	157.6	174.8	29.5	-33.8	0	0	0	112	K127 S155 S156 Y197	K127-P153 PolarHBondContact NZ-O 3.49Å; P153-S155 PolarHBondContact O-N 2.95Å; P153-S156 WeakPolarHBondContact O-CB 3.2Å; P153-S156 PolarHBondContact O-N 2.57Å; P153-Y197 HydrophobicContact CB-CD1 3.46Å; P153-Y197 VanDerWaalsContact CB-CD1 3.46Å; P153-Y197 HydrophobicContact CB-CD2 4.13Å; P153-Y197 HydrophobicContact CB-CE1 3.86Å; P153-Y197 HydrophobicContact CB-CE2 4.49Å; P153-Y197 HydrophobicContact CB-CG 3.6Å; P153-Y197 HydrophobicContact CG-CD1 4.36Å
154	G	75.4	Confident	82.4	Confident	10 Å²	10	48.9 Å²	48.9	10%	0.103	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-131.7	174.5	0	0	0	0	0	113.6	K127 D201	K127-G154 WeakPolarHBondContact CE-O 3.39Å; K127-G154 PolarHBondContact NZ-O 3.37Å; G154-D201 WeakPolarHBondContact CA-OD1 3.32Å; G154-D201 WeakPolarHBondContact CA-OD2 3.18Å
155	S	77	Confident	82.6	Confident	16 Å²	16	48.6 Å²	48.6	11%	0.112	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2.8	179.4	-53.6	0	0	0	0	113.5	P153 P170 D198 Y200	P153-S155 PolarHBondContact O-N 2.95Å; S155-P170 WeakPolarHBondContact O-CD 3.44Å; S155-D198 WeakPolarHBondContact CB-OD2 3.32Å; S155-D198 PolarHBondContact N-OD2 3.42Å; S155-D198 PolarHBondContact OG-OD1 2.87Å; S155-Y200 WeakPolarHBondContact OG-CB 2.98Å
156	S	83.9	Confident	82.6	Confident	18 Å²	18	42 Å²	42	13%	0.126	23%	0.227	C	C	.	.			trans	-72.3	137.1	-177.9	-61	0	0	0	0	112.5	K127 C152 P153 M168	K127-S156 WeakPolarHBondContact CD-O 3.15Å; K127-S156 WeakPolarHBondContact CE-O 3.02Å; K127-S156 PolarHBondContact NZ-O 2.77Å; C152-S156 WeakPolarHBondContact CB-O 2.83Å; P153-S156 WeakPolarHBondContact O-CB 3.2Å; P153-S156 PolarHBondContact O-N 2.57Å; S156-M168 CarbonylContact C-O 3.55Å; S156-M168 VanDerWaalsContact CA-O 3.29Å; S156-M168 WeakPolarHBondContact CA-O 3.23Å
157	K	86.1	Confident	82.6	Confident	10 Å²	10	44.1 Å²	44.1	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	155.6	176.2	-66.3	174.8	67.9	70.2	0	111.5	K127 G129 D149 C159 C167 M168 P170	K127-K157 HydrophobicContact CB-CG 3.95Å; K127-K157 PolarHBondContact O-NZ 2.73Å; G129-K157 VanDerWaalsContact O-CD 3.23Å; G129-K157 WeakPolarHBondContact O-CD 2.98Å; G129-K157 WeakPolarHBondContact O-CE 3.18Å; G129-K157 PolarHBondContact O-NZ 2.98Å; D149-K157 WeakPolarHBondContact OD1-CA 3.17Å; D149-K157 WeakPolarHBondContact OD1-CB 3.37Å; D149-K157 WeakPolarHBondContact OD2-CG 3.11Å; D149-K157 IonicContact OD2-NZ 3.91Å; D149-K157 PolarHBondContact OD2-NZ 2.63Å; K157-C159 PolarHBondContact O-N 2.9Å; K157-C167 CarbonylContact O-C 3.52Å; K157-C167 VanDerWaalsContact O-CA 3.28Å; K157-C167 WeakPolarHBondContact O-CA 3.46Å; K157-M168 PolarHBondContact N-O 3.16Å; K157-M168 PolarHBondContact O-N 3.21Å; K157-P170 HydrophobicContact CD-CB 4.11Å; K157-P170 HydrophobicContact CD-CG 3.72Å; K157-P170 HydrophobicContact CG-CG 4.02Å
158	C	88.4	Confident	82.4	Confident	15 Å²	15	42.2 Å²	42.2	10%	0.101	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	92.8	176	-174.7	0	0	0	0	110.5	C146 K148 D149	C146-C158 HydrophobicContact CB-CB 3.85Å; C146-C158 WeakPolarHBondContact CB-SG 3.38Å; C146-C158 PolarHBondContact O-SG 2.94Å; C146-C158 WeakPolarHBondContact SG-CA 3.25Å; C146-C158 WeakPolarHBondContact SG-CB 2.99Å; C146-C158 CovalentContact SG-SG 2.04Å; C146-C158 PolarHBondContact SG-SG 3.43Å; K148-C158 WeakPolarHBondContact O-CB 3.37Å; D149-C158 PolarHBondContact OD1-N 3.29Å
159	C	86.4	Confident	82.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.2	-169.1	-61.9	0	0	0	0	112.3	C131 K157 K165 Q166 M168	C131-C159 VanDerWaalsContact CA-SG 3.51Å; C131-C159 HydrophobicContact CB-CB 3.68Å; C131-C159 WeakPolarHBondContact CB-SG 3.39Å; C131-C159 WeakPolarHBondContact SG-CA 3.43Å; C131-C159 WeakPolarHBondContact SG-CB 3.46Å; C131-C159 CovalentContact SG-SG 2.04Å; C131-C159 PolarHBondContact SG-SG 2.9Å; K157-C159 PolarHBondContact O-N 2.9Å; C159-K165 CarbonylContact O-C 3.5Å; C159-K165 WeakPolarHBondContact O-CA 3.41Å; C159-Q166 PolarHBondContact N-O 2.94Å; C159-Q166 PolarHBondContact O-N 3.28Å; C159-M168 HydrophobicContact CB-CB 4.08Å; C159-M168 HydrophobicContact CB-CG 4.15Å; C159-M168 HydrophobicContact CB-SD 3.93Å
160	P	84.3	Confident	81.7	Confident	66 Å²	66	40.9 Å²	40.9	43%	0.429	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136	170.8	27.4	-32.6	0	0	0	110.8
161	S	78.2	Confident	81.3	Confident	12 Å²	12	41.8 Å²	41.8	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	173.1	175.6	178.9	0	0	0	0	110	N163 G164 Q166	S161-N163 PolarHBondContact O-N 3.44Å; S161-G164 WeakPolarHBondContact CA-O 3.36Å; S161-G164 VanDerWaalsContact CB-O 3.28Å; S161-G164 WeakPolarHBondContact CB-O 3.2Å; S161-G164 PolarHBondContact N-O 3.09Å; S161-G164 PolarHBondContact O-N 2.94Å; S161-Q166 PolarHBondContact OG-NE2 2.03Å
162	Q	73.2	Confident	80.3	Confident	119 Å²	119	43 Å²	43	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.7	-179.7	64.3	-178.2	21.8	0	0	114.2
163	N	75.1	Confident	78.9	Confident	83 Å²	83	44.5 Å²	44.5	44%	0.444	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	18.3	-176	-67.6	-16.5	0	0	0	113.6	S143 S161	S143-N163 PolarHBondContact N-O 2.98Å; S161-N163 PolarHBondContact O-N 3.44Å
164	G	81.4	Confident	77.6	Confident	1 Å²	1	46 Å²	46	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107	-171.6	-171.6	0	0	0	0	0	112.4	D144 S161	D144-G164 WeakPolarHBondContact OD1-CA 3.41Å; S161-G164 WeakPolarHBondContact CA-O 3.36Å; S161-G164 VanDerWaalsContact CB-O 3.28Å; S161-G164 WeakPolarHBondContact CB-O 3.2Å; S161-G164 PolarHBondContact N-O 3.09Å; S161-G164 PolarHBondContact O-N 2.94Å
165	K	87.6	Confident	76.7	Confident	82 Å²	82	51 Å²	51	36%	0.357	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.9	-179.5	-65.8	-175.9	179.3	-173.3	0	112	D144 R145 C146 C159	D144-K165 HydrophobicContact CB-CB 4.18Å; D144-K165 PolarHBondContact OD1-N 2.79Å; R145-K165 PolarHBondContact N-O 2.83Å; C146-K165 WeakPolarHBondContact O-CB 3.41Å; C159-K165 CarbonylContact O-C 3.5Å; C159-K165 WeakPolarHBondContact O-CA 3.41Å
166	Q	88.2	Confident	76	Confident	62 Å²	62	52 Å²	52	29%	0.29	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.8	174.9	68.1	178.8	10.3	0	0	111.7	C146 C159 S161 M168	C146-Q166 VanDerWaalsContact SG-C 3.53Å; C159-Q166 PolarHBondContact N-O 2.94Å; C159-Q166 PolarHBondContact O-N 3.28Å; S161-Q166 PolarHBondContact OG-NE2 2.03Å; Q166-M168 HydrophobicContact CG-CG 3.81Å; Q166-M168 HydrophobicContact CG-SD 3.95Å; Q166-M168 PolarHBondContact O-N 2.65Å
167	C	87.1	Confident	75	Confident	47 Å²	47	52.9 Å²	52.9	32%	0.318	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.3	176.5	-61.3	0	0	0	0	111.4	C152 K157	C152-C167 WeakPolarHBondContact CA-SG 3.12Å; C152-C167 HydrophobicContact CB-CB 3.64Å; C152-C167 WeakPolarHBondContact CB-SG 3.22Å; C152-C167 WeakPolarHBondContact SG-CA 3.46Å; C152-C167 WeakPolarHBondContact SG-CB 3.49Å; C152-C167 CovalentContact SG-SG 2.03Å; C152-C167 PolarHBondContact SG-SG 2.78Å; K157-C167 CarbonylContact O-C 3.52Å; K157-C167 VanDerWaalsContact O-CA 3.28Å; K157-C167 WeakPolarHBondContact O-CA 3.46Å
168	M	82.1	Confident	73.9	Confident	42 Å²	42	59.5 Å²	59.5	21%	0.207	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147	-178.9	-59.3	-178.7	66.2	0	0	110.2	P132 V134 S156 K157 C159 Q166	P132-M168 HydrophobicContact CB-CE 4.17Å; P132-M168 HydrophobicContact CG-CB 4.47Å; P132-M168 HydrophobicContact CG-CE 4.06Å; V134-M168 HydrophobicContact CG2-CE 4.38Å; S156-M168 CarbonylContact C-O 3.55Å; S156-M168 VanDerWaalsContact CA-O 3.29Å; S156-M168 WeakPolarHBondContact CA-O 3.23Å; K157-M168 PolarHBondContact N-O 3.16Å; K157-M168 PolarHBondContact O-N 3.21Å; C159-M168 HydrophobicContact CB-CB 4.08Å; C159-M168 HydrophobicContact CB-CG 4.15Å; C159-M168 HydrophobicContact CB-SD 3.93Å; Q166-M168 HydrophobicContact CG-CG 3.81Å; Q166-M168 HydrophobicContact CG-SD 3.95Å; Q166-M168 PolarHBondContact O-N 2.65Å
169	L	77.1	Confident	72.6	Confident	61 Å²	61	60 Å²	60	32%	0.319	33%	0.334	S	S	.	.			trans	-69.2	137.2	170.8	-76.2	169	0	0	0	109.6	P132 L173 D198	P132-L169 WeakPolarHBondContact CD-O 3.45Å; P132-L169 WeakPolarHBondContact CG-O 3.43Å; L169-L173 HydrophobicContact CD2-CD1 4.48Å; L169-D198 HydrophobicContact CD2-CB 4.11Å
170	P	75.5	Confident	71.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.			trans	-58.2	149.1	172	-10.6	14	0	0	0	112.8	P128 M130 S155 K157 E172 L173	P128-P170 VanDerWaalsContact O-CG 3.23Å; P128-P170 WeakPolarHBondContact O-CG 3.29Å; M130-P170 CarbonylContact O-C 3.46Å; M130-P170 WeakPolarHBondContact O-CA 3.31Å; M130-P170 WeakPolarHBondContact O-CB 3.32Å; S155-P170 WeakPolarHBondContact O-CD 3.44Å; K157-P170 HydrophobicContact CD-CB 4.11Å; K157-P170 HydrophobicContact CD-CG 3.72Å; K157-P170 HydrophobicContact CG-CG 4.02Å; P170-E172 VanDerWaalsContact C-N 3.26Å; P170-E172 PolarHBondContact O-N 3.42Å; P170-L173 HydrophobicContact CB-CG 4.32Å; P170-L173 HydrophobicContact CG-CD1 3.85Å; P170-L173 HydrophobicContact CG-CG 4.05Å; P170-L173 WeakPolarHBondContact O-CA 3.24Å; P170-L173 WeakPolarHBondContact O-CB 3Å; P170-L173 PolarHBondContact O-N 2.88Å
171	D	68	Low	71.2	Confident	72 Å²	72	66.5 Å²	66.5	39%	0.385	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-60.2	-34.5	179.6	-86	-12.7	0	0	0	112.6	M130 P132 L173 V174	M130-D171 PolarHBondContact O-N 2.93Å; P132-D171 WeakPolarHBondContact CA-OD1 3.11Å; P132-D171 WeakPolarHBondContact CA-OD2 3.01Å; P132-D171 VanDerWaalsContact CB-OD1 3.31Å; P132-D171 WeakPolarHBondContact CB-OD1 3.38Å; P132-D171 WeakPolarHBondContact CG-OD1 3.3Å; D171-L173 PolarHBondContact O-N 3.32Å; D171-V174 WeakPolarHBondContact O-CA 3.37Å; D171-V174 WeakPolarHBondContact O-CB 3.28Å; D171-V174 PolarHBondContact O-N 2.9Å
172	E	62.4	Low	70.7	Confident	125 Å²	125	67.6 Å²	67.6	58%	0.584	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.8	176.5	-66.2	174.3	-173.4	0	0	113	G129 P170 V174	G129-E172 VanDerWaalsContact CA-OE2 3.23Å; G129-E172 WeakPolarHBondContact CA-OE2 3.23Å; P170-E172 VanDerWaalsContact C-N 3.26Å; P170-E172 PolarHBondContact O-N 3.42Å; E172-V174 VanDerWaalsContact C-N 3.26Å
173	L	57	Low	70.3	Confident	35 Å²	35	66 Å²	66	18%	0.183	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-92	10.4	174.9	-60.8	-167.4	0	0	0	111.4	L169 P170 D171 Y200	L169-L173 HydrophobicContact CD2-CD1 4.48Å; P170-L173 HydrophobicContact CB-CG 4.32Å; P170-L173 HydrophobicContact CG-CD1 3.85Å; P170-L173 HydrophobicContact CG-CG 4.05Å; P170-L173 WeakPolarHBondContact O-CA 3.24Å; P170-L173 WeakPolarHBondContact O-CB 3Å; P170-L173 PolarHBondContact O-N 2.88Å; D171-L173 PolarHBondContact O-N 3.32Å; L173-Y200 WeakPolarHBondContact CA-OH 3.38Å; L173-Y200 HydrophobicContact CB-CD2 3.98Å; L173-Y200 HydrophobicContact CB-CE1 4.31Å; L173-Y200 HydrophobicContact CB-CE2 3.47Å; L173-Y200 VanDerWaalsContact CB-CE2 3.47Å; L173-Y200 HydrophobicContact CD1-CD1 4.48Å; L173-Y200 HydrophobicContact CD1-CD2 3.85Å; L173-Y200 HydrophobicContact CD1-CE2 4.24Å; L173-Y200 HydrophobicContact CD1-CG 3.99Å; L173-Y200 HydrophobicContact CD2-CD1 3.76Å; L173-Y200 HydrophobicContact CD2-CD2 4.35Å; L173-Y200 HydrophobicContact CD2-CE1 3.66Å; L173-Y200 HydrophobicContact CD2-CE2 4.27Å; L173-Y200 HydrophobicContact CD2-CG 4.1Å; L173-Y200 HydrophobicContact CG-CD2 4.28Å; L173-Y200 HydrophobicContact CG-CE1 4.45Å; L173-Y200 HydrophobicContact CG-CE2 4.19Å; L173-Y200 HydrophobicContact CG-CG 4.45Å; L173-Y200 WeakPolarHBondContact O-CE2 3.13Å; L173-Y200 PolarHBondContact O-OH 3.28Å
