A0A077Z364_TRITR Loading...

Glutamine synthetase

AlphaFold DB , UniProt , Accession A0A077Z364, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 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	37	Very low	31.7	Very low	235 Å²	235	162.9 Å²	162.9	100%	1.158	84%	0.835	S	S	*	*				0	111.7	0	-91.7	175.2	171.2	0	0	108.1	H3	M1-H3 PolarHBondContact O-N 3.26Å
2	V	34.1	Very low	31.4	Very low	145 Å²	145	162.8 Å²	162.8	88%	0.879	83%	0.832	S	S	*	*			trans	-65.7	111.8	-167.5	-178.8	0	0	0	0	110.7	R4	V2-R4 PolarHBondContact O-N 3.09Å
3	H	30.4	Very low	31.5	Very low	176 Å²	176	156.8 Å²	156.8	82%	0.815	82%	0.822	S	S	*	*			trans	-71.9	114.1	172.2	-104.2	45.6	0	0	0	109.8	M1	M1-H3 PolarHBondContact O-N 3.26Å
4	R	34.3	Very low	31.5	Very low	227 Å²	227	157.9 Å²	157.9	86%	0.857	82%	0.817	S	S	*	*			trans	-90.1	103.7	164.1	-89.9	-175.4	171.9	-172	-1.7	108.8	V2 L6	V2-R4 PolarHBondContact O-N 3.09Å; R4-L6 PolarHBondContact O-N 2.69Å
5	V	32	Very low	31.7	Very low	127 Å²	127	154.7 Å²	154.7	77%	0.77	81%	0.808	S	S	*	*			trans	-77.4	102.9	164.8	176.1	0	0	0	0	107.5	C7	V5-C7 PolarHBondContact O-N 3.18Å
6	L	31.6	Very low	31.9	Very low	138 Å²	138	153.7 Å²	153.7	72%	0.723	80%	0.802	S	S	*	*			trans	-89.1	90.8	168.4	-100.2	152.8	0	0	0	108.1	R4 R8	R4-L6 PolarHBondContact O-N 2.69Å; L6-R8 HydrophobicContact CD2-CG 4.47Å; L6-R8 PolarHBondContact O-N 3.42Å
7	C	27.4	Very low	32.4	Very low	104 Å²	104	151.1 Å²	151.1	70%	0.703	80%	0.795	S	S	*	*			trans	-78.4	97.2	165.1	-154.3	0	0	0	0	107.4	V5	V5-C7 PolarHBondContact O-N 3.18Å
8	R	32	Very low	33	Very low	220 Å²	220	149.8 Å²	149.8	83%	0.83	79%	0.787	S	S	*	*			trans	-97.6	111.2	166.3	-84	-171.5	173.4	-162.1	-1.7	107.9	L6 A10	L6-R8 HydrophobicContact CD2-CG 4.47Å; L6-R8 PolarHBondContact O-N 3.42Å; R8-A10 PolarHBondContact O-N 3.2Å; R8-A10 VanDerWaalsContact O-N 3.12Å
9	F	29.2	Very low	33.7	Very low	189 Å²	189	148.7 Å²	148.7	83%	0.829	78%	0.782	S	S	*	*			trans	-50.6	112.1	169.4	-81.7	-98.9	0	0	0	109.9	T11	F9-T11 PolarHBondContact O-N 3.04Å
10	A	29.7	Very low	34.3	Very low	99 Å²	99	146.5 Å²	146.5	82%	0.818	78%	0.775	S	S	*	*			trans	-78.7	93.6	161.6	0	0	0	0	0	107	R8 M12	R8-A10 PolarHBondContact O-N 3.2Å; R8-A10 VanDerWaalsContact O-N 3.12Å; A10-M12 VanDerWaalsContact C-N 3.3Å; A10-M12 PolarHBondContact O-N 3.44Å
11	T	30.7	Very low	35.6	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	76%	0.761	S	S	*	*			trans	-67.9	95.9	166.1	-14.6	0	0	0	0	106.7	F9 A13	F9-T11 PolarHBondContact O-N 3.04Å; T11-A13 PolarHBondContact O-N 3.38Å
12	M	29.1	Very low	37.1	Very low	162 Å²	162	137.2 Å²	137.2	80%	0.798	74%	0.738	S	S	*	*			trans	-68.3	87.1	171.3	-144.5	-178.2	-165.6	0	0	106.8	A10 F14	A10-M12 VanDerWaalsContact C-N 3.3Å; A10-M12 PolarHBondContact O-N 3.44Å; M12-F14 VanDerWaalsContact C-N 3.25Å; M12-F14 PolarHBondContact O-N 3.33Å; M12-F14 HydrophobicContact SD-CD2 4.49Å; M12-F14 HydrophobicContact SD-CE2 4.23Å
13	A	31.8	Very low	39.3	Very low	84 Å²	84	135.4 Å²	135.4	69%	0.694	72%	0.724	S	S	*	*			trans	-68.9	91.7	169.2	0	0	0	0	0	107.1	T11 T15	T11-A13 PolarHBondContact O-N 3.38Å; A13-T15 PolarHBondContact O-N 3.12Å
14	F	32.1	Very low	41.9	Very low	173 Å²	173	131.4 Å²	131.4	76%	0.759	70%	0.704	S	S	*	*			trans	-65.1	89.9	160.4	-109.3	-94.8	0	0	0	106.6	M12 L16	M12-F14 VanDerWaalsContact C-N 3.25Å; M12-F14 PolarHBondContact O-N 3.33Å; M12-F14 HydrophobicContact SD-CD2 4.49Å; M12-F14 HydrophobicContact SD-CE2 4.23Å; F14-L16 VanDerWaalsContact C-N 3.25Å; F14-L16 PolarHBondContact O-N 3.2Å
15	T	34.3	Very low	44.4	Very low	110 Å²	110	123.8 Å²	123.8	68%	0.675	69%	0.685	S	S	*	*			trans	-67.7	95.9	166	-37.1	0	0	0	0	105.8	A13 T17	A13-T15 PolarHBondContact O-N 3.12Å; T15-T17 PolarHBondContact O-N 3.13Å
16	L	34.7	Very low	47.2	Very low	138 Å²	138	121 Å²	121	72%	0.723	67%	0.669	S	S	*	*			trans	-63.2	88.1	162	-140.3	96.4	0	0	0	105	F14 I18	F14-L16 VanDerWaalsContact C-N 3.25Å; F14-L16 PolarHBondContact O-N 3.2Å; L16-I18 HydrophobicContact CD2-CG1 4.37Å; L16-I18 PolarHBondContact O-N 2.81Å
17	T	40.4	Very low	50.1	Low	110 Å²	110	118.8 Å²	118.8	68%	0.675	66%	0.657	S	S	*	*			trans	-62.7	97.8	163.1	15.7	0	0	0	0	104.6	T15 N19	T15-T17 PolarHBondContact O-N 3.13Å; T17-N19 PolarHBondContact O-N 3.38Å
18	I	42.9	Very low	53.1	Low	127 Å²	127	115.9 Å²	115.9	65%	0.651	64%	0.638	S	S	*	*			trans	-63.9	80.6	166.2	-56.8	174.4	0	0	0	104.7	L16 T20	L16-I18 HydrophobicContact CD2-CG1 4.37Å; L16-I18 PolarHBondContact O-N 2.81Å; I18-T20 HydrophobicContact CG2-CG2 3.78Å; I18-T20 WeakPolarHBondContact CG2-OG1 3.35Å; I18-T20 PolarHBondContact O-N 2.84Å
19	N	46.1	Very low	56.1	Low	130 Å²	130	110.4 Å²	110.4	70%	0.695	63%	0.625	S	S	*	*			trans	-83	51.1	171.8	-135.5	0.2	0	0	0	106.8	T17 A21	T17-N19 PolarHBondContact O-N 3.38Å; N19-A21 PolarHBondContact O-N 2.74Å
20	T	47.1	Very low	59.2	Low	103 Å²	103	108.9 Å²	108.9	63%	0.632	62%	0.615	S	S	*	*			trans	-76.2	66.8	156	58	0	0	0	0	105.6	I18 N22	I18-T20 HydrophobicContact CG2-CG2 3.78Å; I18-T20 WeakPolarHBondContact CG2-OG1 3.35Å; I18-T20 PolarHBondContact O-N 2.84Å; T20-N22 PolarHBondContact O-N 2.62Å
21	A	60	Low	62.3	Low	58 Å²	58	108.7 Å²	108.7	48%	0.479	60%	0.6	S	S	.	*			trans	-58.6	100.9	166	0	0	0	0	0	105.1	N19 N23	N19-A21 PolarHBondContact O-N 2.74Å; A21-N23 PolarHBondContact O-N 2.95Å; A21-N23 VanDerWaalsContact O-N 3.08Å
22	N	69.9	Low	65.4	Low	130 Å²	130	109.7 Å²	109.7	70%	0.695	59%	0.593	S	S	*	*			trans	-47.2	123.6	177.9	-82.5	-28.3	0	0	0	107.3	T20 K24	T20-N22 PolarHBondContact O-N 2.62Å; N22-K24 PolarHBondContact O-N 3.38Å
23	N	79.3	Confident	68.6	Low	106 Å²	106	106.9 Å²	106.9	57%	0.567	58%	0.58	S	S	*	*			trans	-61	104.3	-174.1	-178.2	-5.9	0	0	0	109.1	A21 S25 V26	A21-N23 PolarHBondContact O-N 2.95Å; A21-N23 VanDerWaalsContact O-N 3.08Å; N23-S25 PolarHBondContact ND2-OG 3.02Å; N23-S25 PolarHBondContact O-N 2.7Å; N23-S25 VanDerWaalsContact O-N 3.12Å; N23-S25 WeakPolarHBondContact OD1-CB 3.49Å; N23-S25 PolarHBondContact OD1-N 2.79Å; N23-S25 VanDerWaalsContact OD1-N 3.1Å; N23-S25 PolarHBondContact OD1-OG 3.32Å; N23-V26 HydrophobicContact CB-CG2 3.98Å; N23-V26 WeakPolarHBondContact O-CB 3.27Å; N23-V26 PolarHBondContact O-N 2.89Å
24	K	84.7	Confident	71.7	Confident	93 Å²	93	108.7 Å²	108.7	40%	0.404	58%	0.584	S	S	.	*	H	α-helix	trans	-62.2	-23	-173.9	-61.4	-66	-171.6	165.4	0	112.2	N22 V26 L27 S28 D262	N22-K24 PolarHBondContact O-N 3.38Å; K24-V26 PolarHBondContact O-N 3.1Å; K24-L27 PolarHBondContact O-N 3.38Å; K24-S28 PolarHBondContact O-N 2.66Å; K24-D262 VanDerWaalsContact CE-O 3.27Å; K24-D262 WeakPolarHBondContact CE-O 3.37Å; K24-D262 IonicContact NZ-OD1 3.56Å; K24-D262 PolarHBondContact NZ-OD1 2.98Å
25	S	87.8	Confident	74.8	Confident	66 Å²	66	104.3 Å²	104.3	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-65.2	-29.7	174.4	79.7	0	0	0	0	112.4	N23 S28 N29	N23-S25 PolarHBondContact ND2-OG 3.02Å; N23-S25 PolarHBondContact O-N 2.7Å; N23-S25 VanDerWaalsContact O-N 3.12Å; N23-S25 WeakPolarHBondContact OD1-CB 3.49Å; N23-S25 PolarHBondContact OD1-N 2.79Å; N23-S25 VanDerWaalsContact OD1-N 3.1Å; N23-S25 PolarHBondContact OD1-OG 3.32Å; S25-S28 WeakPolarHBondContact O-CB 3.42Å; S25-S28 PolarHBondContact O-N 3.45Å; S25-N29 PolarHBondContact O-N 3.36Å
26	V	91.4	Very high	77.7	Confident	70 Å²	70	101.3 Å²	101.3	42%	0.424	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-45.8	178.3	178.4	0	0	0	0	110.2	N23 K24 S28 N29 Y30	N23-V26 HydrophobicContact CB-CG2 3.98Å; N23-V26 WeakPolarHBondContact O-CB 3.27Å; N23-V26 PolarHBondContact O-N 2.89Å; K24-V26 PolarHBondContact O-N 3.1Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.12Å; V26-N29 WeakPolarHBondContact O-CB 3.26Å; V26-N29 PolarHBondContact O-N 2.94Å; V26-Y30 HydrophobicContact CG1-CE2 4.02Å; V26-Y30 VanDerWaalsContact O-CD2 3.23Å; V26-Y30 WeakPolarHBondContact O-CD2 3.41Å
27	L	90.7	Very high	80.7	Confident	90 Å²	90	101 Å²	101	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-60.2	-40.2	176.2	179.4	60.5	0	0	0	111.7	K24 N29 Y30 L31	K24-L27 PolarHBondContact O-N 3.38Å; L27-N29 PolarHBondContact O-N 3.41Å; L27-Y30 PolarHBondContact O-N 3.25Å; L27-L31 HydrophobicContact CD1-CD1 4.42Å; L27-L31 HydrophobicContact CD1-CG 4.26Å; L27-L31 HydrophobicContact CD2-CD1 4.35Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.24Å; L27-L31 PolarHBondContact O-N 3.15Å; L27-L31 VanDerWaalsContact O-N 3.13Å
28	S	91.4	Very high	83.4	Confident	44 Å²	44	100.6 Å²	100.6	31%	0.308	55%	0.545	S	S	.	.	H	α-helix	trans	-57.3	-32.2	178.1	-171.4	0	0	0	0	113.1	K24 S25 V26 Y30 K32	K24-S28 PolarHBondContact O-N 2.66Å; S25-S28 WeakPolarHBondContact O-CB 3.42Å; S25-S28 PolarHBondContact O-N 3.45Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.12Å; S28-Y30 VanDerWaalsContact C-N 3.3Å; S28-Y30 PolarHBondContact O-N 2.82Å; S28-K32 WeakPolarHBondContact O-CD 3.21Å; S28-K32 VanDerWaalsContact O-CG 3.26Å; S28-K32 WeakPolarHBondContact O-CG 3.43Å; S28-K32 PolarHBondContact O-N 3.38Å; S28-K32 VanDerWaalsContact OG-CE 3.27Å; S28-K32 WeakPolarHBondContact OG-CE 3.49Å; S28-K32 PolarHBondContact OG-NZ 2.84Å
29	N	94	Very high	86.1	Confident	104 Å²	104	94.6 Å²	94.6	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-64.1	-36.5	177.2	-66.9	-21.7	0	0	0	112.2	S25 V26 L27	S25-N29 PolarHBondContact O-N 3.36Å; V26-N29 WeakPolarHBondContact O-CB 3.26Å; V26-N29 PolarHBondContact O-N 2.94Å; L27-N29 PolarHBondContact O-N 3.41Å
30	Y	95.5	Very high	88.6	Confident	157 Å²	157	92 Å²	92	62%	0.616	50%	0.498	S	S	*	.	H	α-helix	trans	-79.4	-39.1	179.7	-63.5	-81.7	0	0	0	112.2	V26 L27 S28 K32 I33	V26-Y30 HydrophobicContact CG1-CE2 4.02Å; V26-Y30 VanDerWaalsContact O-CD2 3.23Å; V26-Y30 WeakPolarHBondContact O-CD2 3.41Å; L27-Y30 PolarHBondContact O-N 3.25Å; S28-Y30 VanDerWaalsContact C-N 3.3Å; S28-Y30 PolarHBondContact O-N 2.82Å; Y30-K32 PolarHBondContact O-N 2.92Å; Y30-I33 HydrophobicContact CD1-CD1 4.18Å; Y30-I33 WeakPolarHBondContact O-CB 3.5Å; Y30-I33 WeakPolarHBondContact O-CG1 3.35Å; Y30-I33 PolarHBondContact O-N 2.85Å; Y30-I33 VanDerWaalsContact O-N 3.12Å
31	L	94.6	Very high	91	Very high	96 Å²	96	87 Å²	87	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-66.5	-17.4	178.7	-67.3	178.1	0	0	0	113.7	L27 L103	L27-L31 HydrophobicContact CD1-CD1 4.42Å; L27-L31 HydrophobicContact CD1-CG 4.26Å; L27-L31 HydrophobicContact CD2-CD1 4.35Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.24Å; L27-L31 PolarHBondContact O-N 3.15Å; L27-L31 VanDerWaalsContact O-N 3.13Å; L31-L103 HydrophobicContact CD2-CD2 4.02Å
32	K	94.7	Very high	92.9	Very high	152 Å²	152	84.6 Å²	84.6	66%	0.661	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.1	175.6	-71.9	168.9	-175.5	168.9	0	113.8	S28 Y30	S28-K32 WeakPolarHBondContact O-CD 3.21Å; S28-K32 VanDerWaalsContact O-CG 3.26Å; S28-K32 WeakPolarHBondContact O-CG 3.43Å; S28-K32 PolarHBondContact O-N 3.38Å; S28-K32 VanDerWaalsContact OG-CE 3.27Å; S28-K32 WeakPolarHBondContact OG-CE 3.49Å; S28-K32 PolarHBondContact OG-NZ 2.84Å; Y30-K32 PolarHBondContact O-N 2.92Å
33	I	96.8	Very high	94.3	Very high	104 Å²	104	78.4 Å²	78.4	53%	0.533	41%	0.414	S	S	.	.	S	Bend	trans	-65.3	129.5	177.5	-62.3	171.6	0	0	0	108	Y30 Q35	Y30-I33 HydrophobicContact CD1-CD1 4.18Å; Y30-I33 WeakPolarHBondContact O-CB 3.5Å; Y30-I33 WeakPolarHBondContact O-CG1 3.35Å; Y30-I33 PolarHBondContact O-N 2.85Å; Y30-I33 VanDerWaalsContact O-N 3.12Å; I33-Q35 PolarHBondContact O-N 2.97Å; I33-Q35 VanDerWaalsContact O-N 3.09Å
34	P	96.9	Very high	95.2	Very high	121 Å²	121	73.4 Å²	73.4	79%	0.786	39%	0.387	S	S	*	.			trans	-57	117.5	174.4	-24.4	34.1	0	0	0	110.8	G36	P34-G36 PolarHBondContact O-N 2.77Å
35	Q	96.7	Very high	95.9	Very high	81 Å²	81	69.5 Å²	69.5	38%	0.379	37%	0.37	S	S	.	.			trans	-73.5	-12.2	-173.4	89.2	-177.8	52.3	0	0	114.3	I33 K38 N107	I33-Q35 PolarHBondContact O-N 2.97Å; I33-Q35 VanDerWaalsContact O-N 3.09Å; Q35-K38 PolarHBondContact NE2-O 3.44Å; Q35-N107 PolarHBondContact NE2-OD1 2.85Å; Q35-N107 PolarHBondContact OE1-ND2 2.96Å; Q35-N107 PolarHBondContact OE1-OD1 2.9Å
36	G	96.5	Very high	96.3	Very high	47 Å²	47	67 Å²	67	49%	0.485	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-146.6	-174.2	0	0	0	0	0	113.2	P34 K106	P34-G36 PolarHBondContact O-N 2.77Å; G36-K106 WeakPolarHBondContact O-CE 3.42Å
37	D	96.5	Very high	96.5	Very high	131 Å²	131	63.7 Å²	63.7	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-17.3	-169.5	-64.9	-40.7	0	0	0	114.9	K106	D37-K106 VanDerWaalsContact C-NZ 3.26Å; D37-K106 VanDerWaalsContact CA-NZ 3.34Å; D37-K106 WeakPolarHBondContact O-CE 3.48Å; D37-K106 PolarHBondContact O-NZ 2.68Å
38	K	98.2	Very high	96.6	Very high	102 Å²	102	59.4 Å²	59.4	44%	0.443	31%	0.309	S	S	.	.			trans	-71	159.1	178	-60.4	-55.6	-177.3	-172.8	0	111.2	Q35 T59 L60 D61 K106	Q35-K38 PolarHBondContact NE2-O 3.44Å; K38-T59 HydrophobicContact CB-CG2 3.71Å; K38-T59 HydrophobicContact CD-CG2 4.27Å; K38-T59 HydrophobicContact CG-CG2 4.1Å; K38-L60 WeakPolarHBondContact CA-O 3.33Å; K38-D61 IonicContact NZ-OD1 3.72Å; K38-D61 PolarHBondContact NZ-OD1 3.44Å; K38-K106 WeakPolarHBondContact O-CE 3.41Å
39	V	98.6	Very high	96.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.9	-179.3	-175.6	0	0	0	0	110.2	T59 L60 E62 E63 K106	V39-T59 CarbonylContact O-C 3.49Å; V39-T59 VanDerWaalsContact O-CA 3.31Å; V39-T59 WeakPolarHBondContact O-CA 3.29Å; V39-L60 HydrophobicContact CB-CB 4.28Å; V39-L60 PolarHBondContact N-O 3.18Å; V39-L60 PolarHBondContact O-N 3.15Å; V39-E62 VanDerWaalsContact CG2-C 3.5Å; V39-E62 WeakPolarHBondContact CG2-O 3.23Å; V39-E63 HydrophobicContact CG2-CB 4.13Å; V39-K106 HydrophobicContact CG1-CG 4.5Å; V39-K106 VanDerWaalsContact CG1-O 3.23Å; V39-K106 WeakPolarHBondContact CG1-O 3.44Å; V39-K106 HydrophobicContact CG2-CD 3.56Å; V39-K106 HydrophobicContact CG2-CG 3.74Å
40	Q	98.8	Very high	96.5	Very high	75 Å²	75	53.4 Å²	53.4	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.9	170.2	-62.5	-179.7	-91.2	0	0	109.4	T57 L103 N107 K108	Q40-T57 HydrophobicContact CB-CG2 3.75Å; Q40-T57 HydrophobicContact CG-CG2 4.33Å; Q40-L103 HydrophobicContact CB-CD1 4.03Å; Q40-N107 HydrophobicContact CB-CB 4.26Å; Q40-N107 WeakPolarHBondContact CB-OD1 3.46Å; Q40-N107 PolarHBondContact N-OD1 2.7Å; Q40-N107 WeakPolarHBondContact O-CA 3.44Å; Q40-N107 WeakPolarHBondContact O-CB 3.46Å; Q40-K108 PolarHBondContact O-N 2.87Å
41	A	98.9	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.3	173	0	0	0	0	0	109.3	Y43 T57 R58 L60 L70 K108 V110	A41-Y43 HydrophobicContact CB-CD2 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.99Å; A41-T57 WeakPolarHBondContact O-CA 3.5Å; A41-R58 HydrophobicContact CB-CG 4.26Å; A41-R58 PolarHBondContact N-O 3.33Å; A41-R58 PolarHBondContact O-N 2.8Å; A41-L60 HydrophobicContact CB-CD1 3.72Å; A41-L60 HydrophobicContact CB-CG 4.04Å; A41-L70 HydrophobicContact CB-CD2 4.5Å; A41-K108 WeakPolarHBondContact CA-O 3.37Å; A41-V110 HydrophobicContact CB-CG2 4.38Å
42	T	98.9	Very high	96.4	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	108.8	179.4	-56.9	0	0	0	0	109.3	V44 A55 K56 T57 K108 L109 V110	T42-V44 HydrophobicContact CG2-CG2 4.39Å; T42-A55 HydrophobicContact CG2-CB 3.96Å; T42-K56 CarbonylContact C-O 3.58Å; T42-K56 WeakPolarHBondContact CA-O 3.34Å; T42-T57 PolarHBondContact OG1-OG1 3.2Å; T42-K108 PolarHBondContact N-O 3.38Å; T42-L109 HydrophobicContact CG2-CD2 4.14Å; T42-V110 PolarHBondContact O-N 3.12Å
43	Y	98.9	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	179	-78.5	-131.4	0	0	0	108.5	A41 A55 K56 R58 P71 W73 L92 P94 V110 C112	A41-Y43 HydrophobicContact CB-CD2 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.99Å; Y43-A55 CarbonylContact O-C 3.55Å; Y43-A55 WeakPolarHBondContact O-CA 3.26Å; Y43-K56 PolarHBondContact N-O 2.9Å; Y43-K56 PolarHBondContact O-N 3.35Å; Y43-R58 HydrophobicContact CD2-CG 4.48Å; Y43-R58 HydrophobicContact CE2-CG 4.08Å; Y43-P71 WeakPolarHBondContact CE1-O 3.46Å; Y43-P71 VanDerWaalsContact OH-CD 3.29Å; Y43-P71 WeakPolarHBondContact OH-CD 3.32Å; Y43-P71 PolarHBondContact OH-O 3.32Å; Y43-W73 HydrophobicContact CD1-CB 4.22Å; Y43-W73 HydrophobicContact CD1-CE3 4.07Å; Y43-W73 HydrophobicContact CD2-CE3 4.01Å; Y43-W73 HydrophobicContact CD2-CZ3 4.26Å; Y43-W73 HydrophobicContact CE1-CB 4.06Å; Y43-W73 HydrophobicContact CE1-CE3 4.41Å; Y43-W73 HydrophobicContact CE2-CE3 4.37Å; Y43-W73 AromaticContact CG-CE3 3.87Å; Y43-W73 HydrophobicContact CG-CE3 3.87Å; Y43-W73 HydrophobicContact CG-CZ3 4.36Å; Y43-L92 HydrophobicContact CD1-CB 4.24Å; Y43-L92 HydrophobicContact CD1-CD1 4.41Å; Y43-P94 HydrophobicContact CE1-CG 3.78Å; Y43-V110 CarbonylContact C-O 3.57Å; Y43-V110 WeakPolarHBondContact CA-O 3.4Å; Y43-V110 HydrophobicContact CD1-CG1 4.42Å; Y43-V110 HydrophobicContact CD2-CB 4.04Å; Y43-V110 HydrophobicContact CD2-CG1 4.43Å; Y43-V110 HydrophobicContact CD2-CG2 4.23Å; Y43-V110 HydrophobicContact CE1-CG1 4.38Å; Y43-V110 HydrophobicContact CE2-CB 4.24Å; Y43-V110 HydrophobicContact CE2-CG1 4.37Å; Y43-V110 HydrophobicContact CE2-CG2 4.11Å; Y43-V110 HydrophobicContact CG-CB 4.29Å; Y43-V110 HydrophobicContact CG-CG1 4.44Å; Y43-C112 WeakPolarHBondContact CD1-SG 3.31Å
44	V	98.9	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.1	-176.8	-174.7	0	0	0	0	109	T42 M53 R54 A55 V110 C112 M251 Y254	T42-V44 HydrophobicContact CG2-CG2 4.39Å; V44-M53 HydrophobicContact CG1-CB 4.32Å; V44-M53 HydrophobicContact CG1-CG 4.47Å; V44-M53 HydrophobicContact CG1-SD 4.01Å; V44-R54 VanDerWaalsContact CA-O 3.32Å; V44-R54 WeakPolarHBondContact CA-O 3.23Å; V44-A55 HydrophobicContact CG2-CB 4.07Å; V44-V110 PolarHBondContact N-O 3.15Å; V44-C112 PolarHBondContact O-N 3.26Å; V44-M251 HydrophobicContact CB-CE 4.48Å; V44-M251 HydrophobicContact CB-SD 4.09Å; V44-M251 HydrophobicContact CG1-SD 4.18Å; V44-M251 HydrophobicContact CG2-CE 4.15Å; V44-M251 HydrophobicContact CG2-SD 4.41Å; V44-Y254 HydrophobicContact CG1-CD2 3.67Å; V44-Y254 HydrophobicContact CG1-CE2 4.16Å; V44-Y254 HydrophobicContact CG1-CG 3.88Å; V44-Y254 HydrophobicContact CG2-CD1 4.08Å; V44-Y254 HydrophobicContact CG2-CD2 4.19Å; V44-Y254 HydrophobicContact CG2-CE1 3.9Å; V44-Y254 HydrophobicContact CG2-CE2 4.02Å; V44-Y254 HydrophobicContact CG2-CG 4.23Å
45	W	98.6	Very high	96.7	Very high	12 Å²	12	38 Å²	38	5%	0.045	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.3	177.6	70.6	99	0	0	0	112.1	M53 R54 K56 F75 L92 C112 T114	W45-M53 CarbonylContact O-C 3.49Å; W45-M53 VanDerWaalsContact O-CA 3.26Å; W45-M53 WeakPolarHBondContact O-CA 3.37Å; W45-R54 HydrophobicContact CD2-CB 3.83Å; W45-R54 HydrophobicContact CE3-CB 4.21Å; W45-R54 HydrophobicContact CG-CB 4.47Å; W45-R54 HydrophobicContact CH2-CB 3.79Å; W45-R54 HydrophobicContact CZ2-CB 3.38Å; W45-R54 HydrophobicContact CZ2-CG 4.17Å; W45-R54 HydrophobicContact CZ3-CB 4.19Å; W45-R54 PolarHBondContact N-O 3.32Å; W45-R54 PolarHBondContact O-N 3.01Å; W45-K56 HydrophobicContact CH2-CD 4.36Å; W45-K56 HydrophobicContact CH2-CG 4.2Å; W45-K56 HydrophobicContact CZ3-CG 3.99Å; W45-F75 AromaticContact CD1-CZ 3.79Å; W45-F75 HydrophobicContact CD2-CE1 4.49Å; W45-F75 AromaticContact CE2-CD2 3.97Å; W45-F75 AromaticContact CE2-CE2 3.96Å; W45-F75 AromaticContact CE2-CZ 3.98Å; W45-F75 HydrophobicContact CG-CE1 4.49Å; W45-F75 HydrophobicContact CH2-CB 4.39Å; W45-F75 HydrophobicContact CH2-CG 4.41Å; W45-F75 HydrophobicContact CZ2-CB 4.15Å; W45-F75 HydrophobicContact CZ2-CD1 4.21Å; W45-F75 AromaticContact CZ2-CD2 3.73Å; W45-F75 HydrophobicContact CZ2-CD2 3.73Å; W45-F75 HydrophobicContact CZ2-CE2 4.17Å; W45-F75 AromaticContact CZ2-CG 3.75Å; W45-F75 HydrophobicContact CZ2-CG 3.75Å; W45-F75 AromaticContact NE1-CD2 3.92Å; W45-F75 AromaticContact NE1-CE1 3.77Å; W45-F75 AromaticContact NE1-CE2 3.43Å; W45-F75 AromaticContact NE1-CZ 3.32Å; W45-F75 VanDerWaalsContact NE1-CZ 3.32Å; W45-L92 HydrophobicContact CB-CD2 3.65Å; W45-L92 HydrophobicContact CD2-CD1 4.47Å; W45-L92 HydrophobicContact CD2-CD2 3.74Å; W45-L92 HydrophobicContact CE3-CD1 4.01Å; W45-L92 HydrophobicContact CE3-CD2 3.93Å; W45-L92 HydrophobicContact CG-CD2 3.65Å; W45-L92 HydrophobicContact CZ3-CD1 4.18Å; W45-C112 HydrophobicContact CB-CB 4.47Å; W45-T114 HydrophobicContact CB-CG2 3.86Å; W45-T114 HydrophobicContact CG-CG2 3.97Å
46	I	97.6	Very high	96.8	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.9	175.7	-57.9	138.5	0	0	0	108.6	M53 Q82 W250 Y380	I46-M53 HydrophobicContact CG1-CG 4.23Å; I46-Q82 PolarHBondContact O-NE2 2.79Å; I46-Q82 VanDerWaalsContact O-NE2 3.15Å; I46-W250 HydrophobicContact CD1-CD2 3.78Å; I46-W250 HydrophobicContact CD1-CE3 4.43Å; I46-W250 HydrophobicContact CD1-CG 3.99Å; I46-W250 HydrophobicContact CD1-CZ2 4Å; I46-W250 HydrophobicContact CG1-CD2 3.84Å; I46-W250 HydrophobicContact CG1-CE3 3.99Å; I46-W250 HydrophobicContact CG1-CG 4.43Å; I46-W250 HydrophobicContact CG1-CH2 4.14Å; I46-W250 HydrophobicContact CG1-CZ2 4.01Å; I46-W250 HydrophobicContact CG1-CZ3 4.13Å; I46-W250 HydrophobicContact CG2-CH2 4.17Å; I46-W250 HydrophobicContact CG2-CZ2 4.29Å; I46-Y380 HydrophobicContact CD1-CD2 4.45Å; I46-Y380 HydrophobicContact CD1-CE2 3.83Å
47	D	94.7	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.			trans	-83.8	179.9	-180	75.8	17.1	0	0	0	113.5	T49 G50 N52 R54	D47-T49 PolarHBondContact O-N 3.08Å; D47-T49 VanDerWaalsContact O-N 3.08Å; D47-T49 WeakPolarHBondContact OD1-CA 3.21Å; D47-T49 WeakPolarHBondContact OD1-CB 3.48Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.11Å; D47-T49 PolarHBondContact OD1-N 2.79Å; D47-T49 PolarHBondContact OD1-OG1 2.82Å; D47-G50 PolarHBondContact O-N 3.01Å; D47-N52 PolarHBondContact N-O 2.85Å; D47-N52 WeakPolarHBondContact OD2-CB 3.41Å; D47-R54 HydrophobicContact CB-CG 3.85Å; D47-R54 IonicContact OD2-CZ 2.85Å; D47-R54 VanDerWaalsContact OD2-CZ 3.23Å; D47-R54 IonicContact OD2-NE 2.87Å; D47-R54 PolarHBondContact OD2-NE 3.1Å; D47-R54 IonicContact OD2-NH2 3.93Å; D47-R54 PolarHBondContact OD2-NH2 3.02Å
48	G	92.2	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8	-178.5	0	0	0	0	0	114.7	G50 T80 R124	G48-G50 VanDerWaalsContact C-N 3.3Å; G48-T80 WeakPolarHBondContact CA-O 3.27Å; G48-T80 PolarHBondContact N-O 3.1Å; G48-R124 WeakPolarHBondContact O-CG 3.19Å; G48-R124 PolarHBondContact O-NE 3.03Å
49	T	90.9	Very high	97	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.049	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-31.9	169.2	68.9	0	0	0	0	111.2	D47 E51 N52 R124 V132 I139	D47-T49 PolarHBondContact O-N 3.08Å; D47-T49 VanDerWaalsContact O-N 3.08Å; D47-T49 WeakPolarHBondContact OD1-CA 3.21Å; D47-T49 WeakPolarHBondContact OD1-CB 3.48Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.11Å; D47-T49 PolarHBondContact OD1-N 2.79Å; D47-T49 PolarHBondContact OD1-OG1 2.82Å; T49-E51 VanDerWaalsContact C-N 3.25Å; T49-E51 PolarHBondContact OG1-N 2.94Å; T49-N52 PolarHBondContact OG1-N 2.82Å; T49-N52 VanDerWaalsContact OG1-N 3.15Å; T49-N52 PolarHBondContact OG1-ND2 3.49Å; T49-R124 PolarHBondContact O-NH2 3.45Å; T49-R124 VanDerWaalsContact O-NH2 3.15Å; T49-V132 HydrophobicContact CG2-CG2 4.14Å; T49-I139 WeakPolarHBondContact O-CD1 3.48Å
50	G	92.3	Very high	97	Very high	13 Å²	13	35.9 Å²	35.9	13%	0.134	19%	0.185	C	C	.	.	S	Bend	trans	82.2	-0.6	-171.3	0	0	0	0	0	113.9	D47 G48 W250	D47-G50 PolarHBondContact O-N 3.01Å; G48-G50 VanDerWaalsContact C-N 3.3Å; G50-W250 WeakPolarHBondContact O-CH2 3.26Å
51	E	93.8	Very high	97	Very high	53 Å²	53	38.1 Å²	38.1	25%	0.248	20%	0.2	C	C	.	.	S	Bend	trans	-118.2	-39.8	-175.7	-66	179.5	-79.9	0	0	111.9	T49 A321 H322 N376	T49-E51 VanDerWaalsContact C-N 3.25Å; T49-E51 PolarHBondContact OG1-N 2.94Å; E51-A321 HydrophobicContact CG-CB 3.31Å; E51-A321 WeakPolarHBondContact OE2-CB 3.47Å; E51-H322 IonicContact OE1-CE1 2.82Å; E51-H322 PolarHBondContact OE1-CE1 3.45Å; E51-H322 IonicContact OE1-NE2 2.81Å; E51-H322 IonicContact OE2-CE1 2.87Å; E51-N376 PolarHBondContact OE2-ND2 3.05Å
52	N	94.7	Very high	96.9	Very high	84 Å²	84	45 Å²	45	45%	0.449	23%	0.232	S	C	.	.			trans	-92.6	143.3	-173.3	-61.3	-69.3	0	0	0	111.4	D47 T49	D47-N52 PolarHBondContact N-O 2.85Å; D47-N52 WeakPolarHBondContact OD2-CB 3.41Å; T49-N52 PolarHBondContact OG1-N 2.82Å; T49-N52 VanDerWaalsContact OG1-N 3.15Å; T49-N52 PolarHBondContact OG1-ND2 3.49Å
53	M	97.2	Very high	96.8	Very high	33 Å²	33	47.1 Å²	47.1	16%	0.163	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	150.4	169.8	-75.4	-179.8	-68.7	0	0	112	V44 W45 I46 W250 R253	V44-M53 HydrophobicContact CG1-CB 4.32Å; V44-M53 HydrophobicContact CG1-CG 4.47Å; V44-M53 HydrophobicContact CG1-SD 4.01Å; W45-M53 CarbonylContact O-C 3.49Å; W45-M53 VanDerWaalsContact O-CA 3.26Å; W45-M53 WeakPolarHBondContact O-CA 3.37Å; I46-M53 HydrophobicContact CG1-CG 4.23Å; M53-W250 HydrophobicContact CE-CE3 3.96Å; M53-W250 HydrophobicContact CE-CZ3 4.38Å; M53-W250 VanDerWaalsContact CE-O 3.27Å; M53-W250 WeakPolarHBondContact CE-O 3.33Å; M53-W250 HydrophobicContact CG-CE3 3.87Å; M53-W250 HydrophobicContact CG-CZ3 4.04Å; M53-W250 HydrophobicContact SD-CB 4.39Å; M53-W250 HydrophobicContact SD-CE3 3.63Å; M53-W250 HydrophobicContact SD-CZ3 4.33Å; M53-R253 HydrophobicContact CE-CB 3.71Å
54	R	98.5	Very high	96.8	Very high	94 Å²	94	47.4 Å²	47.4	36%	0.355	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.9	175.9	-54.1	-62.1	-175.9	117.1	5	108.4	V44 W45 D47 T80	V44-R54 VanDerWaalsContact CA-O 3.32Å; V44-R54 WeakPolarHBondContact CA-O 3.23Å; W45-R54 HydrophobicContact CD2-CB 3.83Å; W45-R54 HydrophobicContact CE3-CB 4.21Å; W45-R54 HydrophobicContact CG-CB 4.47Å; W45-R54 HydrophobicContact CH2-CB 3.79Å; W45-R54 HydrophobicContact CZ2-CB 3.38Å; W45-R54 HydrophobicContact CZ2-CG 4.17Å; W45-R54 HydrophobicContact CZ3-CB 4.19Å; W45-R54 PolarHBondContact N-O 3.32Å; W45-R54 PolarHBondContact O-N 3.01Å; D47-R54 HydrophobicContact CB-CG 3.85Å; D47-R54 IonicContact OD2-CZ 2.85Å; D47-R54 VanDerWaalsContact OD2-CZ 3.23Å; D47-R54 IonicContact OD2-NE 2.87Å; D47-R54 PolarHBondContact OD2-NE 3.1Å; D47-R54 IonicContact OD2-NH2 3.93Å; D47-R54 PolarHBondContact OD2-NH2 3.02Å; R54-T80 HydrophobicContact CG-CG2 4.34Å
55	A	98.7	Very high	96.7	Very high	42 Å²	42	54.5 Å²	54.5	35%	0.347	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.1	177.5	0	0	0	0	0	112.6	T42 Y43 V44 Y254	T42-A55 HydrophobicContact CG2-CB 3.96Å; Y43-A55 CarbonylContact O-C 3.55Å; Y43-A55 WeakPolarHBondContact O-CA 3.26Å; V44-A55 HydrophobicContact CG2-CB 4.07Å; A55-Y254 HydrophobicContact CB-CE2 3.66Å
56	K	98.8	Very high	96.7	Very high	64 Å²	64	56 Å²	56	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155.2	167.1	68.4	179	-173.6	164.1	0	111.8	T42 Y43 W45 W73 N74	T42-K56 CarbonylContact C-O 3.58Å; T42-K56 WeakPolarHBondContact CA-O 3.34Å; Y43-K56 PolarHBondContact N-O 2.9Å; Y43-K56 PolarHBondContact O-N 3.35Å; W45-K56 HydrophobicContact CH2-CD 4.36Å; W45-K56 HydrophobicContact CH2-CG 4.2Å; W45-K56 HydrophobicContact CZ3-CG 3.99Å; K56-W73 HydrophobicContact CD-CH2 4.03Å; K56-W73 HydrophobicContact CD-CZ2 4.28Å; K56-W73 HydrophobicContact CD-CZ3 4.29Å; K56-W73 HydrophobicContact CG-CE3 4.46Å; K56-W73 HydrophobicContact CG-CH2 3.92Å; K56-W73 HydrophobicContact CG-CZ3 3.84Å; K56-N74 VanDerWaalsContact CE-O 3.23Å; K56-N74 WeakPolarHBondContact CE-O 3.41Å; K56-N74 PolarHBondContact NZ-O 3.26Å
57	T	98.8	Very high	96.7	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.393	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.9	-171.7	-50	0	0	0	0	111.8	Q40 A41 T42 W73	Q40-T57 HydrophobicContact CB-CG2 3.75Å; Q40-T57 HydrophobicContact CG-CG2 4.33Å; A41-T57 WeakPolarHBondContact O-CA 3.5Å; T42-T57 PolarHBondContact OG1-OG1 3.2Å; T57-W73 WeakPolarHBondContact O-CH2 3.39Å
58	R	98.7	Very high	96.8	Very high	75 Å²	75	66.9 Å²	66.9	28%	0.283	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	160.1	164.8	62.1	-175.9	-58.4	151.5	1.7	111.1	A41 Y43 L60 P71 W73	A41-R58 HydrophobicContact CB-CG 4.26Å; A41-R58 PolarHBondContact N-O 3.33Å; A41-R58 PolarHBondContact O-N 2.8Å; Y43-R58 HydrophobicContact CD2-CG 4.48Å; Y43-R58 HydrophobicContact CE2-CG 4.08Å; R58-L60 HydrophobicContact CG-CD2 4.13Å; R58-P71 VanDerWaalsContact CZ-CG 3.49Å; R58-W73 HydrophobicContact CB-CE3 4.18Å; R58-W73 HydrophobicContact CB-CH2 3.46Å; R58-W73 VanDerWaalsContact CB-CH2 3.46Å; R58-W73 HydrophobicContact CB-CZ2 4.07Å; R58-W73 HydrophobicContact CB-CZ3 3.5Å; R58-W73 VanDerWaalsContact CB-CZ3 3.5Å; R58-W73 HydrophobicContact CG-CE3 4.08Å; R58-W73 HydrophobicContact CG-CH2 4.23Å; R58-W73 HydrophobicContact CG-CZ3 3.73Å