174	V	55.3	Low	69.8	Low	91 Å²	91	65.1 Å²	65.1	55%	0.552	36%	0.364	S	S	*	.			trans	-117.5	123	173	-175.8	0	0	0	0	107.9	D171 E172	D171-V174 WeakPolarHBondContact O-CA 3.37Å; D171-V174 WeakPolarHBondContact O-CB 3.28Å; D171-V174 PolarHBondContact O-N 2.9Å; E172-V174 VanDerWaalsContact C-N 3.26Å
175	P	57.4	Low	68.4	Low	115 Å²	115	72.9 Å²	72.9	75%	0.747	41%	0.405	S	S	*	.	S	Bend	cis	-83.2	143.4	10.6	27.1	-21.6	0	0	0	112.5	Y200	P175-Y200 PolarHBondContact O-OH 2.85Å
176	G	60.9	Low	67	Low	36 Å²	36	70.7 Å²	70.7	37%	0.371	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-54.9	169.3	172.7	0	0	0	0	0	112.9	I178 Y200	G176-I178 PolarHBondContact O-N 3.15Å; G176-Y200 WeakPolarHBondContact CA-OH 2.96Å
177	K	63.3	Low	66.1	Low	36 Å²	36	73.7 Å²	73.7	16%	0.157	43%	0.428	C	S	.	.	S	Bend	trans	-54.5	141	-177.2	-66.6	-179.1	-175.8	176.5	0	112.8	D199 C202 G204 K206 K207	K177-D199 HydrophobicContact CB-CB 4.24Å; K177-D199 HydrophobicContact CD-CB 4.04Å; K177-D199 WeakPolarHBondContact CE-O 3.34Å; K177-D199 HydrophobicContact CG-CB 4.06Å; K177-D199 PolarHBondContact NZ-O 2.9Å; K177-C202 PolarHBondContact NZ-O 2.84Å; K177-G204 WeakPolarHBondContact CD-O 3.37Å; K177-G204 WeakPolarHBondContact CE-O 2.95Å; K177-G204 PolarHBondContact NZ-O 3.33Å; K177-K206 WeakPolarHBondContact CD-O 3.49Å; K177-K206 PolarHBondContact NZ-O 3.05Å; K177-K207 HydrophobicContact CB-CG 4.14Å; K177-K207 PolarHBondContact O-NZ 2.88Å
178	I	63.8	Low	65.3	Low	150 Å²	150	74.7 Å²	74.7	77%	0.769	43%	0.434	S	S	*	.	S	Bend	trans	-59	139.4	-176.5	-58.8	174.8	0	0	0	110.9	G176 P220	G176-I178 PolarHBondContact O-N 3.15Å; I178-P220 WeakPolarHBondContact O-CG 3.38Å
179	G	59.4	Low	64.9	Low	25 Å²	25	74.8 Å²	74.8	26%	0.258	44%	0.438	S	S	.	.	S	Bend	trans	102.2	175.5	178.2	0	0	0	0	0	114	K207	G179-K207 WeakPolarHBondContact O-CD 3.28Å; G179-K207 WeakPolarHBondContact O-CE 3.45Å; G179-K207 PolarHBondContact O-NZ 3.49Å
180	R	69.7	Low	64.8	Low	153 Å²	153	77.2 Å²	77.2	58%	0.577	46%	0.461	S	S	*	.	B	Isolated β-bridge	trans	-114.5	157.2	177.8	-64.5	-168.1	-170.1	167.4	-5	110.5	P220 D221 D223	R180-P220 CarbonylContact O-C 3.53Å; R180-P220 WeakPolarHBondContact O-CA 3.19Å; R180-P220 VanDerWaalsContact O-CB 3.22Å; R180-P220 WeakPolarHBondContact O-CB 3.48Å; R180-D221 PolarHBondContact N-O 2.78Å; R180-D221 PolarHBondContact O-N 2.71Å; R180-D223 HydrophobicContact CB-CB 4.07Å; R180-D223 WeakPolarHBondContact CD-OD2 3.23Å; R180-D223 HydrophobicContact CG-CB 3.73Å; R180-D223 IonicContact CZ-OD2 2.68Å; R180-D223 VanDerWaalsContact CZ-OD2 3.26Å; R180-D223 IonicContact NE-OD2 3.85Å; R180-D223 PolarHBondContact NE-OD2 2.86Å; R180-D223 IonicContact NH1-OD2 3.9Å; R180-D223 PolarHBondContact NH1-OD2 3.07Å
181	C	73.1	Confident	65	Low	49 Å²	49	83.6 Å²	83.6	33%	0.331	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-66	142.1	172.8	-76.8	0	0	0	0	110.6	C209	C181-C209 WeakPolarHBondContact CA-SG 3.5Å; C181-C209 HydrophobicContact CB-CB 3.58Å; C181-C209 WeakPolarHBondContact CB-SG 3.23Å; C181-C209 WeakPolarHBondContact SG-CA 3.43Å; C181-C209 WeakPolarHBondContact SG-CB 3.41Å; C181-C209 CovalentContact SG-SG 2.03Å; C181-C209 PolarHBondContact SG-SG 2.74Å
182	P	66.6	Low	65.3	Low	36 Å²	36	83.5 Å²	83.5	23%	0.234	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-53.4	141.8	173.8	-24.9	33	0	0	0	112.3	F184 L218 I219 D221	P182-F184 PolarHBondContact O-N 2.65Å; P182-F184 VanDerWaalsContact O-N 3.15Å; P182-L218 HydrophobicContact CG-CB 4.37Å; P182-L218 HydrophobicContact CG-CD1 4.26Å; P182-I219 WeakPolarHBondContact CG-O 3.41Å; P182-D221 VanDerWaalsContact CA-OD2 3.25Å; P182-D221 WeakPolarHBondContact CA-OD2 3.37Å
183	A	65.2	Low	65.9	Low	86 Å²	86	82.1 Å²	82.1	71%	0.711	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-58	120.9	-178.8	0	0	0	0	0	110.6
184	F	65.3	Low	67.1	Low	64 Å²	64	83.4 Å²	83.4	28%	0.281	50%	0.501	S	S	.	.			trans	-101.4	108	179.1	175.1	-108.9	0	0	0	110.5	P182 G186 P188 Q210 T211 V212	P182-F184 PolarHBondContact O-N 2.65Å; P182-F184 VanDerWaalsContact O-N 3.15Å; F184-G186 VanDerWaalsContact CE1-C 3.43Å; F184-G186 WeakPolarHBondContact CE1-O 2.98Å; F184-G186 WeakPolarHBondContact CZ-O 3.34Å; F184-P188 HydrophobicContact CE1-CG 4.15Å; F184-Q210 HydrophobicContact CD1-CG 4.1Å; F184-Q210 HydrophobicContact CE1-CG 4.3Å; F184-T211 VanDerWaalsContact CE2-C 3.42Å; F184-V212 HydrophobicContact CE2-CB 4.29Å; F184-V212 HydrophobicContact CE2-CG2 3.57Å; F184-V212 HydrophobicContact CZ-CB 4.45Å; F184-V212 HydrophobicContact CZ-CG2 4.02Å
185	N	52.2	Low	68.1	Low	164 Å²	164	84.2 Å²	84.2	88%	0.877	50%	0.495	S	S	*	.			trans	-104.5	48.2	177.8	-68	-9.4	0	0	0	111.8
186	G	57.8	Low	69.1	Low	35 Å²	35	78.8 Å²	78.8	36%	0.361	46%	0.459	S	S	.	.	S	Bend	trans	-129.3	169.1	179.7	0	0	0	0	0	113.3	F184	F184-G186 VanDerWaalsContact CE1-C 3.43Å; F184-G186 WeakPolarHBondContact CE1-O 2.98Å; F184-G186 WeakPolarHBondContact CZ-O 3.34Å
187	V	69.2	Low	70.1	Confident	125 Å²	125	82.9 Å²	82.9	76%	0.758	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-89.3	123.6	168.7	-177.2	0	0	0	0	107.7
188	P	70.3	Confident	70.9	Confident	69 Å²	69	81.8 Å²	81.8	45%	0.448	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-58.9	141.2	174.1	-22.6	33	0	0	0	111.6	F184	F184-P188 HydrophobicContact CE1-CG 4.15Å
189	S	72.3	Confident	71.7	Confident	43 Å²	43	75.8 Å²	75.8	30%	0.301	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-54.8	141.3	171.5	177.5	0	0	0	0	111.1	N191 V212	S189-N191 PolarHBondContact O-N 2.03Å; S189-N191 PolarHBondContact OG-N 3.4Å; S189-N191 PolarHBondContact OG-O 3.1Å; S189-N191 VanDerWaalsContact OG-O 3.04Å; S189-V212 VanDerWaalsContact CB-O 3.25Å; S189-V212 WeakPolarHBondContact CB-O 2.98Å; S189-V212 PolarHBondContact N-O 3.17Å
190	S	76	Confident	72.4	Confident	113 Å²	113	77.8 Å²	77.8	79%	0.79	43%	0.43	S	S	*	.	S	Bend	trans	-64	-23.8	171.8	54.4	0	0	0	0	112.7	P192	S190-P192 WeakPolarHBondContact O-CD 3.41Å
191	N	78.7	Confident	72.6	Confident	133 Å²	133	71.3 Å²	71.3	71%	0.711	41%	0.407	S	S	*	.	S	Bend	trans	-119.5	81.9	173.3	-68.6	-32.7	0	0	0	108.8	S189	S189-N191 PolarHBondContact O-N 2.03Å; S189-N191 PolarHBondContact OG-N 3.4Å; S189-N191 PolarHBondContact OG-O 3.1Å; S189-N191 VanDerWaalsContact OG-O 3.04Å
192	P	76.2	Confident	72.5	Confident	70 Å²	70	69.3 Å²	69.3	46%	0.455	39%	0.393	S	S	.	.			trans	-75.4	135.5	-178.2	29.8	-33.5	0	0	0	111.7	S190 L213	S190-P192 WeakPolarHBondContact O-CD 3.41Å; P192-L213 CarbonylContact C-O 3.53Å; P192-L213 WeakPolarHBondContact CA-O 3.36Å
193	I	74.8	Confident	72.8	Confident	97 Å²	97	72.3 Å²	72.3	50%	0.497	42%	0.415	S	S	.	.			trans	-100.4	113.5	169.7	-57	175.5	0	0	0	107.7	Y195 L213 G214 K215	I193-Y195 HydrophobicContact CB-CE2 4.42Å; I193-Y195 HydrophobicContact CG2-CD2 4.47Å; I193-Y195 HydrophobicContact CG2-CE1 4.05Å; I193-Y195 HydrophobicContact CG2-CE2 3.91Å; I193-L213 PolarHBondContact N-O 3.04Å; I193-G214 WeakPolarHBondContact O-CA 3.11Å; I193-K215 PolarHBondContact O-N 2.87Å
194	N	80.6	Confident	72.7	Confident	62 Å²	62	70.9 Å²	70.9	33%	0.332	41%	0.409	S	S	.	.			trans	-98.7	112.2	179.8	-63.9	-35.5	0	0	0	110	C196 K215	N194-C196 VanDerWaalsContact C-N 3.33Å; N194-K215 HydrophobicContact CB-CB 4.1Å; N194-K215 WeakPolarHBondContact OD1-CB 3.44Å; N194-K215 WeakPolarHBondContact OD1-CG 3.41Å; N194-K215 PolarHBondContact OD1-N 3.17Å
195	Y	76.1	Confident	72.6	Confident	108 Å²	108	74.5 Å²	74.5	42%	0.424	43%	0.431	S	S	.	.	S	Bend	trans	-84.1	-12.8	175.8	-64.5	-75.9	0	0	0	113.1	S85 I193 K215	S85-Y195 WeakPolarHBondContact OG-CA 3.3Å; S85-Y195 WeakPolarHBondContact OG-CB 3.37Å; S85-Y195 PolarHBondContact OG-O 3Å; I193-Y195 HydrophobicContact CB-CE2 4.42Å; I193-Y195 HydrophobicContact CG2-CD2 4.47Å; I193-Y195 HydrophobicContact CG2-CE1 4.05Å; I193-Y195 HydrophobicContact CG2-CE2 3.91Å; Y195-K215 WeakPolarHBondContact CD2-O 3.37Å; Y195-K215 PolarHBondContact N-O 3.34Å
196	C	79.5	Confident	73.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	41%	0.409	C	S	.	.			trans	-150	158.5	177.4	61.1	0	0	0	0	109.1	N194 D201 C208 K215	N194-C196 VanDerWaalsContact C-N 3.33Å; C196-D201 HydrophobicContact CB-CB 3.83Å; C196-C208 HydrophobicContact CB-CB 3.72Å; C196-C208 WeakPolarHBondContact CB-SG 3.34Å; C196-C208 PolarHBondContact O-SG 2.75Å; C196-C208 WeakPolarHBondContact SG-CA 2.85Å; C196-C208 WeakPolarHBondContact SG-CB 3.22Å; C196-C208 CovalentContact SG-SG 2.03Å; C196-C208 PolarHBondContact SG-SG 3.45Å; C196-K215 WeakPolarHBondContact O-CB 3Å
197	Y	82.3	Confident	74.3	Confident	122 Å²	122	70.8 Å²	70.8	48%	0.478	40%	0.397	S	S	.	.	S	Bend	trans	-114.1	-37.5	175.4	-64.3	-84.3	0	0	0	111.8	P153 D201 K215	P153-Y197 HydrophobicContact CB-CD1 3.46Å; P153-Y197 VanDerWaalsContact CB-CD1 3.46Å; P153-Y197 HydrophobicContact CB-CD2 4.13Å; P153-Y197 HydrophobicContact CB-CE1 3.86Å; P153-Y197 HydrophobicContact CB-CE2 4.49Å; P153-Y197 HydrophobicContact CB-CG 3.6Å; P153-Y197 HydrophobicContact CG-CD1 4.36Å; Y197-D201 WeakPolarHBondContact CA-OD2 3.48Å; Y197-D201 WeakPolarHBondContact CB-OD2 3.46Å; Y197-D201 PolarHBondContact N-OD2 2.77Å; Y197-K215 PolarHBondContact O-NZ 3.21Å
198	D	79.6	Confident	74.9	Confident	14 Å²	14	65.6 Å²	65.6	8%	0.075	37%	0.366	C	S	.	.	S	Bend	trans	-137.2	173	175.1	62.2	57.7	0	0	0	112.4	S155 L169 Y200 D201 C208	S155-D198 WeakPolarHBondContact CB-OD2 3.32Å; S155-D198 PolarHBondContact N-OD2 3.42Å; S155-D198 PolarHBondContact OG-OD1 2.87Å; L169-D198 HydrophobicContact CD2-CB 4.11Å; D198-Y200 PolarHBondContact O-N 3.49Å; D198-Y200 VanDerWaalsContact O-N 3.17Å; D198-Y200 WeakPolarHBondContact OD1-CA 3.29Å; D198-Y200 VanDerWaalsContact OD1-CB 3.28Å; D198-Y200 WeakPolarHBondContact OD1-CB 3.2Å; D198-Y200 PolarHBondContact OD1-N 2.03Å; D198-D201 PolarHBondContact N-OD2 3.46Å; D198-D201 WeakPolarHBondContact O-CB 2.99Å; D198-D201 PolarHBondContact O-N 2.84Å; D198-D201 PolarHBondContact OD1-N 2.03Å; D198-C208 WeakPolarHBondContact O-CB 3.35Å
199	D	79.8	Confident	75.5	Confident	24 Å²	24	62.3 Å²	62.3	13%	0.128	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-59.8	-25.9	-177.3	-71.4	-17.5	0	0	0	113.4	K177 C202 K207 C208	K177-D199 HydrophobicContact CB-CB 4.24Å; K177-D199 HydrophobicContact CD-CB 4.04Å; K177-D199 WeakPolarHBondContact CE-O 3.34Å; K177-D199 HydrophobicContact CG-CB 4.06Å; K177-D199 PolarHBondContact NZ-O 2.9Å; D199-C202 WeakPolarHBondContact O-CB 3.38Å; D199-C202 PolarHBondContact O-N 3.34Å; D199-K207 VanDerWaalsContact OD1-CA 3.23Å; D199-K207 WeakPolarHBondContact OD1-CA 3.34Å; D199-K207 VanDerWaalsContact OD1-CB 3.22Å; D199-K207 WeakPolarHBondContact OD1-CB 3.47Å; D199-K207 IonicContact OD1-NZ 3.62Å; D199-K207 WeakPolarHBondContact OD2-CE 3Å; D199-K207 IonicContact OD2-NZ 2.8Å; D199-K207 PolarHBondContact OD2-NZ 3.44Å; D199-C208 PolarHBondContact OD1-N 2.91Å
200	Y	75.6	Confident	75.8	Confident	67 Å²	67	63.8 Å²	63.8	26%	0.263	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-82.5	-17.9	-175.7	-61	-81.2	0	0	0	113.1	S155 L173 P175 G176 D198 C202	S155-Y200 WeakPolarHBondContact OG-CB 2.98Å; L173-Y200 WeakPolarHBondContact CA-OH 3.38Å; L173-Y200 HydrophobicContact CB-CD2 3.98Å; L173-Y200 HydrophobicContact CB-CE1 4.31Å; L173-Y200 HydrophobicContact CB-CE2 3.47Å; L173-Y200 VanDerWaalsContact CB-CE2 3.47Å; L173-Y200 HydrophobicContact CD1-CD1 4.48Å; L173-Y200 HydrophobicContact CD1-CD2 3.85Å; L173-Y200 HydrophobicContact CD1-CE2 4.24Å; L173-Y200 HydrophobicContact CD1-CG 3.99Å; L173-Y200 HydrophobicContact CD2-CD1 3.76Å; L173-Y200 HydrophobicContact CD2-CD2 4.35Å; L173-Y200 HydrophobicContact CD2-CE1 3.66Å; L173-Y200 HydrophobicContact CD2-CE2 4.27Å; L173-Y200 HydrophobicContact CD2-CG 4.1Å; L173-Y200 HydrophobicContact CG-CD2 4.28Å; L173-Y200 HydrophobicContact CG-CE1 4.45Å; L173-Y200 HydrophobicContact CG-CE2 4.19Å; L173-Y200 HydrophobicContact CG-CG 4.45Å; L173-Y200 WeakPolarHBondContact O-CE2 3.13Å; L173-Y200 PolarHBondContact O-OH 3.28Å; P175-Y200 PolarHBondContact O-OH 2.85Å; G176-Y200 WeakPolarHBondContact CA-OH 2.96Å; D198-Y200 PolarHBondContact O-N 3.49Å; D198-Y200 VanDerWaalsContact O-N 3.17Å; D198-Y200 WeakPolarHBondContact OD1-CA 3.29Å; D198-Y200 VanDerWaalsContact OD1-CB 3.28Å; D198-Y200 WeakPolarHBondContact OD1-CB 3.2Å; D198-Y200 PolarHBondContact OD1-N 2.03Å; Y200-C202 PolarHBondContact O-N 2.78Å
201	D	73.4	Confident	75.5	Confident	17 Å²	17	60 Å²	60	9%	0.091	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-66.5	-16.2	166	-63.9	-40	0	0	0	112.4	G154 C196 Y197 D198	G154-D201 WeakPolarHBondContact CA-OD1 3.32Å; G154-D201 WeakPolarHBondContact CA-OD2 3.18Å; C196-D201 HydrophobicContact CB-CB 3.83Å; Y197-D201 WeakPolarHBondContact CA-OD2 3.48Å; Y197-D201 WeakPolarHBondContact CB-OD2 3.46Å; Y197-D201 PolarHBondContact N-OD2 2.77Å; D198-D201 PolarHBondContact N-OD2 3.46Å; D198-D201 WeakPolarHBondContact O-CB 2.99Å; D198-D201 PolarHBondContact O-N 2.84Å; D198-D201 PolarHBondContact OD1-N 2.03Å
202	C	71.9	Confident	75.1	Confident	7 Å²	7	57.7 Å²	57.7	5%	0.047	31%	0.31	C	S	.	.	S	Bend	trans	-94.3	143.3	179.6	-59.5	0	0	0	0	111.5	K177 D199 Y200 K206 C217	K177-C202 PolarHBondContact NZ-O 2.84Å; D199-C202 WeakPolarHBondContact O-CB 3.38Å; D199-C202 PolarHBondContact O-N 3.34Å; Y200-C202 PolarHBondContact O-N 2.78Å; C202-K206 HydrophobicContact CB-CB 3.87Å; C202-K206 VanDerWaalsContact CB-O 3.26Å; C202-K206 WeakPolarHBondContact CB-O 3.18Å; C202-C217 WeakPolarHBondContact CA-SG 3.11Å; C202-C217 HydrophobicContact CB-CB 3.66Å; C202-C217 WeakPolarHBondContact CB-SG 3.25Å; C202-C217 WeakPolarHBondContact SG-CA 3.2Å; C202-C217 WeakPolarHBondContact SG-CB 3.23Å; C202-C217 CovalentContact SG-SG 2.03Å; C202-C217 PolarHBondContact SG-SG 2.03Å
203	S	70.8	Confident	74.7	Confident	99 Å²	99	59.5 Å²	59.5	69%	0.692	32%	0.315	S	S	*	.	S	Bend	trans	-78.7	146.4	175.1	-44.6	0	0	0	0	112.2
204	G	64.6	Low	74.8	Confident	56 Å²	56	54.9 Å²	54.9	58%	0.577	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-141	176.8	0	0	0	0	0	113	K177 K206	K177-G204 WeakPolarHBondContact CD-O 3.37Å; K177-G204 WeakPolarHBondContact CE-O 2.95Å; K177-G204 PolarHBondContact NZ-O 3.33Å; G204-K206 VanDerWaalsContact C-N 3.27Å; G204-K206 PolarHBondContact O-N 2.72Å
205	N	63.6	Low	74.8	Confident	140 Å²	140	55.3 Å²	55.3	75%	0.749	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	8.2	-175.5	-60.7	-12.3	0	0	0	114.3	P220	N205-P220 WeakPolarHBondContact O-CD 3.35Å; N205-P220 WeakPolarHBondContact O-CG 3.43Å
206	K	69.8	Low	74.8	Confident	94 Å²	94	50.6 Å²	50.6	41%	0.409	28%	0.275	S	S	.	.			trans	-73.5	140.8	-179.3	-65	176.2	-172.4	176.7	0	111.2	K177 C202 G204 C217 L218 I219	K177-K206 WeakPolarHBondContact CD-O 3.49Å; K177-K206 PolarHBondContact NZ-O 3.05Å; C202-K206 HydrophobicContact CB-CB 3.87Å; C202-K206 VanDerWaalsContact CB-O 3.26Å; C202-K206 WeakPolarHBondContact CB-O 3.18Å; G204-K206 VanDerWaalsContact C-N 3.27Å; G204-K206 PolarHBondContact O-N 2.72Å; K206-C217 HydrophobicContact CB-CB 4.31Å; K206-C217 HydrophobicContact CD-CB 4.32Å; K206-L218 CarbonylContact C-O 3.46Å; K206-L218 WeakPolarHBondContact CA-O 3.37Å; K206-L218 WeakPolarHBondContact CB-O 2.99Å; K206-I219 HydrophobicContact CG-CG1 4.31Å
207	K	75.7	Confident	74.6	Confident	27 Å²	27	52.8 Å²	52.8	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	154.4	174.6	-69.5	-177.3	77.3	73.1	0	111.3	K177 G179 D199 C209 C217 L218 P220	K177-K207 HydrophobicContact CB-CG 4.14Å; K177-K207 PolarHBondContact O-NZ 2.88Å; G179-K207 WeakPolarHBondContact O-CD 3.28Å; G179-K207 WeakPolarHBondContact O-CE 3.45Å; G179-K207 PolarHBondContact O-NZ 3.49Å; D199-K207 VanDerWaalsContact OD1-CA 3.23Å; D199-K207 WeakPolarHBondContact OD1-CA 3.34Å; D199-K207 VanDerWaalsContact OD1-CB 3.22Å; D199-K207 WeakPolarHBondContact OD1-CB 3.47Å; D199-K207 IonicContact OD1-NZ 3.62Å; D199-K207 WeakPolarHBondContact OD2-CE 3Å; D199-K207 IonicContact OD2-NZ 2.8Å; D199-K207 PolarHBondContact OD2-NZ 3.44Å; K207-C209 PolarHBondContact O-N 3.2Å; K207-C209 PolarHBondContact O-SG 3.25Å; K207-C217 CarbonylContact O-C 3.55Å; K207-C217 WeakPolarHBondContact O-CA 3.06Å; K207-L218 PolarHBondContact N-O 3.42Å; K207-L218 PolarHBondContact O-N 3.48Å; K207-P220 HydrophobicContact CB-CB 4.47Å; K207-P220 HydrophobicContact CD-CB 3.53Å; K207-P220 HydrophobicContact CD-CG 4.25Å; K207-P220 HydrophobicContact CG-CB 3.91Å; K207-P220 HydrophobicContact CG-CG 4.22Å
208	C	81.3	Confident	74.2	Confident	15 Å²	15	49.8 Å²	49.8	10%	0.101	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	106	175.5	-176.9	0	0	0	0	110.7	C196 D198 D199	C196-C208 HydrophobicContact CB-CB 3.72Å; C196-C208 WeakPolarHBondContact CB-SG 3.34Å; C196-C208 PolarHBondContact O-SG 2.75Å; C196-C208 WeakPolarHBondContact SG-CA 2.85Å; C196-C208 WeakPolarHBondContact SG-CB 3.22Å; C196-C208 CovalentContact SG-SG 2.03Å; C196-C208 PolarHBondContact SG-SG 3.45Å; D198-C208 WeakPolarHBondContact O-CB 3.35Å; D199-C208 PolarHBondContact OD1-N 2.91Å
209	C	82.8	Confident	73.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.8	-165.8	-61.6	0	0	0	0	112.5	C181 K207 K215 G216 L218	C181-C209 WeakPolarHBondContact CA-SG 3.5Å; C181-C209 HydrophobicContact CB-CB 3.58Å; C181-C209 WeakPolarHBondContact CB-SG 3.23Å; C181-C209 WeakPolarHBondContact SG-CA 3.43Å; C181-C209 WeakPolarHBondContact SG-CB 3.41Å; C181-C209 CovalentContact SG-SG 2.03Å; C181-C209 PolarHBondContact SG-SG 2.74Å; K207-C209 PolarHBondContact O-N 3.2Å; K207-C209 PolarHBondContact O-SG 3.25Å; C209-K215 CarbonylContact O-C 3.39Å; C209-K215 VanDerWaalsContact O-CA 3.29Å; C209-K215 WeakPolarHBondContact O-CA 3.35Å; C209-G216 PolarHBondContact N-O 3.46Å; C209-G216 PolarHBondContact O-N 3.17Å; C209-L218 HydrophobicContact CB-CB 4.07Å; C209-L218 HydrophobicContact CB-CD1 3.72Å; C209-L218 HydrophobicContact CB-CG 3.93Å
210	Q	79.5	Confident	72.9	Confident	73 Å²	73	54.7 Å²	54.7	34%	0.341	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.5	174.6	-175.7	63.6	48	0	0	110.8	F184	F184-Q210 HydrophobicContact CD1-CG 4.1Å; F184-Q210 HydrophobicContact CE1-CG 4.3Å
211	T	68.3	Low	72.1	Confident	35 Å²	35	55.5 Å²	55.5	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	178.5	175	77.5	0	0	0	0	110.3	F184 L213 G214 L218	F184-T211 VanDerWaalsContact CE2-C 3.42Å; T211-L213 VanDerWaalsContact C-N 3.27Å; T211-L213 PolarHBondContact O-N 3.44Å; T211-L213 PolarHBondContact OG1-N 2.8Å; T211-G214 WeakPolarHBondContact CA-O 3.33Å; T211-G214 WeakPolarHBondContact CB-O 3.09Å; T211-G214 PolarHBondContact N-O 3.41Å; T211-G214 PolarHBondContact O-N 3.17Å; T211-G214 PolarHBondContact OG1-N 3.43Å; T211-G214 PolarHBondContact OG1-O 3Å; T211-L218 HydrophobicContact CG2-CD1 4.17Å
212	V	70.4	Confident	71.1	Confident	83 Å²	83	58.1 Å²	58.1	50%	0.503	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-39.6	174.9	-175.7	0	0	0	0	111.1	F184 S189	F184-V212 HydrophobicContact CE2-CB 4.29Å; F184-V212 HydrophobicContact CE2-CG2 3.57Å; F184-V212 HydrophobicContact CZ-CB 4.45Å; F184-V212 HydrophobicContact CZ-CG2 4.02Å; S189-V212 VanDerWaalsContact CB-O 3.25Å; S189-V212 WeakPolarHBondContact CB-O 2.98Å; S189-V212 PolarHBondContact N-O 3.17Å
213	L	67.9	Low	69.8	Low	108 Å²	108	61.6 Å²	61.6	57%	0.565	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.6	-174.2	-64.3	177.2	0	0	0	113.7	P192 I193 T211	P192-L213 CarbonylContact C-O 3.53Å; P192-L213 WeakPolarHBondContact CA-O 3.36Å; I193-L213 PolarHBondContact N-O 3.04Å; T211-L213 VanDerWaalsContact C-N 3.27Å; T211-L213 PolarHBondContact O-N 3.44Å; T211-L213 PolarHBondContact OG1-N 2.8Å
214	G	76.9	Confident	68.6	Low	1 Å²	1	64 Å²	64	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.6	-153	-172.1	0	0	0	0	0	111	I193 T211	I193-G214 WeakPolarHBondContact O-CA 3.11Å; T211-G214 WeakPolarHBondContact CA-O 3.33Å; T211-G214 WeakPolarHBondContact CB-O 3.09Å; T211-G214 PolarHBondContact N-O 3.41Å; T211-G214 PolarHBondContact O-N 3.17Å; T211-G214 PolarHBondContact OG1-N 3.43Å; T211-G214 PolarHBondContact OG1-O 3Å
215	K	80.3	Confident	67.6	Low	70 Å²	70	62.2 Å²	62.2	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.1	178	-70.5	-177	171.9	-170.1	0	112.8	I193 N194 Y195 C196 Y197 C209	I193-K215 PolarHBondContact O-N 2.87Å; N194-K215 HydrophobicContact CB-CB 4.1Å; N194-K215 WeakPolarHBondContact OD1-CB 3.44Å; N194-K215 WeakPolarHBondContact OD1-CG 3.41Å; N194-K215 PolarHBondContact OD1-N 3.17Å; Y195-K215 WeakPolarHBondContact CD2-O 3.37Å; Y195-K215 PolarHBondContact N-O 3.34Å; C196-K215 WeakPolarHBondContact O-CB 3Å; Y197-K215 PolarHBondContact O-NZ 3.21Å; C209-K215 CarbonylContact O-C 3.39Å; C209-K215 VanDerWaalsContact O-CA 3.29Å; C209-K215 WeakPolarHBondContact O-CA 3.35Å
216	G	77	Confident	67	Low	9 Å²	9	58.8 Å²	58.8	9%	0.093	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.8	176.3	0	0	0	0	0	113	C209 L218	C209-G216 PolarHBondContact N-O 3.46Å; C209-G216 PolarHBondContact O-N 3.17Å; G216-L218 PolarHBondContact O-N 3.49Å
217	C	75.8	Confident	66.4	Low	47 Å²	47	59.9 Å²	59.9	32%	0.318	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	104.8	178.6	-67.1	0	0	0	0	111.3	C202 K206 K207	C202-C217 WeakPolarHBondContact CA-SG 3.11Å; C202-C217 HydrophobicContact CB-CB 3.66Å; C202-C217 WeakPolarHBondContact CB-SG 3.25Å; C202-C217 WeakPolarHBondContact SG-CA 3.2Å; C202-C217 WeakPolarHBondContact SG-CB 3.23Å; C202-C217 CovalentContact SG-SG 2.03Å; C202-C217 PolarHBondContact SG-SG 2.03Å; K206-C217 HydrophobicContact CB-CB 4.31Å; K206-C217 HydrophobicContact CD-CB 4.32Å; K207-C217 CarbonylContact O-C 3.55Å; K207-C217 WeakPolarHBondContact O-CA 3.06Å
218	L	74.1	Confident	65.6	Low	59 Å²	59	59.6 Å²	59.6	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	153.3	179.5	-58.7	-174.8	0	0	0	111	P182 K206 K207 C209 T211 G216	P182-L218 HydrophobicContact CG-CB 4.37Å; P182-L218 HydrophobicContact CG-CD1 4.26Å; K206-L218 CarbonylContact C-O 3.46Å; K206-L218 WeakPolarHBondContact CA-O 3.37Å; K206-L218 WeakPolarHBondContact CB-O 2.99Å; K207-L218 PolarHBondContact N-O 3.42Å; K207-L218 PolarHBondContact O-N 3.48Å; C209-L218 HydrophobicContact CB-CB 4.07Å; C209-L218 HydrophobicContact CB-CD1 3.72Å; C209-L218 HydrophobicContact CB-CG 3.93Å; T211-L218 HydrophobicContact CG2-CD1 4.17Å; G216-L218 PolarHBondContact O-N 3.49Å
219	I	66.6	Low	64.4	Low	129 Å²	129	63.2 Å²	63.2	66%	0.662	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-68.9	126.9	167	-60.6	172.9	0	0	0	106.2	P182 K206	P182-I219 WeakPolarHBondContact CG-O 3.41Å; K206-I219 HydrophobicContact CG-CG1 4.31Å
220	P	65	Low	63.4	Low	12 Å²	12	64.5 Å²	64.5	8%	0.078	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-67.3	144.1	-178.7	28.4	-35.6	0	0	0	111.8	I178 R180 N205 K207 N222	I178-P220 WeakPolarHBondContact O-CG 3.38Å; R180-P220 CarbonylContact O-C 3.53Å; R180-P220 WeakPolarHBondContact O-CA 3.19Å; R180-P220 VanDerWaalsContact O-CB 3.22Å; R180-P220 WeakPolarHBondContact O-CB 3.48Å; N205-P220 WeakPolarHBondContact O-CD 3.35Å; N205-P220 WeakPolarHBondContact O-CG 3.43Å; K207-P220 HydrophobicContact CB-CB 4.47Å; K207-P220 HydrophobicContact CD-CB 3.53Å; K207-P220 HydrophobicContact CD-CG 4.25Å; K207-P220 HydrophobicContact CG-CB 3.91Å; K207-P220 HydrophobicContact CG-CG 4.22Å; P220-N222 PolarHBondContact O-N 3.28Å