59	T	98.7	Very high	97.1	Very high	93 Å²	93	71.6 Å²	71.6	57%	0.571	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.9	167.4	-52.2	0	0	0	0	109.5	K38 V39	K38-T59 HydrophobicContact CB-CG2 3.71Å; K38-T59 HydrophobicContact CD-CG2 4.27Å; K38-T59 HydrophobicContact CG-CG2 4.1Å; V39-T59 CarbonylContact O-C 3.49Å; V39-T59 VanDerWaalsContact O-CA 3.31Å; V39-T59 WeakPolarHBondContact O-CA 3.29Å
60	L	98.6	Very high	97.5	Very high	22 Å²	22	71.7 Å²	71.7	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.3	168.6	-53.7	177.8	0	0	0	109.1	K38 V39 A41 R58 E62 P64 L70 P71	K38-L60 WeakPolarHBondContact CA-O 3.33Å; V39-L60 HydrophobicContact CB-CB 4.28Å; V39-L60 PolarHBondContact N-O 3.18Å; V39-L60 PolarHBondContact O-N 3.15Å; A41-L60 HydrophobicContact CB-CD1 3.72Å; A41-L60 HydrophobicContact CB-CG 4.04Å; R58-L60 HydrophobicContact CG-CD2 4.13Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-P64 HydrophobicContact CD1-CG 3.95Å; L60-L70 HydrophobicContact CD1-CD2 3.86Å; L60-P71 HydrophobicContact CD2-CG 4.15Å
61	D	98.2	Very high	97.8	Very high	122 Å²	122	73.2 Å²	73.2	65%	0.652	37%	0.367	S	S	*	.	S	Bend	trans	-74.4	-27.9	-179.5	-67.8	-42.3	0	0	0	112.8	K38	K38-D61 IonicContact NZ-OD1 3.72Å; K38-D61 PolarHBondContact NZ-OD1 3.44Å
62	E	96.9	Very high	98	Very high	146 Å²	146	74.8 Å²	74.8	68%	0.682	38%	0.376	S	S	*	.	S	Bend	trans	-143.7	170.1	179.9	64.9	-173	155	0	0	111.8	V39 L60 P64	V39-E62 VanDerWaalsContact CG2-C 3.5Å; V39-E62 WeakPolarHBondContact CG2-O 3.23Å; L60-E62 VanDerWaalsContact C-N 3.34Å; E62-P64 WeakPolarHBondContact O-CD 3.42Å
63	E	98.1	Very high	98.1	Very high	50 Å²	50	73.3 Å²	73.3	23%	0.234	36%	0.364	C	S	.	.			trans	-79	117.8	178.5	-173.3	-171.8	-158.4	0	0	110.7	V39 K65 K106 K108	V39-E63 HydrophobicContact CG2-CB 4.13Å; E63-K65 PolarHBondContact O-N 3.24Å; E63-K65 IonicContact OE2-NZ 2.62Å; E63-K65 PolarHBondContact OE2-NZ 2.66Å; E63-K106 HydrophobicContact CB-CB 4.32Å; E63-K106 HydrophobicContact CB-CD 4.2Å; E63-K106 HydrophobicContact CG-CB 4.02Å; E63-K108 WeakPolarHBondContact OE1-CE 3.4Å; E63-K108 IonicContact OE1-NZ 3.02Å; E63-K108 PolarHBondContact OE1-NZ 2.86Å
64	P	97.9	Very high	98.2	Very high	7 Å²	7	74.5 Å²	74.5	5%	0.045	37%	0.371	C	S	.	.			trans	-66	133.7	177.5	28.9	-34.9	0	0	0	110.1	L60 E62 E69 L70 M97 K108	L60-P64 HydrophobicContact CD1-CG 3.95Å; E62-P64 WeakPolarHBondContact O-CD 3.42Å; P64-E69 HydrophobicContact CB-CB 4.16Å; P64-L70 HydrophobicContact CB-CD2 4.02Å; P64-L70 HydrophobicContact CB-CG 4.24Å; P64-L70 HydrophobicContact CG-CD2 3.74Å; P64-L70 HydrophobicContact CG-CG 4.39Å; P64-M97 HydrophobicContact CB-SD 4.16Å; P64-M97 HydrophobicContact CG-SD 3.69Å; P64-K108 HydrophobicContact CG-CG 4.03Å
65	K	97.2	Very high	98.2	Very high	149 Å²	149	70.4 Å²	70.4	65%	0.648	36%	0.356	S	S	*	.	S	Bend	trans	-91.1	-19.4	178.5	-55.5	-54.9	176.6	-175.9	0	112.6	E63 E69	E63-K65 PolarHBondContact O-N 3.24Å; E63-K65 IonicContact OE2-NZ 2.62Å; E63-K65 PolarHBondContact OE2-NZ 2.66Å; K65-E69 PolarHBondContact N-OE2 2.92Å
66	S	97.8	Very high	98.1	Very high	43 Å²	43	71.4 Å²	71.4	30%	0.301	36%	0.355	S	S	.	.	S	Bend	trans	-145.1	160.8	177.5	68.4	0	0	0	0	111.8	K68 E69	S66-K68 PolarHBondContact O-N 3.15Å; S66-K68 VanDerWaalsContact O-N 3.17Å; S66-E69 PolarHBondContact N-OE1 3.36Å; S66-E69 VanDerWaalsContact N-OE1 3.15Å; S66-E69 PolarHBondContact O-N 2.97Å; S66-E69 PolarHBondContact OG-OE1 3.17Å
67	V	97.9	Very high	97.9	Very high	43 Å²	43	68.3 Å²	68.3	26%	0.261	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-57	-30.5	175.2	178.4	0	0	0	0	111.7	E69 L70 P94 M97	V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.17Å; V67-L70 WeakPolarHBondContact O-CB 3.33Å; V67-L70 PolarHBondContact O-N 3.16Å; V67-L70 VanDerWaalsContact O-N 3.16Å; V67-P94 HydrophobicContact CG1-CB 3.77Å; V67-P94 WeakPolarHBondContact CG1-O 3.29Å; V67-M97 HydrophobicContact CG2-CB 3.74Å
68	K	97.5	Very high	97.7	Very high	200 Å²	200	66.8 Å²	66.8	87%	0.87	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-69	-21.3	-177.8	-62.9	179.6	-178.9	177.8	0	113.8	S66 L70	S66-K68 PolarHBondContact O-N 3.15Å; S66-K68 VanDerWaalsContact O-N 3.17Å; K68-L70 VanDerWaalsContact C-N 3.3Å
69	E	98	Very high	97.4	Very high	98 Å²	98	66.9 Å²	66.9	46%	0.458	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-82.9	-11.5	176.8	-70.4	157	-123.7	0	0	112.3	P64 K65 S66 V67	P64-E69 HydrophobicContact CB-CB 4.16Å; K65-E69 PolarHBondContact N-OE2 2.92Å; S66-E69 PolarHBondContact N-OE1 3.36Å; S66-E69 VanDerWaalsContact N-OE1 3.15Å; S66-E69 PolarHBondContact O-N 2.97Å; S66-E69 PolarHBondContact OG-OE1 3.17Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.17Å
70	L	98.6	Very high	97.2	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.058	32%	0.321	C	S	.	.	S	Bend	trans	-78	129.1	178.8	-68.4	166.4	0	0	0	110.3	A41 L60 P64 V67 K68 P94 M97 V110	A41-L70 HydrophobicContact CB-CD2 4.5Å; L60-L70 HydrophobicContact CD1-CD2 3.86Å; P64-L70 HydrophobicContact CB-CD2 4.02Å; P64-L70 HydrophobicContact CB-CG 4.24Å; P64-L70 HydrophobicContact CG-CD2 3.74Å; P64-L70 HydrophobicContact CG-CG 4.39Å; V67-L70 WeakPolarHBondContact O-CB 3.33Å; V67-L70 PolarHBondContact O-N 3.16Å; V67-L70 VanDerWaalsContact O-N 3.16Å; K68-L70 VanDerWaalsContact C-N 3.3Å; L70-P94 HydrophobicContact CB-CB 3.89Å; L70-P94 HydrophobicContact CB-CG 3.67Å; L70-P94 HydrophobicContact CD1-CB 4.03Å; L70-M97 HydrophobicContact CD1-CB 4.22Å; L70-M97 HydrophobicContact CD1-CG 4.29Å; L70-M97 HydrophobicContact CD1-SD 3.81Å; L70-M97 HydrophobicContact CD2-SD 4.48Å; L70-M97 HydrophobicContact CG-SD 4.32Å; L70-V110 HydrophobicContact CD1-CB 4.23Å; L70-V110 HydrophobicContact CD1-CG1 3.59Å; L70-V110 HydrophobicContact CD1-CG2 3.58Å; L70-V110 HydrophobicContact CD2-CG2 3.99Å; L70-V110 HydrophobicContact CG-CG2 4.44Å
71	P	98.4	Very high	96.9	Very high	45 Å²	45	62.3 Å²	62.3	29%	0.292	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68.2	143.4	179	26.8	-34.3	0	0	0	111.5	Y43 R58 L60	Y43-P71 WeakPolarHBondContact CE1-O 3.46Å; Y43-P71 VanDerWaalsContact OH-CD 3.29Å; Y43-P71 WeakPolarHBondContact OH-CD 3.32Å; Y43-P71 PolarHBondContact OH-O 3.32Å; R58-P71 VanDerWaalsContact CZ-CG 3.49Å; L60-P71 HydrophobicContact CD2-CG 4.15Å
72	I	98.3	Very high	96.6	Very high	86 Å²	86	56.9 Å²	56.9	44%	0.441	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-58.8	140.4	162.4	-65.7	165.8	0	0	0	108	Y91 L92 Y93	I72-Y91 HydrophobicContact CG2-CD1 4Å; I72-L92 WeakPolarHBondContact CA-O 3.26Å; I72-Y93 HydrophobicContact CD1-CD1 3.87Å; I72-Y93 HydrophobicContact CD1-CE1 3.39Å; I72-Y93 HydrophobicContact CG1-CD1 4.04Å; I72-Y93 HydrophobicContact CG1-CE1 4.04Å; I72-Y93 HydrophobicContact CG1-CG 4.43Å; I72-Y93 HydrophobicContact CG2-CD2 4.41Å; I72-Y93 HydrophobicContact CG2-CE2 4.21Å
73	W	98.4	Very high	96.3	Very high	53 Å²	53	50.4 Å²	50.4	20%	0.201	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-172.5	177	-155.3	1.4	0	0	0	110.8	Y43 K56 T57 R58 Y91 L92	Y43-W73 HydrophobicContact CD1-CB 4.22Å; Y43-W73 HydrophobicContact CD1-CE3 4.07Å; Y43-W73 HydrophobicContact CD2-CE3 4.01Å; Y43-W73 HydrophobicContact CD2-CZ3 4.26Å; Y43-W73 HydrophobicContact CE1-CB 4.06Å; Y43-W73 HydrophobicContact CE1-CE3 4.41Å; Y43-W73 HydrophobicContact CE2-CE3 4.37Å; Y43-W73 AromaticContact CG-CE3 3.87Å; Y43-W73 HydrophobicContact CG-CE3 3.87Å; Y43-W73 HydrophobicContact CG-CZ3 4.36Å; K56-W73 HydrophobicContact CD-CH2 4.03Å; K56-W73 HydrophobicContact CD-CZ2 4.28Å; K56-W73 HydrophobicContact CD-CZ3 4.29Å; K56-W73 HydrophobicContact CG-CE3 4.46Å; K56-W73 HydrophobicContact CG-CH2 3.92Å; K56-W73 HydrophobicContact CG-CZ3 3.84Å; T57-W73 WeakPolarHBondContact O-CH2 3.39Å; R58-W73 HydrophobicContact CB-CE3 4.18Å; R58-W73 HydrophobicContact CB-CH2 3.46Å; R58-W73 VanDerWaalsContact CB-CH2 3.46Å; R58-W73 HydrophobicContact CB-CZ2 4.07Å; R58-W73 HydrophobicContact CB-CZ3 3.5Å; R58-W73 VanDerWaalsContact CB-CZ3 3.5Å; R58-W73 HydrophobicContact CG-CE3 4.08Å; R58-W73 HydrophobicContact CG-CH2 4.23Å; R58-W73 HydrophobicContact CG-CZ3 3.73Å; W73-Y91 CarbonylContact O-C 3.59Å; W73-Y91 WeakPolarHBondContact O-CA 3.41Å; W73-L92 HydrophobicContact CB-CB 4.36Å; W73-L92 PolarHBondContact N-O 3.47Å; W73-L92 PolarHBondContact O-N 2.95Å
74	N	98.3	Very high	95.9	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165	-179.7	70	-64	0	0	0	110.5	K56 V90	K56-N74 VanDerWaalsContact CE-O 3.23Å; K56-N74 WeakPolarHBondContact CE-O 3.41Å; K56-N74 PolarHBondContact NZ-O 3.26Å; N74-V90 CarbonylContact C-O 3.55Å; N74-V90 WeakPolarHBondContact CA-O 3.38Å; N74-V90 WeakPolarHBondContact CB-O 3.45Å
75	F	98.2	Very high	95.4	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	170.6	170.6	66.4	-79.6	0	0	0	110.4	W45 G77 T80 V90 L92 T114	W45-F75 AromaticContact CD1-CZ 3.79Å; W45-F75 HydrophobicContact CD2-CE1 4.49Å; W45-F75 AromaticContact CE2-CD2 3.97Å; W45-F75 AromaticContact CE2-CE2 3.96Å; W45-F75 AromaticContact CE2-CZ 3.98Å; W45-F75 HydrophobicContact CG-CE1 4.49Å; W45-F75 HydrophobicContact CH2-CB 4.39Å; W45-F75 HydrophobicContact CH2-CG 4.41Å; W45-F75 HydrophobicContact CZ2-CB 4.15Å; W45-F75 HydrophobicContact CZ2-CD1 4.21Å; W45-F75 AromaticContact CZ2-CD2 3.73Å; W45-F75 HydrophobicContact CZ2-CD2 3.73Å; W45-F75 HydrophobicContact CZ2-CE2 4.17Å; W45-F75 AromaticContact CZ2-CG 3.75Å; W45-F75 HydrophobicContact CZ2-CG 3.75Å; W45-F75 AromaticContact NE1-CD2 3.92Å; W45-F75 AromaticContact NE1-CE1 3.77Å; W45-F75 AromaticContact NE1-CE2 3.43Å; W45-F75 AromaticContact NE1-CZ 3.32Å; W45-F75 VanDerWaalsContact NE1-CZ 3.32Å; F75-G77 PolarHBondContact O-N 2.81Å; F75-T80 HydrophobicContact CD2-CG2 4.07Å; F75-T80 HydrophobicContact CE2-CG2 3.92Å; F75-T80 VanDerWaalsContact CE2-OG1 3.3Å; F75-T80 WeakPolarHBondContact CE2-OG1 3.43Å; F75-V90 HydrophobicContact CD1-CB 4.15Å; F75-V90 HydrophobicContact CD1-CG1 4.33Å; F75-V90 WeakPolarHBondContact CD1-O 3.42Å; F75-V90 HydrophobicContact CE1-CB 3.57Å; F75-V90 HydrophobicContact CE1-CG1 3.35Å; F75-V90 HydrophobicContact CE2-CB 4.04Å; F75-V90 HydrophobicContact CE2-CG1 4.34Å; F75-V90 HydrophobicContact CZ-CB 3.52Å; F75-V90 HydrophobicContact CZ-CG1 3.37Å; F75-V90 HydrophobicContact CZ-CG2 4.26Å; F75-V90 PolarHBondContact N-O 3.02Å; F75-V90 PolarHBondContact O-N 3.06Å; F75-L92 HydrophobicContact CD1-CD1 3.79Å; F75-L92 HydrophobicContact CD1-CD2 3.79Å; F75-L92 HydrophobicContact CD1-CG 3.59Å; F75-L92 HydrophobicContact CE1-CD1 4.47Å; F75-L92 HydrophobicContact CE1-CD2 3.61Å; F75-L92 HydrophobicContact CE1-CG 3.87Å; F75-T114 HydrophobicContact CE1-CG2 3.89Å; F75-T114 HydrophobicContact CZ-CG2 4Å
76	D	97.2	Very high	95.1	Very high	62 Å²	62	53 Å²	53	33%	0.332	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	100.7	173.3	170.3	19	0	0	0	110.5	S78 S79 S88	D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 3.48Å; D76-S78 VanDerWaalsContact OD1-CB 3.32Å; D76-S78 WeakPolarHBondContact OD1-CB 3.42Å; D76-S78 PolarHBondContact OD1-N 3.38Å; D76-S78 PolarHBondContact OD1-OG 2.96Å; D76-S78 PolarHBondContact OD2-OG 3.46Å; D76-S79 PolarHBondContact O-N 3.32Å; D76-S79 WeakPolarHBondContact OD2-CB 3.34Å; D76-S79 PolarHBondContact OD2-OG 3.28Å; D76-S88 VanDerWaalsContact OD1-CB 3.3Å; D76-S88 WeakPolarHBondContact OD1-CB 3.35Å
77	G	95	Very high	94.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-71.8	-14.9	178.2	0	0	0	0	0	114.8	F75 S79 T80 C81 Q82 A83 S88	F75-G77 PolarHBondContact O-N 2.81Å; G77-S79 PolarHBondContact O-N 3.03Å; G77-T80 WeakPolarHBondContact CA-OG1 3.23Å; G77-T80 PolarHBondContact O-N 3.09Å; G77-T80 PolarHBondContact O-OG1 3.45Å; G77-C81 PolarHBondContact O-N 2.85Å; G77-Q82 PolarHBondContact O-N 3Å; G77-A83 PolarHBondContact O-N 3.07Å; G77-S88 WeakPolarHBondContact CA-O 3.29Å; G77-S88 PolarHBondContact N-O 2.85Å
78	S	93.1	Very high	94.7	Very high	32 Å²	32	53.6 Å²	53.6	22%	0.224	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-70.3	-28.5	175.2	77.2	0	0	0	0	111.6	D76 T80 A83	D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 3.48Å; D76-S78 VanDerWaalsContact OD1-CB 3.32Å; D76-S78 WeakPolarHBondContact OD1-CB 3.42Å; D76-S78 PolarHBondContact OD1-N 3.38Å; D76-S78 PolarHBondContact OD1-OG 2.96Å; D76-S78 PolarHBondContact OD2-OG 3.46Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.33Å; S78-A83 WeakPolarHBondContact CA-O 3.37Å
79	S	94.3	Very high	94.6	Very high	77 Å²	77	48.1 Å²	48.1	54%	0.538	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-81.3	0.3	175.1	-67.1	0	0	0	0	114.3	D76 G77	D76-S79 PolarHBondContact O-N 3.32Å; D76-S79 WeakPolarHBondContact OD2-CB 3.34Å; D76-S79 PolarHBondContact OD2-OG 3.28Å; G77-S79 PolarHBondContact O-N 3.03Å
80	T	93.7	Very high	94.6	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.037	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-136.5	18.1	-174.5	70.6	0	0	0	0	113.4	G48 R54 F75 G77 S78 Q82	G48-T80 WeakPolarHBondContact CA-O 3.27Å; G48-T80 PolarHBondContact N-O 3.1Å; R54-T80 HydrophobicContact CG-CG2 4.34Å; F75-T80 HydrophobicContact CD2-CG2 4.07Å; F75-T80 HydrophobicContact CE2-CG2 3.92Å; F75-T80 VanDerWaalsContact CE2-OG1 3.3Å; F75-T80 WeakPolarHBondContact CE2-OG1 3.43Å; G77-T80 WeakPolarHBondContact CA-OG1 3.23Å; G77-T80 PolarHBondContact O-N 3.09Å; G77-T80 PolarHBondContact O-OG1 3.45Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.33Å; T80-Q82 VanDerWaalsContact C-N 3.3Å; T80-Q82 PolarHBondContact O-N 3.33Å; T80-Q82 PolarHBondContact OG1-OE1 3.41Å
81	C	91.3	Very high	94.5	Very high	12 Å²	12	46.6 Å²	46.6	8%	0.081	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	26.8	179.3	-57.6	0	0	0	0	114.8	G77 C125 T128 C129	G77-C81 PolarHBondContact O-N 2.85Å; C81-C125 PolarHBondContact O-N 2.81Å; C81-T128 WeakPolarHBondContact CA-OG1 3.34Å; C81-C129 WeakPolarHBondContact CB-SG 3.28Å; C81-C129 VanDerWaalsContact SG-SG 3.61Å
82	Q	92.4	Very high	94.6	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.037	26%	0.26	C	S	.	.	S	Bend	trans	-120.1	-15.4	-174.1	-72.3	170.2	-65.8	0	0	114	I46 G77 T80 V90 T114	I46-Q82 PolarHBondContact O-NE2 2.79Å; I46-Q82 VanDerWaalsContact O-NE2 3.15Å; G77-Q82 PolarHBondContact O-N 3Å; T80-Q82 VanDerWaalsContact C-N 3.3Å; T80-Q82 PolarHBondContact O-N 3.33Å; T80-Q82 PolarHBondContact OG1-OE1 3.41Å; Q82-V90 HydrophobicContact CB-CG2 4.26Å; Q82-T114 PolarHBondContact NE2-OG1 2.6Å
83	A	90.8	Very high	94.6	Very high	11 Å²	11	43.5 Å²	43.5	9%	0.091	25%	0.251	C	S	.	.	S	Bend	trans	-146.5	166.7	177.8	0	0	0	0	0	111.7	G77 S78 S88 V90 T128	G77-A83 PolarHBondContact O-N 3.07Å; S78-A83 WeakPolarHBondContact CA-O 3.37Å; A83-S88 WeakPolarHBondContact CB-O 3.23Å; A83-V90 HydrophobicContact CB-CG2 4Å; A83-T128 WeakPolarHBondContact O-CG2 3.4Å; A83-T128 PolarHBondContact O-OG1 2.96Å
84	E	89.4	Confident	94.6	Very high	93 Å²	93	42 Å²	42	44%	0.435	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-88.3	153.2	170.9	-67.1	176	-156.6	0	0	110	S86 N87 S88 L127	E84-S86 PolarHBondContact O-N 2.86Å; E84-N87 CarbonylContact O-C 3.4Å; E84-N87 PolarHBondContact O-N 2.92Å; E84-N87 VanDerWaalsContact O-N 3.14Å; E84-S88 VanDerWaalsContact O-CA 3.31Å; E84-S88 WeakPolarHBondContact O-CA 3.48Å; E84-S88 PolarHBondContact O-N 3.34Å; E84-L127 HydrophobicContact CG-CB 4.39Å; E84-L127 HydrophobicContact CG-CD1 3.98Å; E84-L127 VanDerWaalsContact OE1-CD1 3.26Å; E84-L127 WeakPolarHBondContact OE1-CD1 3.42Å
85	G	88.5	Confident	94.6	Very high	57 Å²	57	41 Å²	41	59%	0.588	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.9	-178.5	0	0	0	0	0	114.7	N87	G85-N87 VanDerWaalsContact C-N 3.33Å
86	S	90.4	Very high	94.6	Very high	110 Å²	110	41.1 Å²	41.1	77%	0.769	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.8	178.2	54.5	0	0	0	0	113.9	E84	E84-S86 PolarHBondContact O-N 2.86Å
87	N	92.1	Very high	94.7	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-153.1	74.5	177.9	-175	7	0	0	0	109.1	E84 G85 Y117	E84-N87 CarbonylContact O-C 3.4Å; E84-N87 PolarHBondContact O-N 2.92Å; E84-N87 VanDerWaalsContact O-N 3.14Å; G85-N87 VanDerWaalsContact C-N 3.33Å; N87-Y117 WeakPolarHBondContact ND2-CD1 3.07Å; N87-Y117 WeakPolarHBondContact ND2-CE1 3.34Å
88	S	94	Very high	94.9	Very high	30 Å²	30	41.1 Å²	41.1	21%	0.21	25%	0.245	C	C	.	.			trans	-92.1	-17.6	-161.9	56.8	0	0	0	0	115	D76 G77 A83 E84 V90	D76-S88 VanDerWaalsContact OD1-CB 3.3Å; D76-S88 WeakPolarHBondContact OD1-CB 3.35Å; G77-S88 WeakPolarHBondContact CA-O 3.29Å; G77-S88 PolarHBondContact N-O 2.85Å; A83-S88 WeakPolarHBondContact CB-O 3.23Å; E84-S88 VanDerWaalsContact O-CA 3.31Å; E84-S88 WeakPolarHBondContact O-CA 3.48Å; E84-S88 PolarHBondContact O-N 3.34Å; S88-V90 PolarHBondContact O-N 3.02Å
89	D	96.1	Very high	95.2	Very high	85 Å²	85	43.8 Å²	43.8	46%	0.455	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.1	-172.4	-82.1	-1.2	0	0	0	112
90	V	97.4	Very high	95.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.9	173.8	177.5	0	0	0	0	108.7	N74 F75 Q82 A83 S88 T114 Y115 T122	N74-V90 CarbonylContact C-O 3.55Å; N74-V90 WeakPolarHBondContact CA-O 3.38Å; N74-V90 WeakPolarHBondContact CB-O 3.45Å; F75-V90 HydrophobicContact CD1-CB 4.15Å; F75-V90 HydrophobicContact CD1-CG1 4.33Å; F75-V90 WeakPolarHBondContact CD1-O 3.42Å; F75-V90 HydrophobicContact CE1-CB 3.57Å; F75-V90 HydrophobicContact CE1-CG1 3.35Å; F75-V90 HydrophobicContact CE2-CB 4.04Å; F75-V90 HydrophobicContact CE2-CG1 4.34Å; F75-V90 HydrophobicContact CZ-CB 3.52Å; F75-V90 HydrophobicContact CZ-CG1 3.37Å; F75-V90 HydrophobicContact CZ-CG2 4.26Å; F75-V90 PolarHBondContact N-O 3.02Å; F75-V90 PolarHBondContact O-N 3.06Å; Q82-V90 HydrophobicContact CB-CG2 4.26Å; A83-V90 HydrophobicContact CB-CG2 4Å; S88-V90 PolarHBondContact O-N 3.02Å; V90-T114 HydrophobicContact CG1-CG2 4.44Å; V90-Y115 CarbonylContact C-O 3.55Å; V90-Y115 WeakPolarHBondContact CG1-O 3.43Å; V90-T122 HydrophobicContact CG1-CG2 3.59Å; V90-T122 HydrophobicContact CG2-CG2 4.46Å
91	Y	98.3	Very high	95.6	Very high	75 Å²	75	41 Å²	41	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145.5	178.2	-66.9	-79.2	0	0	0	112.1	I72 W73 Y93 T114 Y115 K116 K119	I72-Y91 HydrophobicContact CG2-CD1 4Å; W73-Y91 CarbonylContact O-C 3.59Å; W73-Y91 WeakPolarHBondContact O-CA 3.41Å; Y91-Y93 HydrophobicContact CG-CE2 4.24Å; Y91-T114 WeakPolarHBondContact O-CA 3.39Å; Y91-Y115 PolarHBondContact N-O 2.89Å; Y91-Y115 PolarHBondContact O-N 2.94Å; Y91-K116 WeakPolarHBondContact CD2-O 3.16Å; Y91-K119 HydrophobicContact CD2-CD 3.96Å; Y91-K119 VanDerWaalsContact CD2-NZ 3.3Å; Y91-K119 HydrophobicContact CE2-CD 3.9Å
92	L	98.7	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.4	171.2	-67.8	166.6	0	0	0	109.2	Y43 W45 I72 W73 F75 C112 E113 T114	Y43-L92 HydrophobicContact CD1-CB 4.24Å; Y43-L92 HydrophobicContact CD1-CD1 4.41Å; W45-L92 HydrophobicContact CB-CD2 3.65Å; W45-L92 HydrophobicContact CD2-CD1 4.47Å; W45-L92 HydrophobicContact CD2-CD2 3.74Å; W45-L92 HydrophobicContact CE3-CD1 4.01Å; W45-L92 HydrophobicContact CE3-CD2 3.93Å; W45-L92 HydrophobicContact CG-CD2 3.65Å; W45-L92 HydrophobicContact CZ3-CD1 4.18Å; I72-L92 WeakPolarHBondContact CA-O 3.26Å; W73-L92 HydrophobicContact CB-CB 4.36Å; W73-L92 PolarHBondContact N-O 3.47Å; W73-L92 PolarHBondContact O-N 2.95Å; F75-L92 HydrophobicContact CD1-CD1 3.79Å; F75-L92 HydrophobicContact CD1-CD2 3.79Å; F75-L92 HydrophobicContact CD1-CG 3.59Å; F75-L92 HydrophobicContact CE1-CD1 4.47Å; F75-L92 HydrophobicContact CE1-CD2 3.61Å; F75-L92 HydrophobicContact CE1-CG 3.87Å; L92-C112 HydrophobicContact CB-CB 4.02Å; L92-C112 HydrophobicContact CD2-CB 3.78Å; L92-C112 HydrophobicContact CG-CB 4.48Å; L92-E113 WeakPolarHBondContact CA-O 3.46Å; L92-T114 HydrophobicContact CD2-CG2 3.94Å
93	Y	98.5	Very high	96.2	Very high	65 Å²	65	44 Å²	44	26%	0.255	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.1	175.7	-79.2	-107.3	0	0	0	109	I72 Y91 V95 C112 E113 Y115 K119	I72-Y93 HydrophobicContact CD1-CD1 3.87Å; I72-Y93 HydrophobicContact CD1-CE1 3.39Å; I72-Y93 HydrophobicContact CG1-CD1 4.04Å; I72-Y93 HydrophobicContact CG1-CE1 4.04Å; I72-Y93 HydrophobicContact CG1-CG 4.43Å; I72-Y93 HydrophobicContact CG2-CD2 4.41Å; I72-Y93 HydrophobicContact CG2-CE2 4.21Å; Y91-Y93 HydrophobicContact CG-CE2 4.24Å; Y93-V95 PolarHBondContact O-N 2.82Å; Y93-C112 CarbonylContact O-C 3.59Å; Y93-C112 WeakPolarHBondContact O-CA 3.48Å; Y93-E113 PolarHBondContact N-O 3.21Å; Y93-E113 PolarHBondContact O-N 2.89Å; Y93-Y115 AromaticContact CD2-CD2 3.32Å; Y93-Y115 HydrophobicContact CD2-CD2 3.32Å; Y93-Y115 AromaticContact CD2-CE2 3.93Å; Y93-Y115 HydrophobicContact CD2-CE2 3.93Å; Y93-Y115 AromaticContact CD2-CG 3.99Å; Y93-Y115 HydrophobicContact CD2-CG 3.99Å; Y93-Y115 AromaticContact CE2-CD2 3.85Å; Y93-Y115 HydrophobicContact CE2-CD2 3.85Å; Y93-Y115 HydrophobicContact CE2-CG 4.05Å; Y93-Y115 AromaticContact CG-CD2 3.85Å; Y93-Y115 HydrophobicContact CG-CD2 3.85Å; Y93-Y115 AromaticContact CG-CE2 3.97Å; Y93-Y115 HydrophobicContact CG-CE2 3.97Å; Y93-K119 PolarHBondContact OH-NZ 3.31Å
94	P	98.8	Very high	96.5	Very high	23 Å²	23	49.6 Å²	49.6	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.9	175.6	-26.2	36.4	0	0	0	111.9	Y43 V67 L70 V110	Y43-P94 HydrophobicContact CE1-CG 3.78Å; V67-P94 HydrophobicContact CG1-CB 3.77Å; V67-P94 WeakPolarHBondContact CG1-O 3.29Å; L70-P94 HydrophobicContact CB-CB 3.89Å; L70-P94 HydrophobicContact CB-CG 3.67Å; L70-P94 HydrophobicContact CD1-CB 4.03Å; P94-V110 HydrophobicContact CB-CG1 3.71Å; P94-V110 HydrophobicContact CG-CG1 4.16Å
95	V	98.6	Very high	96.9	Very high	35 Å²	35	48.7 Å²	48.7	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-29.3	-179.3	-67.2	0	0	0	0	114	Y93 L111 E113	Y93-V95 PolarHBondContact O-N 2.82Å; V95-L111 HydrophobicContact CG2-CB 4.31Å; V95-L111 HydrophobicContact CG2-CD2 4.33Å; V95-L111 HydrophobicContact CG2-CG 4Å; V95-L111 VanDerWaalsContact CG2-O 3.32Å; V95-L111 WeakPolarHBondContact CG2-O 3.05Å; V95-L111 PolarHBondContact N-O 2.97Å; V95-E113 HydrophobicContact CG1-CB 4.2Å; V95-E113 HydrophobicContact CG1-CG 3.79Å; V95-E113 HydrophobicContact CG2-CG 4.46Å
96	A	98.6	Very high	97.3	Very high	12 Å²	12	48.4 Å²	48.4	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.7	172.2	0	0	0	0	0	110.6	F98 V110 L111 D247	A96-F98 HydrophobicContact CB-CE2 3.66Å; A96-F98 HydrophobicContact CB-CZ 4.16Å; A96-V110 CarbonylContact O-C 3.51Å; A96-V110 WeakPolarHBondContact O-CA 3.14Å; A96-L111 HydrophobicContact CB-CB 4.12Å; A96-L111 HydrophobicContact CB-CD2 4.4Å; A96-L111 PolarHBondContact N-O 3.1Å; A96-L111 PolarHBondContact O-N 2.67Å; A96-D247 HydrophobicContact CB-CB 4.37Å
97	M	98.7	Very high	97.7	Very high	46 Å²	46	43.1 Å²	43.1	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.2	-177.9	-179.9	174.1	66.2	0	0	110.2	P64 V67 L70 K108 L109	P64-M97 HydrophobicContact CB-SD 4.16Å; P64-M97 HydrophobicContact CG-SD 3.69Å; V67-M97 HydrophobicContact CG2-CB 3.74Å; L70-M97 HydrophobicContact CD1-CB 4.22Å; L70-M97 HydrophobicContact CD1-CG 4.29Å; L70-M97 HydrophobicContact CD1-SD 3.81Å; L70-M97 HydrophobicContact CD2-SD 4.48Å; L70-M97 HydrophobicContact CG-SD 4.32Å; M97-K108 HydrophobicContact CG-CB 4.13Å; M97-K108 HydrophobicContact CG-CD 4.19Å; M97-K108 HydrophobicContact CG-CG 4.28Å; M97-K108 HydrophobicContact SD-CB 4.27Å; M97-K108 HydrophobicContact SD-CD 4.03Å; M97-K108 HydrophobicContact SD-CG 3.91Å; M97-L109 WeakPolarHBondContact CA-O 3.44Å
98	F	98.8	Very high	98	Very high	16 Å²	16	40.7 Å²	40.7	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	159.6	-178.4	-59.4	-89.6	0	0	0	109.9	A96 K108 L109 A217 I219 H248 M251	A96-F98 HydrophobicContact CB-CE2 3.66Å; A96-F98 HydrophobicContact CB-CZ 4.16Å; F98-K108 WeakPolarHBondContact O-CA 3.29Å; F98-L109 HydrophobicContact CB-CB 4.39Å; F98-L109 PolarHBondContact N-O 3Å; F98-L109 PolarHBondContact O-N 2.93Å; F98-A217 HydrophobicContact CB-CB 4.46Å; F98-I219 HydrophobicContact CD1-CG1 3.75Å; F98-I219 HydrophobicContact CE1-CG1 3.81Å; F98-H248 AromaticContact CE1-CE1 3.94Å; F98-H248 AromaticContact CE1-NE2 3.78Å; F98-M251 HydrophobicContact CD2-CB 4.35Å; F98-M251 HydrophobicContact CD2-CE 4.38Å; F98-M251 HydrophobicContact CD2-CG 3.85Å; F98-M251 HydrophobicContact CE2-CB 4.14Å; F98-M251 HydrophobicContact CE2-CG 3.55Å; F98-M251 HydrophobicContact CZ-CG 4.31Å
99	R	98.8	Very high	98.2	Very high	87 Å²	87	39.2 Å²	39.2	33%	0.328	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.9	169.8	-63.2	167.5	66.3	-151.5	14.7	108.9	P101 D105 Y216 A217	R99-P101 VanDerWaalsContact O-CD 3.29Å; R99-P101 WeakPolarHBondContact O-CD 3.4Å; R99-D105 IonicContact CZ-OD1 3.02Å; R99-D105 IonicContact CZ-OD2 3.99Å; R99-D105 VanDerWaalsContact CZ-OD2 3.24Å; R99-D105 VanDerWaalsContact NE-CG 3.34Å; R99-D105 IonicContact NE-OD1 3.37Å; R99-D105 PolarHBondContact NE-OD1 3.06Å; R99-D105 IonicContact NE-OD2 2.77Å; R99-D105 PolarHBondContact NE-OD2 3.44Å; R99-D105 IonicContact NH2-OD1 3.24Å; R99-D105 IonicContact NH2-OD2 2.77Å; R99-D105 PolarHBondContact NH2-OD2 3.07Å; R99-Y216 HydrophobicContact CB-CD1 4.16Å; R99-Y216 HydrophobicContact CB-CE1 3.84Å; R99-Y216 VanDerWaalsContact CZ-CZ 3.47Å; R99-Y216 PolarHBondContact NH1-O 3.19Å; R99-Y216 PolarHBondContact NH2-OH 3.38Å; R99-A217 PolarHBondContact N-O 2.78Å; R99-A217 WeakPolarHBondContact O-CA 3.43Å; R99-A217 WeakPolarHBondContact O-CB 2.97Å
100	D	98.8	Very high	98.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	17%	0.167	C	C	.	.			trans	-84.2	112.8	178.2	-168.7	-37.6	0	0	0	110.5	F102 L103 Q104 N107 L109 Y216	D100-F102 VanDerWaalsContact C-N 3.27Å; D100-F102 PolarHBondContact O-N 3.17Å; D100-F102 WeakPolarHBondContact OD1-CA 3.3Å; D100-F102 WeakPolarHBondContact OD1-CB 3.29Å; D100-F102 WeakPolarHBondContact OD1-CD2 3.46Å; D100-F102 PolarHBondContact OD1-N 2.88Å; D100-L103 HydrophobicContact CB-CB 4.31Å; D100-L103 PolarHBondContact OD1-N 2.89Å; D100-Q104 WeakPolarHBondContact O-CA 3.35Å; D100-Q104 PolarHBondContact O-N 2.89Å; D100-N107 HydrophobicContact CB-CB 4.02Å; D100-N107 PolarHBondContact N-O 2.84Å; D100-N107 VanDerWaalsContact N-O 3.12Å; D100-L109 HydrophobicContact CB-CD2 4.27Å; D100-L109 HydrophobicContact CB-CG 4.13Å; D100-L109 WeakPolarHBondContact OD2-CD2 3.32Å; D100-Y216 WeakPolarHBondContact O-CE1 3.39Å
101	P	98.7	Very high	98.4	Very high	23 Å²	23	35.1 Å²	35.1	15%	0.149	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.4	179.9	32.4	-35	0	0	0	113.3	R99 A213 Y216 I255	R99-P101 VanDerWaalsContact O-CD 3.29Å; R99-P101 WeakPolarHBondContact O-CD 3.4Å; P101-A213 HydrophobicContact CB-CB 3.7Å; P101-A213 HydrophobicContact CG-CB 3.91Å; P101-Y216 HydrophobicContact CB-CD1 3.99Å; P101-I255 HydrophobicContact CG-CD1 4.19Å; P101-I255 HydrophobicContact CG-CG1 4.36Å; P101-I255 HydrophobicContact CG-CG2 4.34Å
102	F	98.2	Very high	98.5	Very high	38 Å²	38	31.9 Å²	31.9	17%	0.167	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-37.2	-178.7	-49.2	-73	0	0	0	111.6	D100 Y254 I255 R258 V259	D100-F102 VanDerWaalsContact C-N 3.27Å; D100-F102 PolarHBondContact O-N 3.17Å; D100-F102 WeakPolarHBondContact OD1-CA 3.3Å; D100-F102 WeakPolarHBondContact OD1-CB 3.29Å; D100-F102 WeakPolarHBondContact OD1-CD2 3.46Å; D100-F102 PolarHBondContact OD1-N 2.88Å; F102-Y254 HydrophobicContact CE2-CE1 4.37Å; F102-I255 HydrophobicContact CE2-CG1 4.08Å; F102-I255 HydrophobicContact CE2-CG2 4.44Å; F102-I255 HydrophobicContact CZ-CB 4.19Å; F102-I255 HydrophobicContact CZ-CG1 4.24Å; F102-I255 HydrophobicContact CZ-CG2 3.81Å; F102-R258 HydrophobicContact CE1-CB 3.7Å; F102-R258 HydrophobicContact CE2-CB 3.73Å; F102-R258 HydrophobicContact CE2-CG 4.15Å; F102-R258 HydrophobicContact CZ-CB 3.25Å; F102-R258 HydrophobicContact CZ-CG 4.17Å; F102-V259 HydrophobicContact CE1-CG2 3.83Å; F102-V259 HydrophobicContact CZ-CG2 4.23Å
103	L	97.6	Very high	98.4	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.23	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-6	180	-58.8	178.8	0	0	0	113.2	L31 Q40 D100 N107	L31-L103 HydrophobicContact CD2-CD2 4.02Å; Q40-L103 HydrophobicContact CB-CD1 4.03Å; D100-L103 HydrophobicContact CB-CB 4.31Å; D100-L103 PolarHBondContact OD1-N 2.89Å; L103-N107 HydrophobicContact CB-CB 3.78Å; L103-N107 PolarHBondContact O-ND2 3.4Å