221	D	59.4	Low	63.1	Low	83 Å²	83	64 Å²	64	44%	0.444	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-67.9	122.9	161.4	-76.9	-1.3	0	0	0	107.5	R180 P182 D223	R180-D221 PolarHBondContact N-O 2.78Å; R180-D221 PolarHBondContact O-N 2.71Å; P182-D221 VanDerWaalsContact CA-OD2 3.25Å; P182-D221 WeakPolarHBondContact CA-OD2 3.37Å; D221-D223 VanDerWaalsContact C-N 3.26Å; D221-D223 PolarHBondContact O-N 2.86Å
222	N	51.4	Low	63.3	Low	73 Å²	73	64.8 Å²	64.8	39%	0.39	38%	0.376	S	S	.	.			trans	-74.7	84.5	175.6	-74.3	-34.2	0	0	0	109.1	P220 N224 G225 I226	P220-N222 PolarHBondContact O-N 3.28Å; N222-N224 CarbonylContact O-C 3.58Å; N222-N224 PolarHBondContact O-N 3.28Å; N222-G225 PolarHBondContact O-N 3.17Å; N222-G225 VanDerWaalsContact O-N 3.13Å; N222-I226 HydrophobicContact CB-CG1 3.75Å
223	D	45.7	Very low	63.5	Low	80 Å²	80	62.5 Å²	62.5	43%	0.428	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	37	176.1	-150.5	-0	0	0	0	112.8	R180 D221	R180-D223 HydrophobicContact CB-CB 4.07Å; R180-D223 WeakPolarHBondContact CD-OD2 3.23Å; R180-D223 HydrophobicContact CG-CB 3.73Å; R180-D223 IonicContact CZ-OD2 2.68Å; R180-D223 VanDerWaalsContact CZ-OD2 3.26Å; R180-D223 IonicContact NE-OD2 3.85Å; R180-D223 PolarHBondContact NE-OD2 2.86Å; R180-D223 IonicContact NH1-OD2 3.9Å; R180-D223 PolarHBondContact NH1-OD2 3.07Å; D221-D223 VanDerWaalsContact C-N 3.26Å; D221-D223 PolarHBondContact O-N 2.86Å
224	N	44.3	Very low	63.6	Low	150 Å²	150	65.3 Å²	65.3	80%	0.802	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	64.7	150.9	-84.6	-14	0	0	0	104.4	N222 I226	N222-N224 CarbonylContact O-C 3.58Å; N222-N224 PolarHBondContact O-N 3.28Å; N224-I226 PolarHBondContact O-N 3.29Å
225	G	44.6	Very low	63	Low	17 Å²	17	69.5 Å²	69.5	18%	0.175	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	22.5	89.3	177.6	0	0	0	0	0	115.8	N222 V227 H249	N222-G225 PolarHBondContact O-N 3.17Å; N222-G225 VanDerWaalsContact O-N 3.13Å; G225-V227 PolarHBondContact O-N 2.86Å; G225-H249 VanDerWaalsContact CA-CB 3.44Å
226	I	50.6	Low	61.6	Low	69 Å²	69	72.9 Å²	72.9	35%	0.354	43%	0.426	S	S	.	.			trans	-9.9	87.6	177.1	-60.4	172.3	0	0	0	111.8	N222 N224 K228 D250	N222-I226 HydrophobicContact CB-CG1 3.75Å; N224-I226 PolarHBondContact O-N 3.29Å; I226-K228 VanDerWaalsContact C-N 3.33Å; I226-K228 HydrophobicContact CG2-CG 3.87Å; I226-K228 PolarHBondContact O-N 2.04Å; I226-D250 WeakPolarHBondContact O-CB 2.92Å
227	V	56.9	Low	60.6	Low	117 Å²	117	75 Å²	75	71%	0.709	45%	0.448	S	S	*	.			trans	-69.7	99.5	179.9	-178.5	0	0	0	0	106.8	G225	G225-V227 PolarHBondContact O-N 2.86Å
228	K	58.3	Low	59.4	Low	21 Å²	21	76.3 Å²	76.3	9%	0.091	46%	0.462	C	S	.	.			trans	-71	144.4	177.4	-68.9	173.2	-171.8	175.1	0	108.4	I226 D250 C253 G255 R257 K258	I226-K228 VanDerWaalsContact C-N 3.33Å; I226-K228 HydrophobicContact CG2-CG 3.87Å; I226-K228 PolarHBondContact O-N 2.04Å; K228-D250 HydrophobicContact CD-CB 4.36Å; K228-D250 WeakPolarHBondContact CE-O 3.26Å; K228-D250 HydrophobicContact CG-CB 4.25Å; K228-D250 PolarHBondContact N-OD2 2.77Å; K228-D250 PolarHBondContact NZ-O 3.22Å; K228-C253 PolarHBondContact NZ-O 3.26Å; K228-G255 WeakPolarHBondContact CD-O 3.45Å; K228-G255 WeakPolarHBondContact CE-O 3.42Å; K228-G255 PolarHBondContact NZ-O 3.43Å; K228-R257 WeakPolarHBondContact CD-O 3.37Å; K228-R257 WeakPolarHBondContact CE-O 3.36Å; K228-R257 PolarHBondContact NZ-O 2.96Å; K228-K258 HydrophobicContact CB-CG 4.03Å; K228-K258 PolarHBondContact O-NZ 3.28Å
229	P	57.1	Low	58.5	Low	90 Å²	90	78.8 Å²	78.8	58%	0.584	47%	0.474	S	S	*	.	S	Bend	trans	-56.6	151.5	-179	-20.4	30	0	0	0	112.2	P271 Y273	P229-P271 WeakPolarHBondContact O-CG 3.47Å; P229-Y273 HydrophobicContact CB-CD1 4.47Å; P229-Y273 HydrophobicContact CB-CE1 4.05Å
230	G	61.2	Low	57.8	Low	28 Å²	28	78 Å²	78	29%	0.289	48%	0.476	S	S	.	.	S	Bend	trans	88.1	178	-175.3	0	0	0	0	0	114.9	K258 N272	G230-K258 VanDerWaalsContact O-CD 3.25Å; G230-K258 WeakPolarHBondContact O-CD 3.26Å; G230-K258 WeakPolarHBondContact O-CE 3.37Å; G230-K258 PolarHBondContact O-NZ 2.81Å; G230-N272 CarbonylContact C-O 3.41Å; G230-N272 VanDerWaalsContact CA-O 3.28Å; G230-N272 WeakPolarHBondContact CA-O 3.1Å
231	S	72.5	Confident	57.7	Low	62 Å²	62	80.6 Å²	80.6	43%	0.434	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-120.2	152.2	-174.1	-57.4	0	0	0	0	111.7	P271 N272	S231-P271 CarbonylContact O-C 3.58Å; S231-P271 WeakPolarHBondContact O-CA 3.03Å; S231-N272 PolarHBondContact N-O 3.11Å; S231-N272 PolarHBondContact O-N 3.39Å
232	C	73.8	Confident	57.8	Low	52 Å²	52	87.4 Å²	87.4	35%	0.351	52%	0.524	S	S	.	.			trans	-62.7	139.9	175.5	-72.9	0	0	0	0	111.4	L234 C260	C232-L234 PolarHBondContact O-N 2.8Å; C232-C260 VanDerWaalsContact CA-SG 3.51Å; C232-C260 HydrophobicContact CB-CB 3.68Å; C232-C260 WeakPolarHBondContact CB-SG 3.27Å; C232-C260 WeakPolarHBondContact SG-CA 3.26Å; C232-C260 WeakPolarHBondContact SG-CB 3.37Å; C232-C260 CovalentContact SG-SG 2.03Å; C232-C260 PolarHBondContact SG-SG 3.39Å
233	P	73.5	Confident	58.7	Low	35 Å²	35	89.4 Å²	89.4	23%	0.227	53%	0.531	C	S	.	.			trans	-61.4	138.7	174.9	26.6	-33.9	0	0	0	110.5	L235 L269	P233-L235 PolarHBondContact O-N 2.68Å; P233-L269 HydrophobicContact CG-CB 4.2Å; P233-L269 HydrophobicContact CG-CD1 3.7Å
234	L	70.1	Confident	60.1	Low	167 Å²	167	89.8 Å²	89.8	87%	0.874	54%	0.536	S	S	*	.			trans	-65	115.7	174.4	-98.7	152.3	0	0	0	109.2	C232	C232-L234 PolarHBondContact O-N 2.8Å
235	L	63.9	Low	61.9	Low	89 Å²	89	87.2 Å²	87.2	47%	0.466	52%	0.522	S	S	.	.			trans	-107.5	121.4	174	-66	171.6	0	0	0	108.7	P233 T262 L269	P233-L235 PolarHBondContact O-N 2.68Å; L235-T262 HydrophobicContact CD1-CG2 3.74Å; L235-L269 HydrophobicContact CD1-CD1 3.96Å
236	T	51.7	Low	63.7	Low	142 Å²	142	89.7 Å²	89.7	87%	0.871	54%	0.541	S	S	*	.			trans	-109.6	127.9	178.2	-37.2	0	0	0	0	109.5
237	G	56.1	Low	64.8	Low	53 Å²	53	86.6 Å²	86.6	55%	0.546	53%	0.526	S	S	.	.	S	Bend	trans	165.2	179.9	175.7	0	0	0	0	0	112.7	L263	G237-L263 WeakPolarHBondContact O-CD2 3.17Å
238	A	50.6	Low	65.9	Low	74 Å²	74	85.3 Å²	85.3	61%	0.612	52%	0.521	S	S	*	.			trans	-94.4	144	176.8	0	0	0	0	0	111.1	T240	A238-T240 PolarHBondContact O-N 2.68Å
239	I	55.8	Low	66.5	Low	112 Å²	112	87.7 Å²	87.7	57%	0.574	53%	0.533	S	S	*	.			trans	-64.7	115.7	174.3	-58.9	170.5	0	0	0	108.1
240	T	51.9	Low	67.1	Low	113 Å²	113	84.1 Å²	84.1	69%	0.693	51%	0.509	S	S	*	.			trans	-122.8	112.8	176.2	49.8	0	0	0	0	109.9	A238	A238-T240 PolarHBondContact O-N 2.68Å
241	G	61.5	Low	67.2	Low	66 Å²	66	84 Å²	84	68%	0.68	51%	0.508	S	S	*	.	S	Bend	trans	101.2	-172.6	170.7	0	0	0	0	0	115.5	Q243	G241-Q243 PolarHBondContact O-N 3.3Å
242	R	63	Low	67.2	Low	226 Å²	226	84.8 Å²	84.8	85%	0.853	51%	0.507	S	S	*	.			trans	-73.6	121.4	-179.8	175.8	176.5	149.1	174.1	-6.2	109.2
243	Q	70	Confident	66.9	Low	115 Å²	115	82.7 Å²	82.7	54%	0.537	49%	0.493	S	S	.	.			trans	-69.4	133.4	175.8	-65.6	-179.1	12.7	0	0	110.3	G241 G264	G241-Q243 PolarHBondContact O-N 3.3Å; Q243-G264 WeakPolarHBondContact CA-O 3.1Å
244	V	74.5	Confident	67	Low	88 Å²	88	89.8 Å²	89.8	53%	0.533	52%	0.52	S	S	.	.			trans	-130.6	117.2	173.6	-179.4	0	0	0	0	107.9	G264	V244-G264 PolarHBondContact N-O 3.48Å
245	D	82.2	Confident	67.1	Low	96 Å²	96	84.2 Å²	84.2	51%	0.513	50%	0.503	S	S	.	.			trans	-85.8	112	175.5	-67.4	-23.5	0	0	0	109.4	C247 G265 K266	D245-C247 VanDerWaalsContact C-N 3.34Å; D245-G265 WeakPolarHBondContact OD1-CA 3.45Å; D245-K266 HydrophobicContact CB-CB 4.11Å; D245-K266 WeakPolarHBondContact OD1-CB 3.32Å; D245-K266 WeakPolarHBondContact OD1-CG 3.29Å; D245-K266 PolarHBondContact OD1-N 3.23Å
246	A	81.8	Confident	67.2	Low	69 Å²	69	85.8 Å²	85.8	57%	0.57	51%	0.508	S	S	*	.	S	Bend	trans	-86.4	-9.8	174.8	0	0	0	0	0	112.7	K266 L267	A246-K266 PolarHBondContact N-O 2.7Å; A246-L267 HydrophobicContact CB-CD1 4.02Å
247	C	75.1	Confident	68.3	Low	4 Å²	4	84.6 Å²	84.6	3%	0.027	49%	0.488	C	S	.	.			trans	-149.7	151.6	176.8	59.8	0	0	0	0	109.6	D245 D252 C259 K266	D245-C247 VanDerWaalsContact C-N 3.34Å; C247-D252 HydrophobicContact CB-CB 3.77Å; C247-C259 HydrophobicContact CB-CB 3.77Å; C247-C259 WeakPolarHBondContact CB-SG 3.49Å; C247-C259 PolarHBondContact O-SG 2.88Å; C247-C259 WeakPolarHBondContact SG-CA 3.38Å; C247-C259 WeakPolarHBondContact SG-CB 3.46Å; C247-C259 CovalentContact SG-SG 2.03Å; C247-C259 PolarHBondContact SG-SG 3.2Å; C247-K266 VanDerWaalsContact O-CB 3.28Å; C247-K266 WeakPolarHBondContact O-CB 3.33Å; C247-K266 VanDerWaalsContact O-CD 3.25Å; C247-K266 WeakPolarHBondContact O-CD 3.37Å
248	S	79	Confident	69.3	Low	89 Å²	89	82.9 Å²	82.9	62%	0.622	47%	0.465	S	S	*	.	S	Bend	trans	-100.9	-36.8	173.5	-62.4	0	0	0	0	111.4	D252 K266	S248-D252 WeakPolarHBondContact CA-OD2 3Å; S248-D252 WeakPolarHBondContact CB-OD2 3.44Å; S248-D252 PolarHBondContact N-OD2 3.4Å; S248-K266 PolarHBondContact O-NZ 3.39Å
249	H	70.5	Confident	70.6	Confident	72 Å²	72	80.1 Å²	80.1	33%	0.333	44%	0.442	S	S	.	.	S	Bend	trans	-145.3	162.9	177.1	52.5	51	0	0	0	112.6	G225 G251 D252 C259	G225-H249 VanDerWaalsContact CA-CB 3.44Å; H249-G251 WeakPolarHBondContact ND1-CA 3Å; H249-G251 PolarHBondContact ND1-N 2.78Å; H249-G251 PolarHBondContact O-N 2.84Å; H249-D252 VanDerWaalsContact CE1-CG 3.48Å; H249-D252 IonicContact CE1-OD1 3.95Å; H249-D252 PolarHBondContact CE1-OD1 2.82Å; H249-D252 IonicContact CE1-OD2 3.01Å; H249-D252 IonicContact CG-OD2 2.6Å; H249-D252 PolarHBondContact N-OD2 2.87Å; H249-D252 PolarHBondContact ND1-N 3.29Å; H249-D252 IonicContact ND1-OD1 3.87Å; H249-D252 PolarHBondContact ND1-OD1 3.38Å; H249-D252 IonicContact ND1-OD2 3.08Å; H249-D252 PolarHBondContact ND1-OD2 3.35Å; H249-D252 IonicContact NE2-OD1 3.55Å; H249-D252 WeakPolarHBondContact O-CB 3.32Å; H249-D252 PolarHBondContact O-N 3.47Å; H249-C259 WeakPolarHBondContact O-CB 3.42Å
250	D	69.2	Low	71.9	Confident	15 Å²	15	74.9 Å²	74.9	8%	0.08	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-47.2	-32	177.5	-78.5	3.9	0	0	0	113.7	I226 K228 D252 C253 K258 C259	I226-D250 WeakPolarHBondContact O-CB 2.92Å; K228-D250 HydrophobicContact CD-CB 4.36Å; K228-D250 WeakPolarHBondContact CE-O 3.26Å; K228-D250 HydrophobicContact CG-CB 4.25Å; K228-D250 PolarHBondContact N-OD2 2.77Å; K228-D250 PolarHBondContact NZ-O 3.22Å; D250-D252 PolarHBondContact O-N 2.95Å; D250-C253 WeakPolarHBondContact O-CB 3.35Å; D250-C253 PolarHBondContact O-N 2.69Å; D250-C253 VanDerWaalsContact O-N 3.14Å; D250-K258 VanDerWaalsContact OD1-CA 3.25Å; D250-K258 WeakPolarHBondContact OD1-CA 2.97Å; D250-K258 VanDerWaalsContact OD1-CB 3.25Å; D250-K258 WeakPolarHBondContact OD1-CB 3.03Å; D250-K258 WeakPolarHBondContact OD2-CE 3.32Å; D250-K258 WeakPolarHBondContact OD2-CG 3.31Å; D250-K258 IonicContact OD2-NZ 2.99Å; D250-K258 PolarHBondContact OD2-NZ 2.72Å; D250-C259 PolarHBondContact OD1-N 2.82Å
251	G	64.9	Low	73.3	Confident	25 Å²	25	75.3 Å²	75.3	26%	0.258	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-64	-19.1	176.4	0	0	0	0	0	115.7	H249 C253	H249-G251 WeakPolarHBondContact ND1-CA 3Å; H249-G251 PolarHBondContact ND1-N 2.78Å; H249-G251 PolarHBondContact O-N 2.84Å; G251-C253 PolarHBondContact O-N 2.74Å
252	D	72.6	Confident	74	Confident	79 Å²	79	74.2 Å²	74.2	42%	0.422	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-79.6	-13.2	176.6	-59.4	-38.3	0	0	0	112	C247 S248 H249 D250	C247-D252 HydrophobicContact CB-CB 3.77Å; S248-D252 WeakPolarHBondContact CA-OD2 3Å; S248-D252 WeakPolarHBondContact CB-OD2 3.44Å; S248-D252 PolarHBondContact N-OD2 3.4Å; H249-D252 VanDerWaalsContact CE1-CG 3.48Å; H249-D252 IonicContact CE1-OD1 3.95Å; H249-D252 PolarHBondContact CE1-OD1 2.82Å; H249-D252 IonicContact CE1-OD2 3.01Å; H249-D252 IonicContact CG-OD2 2.6Å; H249-D252 PolarHBondContact N-OD2 2.87Å; H249-D252 PolarHBondContact ND1-N 3.29Å; H249-D252 IonicContact ND1-OD1 3.87Å; H249-D252 PolarHBondContact ND1-OD1 3.38Å; H249-D252 IonicContact ND1-OD2 3.08Å; H249-D252 PolarHBondContact ND1-OD2 3.35Å; H249-D252 IonicContact NE2-OD1 3.55Å; H249-D252 WeakPolarHBondContact O-CB 3.32Å; H249-D252 PolarHBondContact O-N 3.47Å; D250-D252 PolarHBondContact O-N 2.95Å
253	C	67.6	Low	74.8	Confident	8 Å²	8	66.3 Å²	66.3	5%	0.054	37%	0.367	C	S	.	.	S	Bend	trans	-92.1	138.6	-176.1	-60.8	0	0	0	0	110.8	K228 D250 G251 R257 C268	K228-C253 PolarHBondContact NZ-O 3.26Å; D250-C253 WeakPolarHBondContact O-CB 3.35Å; D250-C253 PolarHBondContact O-N 2.69Å; D250-C253 VanDerWaalsContact O-N 3.14Å; G251-C253 PolarHBondContact O-N 2.74Å; C253-R257 HydrophobicContact CB-CB 3.88Å; C253-R257 WeakPolarHBondContact CB-O 3.42Å; C253-C268 WeakPolarHBondContact CA-SG 2.97Å; C253-C268 HydrophobicContact CB-CB 3.55Å; C253-C268 WeakPolarHBondContact CB-SG 3.42Å; C253-C268 WeakPolarHBondContact SG-CA 3.36Å; C253-C268 WeakPolarHBondContact SG-CB 3.39Å; C253-C268 CovalentContact SG-SG 2.03Å; C253-C268 PolarHBondContact SG-SG 3.38Å
254	F	75.7	Confident	75.1	Confident	183 Å²	183	62.4 Å²	62.4	80%	0.803	36%	0.358	S	S	*	.	S	Bend	trans	-74.7	141.9	176.4	-171	-96.7	0	0	0	111.7
255	G	70.7	Confident	75.4	Confident	50 Å²	50	58.5 Å²	58.5	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	-140.9	177.9	0	0	0	0	0	113.1	K228 R257	K228-G255 WeakPolarHBondContact CD-O 3.45Å; K228-G255 WeakPolarHBondContact CE-O 3.42Å; K228-G255 PolarHBondContact NZ-O 3.43Å; G255-R257 VanDerWaalsContact C-N 3.26Å; G255-R257 PolarHBondContact O-N 2.95Å
256	E	66.6	Low	75.4	Confident	123 Å²	123	56.9 Å²	56.9	58%	0.575	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.1	-176.5	-74.1	175.5	176.5	0	0	114.9	P271 Y273	E256-P271 VanDerWaalsContact O-CD 3.23Å; E256-P271 WeakPolarHBondContact O-CD 3.44Å; E256-P271 WeakPolarHBondContact O-CG 3.3Å; E256-Y273 VanDerWaalsContact CB-OH 3.3Å; E256-Y273 WeakPolarHBondContact CB-OH 3.43Å; E256-Y273 VanDerWaalsContact CD-OH 3.28Å; E256-Y273 WeakPolarHBondContact CG-OH 3.34Å; E256-Y273 PolarHBondContact OE2-OH 3.11Å
257	R	75	Confident	75.6	Confident	116 Å²	116	57.8 Å²	57.8	44%	0.438	32%	0.318	S	S	.	.			trans	-67.9	135.8	-172.7	-68.7	179.4	167	136.4	-2.8	113	K228 C253 G255 C268 L269 L270	K228-R257 WeakPolarHBondContact CD-O 3.37Å; K228-R257 WeakPolarHBondContact CE-O 3.36Å; K228-R257 PolarHBondContact NZ-O 2.96Å; C253-R257 HydrophobicContact CB-CB 3.88Å; C253-R257 WeakPolarHBondContact CB-O 3.42Å; G255-R257 VanDerWaalsContact C-N 3.26Å; G255-R257 PolarHBondContact O-N 2.95Å; R257-C268 HydrophobicContact CB-CB 4.23Å; R257-L269 CarbonylContact C-O 3.52Å; R257-L269 WeakPolarHBondContact CA-O 2.97Å; R257-L269 WeakPolarHBondContact CB-O 2.98Å; R257-L270 HydrophobicContact CG-CD2 4.12Å; R257-L270 HydrophobicContact CG-CG 4.26Å
258	K	76.8	Confident	75.9	Confident	17 Å²	17	59.2 Å²	59.2	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	150.4	173.8	-68.3	-178.5	73	73.1	0	111.5	K228 G230 D250 C260 C268 L269 P271	K228-K258 HydrophobicContact CB-CG 4.03Å; K228-K258 PolarHBondContact O-NZ 3.28Å; G230-K258 VanDerWaalsContact O-CD 3.25Å; G230-K258 WeakPolarHBondContact O-CD 3.26Å; G230-K258 WeakPolarHBondContact O-CE 3.37Å; G230-K258 PolarHBondContact O-NZ 2.81Å; D250-K258 VanDerWaalsContact OD1-CA 3.25Å; D250-K258 WeakPolarHBondContact OD1-CA 2.97Å; D250-K258 VanDerWaalsContact OD1-CB 3.25Å; D250-K258 WeakPolarHBondContact OD1-CB 3.03Å; D250-K258 WeakPolarHBondContact OD2-CE 3.32Å; D250-K258 WeakPolarHBondContact OD2-CG 3.31Å; D250-K258 IonicContact OD2-NZ 2.99Å; D250-K258 PolarHBondContact OD2-NZ 2.72Å; K258-C260 PolarHBondContact O-N 3.36Å; K258-C268 CarbonylContact O-C 3.44Å; K258-C268 VanDerWaalsContact O-CA 3.31Å; K258-C268 WeakPolarHBondContact O-CA 3.35Å; K258-L269 PolarHBondContact N-O 2.84Å; K258-L269 PolarHBondContact O-N 2.75Å; K258-P271 HydrophobicContact CD-CB 3.57Å; K258-P271 HydrophobicContact CD-CG 4.45Å; K258-P271 HydrophobicContact CG-CB 3.93Å; K258-P271 HydrophobicContact CG-CG 4.38Å
259	C	79	Confident	76	Confident	17 Å²	17	56.8 Å²	56.8	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	101.7	173.2	-176.8	0	0	0	0	109.2	C247 H249 D250	C247-C259 HydrophobicContact CB-CB 3.77Å; C247-C259 WeakPolarHBondContact CB-SG 3.49Å; C247-C259 PolarHBondContact O-SG 2.88Å; C247-C259 WeakPolarHBondContact SG-CA 3.38Å; C247-C259 WeakPolarHBondContact SG-CB 3.46Å; C247-C259 CovalentContact SG-SG 2.03Å; C247-C259 PolarHBondContact SG-SG 3.2Å; H249-C259 WeakPolarHBondContact O-CB 3.42Å; D250-C259 PolarHBondContact OD1-N 2.82Å
260	C	81.7	Confident	76.4	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.7	-169.2	-64.7	0	0	0	0	111.4	C232 K258 T262 K266 L267 L269	C232-C260 VanDerWaalsContact CA-SG 3.51Å; C232-C260 HydrophobicContact CB-CB 3.68Å; C232-C260 WeakPolarHBondContact CB-SG 3.27Å; C232-C260 WeakPolarHBondContact SG-CA 3.26Å; C232-C260 WeakPolarHBondContact SG-CB 3.37Å; C232-C260 CovalentContact SG-SG 2.03Å; C232-C260 PolarHBondContact SG-SG 3.39Å; K258-C260 PolarHBondContact O-N 3.36Å; C260-T262 PolarHBondContact O-N 2.74Å; C260-K266 WeakPolarHBondContact O-CA 3.18Å; C260-L267 PolarHBondContact N-O 2.77Å; C260-L267 PolarHBondContact O-N 3.23Å; C260-L269 HydrophobicContact CB-CB 4.24Å; C260-L269 HydrophobicContact CB-CD1 3.77Å; C260-L269 HydrophobicContact CB-CG 4.07Å
261	N	81.3	Confident	76.4	Confident	123 Å²	123	58.1 Å²	58.1	66%	0.658	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.1	171.2	-64.3	-36.7	0	0	0	109.4	K266	N261-K266 WeakPolarHBondContact OD1-CG 3.28Å
262	T	77.2	Confident	76.3	Confident	43 Å²	43	61.3 Å²	61.3	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	174.8	172.9	78.2	0	0	0	0	110.1	L235 C260 G264 G265 L267 L269	L235-T262 HydrophobicContact CD1-CG2 3.74Å; C260-T262 PolarHBondContact O-N 2.74Å; T262-G264 PolarHBondContact O-N 3.33Å; T262-G264 VanDerWaalsContact O-N 3.13Å; T262-G264 PolarHBondContact OG1-N 3.2Å; T262-G265 WeakPolarHBondContact CA-O 3.08Å; T262-G265 WeakPolarHBondContact CB-O 3.4Å; T262-G265 PolarHBondContact N-O 2.77Å; T262-G265 PolarHBondContact O-N 2.64Å; T262-G265 PolarHBondContact OG1-O 2.79Å; T262-L267 HydrophobicContact CG2-CB 3.78Å; T262-L269 HydrophobicContact CG2-CD1 4.1Å
263	L	78.6	Confident	75.3	Confident	60 Å²	60	62.9 Å²	62.9	31%	0.314	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.5	176.8	-59.7	170.8	0	0	0	113.6	G237	G237-L263 WeakPolarHBondContact O-CD2 3.17Å
264	G	76.2	Confident	74.4	Confident	33 Å²	33	67.6 Å²	67.6	34%	0.34	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	15.4	-177.5	0	0	0	0	0	115.2	Q243 V244 T262	Q243-G264 WeakPolarHBondContact CA-O 3.1Å; V244-G264 PolarHBondContact N-O 3.48Å; T262-G264 PolarHBondContact O-N 3.33Å; T262-G264 VanDerWaalsContact O-N 3.13Å; T262-G264 PolarHBondContact OG1-N 3.2Å
265	G	80.8	Confident	72.9	Confident	5 Å²	5	60.3 Å²	60.3	5%	0.052	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.8	-168.6	-172.4	0	0	0	0	0	112.2	D245 T262	D245-G265 WeakPolarHBondContact OD1-CA 3.45Å; T262-G265 WeakPolarHBondContact CA-O 3.08Å; T262-G265 WeakPolarHBondContact CB-O 3.4Å; T262-G265 PolarHBondContact N-O 2.77Å; T262-G265 PolarHBondContact O-N 2.64Å; T262-G265 PolarHBondContact OG1-O 2.79Å
266	K	82.6	Confident	71.8	Confident	63 Å²	63	66.5 Å²	66.5	27%	0.274	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.2	179.6	-69.5	178.1	177.6	-176.4	0	112.9	D245 A246 C247 S248 C260 N261	D245-K266 HydrophobicContact CB-CB 4.11Å; D245-K266 WeakPolarHBondContact OD1-CB 3.32Å; D245-K266 WeakPolarHBondContact OD1-CG 3.29Å; D245-K266 PolarHBondContact OD1-N 3.23Å; A246-K266 PolarHBondContact N-O 2.7Å; C247-K266 VanDerWaalsContact O-CB 3.28Å; C247-K266 WeakPolarHBondContact O-CB 3.33Å; C247-K266 VanDerWaalsContact O-CD 3.25Å; C247-K266 WeakPolarHBondContact O-CD 3.37Å; S248-K266 PolarHBondContact O-NZ 3.39Å; C260-K266 WeakPolarHBondContact O-CA 3.18Å; N261-K266 WeakPolarHBondContact OD1-CG 3.28Å
267	L	85.8	Confident	71.3	Confident	87 Å²	87	65 Å²	65	46%	0.455	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.6	178.5	-159.4	76.3	0	0	0	111.7	A246 C260 T262 L269	A246-L267 HydrophobicContact CB-CD1 4.02Å; C260-L267 PolarHBondContact N-O 2.77Å; C260-L267 PolarHBondContact O-N 3.23Å; T262-L267 HydrophobicContact CG2-CB 3.78Å; L267-L269 HydrophobicContact CD2-CD2 4.04Å; L267-L269 PolarHBondContact O-N 3.23Å
268	C	81.5	Confident	71	Confident	35 Å²	35	61.4 Å²	61.4	24%	0.236	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	107.4	174	-64.6	0	0	0	0	112.2	C253 R257 K258	C253-C268 WeakPolarHBondContact CA-SG 2.97Å; C253-C268 HydrophobicContact CB-CB 3.55Å; C253-C268 WeakPolarHBondContact CB-SG 3.42Å; C253-C268 WeakPolarHBondContact SG-CA 3.36Å; C253-C268 WeakPolarHBondContact SG-CB 3.39Å; C253-C268 CovalentContact SG-SG 2.03Å; C253-C268 PolarHBondContact SG-SG 3.38Å; R257-C268 HydrophobicContact CB-CB 4.23Å; K258-C268 CarbonylContact O-C 3.44Å; K258-C268 VanDerWaalsContact O-CA 3.31Å; K258-C268 WeakPolarHBondContact O-CA 3.35Å
269	L	82.9	Confident	70.7	Confident	37 Å²	37	65.3 Å²	65.3	19%	0.194	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.7	-179.6	-59.3	-177.9	0	0	0	111.5	P233 L235 R257 K258 C260 T262 L267	P233-L269 HydrophobicContact CG-CB 4.2Å; P233-L269 HydrophobicContact CG-CD1 3.7Å; L235-L269 HydrophobicContact CD1-CD1 3.96Å; R257-L269 CarbonylContact C-O 3.52Å; R257-L269 WeakPolarHBondContact CA-O 2.97Å; R257-L269 WeakPolarHBondContact CB-O 2.98Å; K258-L269 PolarHBondContact N-O 2.84Å; K258-L269 PolarHBondContact O-N 2.75Å; C260-L269 HydrophobicContact CB-CB 4.24Å; C260-L269 HydrophobicContact CB-CD1 3.77Å; C260-L269 HydrophobicContact CB-CG 4.07Å; T262-L269 HydrophobicContact CG2-CD1 4.1Å; L267-L269 HydrophobicContact CD2-CD2 4.04Å; L267-L269 PolarHBondContact O-N 3.23Å
270	L	78.2	Confident	70.5	Confident	105 Å²	105	65.8 Å²	65.8	55%	0.55	37%	0.366	S	S	.	.			trans	-66.5	131.7	169.1	-77.5	162.8	0	0	0	109.1	R257	R257-L270 HydrophobicContact CG-CD2 4.12Å; R257-L270 HydrophobicContact CG-CG 4.26Å
271	P	69.5	Low	70.5	Confident	10 Å²	10	68.5 Å²	68.5	7%	0.065	39%	0.386	C	S	.	.			trans	-71.6	149.1	178.2	29.9	-34.6	0	0	0	111.5	P229 S231 E256 K258 Y273	P229-P271 WeakPolarHBondContact O-CG 3.47Å; S231-P271 CarbonylContact O-C 3.58Å; S231-P271 WeakPolarHBondContact O-CA 3.03Å; E256-P271 VanDerWaalsContact O-CD 3.23Å; E256-P271 WeakPolarHBondContact O-CD 3.44Å; E256-P271 WeakPolarHBondContact O-CG 3.3Å; K258-P271 HydrophobicContact CD-CB 3.57Å; K258-P271 HydrophobicContact CD-CG 4.45Å; K258-P271 HydrophobicContact CG-CB 3.93Å; K258-P271 HydrophobicContact CG-CG 4.38Å; P271-Y273 HydrophobicContact CG-CD2 4.32Å; P271-Y273 HydrophobicContact CG-CE1 4.27Å; P271-Y273 HydrophobicContact CG-CE2 3.62Å; P271-Y273 PolarHBondContact O-N 2.04Å
272	N	62.9	Low	70.6	Confident	93 Å²	93	65 Å²	65	50%	0.497	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-76	109.1	158	-73.2	-18.1	0	0	0	107.7	G230 S231 V274	G230-N272 CarbonylContact C-O 3.41Å; G230-N272 VanDerWaalsContact CA-O 3.28Å; G230-N272 WeakPolarHBondContact CA-O 3.1Å; S231-N272 PolarHBondContact N-O 3.11Å; S231-N272 PolarHBondContact O-N 3.39Å; N272-V274 PolarHBondContact O-N 3.07Å; N272-V274 VanDerWaalsContact O-N 3.11Å