104	Q	97.3	Very high	98.4	Very high	129 Å²	129	29.4 Å²	29.4	60%	0.603	15%	0.145	S	C	*	.			trans	59.1	-179.7	-178.4	-56.3	179.9	19.7	0	0	113.5	D100 N107	D100-Q104 WeakPolarHBondContact O-CA 3.35Å; D100-Q104 PolarHBondContact O-N 2.89Å; Q104-N107 WeakPolarHBondContact O-CA 3.46Å; Q104-N107 WeakPolarHBondContact O-CB 3.32Å; Q104-N107 PolarHBondContact O-N 3.06Å; Q104-N107 PolarHBondContact O-ND2 2.79Å; Q104-N107 VanDerWaalsContact O-ND2 3.15Å
105	D	97.3	Very high	98.3	Very high	74 Å²	74	29.9 Å²	29.9	40%	0.396	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	141.6	175.9	-71.5	-16.3	0	0	0	109.6	R99 Y216	R99-D105 IonicContact CZ-OD1 3.02Å; R99-D105 IonicContact CZ-OD2 3.99Å; R99-D105 VanDerWaalsContact CZ-OD2 3.24Å; R99-D105 VanDerWaalsContact NE-CG 3.34Å; R99-D105 IonicContact NE-OD1 3.37Å; R99-D105 PolarHBondContact NE-OD1 3.06Å; R99-D105 IonicContact NE-OD2 2.77Å; R99-D105 PolarHBondContact NE-OD2 3.44Å; R99-D105 IonicContact NH2-OD1 3.24Å; R99-D105 IonicContact NH2-OD2 2.77Å; R99-D105 PolarHBondContact NH2-OD2 3.07Å; D105-Y216 PolarHBondContact N-OH 3.41Å; D105-Y216 PolarHBondContact OD1-OH 3.02Å; D105-Y216 PolarHBondContact OD2-OH 2.79Å
106	K	97.4	Very high	98.1	Very high	50 Å²	50	32 Å²	32	22%	0.217	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.6	15.8	12.5	50.9	-179.7	177.8	179.1	0	115	G36 D37 K38 V39 E63 K108	G36-K106 WeakPolarHBondContact O-CE 3.42Å; D37-K106 VanDerWaalsContact C-NZ 3.26Å; D37-K106 VanDerWaalsContact CA-NZ 3.34Å; D37-K106 WeakPolarHBondContact O-CE 3.48Å; D37-K106 PolarHBondContact O-NZ 2.68Å; K38-K106 WeakPolarHBondContact O-CE 3.41Å; V39-K106 HydrophobicContact CG1-CG 4.5Å; V39-K106 VanDerWaalsContact CG1-O 3.23Å; V39-K106 WeakPolarHBondContact CG1-O 3.44Å; V39-K106 HydrophobicContact CG2-CD 3.56Å; V39-K106 HydrophobicContact CG2-CG 3.74Å; E63-K106 HydrophobicContact CB-CB 4.32Å; E63-K106 HydrophobicContact CB-CD 4.2Å; E63-K106 HydrophobicContact CG-CB 4.02Å; K106-K108 VanDerWaalsContact O-CE 3.26Å; K106-K108 WeakPolarHBondContact O-CE 3.39Å
107	N	98.8	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.172	C	C	.	.			trans	-74.3	155.8	-174.1	-52.2	-58.7	0	0	0	112.7	Q35 Q40 D100 L103 Q104	Q35-N107 PolarHBondContact NE2-OD1 2.85Å; Q35-N107 PolarHBondContact OE1-ND2 2.96Å; Q35-N107 PolarHBondContact OE1-OD1 2.9Å; Q40-N107 HydrophobicContact CB-CB 4.26Å; Q40-N107 WeakPolarHBondContact CB-OD1 3.46Å; Q40-N107 PolarHBondContact N-OD1 2.7Å; Q40-N107 WeakPolarHBondContact O-CA 3.44Å; Q40-N107 WeakPolarHBondContact O-CB 3.46Å; D100-N107 HydrophobicContact CB-CB 4.02Å; D100-N107 PolarHBondContact N-O 2.84Å; D100-N107 VanDerWaalsContact N-O 3.12Å; L103-N107 HydrophobicContact CB-CB 3.78Å; L103-N107 PolarHBondContact O-ND2 3.4Å; Q104-N107 WeakPolarHBondContact O-CA 3.46Å; Q104-N107 WeakPolarHBondContact O-CB 3.32Å; Q104-N107 PolarHBondContact O-N 3.06Å; Q104-N107 PolarHBondContact O-ND2 2.79Å; Q104-N107 VanDerWaalsContact O-ND2 3.15Å
108	K	98.8	Very high	97.6	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.4	-169.9	-53.3	-62.4	173.1	-159.6	0	112.5	Q40 A41 T42 E63 P64 M97 F98 K106 V110	Q40-K108 PolarHBondContact O-N 2.87Å; A41-K108 WeakPolarHBondContact CA-O 3.37Å; T42-K108 PolarHBondContact N-O 3.38Å; E63-K108 WeakPolarHBondContact OE1-CE 3.4Å; E63-K108 IonicContact OE1-NZ 3.02Å; E63-K108 PolarHBondContact OE1-NZ 2.86Å; P64-K108 HydrophobicContact CG-CG 4.03Å; M97-K108 HydrophobicContact CG-CB 4.13Å; M97-K108 HydrophobicContact CG-CD 4.19Å; M97-K108 HydrophobicContact CG-CG 4.28Å; M97-K108 HydrophobicContact SD-CB 4.27Å; M97-K108 HydrophobicContact SD-CD 4.03Å; M97-K108 HydrophobicContact SD-CG 3.91Å; F98-K108 WeakPolarHBondContact O-CA 3.29Å; K106-K108 VanDerWaalsContact O-CE 3.26Å; K106-K108 WeakPolarHBondContact O-CE 3.39Å; K108-V110 HydrophobicContact CB-CG2 4.38Å
109	L	98.9	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.9	158.1	-59.9	-179.1	0	0	0	109	T42 M97 F98 D100 M251 Y254 I255	T42-L109 HydrophobicContact CG2-CD2 4.14Å; M97-L109 WeakPolarHBondContact CA-O 3.44Å; F98-L109 HydrophobicContact CB-CB 4.39Å; F98-L109 PolarHBondContact N-O 3Å; F98-L109 PolarHBondContact O-N 2.93Å; D100-L109 HydrophobicContact CB-CD2 4.27Å; D100-L109 HydrophobicContact CB-CG 4.13Å; D100-L109 WeakPolarHBondContact OD2-CD2 3.32Å; L109-M251 HydrophobicContact CB-CE 3.59Å; L109-M251 HydrophobicContact CD1-CE 3.75Å; L109-M251 HydrophobicContact CG-CE 4.26Å; L109-Y254 HydrophobicContact CD1-CD1 4.1Å; L109-Y254 HydrophobicContact CD1-CE1 4.02Å; L109-Y254 HydrophobicContact CD2-CE1 3.89Å; L109-I255 HydrophobicContact CD1-CD1 4.02Å; L109-I255 HydrophobicContact CD1-CG1 3.95Å
110	V	98.9	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	106.2	-174.9	-178.4	0	0	0	0	109.3	A41 T42 Y43 V44 L70 P94 A96 K108	A41-V110 HydrophobicContact CB-CG2 4.38Å; T42-V110 PolarHBondContact O-N 3.12Å; Y43-V110 CarbonylContact C-O 3.57Å; Y43-V110 WeakPolarHBondContact CA-O 3.4Å; Y43-V110 HydrophobicContact CD1-CG1 4.42Å; Y43-V110 HydrophobicContact CD2-CB 4.04Å; Y43-V110 HydrophobicContact CD2-CG1 4.43Å; Y43-V110 HydrophobicContact CD2-CG2 4.23Å; Y43-V110 HydrophobicContact CE1-CG1 4.38Å; Y43-V110 HydrophobicContact CE2-CB 4.24Å; Y43-V110 HydrophobicContact CE2-CG1 4.37Å; Y43-V110 HydrophobicContact CE2-CG2 4.11Å; Y43-V110 HydrophobicContact CG-CB 4.29Å; Y43-V110 HydrophobicContact CG-CG1 4.44Å; V44-V110 PolarHBondContact N-O 3.15Å; L70-V110 HydrophobicContact CD1-CB 4.23Å; L70-V110 HydrophobicContact CD1-CG1 3.59Å; L70-V110 HydrophobicContact CD1-CG2 3.58Å; L70-V110 HydrophobicContact CD2-CG2 3.99Å; L70-V110 HydrophobicContact CG-CG2 4.44Å; P94-V110 HydrophobicContact CB-CG1 3.71Å; P94-V110 HydrophobicContact CG-CG1 4.16Å; A96-V110 CarbonylContact O-C 3.51Å; A96-V110 WeakPolarHBondContact O-CA 3.14Å; K108-V110 HydrophobicContact CB-CG2 4.38Å
111	L	98.9	Very high	96.9	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	134.9	171	-176.7	61.5	0	0	0	109.3	V95 A96 D247 M251 Y380	V95-L111 HydrophobicContact CG2-CB 4.31Å; V95-L111 HydrophobicContact CG2-CD2 4.33Å; V95-L111 HydrophobicContact CG2-CG 4Å; V95-L111 VanDerWaalsContact CG2-O 3.32Å; V95-L111 WeakPolarHBondContact CG2-O 3.05Å; V95-L111 PolarHBondContact N-O 2.97Å; A96-L111 HydrophobicContact CB-CB 4.12Å; A96-L111 HydrophobicContact CB-CD2 4.4Å; A96-L111 PolarHBondContact N-O 3.1Å; A96-L111 PolarHBondContact O-N 2.67Å; L111-D247 HydrophobicContact CD2-CB 3.78Å; L111-M251 HydrophobicContact CB-CG 4.04Å; L111-M251 HydrophobicContact CB-SD 3.8Å; L111-M251 HydrophobicContact CD1-CG 4.4Å; L111-M251 HydrophobicContact CD1-SD 3.92Å; L111-M251 HydrophobicContact CD2-CG 4.2Å; L111-M251 HydrophobicContact CG-CG 4.46Å; L111-M251 HydrophobicContact CG-SD 4.34Å; L111-Y380 WeakPolarHBondContact CD2-OH 3.46Å
112	C	98.8	Very high	96.5	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.3	-177.2	-62.1	0	0	0	0	112.7	Y43 V44 W45 L92 Y93	Y43-C112 WeakPolarHBondContact CD1-SG 3.31Å; V44-C112 PolarHBondContact O-N 3.26Å; W45-C112 HydrophobicContact CB-CB 4.47Å; L92-C112 HydrophobicContact CB-CB 4.02Å; L92-C112 HydrophobicContact CD2-CB 3.78Å; L92-C112 HydrophobicContact CG-CB 4.48Å; Y93-C112 CarbonylContact O-C 3.59Å; Y93-C112 WeakPolarHBondContact O-CA 3.48Å
113	E	97.9	Very high	95.8	Very high	10 Å²	10	43 Å²	43	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.4	158.6	-79.6	-171.8	-155.4	0	0	111.6	L92 Y93 V95 Y115 N143 R145	L92-E113 WeakPolarHBondContact CA-O 3.46Å; Y93-E113 PolarHBondContact N-O 3.21Å; Y93-E113 PolarHBondContact O-N 2.89Å; V95-E113 HydrophobicContact CG1-CB 4.2Å; V95-E113 HydrophobicContact CG1-CG 3.79Å; V95-E113 HydrophobicContact CG2-CG 4.46Å; E113-Y115 HydrophobicContact CB-CD2 4.19Å; E113-Y115 HydrophobicContact CB-CE2 3.66Å; E113-Y115 WeakPolarHBondContact OE2-CE2 3.42Å; E113-Y115 PolarHBondContact OE2-OH 3.28Å; E113-N143 PolarHBondContact OE2-ND2 2.98Å; E113-R145 HydrophobicContact CG-CB 3.98Å; E113-R145 HydrophobicContact CG-CG 4.16Å; E113-R145 VanDerWaalsContact OE1-CD 3.25Å; E113-R145 WeakPolarHBondContact OE1-CD 3.42Å; E113-R145 VanDerWaalsContact OE1-CG 3.23Å; E113-R145 WeakPolarHBondContact OE1-CG 3.39Å; E113-R145 IonicContact OE1-CZ 2.75Å; E113-R145 IonicContact OE1-NE 2.7Å; E113-R145 IonicContact OE1-NH1 3.23Å; E113-R145 PolarHBondContact OE1-NH1 2.9Å
114	T	97.7	Very high	94.7	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.1	179.5	51.2	0	0	0	0	111.5	W45 F75 Q82 V90 Y91 L92 T122 N143	W45-T114 HydrophobicContact CB-CG2 3.86Å; W45-T114 HydrophobicContact CG-CG2 3.97Å; F75-T114 HydrophobicContact CE1-CG2 3.89Å; F75-T114 HydrophobicContact CZ-CG2 4Å; Q82-T114 PolarHBondContact NE2-OG1 2.6Å; V90-T114 HydrophobicContact CG1-CG2 4.44Å; Y91-T114 WeakPolarHBondContact O-CA 3.39Å; L92-T114 HydrophobicContact CD2-CG2 3.94Å; T114-T122 WeakPolarHBondContact CB-OG1 3.32Å; T114-T122 PolarHBondContact O-N 3.5Å; T114-T122 VanDerWaalsContact O-N 3.15Å; T114-T122 PolarHBondContact O-OG1 3.32Å; T114-T122 PolarHBondContact OG1-OG1 3.02Å; T114-N143 WeakPolarHBondContact O-CB 3.32Å; T114-N143 PolarHBondContact O-ND2 2.98Å; T114-N143 VanDerWaalsContact O-ND2 3.1Å
115	Y	97	Very high	93.5	Very high	33 Å²	33	37.4 Å²	37.4	13%	0.129	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.8	-179.9	-72.8	-96.1	0	0	0	111.4	V90 Y91 Y93 E113 K119 Q120 P121 H146	V90-Y115 CarbonylContact C-O 3.55Å; V90-Y115 WeakPolarHBondContact CG1-O 3.43Å; Y91-Y115 PolarHBondContact N-O 2.89Å; Y91-Y115 PolarHBondContact O-N 2.94Å; Y93-Y115 AromaticContact CD2-CD2 3.32Å; Y93-Y115 HydrophobicContact CD2-CD2 3.32Å; Y93-Y115 AromaticContact CD2-CE2 3.93Å; Y93-Y115 HydrophobicContact CD2-CE2 3.93Å; Y93-Y115 AromaticContact CD2-CG 3.99Å; Y93-Y115 HydrophobicContact CD2-CG 3.99Å; Y93-Y115 AromaticContact CE2-CD2 3.85Å; Y93-Y115 HydrophobicContact CE2-CD2 3.85Å; Y93-Y115 HydrophobicContact CE2-CG 4.05Å; Y93-Y115 AromaticContact CG-CD2 3.85Å; Y93-Y115 HydrophobicContact CG-CD2 3.85Å; Y93-Y115 AromaticContact CG-CE2 3.97Å; Y93-Y115 HydrophobicContact CG-CE2 3.97Å; E113-Y115 HydrophobicContact CB-CD2 4.19Å; E113-Y115 HydrophobicContact CB-CE2 3.66Å; E113-Y115 WeakPolarHBondContact OE2-CE2 3.42Å; E113-Y115 PolarHBondContact OE2-OH 3.28Å; Y115-K119 WeakPolarHBondContact CD1-O 3.28Å; Y115-Q120 CarbonylContact C-O 3.4Å; Y115-Q120 WeakPolarHBondContact CA-O 3.49Å; Y115-P121 HydrophobicContact CD1-CG 4.4Å; Y115-P121 HydrophobicContact CE1-CG 3.96Å; Y115-H146 PolarHBondContact OH-ND1 2.85Å
116	K	95	Very high	91.8	Very high	78 Å²	78	37.7 Å²	37.7	34%	0.339	19%	0.189	S	C	.	.			trans	-66.2	170.6	177.5	-60.7	177.9	-173.7	176.1	0	111.6	Y91 N118 K119 Q120 P121 T122	Y91-K116 WeakPolarHBondContact CD2-O 3.16Å; K116-N118 WeakPolarHBondContact CB-OD1 3.45Å; K116-N118 PolarHBondContact O-N 3.03Å; K116-N118 VanDerWaalsContact O-N 3.07Å; K116-K119 PolarHBondContact O-N 3.42Å; K116-Q120 PolarHBondContact N-O 3.42Å; K116-P121 WeakPolarHBondContact CE-O 3.42Å; K116-T122 HydrophobicContact CG-CG2 3.93Å
117	Y	92.4	Very high	90.1	Very high	138 Å²	138	40.3 Å²	40.3	54%	0.541	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-33.5	175	73.4	-86.1	0	0	0	113.8	N87 K119	N87-Y117 WeakPolarHBondContact ND2-CD1 3.07Å; N87-Y117 WeakPolarHBondContact ND2-CE1 3.34Å; Y117-K119 VanDerWaalsContact C-N 3.32Å; Y117-K119 PolarHBondContact O-N 3.29Å
118	N	93.9	Very high	88.3	Confident	76 Å²	76	41.8 Å²	41.8	41%	0.406	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	14.9	179.1	70	-7.2	0	0	0	114.3	K116 Q120	K116-N118 WeakPolarHBondContact CB-OD1 3.45Å; K116-N118 PolarHBondContact O-N 3.03Å; K116-N118 VanDerWaalsContact O-N 3.07Å; N118-Q120 PolarHBondContact O-N 2.94Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; N118-Q120 WeakPolarHBondContact OD1-CG 3.44Å; N118-Q120 PolarHBondContact OD1-N 3.04Å
119	K	93.5	Very high	86.5	Confident	88 Å²	88	42 Å²	42	38%	0.383	22%	0.217	S	C	.	.	S	Bend	trans	64	16.9	178.5	-49.6	-55.9	-170.9	169.1	0	115.4	Y91 Y93 Y115 K116 Y117	Y91-K119 HydrophobicContact CD2-CD 3.96Å; Y91-K119 VanDerWaalsContact CD2-NZ 3.3Å; Y91-K119 HydrophobicContact CE2-CD 3.9Å; Y93-K119 PolarHBondContact OH-NZ 3.31Å; Y115-K119 WeakPolarHBondContact CD1-O 3.28Å; K116-K119 PolarHBondContact O-N 3.42Å; Y117-K119 VanDerWaalsContact C-N 3.32Å; Y117-K119 PolarHBondContact O-N 3.29Å
120	Q	94.4	Very high	84.1	Confident	113 Å²	113	50.7 Å²	50.7	53%	0.528	26%	0.255	S	S	.	.	S	Bend	trans	-88.4	149.1	169.3	-61.1	-59.4	-41.4	0	0	110.7	Y115 K116 N118	Y115-Q120 CarbonylContact C-O 3.4Å; Y115-Q120 WeakPolarHBondContact CA-O 3.49Å; K116-Q120 PolarHBondContact N-O 3.42Å; N118-Q120 PolarHBondContact O-N 2.94Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; N118-Q120 WeakPolarHBondContact OD1-CG 3.44Å; N118-Q120 PolarHBondContact OD1-N 3.04Å
121	P	94.2	Very high	81.6	Confident	33 Å²	33	55.3 Å²	55.3	21%	0.214	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-52.1	142.7	173.7	-25.7	33.9	0	0	0	111.9	Y115 K116 N143 H146	Y115-P121 HydrophobicContact CD1-CG 4.4Å; Y115-P121 HydrophobicContact CE1-CG 3.96Å; K116-P121 WeakPolarHBondContact CE-O 3.42Å; P121-N143 HydrophobicContact CB-CB 4Å; P121-H146 HydrophobicContact CB-CB 4.48Å; P121-H146 HydrophobicContact CG-CB 4.19Å; P121-H146 VanDerWaalsContact CG-CD2 3.5Å; P121-H146 WeakPolarHBondContact CG-CD2 3.48Å
122	T	89.5	Confident	79.1	Confident	2 Å²	2	58 Å²	58	1%	0.012	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-70.2	144.6	-179.5	52.2	0	0	0	0	112.6	V90 T114 K116 S142 N143	V90-T122 HydrophobicContact CG1-CG2 3.59Å; V90-T122 HydrophobicContact CG2-CG2 4.46Å; T114-T122 WeakPolarHBondContact CB-OG1 3.32Å; T114-T122 PolarHBondContact O-N 3.5Å; T114-T122 VanDerWaalsContact O-N 3.15Å; T114-T122 PolarHBondContact O-OG1 3.32Å; T114-T122 PolarHBondContact OG1-OG1 3.02Å; K116-T122 HydrophobicContact CG-CG2 3.93Å; T122-S142 VanDerWaalsContact C-OG 3.27Å; T122-S142 WeakPolarHBondContact CB-OG 3.13Å; T122-S142 PolarHBondContact O-N 3.44Å; T122-S142 PolarHBondContact O-OG 3Å; T122-S142 PolarHBondContact OG1-OG 2.87Å; T122-N143 PolarHBondContact O-N 2.86Å; T122-N143 PolarHBondContact OG1-N 2.9Å
123	G	84.7	Confident	76.1	Confident	8 Å²	8	61.7 Å²	61.7	8%	0.082	34%	0.34	C	S	.	.			trans	-103.5	-175.5	164.6	0	0	0	0	0	111.1	E140 S142	G123-E140 VanDerWaalsContact CA-O 3.24Å; G123-E140 WeakPolarHBondContact CA-O 2.94Å; G123-S142 VanDerWaalsContact C-OG 3.3Å; G123-S142 PolarHBondContact O-OG 3.25Å
124	R	74.4	Confident	73.6	Confident	39 Å²	39	69 Å²	69	15%	0.147	38%	0.378	C	S	.	.			trans	-80.1	132.3	163.6	-177.4	-176.8	-95.4	-165	-3.1	109.2	G48 T49 C129 I139	G48-R124 WeakPolarHBondContact O-CG 3.19Å; G48-R124 PolarHBondContact O-NE 3.03Å; T49-R124 PolarHBondContact O-NH2 3.45Å; T49-R124 VanDerWaalsContact O-NH2 3.15Å; R124-C129 VanDerWaalsContact CD-SG 3.6Å; R124-C129 WeakPolarHBondContact CG-SG 3.4Å; R124-I139 HydrophobicContact CB-CB 4.33Å; R124-I139 VanDerWaalsContact CB-O 3.27Å; R124-I139 WeakPolarHBondContact CB-O 3.35Å
125	C	71.2	Confident	71	Confident	16 Å²	16	72.2 Å²	72.2	11%	0.108	40%	0.397	C	S	.	.			trans	-92.8	103	170.6	-177.1	0	0	0	0	109.4	C81 L127 T128 C129	C81-C125 PolarHBondContact O-N 2.81Å; C125-L127 PolarHBondContact O-N 3.28Å; C125-T128 WeakPolarHBondContact CB-OG1 3.43Å; C125-T128 PolarHBondContact O-N 3Å; C125-T128 VanDerWaalsContact O-N 3.11Å; C125-T128 PolarHBondContact O-OG1 2.84Å; C125-C129 PolarHBondContact O-N 2.89Å; C125-C129 PolarHBondContact O-SG 2.8Å; C125-C129 VanDerWaalsContact O-SG 3.37Å
126	A	62.2	Low	68.6	Low	80 Å²	80	76.1 Å²	76.1	66%	0.661	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.9	-178.7	0	0	0	0	0	112.9	T128 C129	A126-T128 PolarHBondContact O-N 3.49Å; A126-C129 PolarHBondContact O-N 2.77Å
127	L	60.3	Low	66.4	Low	105 Å²	105	74.4 Å²	74.4	55%	0.55	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-68.2	-16.4	179.1	-74.7	164.6	0	0	0	113.8	E84 C125 F130	E84-L127 HydrophobicContact CG-CB 4.39Å; E84-L127 HydrophobicContact CG-CD1 3.98Å; E84-L127 VanDerWaalsContact OE1-CD1 3.26Å; E84-L127 WeakPolarHBondContact OE1-CD1 3.42Å; C125-L127 PolarHBondContact O-N 3.28Å; L127-F130 VanDerWaalsContact O-CD2 3.28Å; L127-F130 WeakPolarHBondContact O-CD2 3.42Å; L127-F130 WeakPolarHBondContact O-CE2 3.22Å
128	T	62.3	Low	64.5	Low	30 Å²	30	75.3 Å²	75.3	18%	0.184	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-114.5	0.8	178	50.5	0	0	0	0	113.4	C81 A83 C125 A126 F130	C81-T128 WeakPolarHBondContact CA-OG1 3.34Å; A83-T128 WeakPolarHBondContact O-CG2 3.4Å; A83-T128 PolarHBondContact O-OG1 2.96Å; C125-T128 WeakPolarHBondContact CB-OG1 3.43Å; C125-T128 PolarHBondContact O-N 3Å; C125-T128 VanDerWaalsContact O-N 3.11Å; C125-T128 PolarHBondContact O-OG1 2.84Å; A126-T128 PolarHBondContact O-N 3.49Å; T128-F130 PolarHBondContact O-N 3.12Å
129	C	59.6	Low	62.6	Low	22 Å²	22	72.2 Å²	72.2	15%	0.149	41%	0.411	C	S	.	.			trans	-77.4	35.8	172.9	-71.4	0	0	0	0	114.6	C81 R124 C125 A126 A131	C81-C129 WeakPolarHBondContact CB-SG 3.28Å; C81-C129 VanDerWaalsContact SG-SG 3.61Å; R124-C129 VanDerWaalsContact CD-SG 3.6Å; R124-C129 WeakPolarHBondContact CG-SG 3.4Å; C125-C129 PolarHBondContact O-N 2.89Å; C125-C129 PolarHBondContact O-SG 2.8Å; C125-C129 VanDerWaalsContact O-SG 3.37Å; A126-C129 PolarHBondContact O-N 2.77Å; C129-A131 PolarHBondContact O-N 3.26Å; C129-A131 VanDerWaalsContact O-N 3.13Å
130	F	49.2	Very low	61.2	Low	183 Å²	183	74.6 Å²	74.6	80%	0.803	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.4	-175.9	-77.9	-72.4	0	0	0	114.5	L127 T128	L127-F130 VanDerWaalsContact O-CD2 3.28Å; L127-F130 WeakPolarHBondContact O-CD2 3.42Å; L127-F130 WeakPolarHBondContact O-CE2 3.22Å; T128-F130 PolarHBondContact O-N 3.12Å
131	A	46.1	Very low	60.4	Low	97 Å²	97	71 Å²	71	80%	0.802	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-7.1	-175.3	0	0	0	0	0	115.5	C129	C129-A131 PolarHBondContact O-N 3.26Å; C129-A131 VanDerWaalsContact O-N 3.13Å
132	V	45.9	Very low	60	Low	58 Å²	58	69.7 Å²	69.7	35%	0.352	40%	0.404	S	S	.	.			trans	-110.7	66.5	177.1	-165.7	0	0	0	0	109.1	T49 I134	T49-V132 HydrophobicContact CG2-CG2 4.14Å; V132-I134 PolarHBondContact O-N 2.9Å; V132-I134 VanDerWaalsContact O-N 3.16Å
133	A	37.8	Very low	60.3	Low	83 Å²	83	70 Å²	70	69%	0.686	41%	0.406	S	S	*	.			trans	-67.4	107.1	163.2	0	0	0	0	0	107
134	I	43.9	Very low	60.8	Low	163 Å²	163	70 Å²	70	84%	0.836	40%	0.404	S	S	*	.	S	Bend	trans	178.5	-28.7	133.8	-88.8	153.9	0	0	0	113.1	V132	V132-I134 PolarHBondContact O-N 2.9Å; V132-I134 VanDerWaalsContact O-N 3.16Å
135	V	43.8	Very low	62	Low	71 Å²	71	69.1 Å²	69.1	43%	0.43	40%	0.401	S	S	.	.			trans	-146.4	105.5	170.1	-172.9	0	0	0	0	110.5	V137	V135-V137 VanDerWaalsContact C-N 3.28Å; V135-V137 HydrophobicContact CG1-CG2 3.79Å; V135-V137 PolarHBondContact O-N 2.96Å
136	V	45.6	Very low	63.2	Low	115 Å²	115	71.1 Å²	71.1	70%	0.697	41%	0.408	S	S	*	.			trans	-82.3	80.5	171.9	-173.7	0	0	0	0	108.2	K138	V136-K138 PolarHBondContact O-N 3.18Å
137	V	49.9	Very low	64.8	Low	42 Å²	42	69.1 Å²	69.1	26%	0.255	39%	0.39	S	S	.	.			trans	-68.4	127.1	155.2	-175.8	0	0	0	0	106.3	V135 I139 H322	V135-V137 VanDerWaalsContact C-N 3.28Å; V135-V137 HydrophobicContact CG1-CG2 3.79Å; V135-V137 PolarHBondContact O-N 2.96Å; V137-I139 PolarHBondContact O-N 3.41Å; V137-H322 HydrophobicContact CG2-CB 4.15Å; V137-H322 WeakPolarHBondContact CG2-O 3.4Å
138	K	51.9	Low	66.6	Low	158 Å²	158	64.1 Å²	64.1	69%	0.687	36%	0.363	S	S	*	.			trans	-67.2	86	176.7	-168.1	-170.2	178.9	-147.1	0	108.1	V136 E140	V136-K138 PolarHBondContact O-N 3.18Å; K138-E140 HydrophobicContact CD-CG 4.36Å; K138-E140 HydrophobicContact CG-CG 4.27Å; K138-E140 IonicContact NZ-OE1 2.78Å; K138-E140 PolarHBondContact NZ-OE1 2.85Å; K138-E140 PolarHBondContact O-N 3.44Å
139	I	53.8	Low	68.3	Low	11 Å²	11	66.7 Å²	66.7	6%	0.056	37%	0.372	C	S	.	.			trans	-71.7	105.2	169.2	-60.3	-172.5	0	0	0	106.4	T49 R124 V137 A141 A321	T49-I139 WeakPolarHBondContact O-CD1 3.48Å; R124-I139 HydrophobicContact CB-CB 4.33Å; R124-I139 VanDerWaalsContact CB-O 3.27Å; R124-I139 WeakPolarHBondContact CB-O 3.35Å; V137-I139 PolarHBondContact O-N 3.41Å; I139-A141 VanDerWaalsContact CG2-O 3.26Å; I139-A141 WeakPolarHBondContact CG2-O 3.35Å; I139-A321 WeakPolarHBondContact CD1-O 3.19Å
140	E	65.5	Low	70.1	Confident	138 Å²	138	70.2 Å²	70.2	65%	0.645	39%	0.386	S	S	*	.			trans	-73.7	-36.6	-174.4	-62.7	-164	145.5	0	0	112.5	G123 K138	G123-E140 VanDerWaalsContact CA-O 3.24Å; G123-E140 WeakPolarHBondContact CA-O 2.94Å; K138-E140 HydrophobicContact CD-CG 4.36Å; K138-E140 HydrophobicContact CG-CG 4.27Å; K138-E140 IonicContact NZ-OE1 2.78Å; K138-E140 PolarHBondContact NZ-OE1 2.85Å; K138-E140 PolarHBondContact O-N 3.44Å
141	A	77.4	Confident	72.5	Confident	38 Å²	38	61.5 Å²	61.5	31%	0.314	35%	0.348	S	S	.	.			trans	-121.2	132.1	178.9	0	0	0	0	0	111.5	I139 R381	I139-A141 VanDerWaalsContact CG2-O 3.26Å; I139-A141 WeakPolarHBondContact CG2-O 3.35Å; A141-R381 PolarHBondContact O-NH2 3.4Å
142	S	85.7	Confident	75	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.035	31%	0.312	C	S	.	.	S	Bend	trans	-97.1	-28.8	167.8	56.2	0	0	0	0	112	T122 G123 T144	T122-S142 VanDerWaalsContact C-OG 3.27Å; T122-S142 WeakPolarHBondContact CB-OG 3.13Å; T122-S142 PolarHBondContact O-N 3.44Å; T122-S142 PolarHBondContact O-OG 3Å; T122-S142 PolarHBondContact OG1-OG 2.87Å; G123-S142 VanDerWaalsContact C-OG 3.3Å; G123-S142 PolarHBondContact O-OG 3.25Å; S142-T144 PolarHBondContact O-N 3.18Å
143	N	94.6	Very high	77.5	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.048	31%	0.314	C	S	.	.			trans	-86.9	87.6	164.1	-178.7	-2.7	0	0	0	109.1	E113 T114 P121 T122 R145 H146	E113-N143 PolarHBondContact OE2-ND2 2.98Å; T114-N143 WeakPolarHBondContact O-CB 3.32Å; T114-N143 PolarHBondContact O-ND2 2.98Å; T114-N143 VanDerWaalsContact O-ND2 3.1Å; P121-N143 HydrophobicContact CB-CB 4Å; T122-N143 PolarHBondContact O-N 2.86Å; T122-N143 PolarHBondContact OG1-N 2.9Å; N143-R145 PolarHBondContact OD1-N 2.98Å; N143-H146 PolarHBondContact OD1-N 2.79Å
144	T	96.3	Very high	80.4	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.037	31%	0.306	C	S	.	.			trans	-87.2	-16.5	176.2	49.1	0	0	0	0	112.9	S142 H146 S147 C148 D378 R381	S142-T144 PolarHBondContact O-N 3.18Å; T144-H146 VanDerWaalsContact C-N 3.29Å; T144-H146 PolarHBondContact O-N 3.32Å; T144-S147 PolarHBondContact O-OG 3.24Å; T144-C148 PolarHBondContact O-N 3.08Å; T144-D378 WeakPolarHBondContact CB-OD2 3.31Å; T144-D378 WeakPolarHBondContact CG2-OD2 3.5Å; T144-D378 PolarHBondContact OG1-OD2 3.2Å; T144-R381 HydrophobicContact CG2-CG 4.01Å
145	R	98	Very high	82.9	Confident	22 Å²	22	51.4 Å²	51.4	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-38.4	176.5	-173.8	176.8	-173.7	-75.1	-1.2	111.8	E113 N143 C148 F149 I243 D247 Y380	E113-R145 HydrophobicContact CG-CB 3.98Å; E113-R145 HydrophobicContact CG-CG 4.16Å; E113-R145 VanDerWaalsContact OE1-CD 3.25Å; E113-R145 WeakPolarHBondContact OE1-CD 3.42Å; E113-R145 VanDerWaalsContact OE1-CG 3.23Å; E113-R145 WeakPolarHBondContact OE1-CG 3.39Å; E113-R145 IonicContact OE1-CZ 2.75Å; E113-R145 IonicContact OE1-NE 2.7Å; E113-R145 IonicContact OE1-NH1 3.23Å; E113-R145 PolarHBondContact OE1-NH1 2.9Å; N143-R145 PolarHBondContact OD1-N 2.98Å; R145-C148 PolarHBondContact O-N 2.88Å; R145-F149 WeakPolarHBondContact O-CB 3.49Å; R145-F149 PolarHBondContact O-N 3.48Å; R145-I243 HydrophobicContact CG-CD1 4.06Å; R145-I243 HydrophobicContact CG-CG1 4.4Å; R145-D247 IonicContact CZ-OD1 2.75Å; R145-D247 IonicContact CZ-OD2 3.69Å; R145-D247 IonicContact NE-OD1 2.65Å; R145-D247 PolarHBondContact NE-OD1 3Å; R145-D247 IonicContact NE-OD2 2.79Å; R145-D247 IonicContact NH2-OD1 3.93Å; R145-D247 PolarHBondContact NH2-OD1 2.84Å; R145-D247 IonicContact NH2-OD2 2.62Å; R145-D247 PolarHBondContact NH2-OD2 3.42Å; R145-Y380 HydrophobicContact CB-CD1 3.99Å; R145-Y380 HydrophobicContact CB-CD2 3.98Å; R145-Y380 HydrophobicContact CB-CE1 3.83Å; R145-Y380 HydrophobicContact CB-CE2 3.78Å; R145-Y380 HydrophobicContact CB-CG 4.1Å; R145-Y380 WeakPolarHBondContact CD-OH 3.36Å; R145-Y380 HydrophobicContact CG-CD1 3.89Å; R145-Y380 HydrophobicContact CG-CE1 3.44Å; R145-Y380 VanDerWaalsContact CG-CE1 3.44Å; R145-Y380 HydrophobicContact CG-CE2 4.23Å; R145-Y380 HydrophobicContact CG-CG 4.5Å
146	H	96.6	Very high	85.5	Confident	58 Å²	58	53.3 Å²	53.3	27%	0.269	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-52.4	-176.4	-171.7	64.6	0	0	0	112.9	Y115 P121 N143 T144 F149 E150	Y115-H146 PolarHBondContact OH-ND1 2.85Å; P121-H146 HydrophobicContact CB-CB 4.48Å; P121-H146 HydrophobicContact CG-CB 4.19Å; P121-H146 VanDerWaalsContact CG-CD2 3.5Å; P121-H146 WeakPolarHBondContact CG-CD2 3.48Å; N143-H146 PolarHBondContact OD1-N 2.79Å; T144-H146 VanDerWaalsContact C-N 3.29Å; T144-H146 PolarHBondContact O-N 3.32Å; H146-F149 PolarHBondContact O-N 2.75Å; H146-E150 IonicContact NE2-OE1 2.79Å; H146-E150 PolarHBondContact O-N 3.09Å
147	S	96.4	Very high	88	Confident	38 Å²	38	55.4 Å²	55.4	27%	0.266	26%	0.264	S	S	.	.	H	α-helix	trans	-66.7	-37.6	177.8	58.1	0	0	0	0	112.3	T144 F149 E150 A151 E384 R388	T144-S147 PolarHBondContact O-OG 3.24Å; S147-F149 VanDerWaalsContact C-N 3.33Å; S147-F149 PolarHBondContact O-N 2.86Å; S147-E150 PolarHBondContact O-N 3.43Å; S147-A151 PolarHBondContact O-N 2.89Å; S147-E384 WeakPolarHBondContact CB-OE1 3.1Å; S147-E384 PolarHBondContact OG-OE1 3.18Å; S147-E384 PolarHBondContact OG-OE2 3.12Å; S147-R388 PolarHBondContact O-NH2 3.44Å
148	C	98.2	Very high	90.3	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-42	175.4	-178.1	0	0	0	0	111.1	T144 R145 E150 A151 M152 I243 Y380 T383 E384	T144-C148 PolarHBondContact O-N 3.08Å; R145-C148 PolarHBondContact O-N 2.88Å; C148-E150 PolarHBondContact O-N 2.78Å; C148-A151 PolarHBondContact O-N 2.84Å; C148-M152 WeakPolarHBondContact O-CG 3.19Å; C148-M152 PolarHBondContact O-N 3.2Å; C148-I243 HydrophobicContact CB-CD1 4.01Å; C148-I243 VanDerWaalsContact SG-CD1 3.59Å; C148-Y380 HydrophobicContact CB-CD1 4.25Å; C148-Y380 HydrophobicContact CB-CG 4.49Å; C148-Y380 PolarHBondContact SG-O 3.16Å; C148-T383 PolarHBondContact SG-OG1 3.28Å; C148-E384 HydrophobicContact CB-CB 4Å; C148-E384 PolarHBondContact N-OE2 3.41Å
149	F	98.2	Very high	92.6	Very high	83 Å²	83	50.5 Å²	50.5	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-44	178.1	177.4	-96.4	0	0	0	111.4	R145 H146 S147 M152 E153 I243	R145-F149 WeakPolarHBondContact O-CB 3.49Å; R145-F149 PolarHBondContact O-N 3.48Å; H146-F149 PolarHBondContact O-N 2.75Å; S147-F149 VanDerWaalsContact C-N 3.33Å; S147-F149 PolarHBondContact O-N 2.86Å; F149-M152 PolarHBondContact O-N 3.42Å; F149-E153 HydrophobicContact CD1-CG 4.49Å; F149-E153 HydrophobicContact CE1-CG 3.94Å; F149-E153 HydrophobicContact CE2-CG 4.26Å; F149-E153 HydrophobicContact CZ-CG 3.8Å; F149-E153 PolarHBondContact O-N 3.49Å; F149-I243 HydrophobicContact CB-CD1 4.19Å; F149-I243 HydrophobicContact CB-CG1 4.43Å; F149-I243 HydrophobicContact CD2-CB 4.38Å; F149-I243 HydrophobicContact CD2-CG1 4.24Å; F149-I243 HydrophobicContact CD2-CG2 4.27Å
150	E	97.9	Very high	94.7	Very high	97 Å²	97	50.1 Å²	50.1	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-48.7	174.7	-67.2	-178.7	142.6	0	0	111.5	H146 S147 C148 M152 E153 D154	H146-E150 IonicContact NE2-OE1 2.79Å; H146-E150 PolarHBondContact O-N 3.09Å; S147-E150 PolarHBondContact O-N 3.43Å; C148-E150 PolarHBondContact O-N 2.78Å; E150-M152 VanDerWaalsContact C-N 3.3Å; E150-M152 PolarHBondContact O-N 2.87Å; E150-E153 PolarHBondContact O-N 3.24Å; E150-D154 PolarHBondContact O-N 3.33Å
151	A	98.5	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-38.6	177.7	0	0	0	0	0	112.9	S147 C148 D154 A155 E384 V387 R388	S147-A151 PolarHBondContact O-N 2.89Å; C148-A151 PolarHBondContact O-N 2.84Å; A151-D154 PolarHBondContact O-N 2.7Å; A151-A155 VanDerWaalsContact O-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.82Å; A151-E384 HydrophobicContact CB-CG 3.96Å; A151-V387 HydrophobicContact CB-CG1 4.47Å; A151-R388 HydrophobicContact CB-CG 4.19Å