273	Y	50.7	Low	70.9	Confident	112 Å²	112	65.1 Å²	65.1	44%	0.439	37%	0.372	S	S	.	.			trans	-72.7	103.2	167.4	-64.4	-87	0	0	0	107.6	P229 E256 P271 S275	P229-Y273 HydrophobicContact CB-CD1 4.47Å; P229-Y273 HydrophobicContact CB-CE1 4.05Å; E256-Y273 VanDerWaalsContact CB-OH 3.3Å; E256-Y273 WeakPolarHBondContact CB-OH 3.43Å; E256-Y273 VanDerWaalsContact CD-OH 3.28Å; E256-Y273 WeakPolarHBondContact CG-OH 3.34Å; E256-Y273 PolarHBondContact OE2-OH 3.11Å; P271-Y273 HydrophobicContact CG-CD2 4.32Å; P271-Y273 HydrophobicContact CG-CE1 4.27Å; P271-Y273 HydrophobicContact CG-CE2 3.62Å; P271-Y273 PolarHBondContact O-N 2.04Å; Y273-S275 VanDerWaalsContact C-N 3.34Å; Y273-S275 PolarHBondContact O-N 2.89Å
274	V	49.5	Very low	70.8	Confident	106 Å²	106	70 Å²	70	64%	0.642	40%	0.397	S	S	*	.			trans	-63.5	109.9	156.6	-170.4	0	0	0	0	103.3	N272 E276	N272-V274 PolarHBondContact O-N 3.07Å; N272-V274 VanDerWaalsContact O-N 3.11Å; V274-E276 PolarHBondContact O-N 3.39Å; V274-E276 VanDerWaalsContact O-N 3.12Å
275	S	43.8	Very low	70.7	Confident	30 Å²	30	72 Å²	72	21%	0.21	40%	0.4	C	S	.	.			trans	-41.1	125.2	175.8	44.6	0	0	0	0	108.1	Y273 T277	Y273-S275 VanDerWaalsContact C-N 3.34Å; Y273-S275 PolarHBondContact O-N 2.89Å; S275-T277 WeakPolarHBondContact O-CG2 3.37Å; S275-T277 PolarHBondContact O-N 3.22Å
276	E	47.4	Very low	70.2	Confident	181 Å²	181	79.9 Å²	79.9	85%	0.846	44%	0.44	S	S	*	.			trans	-48.8	98.1	170	-71.7	-177.2	169.3	0	0	106.8	V274 K278	V274-E276 PolarHBondContact O-N 3.39Å; V274-E276 VanDerWaalsContact O-N 3.12Å; E276-K278 PolarHBondContact O-N 2.78Å; E276-K278 VanDerWaalsContact O-N 3.16Å
277	T	57	Low	69.7	Low	91 Å²	91	79.5 Å²	79.5	56%	0.558	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-72.6	118.6	-175.2	43.1	0	0	0	0	104.7	S275 D300	S275-T277 WeakPolarHBondContact O-CG2 3.37Å; S275-T277 PolarHBondContact O-N 3.22Å; T277-D300 WeakPolarHBondContact CA-OD2 3.25Å
278	K	67.6	Low	69.2	Low	40 Å²	40	80.1 Å²	80.1	17%	0.174	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-55.4	147	175.1	-70.2	169	-176.3	175.7	0	109.1	E276 D300 C303 G305 R307 K308	E276-K278 PolarHBondContact O-N 2.78Å; E276-K278 VanDerWaalsContact O-N 3.16Å; K278-D300 HydrophobicContact CB-CB 4.49Å; K278-D300 HydrophobicContact CD-CB 4.2Å; K278-D300 WeakPolarHBondContact CE-O 3.46Å; K278-D300 HydrophobicContact CG-CB 4.12Å; K278-D300 PolarHBondContact N-OD2 2.03Å; K278-D300 PolarHBondContact NZ-O 3.47Å; K278-C303 PolarHBondContact NZ-O 2.94Å; K278-G305 WeakPolarHBondContact CD-O 2.99Å; K278-G305 WeakPolarHBondContact CE-O 3.38Å; K278-G305 PolarHBondContact NZ-O 2.04Å; K278-R307 WeakPolarHBondContact CD-O 3.01Å; K278-R307 PolarHBondContact NZ-O 2.87Å; K278-K308 HydrophobicContact CB-CG 3.98Å; K278-K308 PolarHBondContact O-NZ 3.06Å
279	P	71.3	Confident	69.1	Low	99 Å²	99	83.9 Å²	83.9	64%	0.643	48%	0.475	S	S	*	.	S	Bend	trans	-50.8	149.7	-178.4	-28.1	35.5	0	0	0	113.2	P321 F323	P279-P321 WeakPolarHBondContact O-CG 3.39Å; P279-F323 HydrophobicContact CB-CE1 3.99Å
280	G	73.4	Confident	69	Low	27 Å²	27	86.7 Å²	86.7	28%	0.278	49%	0.49	S	S	.	.	S	Bend	trans	86.6	175.5	-178.6	0	0	0	0	0	115.2	K308	G280-K308 VanDerWaalsContact O-CD 3.25Å; G280-K308 WeakPolarHBondContact O-CD 3.38Å; G280-K308 WeakPolarHBondContact O-CE 3.33Å; G280-K308 PolarHBondContact O-NZ 3.08Å
281	S	81.7	Confident	69	Low	59 Å²	59	88 Å²	88	41%	0.413	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-111.2	148.4	-172.2	-64.6	0	0	0	0	112.1	P321 D322	S281-P321 CarbonylContact O-C 3.54Å; S281-P321 WeakPolarHBondContact O-CA 3.39Å; S281-D322 PolarHBondContact N-O 3.24Å; S281-D322 PolarHBondContact O-N 3.04Å
282	C	84	Confident	69.6	Low	48 Å²	48	93 Å²	93	32%	0.324	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-66.8	142	172.5	-76.2	0	0	0	0	111.1	L284 C310	C282-L284 PolarHBondContact O-N 3.21Å; C282-C310 WeakPolarHBondContact CA-SG 3.18Å; C282-C310 HydrophobicContact CB-CB 3.63Å; C282-C310 WeakPolarHBondContact CB-SG 2.99Å; C282-C310 WeakPolarHBondContact SG-CA 3.32Å; C282-C310 WeakPolarHBondContact SG-CB 3.29Å; C282-C310 CovalentContact SG-SG 2.03Å; C282-C310 PolarHBondContact SG-SG 3.27Å
283	P	83.3	Confident	70.4	Confident	46 Å²	46	89.8 Å²	89.8	30%	0.299	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-54.1	140.3	171.8	-24.7	33.4	0	0	0	111.1	L285 L319	P283-L285 PolarHBondContact O-N 2.86Å; P283-L319 HydrophobicContact CG-CD1 4.13Å
284	L	76.3	Confident	72	Confident	163 Å²	163	87.8 Å²	87.8	85%	0.853	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-62.5	123.3	-179.8	-75.1	167.3	0	0	0	111.1	C282 L286	C282-L284 PolarHBondContact O-N 3.21Å; L284-L286 PolarHBondContact O-N 2.82Å
285	L	74.5	Confident	73.8	Confident	74 Å²	74	85.3 Å²	85.3	39%	0.387	51%	0.511	S	S	.	.			trans	-75	111.9	170.6	-175.6	95.2	0	0	0	110.1	P283 G287 S311 I313	P283-L285 PolarHBondContact O-N 2.86Å; L285-G287 WeakPolarHBondContact CD2-O 2.83Å; L285-S311 WeakPolarHBondContact CD1-O 3.02Å; L285-I313 HydrophobicContact CD1-CG2 3.99Å; L285-I313 VanDerWaalsContact CD1-N 3.31Å
286	L	70.9	Confident	75.8	Confident	171 Å²	171	91.1 Å²	91.1	90%	0.895	54%	0.535	S	S	*	.			trans	-92.9	95.2	165.7	-69.3	169	0	0	0	109.5	L284	L284-L286 PolarHBondContact O-N 2.82Å
287	G	71.6	Confident	77.5	Confident	55 Å²	55	82.5 Å²	82.5	57%	0.567	50%	0.495	S	S	*	.	S	Bend	trans	142.3	-177	175.6	0	0	0	0	0	113.6	L285	L285-G287 WeakPolarHBondContact CD2-O 2.83Å
288	S	74.5	Confident	78.7	Confident	101 Å²	101	83.7 Å²	83.7	71%	0.706	49%	0.494	S	S	*	.			trans	-105.6	152.8	172.5	51.1	0	0	0	0	110.9
289	R	80	Confident	79.1	Confident	113 Å²	113	85.1 Å²	85.1	43%	0.426	50%	0.503	S	S	.	.			trans	-63.1	133.2	177.2	-159.5	-172.1	-123.9	-157.1	10.8	110.1	A293 D295 N316	R289-A293 HydrophobicContact CG-CB 3.43Å; R289-A293 VanDerWaalsContact CG-CB 3.43Å; R289-D295 IonicContact CZ-OD1 3.26Å; R289-D295 IonicContact CZ-OD2 3.67Å; R289-D295 IonicContact NH1-OD1 3.44Å; R289-D295 PolarHBondContact NH1-OD1 3.46Å; R289-D295 IonicContact NH1-OD2 3.83Å; R289-D295 PolarHBondContact NH1-OD2 2.73Å; R289-D295 IonicContact NH2-OD1 2.63Å; R289-D295 PolarHBondContact NH2-OD1 3.19Å; R289-D295 IonicContact NH2-OD2 3.4Å; R289-D295 PolarHBondContact NH2-OD2 2.86Å; R289-N316 PolarHBondContact NH2-OD1 2.82Å
290	L	82.1	Confident	79.5	Confident	97 Å²	97	80.9 Å²	80.9	51%	0.508	48%	0.475	S	S	.	.			trans	-66.6	147.6	175.3	-71.4	168.9	0	0	0	110.5	S292 A293 I313	L290-S292 PolarHBondContact O-N 2.87Å; L290-S292 VanDerWaalsContact O-N 3.13Å; L290-A293 WeakPolarHBondContact O-CB 3.39Å; L290-A293 PolarHBondContact O-N 3.12Å; L290-I313 WeakPolarHBondContact CB-O 3.4Å; L290-I313 WeakPolarHBondContact CG-O 3.11Å; L290-I313 PolarHBondContact N-O 2.97Å
291	P	76.8	Confident	79.7	Confident	133 Å²	133	85 Å²	85	86%	0.864	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.1	174.5	-24	33.2	0	0	0	113.7
292	S	81.8	Confident	79.6	Confident	115 Å²	115	87.4 Å²	87.4	80%	0.804	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	12.7	178.3	-51.7	0	0	0	0	113.7	L290	L290-S292 PolarHBondContact O-N 2.87Å; L290-S292 VanDerWaalsContact O-N 3.13Å
293	A	80.2	Confident	79.5	Confident	25 Å²	25	85.4 Å²	85.4	21%	0.207	48%	0.482	C	S	.	.			trans	-65.4	137	179.6	0	0	0	0	0	111.8	R289 L290 A314	R289-A293 HydrophobicContact CG-CB 3.43Å; R289-A293 VanDerWaalsContact CG-CB 3.43Å; L290-A293 WeakPolarHBondContact O-CB 3.39Å; L290-A293 PolarHBondContact O-N 3.12Å; A293-A314 CarbonylContact C-O 3.47Å; A293-A314 VanDerWaalsContact CA-O 3.28Å; A293-A314 WeakPolarHBondContact CA-O 3.43Å; A293-A314 VanDerWaalsContact CB-C 3.46Å
294	S	84.8	Confident	79.6	Confident	69 Å²	69	87.6 Å²	87.6	48%	0.483	50%	0.498	S	S	.	.			trans	-124.6	135.1	178.8	-175.7	0	0	0	0	109.9	A314 G315	S294-A314 PolarHBondContact N-O 3.07Å; S294-G315 WeakPolarHBondContact O-CA 3.38Å
295	D	86.6	Confident	79.9	Confident	55 Å²	55	82.8 Å²	82.8	29%	0.294	49%	0.488	S	S	.	.			trans	-89.1	118.8	-176.9	-65.3	-23.4	0	0	0	110.7	R289 G315 N316	R289-D295 IonicContact CZ-OD1 3.26Å; R289-D295 IonicContact CZ-OD2 3.67Å; R289-D295 IonicContact NH1-OD1 3.44Å; R289-D295 PolarHBondContact NH1-OD1 3.46Å; R289-D295 IonicContact NH1-OD2 3.83Å; R289-D295 PolarHBondContact NH1-OD2 2.73Å; R289-D295 IonicContact NH2-OD1 2.63Å; R289-D295 PolarHBondContact NH2-OD1 3.19Å; R289-D295 IonicContact NH2-OD2 3.4Å; R289-D295 PolarHBondContact NH2-OD2 2.86Å; D295-G315 WeakPolarHBondContact OD1-CA 3.26Å; D295-N316 HydrophobicContact CB-CB 4.07Å; D295-N316 PolarHBondContact OD1-N 2.75Å
296	H	85.8	Confident	80.1	Confident	151 Å²	151	86 Å²	86	70%	0.699	50%	0.501	S	S	*	.	S	Bend	trans	-95.7	-8.3	178.3	-67	-73.3	0	0	0	113.1	N316	H296-N316 WeakPolarHBondContact CB-O 3.19Å; H296-N316 PolarHBondContact N-O 2.74Å
297	C	83.8	Confident	80.8	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.007	48%	0.479	C	S	.	.			trans	-151.3	159	170.2	61.3	0	0	0	0	109.2	E302 C309 N316	C297-E302 WeakPolarHBondContact CA-OE2 3.32Å; C297-E302 HydrophobicContact CB-CB 4.28Å; C297-C309 HydrophobicContact CB-CB 3.77Å; C297-C309 WeakPolarHBondContact CB-SG 3.04Å; C297-C309 PolarHBondContact O-SG 3.01Å; C297-C309 WeakPolarHBondContact SG-CA 3.28Å; C297-C309 WeakPolarHBondContact SG-CB 3.42Å; C297-C309 CovalentContact SG-SG 2.03Å; C297-C309 PolarHBondContact SG-SG 3.07Å; C297-N316 WeakPolarHBondContact O-CB 3.39Å; C297-N316 PolarHBondContact O-ND2 2.99Å
298	Q	81.2	Confident	81.4	Confident	116 Å²	116	81.3 Å²	81.3	54%	0.542	46%	0.455	S	S	.	.	S	Bend	trans	-119.1	-26.8	172.2	-62.5	-64.2	-46.5	0	0	111.3	E302	Q298-E302 PolarHBondContact N-OE2 3.19Å
299	L	76.4	Confident	81.9	Confident	70 Å²	70	77.4 Å²	77.4	37%	0.366	43%	0.427	S	S	.	.	S	Bend	trans	-138.7	152.3	-173.7	-56.5	169.8	0	0	0	110.7	N301 E302 C309	L299-N301 WeakPolarHBondContact CB-OD1 3.28Å; L299-N301 PolarHBondContact O-N 2.04Å; L299-E302 WeakPolarHBondContact O-CB 3.33Å; L299-E302 PolarHBondContact O-N 2.8Å; L299-E302 VanDerWaalsContact O-N 3.11Å; L299-C309 WeakPolarHBondContact O-CB 3.05Å
300	D	79.9	Confident	82.3	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.048	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-59	-30.1	-180	-74.7	-3.3	0	0	0	113.1	T277 K278 E302 C303 K308 C309	T277-D300 WeakPolarHBondContact CA-OD2 3.25Å; K278-D300 HydrophobicContact CB-CB 4.49Å; K278-D300 HydrophobicContact CD-CB 4.2Å; K278-D300 WeakPolarHBondContact CE-O 3.46Å; K278-D300 HydrophobicContact CG-CB 4.12Å; K278-D300 PolarHBondContact N-OD2 2.03Å; K278-D300 PolarHBondContact NZ-O 3.47Å; D300-E302 VanDerWaalsContact C-N 3.25Å; D300-E302 PolarHBondContact O-N 2.91Å; D300-C303 WeakPolarHBondContact O-CB 3.39Å; D300-C303 PolarHBondContact O-N 2.77Å; D300-C303 VanDerWaalsContact O-N 3.16Å; D300-K308 WeakPolarHBondContact OD1-CA 3.4Å; D300-K308 WeakPolarHBondContact OD1-CB 3.03Å; D300-K308 WeakPolarHBondContact OD2-CG 3.33Å; D300-K308 IonicContact OD2-NZ 3.46Å; D300-K308 PolarHBondContact OD2-NZ 3.39Å; D300-C309 PolarHBondContact OD1-N 2.04Å
301	N	76.5	Confident	82.5	Confident	115 Å²	115	70.9 Å²	70.9	62%	0.615	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-71.7	-14.9	-180	66.5	-8.5	0	0	0	113.8	L299 C303	L299-N301 WeakPolarHBondContact CB-OD1 3.28Å; L299-N301 PolarHBondContact O-N 2.04Å; N301-C303 VanDerWaalsContact C-N 3.28Å
302	E	81.6	Confident	82.8	Confident	108 Å²	108	65.3 Å²	65.3	51%	0.505	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-79.9	-14.9	172.4	-62.8	179.9	160.1	0	0	112.1	C297 Q298 L299 D300	C297-E302 WeakPolarHBondContact CA-OE2 3.32Å; C297-E302 HydrophobicContact CB-CB 4.28Å; Q298-E302 PolarHBondContact N-OE2 3.19Å; L299-E302 WeakPolarHBondContact O-CB 3.33Å; L299-E302 PolarHBondContact O-N 2.8Å; L299-E302 VanDerWaalsContact O-N 3.11Å; D300-E302 VanDerWaalsContact C-N 3.25Å; D300-E302 PolarHBondContact O-N 2.91Å