152	M	98.4	Very high	97.3	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-37.3	177.5	-66.8	-60.2	169.3	0	0	112.1	C148 F149 E150 A155 K156 P160 F162 G242 I243 T383 V387	C148-M152 WeakPolarHBondContact O-CG 3.19Å; C148-M152 PolarHBondContact O-N 3.2Å; F149-M152 PolarHBondContact O-N 3.42Å; E150-M152 VanDerWaalsContact C-N 3.3Å; E150-M152 PolarHBondContact O-N 2.87Å; M152-A155 CarbonylContact O-C 3.43Å; M152-A155 PolarHBondContact O-N 3.25Å; M152-K156 PolarHBondContact O-N 2.78Å; M152-P160 HydrophobicContact SD-CG 4.25Å; M152-F162 HydrophobicContact CE-CE2 3.7Å; M152-F162 HydrophobicContact CE-CZ 3.72Å; M152-F162 HydrophobicContact SD-CE2 4.03Å; M152-F162 HydrophobicContact SD-CZ 4.35Å; M152-G242 VanDerWaalsContact SD-CA 3.52Å; M152-I243 HydrophobicContact CG-CB 4.45Å; M152-T383 VanDerWaalsContact CE-CB 3.47Å; M152-T383 WeakPolarHBondContact CE-O 3.49Å; M152-V387 HydrophobicContact CE-CB 4.38Å; M152-V387 HydrophobicContact CE-CG2 3.94Å; M152-V387 HydrophobicContact SD-CB 4.4Å; M152-V387 HydrophobicContact SD-CG1 4.49Å; M152-V387 HydrophobicContact SD-CG2 3.8Å
153	E	98.3	Very high	97.9	Very high	85 Å²	85	46.6 Å²	46.6	40%	0.397	22%	0.215	S	C	.	.	H	α-helix	trans	-68.3	-41.6	174.3	-76.3	-63.8	121	0	0	111.6	F149 E150 A155 K156	F149-E153 HydrophobicContact CD1-CG 4.49Å; F149-E153 HydrophobicContact CE1-CG 3.94Å; F149-E153 HydrophobicContact CE2-CG 4.26Å; F149-E153 HydrophobicContact CZ-CG 3.8Å; F149-E153 PolarHBondContact O-N 3.49Å; E150-E153 PolarHBondContact O-N 3.24Å; E153-A155 VanDerWaalsContact C-N 3.25Å; E153-A155 PolarHBondContact O-N 2.77Å; E153-K156 VanDerWaalsContact CD-NZ 3.28Å; E153-K156 WeakPolarHBondContact O-CB 3.49Å; E153-K156 PolarHBondContact O-N 2.83Å; E153-K156 IonicContact OE1-NZ 3.82Å; E153-K156 PolarHBondContact OE1-NZ 2.9Å; E153-K156 IonicContact OE2-NZ 3.68Å; E153-K156 PolarHBondContact OE2-NZ 2.91Å
154	D	98.4	Very high	98.1	Very high	96 Å²	96	46.4 Å²	46.4	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-63	-33.8	175.9	-72.5	-23	0	0	0	112.3	E150 A151 R157 L392	E150-D154 PolarHBondContact O-N 3.33Å; A151-D154 PolarHBondContact O-N 2.7Å; D154-R157 PolarHBondContact O-NH1 3.32Å; D154-L392 HydrophobicContact CB-CD1 4.07Å; D154-L392 HydrophobicContact CB-CD2 4.17Å
155	A	98.3	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.6	178.6	0	0	0	0	0	114.5	A151 M152 E153 R157 F158 V387 C391 L392	A151-A155 VanDerWaalsContact O-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.82Å; M152-A155 CarbonylContact O-C 3.43Å; M152-A155 PolarHBondContact O-N 3.25Å; E153-A155 VanDerWaalsContact C-N 3.25Å; E153-A155 PolarHBondContact O-N 2.77Å; A155-R157 PolarHBondContact O-N 3.28Å; A155-F158 HydrophobicContact CB-CD2 4.23Å; A155-F158 WeakPolarHBondContact O-CB 3.35Å; A155-F158 WeakPolarHBondContact O-CD2 3.34Å; A155-F158 PolarHBondContact O-N 2.89Å; A155-V387 HydrophobicContact CB-CG1 3.24Å; A155-C391 HydrophobicContact CB-CB 3.97Å; A155-L392 HydrophobicContact CB-CD2 4.09Å; A155-L392 HydrophobicContact CB-CG 4.42Å
156	K	97.8	Very high	98.3	Very high	111 Å²	111	46.7 Å²	46.7	48%	0.483	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-53.1	-34.5	-173.1	-169.1	176.5	-159.1	138.9	0	114	M152 E153 F158 E159	M152-K156 PolarHBondContact O-N 2.78Å; E153-K156 VanDerWaalsContact CD-NZ 3.28Å; E153-K156 WeakPolarHBondContact O-CB 3.49Å; E153-K156 PolarHBondContact O-N 2.83Å; E153-K156 IonicContact OE1-NZ 3.82Å; E153-K156 PolarHBondContact OE1-NZ 2.9Å; E153-K156 IonicContact OE2-NZ 3.68Å; E153-K156 PolarHBondContact OE2-NZ 2.91Å; K156-F158 PolarHBondContact O-N 2.69Å; K156-F158 VanDerWaalsContact O-N 3.15Å; K156-E159 PolarHBondContact O-N 3.28Å
157	R	98.1	Very high	98.4	Very high	159 Å²	159	44.5 Å²	44.5	60%	0.6	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-60.3	-21	176.8	71.8	-176.4	-176.3	-81.5	4.2	114.6	D154 A155	D154-R157 PolarHBondContact O-NH1 3.32Å; A155-R157 PolarHBondContact O-N 3.28Å
158	F	98.6	Very high	98.5	Very high	34 Å²	34	42.7 Å²	42.7	15%	0.149	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-88.1	-9.3	178.2	-64.3	-82.1	0	0	0	112.9	A155 K156 T289 K290 C391	A155-F158 HydrophobicContact CB-CD2 4.23Å; A155-F158 WeakPolarHBondContact O-CB 3.35Å; A155-F158 WeakPolarHBondContact O-CD2 3.34Å; A155-F158 PolarHBondContact O-N 2.89Å; K156-F158 PolarHBondContact O-N 2.69Å; K156-F158 VanDerWaalsContact O-N 3.15Å; F158-T289 HydrophobicContact CB-CG2 3.98Å; F158-T289 CarbonylContact O-C 3.44Å; F158-T289 WeakPolarHBondContact O-CA 3.46Å; F158-T289 WeakPolarHBondContact O-CB 3.35Å; F158-K290 PolarHBondContact O-N 3.02Å; F158-C391 HydrophobicContact CD2-CB 3.55Å; F158-C391 HydrophobicContact CE2-CB 3.66Å; F158-C391 WeakPolarHBondContact CE2-O 3.47Å; F158-C391 HydrophobicContact CG-CB 4.05Å; F158-C391 HydrophobicContact CZ-CB 4.29Å; F158-C391 WeakPolarHBondContact CZ-O 3.32Å
159	E	98.6	Very high	98.6	Very high	62 Å²	62	42.7 Å²	42.7	29%	0.29	19%	0.193	S	C	.	.			trans	46.6	59.2	-175.3	-55.8	171.9	-149.7	0	0	111.7	K156 W161 K290 R293	K156-E159 PolarHBondContact O-N 3.28Å; E159-W161 PolarHBondContact O-N 2.8Å; E159-K290 HydrophobicContact CB-CB 4.28Å; E159-K290 WeakPolarHBondContact OE1-CD 3.3Å; E159-K290 IonicContact OE1-NZ 3.94Å; E159-K290 PolarHBondContact OE1-NZ 2.82Å; E159-R293 PolarHBondContact O-NH1 3.04Å; E159-R293 PolarHBondContact O-NH2 3.15Å; E159-R293 IonicContact OE2-NH2 3.69Å
160	P	98.7	Very high	98.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.019	18%	0.176	C	C	.	.			trans	-67.7	123.5	-173.9	28.2	-33.9	0	0	0	110.9	M152 F162 E241 G242 F287 S288 V387	M152-P160 HydrophobicContact SD-CG 4.25Å; P160-F162 HydrophobicContact CB-CE2 4.09Å; P160-F162 HydrophobicContact CB-CZ 4.3Å; P160-E241 CarbonylContact O-C 3.52Å; P160-E241 WeakPolarHBondContact O-CA 3.44Å; P160-G242 PolarHBondContact O-N 3.35Å; P160-F287 HydrophobicContact CB-CE2 3.83Å; P160-S288 CarbonylContact C-O 3.52Å; P160-S288 WeakPolarHBondContact CA-O 3.29Å; P160-V387 HydrophobicContact CB-CG2 3.95Å; P160-V387 HydrophobicContact CG-CG2 4.25Å
161	W	98.9	Very high	98.6	Very high	91 Å²	91	35.3 Å²	35.3	35%	0.345	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.6	177.1	-74.4	3.3	0	0	0	111.1	E159 T239 C240 E241 F287 S288 R293	E159-W161 PolarHBondContact O-N 2.8Å; W161-T239 HydrophobicContact CB-CG2 3.66Å; W161-T239 HydrophobicContact CD2-CG2 3.73Å; W161-T239 HydrophobicContact CE3-CG2 3.57Å; W161-T239 HydrophobicContact CG-CG2 3.81Å; W161-T239 HydrophobicContact CZ3-CG2 4.43Å; W161-C240 CarbonylContact C-O 3.44Å; W161-C240 WeakPolarHBondContact CA-O 3.45Å; W161-E241 PolarHBondContact NE1-OE2 3.49Å; W161-F287 WeakPolarHBondContact O-CA 3.45Å; W161-S288 PolarHBondContact N-O 3.15Å; W161-S288 PolarHBondContact O-N 2.68Å; W161-R293 VanDerWaalsContact CD2-CZ 3.44Å; W161-R293 VanDerWaalsContact CG-NH1 3.35Å
162	F	98.9	Very high	98.4	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.1	179.9	-56.8	-84.5	0	0	0	111.9	M152 P160 C240 A245 N286 F287 T383 L386 V387	M152-F162 HydrophobicContact CE-CE2 3.7Å; M152-F162 HydrophobicContact CE-CZ 3.72Å; M152-F162 HydrophobicContact SD-CE2 4.03Å; M152-F162 HydrophobicContact SD-CZ 4.35Å; P160-F162 HydrophobicContact CB-CE2 4.09Å; P160-F162 HydrophobicContact CB-CZ 4.3Å; F162-C240 PolarHBondContact N-O 3.13Å; F162-C240 PolarHBondContact O-N 3.31Å; F162-A245 HydrophobicContact CB-CB 3.65Å; F162-A245 HydrophobicContact CD2-CB 3.92Å; F162-A245 HydrophobicContact CG-CB 4.09Å; F162-N286 CarbonylContact C-O 3.59Å; F162-N286 WeakPolarHBondContact CA-O 3.2Å; F162-F287 HydrophobicContact CD1-CB 4.37Å; F162-F287 AromaticContact CD1-CD2 3.68Å; F162-F287 HydrophobicContact CD1-CD2 3.68Å; F162-F287 HydrophobicContact CD1-CE2 4.5Å; F162-F287 HydrophobicContact CD1-CG 4.45Å; F162-F287 HydrophobicContact CE1-CB 4.49Å; F162-F287 AromaticContact CE1-CD2 3.25Å; F162-F287 HydrophobicContact CE1-CD2 3.25Å; F162-F287 AromaticContact CE1-CE2 3.72Å; F162-F287 HydrophobicContact CE1-CE2 3.72Å; F162-F287 HydrophobicContact CE1-CG 4.15Å; F162-F287 AromaticContact CZ-CD2 3.79Å; F162-F287 HydrophobicContact CZ-CD2 3.79Å; F162-F287 AromaticContact CZ-CE2 3.79Å; F162-F287 HydrophobicContact CZ-CE2 3.79Å; F162-T383 HydrophobicContact CD1-CG2 3.73Å; F162-T383 HydrophobicContact CD2-CG2 4.17Å; F162-T383 HydrophobicContact CE1-CG2 3.81Å; F162-T383 HydrophobicContact CE2-CG2 4.26Å; F162-T383 HydrophobicContact CG-CG2 3.9Å; F162-T383 HydrophobicContact CZ-CG2 4.08Å; F162-L386 HydrophobicContact CD1-CD1 4.44Å; F162-L386 HydrophobicContact CE1-CB 4.29Å; F162-L386 HydrophobicContact CE1-CD1 4.06Å; F162-V387 HydrophobicContact CE2-CG2 4.46Å; F162-V387 HydrophobicContact CZ-CG2 3.7Å
163	G	98.8	Very high	98.2	Very high	14 Å²	14	41.9 Å²	41.9	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.5	162.8	0	0	0	0	0	109.6	I237 N286	G163-I237 CarbonylContact C-O 3.56Å; G163-I237 WeakPolarHBondContact CA-O 3.37Å; G163-N286 PolarHBondContact N-O 3.41Å; G163-N286 WeakPolarHBondContact O-CA 3.49Å; G163-N286 VanDerWaalsContact O-CB 3.25Å; G163-N286 WeakPolarHBondContact O-CB 3.48Å; G163-N286 PolarHBondContact O-N 3.39Å; G163-N286 PolarHBondContact O-ND2 2.91Å; G163-N286 VanDerWaalsContact O-ND2 3.12Å
164	I	98.9	Very high	98	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124	-172.8	-52.4	172.6	0	0	0	110	Q166 Q236 I237 L249 A283 H284 P379 T383	I164-Q166 PolarHBondContact O-N 2.92Å; I164-Q236 WeakPolarHBondContact O-CA 3.39Å; I164-I237 PolarHBondContact N-O 3.32Å; I164-I237 PolarHBondContact O-N 2.89Å; I164-L249 HydrophobicContact CB-CD2 4.2Å; I164-L249 HydrophobicContact CD1-CD2 3.99Å; I164-L249 HydrophobicContact CG2-CD2 3.71Å; I164-A283 HydrophobicContact CG2-CB 4.26Å; I164-H284 WeakPolarHBondContact CA-O 3.3Å; I164-P379 HydrophobicContact CD1-CB 4.02Å; I164-T383 HydrophobicContact CD1-CG2 4.3Å
165	E	98.9	Very high	97.7	Very high	33 Å²	33	45.9 Å²	45.9	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	90.5	179.4	-68.9	171	-154.9	0	0	109.5	E167 E234 Q236 A283 H284 N286	E165-E167 PolarHBondContact O-N 2.82Å; E165-E234 HydrophobicContact CB-CG 4.46Å; E165-E234 VanDerWaalsContact CB-OE1 3.25Å; E165-E234 WeakPolarHBondContact CB-OE1 3.48Å; E165-E234 WeakPolarHBondContact CG-OE1 3.44Å; E165-Q236 HydrophobicContact CB-CG 4.47Å; E165-Q236 HydrophobicContact CG-CG 3.86Å; E165-A283 CarbonylContact O-C 3.58Å; E165-A283 WeakPolarHBondContact O-CA 3.41Å; E165-H284 HydrophobicContact CB-CB 4.04Å; E165-H284 HydrophobicContact CG-CB 4.41Å; E165-H284 PolarHBondContact N-O 2.61Å; E165-H284 PolarHBondContact O-N 3.1Å; E165-H284 IonicContact OE2-CG 2.75Å; E165-H284 IonicContact OE2-ND1 3.57Å; E165-H284 PolarHBondContact OE2-ND1 3.48Å; E165-N286 PolarHBondContact OE1-ND2 3.15Å
166	Q	98.9	Very high	97.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	106.2	-177.6	178	67.8	72	0	0	111	I164 E234 F235 L249 F269 S375	I164-Q166 PolarHBondContact O-N 2.92Å; Q166-E234 VanDerWaalsContact O-CA 3.29Å; Q166-E234 WeakPolarHBondContact O-CA 3.15Å; Q166-F235 HydrophobicContact CB-CD1 4.12Å; Q166-F235 HydrophobicContact CB-CD2 4.2Å; Q166-F235 HydrophobicContact CB-CE1 3.72Å; Q166-F235 HydrophobicContact CB-CE2 3.81Å; Q166-F235 HydrophobicContact CB-CG 4.35Å; Q166-F235 HydrophobicContact CB-CZ 3.57Å; Q166-F235 HydrophobicContact CG-CD1 4.17Å; Q166-F235 HydrophobicContact CG-CE1 3.4Å; Q166-F235 HydrophobicContact CG-CE2 4.19Å; Q166-F235 HydrophobicContact CG-CZ 3.42Å; Q166-F235 VanDerWaalsContact CG-CZ 3.42Å; Q166-F235 PolarHBondContact N-O 2.92Å; Q166-F235 PolarHBondContact O-N 3.32Å; Q166-L249 HydrophobicContact CB-CD1 3.89Å; Q166-L249 HydrophobicContact CG-CD1 4.28Å; Q166-F269 HydrophobicContact CG-CD1 4.48Å; Q166-F269 HydrophobicContact CG-CE1 4.05Å; Q166-S375 PolarHBondContact NE2-O 3.26Å
167	E	98.9	Very high	97.5	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.5	168.6	-59.5	175.1	-166.1	0	0	111	E165 E227 Q232 W233 E234 A281 G282 H284 S375	E165-E167 PolarHBondContact O-N 2.82Å; E167-E227 HydrophobicContact CG-CG 4.17Å; E167-Q232 PolarHBondContact OE2-NE2 3.09Å; E167-W233 CarbonylContact C-O 3.44Å; E167-W233 WeakPolarHBondContact CA-O 3.27Å; E167-E234 HydrophobicContact CG-CB 4.27Å; E167-E234 HydrophobicContact CG-CG 3.89Å; E167-A281 HydrophobicContact CB-CB 4.06Å; E167-A281 WeakPolarHBondContact OE2-CA 3.43Å; E167-G282 WeakPolarHBondContact CB-O 3.43Å; E167-G282 PolarHBondContact N-O 3.37Å; E167-G282 VanDerWaalsContact N-O 3.09Å; E167-G282 PolarHBondContact OE2-N 2.93Å; E167-H284 IonicContact OE1-CE1 2.67Å; E167-H284 PolarHBondContact OE1-CE1 3.5Å; E167-H284 IonicContact OE1-NE2 3.58Å; E167-S375 VanDerWaalsContact O-CB 3.3Å; E167-S375 WeakPolarHBondContact O-CB 3.42Å
168	Y	98.9	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.1	178.6	64.3	-79.4	0	0	0	111.3	L170 Q232 W233 F235 L256 V267 F269	Y168-L170 HydrophobicContact CD2-CD2 4.06Å; Y168-L170 HydrophobicContact CE2-CD2 3.77Å; Y168-L170 HydrophobicContact CE2-CG 4.23Å; Y168-Q232 WeakPolarHBondContact O-CA 3.38Å; Y168-Q232 VanDerWaalsContact O-CG 3.26Å; Y168-Q232 WeakPolarHBondContact O-CG 3.4Å; Y168-W233 HydrophobicContact CD1-CB 4.29Å; Y168-W233 VanDerWaalsContact CD1-O 3.27Å; Y168-W233 WeakPolarHBondContact CD1-O 3.48Å; Y168-W233 HydrophobicContact CD2-CB 4.5Å; Y168-W233 HydrophobicContact CE1-CB 3.59Å; Y168-W233 HydrophobicContact CE2-CB 3.88Å; Y168-W233 HydrophobicContact CE2-CG 4.49Å; Y168-W233 PolarHBondContact N-O 2.78Å; Y168-W233 PolarHBondContact O-N 3.15Å; Y168-F235 HydrophobicContact CD1-CD1 4.01Å; Y168-F235 HydrophobicContact CD1-CE1 4.14Å; Y168-F235 AromaticContact CE1-CD1 3.65Å; Y168-F235 HydrophobicContact CE1-CD1 3.65Å; Y168-F235 HydrophobicContact CE1-CE1 4.15Å; Y168-L256 HydrophobicContact CD1-CD2 3.99Å; Y168-L256 HydrophobicContact CD2-CD2 3.78Å; Y168-L256 HydrophobicContact CE1-CD2 4.07Å; Y168-L256 HydrophobicContact CE2-CD1 3.93Å; Y168-L256 HydrophobicContact CE2-CD2 3.82Å; Y168-L256 HydrophobicContact CE2-CG 4.45Å; Y168-L256 HydrophobicContact CG-CD2 3.84Å; Y168-V267 HydrophobicContact CD2-CG1 4.1Å; Y168-V267 HydrophobicContact CG-CG1 4.49Å; Y168-F269 HydrophobicContact CG-CE1 4.41Å
169	T	98.8	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.4	177.5	-61.2	0	0	0	0	111.1	Y171 M229 S268 P273	T169-Y171 HydrophobicContact CG2-CD2 3.93Å; T169-Y171 HydrophobicContact CG2-CE2 3.52Å; T169-M229 HydrophobicContact CG2-CE 3.3Å; T169-M229 WeakPolarHBondContact OG1-CE 3.26Å; T169-S268 PolarHBondContact N-O 2.75Å; T169-S268 PolarHBondContact O-N 3.23Å; T169-P273 HydrophobicContact CG2-CB 4.38Å; T169-P273 HydrophobicContact CG2-CG 4.49Å; T169-P273 WeakPolarHBondContact OG1-CG 3.31Å
170	L	98.7	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.8	172.5	-61.7	-178.6	0	0	0	111.2	Y168 Y178 V206 A231 V265 V266 V267	Y168-L170 HydrophobicContact CD2-CD2 4.06Å; Y168-L170 HydrophobicContact CE2-CD2 3.77Å; Y168-L170 HydrophobicContact CE2-CG 4.23Å; L170-Y178 HydrophobicContact CB-CG 4.35Å; L170-Y178 WeakPolarHBondContact O-CB 3.41Å; L170-Y178 PolarHBondContact O-N 2.89Å; L170-V206 HydrophobicContact CD1-CB 4.47Å; L170-V206 HydrophobicContact CD2-CG1 4.42Å; L170-A231 HydrophobicContact CB-CB 4.45Å; L170-A231 PolarHBondContact N-O 3.34Å; L170-V265 HydrophobicContact CB-CG1 3.79Å; L170-V265 HydrophobicContact CD1-CG1 4.36Å; L170-V265 HydrophobicContact CD2-CG1 3.79Å; L170-V265 HydrophobicContact CG-CG1 4.18Å; L170-V266 CarbonylContact C-O 3.35Å; L170-V266 WeakPolarHBondContact CA-O 3.37Å; L170-V267 HydrophobicContact CD2-CG2 3.91Å
171	Y	98.1	Very high	97	Very high	24 Å²	24	43.3 Å²	43.3	9%	0.094	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.1	179.8	-79.7	-95.6	0	0	0	110.6	T169 R175 Y176 P177 V265 V266 P273	T169-Y171 HydrophobicContact CG2-CD2 3.93Å; T169-Y171 HydrophobicContact CG2-CE2 3.52Å; Y171-R175 WeakPolarHBondContact CD1-O 3.45Å; Y171-R175 VanDerWaalsContact CE1-O 3.27Å; Y171-R175 WeakPolarHBondContact CE1-O 3.27Å; Y171-Y176 CarbonylContact C-O 3.5Å; Y171-Y176 WeakPolarHBondContact CA-O 3.38Å; Y171-Y176 WeakPolarHBondContact CD1-O 3.4Å; Y171-P177 HydrophobicContact CD1-CG 4.38Å; Y171-P177 HydrophobicContact CE1-CG 3.86Å; Y171-V265 WeakPolarHBondContact O-CG1 3.46Å; Y171-V266 PolarHBondContact N-O 3.33Å; Y171-V266 PolarHBondContact O-N 2.52Å; Y171-P273 HydrophobicContact CE2-CB 4.2Å; Y171-P273 WeakPolarHBondContact OH-CB 3.4Å; Y171-P273 PolarHBondContact OH-O 3.32Å
172	D	95.6	Very high	96.7	Very high	34 Å²	34	44 Å²	44	18%	0.182	20%	0.204	C	C	.	.			trans	-65.8	164.5	161.3	-72.8	-40.5	0	0	0	110.5	D174 R175 Y176 Y178 K182	D172-D174 WeakPolarHBondContact CB-OD1 3.36Å; D172-D174 PolarHBondContact O-N 3.26Å; D172-D174 VanDerWaalsContact O-N 3.13Å; D172-R175 WeakPolarHBondContact O-CA 3.27Å; D172-R175 PolarHBondContact O-N 2.79Å; D172-Y176 PolarHBondContact N-O 2.82Å; D172-Y178 WeakPolarHBondContact OD1-CD2 3.26Å; D172-Y178 WeakPolarHBondContact OD1-CE2 3.35Å; D172-K182 WeakPolarHBondContact OD2-CE 3.21Å; D172-K182 IonicContact OD2-NZ 3.42Å; D172-K182 PolarHBondContact OD2-NZ 2.78Å
173	L	94.2	Very high	96.3	Very high	112 Å²	112	52.1 Å²	52.1	59%	0.586	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-25.4	178.6	-65.3	-179.3	0	0	0	113.6	R175 N264 V266	L173-R175 PolarHBondContact O-N 3.29Å; L173-N264 HydrophobicContact CD1-CB 4.23Å; L173-N264 HydrophobicContact CD2-CB 4.43Å; L173-N264 WeakPolarHBondContact CD2-O 3.34Å; L173-N264 HydrophobicContact CG-CB 4.44Å; L173-N264 WeakPolarHBondContact CG-O 3.29Å; L173-V266 HydrophobicContact CD2-CG2 4.12Å
174	D	93.6	Very high	96	Very high	95 Å²	95	52.4 Å²	52.4	51%	0.508	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	8.3	174.8	66	0.8	0	0	0	113.4	D172 Y176 K182	D172-D174 WeakPolarHBondContact CB-OD1 3.36Å; D172-D174 PolarHBondContact O-N 3.26Å; D172-D174 VanDerWaalsContact O-N 3.13Å; D174-Y176 PolarHBondContact O-N 2.75Å; D174-Y176 VanDerWaalsContact OD1-CB 3.26Å; D174-Y176 WeakPolarHBondContact OD1-CB 3.47Å; D174-Y176 PolarHBondContact OD1-N 3.42Å; D174-K182 VanDerWaalsContact CG-NZ 3.29Å; D174-K182 IonicContact OD1-NZ 3.64Å; D174-K182 PolarHBondContact OD1-NZ 3.04Å; D174-K182 IonicContact OD2-NZ 2.68Å; D174-K182 PolarHBondContact OD2-NZ 2.97Å
175	R	92.1	Very high	95.9	Very high	171 Å²	171	58.5 Å²	58.5	65%	0.645	28%	0.276	S	S	*	.	S	Bend	trans	61.2	26.5	-178.1	-55.7	-74.8	-170.2	155	1.2	113.2	Y171 D172 L173	Y171-R175 WeakPolarHBondContact CD1-O 3.45Å; Y171-R175 VanDerWaalsContact CE1-O 3.27Å; Y171-R175 WeakPolarHBondContact CE1-O 3.27Å; D172-R175 WeakPolarHBondContact O-CA 3.27Å; D172-R175 PolarHBondContact O-N 2.79Å; L173-R175 PolarHBondContact O-N 3.29Å
176	Y	94.8	Very high	95.7	Very high	54 Å²	54	58 Å²	58	21%	0.212	28%	0.276	C	S	.	.	S	Bend	trans	-91.9	142.8	163.4	-151.3	-105.2	0	0	0	111.1	Y171 D172 D174 Y178 W180 P181 K182 L183 G184	Y171-Y176 CarbonylContact C-O 3.5Å; Y171-Y176 WeakPolarHBondContact CA-O 3.38Å; Y171-Y176 WeakPolarHBondContact CD1-O 3.4Å; D172-Y176 PolarHBondContact N-O 2.82Å; D174-Y176 PolarHBondContact O-N 2.75Å; D174-Y176 VanDerWaalsContact OD1-CB 3.26Å; D174-Y176 WeakPolarHBondContact OD1-CB 3.47Å; D174-Y176 PolarHBondContact OD1-N 3.42Å; Y176-Y178 PolarHBondContact O-N 3.23Å; Y176-W180 HydrophobicContact CD1-CB 3.97Å; Y176-W180 HydrophobicContact CE1-CB 3.68Å; Y176-P181 VanDerWaalsContact CE1-O 3.25Å; Y176-P181 WeakPolarHBondContact CE1-O 3.49Å; Y176-P181 PolarHBondContact OH-O 3.15Å; Y176-K182 HydrophobicContact CD1-CD 4.06Å; Y176-K182 HydrophobicContact CG-CD 4.34Å; Y176-L183 PolarHBondContact OH-N 2.93Å; Y176-G184 PolarHBondContact OH-N 2.98Å; Y176-G184 PolarHBondContact OH-O 3.27Å
177	P	96.7	Very high	95.6	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.058	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-53.1	135.2	179.5	-27.4	35.2	0	0	0	111.9	Y171 R179 W180 V274	Y171-P177 HydrophobicContact CD1-CG 4.38Å; Y171-P177 HydrophobicContact CE1-CG 3.86Å; P177-R179 PolarHBondContact O-N 3.03Å; P177-W180 HydrophobicContact CB-CB 4.28Å; P177-W180 HydrophobicContact CB-CD2 3.62Å; P177-W180 HydrophobicContact CB-CE3 4.2Å; P177-W180 HydrophobicContact CB-CG 3.64Å; P177-W180 HydrophobicContact CB-CZ2 4.36Å; P177-W180 HydrophobicContact CG-CD2 4.1Å; P177-W180 HydrophobicContact CG-CE3 4.17Å; P177-W180 HydrophobicContact CG-CG 4.47Å; P177-W180 WeakPolarHBondContact O-CB 3.41Å; P177-W180 PolarHBondContact O-N 2.94Å; P177-V274 HydrophobicContact CG-CG2 3.77Å
178	Y	97.1	Very high	95.5	Very high	39 Å²	39	65.5 Å²	65.5	15%	0.153	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	126.2	-165.4	-178.2	-108.9	0	0	0	111.4	L170 D172 Y176 W180 F202 V265	L170-Y178 HydrophobicContact CB-CG 4.35Å; L170-Y178 WeakPolarHBondContact O-CB 3.41Å; L170-Y178 PolarHBondContact O-N 2.89Å; D172-Y178 WeakPolarHBondContact OD1-CD2 3.26Å; D172-Y178 WeakPolarHBondContact OD1-CE2 3.35Å; Y176-Y178 PolarHBondContact O-N 3.23Å; Y178-W180 PolarHBondContact O-N 2.9Å; Y178-W180 VanDerWaalsContact O-N 3.15Å; Y178-F202 HydrophobicContact CD1-CB 4.19Å; Y178-V265 HydrophobicContact CD2-CG1 4.18Å; Y178-V265 HydrophobicContact CD2-CG2 4.05Å; Y178-V265 HydrophobicContact CE2-CG2 3.73Å; Y178-V265 HydrophobicContact CG-CG1 4.41Å
179	R	94.4	Very high	95.4	Very high	137 Å²	137	67.8 Å²	67.8	52%	0.517	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	13.4	-177.7	-63.7	-175.5	177.5	-159.3	0.7	116.1	P177 F202	P177-R179 PolarHBondContact O-N 3.03Å; R179-F202 HydrophobicContact CB-CB 4.37Å; R179-F202 HydrophobicContact CB-CD2 4.41Å; R179-F202 HydrophobicContact CB-CG 4.19Å
180	W	96.8	Very high	95.3	Very high	8 Å²	8	70.5 Å²	70.5	3%	0.03	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-68.4	150.4	168.3	-76.5	37.5	0	0	0	110.6	Y176 P177 Y178 K182 F185 P186 M229 P230 V274 W278	Y176-W180 HydrophobicContact CD1-CB 3.97Å; Y176-W180 HydrophobicContact CE1-CB 3.68Å; P177-W180 HydrophobicContact CB-CB 4.28Å; P177-W180 HydrophobicContact CB-CD2 3.62Å; P177-W180 HydrophobicContact CB-CE3 4.2Å; P177-W180 HydrophobicContact CB-CG 3.64Å; P177-W180 HydrophobicContact CB-CZ2 4.36Å; P177-W180 HydrophobicContact CG-CD2 4.1Å; P177-W180 HydrophobicContact CG-CE3 4.17Å; P177-W180 HydrophobicContact CG-CG 4.47Å; P177-W180 WeakPolarHBondContact O-CB 3.41Å; P177-W180 PolarHBondContact O-N 2.94Å; Y178-W180 PolarHBondContact O-N 2.9Å; Y178-W180 VanDerWaalsContact O-N 3.15Å; W180-K182 PolarHBondContact O-N 3.38Å; W180-K182 VanDerWaalsContact O-N 3.14Å; W180-F185 HydrophobicContact CE3-CD1 4.32Å; W180-F185 AromaticContact CZ3-CD1 3.69Å; W180-F185 HydrophobicContact CZ3-CD1 3.69Å; W180-F185 HydrophobicContact CZ3-CE1 4.24Å; W180-P186 VanDerWaalsContact CD2-CD 3.41Å; W180-P186 HydrophobicContact CD2-CG 3.74Å; W180-P186 HydrophobicContact CE3-CG 4.07Å; W180-P186 HydrophobicContact CG-CG 4.21Å; W180-P186 HydrophobicContact CH2-CG 4.3Å; W180-P186 HydrophobicContact CZ2-CG 4Å; W180-P186 HydrophobicContact CZ3-CG 4.34Å; W180-M229 HydrophobicContact CH2-CG 4.39Å; W180-M229 HydrophobicContact CH2-SD 4.37Å; W180-M229 HydrophobicContact CZ2-CG 3.83Å; W180-M229 HydrophobicContact CZ2-SD 4.12Å; W180-P230 HydrophobicContact CZ2-CG 3.68Å; W180-P230 PolarHBondContact NE1-O 3.09Å; W180-V274 HydrophobicContact CH2-CB 4.49Å; W180-V274 HydrophobicContact CH2-CG1 4.23Å; W180-V274 HydrophobicContact CH2-CG2 4.07Å; W180-V274 HydrophobicContact CZ3-CG1 4.21Å; W180-V274 HydrophobicContact CZ3-CG2 4.38Å; W180-W278 AromaticContact CH2-CD2 3.57Å; W180-W278 HydrophobicContact CH2-CD2 3.57Å; W180-W278 AromaticContact CH2-CE2 3.65Å; W180-W278 AromaticContact CH2-CE3 3.81Å; W180-W278 HydrophobicContact CH2-CE3 3.81Å; W180-W278 HydrophobicContact CH2-CG 4.06Å; W180-W278 HydrophobicContact CH2-CH2 4.2Å; W180-W278 AromaticContact CH2-CZ2 3.99Å; W180-W278 HydrophobicContact CH2-CZ2 3.99Å; W180-W278 HydrophobicContact CH2-CZ3 4.11Å; W180-W278 HydrophobicContact CZ2-CD2 4.37Å; W180-W278 HydrophobicContact CZ2-CE3 4.18Å; W180-W278 HydrophobicContact CZ2-CZ3 4.33Å; W180-W278 HydrophobicContact CZ3-CD2 4.4Å; W180-W278 HydrophobicContact CZ3-CZ2 4.2Å
181	P	95.1	Very high	95.3	Very high	67 Å²	67	73.4 Å²	73.4	44%	0.435	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-55.5	121	172.2	-22.4	33.3	0	0	0	109.8	Y176 L183 G184	Y176-P181 VanDerWaalsContact CE1-O 3.25Å; Y176-P181 WeakPolarHBondContact CE1-O 3.49Å; Y176-P181 PolarHBondContact OH-O 3.15Å; P181-L183 PolarHBondContact O-N 3.05Å; P181-G184 CarbonylContact O-C 3.54Å; P181-G184 WeakPolarHBondContact O-CA 3.25Å; P181-G184 PolarHBondContact O-N 2.63Å
182	K	92.9	Very high	95.3	Very high	106 Å²	106	72.6 Å²	72.6	46%	0.461	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.4	-178.8	-63.9	-65.5	177.1	-179.4	0	109.9	D172 D174 Y176 W180 G184	D172-K182 WeakPolarHBondContact OD2-CE 3.21Å; D172-K182 IonicContact OD2-NZ 3.42Å; D172-K182 PolarHBondContact OD2-NZ 2.78Å; D174-K182 VanDerWaalsContact CG-NZ 3.29Å; D174-K182 IonicContact OD1-NZ 3.64Å; D174-K182 PolarHBondContact OD1-NZ 3.04Å; D174-K182 IonicContact OD2-NZ 2.68Å; D174-K182 PolarHBondContact OD2-NZ 2.97Å; Y176-K182 HydrophobicContact CD1-CD 4.06Å; Y176-K182 HydrophobicContact CG-CD 4.34Å; W180-K182 PolarHBondContact O-N 3.38Å; W180-K182 VanDerWaalsContact O-N 3.14Å; K182-G184 PolarHBondContact O-N 3.3Å
183	L	90.2	Very high	95.4	Very high	173 Å²	173	76.1 Å²	76.1	91%	0.906	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	23.6	-174.7	-49.4	174.3	0	0	0	114.1	Y176 P181	Y176-L183 PolarHBondContact OH-N 2.93Å; P181-L183 PolarHBondContact O-N 3.05Å
184	G	93.5	Very high	95.6	Very high	20 Å²	20	74.5 Å²	74.5	21%	0.206	39%	0.393	C	S	.	.	S	Bend	trans	-146.8	-167.8	-178.6	0	0	0	0	0	113.3	Y176 P181 K182	Y176-G184 PolarHBondContact OH-N 2.98Å; Y176-G184 PolarHBondContact OH-O 3.27Å; P181-G184 CarbonylContact O-C 3.54Å; P181-G184 WeakPolarHBondContact O-CA 3.25Å; P181-G184 PolarHBondContact O-N 2.63Å; K182-G184 PolarHBondContact O-N 3.3Å
185	F	95.3	Very high	95.8	Very high	133 Å²	133	70.4 Å²	70.4	58%	0.583	37%	0.374	S	S	*	.			trans	-128.8	146.9	-179.7	-64.5	-85.9	0	0	0	109.5	W180 V274 W278	W180-F185 HydrophobicContact CE3-CD1 4.32Å; W180-F185 AromaticContact CZ3-CD1 3.69Å; W180-F185 HydrophobicContact CZ3-CD1 3.69Å; W180-F185 HydrophobicContact CZ3-CE1 4.24Å; F185-V274 HydrophobicContact CE1-CG1 4.48Å; F185-W278 HydrophobicContact CB-CZ2 4.07Å; F185-W278 AromaticContact CD1-CE2 3.92Å; F185-W278 AromaticContact CD1-CZ2 3.81Å; F185-W278 HydrophobicContact CD1-CZ2 3.81Å; F185-W278 AromaticContact CD1-NE1 3.56Å; F185-W278 AromaticContact CE1-NE1 3.74Å; F185-W278 HydrophobicContact CG-CZ2 4.33Å
186	P	95.9	Very high	96.1	Very high	24 Å²	24	67.6 Å²	67.6	16%	0.156	38%	0.375	C	S	.	.			trans	-69.2	-179.6	167.5	32.1	-33.9	0	0	0	110.1	W180 P230 W278	W180-P186 VanDerWaalsContact CD2-CD 3.41Å; W180-P186 HydrophobicContact CD2-CG 3.74Å; W180-P186 HydrophobicContact CE3-CG 4.07Å; W180-P186 HydrophobicContact CG-CG 4.21Å; W180-P186 HydrophobicContact CH2-CG 4.3Å; W180-P186 HydrophobicContact CZ2-CG 4Å; W180-P186 HydrophobicContact CZ3-CG 4.34Å; P186-P230 HydrophobicContact CB-CG 4.25Å; P186-P230 HydrophobicContact CG-CB 4.39Å; P186-P230 HydrophobicContact CG-CG 3.47Å; P186-P230 VanDerWaalsContact CG-CG 3.47Å; P186-W278 HydrophobicContact CG-CH2 3.77Å; P186-W278 HydrophobicContact CG-CZ2 4.48Å; P186-W278 HydrophobicContact CG-CZ3 4.22Å
187	A	96	Very high	96.3	Very high	60 Å²	60	66.5 Å²	66.5	50%	0.496	38%	0.381	S	S	.	.	S	Bend	trans	-58.9	157.6	173.4	0	0	0	0	0	111.2	Y192 W278	A187-Y192 VanDerWaalsContact C-OH 3.29Å; A187-Y192 WeakPolarHBondContact CA-OH 3.25Å; A187-Y192 WeakPolarHBondContact CB-OH 3.23Å; A187-Y192 PolarHBondContact N-OH 3.07Å; A187-Y192 WeakPolarHBondContact O-CE2 3.45Å; A187-Y192 PolarHBondContact O-OH 3.48Å; A187-W278 WeakPolarHBondContact O-CH2 3.07Å
188	P	96.9	Very high	96.2	Very high	109 Å²	109	70.4 Å²	70.4	71%	0.708	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-53.7	154.5	177.3	-26.5	35.2	0	0	0	113.4	Y192	P188-Y192 WeakPolarHBondContact O-CE2 3.29Å
189	Q	97.5	Very high	96.2	Very high	49 Å²	49	73.2 Å²	73.2	23%	0.229	43%	0.431	C	S	.	.	S	Bend	trans	-57.4	149.6	177.1	-55.4	-167.4	138.5	0	0	112.1	V228 W278 N279	Q189-V228 HydrophobicContact CB-CG1 3.97Å; Q189-V228 HydrophobicContact CG-CG1 4.36Å; Q189-W278 HydrophobicContact CG-CE3 3.49Å; Q189-W278 VanDerWaalsContact CG-CE3 3.49Å; Q189-W278 HydrophobicContact CG-CZ3 3.61Å; Q189-W278 VanDerWaalsContact OE1-CA 3.32Å; Q189-N279 PolarHBondContact NE2-OD1 3.15Å
190	G	96.5	Very high	96.3	Very high	56 Å²	56	71.2 Å²	71.2	58%	0.577	42%	0.424	S	S	*	.	S	Bend	trans	145.2	-61	-176.1	0	0	0	0	0	112.8	Y192	G190-Y192 VanDerWaalsContact C-N 3.27Å; G190-Y192 PolarHBondContact O-N 3.1Å
191	P	97.6	Very high	96.3	Very high	61 Å²	61	71.6 Å²	71.6	40%	0.396	43%	0.427	S	S	.	.	S	Bend	trans	-79.1	-6.1	-174.6	32.1	-36.2	0	0	0	114.5	R200	P191-R200 HydrophobicContact CB-CG 4.26Å; P191-R200 WeakPolarHBondContact O-CD 3.36Å
192	Y	98.3	Very high	96.4	Very high	8 Å²	8	69.5 Å²	69.5	3%	0.031	41%	0.411	C	S	.	.			trans	-87.8	-41.1	-169.6	-48.9	-64.2	0	0	0	113.6	A187 P188 G190 C194 G195 R200 V228 P230	A187-Y192 VanDerWaalsContact C-OH 3.29Å; A187-Y192 WeakPolarHBondContact CA-OH 3.25Å; A187-Y192 WeakPolarHBondContact CB-OH 3.23Å; A187-Y192 PolarHBondContact N-OH 3.07Å; A187-Y192 WeakPolarHBondContact O-CE2 3.45Å; A187-Y192 PolarHBondContact O-OH 3.48Å; P188-Y192 WeakPolarHBondContact O-CE2 3.29Å; G190-Y192 VanDerWaalsContact C-N 3.27Å; G190-Y192 PolarHBondContact O-N 3.1Å; Y192-C194 PolarHBondContact O-N 2.82Å; Y192-G195 PolarHBondContact O-N 2.89Å; Y192-R200 WeakPolarHBondContact CD1-O 3.35Å; Y192-V228 WeakPolarHBondContact CD2-O 3.4Å; Y192-P230 HydrophobicContact CD1-CB 3.78Å; Y192-P230 HydrophobicContact CD1-CG 4.37Å; Y192-P230 HydrophobicContact CD2-CB 4.18Å; Y192-P230 HydrophobicContact CD2-CG 3.98Å; Y192-P230 HydrophobicContact CE1-CB 3.83Å; Y192-P230 HydrophobicContact CE1-CG 4.17Å; Y192-P230 HydrophobicContact CE2-CB 4.22Å; Y192-P230 HydrophobicContact CE2-CG 3.75Å; Y192-P230 HydrophobicContact CG-CB 3.95Å; Y192-P230 HydrophobicContact CG-CG 4.27Å
193	Y	98.5	Very high	96.6	Very high	108 Å²	108	64.8 Å²	64.8	42%	0.424	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	122.6	-178.5	177.8	-100.5	0	0	0	110.7	G195 E227 V228	Y193-G195 PolarHBondContact O-N 2.7Å; Y193-E227 PolarHBondContact N-O 3.49Å; Y193-V228 HydrophobicContact CD2-CG2 3.99Å; Y193-V228 HydrophobicContact CG-CG2 4.33Å
194	C	98.5	Very high	97	Very high	77 Å²	77	60.6 Å²	60.6	52%	0.52	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	27.3	-173.4	-67.4	0	0	0	0	114.4	Y192 A226	Y192-C194 PolarHBondContact O-N 2.82Å; C194-A226 PolarHBondContact N-O 3.05Å
195	G	98.1	Very high	97.3	Very high	10 Å²	10	64.6 Å²	64.6	10%	0.103	38%	0.381	C	S	.	.			trans	-70.3	162.1	-175.9	0	0	0	0	0	114.1	Y192 Y193 V201 R204	Y192-G195 PolarHBondContact O-N 2.89Å; Y193-G195 PolarHBondContact O-N 2.7Å; G195-V201 VanDerWaalsContact C-CG2 3.42Å; G195-V201 WeakPolarHBondContact O-CG2 3.47Å; G195-R204 PolarHBondContact O-NH2 3.36Å
196	V	98.5	Very high	97.4	Very high	111 Å²	111	58.4 Å²	58.4	67%	0.673	35%	0.354	S	S	*	.			trans	-137.1	137.6	169.9	65.4	0	0	0	0	109.5	R200	V196-R200 PolarHBondContact O-NH1 2.8Å
197	G	97.7	Very high	97.6	Very high	32 Å²	32	57.3 Å²	57.3	33%	0.33	35%	0.347	S	S	.	.	S	Bend	trans	120.7	150	-176.2	0	0	0	0	0	112.8	D199 R200 V201	G197-D199 PolarHBondContact O-N 2.86Å; G197-R200 PolarHBondContact O-N 3.49Å; G197-R200 VanDerWaalsContact O-N 3.1Å; G197-V201 PolarHBondContact O-N 2.87Å
198	A	96.1	Very high	97.7	Very high	90 Å²	90	59.3 Å²	59.3	74%	0.744	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.1	-176.6	0	0	0	0	0	113.5
199	D	95.2	Very high	97.8	Very high	98 Å²	98	55.8 Å²	55.8	52%	0.524	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.2	175.6	61.6	-41.5	0	0	0	113.5	G197	G197-D199 PolarHBondContact O-N 2.86Å
200	R	96.7	Very high	97.8	Very high	96 Å²	96	53.5 Å²	53.5	36%	0.362	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-30.7	-174.1	-61.3	173.7	-163.1	112.6	17.2	113.3	P191 Y192 V196 G197	P191-R200 HydrophobicContact CB-CG 4.26Å; P191-R200 WeakPolarHBondContact O-CD 3.36Å; Y192-R200 WeakPolarHBondContact CD1-O 3.35Å; V196-R200 PolarHBondContact O-NH1 2.8Å; G197-R200 PolarHBondContact O-N 3.49Å; G197-R200 VanDerWaalsContact O-N 3.1Å
201	V	97.8	Very high	98	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.097	30%	0.299	C	S	.	.			trans	-117.4	114.9	-167.6	-176.2	0	0	0	0	111.1	G195 G197 R204 W233	G195-V201 VanDerWaalsContact C-CG2 3.42Å; G195-V201 WeakPolarHBondContact O-CG2 3.47Å; G197-V201 PolarHBondContact O-N 2.87Å; V201-R204 HydrophobicContact CG1-CB 3.86Å; V201-W233 HydrophobicContact CG1-CH2 3.32Å; V201-W233 HydrophobicContact CG1-CZ2 3.47Å; V201-W233 VanDerWaalsContact CG1-CZ2 3.47Å
202	F	97.4	Very high	98	Very high	23 Å²	23	59.6 Å²	59.6	10%	0.101	31%	0.314	C	S	.	.			trans	-114.9	115.8	-178.2	-50.8	-28	0	0	0	110.6	Y178 R179 P230 A231 W233	Y178-F202 HydrophobicContact CD1-CB 4.19Å; R179-F202 HydrophobicContact CB-CB 4.37Å; R179-F202 HydrophobicContact CB-CD2 4.41Å; R179-F202 HydrophobicContact CB-CG 4.19Å; F202-P230 HydrophobicContact CD2-CB 3.89Å; F202-P230 HydrophobicContact CE2-CB 3.63Å; F202-A231 HydrophobicContact CB-CB 4.12Å; F202-A231 HydrophobicContact CD2-CB 4.3Å; F202-W233 WeakPolarHBondContact O-CZ2 3.25Å; F202-W233 PolarHBondContact O-NE1 3.21Å
203	G	97.4	Very high	98	Very high	7 Å²	7	59.8 Å²	59.8	7%	0.072	32%	0.317	C	S	.	.			trans	91.3	19.4	173.4	0	0	0	0	0	116.1	D205 V206	G203-D205 PolarHBondContact O-N 2.77Å; G203-D205 VanDerWaalsContact O-N 3.1Å; G203-V206 WeakPolarHBondContact O-CB 3.2Å; G203-V206 PolarHBondContact O-N 2.92Å
204	R	98.6	Very high	98.1	Very high	84 Å²	84	54.6 Å²	54.6	32%	0.317	30%	0.296	S	S	.	.	H	α-helix	trans	-52.8	-33.5	178.5	-173.4	175.5	-64.6	-76	-2	113	G195 V201 V206 V207 E208 W233	G195-R204 PolarHBondContact O-NH2 3.36Å; V201-R204 HydrophobicContact CG1-CB 3.86Å; R204-V206 VanDerWaalsContact C-N 3.26Å; R204-V206 PolarHBondContact O-N 3.35Å; R204-V207 WeakPolarHBondContact O-CB 3.35Å; R204-V207 PolarHBondContact O-N 3.43Å; R204-E208 HydrophobicContact CG-CG 3.8Å; R204-E208 IonicContact NH1-OE1 2.87Å; R204-E208 WeakPolarHBondContact O-CG 3.19Å; R204-E208 PolarHBondContact O-N 2.91Å; R204-W233 HydrophobicContact CB-CH2 3.85Å; R204-W233 HydrophobicContact CB-CZ2 4.17Å; R204-W233 HydrophobicContact CG-CH2 4.16Å
205	D	98.1	Very high	98.1	Very high	105 Å²	105	55.3 Å²	55.3	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-57.2	-38.8	178.4	-56.2	-39.4	0	0	0	112.7	G203 V207 A209 F263	G203-D205 PolarHBondContact O-N 2.77Å; G203-D205 VanDerWaalsContact O-N 3.1Å; D205-V207 VanDerWaalsContact C-N 3.34Å; D205-A209 VanDerWaalsContact O-CB 3.23Å; D205-A209 WeakPolarHBondContact O-CB 3.37Å; D205-A209 PolarHBondContact O-N 3.04Å; D205-A209 VanDerWaalsContact O-N 3.09Å; D205-F263 HydrophobicContact CB-CE1 3.88Å; D205-F263 HydrophobicContact CB-CZ 4.14Å
206	V	98.6	Very high	98.1	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175.9	177.9	0	0	0	0	110.2	L170 G203 R204 H210 L256 V259 A260 F263 V265	L170-V206 HydrophobicContact CD1-CB 4.47Å; L170-V206 HydrophobicContact CD2-CG1 4.42Å; G203-V206 WeakPolarHBondContact O-CB 3.2Å; G203-V206 PolarHBondContact O-N 2.92Å; R204-V206 VanDerWaalsContact C-N 3.26Å; R204-V206 PolarHBondContact O-N 3.35Å; V206-H210 WeakPolarHBondContact O-CB 3.22Å; V206-H210 PolarHBondContact O-N 2.79Å; V206-L256 HydrophobicContact CG1-CD1 4.13Å; V206-V259 HydrophobicContact CG1-CG1 4.14Å; V206-A260 HydrophobicContact CG1-CB 4.36Å; V206-F263 HydrophobicContact CB-CD2 4.49Å; V206-F263 HydrophobicContact CG2-CB 3.91Å; V206-F263 HydrophobicContact CG2-CD2 3.78Å; V206-F263 HydrophobicContact CG2-CE2 4.49Å; V206-F263 HydrophobicContact CG2-CG 3.86Å; V206-V265 HydrophobicContact CG2-CG2 4.33Å
207	V	98.7	Very high	98.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-48.1	-177.1	-173.8	0	0	0	0	111	R204 D205 H210 Y211 T224 W233	R204-V207 WeakPolarHBondContact O-CB 3.35Å; R204-V207 PolarHBondContact O-N 3.43Å; D205-V207 VanDerWaalsContact C-N 3.34Å; V207-H210 PolarHBondContact O-N 3.2Å; V207-Y211 WeakPolarHBondContact O-CB 3.39Å; V207-Y211 PolarHBondContact O-N 3.12Å; V207-T224 HydrophobicContact CG1-CG2 4.23Å; V207-W233 HydrophobicContact CB-CE3 4.34Å; V207-W233 HydrophobicContact CB-CZ3 4.39Å; V207-W233 HydrophobicContact CG1-CE3 4.11Å; V207-W233 HydrophobicContact CG1-CZ3 4.28Å; V207-W233 HydrophobicContact CG2-CB 4.4Å; V207-W233 HydrophobicContact CG2-CD2 3.39Å; V207-W233 HydrophobicContact CG2-CE3 3.5Å; V207-W233 HydrophobicContact CG2-CG 3.8Å; V207-W233 HydrophobicContact CG2-CH2 4.06Å; V207-W233 HydrophobicContact CG2-CZ2 4.01Å; V207-W233 HydrophobicContact CG2-CZ3 3.84Å
208	E	98.8	Very high	98.2	Very high	102 Å²	102	53.5 Å²	53.5	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-41.3	-179.7	-61.7	-67.9	169.9	0	0	111.2	R204 R212	R204-E208 HydrophobicContact CG-CG 3.8Å; R204-E208 IonicContact NH1-OE1 2.87Å; R204-E208 WeakPolarHBondContact O-CG 3.19Å; R204-E208 PolarHBondContact O-N 2.91Å; E208-R212 WeakPolarHBondContact O-CB 3.47Å; E208-R212 PolarHBondContact O-N 2.75Å
209	A	98.8	Very high	98.3	Very high	36 Å²	36	49.4 Å²	49.4	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-44.4	175	0	0	0	0	0	111.6	D205 R212 A213 V259 F263	D205-A209 VanDerWaalsContact O-CB 3.23Å; D205-A209 WeakPolarHBondContact O-CB 3.37Å; D205-A209 PolarHBondContact O-N 3.04Å; D205-A209 VanDerWaalsContact O-N 3.09Å; A209-R212 PolarHBondContact O-N 2.9Å; A209-A213 VanDerWaalsContact O-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.17Å; A209-A213 PolarHBondContact O-N 3.3Å; A209-V259 HydrophobicContact CB-CG1 3.8Å; A209-F263 HydrophobicContact CB-CE2 3.95Å; A209-F263 HydrophobicContact CB-CZ 4.28Å
210	H	98.9	Very high	98.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-51	176.1	175.1	-118.5	0	0	0	111.5	V206 V207 R212 A213 L214 F235 A252 L256	V206-H210 WeakPolarHBondContact O-CB 3.22Å; V206-H210 PolarHBondContact O-N 2.79Å; V207-H210 PolarHBondContact O-N 3.2Å; H210-R212 VanDerWaalsContact C-N 3.34Å; H210-R212 PolarHBondContact O-N 2.97Å; H210-A213 WeakPolarHBondContact O-CB 3.42Å; H210-A213 PolarHBondContact O-N 3Å; H210-A213 VanDerWaalsContact O-N 3.1Å; H210-L214 WeakPolarHBondContact CE1-CD1 3.42Å; H210-L214 WeakPolarHBondContact NE2-CD1 3.25Å; H210-L214 WeakPolarHBondContact O-CG 3.43Å; H210-L214 PolarHBondContact O-N 3.49Å; H210-F235 AromaticContact CE1-CD1 3.67Å; H210-F235 AromaticContact CE1-CE1 3.84Å; H210-F235 AromaticContact CE1-CG 3.81Å; H210-A252 PolarHBondContact NE2-O 2.99Å; H210-L256 HydrophobicContact CB-CD1 4.3Å; H210-L256 VanDerWaalsContact CD2-CA 3.46Å; H210-L256 WeakPolarHBondContact CD2-CA 3.45Å; H210-L256 PolarHBondContact CD2-N 3.21Å
211	Y	98.9	Very high	98.6	Very high	61 Å²	61	44.9 Å²	44.9	24%	0.239	22%	0.223	C	C	.	.	H	α-helix	trans	-55	-51.1	178.5	-160.4	-25.4	0	0	0	110.5	V207 A213 L214 L215 I221 T224	V207-Y211 WeakPolarHBondContact O-CB 3.39Å; V207-Y211 PolarHBondContact O-N 3.12Å; Y211-A213 VanDerWaalsContact C-N 3.3Å; Y211-A213 PolarHBondContact O-N 3.17Å; Y211-L214 PolarHBondContact O-N 3.29Å; Y211-L215 HydrophobicContact CD1-CD1 3.8Å; Y211-L215 HydrophobicContact CD1-CG 3.88Å; Y211-L215 HydrophobicContact CE1-CD1 3.86Å; Y211-L215 HydrophobicContact CE1-CD2 4.17Å; Y211-L215 HydrophobicContact CE1-CG 3.95Å; Y211-L215 PolarHBondContact O-N 2.94Å; Y211-I221 HydrophobicContact CD1-CD1 3.57Å; Y211-I221 HydrophobicContact CD1-CG1 4.05Å; Y211-I221 HydrophobicContact CD1-CG2 3.84Å; Y211-I221 HydrophobicContact CD2-CD1 4.22Å; Y211-I221 HydrophobicContact CE1-CB 4.33Å; Y211-I221 HydrophobicContact CE1-CD1 3.8Å; Y211-I221 HydrophobicContact CE1-CG1 3.77Å; Y211-I221 HydrophobicContact CE1-CG2 3.61Å; Y211-I221 HydrophobicContact CE2-CD1 4.41Å; Y211-I221 HydrophobicContact CG-CD1 3.79Å; Y211-T224 HydrophobicContact CD2-CG2 3.52Å; Y211-T224 HydrophobicContact CE2-CG2 3.9Å; Y211-T224 HydrophobicContact CG-CG2 4.22Å
212	R	98.9	Very high	98.6	Very high	185 Å²	185	47.2 Å²	47.2	70%	0.698	24%	0.244	S	C	*	.	H	α-helix	trans	-60.6	-39.5	179.2	-169.9	61.7	160.9	144.1	-1.5	112.4	E208 A209 H210 L215 Y216	E208-R212 WeakPolarHBondContact O-CB 3.47Å; E208-R212 PolarHBondContact O-N 2.75Å; A209-R212 PolarHBondContact O-N 2.9Å; H210-R212 VanDerWaalsContact C-N 3.34Å; H210-R212 PolarHBondContact O-N 2.97Å; R212-L215 PolarHBondContact O-N 3.33Å; R212-Y216 PolarHBondContact O-N 2.87Å
213	A	98.9	Very high	98.7	Very high	11 Å²	11	46.6 Å²	46.6	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-41.9	176.4	0	0	0	0	0	112.1	P101 A209 H210 Y211 Y216 A217 I255 V259	P101-A213 HydrophobicContact CB-CB 3.7Å; P101-A213 HydrophobicContact CG-CB 3.91Å; A209-A213 VanDerWaalsContact O-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.17Å; A209-A213 PolarHBondContact O-N 3.3Å; H210-A213 WeakPolarHBondContact O-CB 3.42Å; H210-A213 PolarHBondContact O-N 3Å; H210-A213 VanDerWaalsContact O-N 3.1Å; Y211-A213 VanDerWaalsContact C-N 3.3Å; Y211-A213 PolarHBondContact O-N 3.17Å; A213-Y216 PolarHBondContact O-N 3.49Å; A213-A217 VanDerWaalsContact O-CB 3.32Å; A213-A217 WeakPolarHBondContact O-CB 3.44Å; A213-A217 PolarHBondContact O-N 2.8Å; A213-I255 HydrophobicContact CB-CG2 3.64Å; A213-V259 HydrophobicContact CB-CG2 4.48Å
214	L	98.9	Very high	98.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-45	176.1	-64.6	-173.3	0	0	0	112	H210 Y211 Y216 A217 G218 I219 I221 I237 A252 I255	H210-L214 WeakPolarHBondContact CE1-CD1 3.42Å; H210-L214 WeakPolarHBondContact NE2-CD1 3.25Å; H210-L214 WeakPolarHBondContact O-CG 3.43Å; H210-L214 PolarHBondContact O-N 3.49Å; Y211-L214 PolarHBondContact O-N 3.29Å; L214-Y216 VanDerWaalsContact C-N 3.33Å; L214-Y216 PolarHBondContact O-N 3.31Å; L214-A217 PolarHBondContact O-N 3.34Å; L214-G218 PolarHBondContact O-N 3.05Å; L214-G218 VanDerWaalsContact O-N 3.15Å; L214-I219 HydrophobicContact CB-CB 4.17Å; L214-I219 HydrophobicContact CB-CG2 4.37Å; L214-I219 HydrophobicContact CD1-CG2 4.49Å; L214-I219 HydrophobicContact CD2-CB 4.23Å; L214-I219 HydrophobicContact CD2-CD1 3.62Å; L214-I219 HydrophobicContact CD2-CG2 4.18Å; L214-I219 PolarHBondContact O-N 3.29Å; L214-I221 HydrophobicContact CB-CB 4.25Å; L214-I221 HydrophobicContact CB-CG2 3.85Å; L214-I221 HydrophobicContact CD1-CB 4.03Å; L214-I221 HydrophobicContact CD1-CD1 3.58Å; L214-I221 HydrophobicContact CD1-CG1 4.34Å; L214-I237 HydrophobicContact CD1-CD1 4.43Å; L214-A252 HydrophobicContact CD1-CB 4.09Å; L214-A252 HydrophobicContact CD2-CB 3.86Å; L214-I255 HydrophobicContact CD2-CB 3.95Å; L214-I255 HydrophobicContact CD2-CD1 3.76Å; L214-I255 HydrophobicContact CD2-CG1 4.46Å; L214-I255 HydrophobicContact CD2-CG2 3.98Å
215	L	98.9	Very high	98.8	Very high	92 Å²	92	45.6 Å²	45.6	48%	0.482	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-44.2	175.1	-71.7	172.8	0	0	0	111.6	Y211 R212 G218 I221	Y211-L215 HydrophobicContact CD1-CD1 3.8Å; Y211-L215 HydrophobicContact CD1-CG 3.88Å; Y211-L215 HydrophobicContact CE1-CD1 3.86Å; Y211-L215 HydrophobicContact CE1-CD2 4.17Å; Y211-L215 HydrophobicContact CE1-CG 3.95Å; Y211-L215 PolarHBondContact O-N 2.94Å; R212-L215 PolarHBondContact O-N 3.33Å; L215-G218 PolarHBondContact O-N 3.02Å; L215-I221 HydrophobicContact CD2-CG2 3.83Å; L215-I221 HydrophobicContact CG-CG2 4.05Å
216	Y	98.9	Very high	98.8	Very high	63 Å²	63	41 Å²	41	25%	0.247	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-44.7	177.1	-178.3	-84	0	0	0	111.9	R99 D100 P101 D105 R212 A213 L214 G218	R99-Y216 HydrophobicContact CB-CD1 4.16Å; R99-Y216 HydrophobicContact CB-CE1 3.84Å; R99-Y216 VanDerWaalsContact CZ-CZ 3.47Å; R99-Y216 PolarHBondContact NH1-O 3.19Å; R99-Y216 PolarHBondContact NH2-OH 3.38Å; D100-Y216 WeakPolarHBondContact O-CE1 3.39Å; P101-Y216 HydrophobicContact CB-CD1 3.99Å; D105-Y216 PolarHBondContact N-OH 3.41Å; D105-Y216 PolarHBondContact OD1-OH 3.02Å; D105-Y216 PolarHBondContact OD2-OH 2.79Å; R212-Y216 PolarHBondContact O-N 2.87Å; A213-Y216 PolarHBondContact O-N 3.49Å; L214-Y216 VanDerWaalsContact C-N 3.33Å; L214-Y216 PolarHBondContact O-N 3.31Å; Y216-G218 PolarHBondContact O-N 3.3Å
217	A	98.8	Very high	98.8	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-20.6	-179	0	0	0	0	0	113.3	F98 R99 A213 L214 I219 I255	F98-A217 HydrophobicContact CB-CB 4.46Å; R99-A217 PolarHBondContact N-O 2.78Å; R99-A217 WeakPolarHBondContact O-CA 3.43Å; R99-A217 WeakPolarHBondContact O-CB 2.97Å; A213-A217 VanDerWaalsContact O-CB 3.32Å; A213-A217 WeakPolarHBondContact O-CB 3.44Å; A213-A217 PolarHBondContact O-N 2.8Å; L214-A217 PolarHBondContact O-N 3.34Å; A217-I219 HydrophobicContact CB-CD1 4.4Å; A217-I219 HydrophobicContact CB-CG1 4.3Å; A217-I255 HydrophobicContact CB-CD1 3.94Å
218	G	98.6	Very high	98.7	Very high	48 Å²	48	42.7 Å²	42.7	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	18.1	-173	0	0	0	0	0	113.1	L214 L215 Y216	L214-G218 PolarHBondContact O-N 3.05Å; L214-G218 VanDerWaalsContact O-N 3.15Å; L215-G218 PolarHBondContact O-N 3.02Å; Y216-G218 PolarHBondContact O-N 3.3Å
219	I	98.9	Very high	98.7	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.208	C	C	.	.			trans	-77.2	129.9	174.3	-70	175.6	0	0	0	109	F98 L214 A217 I221 I237 H248 M251 A252 I255	F98-I219 HydrophobicContact CD1-CG1 3.75Å; F98-I219 HydrophobicContact CE1-CG1 3.81Å; L214-I219 HydrophobicContact CB-CB 4.17Å; L214-I219 HydrophobicContact CB-CG2 4.37Å; L214-I219 HydrophobicContact CD1-CG2 4.49Å; L214-I219 HydrophobicContact CD2-CB 4.23Å; L214-I219 HydrophobicContact CD2-CD1 3.62Å; L214-I219 HydrophobicContact CD2-CG2 4.18Å; L214-I219 PolarHBondContact O-N 3.29Å; A217-I219 HydrophobicContact CB-CD1 4.4Å; A217-I219 HydrophobicContact CB-CG1 4.3Å; I219-I221 PolarHBondContact O-N 3.47Å; I219-I237 HydrophobicContact CG2-CD1 3.65Å; I219-H248 HydrophobicContact CG2-CB 4.41Å; I219-M251 HydrophobicContact CD1-CB 3.75Å; I219-A252 HydrophobicContact CD1-CB 4.47Å; I219-A252 HydrophobicContact CG2-CB 4.26Å; I219-I255 HydrophobicContact CD1-CD1 3.6Å
220	K	98.7	Very high	98.6	Very high	82 Å²	82	36.2 Å²	36.2	36%	0.357	20%	0.195	S	C	.	.			trans	-65	64.3	174.2	-68.3	174.8	171.7	177.5	0	113.3	I237 G238 C240 E244 H248	K220-I237 CarbonylContact O-C 3.19Å; K220-I237 WeakPolarHBondContact O-CA 3.46Å; K220-G238 PolarHBondContact O-N 3.07Å; K220-C240 VanDerWaalsContact CD-SG 3.53Å; K220-E244 IonicContact NZ-OE1 2.66Å; K220-E244 PolarHBondContact NZ-OE1 3.03Å; K220-E244 IonicContact NZ-OE2 3.95Å; K220-E244 PolarHBondContact NZ-OE2 3.39Å; K220-H248 PolarHBondContact N-CE1 2.88Å; K220-H248 PolarHBondContact N-ND1 3.19Å
221	I	98.9	Very high	98.6	Very high	17 Å²	17	36.4 Å²	36.4	9%	0.087	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128	167.3	177.8	158.7	0	0	0	110	Y211 L214 L215 I219 T224 F235 Q236 I237	Y211-I221 HydrophobicContact CD1-CD1 3.57Å; Y211-I221 HydrophobicContact CD1-CG1 4.05Å; Y211-I221 HydrophobicContact CD1-CG2 3.84Å; Y211-I221 HydrophobicContact CD2-CD1 4.22Å; Y211-I221 HydrophobicContact CE1-CB 4.33Å; Y211-I221 HydrophobicContact CE1-CD1 3.8Å; Y211-I221 HydrophobicContact CE1-CG1 3.77Å; Y211-I221 HydrophobicContact CE1-CG2 3.61Å; Y211-I221 HydrophobicContact CE2-CD1 4.41Å; Y211-I221 HydrophobicContact CG-CD1 3.79Å; L214-I221 HydrophobicContact CB-CB 4.25Å; L214-I221 HydrophobicContact CB-CG2 3.85Å; L214-I221 HydrophobicContact CD1-CB 4.03Å; L214-I221 HydrophobicContact CD1-CD1 3.58Å; L214-I221 HydrophobicContact CD1-CG1 4.34Å; L215-I221 HydrophobicContact CD2-CG2 3.83Å; L215-I221 HydrophobicContact CG-CG2 4.05Å; I219-I221 PolarHBondContact O-N 3.47Å; I221-T224 HydrophobicContact CD1-CG2 3.91Å; I221-F235 HydrophobicContact CD1-CB 4.24Å; I221-Q236 CarbonylContact C-O 3.58Å; I221-Q236 WeakPolarHBondContact CA-O 3.5Å; I221-I237 HydrophobicContact CB-CD1 4.38Å
222	A	98.7	Very high	98.6	Very high	64 Å²	64	33.6 Å²	33.6	53%	0.529	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-28.6	179.1	0	0	0	0	0	113	Q236	A222-Q236 HydrophobicContact CB-CB 4.1Å; A222-Q236 PolarHBondContact N-O 2.93Å
223	G	98.7	Very high	98.6	Very high	11 Å²	11	25 Å²	25	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-177.4	-176.4	0	0	0	0	0	113.5	F235 Q236	G223-F235 WeakPolarHBondContact O-CA 3.36Å; G223-Q236 PolarHBondContact O-N 3.5Å; G223-Q236 PolarHBondContact O-OE1 3.02Å; G223-Q236 VanDerWaalsContact O-OE1 3.08Å
224	T	98.8	Very high	98.6	Very high	41 Å²	41	25 Å²	25	25%	0.252	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.1	174.1	62.8	0	0	0	0	111	V207 Y211 I221 E234 F235	V207-T224 HydrophobicContact CG1-CG2 4.23Å; Y211-T224 HydrophobicContact CD2-CG2 3.52Å; Y211-T224 HydrophobicContact CE2-CG2 3.9Å; Y211-T224 HydrophobicContact CG-CG2 4.22Å; I221-T224 HydrophobicContact CD1-CG2 3.91Å; T224-E234 WeakPolarHBondContact CA-O 3.47Å; T224-E234 WeakPolarHBondContact CB-O 3.47Å; T224-F235 HydrophobicContact CG2-CB 3.86Å
225	N	98.8	Very high	98.6	Very high	29 Å²	29	25 Å²	25	16%	0.155	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.1	171.3	45.2	-74.3	0	0	0	111.3	E227 E234 Q236	N225-E227 PolarHBondContact ND2-OE1 2.83Å; N225-E234 PolarHBondContact N-O 3.34Å; N225-E234 VanDerWaalsContact N-O 3.12Å; N225-E234 PolarHBondContact ND2-OE2 3.48Å; N225-E234 PolarHBondContact O-N 2.85Å; N225-Q236 PolarHBondContact OD1-NE2 3.14Å
226	A	98.7	Very high	98.6	Very high	7 Å²	7	22.3 Å²	22.3	6%	0.058	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.3	163.4	0	0	0	0	0	108.4	C194 W233	C194-A226 PolarHBondContact N-O 3.05Å; A226-W233 VanDerWaalsContact CA-CE3 3.47Å; A226-W233 HydrophobicContact CB-CD2 4.46Å; A226-W233 HydrophobicContact CB-CE3 3.83Å; A226-W233 HydrophobicContact CB-CH2 4.09Å; A226-W233 HydrophobicContact CB-CZ3 3.63Å
227	E	98.4	Very high	98.6	Very high	15 Å²	15	19.5 Å²	19.5	7%	0.07	13%	0.125	C	C	.	.			trans	-87.4	177	-177.1	-102.7	-54.1	126.9	0	0	112.6	E167 Y193 N225 Q232 E234	E167-E227 HydrophobicContact CG-CG 4.17Å; Y193-E227 PolarHBondContact N-O 3.49Å; N225-E227 PolarHBondContact ND2-OE1 2.83Å; E227-Q232 HydrophobicContact CB-CB 3.79Å; E227-Q232 HydrophobicContact CB-CG 3.61Å; E227-Q232 HydrophobicContact CG-CG 4.28Å; E227-Q232 PolarHBondContact N-O 2.83Å; E227-E234 HydrophobicContact CG-CB 4.16Å
228	V	97.7	Very high	98.5	Very high	25 Å²	25	20 Å²	20	15%	0.152	13%	0.131	C	C	.	.	S	Bend	trans	-65.1	-39.3	-174	179.4	0	0	0	0	112.8	Q189 Y192 Y193 N279	Q189-V228 HydrophobicContact CB-CG1 3.97Å; Q189-V228 HydrophobicContact CG-CG1 4.36Å; Y192-V228 WeakPolarHBondContact CD2-O 3.4Å; Y193-V228 HydrophobicContact CD2-CG2 3.99Å; Y193-V228 HydrophobicContact CG-CG2 4.33Å; V228-N279 HydrophobicContact CB-CB 4.23Å; V228-N279 WeakPolarHBondContact CB-ND2 3.43Å
229	M	97.9	Very high	98.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.133	C	C	.	.	S	Bend	trans	-79	134.2	176.1	-171.5	-177.9	84.5	0	0	109.8	T169 W180 A231 Q232 P273 V274 W278 N279	T169-M229 HydrophobicContact CG2-CE 3.3Å; T169-M229 WeakPolarHBondContact OG1-CE 3.26Å; W180-M229 HydrophobicContact CH2-CG 4.39Å; W180-M229 HydrophobicContact CH2-SD 4.37Å; W180-M229 HydrophobicContact CZ2-CG 3.83Å; W180-M229 HydrophobicContact CZ2-SD 4.12Å; M229-A231 PolarHBondContact O-N 3.29Å; M229-Q232 HydrophobicContact CB-CB 3.85Å; M229-Q232 HydrophobicContact CE-CB 4.28Å; M229-Q232 WeakPolarHBondContact O-CA 3.39Å; M229-Q232 WeakPolarHBondContact O-CB 3.36Å; M229-Q232 PolarHBondContact O-N 3.2Å; M229-P273 HydrophobicContact CE-CG 3.88Å; M229-P273 HydrophobicContact SD-CG 4.31Å; M229-V274 HydrophobicContact CE-CG2 4.27Å; M229-V274 HydrophobicContact SD-CB 4.2Å; M229-V274 HydrophobicContact SD-CG2 3.92Å; M229-W278 HydrophobicContact CG-CB 4.27Å; M229-W278 HydrophobicContact CG-CE3 4.03Å; M229-W278 HydrophobicContact SD-CB 3.89Å; M229-N279 HydrophobicContact CB-CB 4.38Å
230	P	97.9	Very high	98.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	136.7	175.7	19.2	-25.4	0	0	0	111	W180 P186 Y192 F202 Q232 W278	W180-P230 HydrophobicContact CZ2-CG 3.68Å; W180-P230 PolarHBondContact NE1-O 3.09Å; P186-P230 HydrophobicContact CB-CG 4.25Å; P186-P230 HydrophobicContact CG-CB 4.39Å; P186-P230 HydrophobicContact CG-CG 3.47Å; P186-P230 VanDerWaalsContact CG-CG 3.47Å; Y192-P230 HydrophobicContact CD1-CB 3.78Å; Y192-P230 HydrophobicContact CD1-CG 4.37Å; Y192-P230 HydrophobicContact CD2-CB 4.18Å; Y192-P230 HydrophobicContact CD2-CG 3.98Å; Y192-P230 HydrophobicContact CE1-CB 3.83Å; Y192-P230 HydrophobicContact CE1-CG 4.17Å; Y192-P230 HydrophobicContact CE2-CB 4.22Å; Y192-P230 HydrophobicContact CE2-CG 3.75Å; Y192-P230 HydrophobicContact CG-CB 3.95Å; Y192-P230 HydrophobicContact CG-CG 4.27Å; F202-P230 HydrophobicContact CD2-CB 3.89Å; F202-P230 HydrophobicContact CE2-CB 3.63Å; P230-Q232 PolarHBondContact O-N 3.23Å; P230-W278 HydrophobicContact CG-CZ3 3.99Å
231	A	98.1	Very high	98.4	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	5.2	-169.8	0	0	0	0	0	115.8	L170 F202 M229	L170-A231 HydrophobicContact CB-CB 4.45Å; L170-A231 PolarHBondContact N-O 3.34Å; F202-A231 HydrophobicContact CB-CB 4.12Å; F202-A231 HydrophobicContact CD2-CB 4.3Å; M229-A231 PolarHBondContact O-N 3.29Å
232	Q	98.7	Very high	98.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.6	167	-165.6	-178.3	3.1	0	0	110.4	E167 Y168 E227 M229 P230 G280	E167-Q232 PolarHBondContact OE2-NE2 3.09Å; Y168-Q232 WeakPolarHBondContact O-CA 3.38Å; Y168-Q232 VanDerWaalsContact O-CG 3.26Å; Y168-Q232 WeakPolarHBondContact O-CG 3.4Å; E227-Q232 HydrophobicContact CB-CB 3.79Å; E227-Q232 HydrophobicContact CB-CG 3.61Å; E227-Q232 HydrophobicContact CG-CG 4.28Å; E227-Q232 PolarHBondContact N-O 2.83Å; M229-Q232 HydrophobicContact CB-CB 3.85Å; M229-Q232 HydrophobicContact CE-CB 4.28Å; M229-Q232 WeakPolarHBondContact O-CA 3.39Å; M229-Q232 WeakPolarHBondContact O-CB 3.36Å; M229-Q232 PolarHBondContact O-N 3.2Å; P230-Q232 PolarHBondContact O-N 3.23Å; Q232-G280 PolarHBondContact NE2-O 3.04Å
233	W	98.9	Very high	98.4	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.4	-175.6	-67.1	93.4	0	0	0	110.5	E167 Y168 V201 F202 R204 V207 A226	E167-W233 CarbonylContact C-O 3.44Å; E167-W233 WeakPolarHBondContact CA-O 3.27Å; Y168-W233 HydrophobicContact CD1-CB 4.29Å; Y168-W233 VanDerWaalsContact CD1-O 3.27Å; Y168-W233 WeakPolarHBondContact CD1-O 3.48Å; Y168-W233 HydrophobicContact CD2-CB 4.5Å; Y168-W233 HydrophobicContact CE1-CB 3.59Å; Y168-W233 HydrophobicContact CE2-CB 3.88Å; Y168-W233 HydrophobicContact CE2-CG 4.49Å; Y168-W233 PolarHBondContact N-O 2.78Å; Y168-W233 PolarHBondContact O-N 3.15Å; V201-W233 HydrophobicContact CG1-CH2 3.32Å; V201-W233 HydrophobicContact CG1-CZ2 3.47Å; V201-W233 VanDerWaalsContact CG1-CZ2 3.47Å; F202-W233 WeakPolarHBondContact O-CZ2 3.25Å; F202-W233 PolarHBondContact O-NE1 3.21Å; R204-W233 HydrophobicContact CB-CH2 3.85Å; R204-W233 HydrophobicContact CB-CZ2 4.17Å; R204-W233 HydrophobicContact CG-CH2 4.16Å; V207-W233 HydrophobicContact CB-CE3 4.34Å; V207-W233 HydrophobicContact CB-CZ3 4.39Å; V207-W233 HydrophobicContact CG1-CE3 4.11Å; V207-W233 HydrophobicContact CG1-CZ3 4.28Å; V207-W233 HydrophobicContact CG2-CB 4.4Å; V207-W233 HydrophobicContact CG2-CD2 3.39Å; V207-W233 HydrophobicContact CG2-CE3 3.5Å; V207-W233 HydrophobicContact CG2-CG 3.8Å; V207-W233 HydrophobicContact CG2-CH2 4.06Å; V207-W233 HydrophobicContact CG2-CZ2 4.01Å; V207-W233 HydrophobicContact CG2-CZ3 3.84Å; A226-W233 VanDerWaalsContact CA-CE3 3.47Å; A226-W233 HydrophobicContact CB-CD2 4.46Å; A226-W233 HydrophobicContact CB-CE3 3.83Å; A226-W233 HydrophobicContact CB-CH2 4.09Å; A226-W233 HydrophobicContact CB-CZ3 3.63Å
234	E	98.9	Very high	98.4	Very high	10 Å²	10	21.5 Å²	21.5	5%	0.047	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.1	176.7	-165.3	-170.1	133.2	0	0	110.8	E165 Q166 E167 T224 N225 E227 Q236	E165-E234 HydrophobicContact CB-CG 4.46Å; E165-E234 VanDerWaalsContact CB-OE1 3.25Å; E165-E234 WeakPolarHBondContact CB-OE1 3.48Å; E165-E234 WeakPolarHBondContact CG-OE1 3.44Å; Q166-E234 VanDerWaalsContact O-CA 3.29Å; Q166-E234 WeakPolarHBondContact O-CA 3.15Å; E167-E234 HydrophobicContact CG-CB 4.27Å; E167-E234 HydrophobicContact CG-CG 3.89Å; T224-E234 WeakPolarHBondContact CA-O 3.47Å; T224-E234 WeakPolarHBondContact CB-O 3.47Å; N225-E234 PolarHBondContact N-O 3.34Å; N225-E234 VanDerWaalsContact N-O 3.12Å; N225-E234 PolarHBondContact ND2-OE2 3.48Å; N225-E234 PolarHBondContact O-N 2.85Å; E227-E234 HydrophobicContact CG-CB 4.16Å; E234-Q236 VanDerWaalsContact CD-NE2 3.26Å; E234-Q236 WeakPolarHBondContact OE1-CG 3.36Å; E234-Q236 PolarHBondContact OE1-NE2 2.77Å