303	C	82	Confident	83	Confident	7 Å²	7	63.9 Å²	63.9	5%	0.047	35%	0.353	C	S	.	.	S	Bend	trans	-88.8	140.5	176.4	-62.2	0	0	0	0	110.8	K278 D300 N301 R307 C318	K278-C303 PolarHBondContact NZ-O 2.94Å; D300-C303 WeakPolarHBondContact O-CB 3.39Å; D300-C303 PolarHBondContact O-N 2.77Å; D300-C303 VanDerWaalsContact O-N 3.16Å; N301-C303 VanDerWaalsContact C-N 3.28Å; C303-R307 HydrophobicContact CB-CB 3.95Å; C303-R307 WeakPolarHBondContact CB-O 3.45Å; C303-C318 WeakPolarHBondContact CA-SG 3.4Å; C303-C318 HydrophobicContact CB-CB 3.58Å; C303-C318 WeakPolarHBondContact CB-SG 2.98Å; C303-C318 WeakPolarHBondContact SG-CA 3.39Å; C303-C318 WeakPolarHBondContact SG-CB 3.1Å; C303-C318 CovalentContact SG-SG 2.03Å; C303-C318 PolarHBondContact SG-SG 2.74Å
304	S	84.9	Confident	83.3	Confident	92 Å²	92	65 Å²	65	64%	0.643	36%	0.362	S	S	*	.	S	Bend	trans	-81.3	142.5	177	-50.1	0	0	0	0	112.4	R307	S304-R307 PolarHBondContact O-NH1 3.23Å; S304-R307 VanDerWaalsContact O-NH1 3.15Å
305	G	81.4	Confident	83.3	Confident	61 Å²	61	61.8 Å²	61.8	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-143	178.6	0	0	0	0	0	112.4	K278 R307	K278-G305 WeakPolarHBondContact CD-O 2.99Å; K278-G305 WeakPolarHBondContact CE-O 3.38Å; K278-G305 PolarHBondContact NZ-O 2.04Å; G305-R307 PolarHBondContact O-N 3.2Å
306	E	79.2	Confident	83.4	Confident	143 Å²	143	60 Å²	60	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.2	-178.9	-62.7	173.7	176.5	0	0	113.8	P321	E306-P321 WeakPolarHBondContact O-CD 3.39Å
307	R	84.9	Confident	83.6	Confident	112 Å²	112	56.2 Å²	56.2	42%	0.423	31%	0.314	S	S	.	.			trans	-68.7	135.6	-176.2	-63.7	-175.6	-171.2	90.8	-2.4	112.5	K278 C303 S304 G305 C318 L319 I320	K278-R307 WeakPolarHBondContact CD-O 3.01Å; K278-R307 PolarHBondContact NZ-O 2.87Å; C303-R307 HydrophobicContact CB-CB 3.95Å; C303-R307 WeakPolarHBondContact CB-O 3.45Å; S304-R307 PolarHBondContact O-NH1 3.23Å; S304-R307 VanDerWaalsContact O-NH1 3.15Å; G305-R307 PolarHBondContact O-N 3.2Å; R307-C318 HydrophobicContact CB-CB 4.21Å; R307-L319 CarbonylContact C-O 3.57Å; R307-L319 WeakPolarHBondContact CA-O 3.03Å; R307-L319 WeakPolarHBondContact CB-O 3.42Å; R307-I320 HydrophobicContact CG-CG1 4.24Å
308	K	85.4	Confident	83.8	Confident	15 Å²	15	58.3 Å²	58.3	7%	0.065	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	152.3	174.5	-64.7	176.6	71.4	66.1	0	111.3	K278 G280 D300 C310 C318 L319 P321	K278-K308 HydrophobicContact CB-CG 3.98Å; K278-K308 PolarHBondContact O-NZ 3.06Å; G280-K308 VanDerWaalsContact O-CD 3.25Å; G280-K308 WeakPolarHBondContact O-CD 3.38Å; G280-K308 WeakPolarHBondContact O-CE 3.33Å; G280-K308 PolarHBondContact O-NZ 3.08Å; D300-K308 WeakPolarHBondContact OD1-CA 3.4Å; D300-K308 WeakPolarHBondContact OD1-CB 3.03Å; D300-K308 WeakPolarHBondContact OD2-CG 3.33Å; D300-K308 IonicContact OD2-NZ 3.46Å; D300-K308 PolarHBondContact OD2-NZ 3.39Å; K308-C310 PolarHBondContact O-N 2.79Å; K308-C318 CarbonylContact O-C 3.48Å; K308-C318 VanDerWaalsContact O-CA 3.31Å; K308-C318 WeakPolarHBondContact O-CA 3.29Å; K308-L319 PolarHBondContact N-O 3.32Å; K308-L319 PolarHBondContact O-N 3.33Å; K308-P321 HydrophobicContact CD-CB 3.63Å; K308-P321 HydrophobicContact CD-CG 3.99Å; K308-P321 HydrophobicContact CG-CB 4.24Å; K308-P321 HydrophobicContact CG-CG 4.1Å
309	C	85.3	Confident	84.2	Confident	19 Å²	19	54.9 Å²	54.9	13%	0.128	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	104	171.9	-175.5	0	0	0	0	109.7	C297 L299 D300	C297-C309 HydrophobicContact CB-CB 3.77Å; C297-C309 WeakPolarHBondContact CB-SG 3.04Å; C297-C309 PolarHBondContact O-SG 3.01Å; C297-C309 WeakPolarHBondContact SG-CA 3.28Å; C297-C309 WeakPolarHBondContact SG-CB 3.42Å; C297-C309 CovalentContact SG-SG 2.03Å; C297-C309 PolarHBondContact SG-SG 3.07Å; L299-C309 WeakPolarHBondContact O-CB 3.05Å; D300-C309 PolarHBondContact OD1-N 2.04Å
310	C	86.9	Confident	84.7	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.5	-170.6	-62.3	0	0	0	0	111.4	C282 K308 N316 M317 L319	C282-C310 WeakPolarHBondContact CA-SG 3.18Å; C282-C310 HydrophobicContact CB-CB 3.63Å; C282-C310 WeakPolarHBondContact CB-SG 2.99Å; C282-C310 WeakPolarHBondContact SG-CA 3.32Å; C282-C310 WeakPolarHBondContact SG-CB 3.29Å; C282-C310 CovalentContact SG-SG 2.03Å; C282-C310 PolarHBondContact SG-SG 3.27Å; K308-C310 PolarHBondContact O-N 2.79Å; C310-N316 WeakPolarHBondContact O-CA 3.45Å; C310-M317 PolarHBondContact N-O 3.19Å; C310-M317 PolarHBondContact O-N 3.15Å; C310-L319 HydrophobicContact CB-CB 4.04Å; C310-L319 HydrophobicContact CB-CD1 3.77Å; C310-L319 HydrophobicContact CB-CG 4.03Å
311	S	86.3	Confident	84.9	Confident	71 Å²	71	57 Å²	57	50%	0.497	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.6	176	-61.4	0	0	0	0	111.6	L285 N316	L285-S311 WeakPolarHBondContact CD1-O 3.02Å; S311-N316 PolarHBondContact OG-OD1 3.34Å; S311-N316 VanDerWaalsContact OG-OD1 3.06Å
312	T	84.2	Confident	85	Confident	17 Å²	17	55.3 Å²	55.3	10%	0.104	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	171.7	175.8	74.9	0	0	0	0	111.3	A314 G315 M317 L319	T312-A314 PolarHBondContact O-N 3.26Å; T312-A314 VanDerWaalsContact O-N 3.15Å; T312-A314 PolarHBondContact OG1-N 2.87Å; T312-G315 WeakPolarHBondContact CA-O 3.31Å; T312-G315 WeakPolarHBondContact CB-O 2.96Å; T312-G315 PolarHBondContact N-O 3.18Å; T312-G315 PolarHBondContact O-N 3.48Å; T312-G315 VanDerWaalsContact O-N 3.1Å; T312-G315 PolarHBondContact OG1-O 3.46Å; T312-M317 VanDerWaalsContact CB-CE 3.44Å; T312-M317 HydrophobicContact CG2-CE 3.44Å; T312-M317 VanDerWaalsContact CG2-CE 3.44Å; T312-M317 HydrophobicContact CG2-CG 3.23Å; T312-M317 HydrophobicContact CG2-SD 3.64Å; T312-M317 WeakPolarHBondContact OG1-CE 3.44Å; T312-L319 HydrophobicContact CG2-CD1 3.78Å
313	I	86.4	Confident	84.3	Confident	84 Å²	84	54.2 Å²	54.2	43%	0.431	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.5	177	58.7	170.2	0	0	0	112.3	L285 L290	L285-I313 HydrophobicContact CD1-CG2 3.99Å; L285-I313 VanDerWaalsContact CD1-N 3.31Å; L290-I313 WeakPolarHBondContact CB-O 3.4Å; L290-I313 WeakPolarHBondContact CG-O 3.11Å; L290-I313 PolarHBondContact N-O 2.97Å
314	A	85.6	Confident	83	Confident	49 Å²	49	59 Å²	59	41%	0.405	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.1	-179.8	0	0	0	0	0	113.9	A293 S294 T312	A293-A314 CarbonylContact C-O 3.47Å; A293-A314 VanDerWaalsContact CA-O 3.28Å; A293-A314 WeakPolarHBondContact CA-O 3.43Å; A293-A314 VanDerWaalsContact CB-C 3.46Å; S294-A314 PolarHBondContact N-O 3.07Å; T312-A314 PolarHBondContact O-N 3.26Å; T312-A314 VanDerWaalsContact O-N 3.15Å; T312-A314 PolarHBondContact OG1-N 2.87Å
315	G	85.8	Confident	81.2	Confident	1 Å²	1	59 Å²	59	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-173.4	-173.9	0	0	0	0	0	112	S294 D295 T312	S294-G315 WeakPolarHBondContact O-CA 3.38Å; D295-G315 WeakPolarHBondContact OD1-CA 3.26Å; T312-G315 WeakPolarHBondContact CA-O 3.31Å; T312-G315 WeakPolarHBondContact CB-O 2.96Å; T312-G315 PolarHBondContact N-O 3.18Å; T312-G315 PolarHBondContact O-N 3.48Å; T312-G315 VanDerWaalsContact O-N 3.1Å; T312-G315 PolarHBondContact OG1-O 3.46Å
316	N	87.9	Confident	79.3	Confident	19 Å²	19	59.2 Å²	59.2	10%	0.102	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.4	176.4	-65.9	-15.8	0	0	0	110.6	R289 D295 H296 C297 C310 S311	R289-N316 PolarHBondContact NH2-OD1 2.82Å; D295-N316 HydrophobicContact CB-CB 4.07Å; D295-N316 PolarHBondContact OD1-N 2.75Å; H296-N316 WeakPolarHBondContact CB-O 3.19Å; H296-N316 PolarHBondContact N-O 2.74Å; C297-N316 WeakPolarHBondContact O-CB 3.39Å; C297-N316 PolarHBondContact O-ND2 2.99Å; C310-N316 WeakPolarHBondContact O-CA 3.45Å; S311-N316 PolarHBondContact OG-OD1 3.34Å; S311-N316 VanDerWaalsContact OG-OD1 3.06Å
317	M	89	Confident	77.7	Confident	70 Å²	70	58.7 Å²	58.7	35%	0.345	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.3	177.8	55.6	157.2	107.9	0	0	111.7	C310 T312 L319	C310-M317 PolarHBondContact N-O 3.19Å; C310-M317 PolarHBondContact O-N 3.15Å; T312-M317 VanDerWaalsContact CB-CE 3.44Å; T312-M317 HydrophobicContact CG2-CE 3.44Å; T312-M317 VanDerWaalsContact CG2-CE 3.44Å; T312-M317 HydrophobicContact CG2-CG 3.23Å; T312-M317 HydrophobicContact CG2-SD 3.64Å; T312-M317 WeakPolarHBondContact OG1-CE 3.44Å; M317-L319 HydrophobicContact CG-CD1 4.44Å; M317-L319 HydrophobicContact CG-CD2 4.08Å; M317-L319 HydrophobicContact CG-CG 4.04Å; M317-L319 PolarHBondContact O-N 2.72Å; M317-L319 HydrophobicContact SD-CD1 4.45Å; M317-L319 HydrophobicContact SD-CD2 3.48Å; M317-L319 WeakPolarHBondContact SD-CD2 3.31Å; M317-L319 HydrophobicContact SD-CG 4.08Å
318	C	89.9	Confident	76	Confident	46 Å²	46	60.3 Å²	60.3	31%	0.311	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	104.4	179.5	-64.8	0	0	0	0	111.7	C303 R307 K308	C303-C318 WeakPolarHBondContact CA-SG 3.4Å; C303-C318 HydrophobicContact CB-CB 3.58Å; C303-C318 WeakPolarHBondContact CB-SG 2.98Å; C303-C318 WeakPolarHBondContact SG-CA 3.39Å; C303-C318 WeakPolarHBondContact SG-CB 3.1Å; C303-C318 CovalentContact SG-SG 2.03Å; C303-C318 PolarHBondContact SG-SG 2.74Å; R307-C318 HydrophobicContact CB-CB 4.21Å; K308-C318 CarbonylContact O-C 3.48Å; K308-C318 VanDerWaalsContact O-CA 3.31Å; K308-C318 WeakPolarHBondContact O-CA 3.29Å
319	L	88.7	Confident	74.2	Confident	44 Å²	44	62.2 Å²	62.2	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	156.4	-179.1	-64.2	-176.1	0	0	0	111.9	P283 R307 K308 C310 T312 M317	P283-L319 HydrophobicContact CG-CD1 4.13Å; R307-L319 CarbonylContact C-O 3.57Å; R307-L319 WeakPolarHBondContact CA-O 3.03Å; R307-L319 WeakPolarHBondContact CB-O 3.42Å; K308-L319 PolarHBondContact N-O 3.32Å; K308-L319 PolarHBondContact O-N 3.33Å; C310-L319 HydrophobicContact CB-CB 4.04Å; C310-L319 HydrophobicContact CB-CD1 3.77Å; C310-L319 HydrophobicContact CB-CG 4.03Å; T312-L319 HydrophobicContact CG2-CD1 3.78Å; M317-L319 HydrophobicContact CG-CD1 4.44Å; M317-L319 HydrophobicContact CG-CD2 4.08Å; M317-L319 HydrophobicContact CG-CG 4.04Å; M317-L319 PolarHBondContact O-N 2.72Å; M317-L319 HydrophobicContact SD-CD1 4.45Å; M317-L319 HydrophobicContact SD-CD2 3.48Å; M317-L319 WeakPolarHBondContact SD-CD2 3.31Å; M317-L319 HydrophobicContact SD-CG 4.08Å
320	I	86.7	Confident	72.2	Confident	118 Å²	118	70.4 Å²	70.4	61%	0.605	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-74.6	130	170.4	-60.3	174.4	0	0	0	107.7	R307	R307-I320 HydrophobicContact CG-CG1 4.24Å
321	P	83.3	Confident	70.5	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.032	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.6	152.1	176.9	14.4	-19.3	0	0	0	114.1	P279 S281 E306 K308 F323	P279-P321 WeakPolarHBondContact O-CG 3.39Å; S281-P321 CarbonylContact O-C 3.54Å; S281-P321 WeakPolarHBondContact O-CA 3.39Å; E306-P321 WeakPolarHBondContact O-CD 3.39Å; K308-P321 HydrophobicContact CD-CB 3.63Å; K308-P321 HydrophobicContact CD-CG 3.99Å; K308-P321 HydrophobicContact CG-CB 4.24Å; K308-P321 HydrophobicContact CG-CG 4.1Å; P321-F323 HydrophobicContact CB-CE2 4.33Å; P321-F323 HydrophobicContact CB-CZ 4.43Å; P321-F323 HydrophobicContact CG-CE1 4.5Å; P321-F323 HydrophobicContact CG-CE2 3.83Å; P321-F323 HydrophobicContact CG-CZ 3.74Å; P321-F323 WeakPolarHBondContact O-CD2 3.12Å
322	D	79.8	Confident	68.8	Low	80 Å²	80	76 Å²	76	43%	0.428	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-82.1	124.5	162.4	-68.4	-35.7	0	0	0	109.6	S281	S281-D322 PolarHBondContact N-O 3.24Å; S281-D322 PolarHBondContact O-N 3.04Å
323	F	66.8	Low	67.4	Low	84 Å²	84	82.8 Å²	82.8	37%	0.368	44%	0.439	S	S	.	.			trans	-95	9.3	-179.2	-69.4	-85.6	0	0	0	113.7	P279 P321 S325	P279-F323 HydrophobicContact CB-CE1 3.99Å; P321-F323 HydrophobicContact CB-CE2 4.33Å; P321-F323 HydrophobicContact CB-CZ 4.43Å; P321-F323 HydrophobicContact CG-CE1 4.5Å; P321-F323 HydrophobicContact CG-CE2 3.83Å; P321-F323 HydrophobicContact CG-CZ 3.74Å; P321-F323 WeakPolarHBondContact O-CD2 3.12Å; F323-S325 VanDerWaalsContact C-N 3.26Å; F323-S325 PolarHBondContact O-N 3.17Å