235	F	98.9	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.9	161.9	66.8	-90.9	0	0	0	110.2	Q166 Y168 H210 I221 G223 T224 I237 L249 A252 L256	Q166-F235 HydrophobicContact CB-CD1 4.12Å; Q166-F235 HydrophobicContact CB-CD2 4.2Å; Q166-F235 HydrophobicContact CB-CE1 3.72Å; Q166-F235 HydrophobicContact CB-CE2 3.81Å; Q166-F235 HydrophobicContact CB-CG 4.35Å; Q166-F235 HydrophobicContact CB-CZ 3.57Å; Q166-F235 HydrophobicContact CG-CD1 4.17Å; Q166-F235 HydrophobicContact CG-CE1 3.4Å; Q166-F235 HydrophobicContact CG-CE2 4.19Å; Q166-F235 HydrophobicContact CG-CZ 3.42Å; Q166-F235 VanDerWaalsContact CG-CZ 3.42Å; Q166-F235 PolarHBondContact N-O 2.92Å; Q166-F235 PolarHBondContact O-N 3.32Å; Y168-F235 HydrophobicContact CD1-CD1 4.01Å; Y168-F235 HydrophobicContact CD1-CE1 4.14Å; Y168-F235 AromaticContact CE1-CD1 3.65Å; Y168-F235 HydrophobicContact CE1-CD1 3.65Å; Y168-F235 HydrophobicContact CE1-CE1 4.15Å; H210-F235 AromaticContact CE1-CD1 3.67Å; H210-F235 AromaticContact CE1-CE1 3.84Å; H210-F235 AromaticContact CE1-CG 3.81Å; I221-F235 HydrophobicContact CD1-CB 4.24Å; G223-F235 WeakPolarHBondContact O-CA 3.36Å; T224-F235 HydrophobicContact CG2-CB 3.86Å; F235-I237 HydrophobicContact CD2-CD1 3.97Å; F235-I237 HydrophobicContact CD2-CG1 3.94Å; F235-I237 HydrophobicContact CE2-CD1 4Å; F235-I237 HydrophobicContact CE2-CG1 3.75Å; F235-L249 HydrophobicContact CE2-CD1 3.71Å; F235-L249 HydrophobicContact CZ-CD1 3.98Å; F235-A252 HydrophobicContact CD2-CB 4.48Å; F235-A252 HydrophobicContact CE2-CB 3.59Å; F235-A252 HydrophobicContact CZ-CB 4.04Å; F235-L256 HydrophobicContact CD1-CD2 4.49Å; F235-L256 HydrophobicContact CE1-CD2 3.81Å
236	Q	98.9	Very high	98.4	Very high	37 Å²	37	18.3 Å²	18.3	17%	0.173	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.7	-179.4	-57.3	85	44.4	0	0	110.5	I164 E165 I221 A222 G223 N225 E234	I164-Q236 WeakPolarHBondContact O-CA 3.39Å; E165-Q236 HydrophobicContact CB-CG 4.47Å; E165-Q236 HydrophobicContact CG-CG 3.86Å; I221-Q236 CarbonylContact C-O 3.58Å; I221-Q236 WeakPolarHBondContact CA-O 3.5Å; A222-Q236 HydrophobicContact CB-CB 4.1Å; A222-Q236 PolarHBondContact N-O 2.93Å; G223-Q236 PolarHBondContact O-N 3.5Å; G223-Q236 PolarHBondContact O-OE1 3.02Å; G223-Q236 VanDerWaalsContact O-OE1 3.08Å; N225-Q236 PolarHBondContact OD1-NE2 3.14Å; E234-Q236 VanDerWaalsContact CD-NE2 3.26Å; E234-Q236 WeakPolarHBondContact OE1-CG 3.36Å; E234-Q236 PolarHBondContact OE1-NE2 2.77Å
237	I	98.9	Very high	98.4	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.1	170.2	-63.2	-57.8	0	0	0	108.7	G163 I164 L214 I219 K220 I221 F235 H248 L249 A252	G163-I237 CarbonylContact C-O 3.56Å; G163-I237 WeakPolarHBondContact CA-O 3.37Å; I164-I237 PolarHBondContact N-O 3.32Å; I164-I237 PolarHBondContact O-N 2.89Å; L214-I237 HydrophobicContact CD1-CD1 4.43Å; I219-I237 HydrophobicContact CG2-CD1 3.65Å; K220-I237 CarbonylContact O-C 3.19Å; K220-I237 WeakPolarHBondContact O-CA 3.46Å; I221-I237 HydrophobicContact CB-CD1 4.38Å; F235-I237 HydrophobicContact CD2-CD1 3.97Å; F235-I237 HydrophobicContact CD2-CG1 3.94Å; F235-I237 HydrophobicContact CE2-CD1 4Å; F235-I237 HydrophobicContact CE2-CG1 3.75Å; I237-H248 HydrophobicContact CG2-CB 3.66Å; I237-L249 HydrophobicContact CG1-CD1 3.88Å; I237-A252 HydrophobicContact CD1-CB 3.75Å; I237-A252 HydrophobicContact CG1-CB 4.15Å
238	G	96.3	Very high	98.4	Very high	14 Å²	14	18.5 Å²	18.5	14%	0.144	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.6	178.1	176.6	0	0	0	0	0	113.3	K220	K220-G238 PolarHBondContact O-N 3.07Å
239	T	98.2	Very high	98.5	Very high	88 Å²	88	17.3 Å²	17.3	54%	0.54	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-74.9	130.9	-8.3	-53.5	0	0	0	0	110.8	W161	W161-T239 HydrophobicContact CB-CG2 3.66Å; W161-T239 HydrophobicContact CD2-CG2 3.73Å; W161-T239 HydrophobicContact CE3-CG2 3.57Å; W161-T239 HydrophobicContact CG-CG2 3.81Å; W161-T239 HydrophobicContact CZ3-CG2 4.43Å
240	C	98.6	Very high	98.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140	-179.7	-65	0	0	0	0	111.2	W161 F162 K220 E244 A245	W161-C240 CarbonylContact C-O 3.44Å; W161-C240 WeakPolarHBondContact CA-O 3.45Å; F162-C240 PolarHBondContact N-O 3.13Å; F162-C240 PolarHBondContact O-N 3.31Å; K220-C240 VanDerWaalsContact CD-SG 3.53Å; C240-E244 WeakPolarHBondContact CA-OE1 3.42Å; C240-E244 HydrophobicContact CB-CG 4Å; C240-A245 VanDerWaalsContact CB-CA 3.41Å; C240-A245 HydrophobicContact CB-CB 3.66Å
241	E	98.6	Very high	98.6	Very high	85 Å²	85	17.2 Å²	17.2	40%	0.397	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.7	178.5	-174.9	173.9	143.2	0	0	112.5	P160 W161 I243 E244	P160-E241 CarbonylContact O-C 3.52Å; P160-E241 WeakPolarHBondContact O-CA 3.44Å; W161-E241 PolarHBondContact NE1-OE2 3.49Å; E241-I243 PolarHBondContact O-N 3.05Å; E241-E244 PolarHBondContact N-OE1 3.23Å; E241-E244 WeakPolarHBondContact O-CG 3.45Å; E241-E244 PolarHBondContact O-N 3.41Å
242	G	98.5	Very high	98.6	Very high	6 Å²	6	17 Å²	17	6%	0.062	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-129.5	173.9	0	0	0	0	0	113.8	M152 P160 E244 A245	M152-G242 VanDerWaalsContact SD-CA 3.52Å; P160-G242 PolarHBondContact O-N 3.35Å; G242-E244 VanDerWaalsContact C-N 3.27Å; G242-E244 PolarHBondContact O-N 3.19Å; G242-A245 PolarHBondContact O-N 2.91Å
243	I	98.6	Very high	98.6	Very high	27 Å²	27	17.1 Å²	17.1	14%	0.138	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.4	-171.4	-161.4	63.1	0	0	0	113.7	R145 C148 F149 M152 E241 A245 A246 D247 Y380	R145-I243 HydrophobicContact CG-CD1 4.06Å; R145-I243 HydrophobicContact CG-CG1 4.4Å; C148-I243 HydrophobicContact CB-CD1 4.01Å; C148-I243 VanDerWaalsContact SG-CD1 3.59Å; F149-I243 HydrophobicContact CB-CD1 4.19Å; F149-I243 HydrophobicContact CB-CG1 4.43Å; F149-I243 HydrophobicContact CD2-CB 4.38Å; F149-I243 HydrophobicContact CD2-CG1 4.24Å; F149-I243 HydrophobicContact CD2-CG2 4.27Å; M152-I243 HydrophobicContact CG-CB 4.45Å; E241-I243 PolarHBondContact O-N 3.05Å; I243-A245 PolarHBondContact O-N 3.46Å; I243-A246 PolarHBondContact O-N 2.86Å; I243-D247 PolarHBondContact O-N 2.91Å; I243-Y380 HydrophobicContact CD1-CD1 3.78Å; I243-Y380 HydrophobicContact CD1-CE1 3.88Å; I243-Y380 HydrophobicContact CG1-CE1 4.43Å
244	E	98.3	Very high	98.6	Very high	51 Å²	51	18 Å²	18	24%	0.238	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-23.6	-177.5	50.4	155	-153	0	0	112.7	K220 C240 E241 G242 A246 D247 H248	K220-E244 IonicContact NZ-OE1 2.66Å; K220-E244 PolarHBondContact NZ-OE1 3.03Å; K220-E244 IonicContact NZ-OE2 3.95Å; K220-E244 PolarHBondContact NZ-OE2 3.39Å; C240-E244 WeakPolarHBondContact CA-OE1 3.42Å; C240-E244 HydrophobicContact CB-CG 4Å; E241-E244 PolarHBondContact N-OE1 3.23Å; E241-E244 WeakPolarHBondContact O-CG 3.45Å; E241-E244 PolarHBondContact O-N 3.41Å; G242-E244 VanDerWaalsContact C-N 3.27Å; G242-E244 PolarHBondContact O-N 3.19Å; E244-A246 VanDerWaalsContact C-N 3.32Å; E244-A246 PolarHBondContact O-N 2.61Å; E244-D247 PolarHBondContact O-N 3.15Å; E244-H248 WeakPolarHBondContact O-CB 3.47Å; E244-H248 PolarHBondContact O-CD2 2.89Å; E244-H248 PolarHBondContact O-N 2.92Å
245	A	98.6	Very high	98.6	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-47	176.4	0	0	0	0	0	111.6	F162 C240 G242 I243 L249 T383	F162-A245 HydrophobicContact CB-CB 3.65Å; F162-A245 HydrophobicContact CD2-CB 3.92Å; F162-A245 HydrophobicContact CG-CB 4.09Å; C240-A245 VanDerWaalsContact CB-CA 3.41Å; C240-A245 HydrophobicContact CB-CB 3.66Å; G242-A245 PolarHBondContact O-N 2.91Å; I243-A245 PolarHBondContact O-N 3.46Å; A245-L249 PolarHBondContact O-N 3.36Å; A245-L249 VanDerWaalsContact O-N 3.09Å; A245-T383 HydrophobicContact CB-CG2 4.45Å
246	A	98.7	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-76.7	-38	179.9	0	0	0	0	0	112.4	I243 E244 H248 L249 W250 P379 Y380	I243-A246 PolarHBondContact O-N 2.86Å; E244-A246 VanDerWaalsContact C-N 3.32Å; E244-A246 PolarHBondContact O-N 2.61Å; A246-H248 VanDerWaalsContact C-N 3.32Å; A246-H248 PolarHBondContact O-N 3.04Å; A246-L249 PolarHBondContact O-N 3.28Å; A246-W250 PolarHBondContact O-N 3.14Å; A246-P379 HydrophobicContact CB-CB 3.74Å; A246-P379 HydrophobicContact CB-CG 3.94Å; A246-Y380 HydrophobicContact CB-CD1 3.17Å; A246-Y380 HydrophobicContact CB-CE1 3.27Å; A246-Y380 HydrophobicContact CB-CG 3.85Å
247	D	98.8	Very high	98.6	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-57.6	-46.5	173.8	-69.5	-10.6	0	0	0	110.7	A96 L111 R145 I243 E244 M251 Y380	A96-D247 HydrophobicContact CB-CB 4.37Å; L111-D247 HydrophobicContact CD2-CB 3.78Å; R145-D247 IonicContact CZ-OD1 2.75Å; R145-D247 IonicContact CZ-OD2 3.69Å; R145-D247 IonicContact NE-OD1 2.65Å; R145-D247 PolarHBondContact NE-OD1 3Å; R145-D247 IonicContact NE-OD2 2.79Å; R145-D247 IonicContact NH2-OD1 3.93Å; R145-D247 PolarHBondContact NH2-OD1 2.84Å; R145-D247 IonicContact NH2-OD2 2.62Å; R145-D247 PolarHBondContact NH2-OD2 3.42Å; I243-D247 PolarHBondContact O-N 2.91Å; E244-D247 PolarHBondContact O-N 3.15Å; D247-M251 WeakPolarHBondContact O-CG 3.32Å; D247-M251 PolarHBondContact O-N 2.92Å; D247-Y380 WeakPolarHBondContact OD1-CE1 3.34Å; D247-Y380 PolarHBondContact OD1-OH 3.37Å
248	H	98.9	Very high	98.6	Very high	17 Å²	17	21.6 Å²	21.6	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-43.3	178.3	-83.8	-116	0	0	0	112.5	F98 I219 K220 I237 E244 A246 M251 A252	F98-H248 AromaticContact CE1-CE1 3.94Å; F98-H248 AromaticContact CE1-NE2 3.78Å; I219-H248 HydrophobicContact CG2-CB 4.41Å; K220-H248 PolarHBondContact N-CE1 2.88Å; K220-H248 PolarHBondContact N-ND1 3.19Å; I237-H248 HydrophobicContact CG2-CB 3.66Å; E244-H248 WeakPolarHBondContact O-CB 3.47Å; E244-H248 PolarHBondContact O-CD2 2.89Å; E244-H248 PolarHBondContact O-N 2.92Å; A246-H248 VanDerWaalsContact C-N 3.32Å; A246-H248 PolarHBondContact O-N 3.04Å; H248-M251 PolarHBondContact O-N 3.48Å; H248-A252 VanDerWaalsContact O-CB 3.28Å; H248-A252 WeakPolarHBondContact O-CB 3.4Å; H248-A252 PolarHBondContact O-N 2.87Å
249	L	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.3	-43.3	-178.8	-178.1	60.1	0	0	0	111.9	I164 Q166 F235 I237 A245 A246 M251 A252 R253 P379	I164-L249 HydrophobicContact CB-CD2 4.2Å; I164-L249 HydrophobicContact CD1-CD2 3.99Å; I164-L249 HydrophobicContact CG2-CD2 3.71Å; Q166-L249 HydrophobicContact CB-CD1 3.89Å; Q166-L249 HydrophobicContact CG-CD1 4.28Å; F235-L249 HydrophobicContact CE2-CD1 3.71Å; F235-L249 HydrophobicContact CZ-CD1 3.98Å; I237-L249 HydrophobicContact CG1-CD1 3.88Å; A245-L249 PolarHBondContact O-N 3.36Å; A245-L249 VanDerWaalsContact O-N 3.09Å; A246-L249 PolarHBondContact O-N 3.28Å; L249-M251 VanDerWaalsContact C-N 3.33Å; L249-M251 PolarHBondContact O-N 3Å; L249-A252 WeakPolarHBondContact O-CB 3.2Å; L249-A252 PolarHBondContact O-N 3.15Å; L249-R253 HydrophobicContact CD1-CG 4.41Å; L249-R253 WeakPolarHBondContact O-CG 3.15Å; L249-R253 PolarHBondContact O-N 2.5Å; L249-P379 HydrophobicContact CB-CB 4.38Å; L249-P379 HydrophobicContact CB-CG 4.18Å; L249-P379 HydrophobicContact CD2-CB 3.8Å; L249-P379 HydrophobicContact CD2-CG 3.94Å; L249-P379 HydrophobicContact CG-CG 4.3Å
250	W	98.9	Very high	98.7	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-45.5	175.5	-86	116.5	0	0	0	111.7	I46 G50 M53 A246 A252 R253 Y254 D378 P379 Y380	I46-W250 HydrophobicContact CD1-CD2 3.78Å; I46-W250 HydrophobicContact CD1-CE3 4.43Å; I46-W250 HydrophobicContact CD1-CG 3.99Å; I46-W250 HydrophobicContact CD1-CZ2 4Å; I46-W250 HydrophobicContact CG1-CD2 3.84Å; I46-W250 HydrophobicContact CG1-CE3 3.99Å; I46-W250 HydrophobicContact CG1-CG 4.43Å; I46-W250 HydrophobicContact CG1-CH2 4.14Å; I46-W250 HydrophobicContact CG1-CZ2 4.01Å; I46-W250 HydrophobicContact CG1-CZ3 4.13Å; I46-W250 HydrophobicContact CG2-CH2 4.17Å; I46-W250 HydrophobicContact CG2-CZ2 4.29Å; G50-W250 WeakPolarHBondContact O-CH2 3.26Å; M53-W250 HydrophobicContact CE-CE3 3.96Å; M53-W250 HydrophobicContact CE-CZ3 4.38Å; M53-W250 VanDerWaalsContact CE-O 3.27Å; M53-W250 WeakPolarHBondContact CE-O 3.33Å; M53-W250 HydrophobicContact CG-CE3 3.87Å; M53-W250 HydrophobicContact CG-CZ3 4.04Å; M53-W250 HydrophobicContact SD-CB 4.39Å; M53-W250 HydrophobicContact SD-CE3 3.63Å; M53-W250 HydrophobicContact SD-CZ3 4.33Å; A246-W250 PolarHBondContact O-N 3.14Å; W250-A252 VanDerWaalsContact C-N 3.31Å; W250-A252 PolarHBondContact O-N 3.19Å; W250-R253 WeakPolarHBondContact O-CB 3.49Å; W250-R253 PolarHBondContact O-N 2.84Å; W250-Y254 PolarHBondContact O-N 2.86Å; W250-D378 HydrophobicContact CZ2-CB 4.24Å; W250-D378 PolarHBondContact NE1-OD1 3.32Å; W250-P379 HydrophobicContact CG-CG 4.26Å; W250-Y380 AromaticContact CD1-CD2 3.76Å; W250-Y380 AromaticContact CD1-CE2 3.21Å; W250-Y380 AromaticContact CD1-CZ 3.71Å; W250-Y380 HydrophobicContact CG-CE2 4.32Å; W250-Y380 AromaticContact NE1-CD2 3.44Å; W250-Y380 AromaticContact NE1-CE2 3.34Å; W250-Y380 VanDerWaalsContact NE1-CE2 3.34Å
251	M	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.3	-32.6	176.9	-70	-55.8	-54.9	0	0	113	V44 F98 L109 L111 I219 D247 H248 L249 Y254 I255	V44-M251 HydrophobicContact CB-CE 4.48Å; V44-M251 HydrophobicContact CB-SD 4.09Å; V44-M251 HydrophobicContact CG1-SD 4.18Å; V44-M251 HydrophobicContact CG2-CE 4.15Å; V44-M251 HydrophobicContact CG2-SD 4.41Å; F98-M251 HydrophobicContact CD2-CB 4.35Å; F98-M251 HydrophobicContact CD2-CE 4.38Å; F98-M251 HydrophobicContact CD2-CG 3.85Å; F98-M251 HydrophobicContact CE2-CB 4.14Å; F98-M251 HydrophobicContact CE2-CG 3.55Å; F98-M251 HydrophobicContact CZ-CG 4.31Å; L109-M251 HydrophobicContact CB-CE 3.59Å; L109-M251 HydrophobicContact CD1-CE 3.75Å; L109-M251 HydrophobicContact CG-CE 4.26Å; L111-M251 HydrophobicContact CB-CG 4.04Å; L111-M251 HydrophobicContact CB-SD 3.8Å; L111-M251 HydrophobicContact CD1-CG 4.4Å; L111-M251 HydrophobicContact CD1-SD 3.92Å; L111-M251 HydrophobicContact CD2-CG 4.2Å; L111-M251 HydrophobicContact CG-CG 4.46Å; L111-M251 HydrophobicContact CG-SD 4.34Å; I219-M251 HydrophobicContact CD1-CB 3.75Å; D247-M251 WeakPolarHBondContact O-CG 3.32Å; D247-M251 PolarHBondContact O-N 2.92Å; H248-M251 PolarHBondContact O-N 3.48Å; L249-M251 VanDerWaalsContact C-N 3.33Å; L249-M251 PolarHBondContact O-N 3Å; M251-Y254 HydrophobicContact CE-CD1 4.09Å; M251-Y254 PolarHBondContact O-N 3.19Å; M251-I255 WeakPolarHBondContact O-CG1 3.45Å; M251-I255 PolarHBondContact O-N 2.88Å
252	A	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.8	-41	173.7	0	0	0	0	0	112.2	H210 L214 I219 F235 I237 H248 L249 W250 Y254 I255 L256	H210-A252 PolarHBondContact NE2-O 2.99Å; L214-A252 HydrophobicContact CD1-CB 4.09Å; L214-A252 HydrophobicContact CD2-CB 3.86Å; I219-A252 HydrophobicContact CD1-CB 4.47Å; I219-A252 HydrophobicContact CG2-CB 4.26Å; F235-A252 HydrophobicContact CD2-CB 4.48Å; F235-A252 HydrophobicContact CE2-CB 3.59Å; F235-A252 HydrophobicContact CZ-CB 4.04Å; I237-A252 HydrophobicContact CD1-CB 3.75Å; I237-A252 HydrophobicContact CG1-CB 4.15Å; H248-A252 VanDerWaalsContact O-CB 3.28Å; H248-A252 WeakPolarHBondContact O-CB 3.4Å; H248-A252 PolarHBondContact O-N 2.87Å; L249-A252 WeakPolarHBondContact O-CB 3.2Å; L249-A252 PolarHBondContact O-N 3.15Å; W250-A252 VanDerWaalsContact C-N 3.31Å; W250-A252 PolarHBondContact O-N 3.19Å; A252-Y254 VanDerWaalsContact C-N 3.31Å; A252-Y254 PolarHBondContact O-N 3.25Å; A252-I255 PolarHBondContact O-N 2.8Å; A252-L256 WeakPolarHBondContact O-CB 3.25Å; A252-L256 PolarHBondContact O-N 3.09Å
253	R	98.9	Very high	98.2	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-39	172.4	-69.9	175.4	175.4	173.8	-2.4	111.3	M53 L249 W250 L256 H257 F269 S375 S377	M53-R253 HydrophobicContact CE-CB 3.71Å; L249-R253 HydrophobicContact CD1-CG 4.41Å; L249-R253 WeakPolarHBondContact O-CG 3.15Å; L249-R253 PolarHBondContact O-N 2.5Å; W250-R253 WeakPolarHBondContact O-CB 3.49Å; W250-R253 PolarHBondContact O-N 2.84Å; R253-L256 WeakPolarHBondContact O-CB 3.15Å; R253-L256 PolarHBondContact O-N 3.32Å; R253-H257 PolarHBondContact O-CD2 3.08Å; R253-H257 VanDerWaalsContact O-CD2 3.25Å; R253-H257 PolarHBondContact O-N 3.18Å; R253-F269 HydrophobicContact CB-CE2 3.98Å; R253-F269 HydrophobicContact CB-CZ 3.91Å; R253-F269 HydrophobicContact CG-CE1 4.34Å; R253-F269 HydrophobicContact CG-CE2 3.82Å; R253-F269 HydrophobicContact CG-CZ 3.58Å; R253-S375 PolarHBondContact NH2-O 3.42Å; R253-S377 VanDerWaalsContact CZ-O 3.29Å; R253-S377 PolarHBondContact NH1-O 2.99Å; R253-S377 PolarHBondContact NH2-O 2.83Å
254	Y	98.9	Very high	98	Very high	23 Å²	23	27.3 Å²	27.3	9%	0.09	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-47.9	179.5	172	-102.2	0	0	0	110.7	V44 A55 F102 L109 W250 M251 A252 L256 H257 R258	V44-Y254 HydrophobicContact CG1-CD2 3.67Å; V44-Y254 HydrophobicContact CG1-CE2 4.16Å; V44-Y254 HydrophobicContact CG1-CG 3.88Å; V44-Y254 HydrophobicContact CG2-CD1 4.08Å; V44-Y254 HydrophobicContact CG2-CD2 4.19Å; V44-Y254 HydrophobicContact CG2-CE1 3.9Å; V44-Y254 HydrophobicContact CG2-CE2 4.02Å; V44-Y254 HydrophobicContact CG2-CG 4.23Å; A55-Y254 HydrophobicContact CB-CE2 3.66Å; F102-Y254 HydrophobicContact CE2-CE1 4.37Å; L109-Y254 HydrophobicContact CD1-CD1 4.1Å; L109-Y254 HydrophobicContact CD1-CE1 4.02Å; L109-Y254 HydrophobicContact CD2-CE1 3.89Å; W250-Y254 PolarHBondContact O-N 2.86Å; M251-Y254 HydrophobicContact CE-CD1 4.09Å; M251-Y254 PolarHBondContact O-N 3.19Å; A252-Y254 VanDerWaalsContact C-N 3.31Å; A252-Y254 PolarHBondContact O-N 3.25Å; Y254-L256 VanDerWaalsContact C-N 3.28Å; Y254-L256 PolarHBondContact O-N 3.2Å; Y254-H257 PolarHBondContact O-N 2.89Å; Y254-R258 HydrophobicContact CD1-CG 4.38Å; Y254-R258 HydrophobicContact CD2-CG 4.4Å; Y254-R258 HydrophobicContact CE1-CG 3.86Å; Y254-R258 HydrophobicContact CE2-CG 3.87Å; Y254-R258 PolarHBondContact O-N 2.83Å
255	I	98.9	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-38.4	178.2	-67.3	167.5	0	0	0	110	P101 F102 L109 A213 L214 A217 I219 M251 A252 R258 V259	P101-I255 HydrophobicContact CG-CD1 4.19Å; P101-I255 HydrophobicContact CG-CG1 4.36Å; P101-I255 HydrophobicContact CG-CG2 4.34Å; F102-I255 HydrophobicContact CE2-CG1 4.08Å; F102-I255 HydrophobicContact CE2-CG2 4.44Å; F102-I255 HydrophobicContact CZ-CB 4.19Å; F102-I255 HydrophobicContact CZ-CG1 4.24Å; F102-I255 HydrophobicContact CZ-CG2 3.81Å; L109-I255 HydrophobicContact CD1-CD1 4.02Å; L109-I255 HydrophobicContact CD1-CG1 3.95Å; A213-I255 HydrophobicContact CB-CG2 3.64Å; L214-I255 HydrophobicContact CD2-CB 3.95Å; L214-I255 HydrophobicContact CD2-CD1 3.76Å; L214-I255 HydrophobicContact CD2-CG1 4.46Å; L214-I255 HydrophobicContact CD2-CG2 3.98Å; A217-I255 HydrophobicContact CB-CD1 3.94Å; I219-I255 HydrophobicContact CD1-CD1 3.6Å; M251-I255 WeakPolarHBondContact O-CG1 3.45Å; M251-I255 PolarHBondContact O-N 2.88Å; A252-I255 PolarHBondContact O-N 2.8Å; I255-R258 PolarHBondContact O-N 2.83Å; I255-V259 HydrophobicContact CG2-CG2 4.19Å; I255-V259 WeakPolarHBondContact O-CB 3.21Å; I255-V259 VanDerWaalsContact O-CG2 3.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.5Å; I255-V259 PolarHBondContact O-N 3Å
256	L	98.9	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-48.9	175.4	-179.8	57	0	0	0	111.9	Y168 V206 H210 F235 A252 R253 Y254 R258 V259 A260 V267 F269	Y168-L256 HydrophobicContact CD1-CD2 3.99Å; Y168-L256 HydrophobicContact CD2-CD2 3.78Å; Y168-L256 HydrophobicContact CE1-CD2 4.07Å; Y168-L256 HydrophobicContact CE2-CD1 3.93Å; Y168-L256 HydrophobicContact CE2-CD2 3.82Å; Y168-L256 HydrophobicContact CE2-CG 4.45Å; Y168-L256 HydrophobicContact CG-CD2 3.84Å; V206-L256 HydrophobicContact CG1-CD1 4.13Å; H210-L256 HydrophobicContact CB-CD1 4.3Å; H210-L256 VanDerWaalsContact CD2-CA 3.46Å; H210-L256 WeakPolarHBondContact CD2-CA 3.45Å; H210-L256 PolarHBondContact CD2-N 3.21Å; F235-L256 HydrophobicContact CD1-CD2 4.49Å; F235-L256 HydrophobicContact CE1-CD2 3.81Å; A252-L256 WeakPolarHBondContact O-CB 3.25Å; A252-L256 PolarHBondContact O-N 3.09Å; R253-L256 WeakPolarHBondContact O-CB 3.15Å; R253-L256 PolarHBondContact O-N 3.32Å; Y254-L256 VanDerWaalsContact C-N 3.28Å; Y254-L256 PolarHBondContact O-N 3.2Å; L256-R258 PolarHBondContact O-N 3.5Å; L256-V259 PolarHBondContact O-N 3.3Å; L256-A260 VanDerWaalsContact O-CB 3.32Å; L256-A260 WeakPolarHBondContact O-CB 3.3Å; L256-A260 PolarHBondContact O-N 3.17Å; L256-V267 HydrophobicContact CD1-CG2 4.26Å; L256-V267 HydrophobicContact CD2-CG1 3.76Å; L256-V267 HydrophobicContact CD2-CG2 4.35Å; L256-V267 HydrophobicContact CG-CG1 4.13Å; L256-V267 HydrophobicContact CG-CG2 3.91Å; L256-F269 HydrophobicContact CD2-CE1 4.08Å; L256-F269 HydrophobicContact CD2-CZ 4.06Å
257	H	98.7	Very high	97.8	Very high	61 Å²	61	27 Å²	27	28%	0.282	13%	0.129	S	C	.	.	H	α-helix	trans	-60.3	-46.2	176.2	-78.1	-62.8	0	0	0	112.1	R253 Y254 V259 A260 E261 F269	R253-H257 PolarHBondContact O-CD2 3.08Å; R253-H257 VanDerWaalsContact O-CD2 3.25Å; R253-H257 PolarHBondContact O-N 3.18Å; Y254-H257 PolarHBondContact O-N 2.89Å; H257-V259 PolarHBondContact O-N 2.87Å; H257-A260 PolarHBondContact O-N 3.24Å; H257-E261 WeakPolarHBondContact O-CG 3.42Å; H257-E261 PolarHBondContact O-N 3.37Å; H257-F269 AromaticContact NE2-CE2 3.36Å; H257-F269 WeakPolarHBondContact NE2-CE2 3.42Å
258	R	98.4	Very high	97.8	Very high	66 Å²	66	27.6 Å²	27.6	25%	0.249	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-37.6	179.4	-76.6	-67.3	-61.3	110.5	12.6	113.2	F102 Y254 I255 L256 E261 D262	F102-R258 HydrophobicContact CE1-CB 3.7Å; F102-R258 HydrophobicContact CE2-CB 3.73Å; F102-R258 HydrophobicContact CE2-CG 4.15Å; F102-R258 HydrophobicContact CZ-CB 3.25Å; F102-R258 HydrophobicContact CZ-CG 4.17Å; Y254-R258 HydrophobicContact CD1-CG 4.38Å; Y254-R258 HydrophobicContact CD2-CG 4.4Å; Y254-R258 HydrophobicContact CE1-CG 3.86Å; Y254-R258 HydrophobicContact CE2-CG 3.87Å; Y254-R258 PolarHBondContact O-N 2.83Å; I255-R258 PolarHBondContact O-N 2.83Å; L256-R258 PolarHBondContact O-N 3.5Å; R258-E261 WeakPolarHBondContact CD-OE2 3.35Å; R258-E261 IonicContact CZ-OE2 3.64Å; R258-E261 IonicContact NE-OE2 3.1Å; R258-E261 IonicContact NH1-OE2 3.58Å; R258-E261 PolarHBondContact NH1-OE2 3.39Å; R258-D262 PolarHBondContact O-N 3.38Å
259	V	98.4	Very high	97.8	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-48.3	172.1	170.5	0	0	0	0	109.9	F102 V206 A209 A213 I255 L256 H257 E261 D262 F263	F102-V259 HydrophobicContact CE1-CG2 3.83Å; F102-V259 HydrophobicContact CZ-CG2 4.23Å; V206-V259 HydrophobicContact CG1-CG1 4.14Å; A209-V259 HydrophobicContact CB-CG1 3.8Å; A213-V259 HydrophobicContact CB-CG2 4.48Å; I255-V259 HydrophobicContact CG2-CG2 4.19Å; I255-V259 WeakPolarHBondContact O-CB 3.21Å; I255-V259 VanDerWaalsContact O-CG2 3.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.5Å; I255-V259 PolarHBondContact O-N 3Å; L256-V259 PolarHBondContact O-N 3.3Å; H257-V259 PolarHBondContact O-N 2.87Å; V259-E261 VanDerWaalsContact C-N 3.29Å; V259-E261 PolarHBondContact O-N 2.81Å; V259-D262 WeakPolarHBondContact O-CB 3.49Å; V259-D262 PolarHBondContact O-N 2.87Å; V259-F263 HydrophobicContact CG1-CD2 4Å; V259-F263 HydrophobicContact CG1-CE2 3.84Å; V259-F263 VanDerWaalsContact O-CD2 3.28Å; V259-F263 WeakPolarHBondContact O-CD2 3.37Å; V259-F263 PolarHBondContact O-N 3.25Å
260	A	97.7	Very high	97.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-35	-178.9	0	0	0	0	0	112.8	V206 L256 H257 D262 F263 N264 V265 V267	V206-A260 HydrophobicContact CG1-CB 4.36Å; L256-A260 VanDerWaalsContact O-CB 3.32Å; L256-A260 WeakPolarHBondContact O-CB 3.3Å; L256-A260 PolarHBondContact O-N 3.17Å; H257-A260 PolarHBondContact O-N 3.24Å; A260-D262 PolarHBondContact O-N 3.33Å; A260-F263 CarbonylContact O-C 3.59Å; A260-F263 PolarHBondContact O-N 3.11Å; A260-N264 PolarHBondContact O-N 3.19Å; A260-V265 CarbonylContact C-O 3.55Å; A260-V265 HydrophobicContact CB-CB 4.44Å; A260-V265 VanDerWaalsContact CB-O 3.29Å; A260-V265 WeakPolarHBondContact CB-O 3.21Å; A260-V265 PolarHBondContact O-N 3.4Å; A260-V267 HydrophobicContact CB-CG2 3.5Å
261	E	95.9	Very high	97.7	Very high	110 Å²	110	30 Å²	30	51%	0.514	15%	0.147	S	C	.	.	H	α-helix	trans	-57	-36.3	170.4	-77	175	177.6	0	0	112.4	H257 R258 V259 F263 N264	H257-E261 WeakPolarHBondContact O-CG 3.42Å; H257-E261 PolarHBondContact O-N 3.37Å; R258-E261 WeakPolarHBondContact CD-OE2 3.35Å; R258-E261 IonicContact CZ-OE2 3.64Å; R258-E261 IonicContact NE-OE2 3.1Å; R258-E261 IonicContact NH1-OE2 3.58Å; R258-E261 PolarHBondContact NH1-OE2 3.39Å; V259-E261 VanDerWaalsContact C-N 3.29Å; V259-E261 PolarHBondContact O-N 2.81Å; E261-F263 VanDerWaalsContact C-N 3.29Å; E261-F263 PolarHBondContact O-N 3.05Å; E261-N264 PolarHBondContact O-N 3.47Å
262	D	94.9	Very high	97.6	Very high	65 Å²	65	31.2 Å²	31.2	35%	0.348	15%	0.152	S	C	.	.	H	α-helix	trans	-70.5	-27.1	176.7	-84.7	-33.3	0	0	0	113.6	K24 R258 V259 A260	K24-D262 VanDerWaalsContact CE-O 3.27Å; K24-D262 WeakPolarHBondContact CE-O 3.37Å; K24-D262 IonicContact NZ-OD1 3.56Å; K24-D262 PolarHBondContact NZ-OD1 2.98Å; R258-D262 PolarHBondContact O-N 3.38Å; V259-D262 WeakPolarHBondContact O-CB 3.49Å; V259-D262 PolarHBondContact O-N 2.87Å; A260-D262 PolarHBondContact O-N 3.33Å
263	F	95.2	Very high	97.5	Very high	90 Å²	90	32.1 Å²	32.1	40%	0.395	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	0.8	175.2	-68.8	-80	0	0	0	113.9	D205 V206 A209 V259 A260 E261 V265	D205-F263 HydrophobicContact CB-CE1 3.88Å; D205-F263 HydrophobicContact CB-CZ 4.14Å; V206-F263 HydrophobicContact CB-CD2 4.49Å; V206-F263 HydrophobicContact CG2-CB 3.91Å; V206-F263 HydrophobicContact CG2-CD2 3.78Å; V206-F263 HydrophobicContact CG2-CE2 4.49Å; V206-F263 HydrophobicContact CG2-CG 3.86Å; A209-F263 HydrophobicContact CB-CE2 3.95Å; A209-F263 HydrophobicContact CB-CZ 4.28Å; V259-F263 HydrophobicContact CG1-CD2 4Å; V259-F263 HydrophobicContact CG1-CE2 3.84Å; V259-F263 VanDerWaalsContact O-CD2 3.28Å; V259-F263 WeakPolarHBondContact O-CD2 3.37Å; V259-F263 PolarHBondContact O-N 3.25Å; A260-F263 CarbonylContact O-C 3.59Å; A260-F263 PolarHBondContact O-N 3.11Å; E261-F263 VanDerWaalsContact C-N 3.29Å; E261-F263 PolarHBondContact O-N 3.05Å; F263-V265 HydrophobicContact CB-CG2 3.93Å; F263-V265 PolarHBondContact O-N 3.02Å
264	N	94.8	Very high	97.3	Very high	66 Å²	66	32.5 Å²	32.5	35%	0.353	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	39	-171.8	-60.8	-50.4	0	0	0	113	L173 A260 E261	L173-N264 HydrophobicContact CD1-CB 4.23Å; L173-N264 HydrophobicContact CD2-CB 4.43Å; L173-N264 WeakPolarHBondContact CD2-O 3.34Å; L173-N264 HydrophobicContact CG-CB 4.44Å; L173-N264 WeakPolarHBondContact CG-O 3.29Å; A260-N264 PolarHBondContact O-N 3.19Å; E261-N264 PolarHBondContact O-N 3.47Å
265	V	95.8	Very high	97	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	19%	0.19	C	C	.	.			trans	-111.8	140.5	177.3	-177.1	0	0	0	0	108.4	L170 Y171 Y178 V206 A260 F263	L170-V265 HydrophobicContact CB-CG1 3.79Å; L170-V265 HydrophobicContact CD1-CG1 4.36Å; L170-V265 HydrophobicContact CD2-CG1 3.79Å; L170-V265 HydrophobicContact CG-CG1 4.18Å; Y171-V265 WeakPolarHBondContact O-CG1 3.46Å; Y178-V265 HydrophobicContact CD2-CG1 4.18Å; Y178-V265 HydrophobicContact CD2-CG2 4.05Å; Y178-V265 HydrophobicContact CE2-CG2 3.73Å; Y178-V265 HydrophobicContact CG-CG1 4.41Å; V206-V265 HydrophobicContact CG2-CG2 4.33Å; A260-V265 CarbonylContact C-O 3.55Å; A260-V265 HydrophobicContact CB-CB 4.44Å; A260-V265 VanDerWaalsContact CB-O 3.29Å; A260-V265 WeakPolarHBondContact CB-O 3.21Å; A260-V265 PolarHBondContact O-N 3.4Å; F263-V265 HydrophobicContact CB-CG2 3.93Å; F263-V265 PolarHBondContact O-N 3.02Å
266	V	97.7	Very high	96.7	Very high	27 Å²	27	38.9 Å²	38.9	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.6	175.3	176.9	0	0	0	0	108.9	L170 Y171 L173	L170-V266 CarbonylContact C-O 3.35Å; L170-V266 WeakPolarHBondContact CA-O 3.37Å; Y171-V266 PolarHBondContact N-O 3.33Å; Y171-V266 PolarHBondContact O-N 2.52Å; L173-V266 HydrophobicContact CD2-CG2 4.12Å
267	V	98.5	Very high	96.5	Very high	10 Å²	10	45 Å²	45	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.1	173.7	172	0	0	0	0	108.5	Y168 L170 L256 A260 F269	Y168-V267 HydrophobicContact CD2-CG1 4.1Å; Y168-V267 HydrophobicContact CG-CG1 4.49Å; L170-V267 HydrophobicContact CD2-CG2 3.91Å; L256-V267 HydrophobicContact CD1-CG2 4.26Å; L256-V267 HydrophobicContact CD2-CG1 3.76Å; L256-V267 HydrophobicContact CD2-CG2 4.35Å; L256-V267 HydrophobicContact CG-CG1 4.13Å; L256-V267 HydrophobicContact CG-CG2 3.91Å; A260-V267 HydrophobicContact CB-CG2 3.5Å; V267-F269 HydrophobicContact CG1-CD1 4.49Å; V267-F269 HydrophobicContact CG1-CE1 3.96Å; V267-F269 HydrophobicContact CG1-CE2 4.43Å; V267-F269 HydrophobicContact CG1-CZ 3.91Å
268	S	98.2	Very high	96.3	Very high	22 Å²	22	43.3 Å²	43.3	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.8	172.6	-174.3	0	0	0	0	110.4	T169 D270	T169-S268 PolarHBondContact N-O 2.75Å; T169-S268 PolarHBondContact O-N 3.23Å; S268-D270 WeakPolarHBondContact OG-CB 3.49Å; S268-D270 PolarHBondContact OG-N 2.65Å; S268-D270 VanDerWaalsContact OG-N 3.15Å
269	F	98.6	Very high	96.2	Very high	23 Å²	23	41 Å²	41	10%	0.101	23%	0.23	C	C	.	.			trans	-100	13.8	167.1	-59.8	-52.9	0	0	0	111.9	Q166 Y168 R253 L256 H257 V267 S375 N376	Q166-F269 HydrophobicContact CG-CD1 4.48Å; Q166-F269 HydrophobicContact CG-CE1 4.05Å; Y168-F269 HydrophobicContact CG-CE1 4.41Å; R253-F269 HydrophobicContact CB-CE2 3.98Å; R253-F269 HydrophobicContact CB-CZ 3.91Å; R253-F269 HydrophobicContact CG-CE1 4.34Å; R253-F269 HydrophobicContact CG-CE2 3.82Å; R253-F269 HydrophobicContact CG-CZ 3.58Å; L256-F269 HydrophobicContact CD2-CE1 4.08Å; L256-F269 HydrophobicContact CD2-CZ 4.06Å; H257-F269 AromaticContact NE2-CE2 3.36Å; H257-F269 WeakPolarHBondContact NE2-CE2 3.42Å; V267-F269 HydrophobicContact CG1-CD1 4.49Å; V267-F269 HydrophobicContact CG1-CE1 3.96Å; V267-F269 HydrophobicContact CG1-CE2 4.43Å; V267-F269 HydrophobicContact CG1-CZ 3.91Å; F269-S375 CarbonylContact O-C 3.55Å; F269-S375 WeakPolarHBondContact O-CB 3.38Å; F269-S375 PolarHBondContact O-OG 2.62Å; F269-N376 HydrophobicContact CB-CB 4.08Å; F269-N376 VanDerWaalsContact O-CB 3.3Å; F269-N376 WeakPolarHBondContact O-CB 3.28Å; F269-N376 PolarHBondContact O-N 2.86Å
270	D	98	Very high	96.1	Very high	46 Å²	46	41 Å²	41	25%	0.246	23%	0.231	C	C	.	.			trans	-59.1	130.1	174.2	-175.9	-80.6	0	0	0	110.5	S268 K272 P273 R329	S268-D270 WeakPolarHBondContact OG-CB 3.49Å; S268-D270 PolarHBondContact OG-N 2.65Å; S268-D270 VanDerWaalsContact OG-N 3.15Å; D270-K272 VanDerWaalsContact C-N 3.27Å; D270-K272 PolarHBondContact O-N 2.9Å; D270-K272 WeakPolarHBondContact OD1-CA 3.2Å; D270-K272 PolarHBondContact OD1-N 3.29Å; D270-K272 VanDerWaalsContact OD1-O 3.08Å; D270-P273 WeakPolarHBondContact O-CD 3.48Å; D270-R329 IonicContact OD1-CZ 3.31Å; D270-R329 IonicContact OD1-NH1 3.64Å; D270-R329 PolarHBondContact OD1-NH1 2.9Å; D270-R329 IonicContact OD1-NH2 2.67Å; D270-R329 IonicContact OD2-CZ 3.54Å; D270-R329 IonicContact OD2-NH1 3.35Å; D270-R329 PolarHBondContact OD2-NH1 2.89Å; D270-R329 IonicContact OD2-NH2 3.95Å; D270-R329 PolarHBondContact OD2-NH2 3.31Å
271	P	97.7	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-75	-10.8	-173.5	26.4	-32.8	0	0	0	114.8	G280 A281 D326 R330 A374 S375	P271-G280 CarbonylContact O-C 3.55Å; P271-G280 WeakPolarHBondContact O-CA 3.19Å; P271-A281 WeakPolarHBondContact CA-O 3.37Å; P271-A281 WeakPolarHBondContact CB-O 3.46Å; P271-A281 PolarHBondContact O-N 3.49Å; P271-D326 HydrophobicContact CG-CB 3.62Å; P271-R330 HydrophobicContact CB-CB 4.11Å; P271-R330 WeakPolarHBondContact O-CB 3.5Å; P271-R330 WeakPolarHBondContact O-CD 3.41Å; P271-R330 WeakPolarHBondContact O-CG 3.48Å; P271-A374 HydrophobicContact CB-CB 3.84Å; P271-A374 HydrophobicContact CG-CB 4.06Å; P271-S375 WeakPolarHBondContact CA-OG 3.37Å
272	K	97.5	Very high	96.3	Very high	25 Å²	25	35.7 Å²	35.7	11%	0.109	21%	0.207	C	C	.	.	S	Bend	trans	-142	74.1	172.3	-169.6	68.9	173	-174	0	109.3	D270 V274 G276 W278 R329 M335	D270-K272 VanDerWaalsContact C-N 3.27Å; D270-K272 PolarHBondContact O-N 2.9Å; D270-K272 WeakPolarHBondContact OD1-CA 3.2Å; D270-K272 PolarHBondContact OD1-N 3.29Å; D270-K272 VanDerWaalsContact OD1-O 3.08Å; K272-V274 VanDerWaalsContact C-N 3.32Å; K272-V274 PolarHBondContact O-N 3.23Å; K272-G276 PolarHBondContact NZ-O 2.76Å; K272-W278 PolarHBondContact NZ-O 3.49Å; K272-R329 HydrophobicContact CB-CB 3.68Å; K272-R329 HydrophobicContact CG-CB 4.17Å; K272-R329 WeakPolarHBondContact CG-O 3.26Å; K272-R329 PolarHBondContact O-NH1 2.91Å; K272-M335 PolarHBondContact NZ-SD 3.41Å
273	P	95.9	Very high	96.4	Very high	18 Å²	18	32.7 Å²	32.7	12%	0.117	19%	0.191	C	C	.	.	S	Bend	trans	-66.4	-33.3	-169	23	-30.9	0	0	0	112.9	T169 Y171 M229 D270	T169-P273 HydrophobicContact CG2-CB 4.38Å; T169-P273 HydrophobicContact CG2-CG 4.49Å; T169-P273 WeakPolarHBondContact OG1-CG 3.31Å; Y171-P273 HydrophobicContact CE2-CB 4.2Å; Y171-P273 WeakPolarHBondContact OH-CB 3.4Å; Y171-P273 PolarHBondContact OH-O 3.32Å; M229-P273 HydrophobicContact CE-CG 3.88Å; M229-P273 HydrophobicContact SD-CG 4.31Å; D270-P273 WeakPolarHBondContact O-CD 3.48Å
274	V	95.5	Very high	96.6	Very high	12 Å²	12	28.8 Å²	28.8	7%	0.073	17%	0.174	C	C	.	.	S	Bend	trans	-124.4	125.2	175.9	-172.8	0	0	0	0	108.9	P177 W180 F185 M229 K272 W278	P177-V274 HydrophobicContact CG-CG2 3.77Å; W180-V274 HydrophobicContact CH2-CB 4.49Å; W180-V274 HydrophobicContact CH2-CG1 4.23Å; W180-V274 HydrophobicContact CH2-CG2 4.07Å; W180-V274 HydrophobicContact CZ3-CG1 4.21Å; W180-V274 HydrophobicContact CZ3-CG2 4.38Å; F185-V274 HydrophobicContact CE1-CG1 4.48Å; M229-V274 HydrophobicContact CE-CG2 4.27Å; M229-V274 HydrophobicContact SD-CB 4.2Å; M229-V274 HydrophobicContact SD-CG2 3.92Å; K272-V274 VanDerWaalsContact C-N 3.32Å; K272-V274 PolarHBondContact O-N 3.23Å; V274-W278 HydrophobicContact CB-CB 4.11Å; V274-W278 HydrophobicContact CB-CG 4.21Å; V274-W278 HydrophobicContact CG1-CB 4.39Å; V274-W278 VanDerWaalsContact CG1-CD1 3.41Å; V274-W278 HydrophobicContact CG1-CG 3.99Å
275	P	92.9	Very high	96.8	Very high	108 Å²	108	25.7 Å²	25.7	70%	0.701	16%	0.157	S	C	*	.			trans	-70.1	158.9	176.4	27.5	-32.3	0	0	0	111.8
276	G	91.9	Very high	96.9	Very high	48 Å²	48	26.3 Å²	26.3	50%	0.495	16%	0.16	S	C	.	.	S	Bend	trans	89.7	-148.1	-179.8	0	0	0	0	0	113.2	K272 W278 M335	K272-G276 PolarHBondContact NZ-O 2.76Å; G276-W278 PolarHBondContact O-N 3.45Å; G276-M335 WeakPolarHBondContact O-CE 3.43Å
277	D	93.9	Very high	97	Very high	129 Å²	129	25 Å²	25	69%	0.69	15%	0.153	S	C	*	.	S	Bend	trans	-79.3	34.9	-170.1	-64.6	-33.1	0	0	0	114.8	M335	D277-M335 HydrophobicContact CB-CE 4.39Å
278	W	95.6	Very high	97	Very high	25 Å²	25	25 Å²	25	10%	0.095	15%	0.152	C	C	.	.	S	Bend	trans	-112.9	140.1	176.6	-59.3	103	0	0	0	110	W180 F185 P186 A187 Q189 M229 P230 K272 V274 G276	W180-W278 AromaticContact CH2-CD2 3.57Å; W180-W278 HydrophobicContact CH2-CD2 3.57Å; W180-W278 AromaticContact CH2-CE2 3.65Å; W180-W278 AromaticContact CH2-CE3 3.81Å; W180-W278 HydrophobicContact CH2-CE3 3.81Å; W180-W278 HydrophobicContact CH2-CG 4.06Å; W180-W278 HydrophobicContact CH2-CH2 4.2Å; W180-W278 AromaticContact CH2-CZ2 3.99Å; W180-W278 HydrophobicContact CH2-CZ2 3.99Å; W180-W278 HydrophobicContact CH2-CZ3 4.11Å; W180-W278 HydrophobicContact CZ2-CD2 4.37Å; W180-W278 HydrophobicContact CZ2-CE3 4.18Å; W180-W278 HydrophobicContact CZ2-CZ3 4.33Å; W180-W278 HydrophobicContact CZ3-CD2 4.4Å; W180-W278 HydrophobicContact CZ3-CZ2 4.2Å; F185-W278 HydrophobicContact CB-CZ2 4.07Å; F185-W278 AromaticContact CD1-CE2 3.92Å; F185-W278 AromaticContact CD1-CZ2 3.81Å; F185-W278 HydrophobicContact CD1-CZ2 3.81Å; F185-W278 AromaticContact CD1-NE1 3.56Å; F185-W278 AromaticContact CE1-NE1 3.74Å; F185-W278 HydrophobicContact CG-CZ2 4.33Å; P186-W278 HydrophobicContact CG-CH2 3.77Å; P186-W278 HydrophobicContact CG-CZ2 4.48Å; P186-W278 HydrophobicContact CG-CZ3 4.22Å; A187-W278 WeakPolarHBondContact O-CH2 3.07Å; Q189-W278 HydrophobicContact CG-CE3 3.49Å; Q189-W278 VanDerWaalsContact CG-CE3 3.49Å; Q189-W278 HydrophobicContact CG-CZ3 3.61Å; Q189-W278 VanDerWaalsContact OE1-CA 3.32Å; M229-W278 HydrophobicContact CG-CB 4.27Å; M229-W278 HydrophobicContact CG-CE3 4.03Å; M229-W278 HydrophobicContact SD-CB 3.89Å; P230-W278 HydrophobicContact CG-CZ3 3.99Å; K272-W278 PolarHBondContact NZ-O 3.49Å; V274-W278 HydrophobicContact CB-CB 4.11Å; V274-W278 HydrophobicContact CB-CG 4.21Å; V274-W278 HydrophobicContact CG1-CB 4.39Å; V274-W278 VanDerWaalsContact CG1-CD1 3.41Å; V274-W278 HydrophobicContact CG1-CG 3.99Å; G276-W278 PolarHBondContact O-N 3.45Å
279	N	96.4	Very high	97	Very high	17 Å²	17	24.2 Å²	24.2	9%	0.091	15%	0.147	C	C	.	.			trans	-57.3	149.2	-178.1	-88.3	40.5	0	0	0	111.9	Q189 V228 M229	Q189-N279 PolarHBondContact NE2-OD1 3.15Å; V228-N279 HydrophobicContact CB-CB 4.23Å; V228-N279 WeakPolarHBondContact CB-ND2 3.43Å; M229-N279 HydrophobicContact CB-CB 4.38Å
280	G	96.5	Very high	97	Very high	9 Å²	9	26.9 Å²	26.9	9%	0.093	16%	0.158	C	C	.	.			trans	-82.9	178.3	166.2	0	0	0	0	0	111.2	Q232 P271	Q232-G280 PolarHBondContact NE2-O 3.04Å; P271-G280 CarbonylContact O-C 3.55Å; P271-G280 WeakPolarHBondContact O-CA 3.19Å
281	A	98.2	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.			trans	-115.1	122.9	177	0	0	0	0	0	111.5	E167 P271 R330 S375	E167-A281 HydrophobicContact CB-CB 4.06Å; E167-A281 WeakPolarHBondContact OE2-CA 3.43Å; P271-A281 WeakPolarHBondContact CA-O 3.37Å; P271-A281 WeakPolarHBondContact CB-O 3.46Å; P271-A281 PolarHBondContact O-N 3.49Å; A281-R330 WeakPolarHBondContact O-CD 3.24Å; A281-S375 VanDerWaalsContact CB-OG 3.25Å; A281-S375 WeakPolarHBondContact CB-OG 3.15Å; A281-S375 WeakPolarHBondContact O-CB 2.92Å; A281-S375 PolarHBondContact O-N 3.05Å; A281-S375 VanDerWaalsContact O-N 3.16Å; A281-S375 PolarHBondContact O-OG 2.99Å
282	G	98	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-102	172	177.8	0	0	0	0	0	114.3	E167 S375	E167-G282 WeakPolarHBondContact CB-O 3.43Å; E167-G282 PolarHBondContact N-O 3.37Å; E167-G282 VanDerWaalsContact N-O 3.09Å; E167-G282 PolarHBondContact OE2-N 2.93Å; G282-S375 WeakPolarHBondContact O-CA 3.28Å; G282-S375 WeakPolarHBondContact O-CB 3.44Å
283	A	98.7	Very high	97.2	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	62.9	163.3	0	0	0	0	0	109.5	I164 E165 C285 P373 A374	I164-A283 HydrophobicContact CG2-CB 4.26Å; E165-A283 CarbonylContact O-C 3.58Å; E165-A283 WeakPolarHBondContact O-CA 3.41Å; A283-C285 PolarHBondContact O-N 2.82Å; A283-P373 HydrophobicContact CB-CB 4.25Å; A283-P373 PolarHBondContact N-O 2.88Å; A283-P373 WeakPolarHBondContact O-CB 3.35Å; A283-A374 VanDerWaalsContact CB-O 3.23Å; A283-A374 WeakPolarHBondContact CB-O 3.46Å
284	H	98.6	Very high	97.3	Very high	9 Å²	9	33 Å²	33	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	132.3	-171.6	-48.9	137.4	0	0	0	110.4	I164 E165 E167 E369 D370 R371	I164-H284 WeakPolarHBondContact CA-O 3.3Å; E165-H284 HydrophobicContact CB-CB 4.04Å; E165-H284 HydrophobicContact CG-CB 4.41Å; E165-H284 PolarHBondContact N-O 2.61Å; E165-H284 PolarHBondContact O-N 3.1Å; E165-H284 IonicContact OE2-CG 2.75Å; E165-H284 IonicContact OE2-ND1 3.57Å; E165-H284 PolarHBondContact OE2-ND1 3.48Å; E167-H284 IonicContact OE1-CE1 2.67Å; E167-H284 PolarHBondContact OE1-CE1 3.5Å; E167-H284 IonicContact OE1-NE2 3.58Å; H284-E369 HydrophobicContact CB-CG 4.13Å; H284-E369 IonicContact CG-OE1 3.48Å; H284-E369 IonicContact ND1-OE1 3.88Å; H284-D370 WeakPolarHBondContact CA-O 3.39Å; H284-R371 PolarHBondContact CE1-NH1 2.95Å; H284-R371 PolarHBondContact CE1-NH2 3.32Å; H284-R371 PolarHBondContact ND1-NH1 3.22Å
285	C	98.8	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	103.9	-174.2	-169	0	0	0	0	109.6	A283 D370 P373 V382 L386	A283-C285 PolarHBondContact O-N 2.82Å; C285-D370 PolarHBondContact N-O 3.05Å; C285-D370 PolarHBondContact O-N 3.3Å; C285-P373 HydrophobicContact CB-CG 4.29Å; C285-V382 HydrophobicContact CB-CG1 4.01Å; C285-L386 HydrophobicContact CB-CD1 4.18Å; C285-L386 VanDerWaalsContact SG-CD1 3.55Å
286	N	98.9	Very high	97.7	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.118	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.4	170	-59.1	-74.2	0	0	0	108.8	F162 G163 E165 Y367 L368 E369	F162-N286 CarbonylContact C-O 3.59Å; F162-N286 WeakPolarHBondContact CA-O 3.2Å; G163-N286 PolarHBondContact N-O 3.41Å; G163-N286 WeakPolarHBondContact O-CA 3.49Å; G163-N286 VanDerWaalsContact O-CB 3.25Å; G163-N286 WeakPolarHBondContact O-CB 3.48Å; G163-N286 PolarHBondContact O-N 3.39Å; G163-N286 PolarHBondContact O-ND2 2.91Å; G163-N286 VanDerWaalsContact O-ND2 3.12Å; E165-N286 PolarHBondContact OE1-ND2 3.15Å; N286-Y367 HydrophobicContact CB-CD2 3.84Å; N286-Y367 HydrophobicContact CB-CE2 4.03Å; N286-Y367 WeakPolarHBondContact OD1-CE2 3.39Å; N286-L368 CarbonylContact C-O 3.59Å; N286-L368 VanDerWaalsContact CA-O 3.28Å; N286-L368 WeakPolarHBondContact CA-O 3.44Å; N286-E369 WeakPolarHBondContact OD1-CB 3.44Å; N286-E369 WeakPolarHBondContact OD1-CG 3.38Å
287	F	98.9	Very high	98	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.5	-173.9	173.7	-115.6	0	0	0	112.2	P160 W161 F162 T289 M292 Y367 L368 L386 V387 V390	P160-F287 HydrophobicContact CB-CE2 3.83Å; W161-F287 WeakPolarHBondContact O-CA 3.45Å; F162-F287 HydrophobicContact CD1-CB 4.37Å; F162-F287 AromaticContact CD1-CD2 3.68Å; F162-F287 HydrophobicContact CD1-CD2 3.68Å; F162-F287 HydrophobicContact CD1-CE2 4.5Å; F162-F287 HydrophobicContact CD1-CG 4.45Å; F162-F287 HydrophobicContact CE1-CB 4.49Å; F162-F287 AromaticContact CE1-CD2 3.25Å; F162-F287 HydrophobicContact CE1-CD2 3.25Å; F162-F287 AromaticContact CE1-CE2 3.72Å; F162-F287 HydrophobicContact CE1-CE2 3.72Å; F162-F287 HydrophobicContact CE1-CG 4.15Å; F162-F287 AromaticContact CZ-CD2 3.79Å; F162-F287 HydrophobicContact CZ-CD2 3.79Å; F162-F287 AromaticContact CZ-CE2 3.79Å; F162-F287 HydrophobicContact CZ-CE2 3.79Å; F287-T289 HydrophobicContact CE1-CG2 4.43Å; F287-T289 HydrophobicContact CZ-CG2 3.93Å; F287-M292 HydrophobicContact CE1-CE 4.21Å; F287-Y367 WeakPolarHBondContact O-CA 3.34Å; F287-Y367 WeakPolarHBondContact O-CB 3.47Å; F287-L368 HydrophobicContact CB-CD1 4.1Å; F287-L368 HydrophobicContact CB-CG 4.46Å; F287-L368 HydrophobicContact CD1-CD1 4.46Å; F287-L368 HydrophobicContact CD1-CD2 4.46Å; F287-L368 HydrophobicContact CD1-CG 4.43Å; F287-L368 PolarHBondContact N-O 3.36Å; F287-L368 PolarHBondContact O-N 2.8Å; F287-L386 HydrophobicContact CB-CD1 4.29Å; F287-V387 HydrophobicContact CE2-CG2 4.2Å; F287-V387 HydrophobicContact CZ-CG2 4.47Å; F287-V390 HydrophobicContact CE1-CB 3.84Å; F287-V390 HydrophobicContact CE1-CG1 3.8Å; F287-V390 HydrophobicContact CE1-CG2 4Å; F287-V390 HydrophobicContact CZ-CB 4.35Å; F287-V390 HydrophobicContact CZ-CG1 4.42Å
288	S	98.9	Very high	98.2	Very high	8 Å²	8	28.4 Å²	28.4	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.9	171	63.6	0	0	0	0	112.4	P160 W161 R293 G366	P160-S288 CarbonylContact C-O 3.52Å; P160-S288 WeakPolarHBondContact CA-O 3.29Å; W161-S288 PolarHBondContact N-O 3.15Å; W161-S288 PolarHBondContact O-N 2.68Å; S288-R293 PolarHBondContact O-NH1 2.93Å; S288-R293 PolarHBondContact OG-NH1 3.11Å; S288-G366 VanDerWaalsContact CB-O 3.22Å; S288-G366 WeakPolarHBondContact CB-O 3.38Å
289	T	98.9	Very high	98.3	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.037	18%	0.176	C	C	.	.			trans	-102.2	169.6	162.3	67.2	0	0	0	0	110.2	F158 F287 Q291 M292 R293	F158-T289 HydrophobicContact CB-CG2 3.98Å; F158-T289 CarbonylContact O-C 3.44Å; F158-T289 WeakPolarHBondContact O-CA 3.46Å; F158-T289 WeakPolarHBondContact O-CB 3.35Å; F287-T289 HydrophobicContact CE1-CG2 4.43Å; F287-T289 HydrophobicContact CZ-CG2 3.93Å; T289-Q291 VanDerWaalsContact C-N 3.26Å; T289-Q291 PolarHBondContact O-N 2.95Å; T289-Q291 PolarHBondContact OG1-OE1 3.46Å; T289-Q291 VanDerWaalsContact OG1-OE1 3.08Å; T289-M292 HydrophobicContact CG2-CE 4.24Å; T289-M292 HydrophobicContact CG2-SD 4.49Å; T289-M292 PolarHBondContact N-SD 3.31Å; T289-M292 WeakPolarHBondContact O-CB 3.18Å; T289-M292 PolarHBondContact O-N 2.98Å; T289-M292 VanDerWaalsContact O-N 3.09Å; T289-M292 WeakPolarHBondContact OG1-CG 3.47Å; T289-M292 PolarHBondContact OG1-N 3.34Å; T289-R293 WeakPolarHBondContact O-CG 3.19Å; T289-R293 PolarHBondContact O-N 3.4Å; T289-R293 PolarHBondContact O-NH1 3.02Å
290	K	98.7	Very high	98.5	Very high	79 Å²	79	33.3 Å²	33.3	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-48.7	-48.4	172.2	-178	-178.5	-161.3	150.3	0	112.4	F158 E159 M292 R293 E294	F158-K290 PolarHBondContact O-N 3.02Å; E159-K290 HydrophobicContact CB-CB 4.28Å; E159-K290 WeakPolarHBondContact OE1-CD 3.3Å; E159-K290 IonicContact OE1-NZ 3.94Å; E159-K290 PolarHBondContact OE1-NZ 2.82Å; K290-M292 VanDerWaalsContact C-N 3.29Å; K290-M292 PolarHBondContact O-N 2.92Å; K290-R293 PolarHBondContact O-N 2.97Å; K290-R293 VanDerWaalsContact O-N 3.09Å; K290-E294 WeakPolarHBondContact O-CG 3.08Å; K290-E294 PolarHBondContact O-N 3.23Å
291	Q	98.6	Very high	98.6	Very high	58 Å²	58	32.9 Å²	32.9	27%	0.271	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-32.3	-178.4	-57.1	90.8	-24.8	0	0	112.6	T289 R293 G297 H300	T289-Q291 VanDerWaalsContact C-N 3.26Å; T289-Q291 PolarHBondContact O-N 2.95Å; T289-Q291 PolarHBondContact OG1-OE1 3.46Å; T289-Q291 VanDerWaalsContact OG1-OE1 3.08Å; Q291-R293 VanDerWaalsContact C-N 3.31Å; Q291-G297 WeakPolarHBondContact O-CA 3.47Å; Q291-H300 HydrophobicContact CB-CB 4.5Å; Q291-H300 VanDerWaalsContact CB-CD2 3.46Å; Q291-H300 WeakPolarHBondContact CB-CD2 3.28Å
292	M	98.8	Very high	98.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-30.3	175.6	-65.6	176.3	-174.5	0	0	112.5	F287 T289 K290 H300 I301 A304 C365 G366 V390	F287-M292 HydrophobicContact CE1-CE 4.21Å; T289-M292 HydrophobicContact CG2-CE 4.24Å; T289-M292 HydrophobicContact CG2-SD 4.49Å; T289-M292 PolarHBondContact N-SD 3.31Å; T289-M292 WeakPolarHBondContact O-CB 3.18Å; T289-M292 PolarHBondContact O-N 2.98Å; T289-M292 VanDerWaalsContact O-N 3.09Å; T289-M292 WeakPolarHBondContact OG1-CG 3.47Å; T289-M292 PolarHBondContact OG1-N 3.34Å; K290-M292 VanDerWaalsContact C-N 3.29Å; K290-M292 PolarHBondContact O-N 2.92Å; M292-H300 HydrophobicContact CG-CB 3.88Å; M292-I301 HydrophobicContact CB-CD1 4.33Å; M292-I301 HydrophobicContact CB-CG1 3.8Å; M292-I301 HydrophobicContact CG-CG1 3.73Å; M292-I301 HydrophobicContact SD-CG1 3.99Å; M292-A304 HydrophobicContact CE-CB 3.38Å; M292-C365 WeakPolarHBondContact O-CB 3.41Å; M292-G366 CarbonylContact C-O 3.55Å; M292-G366 PolarHBondContact O-N 3.2Å; M292-V390 HydrophobicContact CE-CG1 3.83Å
293	R	98.7	Very high	98.6	Very high	53 Å²	53	42.9 Å²	42.9	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-82.2	-24.7	-177.9	-63.6	-172.9	-63	-94.4	8.5	113	E159 W161 S288 T289 K290 Q291 C365	E159-R293 PolarHBondContact O-NH1 3.04Å; E159-R293 PolarHBondContact O-NH2 3.15Å; E159-R293 IonicContact OE2-NH2 3.69Å; W161-R293 VanDerWaalsContact CD2-CZ 3.44Å; W161-R293 VanDerWaalsContact CG-NH1 3.35Å; S288-R293 PolarHBondContact O-NH1 2.93Å; S288-R293 PolarHBondContact OG-NH1 3.11Å; T289-R293 WeakPolarHBondContact O-CG 3.19Å; T289-R293 PolarHBondContact O-N 3.4Å; T289-R293 PolarHBondContact O-NH1 3.02Å; K290-R293 PolarHBondContact O-N 2.97Å; K290-R293 VanDerWaalsContact O-N 3.09Å; Q291-R293 VanDerWaalsContact C-N 3.31Å; R293-C365 PolarHBondContact O-SG 2.85Å
294	E	98.3	Very high	98.6	Very high	104 Å²	104	42.8 Å²	42.8	49%	0.486	23%	0.229	S	C	.	.	S	Bend	trans	-72.1	157.4	177.5	-71.9	173	175.4	0	0	112.1	K290 G296 G297 C365	K290-E294 WeakPolarHBondContact O-CG 3.08Å; K290-E294 PolarHBondContact O-N 3.23Å; E294-G296 PolarHBondContact O-N 3.46Å; E294-G297 WeakPolarHBondContact O-CA 3.46Å; E294-G297 PolarHBondContact O-N 3.08Å; E294-C365 WeakPolarHBondContact O-CB 3.29Å
295	S	98.1	Very high	98.6	Very high	125 Å²	125	43.3 Å²	43.3	87%	0.874	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	128.8	179.6	-179.6	0	0	0	0	111.4	G297	S295-G297 VanDerWaalsContact C-N 3.29Å
296	G	98.1	Very high	98.6	Very high	41 Å²	41	47.9 Å²	47.9	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	1.5	-172.9	0	0	0	0	0	114.1	E294 I298 T299 G364	E294-G296 PolarHBondContact O-N 3.46Å; G296-I298 PolarHBondContact O-N 2.88Å; G296-T299 PolarHBondContact O-N 3.2Å; G296-G364 CarbonylContact C-O 3.53Å; G296-G364 WeakPolarHBondContact CA-O 3.36Å; G296-G364 PolarHBondContact N-O 2.99Å
297	G	98.6	Very high	98.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.3	-179.4	0	0	0	0	0	115.4	Q291 E294 S295 T299 H300 I301 G364	Q291-G297 WeakPolarHBondContact O-CA 3.47Å; E294-G297 WeakPolarHBondContact O-CA 3.46Å; E294-G297 PolarHBondContact O-N 3.08Å; S295-G297 VanDerWaalsContact C-N 3.29Å; G297-T299 PolarHBondContact O-N 3.43Å; G297-H300 PolarHBondContact O-N 3.31Å; G297-I301 PolarHBondContact O-N 2.96Å; G297-I301 VanDerWaalsContact O-N 3.11Å; G297-G364 PolarHBondContact N-O 3.29Å
298	I	98.4	Very high	98.5	Very high	33 Å²	33	49.5 Å²	49.5	17%	0.169	26%	0.26	C	S	.	.	H	α-helix	trans	-54.4	-34.2	171.8	-165.6	67.4	0	0	0	112.3	G296 H300 I301 E302 I356 V360 G364	G296-I298 PolarHBondContact O-N 2.88Å; I298-H300 VanDerWaalsContact C-N 3.32Å; I298-H300 PolarHBondContact O-N 3.05Å; I298-I301 HydrophobicContact CD1-CB 4.44Å; I298-I301 HydrophobicContact CD1-CD1 4.26Å; I298-I301 WeakPolarHBondContact O-CB 3.1Å; I298-I301 PolarHBondContact O-N 3.3Å; I298-I301 VanDerWaalsContact O-N 3.12Å; I298-E302 WeakPolarHBondContact O-CG 3.47Å; I298-E302 PolarHBondContact O-N 3.13Å; I298-I356 HydrophobicContact CD1-CG2 4.08Å; I298-V360 HydrophobicContact CD1-CG1 4.12Å; I298-G364 WeakPolarHBondContact CB-O 3.25Å; I298-G364 PolarHBondContact N-O 3.36Å
299	T	98.4	Very high	98.5	Very high	72 Å²	72	51 Å²	51	44%	0.442	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-40.9	175.9	-57.2	0	0	0	0	111.5	G296 G297 I301 E302 E303	G296-T299 PolarHBondContact O-N 3.2Å; G297-T299 PolarHBondContact O-N 3.43Å; T299-I301 VanDerWaalsContact C-N 3.32Å; T299-I301 PolarHBondContact O-N 3.41Å; T299-E302 PolarHBondContact O-N 3.02Å; T299-E303 VanDerWaalsContact O-CG 3.31Å; T299-E303 WeakPolarHBondContact O-CG 2.86Å; T299-E303 PolarHBondContact O-N 2.92Å
300	H	98.6	Very high	98.4	Very high	73 Å²	73	57.2 Å²	57.2	34%	0.338	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-29.5	176	-65	-55.4	0	0	0	112.7	Q291 M292 G297 I298 E303 A304	Q291-H300 HydrophobicContact CB-CB 4.5Å; Q291-H300 VanDerWaalsContact CB-CD2 3.46Å; Q291-H300 WeakPolarHBondContact CB-CD2 3.28Å; M292-H300 HydrophobicContact CG-CB 3.88Å; G297-H300 PolarHBondContact O-N 3.31Å; I298-H300 VanDerWaalsContact C-N 3.32Å; I298-H300 PolarHBondContact O-N 3.05Å; H300-E303 IonicContact CE1-OE2 3.62Å; H300-E303 IonicContact CG-OE2 3.7Å; H300-E303 IonicContact ND1-OE2 3.65Å; H300-E303 PolarHBondContact ND1-OE2 3.36Å; H300-A304 WeakPolarHBondContact O-CB 3.25Å; H300-A304 PolarHBondContact O-N 3.03Å
301	I	98.8	Very high	98.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-46.4	172.1	-65.6	173.4	0	0	0	110.1	M292 G297 I298 T299 A304 V305 I356 V360 L368	M292-I301 HydrophobicContact CB-CD1 4.33Å; M292-I301 HydrophobicContact CB-CG1 3.8Å; M292-I301 HydrophobicContact CG-CG1 3.73Å; M292-I301 HydrophobicContact SD-CG1 3.99Å; G297-I301 PolarHBondContact O-N 2.96Å; G297-I301 VanDerWaalsContact O-N 3.11Å; I298-I301 HydrophobicContact CD1-CB 4.44Å; I298-I301 HydrophobicContact CD1-CD1 4.26Å; I298-I301 WeakPolarHBondContact O-CB 3.1Å; I298-I301 PolarHBondContact O-N 3.3Å; I298-I301 VanDerWaalsContact O-N 3.12Å; T299-I301 VanDerWaalsContact C-N 3.32Å; T299-I301 PolarHBondContact O-N 3.41Å; I301-A304 WeakPolarHBondContact O-CB 3.5Å; I301-A304 PolarHBondContact O-N 3.37Å; I301-V305 WeakPolarHBondContact O-CG2 3.09Å; I301-V305 PolarHBondContact O-N 2.71Å; I301-I356 HydrophobicContact CG2-CD1 3.96Å; I301-I356 HydrophobicContact CG2-CG1 4.06Å; I301-V360 HydrophobicContact CD1-CG1 3.53Å; I301-L368 HydrophobicContact CG2-CB 4.03Å
302	E	98.3	Very high	98.3	Very high	112 Å²	112	55.5 Å²	55.5	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-42.2	177.3	-69.7	173.3	162.4	0	0	111.7	I298 T299 A304 V305 E306	I298-E302 WeakPolarHBondContact O-CG 3.47Å; I298-E302 PolarHBondContact O-N 3.13Å; T299-E302 PolarHBondContact O-N 3.02Å; E302-A304 VanDerWaalsContact C-N 3.34Å; E302-A304 PolarHBondContact O-N 2.75Å; E302-V305 PolarHBondContact O-N 3.23Å; E302-E306 PolarHBondContact O-N 3.37Å
303	E	98.5	Very high	98.2	Very high	98 Å²	98	63.2 Å²	63.2	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-44.5	172.1	-74	170.7	173.5	0	0	111.8	T299 H300 E306 K307	T299-E303 VanDerWaalsContact O-CG 3.31Å; T299-E303 WeakPolarHBondContact O-CG 2.86Å; T299-E303 PolarHBondContact O-N 2.92Å; H300-E303 IonicContact CE1-OE2 3.62Å; H300-E303 IonicContact CG-OE2 3.7Å; H300-E303 IonicContact ND1-OE2 3.65Å; H300-E303 PolarHBondContact ND1-OE2 3.36Å; E303-E306 PolarHBondContact O-N 3.38Å; E303-K307 WeakPolarHBondContact O-CG 3.26Å; E303-K307 PolarHBondContact O-N 3.3Å
304	A	98.7	Very high	98.1	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-43.3	177.1	0	0	0	0	0	112.3	M292 H300 I301 E302 E306 K307 L308 L368 V390	M292-A304 HydrophobicContact CE-CB 3.38Å; H300-A304 WeakPolarHBondContact O-CB 3.25Å; H300-A304 PolarHBondContact O-N 3.03Å; I301-A304 WeakPolarHBondContact O-CB 3.5Å; I301-A304 PolarHBondContact O-N 3.37Å; E302-A304 VanDerWaalsContact C-N 3.34Å; E302-A304 PolarHBondContact O-N 2.75Å; A304-E306 VanDerWaalsContact C-N 3.26Å; A304-E306 PolarHBondContact O-N 3.41Å; A304-K307 PolarHBondContact O-N 3.22Å; A304-L308 VanDerWaalsContact O-CG 3.26Å; A304-L308 WeakPolarHBondContact O-CG 3.35Å; A304-L308 PolarHBondContact O-N 2.83Å; A304-L368 HydrophobicContact CB-CD2 3.83Å; A304-V390 HydrophobicContact CB-CB 4.36Å; A304-V390 HydrophobicContact CB-CG1 3.46Å; A304-V390 VanDerWaalsContact CB-CG1 3.46Å; A304-V390 HydrophobicContact CB-CG2 3.93Å
305	V	98.5	Very high	98.1	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-41.5	174.7	170.2	0	0	0	0	111	I301 E302 L308 S309 F343 A345 V354 L368	I301-V305 WeakPolarHBondContact O-CG2 3.09Å; I301-V305 PolarHBondContact O-N 2.71Å; E302-V305 PolarHBondContact O-N 3.23Å; V305-L308 PolarHBondContact O-N 2.74Å; V305-S309 PolarHBondContact O-N 2.84Å; V305-F343 HydrophobicContact CG1-CE1 4.05Å; V305-F343 HydrophobicContact CG1-CZ 4.17Å; V305-A345 HydrophobicContact CG1-CB 3.4Å; V305-A345 VanDerWaalsContact CG1-CB 3.4Å; V305-V354 HydrophobicContact CG2-CG1 3.91Å; V305-L368 HydrophobicContact CG2-CD2 4.28Å
306	E	98.3	Very high	98	Very high	96 Å²	96	55.3 Å²	55.3	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-34.3	177.6	176.4	57.2	-165.8	0	0	112.9	E302 E303 A304 S309 K310	E302-E306 PolarHBondContact O-N 3.37Å; E303-E306 PolarHBondContact O-N 3.38Å; A304-E306 VanDerWaalsContact C-N 3.26Å; A304-E306 PolarHBondContact O-N 3.41Å; E306-S309 PolarHBondContact O-OG 2.9Å; E306-S309 PolarHBondContact OE2-OG 3.03Å; E306-K310 WeakPolarHBondContact OE1-CE 3.43Å; E306-K310 IonicContact OE1-NZ 2.76Å; E306-K310 PolarHBondContact OE1-NZ 3.11Å
307	K	98.6	Very high	97.9	Very high	58 Å²	58	60.2 Å²	60.2	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-43.8	170.7	-67.2	-179.4	-170	-168.7	0	111.2	E303 A304 S309 K310 T389 V390 D393	E303-K307 WeakPolarHBondContact O-CG 3.26Å; E303-K307 PolarHBondContact O-N 3.3Å; A304-K307 PolarHBondContact O-N 3.22Å; K307-S309 VanDerWaalsContact C-N 3.3Å; K307-S309 PolarHBondContact O-N 3.22Å; K307-K310 PolarHBondContact O-N 2.79Å; K307-T389 HydrophobicContact CB-CG2 4.06Å; K307-T389 WeakPolarHBondContact CD-O 3.31Å; K307-V390 PolarHBondContact NZ-O 2.88Å; K307-D393 WeakPolarHBondContact CD-OD1 3.44Å; K307-D393 WeakPolarHBondContact CE-OD1 3.49Å; K307-D393 IonicContact NZ-OD1 2.78Å; K307-D393 PolarHBondContact NZ-OD1 2.82Å; K307-D393 IonicContact NZ-OD2 2.69Å; K307-D393 PolarHBondContact NZ-OD2 3.3Å
308	L	98.5	Very high	97.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-33.1	178.7	-68.2	171.2	0	0	0	112.8	A304 V305 K310 R311 H312 H315 F343 V354 L368 L386 T389 V390	A304-L308 VanDerWaalsContact O-CG 3.26Å; A304-L308 WeakPolarHBondContact O-CG 3.35Å; A304-L308 PolarHBondContact O-N 2.83Å; V305-L308 PolarHBondContact O-N 2.74Å; L308-K310 VanDerWaalsContact C-N 3.25Å; L308-K310 PolarHBondContact O-N 3.04Å; L308-R311 PolarHBondContact O-N 2.58Å; L308-H312 PolarHBondContact O-N 2.98Å; L308-H315 WeakPolarHBondContact CD2-CE1 3.38Å; L308-F343 HydrophobicContact CB-CE2 3.96Å; L308-F343 HydrophobicContact CB-CZ 4.04Å; L308-V354 HydrophobicContact CD1-CG2 4.23Å; L308-L368 HydrophobicContact CD1-CD1 4.34Å; L308-L368 HydrophobicContact CD1-CD2 4.21Å; L308-L386 HydrophobicContact CD1-CD2 4.32Å; L308-L386 HydrophobicContact CD2-CD2 3.88Å; L308-T389 HydrophobicContact CD2-CG2 4.08Å; L308-V390 HydrophobicContact CD1-CG2 4.47Å; L308-V390 HydrophobicContact CD2-CG2 4.12Å; L308-V390 HydrophobicContact CG-CG2 4.12Å