324	S	53.7	Low	66.1	Low	109 Å²	109	82.4 Å²	82.4	76%	0.762	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	29.6	-166.4	60.1	0	0	0	0	115.9
325	S	47.1	Very low	65.1	Low	91 Å²	91	85.8 Å²	85.8	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.4	14.3	179.2	73	0	0	0	0	117	F323	F323-S325 VanDerWaalsContact C-N 3.26Å; F323-S325 PolarHBondContact O-N 3.17Å
326	T	43.1	Very low	64.3	Low	66 Å²	66	90.1 Å²	90.1	41%	0.405	47%	0.473	S	S	.	.			trans	-106.1	130	166.6	55.6	0	0	0	0	109.3	E328 V329	T326-E328 PolarHBondContact O-N 2.81Å; T326-V329 PolarHBondContact O-N 2.99Å
327	N	45.1	Very low	63.6	Low	132 Å²	132	93.9 Å²	93.9	71%	0.706	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-6.8	179.6	-74.5	-22.3	0	0	0	114.1
328	E	48.8	Very low	62.8	Low	145 Å²	145	96.2 Å²	96.2	68%	0.678	51%	0.507	S	S	*	.	H	α-helix	trans	-71.3	-26.3	178	-67.2	175.6	151	0	0	113.5	T326 A332	T326-E328 PolarHBondContact O-N 2.81Å; E328-A332 PolarHBondContact O-N 2.89Å
329	V	48.1	Very low	62.1	Low	55 Å²	55	101.1 Å²	101.1	33%	0.333	52%	0.52	S	S	.	.	H	α-helix	trans	-74.6	-38.3	178.2	-179.6	0	0	0	0	110.4	T326 E331 A332 W333	T326-V329 PolarHBondContact O-N 2.99Å; V329-E331 VanDerWaalsContact C-N 3.34Å; V329-E331 PolarHBondContact O-N 3.31Å; V329-A332 PolarHBondContact O-N 2.75Å; V329-W333 PolarHBondContact O-N 3.39Å; V329-W333 VanDerWaalsContact O-N 3.09Å
330	W	44.1	Very low	61.6	Low	191 Å²	191	102.8 Å²	102.8	72%	0.723	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-39.4	178.5	-65.9	88.8	0	0	0	111.9	T334	W330-T334 WeakPolarHBondContact O-CG2 3.44Å; W330-T334 PolarHBondContact O-N 2.8Å; W330-T334 PolarHBondContact O-OG1 2.59Å
331	E	49.4	Very low	61.1	Low	130 Å²	130	100.4 Å²	100.4	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-39.4	176.8	-70.5	-177.3	179	0	0	112.2	V329 T334 I335	V329-E331 VanDerWaalsContact C-N 3.34Å; V329-E331 PolarHBondContact O-N 3.31Å; E331-T334 WeakPolarHBondContact CA-OG1 3.2Å; E331-T334 PolarHBondContact O-OG1 2.82Å; E331-I335 WeakPolarHBondContact O-CD1 3.42Å; E331-I335 VanDerWaalsContact O-CG1 3.24Å; E331-I335 WeakPolarHBondContact O-CG1 3.39Å; E331-I335 PolarHBondContact O-N 3.27Å; E331-I335 VanDerWaalsContact O-N 3.14Å
332	A	52	Low	60.8	Low	59 Å²	59	106.3 Å²	106.3	49%	0.488	54%	0.544	S	S	.	.	H	α-helix	trans	-70.6	-39.4	179.2	0	0	0	0	0	113.4	E328 V329 I335 L336	E328-A332 PolarHBondContact O-N 2.89Å; V329-A332 PolarHBondContact O-N 2.75Å; A332-I335 PolarHBondContact O-N 3.32Å; A332-L336 PolarHBondContact O-N 3.46Å
333	W	53.9	Low	60.6	Low	160 Å²	160	106 Å²	106	61%	0.606	54%	0.541	S	S	*	.	H	α-helix	trans	-70.3	-37.2	175.3	-72.7	100.9	0	0	0	111.9	V329 I335 L336 D337	V329-W333 PolarHBondContact O-N 3.39Å; V329-W333 VanDerWaalsContact O-N 3.09Å; W333-I335 VanDerWaalsContact C-N 3.32Å; W333-I335 PolarHBondContact O-N 3.03Å; W333-L336 PolarHBondContact O-N 2.98Å; W333-D337 PolarHBondContact O-N 2.83Å
334	T	59.9	Low	61.2	Low	77 Å²	77	106.9 Å²	106.9	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-38.5	174.6	43.7	0	0	0	0	112.6	W330 E331 L336 D338	W330-T334 WeakPolarHBondContact O-CG2 3.44Å; W330-T334 PolarHBondContact O-N 2.8Å; W330-T334 PolarHBondContact O-OG1 2.59Å; E331-T334 WeakPolarHBondContact CA-OG1 3.2Å; E331-T334 PolarHBondContact O-OG1 2.82Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-D338 WeakPolarHBondContact O-CB 3.16Å; T334-D338 PolarHBondContact O-N 2.76Å
335	I	64.4	Low	62.4	Low	120 Å²	120	107.7 Å²	107.7	62%	0.615	54%	0.537	S	S	*	.	H	α-helix	trans	-67.5	-37	176.9	-67.5	165.2	0	0	0	111.1	E331 A332 W333 Y339	E331-I335 WeakPolarHBondContact O-CD1 3.42Å; E331-I335 VanDerWaalsContact O-CG1 3.24Å; E331-I335 WeakPolarHBondContact O-CG1 3.39Å; E331-I335 PolarHBondContact O-N 3.27Å; E331-I335 VanDerWaalsContact O-N 3.14Å; A332-I335 PolarHBondContact O-N 3.32Å; W333-I335 VanDerWaalsContact C-N 3.32Å; W333-I335 PolarHBondContact O-N 3.03Å; I335-Y339 WeakPolarHBondContact O-CB 3.34Å; I335-Y339 PolarHBondContact O-N 3.49Å; I335-Y339 VanDerWaalsContact O-N 3.15Å
336	L	69.6	Low	63.8	Low	92 Å²	92	107.8 Å²	107.8	48%	0.482	53%	0.534	S	S	.	.	H	α-helix	trans	-71.9	-41	179.1	-154.5	81.4	0	0	0	112	A332 W333 T334 Y339 I340	A332-L336 PolarHBondContact O-N 3.46Å; W333-L336 PolarHBondContact O-N 2.98Å; T334-L336 VanDerWaalsContact C-N 3.34Å; L336-Y339 PolarHBondContact O-N 2.96Å; L336-I340 HydrophobicContact CG-CD1 4.47Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.42Å
337	D	72.3	Confident	65.4	Low	98 Å²	98	110 Å²	110	52%	0.524	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-41.6	177.5	-77.3	-17	0	0	0	111.4	W333 Y339 I340 D341	W333-D337 PolarHBondContact O-N 2.83Å; D337-Y339 VanDerWaalsContact C-N 3.31Å; D337-Y339 PolarHBondContact O-N 2.75Å; D337-I340 PolarHBondContact O-N 3.34Å; D337-D341 WeakPolarHBondContact O-CB 3.41Å; D337-D341 PolarHBondContact O-N 2.95Å
338	D	73	Confident	67	Low	119 Å²	119	110.8 Å²	110.8	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-61.7	-39.5	174.3	-84.3	-11.8	0	0	0	111.6	T334 D341 E342	T334-D338 WeakPolarHBondContact O-CB 3.16Å; T334-D338 PolarHBondContact O-N 2.76Å; D338-D341 PolarHBondContact O-N 3.48Å; D338-E342 PolarHBondContact O-N 3.33Å; D338-E342 VanDerWaalsContact O-N 3.09Å
339	Y	73.8	Confident	68.2	Low	148 Å²	148	108 Å²	108	58%	0.58	55%	0.545	S	S	*	.	H	α-helix	trans	-69.6	-36.8	178.4	-165.9	-107.6	0	0	0	112.8	I335 L336 D337 I343	I335-Y339 WeakPolarHBondContact O-CB 3.34Å; I335-Y339 PolarHBondContact O-N 3.49Å; I335-Y339 VanDerWaalsContact O-N 3.15Å; L336-Y339 PolarHBondContact O-N 2.96Å; D337-Y339 VanDerWaalsContact C-N 3.31Å; D337-Y339 PolarHBondContact O-N 2.75Å; Y339-I343 HydrophobicContact CD1-CD1 3.73Å; Y339-I343 HydrophobicContact CE1-CD1 3.45Å; Y339-I343 VanDerWaalsContact CE1-CD1 3.45Å; Y339-I343 HydrophobicContact CE1-CG1 4.39Å; Y339-I343 WeakPolarHBondContact O-CG1 3.28Å; Y339-I343 PolarHBondContact O-N 3.39Å; Y339-I343 VanDerWaalsContact O-N 3.15Å
340	I	78.4	Confident	68.9	Low	79 Å²	79	113.6 Å²	113.6	41%	0.405	58%	0.579	S	S	.	*	H	α-helix	trans	-68.1	-43	175.5	-69.4	172.5	0	0	0	110.5	L336 D337 E342 I343 E344	L336-I340 HydrophobicContact CG-CD1 4.47Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.42Å; D337-I340 PolarHBondContact O-N 3.34Å; I340-E342 VanDerWaalsContact C-N 3.3Å; I340-E342 PolarHBondContact O-N 2.93Å; I340-I343 PolarHBondContact O-N 3.36Å; I340-E344 HydrophobicContact CG2-CG 4.43Å; I340-E344 WeakPolarHBondContact O-CG 3.48Å; I340-E344 PolarHBondContact O-N 3.42Å
341	D	75.7	Confident	70.1	Confident	69 Å²	69	109.8 Å²	109.8	37%	0.369	57%	0.572	S	S	.	*	H	α-helix	trans	-65.1	-33.5	179.1	-163.8	47.6	0	0	0	112	D337 D338 K345	D337-D341 WeakPolarHBondContact O-CB 3.41Å; D337-D341 PolarHBondContact O-N 2.95Å; D338-D341 PolarHBondContact O-N 3.48Å; D341-K345 WeakPolarHBondContact O-CB 3.47Å; D341-K345 VanDerWaalsContact O-CG 3.31Å; D341-K345 WeakPolarHBondContact O-CG 3.43Å; D341-K345 PolarHBondContact O-N 3.39Å; D341-K345 WeakPolarHBondContact OD2-CE 3.29Å; D341-K345 IonicContact OD2-NZ 2.66Å; D341-K345 PolarHBondContact OD2-NZ 3.5Å
342	E	77.1	Confident	71.2	Confident	129 Å²	129	108.7 Å²	108.7	60%	0.603	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-37.8	174.1	-147.8	177	-158.5	0	0	112.6	D338 I340 T346	D338-E342 PolarHBondContact O-N 3.33Å; D338-E342 VanDerWaalsContact O-N 3.09Å; I340-E342 VanDerWaalsContact C-N 3.3Å; I340-E342 PolarHBondContact O-N 2.93Å; E342-T346 WeakPolarHBondContact O-CB 3.25Å; E342-T346 PolarHBondContact O-N 2.93Å; E342-T346 PolarHBondContact O-OG1 2.88Å
343	I	75.9	Confident	72.2	Confident	72 Å²	72	111.4 Å²	111.4	37%	0.369	58%	0.575	S	S	.	*	H	α-helix	trans	-66.3	-45.4	173	-70.4	171.5	0	0	0	110.9	Y339 I340 K345 T346 I347	Y339-I343 HydrophobicContact CD1-CD1 3.73Å; Y339-I343 HydrophobicContact CE1-CD1 3.45Å; Y339-I343 VanDerWaalsContact CE1-CD1 3.45Å; Y339-I343 HydrophobicContact CE1-CG1 4.39Å; Y339-I343 WeakPolarHBondContact O-CG1 3.28Å; Y339-I343 PolarHBondContact O-N 3.39Å; Y339-I343 VanDerWaalsContact O-N 3.15Å; I340-I343 PolarHBondContact O-N 3.36Å; I343-K345 PolarHBondContact O-N 3.36Å; I343-T346 PolarHBondContact O-N 3.28Å; I343-I347 HydrophobicContact CG2-CD1 3.64Å; I343-I347 HydrophobicContact CG2-CG1 4.31Å; I343-I347 WeakPolarHBondContact O-CG1 3.31Å; I343-I347 PolarHBondContact O-N 3.14Å
344	E	79.2	Confident	73.3	Confident	104 Å²	104	108.6 Å²	108.6	49%	0.486	57%	0.573	S	S	.	*	H	α-helix	trans	-63	-40.3	179	-72.8	-169.5	167.4	0	0	112.1	I340 T346 I347 M348	I340-E344 HydrophobicContact CG2-CG 4.43Å; I340-E344 WeakPolarHBondContact O-CG 3.48Å; I340-E344 PolarHBondContact O-N 3.42Å; E344-T346 VanDerWaalsContact C-N 3.34Å; E344-T346 PolarHBondContact O-N 3.06Å; E344-I347 PolarHBondContact O-N 2.88Å; E344-M348 HydrophobicContact CB-CE 4.4Å; E344-M348 WeakPolarHBondContact O-CG 3.43Å; E344-M348 PolarHBondContact O-N 2.76Å
345	K	79.1	Confident	74.2	Confident	126 Å²	126	110.6 Å²	110.6	55%	0.548	58%	0.579	S	S	.	*	H	α-helix	trans	-63.7	-37.6	173.1	-76.4	168.4	-178.4	154.5	0	112.8	D341 I343 A349	D341-K345 WeakPolarHBondContact O-CB 3.47Å; D341-K345 VanDerWaalsContact O-CG 3.31Å; D341-K345 WeakPolarHBondContact O-CG 3.43Å; D341-K345 PolarHBondContact O-N 3.39Å; D341-K345 WeakPolarHBondContact OD2-CE 3.29Å; D341-K345 IonicContact OD2-NZ 2.66Å; D341-K345 PolarHBondContact OD2-NZ 3.5Å; I343-K345 PolarHBondContact O-N 3.36Å; K345-A349 WeakPolarHBondContact O-CB 3.12Å; K345-A349 PolarHBondContact O-N 2.99Å
346	T	77.6	Confident	74.8	Confident	93 Å²	93	109.9 Å²	109.9	57%	0.571	58%	0.577	S	S	*	*	H	α-helix	trans	-69.7	-39.7	177.8	-55.4	0	0	0	0	111.5	E342 I343 E344 A349	E342-T346 WeakPolarHBondContact O-CB 3.25Å; E342-T346 PolarHBondContact O-N 2.93Å; E342-T346 PolarHBondContact O-OG1 2.88Å; I343-T346 PolarHBondContact O-N 3.28Å; E344-T346 VanDerWaalsContact C-N 3.34Å; E344-T346 PolarHBondContact O-N 3.06Å; T346-A349 PolarHBondContact O-N 3.41Å
347	I	77.1	Confident	75.2	Confident	111 Å²	111	111.2 Å²	111.2	57%	0.569	58%	0.584	S	S	*	*	H	α-helix	trans	-68.2	-36.6	177	-67.6	169.6	0	0	0	111.5	I343 E344 A349 T350	I343-I347 HydrophobicContact CG2-CD1 3.64Å; I343-I347 HydrophobicContact CG2-CG1 4.31Å; I343-I347 WeakPolarHBondContact O-CG1 3.31Å; I343-I347 PolarHBondContact O-N 3.14Å; E344-I347 PolarHBondContact O-N 2.88Å; I347-A349 VanDerWaalsContact C-N 3.32Å; I347-A349 PolarHBondContact O-N 3.34Å; I347-T350 PolarHBondContact O-OG1 3.35Å; I347-T350 VanDerWaalsContact O-OG1 3.06Å
348	M	77.2	Confident	75.4	Confident	149 Å²	149	112.2 Å²	112.2	73%	0.734	59%	0.589	S	S	*	*	H	α-helix	trans	-77.6	-13	178.4	-72.5	-163.8	-93.9	0	0	114.3	E344	E344-M348 HydrophobicContact CB-CE 4.4Å; E344-M348 WeakPolarHBondContact O-CG 3.43Å; E344-M348 PolarHBondContact O-N 2.76Å
349	A	74.2	Confident	75.6	Confident	87 Å²	87	111.7 Å²	111.7	72%	0.719	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-2	179.4	0	0	0	0	0	114.4	K345 T346 I347	K345-A349 WeakPolarHBondContact O-CB 3.12Å; K345-A349 PolarHBondContact O-N 2.99Å; T346-A349 PolarHBondContact O-N 3.41Å; I347-A349 VanDerWaalsContact C-N 3.32Å; I347-A349 PolarHBondContact O-N 3.34Å
350	T	62.1	Low	75.8	Confident	173 Å²	173	108.4 Å²	108.4	100%	1.061	59%	0.585	S	S	*	*			trans	-105.6	0	173.2	41.3	0	0	0	0	112.4	I347	I347-T350 PolarHBondContact O-OG1 3.35Å; I347-T350 VanDerWaalsContact O-OG1 3.06Å

Retrieved 350 of 350 residues in 94.9 ms (Link to these results)

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