309	S	97.7	Very high	97.7	Very high	39 Å²	39	60.5 Å²	60.5	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-35.4	178.3	82.5	0	0	0	0	111.9	V305 E306 K307 R311 F343	V305-S309 PolarHBondContact O-N 2.84Å; E306-S309 PolarHBondContact O-OG 2.9Å; E306-S309 PolarHBondContact OE2-OG 3.03Å; K307-S309 VanDerWaalsContact C-N 3.3Å; K307-S309 PolarHBondContact O-N 3.22Å; S309-R311 VanDerWaalsContact C-N 3.34Å; S309-R311 PolarHBondContact O-N 3.15Å; S309-F343 VanDerWaalsContact CB-CD1 3.47Å
310	K	98	Very high	97.6	Very high	137 Å²	137	57.1 Å²	57.1	60%	0.596	26%	0.264	S	S	*	.	H	α-helix	trans	-77.4	-16.6	-179.9	-67.3	166.8	-177	151.1	0	114	E306 K307 L308	E306-K310 WeakPolarHBondContact OE1-CE 3.43Å; E306-K310 IonicContact OE1-NZ 2.76Å; E306-K310 PolarHBondContact OE1-NZ 3.11Å; K307-K310 PolarHBondContact O-N 2.79Å; L308-K310 VanDerWaalsContact C-N 3.25Å; L308-K310 PolarHBondContact O-N 3.04Å
311	R	97.4	Very high	97.3	Very high	87 Å²	87	54 Å²	54	33%	0.328	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	21.2	-176.6	-61.5	-66.9	-175.1	132.7	9	112.9	L308 S309 K313 E314 H315 T389 E394	L308-R311 PolarHBondContact O-N 2.58Å; S309-R311 VanDerWaalsContact C-N 3.34Å; S309-R311 PolarHBondContact O-N 3.15Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.16Å; R311-E314 VanDerWaalsContact CA-OE2 3.22Å; R311-E314 WeakPolarHBondContact CA-OE2 3.09Å; R311-E314 HydrophobicContact CB-CB 4.49Å; R311-E314 PolarHBondContact O-N 2.7Å; R311-H315 PolarHBondContact O-CD2 3.19Å; R311-H315 PolarHBondContact O-N 2.98Å; R311-T389 HydrophobicContact CB-CG2 4.16Å; R311-T389 HydrophobicContact CG-CG2 3.94Å; R311-E394 PolarHBondContact NH1-OXT 2.94Å; R311-E394 PolarHBondContact NH2-O 3.34Å; R311-E394 PolarHBondContact NH2-OXT 3.19Å
312	H	97.3	Very high	97	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-55.1	-44.5	-172.3	178.5	70.8	0	0	0	113.3	L308 H315 I316 V340 F343 R372	L308-H312 PolarHBondContact O-N 2.98Å; H312-H315 PolarHBondContact O-N 3.32Å; H312-I316 WeakPolarHBondContact O-CG1 3.38Å; H312-I316 PolarHBondContact O-N 3.4Å; H312-V340 PolarHBondContact NE2-O 2.65Å; H312-V340 VanDerWaalsContact NE2-O 3.09Å; H312-F343 HydrophobicContact CB-CB 4Å; H312-F343 HydrophobicContact CB-CD2 4.21Å; H312-F343 AromaticContact ND1-CD2 3.65Å; H312-R372 PolarHBondContact ND1-NH1 3.13Å
313	K	96.2	Very high	96.7	Very high	165 Å²	165	51.2 Å²	51.2	72%	0.717	25%	0.245	S	C	*	.	H	α-helix	trans	-67.1	-40	-177.7	-68	-179.7	-179.9	175.5	0	112	R311 I316 K317	R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.16Å; K313-I316 PolarHBondContact O-N 2.77Å; K313-K317 PolarHBondContact O-N 3.14Å; K313-K317 VanDerWaalsContact O-N 3.14Å
314	E	96.7	Very high	96.4	Very high	100 Å²	100	46.8 Å²	46.8	47%	0.467	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-43.6	178.3	-65.8	70.9	-161.1	0	0	110.5	R311 K317	R311-E314 VanDerWaalsContact CA-OE2 3.22Å; R311-E314 WeakPolarHBondContact CA-OE2 3.09Å; R311-E314 HydrophobicContact CB-CB 4.49Å; R311-E314 PolarHBondContact O-N 2.7Å; E314-K317 WeakPolarHBondContact O-CB 3.43Å; E314-K317 PolarHBondContact O-N 2.86Å
315	H	98	Very high	96.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-64.5	-48.2	174.6	-80.3	-106.2	0	0	0	112.1	L308 R311 H312 K317 V318 Y319 T389	L308-H315 WeakPolarHBondContact CD2-CE1 3.38Å; R311-H315 PolarHBondContact O-CD2 3.19Å; R311-H315 PolarHBondContact O-N 2.98Å; H312-H315 PolarHBondContact O-N 3.32Å; H315-K317 PolarHBondContact O-N 3.42Å; H315-V318 VanDerWaalsContact O-CG2 3.29Å; H315-V318 WeakPolarHBondContact O-CG2 3.3Å; H315-V318 PolarHBondContact O-N 3.47Å; H315-Y319 HydrophobicContact CB-CD2 4.27Å; H315-Y319 HydrophobicContact CB-CE1 4.19Å; H315-Y319 HydrophobicContact CB-CE2 3.88Å; H315-Y319 AromaticContact CG-CZ 3.97Å; H315-Y319 AromaticContact ND1-CE1 3.74Å; H315-Y319 AromaticContact ND1-CZ 3.29Å; H315-Y319 VanDerWaalsContact ND1-CZ 3.29Å; H315-Y319 PolarHBondContact ND1-OH 2.6Å; H315-Y319 VanDerWaalsContact O-CB 3.31Å; H315-Y319 WeakPolarHBondContact O-CB 3.37Å; H315-Y319 WeakPolarHBondContact O-CD1 3.22Å; H315-Y319 PolarHBondContact O-N 2.97Å; H315-Y319 VanDerWaalsContact O-N 3.08Å; H315-T389 PolarHBondContact NE2-OG1 2.84Å
316	I	96.9	Very high	96	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.077	25%	0.25	C	C	.	.	H	α-helix	trans	-55.6	-37.9	179	-69.7	-61.5	0	0	0	111.5	H312 K313 V318 Y319 G324 L331 V340 R372	H312-I316 WeakPolarHBondContact O-CG1 3.38Å; H312-I316 PolarHBondContact O-N 3.4Å; K313-I316 PolarHBondContact O-N 2.77Å; I316-V318 PolarHBondContact O-N 3.4Å; I316-Y319 PolarHBondContact O-N 3.12Å; I316-G324 WeakPolarHBondContact O-CA 3.44Å; I316-L331 HydrophobicContact CD1-CD1 3.89Å; I316-V340 HydrophobicContact CD1-CG2 4.35Å; I316-V340 HydrophobicContact CG2-CG2 3.82Å; I316-R372 HydrophobicContact CD1-CB 4.13Å; I316-R372 HydrophobicContact CD1-CG 4.4Å
317	K	95.4	Very high	95.9	Very high	144 Å²	144	47.1 Å²	47.1	63%	0.626	23%	0.228	S	C	*	.	H	α-helix	trans	-61.7	-26	178.7	-170.5	179.3	177.1	-173.3	0	113.8	K313 E314 H315 G323	K313-K317 PolarHBondContact O-N 3.14Å; K313-K317 VanDerWaalsContact O-N 3.14Å; E314-K317 WeakPolarHBondContact O-CB 3.43Å; E314-K317 PolarHBondContact O-N 2.86Å; H315-K317 PolarHBondContact O-N 3.42Å; K317-G323 CarbonylContact O-C 3.41Å; K317-G323 VanDerWaalsContact O-CA 3.22Å; K317-G323 WeakPolarHBondContact O-CA 3.27Å
318	V	95.5	Very high	95.7	Very high	40 Å²	40	48.3 Å²	48.3	24%	0.242	24%	0.237	C	C	.	.	H	α-helix	trans	-109.1	-0.7	-178.8	-59.7	0	0	0	0	113.3	H315 I316 D320 R381 A385	H315-V318 VanDerWaalsContact O-CG2 3.29Å; H315-V318 WeakPolarHBondContact O-CG2 3.3Å; H315-V318 PolarHBondContact O-N 3.47Å; I316-V318 PolarHBondContact O-N 3.4Å; V318-D320 VanDerWaalsContact C-N 3.33Å; V318-R381 HydrophobicContact CB-CB 4.28Å; V318-A385 HydrophobicContact CG2-CB 3.86Å
319	Y	97.6	Very high	95.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-91.2	9.9	-175.5	-82	10.5	0	0	0	114.1	H315 I316 N327 D370 R372 P373 A374 S377 V382 A385	H315-Y319 HydrophobicContact CB-CD2 4.27Å; H315-Y319 HydrophobicContact CB-CE1 4.19Å; H315-Y319 HydrophobicContact CB-CE2 3.88Å; H315-Y319 AromaticContact CG-CZ 3.97Å; H315-Y319 AromaticContact ND1-CE1 3.74Å; H315-Y319 AromaticContact ND1-CZ 3.29Å; H315-Y319 VanDerWaalsContact ND1-CZ 3.29Å; H315-Y319 PolarHBondContact ND1-OH 2.6Å; H315-Y319 VanDerWaalsContact O-CB 3.31Å; H315-Y319 WeakPolarHBondContact O-CB 3.37Å; H315-Y319 WeakPolarHBondContact O-CD1 3.22Å; H315-Y319 PolarHBondContact O-N 2.97Å; H315-Y319 VanDerWaalsContact O-N 3.08Å; I316-Y319 PolarHBondContact O-N 3.12Å; Y319-N327 PolarHBondContact O-ND2 2.91Å; Y319-D370 VanDerWaalsContact CE2-OD2 3.26Å; Y319-D370 WeakPolarHBondContact CE2-OD2 3.37Å; Y319-D370 PolarHBondContact OH-OD2 3.08Å; Y319-R372 HydrophobicContact CD2-CB 3.51Å; Y319-R372 HydrophobicContact CE2-CB 3.71Å; Y319-P373 HydrophobicContact CD1-CG 4.42Å; Y319-P373 HydrophobicContact CD2-CB 4.48Å; Y319-P373 HydrophobicContact CD2-CG 3.94Å; Y319-P373 HydrophobicContact CE1-CG 4.41Å; Y319-P373 HydrophobicContact CE2-CG 3.89Å; Y319-P373 HydrophobicContact CG-CB 4.38Å; Y319-P373 HydrophobicContact CG-CG 4.18Å; Y319-A374 VanDerWaalsContact O-CB 3.27Å; Y319-A374 WeakPolarHBondContact O-CB 3.4Å; Y319-A374 PolarHBondContact O-N 2.83Å; Y319-S377 WeakPolarHBondContact O-CB 3.45Å; Y319-V382 HydrophobicContact CD1-CB 4.49Å; Y319-V382 HydrophobicContact CD1-CG1 4.48Å; Y319-V382 HydrophobicContact CD1-CG2 3.91Å; Y319-V382 HydrophobicContact CE1-CB 4.28Å; Y319-V382 HydrophobicContact CE1-CG1 3.98Å; Y319-V382 HydrophobicContact CE1-CG2 4.19Å; Y319-A385 HydrophobicContact CE1-CB 4.48Å
320	D	96.3	Very high	95.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.242	C	C	.	.	S	Bend	trans	-149.8	171.8	160.8	64.7	53.7	0	0	0	110.4	V318 H322 G323 G324 M325 D326 N327 A374	V318-D320 VanDerWaalsContact C-N 3.33Å; D320-H322 PolarHBondContact O-N 3.31Å; D320-H322 VanDerWaalsContact OD1-CA 3.28Å; D320-H322 WeakPolarHBondContact OD1-CA 3.39Å; D320-H322 PolarHBondContact OD1-N 2.82Å; D320-G323 PolarHBondContact OD1-N 2.67Å; D320-G324 VanDerWaalsContact CG-N 3.3Å; D320-G324 PolarHBondContact OD1-N 2.99Å; D320-G324 WeakPolarHBondContact OD2-CA 3.05Å; D320-G324 PolarHBondContact OD2-N 2.86Å; D320-M325 PolarHBondContact OD2-N 2.81Å; D320-D326 HydrophobicContact CB-CB 3.99Å; D320-D326 PolarHBondContact OD2-N 3.01Å; D320-N327 WeakPolarHBondContact OD2-CB 3.23Å; D320-N327 PolarHBondContact OD2-N 2.83Å; D320-A374 HydrophobicContact CB-CB 3.75Å
321	A	92.4	Very high	95.4	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.9	-178.6	0	0	0	0	0	113.8	E51 I139	E51-A321 HydrophobicContact CG-CB 3.31Å; E51-A321 WeakPolarHBondContact OE2-CB 3.47Å; I139-A321 WeakPolarHBondContact CD1-O 3.19Å
322	H	92.5	Very high	95.1	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.111	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	38.2	-170.3	-59.2	112.8	0	0	0	112.6	E51 V137 D320 G324 M325 D326	E51-H322 IonicContact OE1-CE1 2.82Å; E51-H322 PolarHBondContact OE1-CE1 3.45Å; E51-H322 IonicContact OE1-NE2 2.81Å; E51-H322 IonicContact OE2-CE1 2.87Å; V137-H322 HydrophobicContact CG2-CB 4.15Å; V137-H322 WeakPolarHBondContact CG2-O 3.4Å; D320-H322 PolarHBondContact O-N 3.31Å; D320-H322 VanDerWaalsContact OD1-CA 3.28Å; D320-H322 WeakPolarHBondContact OD1-CA 3.39Å; D320-H322 PolarHBondContact OD1-N 2.82Å; H322-G324 VanDerWaalsContact C-N 3.33Å; H322-G324 PolarHBondContact O-N 2.76Å; H322-M325 HydrophobicContact CB-CB 4.33Å; H322-M325 VanDerWaalsContact O-CB 3.3Å; H322-M325 WeakPolarHBondContact O-CB 3.45Å; H322-M325 VanDerWaalsContact O-CG 3.27Å; H322-M325 WeakPolarHBondContact O-CG 3.31Å; H322-M325 PolarHBondContact O-N 3.15Å; H322-D326 IonicContact CE1-OD2 2.89Å; H322-D326 IonicContact CG-OD2 2.78Å; H322-D326 IonicContact ND1-OD1 2.69Å; H322-D326 IonicContact ND1-OD2 3.54Å; H322-D326 PolarHBondContact ND1-OD2 3.06Å
323	G	91.5	Very high	94.5	Very high	29 Å²	29	45.7 Å²	45.7	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	21.1	165.5	0	0	0	0	0	115.4	K317 D320	K317-G323 CarbonylContact O-C 3.41Å; K317-G323 VanDerWaalsContact O-CA 3.22Å; K317-G323 WeakPolarHBondContact O-CA 3.27Å; D320-G323 PolarHBondContact OD1-N 2.67Å
324	G	93	Very high	93.8	Very high	6 Å²	6	46.6 Å²	46.6	6%	0.062	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	-10.7	-174.5	0	0	0	0	0	113.6	I316 D320 H322 N327 L328	I316-G324 WeakPolarHBondContact O-CA 3.44Å; D320-G324 VanDerWaalsContact CG-N 3.3Å; D320-G324 PolarHBondContact OD1-N 2.99Å; D320-G324 WeakPolarHBondContact OD2-CA 3.05Å; D320-G324 PolarHBondContact OD2-N 2.86Å; H322-G324 VanDerWaalsContact C-N 3.33Å; H322-G324 PolarHBondContact O-N 2.76Å; G324-N327 PolarHBondContact O-N 2.88Å; G324-L328 WeakPolarHBondContact O-CG 3.19Å; G324-L328 PolarHBondContact O-N 3.45Å
325	M	94.4	Very high	93	Very high	102 Å²	102	44.3 Å²	44.3	50%	0.502	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-32.4	-172.7	-66.3	-57.7	-59.6	0	0	113.1	D320 H322 L328	D320-M325 PolarHBondContact OD2-N 2.81Å; H322-M325 HydrophobicContact CB-CB 4.33Å; H322-M325 VanDerWaalsContact O-CB 3.3Å; H322-M325 WeakPolarHBondContact O-CB 3.45Å; H322-M325 VanDerWaalsContact O-CG 3.27Å; H322-M325 WeakPolarHBondContact O-CG 3.31Å; H322-M325 PolarHBondContact O-N 3.15Å; M325-L328 HydrophobicContact CE-CD1 3.69Å; M325-L328 HydrophobicContact SD-CD1 3.83Å
326	D	94.9	Very high	92.1	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-41.6	176.3	-72.2	-38.1	0	0	0	110.9	P271 D320 H322 L328 R329 N376	P271-D326 HydrophobicContact CG-CB 3.62Å; D320-D326 HydrophobicContact CB-CB 3.99Å; D320-D326 PolarHBondContact OD2-N 3.01Å; H322-D326 IonicContact CE1-OD2 2.89Å; H322-D326 IonicContact CG-OD2 2.78Å; H322-D326 IonicContact ND1-OD1 2.69Å; H322-D326 IonicContact ND1-OD2 3.54Å; H322-D326 PolarHBondContact ND1-OD2 3.06Å; D326-L328 PolarHBondContact O-N 2.83Å; D326-R329 WeakPolarHBondContact O-CB 3.27Å; D326-R329 PolarHBondContact O-N 3.4Å; D326-R329 IonicContact OD1-CZ 2.82Å; D326-R329 IonicContact OD1-NH2 3.23Å; D326-R329 PolarHBondContact OD1-NH2 3.45Å; D326-N376 PolarHBondContact OD2-ND2 3.22Å
327	N	94.9	Very high	91.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.3	-24	179.8	-110.1	-20.9	0	0	0	113.1	Y319 D320 G324 R329 R330 L331 R372	Y319-N327 PolarHBondContact O-ND2 2.91Å; D320-N327 WeakPolarHBondContact OD2-CB 3.23Å; D320-N327 PolarHBondContact OD2-N 2.83Å; G324-N327 PolarHBondContact O-N 2.88Å; N327-R329 PolarHBondContact O-N 3.02Å; N327-R329 VanDerWaalsContact O-N 3.12Å; N327-R330 PolarHBondContact O-N 2.84Å; N327-R330 VanDerWaalsContact OD1-CZ 3.31Å; N327-R330 PolarHBondContact OD1-NE 3.22Å; N327-R330 PolarHBondContact OD1-NH2 3.41Å; N327-L331 HydrophobicContact CB-CD1 4.12Å; N327-L331 HydrophobicContact CB-CG 4.42Å; N327-L331 PolarHBondContact O-N 3.43Å; N327-R372 PolarHBondContact ND2-O 3.5Å
328	L	94.8	Very high	90.9	Very high	83 Å²	83	42.3 Å²	42.3	44%	0.435	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-54.5	-30.1	172.5	-65.6	179.4	0	0	0	112.7	G324 M325 D326 V340	G324-L328 WeakPolarHBondContact O-CG 3.19Å; G324-L328 PolarHBondContact O-N 3.45Å; M325-L328 HydrophobicContact CE-CD1 3.69Å; M325-L328 HydrophobicContact SD-CD1 3.83Å; D326-L328 PolarHBondContact O-N 2.83Å; L328-V340 HydrophobicContact CD2-CB 4.3Å; L328-V340 HydrophobicContact CD2-CG1 3.6Å; L328-V340 HydrophobicContact CD2-CG2 3.96Å
329	R	95.8	Very high	90.6	Very high	91 Å²	91	42.3 Å²	42.3	34%	0.343	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-79.9	-22.8	179.4	-60.3	-179.8	-72.6	119.4	-8.4	112.8	D270 K272 D326 N327	D270-R329 IonicContact OD1-CZ 3.31Å; D270-R329 IonicContact OD1-NH1 3.64Å; D270-R329 PolarHBondContact OD1-NH1 2.9Å; D270-R329 IonicContact OD1-NH2 2.67Å; D270-R329 IonicContact OD2-CZ 3.54Å; D270-R329 IonicContact OD2-NH1 3.35Å; D270-R329 PolarHBondContact OD2-NH1 2.89Å; D270-R329 IonicContact OD2-NH2 3.95Å; D270-R329 PolarHBondContact OD2-NH2 3.31Å; K272-R329 HydrophobicContact CB-CB 3.68Å; K272-R329 HydrophobicContact CG-CB 4.17Å; K272-R329 WeakPolarHBondContact CG-O 3.26Å; K272-R329 PolarHBondContact O-NH1 2.91Å; D326-R329 WeakPolarHBondContact O-CB 3.27Å; D326-R329 PolarHBondContact O-N 3.4Å; D326-R329 IonicContact OD1-CZ 2.82Å; D326-R329 IonicContact OD1-NH2 3.23Å; D326-R329 PolarHBondContact OD1-NH2 3.45Å; N327-R329 PolarHBondContact O-N 3.02Å; N327-R329 VanDerWaalsContact O-N 3.12Å
330	R	96.5	Very high	90.2	Very high	8 Å²	8	43.7 Å²	43.7	3%	0.03	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-52.1	-175.8	-176.4	-179.6	69.1	95.1	3.2	112.7	P271 A281 N327 V332 T337 R371 R372 P373	P271-R330 HydrophobicContact CB-CB 4.11Å; P271-R330 WeakPolarHBondContact O-CB 3.5Å; P271-R330 WeakPolarHBondContact O-CD 3.41Å; P271-R330 WeakPolarHBondContact O-CG 3.48Å; A281-R330 WeakPolarHBondContact O-CD 3.24Å; N327-R330 PolarHBondContact O-N 2.84Å; N327-R330 VanDerWaalsContact OD1-CZ 3.31Å; N327-R330 PolarHBondContact OD1-NE 3.22Å; N327-R330 PolarHBondContact OD1-NH2 3.41Å; R330-V332 VanDerWaalsContact C-N 3.31Å; R330-V332 PolarHBondContact O-N 2.73Å; R330-T337 HydrophobicContact CG-CG2 4.29Å; R330-T337 PolarHBondContact O-OG1 2.93Å; R330-R371 PolarHBondContact NH1-O 3.17Å; R330-R372 PolarHBondContact NH2-O 2.84Å; R330-P373 PolarHBondContact NH2-O 3.02Å; R330-P373 VanDerWaalsContact NH2-O 3.14Å
331	L	94.9	Very high	90	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.26	C	S	.	.			trans	-82.4	70.6	-173.4	-66.2	-178.1	0	0	0	111.5	I316 N327 T337 S338 V340 R372	I316-L331 HydrophobicContact CD1-CD1 3.89Å; N327-L331 HydrophobicContact CB-CD1 4.12Å; N327-L331 HydrophobicContact CB-CG 4.42Å; N327-L331 PolarHBondContact O-N 3.43Å; L331-T337 HydrophobicContact CD2-CG2 4.37Å; L331-S338 CarbonylContact C-O 3.1Å; L331-S338 VanDerWaalsContact CA-O 3.31Å; L331-S338 WeakPolarHBondContact CA-O 3.28Å; L331-V340 HydrophobicContact CB-CB 3.85Å; L331-V340 HydrophobicContact CB-CG2 4.44Å; L331-V340 HydrophobicContact CD1-CB 4.48Å; L331-V340 HydrophobicContact CD1-CG2 4.35Å; L331-V340 PolarHBondContact O-N 2.92Å; L331-R372 HydrophobicContact CD1-CB 4.49Å
332	V	92.1	Very high	90	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.448	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-108.6	10.8	-174.4	-60.2	0	0	0	0	113.6	R330 R334 S338	R330-V332 VanDerWaalsContact C-N 3.31Å; R330-V332 PolarHBondContact O-N 2.73Å; V332-R334 VanDerWaalsContact C-N 3.28Å; V332-R334 HydrophobicContact CG2-CB 4.27Å; V332-R334 PolarHBondContact O-N 3.19Å; V332-S338 PolarHBondContact N-O 3.25Å
333	G	84.4	Confident	90.2	Very high	47 Å²	47	54.9 Å²	54.9	49%	0.485	29%	0.292	S	S	.	.	S	Bend	trans	72.9	16.6	-178.4	0	0	0	0	0	114.6	T337 S338	G333-T337 CarbonylContact C-O 3.54Å; G333-T337 VanDerWaalsContact CA-O 3.27Å; G333-T337 WeakPolarHBondContact CA-O 3.26Å; G333-S338 PolarHBondContact N-O 3.02Å; G333-S338 VanDerWaalsContact N-O 3.09Å
334	R	80.7	Confident	90.5	Very high	183 Å²	183	55.5 Å²	55.5	69%	0.691	29%	0.292	S	S	*	.			trans	-134.4	168.6	178.2	-61.2	-175.5	-177.5	-175.7	0.9	109.5	V332 E336 T337	V332-R334 VanDerWaalsContact C-N 3.28Å; V332-R334 HydrophobicContact CG2-CB 4.27Å; V332-R334 PolarHBondContact O-N 3.19Å; R334-E336 VanDerWaalsContact C-N 3.31Å; R334-E336 PolarHBondContact O-N 3.32Å; R334-T337 PolarHBondContact O-N 2.92Å; R334-T337 PolarHBondContact O-OG1 3.47Å
335	M	81.1	Confident	90.6	Very high	52 Å²	52	57.4 Å²	57.4	26%	0.256	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	47.7	178.9	-57.9	161.9	-155.1	0	0	112.1	K272 G276 D277 T337	K272-M335 PolarHBondContact NZ-SD 3.41Å; G276-M335 WeakPolarHBondContact O-CE 3.43Å; D277-M335 HydrophobicContact CB-CE 4.39Å; M335-T337 PolarHBondContact O-N 3.12Å
336	E	79	Confident	90.7	Very high	96 Å²	96	53.5 Å²	53.5	45%	0.449	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	29.3	177.5	-52.6	-178.7	-161.4	0	0	114.7	R334 R350	R334-E336 VanDerWaalsContact C-N 3.31Å; R334-E336 PolarHBondContact O-N 3.32Å; E336-R350 HydrophobicContact CB-CB 4.39Å; E336-R350 VanDerWaalsContact OE2-CD 3.28Å; E336-R350 WeakPolarHBondContact OE2-CD 3.28Å; E336-R350 IonicContact OE2-NH1 3.64Å
337	T	79.4	Confident	90.8	Very high	19 Å²	19	57 Å²	57	12%	0.117	31%	0.311	C	S	.	.			trans	-118.5	153.7	173.1	66.5	0	0	0	0	111.5	R330 L331 G333 R334 M335	R330-T337 HydrophobicContact CG-CG2 4.29Å; R330-T337 PolarHBondContact O-OG1 2.93Å; L331-T337 HydrophobicContact CD2-CG2 4.37Å; G333-T337 CarbonylContact C-O 3.54Å; G333-T337 VanDerWaalsContact CA-O 3.27Å; G333-T337 WeakPolarHBondContact CA-O 3.26Å; R334-T337 PolarHBondContact O-N 2.92Å; R334-T337 PolarHBondContact O-OG1 3.47Å; M335-T337 PolarHBondContact O-N 3.12Å
338	S	87.2	Confident	90.7	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.028	32%	0.324	C	S	.	.			trans	-79	174.1	169.9	62.3	0	0	0	0	111.9	L331 V332 G333 G351 S353	L331-S338 CarbonylContact C-O 3.1Å; L331-S338 VanDerWaalsContact CA-O 3.31Å; L331-S338 WeakPolarHBondContact CA-O 3.28Å; V332-S338 PolarHBondContact N-O 3.25Å; G333-S338 PolarHBondContact N-O 3.02Å; G333-S338 VanDerWaalsContact N-O 3.09Å; S338-G351 VanDerWaalsContact CA-O 3.3Å; S338-G351 WeakPolarHBondContact CA-O 3.29Å; S338-G351 WeakPolarHBondContact CB-O 3.45Å; S338-G351 PolarHBondContact N-O 2.93Å; S338-S353 VanDerWaalsContact CB-OG 3.23Å; S338-S353 WeakPolarHBondContact CB-OG 3.34Å; S338-S353 PolarHBondContact OG-OG 3.02Å
339	S	89.5	Confident	90.6	Very high	39 Å²	39	59.3 Å²	59.3	27%	0.273	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-76.8	139.6	167.2	179.3	0	0	0	0	110.4	S341 E342	S339-S341 PolarHBondContact O-N 2.99Å; S339-S341 PolarHBondContact OG-N 3.47Å; S339-S341 PolarHBondContact OG-OG 2.95Å; S339-E342 PolarHBondContact O-N 3.46Å
340	V	89.9	Confident	90.3	Very high	30 Å²	30	60.1 Å²	60.1	18%	0.182	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.8	173.4	72	0	0	0	0	114.1	H312 I316 L328 L331	H312-V340 PolarHBondContact NE2-O 2.65Å; H312-V340 VanDerWaalsContact NE2-O 3.09Å; I316-V340 HydrophobicContact CD1-CG2 4.35Å; I316-V340 HydrophobicContact CG2-CG2 3.82Å; L328-V340 HydrophobicContact CD2-CB 4.3Å; L328-V340 HydrophobicContact CD2-CG1 3.6Å; L328-V340 HydrophobicContact CD2-CG2 3.96Å; L331-V340 HydrophobicContact CB-CB 3.85Å; L331-V340 HydrophobicContact CB-CG2 4.44Å; L331-V340 HydrophobicContact CD1-CB 4.48Å; L331-V340 HydrophobicContact CD1-CG2 4.35Å; L331-V340 PolarHBondContact O-N 2.92Å
341	S	90.7	Very high	90	Very high	82 Å²	82	61 Å²	61	57%	0.573	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-19.5	-176.1	61.3	0	0	0	0	114.1	S339	S339-S341 PolarHBondContact O-N 2.99Å; S339-S341 PolarHBondContact OG-N 3.47Å; S339-S341 PolarHBondContact OG-OG 2.95Å
342	E	92.8	Very high	89.9	Confident	136 Å²	136	60.9 Å²	60.9	64%	0.636	34%	0.339	S	S	*	.			trans	-124	126.9	-169.6	-69.2	179.4	-175.6	0	0	111	S339 S353	S339-E342 PolarHBondContact O-N 3.46Å; E342-S353 PolarHBondContact O-OG 3.21Å
343	F	96.9	Very high	90.2	Very high	48 Å²	48	57.4 Å²	57.4	21%	0.211	32%	0.318	C	S	.	.			trans	-78.5	136.9	169.4	-172.2	-89.8	0	0	0	110.1	V305 L308 S309 H312 A345 V354	V305-F343 HydrophobicContact CG1-CE1 4.05Å; V305-F343 HydrophobicContact CG1-CZ 4.17Å; L308-F343 HydrophobicContact CB-CE2 3.96Å; L308-F343 HydrophobicContact CB-CZ 4.04Å; S309-F343 VanDerWaalsContact CB-CD1 3.47Å; H312-F343 HydrophobicContact CB-CB 4Å; H312-F343 HydrophobicContact CB-CD2 4.21Å; H312-F343 AromaticContact ND1-CD2 3.65Å; F343-A345 HydrophobicContact CE1-CB 4.1Å; F343-V354 HydrophobicContact CE2-CG2 3.67Å; F343-V354 HydrophobicContact CZ-CB 4.16Å; F343-V354 HydrophobicContact CZ-CG2 3.64Å
344	S	96.8	Very high	90.8	Very high	42 Å²	42	55.1 Å²	55.1	29%	0.294	29%	0.294	S	S	.	.			trans	-145	149.1	172.5	53.6	0	0	0	0	109.6	A352 S353 V354	S344-A352 WeakPolarHBondContact OG-CA 3.17Å; S344-S353 WeakPolarHBondContact O-CA 3.29Å; S344-S353 VanDerWaalsContact O-CB 3.27Å; S344-S353 WeakPolarHBondContact O-CB 3.33Å; S344-S353 PolarHBondContact O-N 3.28Å; S344-S353 PolarHBondContact OG-N 2.62Å; S344-S353 VanDerWaalsContact OG-N 3.12Å; S344-V354 PolarHBondContact O-N 3.06Å
345	A	96.9	Very high	91.7	Very high	46 Å²	46	48.4 Å²	48.4	38%	0.38	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.1	173.7	0	0	0	0	0	110.9	V305 F343 V354	V305-A345 HydrophobicContact CG1-CB 3.4Å; V305-A345 VanDerWaalsContact CG1-CB 3.4Å; F343-A345 HydrophobicContact CE1-CB 4.1Å; A345-V354 WeakPolarHBondContact CA-O 3.27Å; A345-V354 HydrophobicContact CB-CB 4.31Å
346	G	96.1	Very high	92.5	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	155.7	176.8	0	0	0	0	0	114.8	A348 V354 I356	G346-A348 PolarHBondContact O-N 3.12Å; G346-V354 PolarHBondContact N-O 2.69Å; G346-I356 PolarHBondContact O-N 2.8Å
347	I	95.8	Very high	93.4	Very high	95 Å²	95	42.5 Å²	42.5	49%	0.487	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.2	175.3	-60.7	169.7	0	0	0	108.9	H349 I356 A361	I347-H349 PolarHBondContact O-N 3.16Å; I347-I356 CarbonylContact C-O 3.39Å; I347-I356 WeakPolarHBondContact CA-O 3.36Å; I347-I356 HydrophobicContact CG1-CB 4.45Å; I347-A361 HydrophobicContact CD1-CB 3.91Å; I347-A361 HydrophobicContact CG1-CB 4.15Å; I347-A361 HydrophobicContact CG2-CB 3.84Å
348	A	93.4	Very high	94.3	Very high	32 Å²	32	48.6 Å²	48.6	26%	0.264	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	21.2	-179.4	0	0	0	0	0	114.9	G346 R350 I356 R358	G346-A348 PolarHBondContact O-N 3.12Å; A348-R350 PolarHBondContact O-N 3.26Å; A348-I356 PolarHBondContact N-O 3.25Å; A348-R358 HydrophobicContact CB-CB 4.19Å
349	H	92.8	Very high	94.8	Very high	100 Å²	100	55 Å²	55	46%	0.463	29%	0.293	S	S	.	.			trans	-92	97.4	-176.8	-171.1	-167.4	0	0	0	110.5	I347 G351 A352	I347-H349 PolarHBondContact O-N 3.16Å; H349-G351 VanDerWaalsContact C-N 3.26Å; H349-G351 PolarHBondContact O-N 3.03Å; H349-A352 HydrophobicContact CB-CB 4.03Å; H349-A352 WeakPolarHBondContact O-CB 3.28Å; H349-A352 PolarHBondContact O-N 3.26Å; H349-A352 VanDerWaalsContact O-N 3.13Å
350	R	88.5	Confident	95.2	Very high	108 Å²	108	53.5 Å²	53.5	41%	0.408	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.8	-178	-70.4	-173	175.4	-102.6	-0.9	114	E336 A348 A352 R371	E336-R350 HydrophobicContact CB-CB 4.39Å; E336-R350 VanDerWaalsContact OE2-CD 3.28Å; E336-R350 WeakPolarHBondContact OE2-CD 3.28Å; E336-R350 IonicContact OE2-NH1 3.64Å; A348-R350 PolarHBondContact O-N 3.26Å; R350-A352 VanDerWaalsContact C-N 3.29Å; R350-A352 PolarHBondContact O-N 2.96Å; R350-R371 PolarHBondContact O-NE 3.44Å
351	G	90.2	Very high	95.5	Very high	26 Å²	26	53.4 Å²	53.4	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.7	175.8	0	0	0	0	0	115	S338 H349	S338-G351 VanDerWaalsContact CA-O 3.3Å; S338-G351 WeakPolarHBondContact CA-O 3.29Å; S338-G351 WeakPolarHBondContact CB-O 3.45Å; S338-G351 PolarHBondContact N-O 2.93Å; H349-G351 VanDerWaalsContact C-N 3.26Å; H349-G351 PolarHBondContact O-N 3.03Å
352	A	94.4	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-82.1	157.2	176.7	0	0	0	0	0	111.9	S344 H349 R350	S344-A352 WeakPolarHBondContact OG-CA 3.17Å; H349-A352 HydrophobicContact CB-CB 4.03Å; H349-A352 WeakPolarHBondContact O-CB 3.28Å; H349-A352 PolarHBondContact O-N 3.26Å; H349-A352 VanDerWaalsContact O-N 3.13Å; R350-A352 VanDerWaalsContact C-N 3.29Å; R350-A352 PolarHBondContact O-N 2.96Å
353	S	97	Very high	96.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-67	-42.3	173	-65.7	0	0	0	0	111.8	S338 E342 S344 R371	S338-S353 VanDerWaalsContact CB-OG 3.23Å; S338-S353 WeakPolarHBondContact CB-OG 3.34Å; S338-S353 PolarHBondContact OG-OG 3.02Å; E342-S353 PolarHBondContact O-OG 3.21Å; S344-S353 WeakPolarHBondContact O-CA 3.29Å; S344-S353 VanDerWaalsContact O-CB 3.27Å; S344-S353 WeakPolarHBondContact O-CB 3.33Å; S344-S353 PolarHBondContact O-N 3.28Å; S344-S353 PolarHBondContact OG-N 2.62Å; S344-S353 VanDerWaalsContact OG-N 3.12Å; S353-R371 PolarHBondContact O-N 3.14Å
354	V	98.2	Very high	96.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.8	172	178.6	0	0	0	0	109.8	V305 L308 F343 S344 A345 G346 L368 E369	V305-V354 HydrophobicContact CG2-CG1 3.91Å; L308-V354 HydrophobicContact CD1-CG2 4.23Å; F343-V354 HydrophobicContact CE2-CG2 3.67Å; F343-V354 HydrophobicContact CZ-CB 4.16Å; F343-V354 HydrophobicContact CZ-CG2 3.64Å; S344-V354 PolarHBondContact O-N 3.06Å; A345-V354 WeakPolarHBondContact CA-O 3.27Å; A345-V354 HydrophobicContact CB-CB 4.31Å; G346-V354 PolarHBondContact N-O 2.69Å; V354-L368 HydrophobicContact CG1-CB 4.06Å; V354-L368 HydrophobicContact CG1-CD1 4.09Å; V354-L368 HydrophobicContact CG1-CG 4.5Å; V354-E369 CarbonylContact C-O 3.58Å; V354-E369 WeakPolarHBondContact CA-O 3.46Å
355	R	98.2	Very high	96.2	Very high	41 Å²	41	51.5 Å²	51.5	16%	0.155	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134	176.8	-171.2	176.8	76.2	145.8	-2.7	109.8	E369	R355-E369 HydrophobicContact CB-CB 4.34Å; R355-E369 IonicContact CZ-OE2 3.88Å; R355-E369 PolarHBondContact N-O 3.46Å; R355-E369 IonicContact NE-OE2 3.76Å; R355-E369 PolarHBondContact NE-OE2 3.47Å; R355-E369 IonicContact NH2-OE2 3.51Å; R355-E369 PolarHBondContact NH2-OE2 2.85Å; R355-E369 PolarHBondContact O-N 2.97Å
356	I	98.5	Very high	96.3	Very high	14 Å²	14	50 Å²	50	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.7	163.7	-59.8	174.5	0	0	0	106.6	I298 I301 G346 I347 A348 V360 A361	I298-I356 HydrophobicContact CD1-CG2 4.08Å; I301-I356 HydrophobicContact CG2-CD1 3.96Å; I301-I356 HydrophobicContact CG2-CG1 4.06Å; G346-I356 PolarHBondContact O-N 2.8Å; I347-I356 CarbonylContact C-O 3.39Å; I347-I356 WeakPolarHBondContact CA-O 3.36Å; I347-I356 HydrophobicContact CG1-CB 4.45Å; A348-I356 PolarHBondContact N-O 3.25Å; I356-V360 HydrophobicContact CG2-CB 4.17Å; I356-V360 HydrophobicContact CG2-CG1 3.88Å; I356-A361 HydrophobicContact CG2-CB 4.46Å
357	P	98.3	Very high	96.5	Very high	10 Å²	10	53.4 Å²	53.4	7%	0.065	27%	0.273	C	S	.	.			trans	-57.3	146.3	178.7	-22.4	30.9	0	0	0	111.7	Q359 V360 A361 Y367	P357-Q359 VanDerWaalsContact C-N 3.29Å; P357-Q359 PolarHBondContact O-N 3.37Å; P357-V360 HydrophobicContact CB-CB 4.29Å; P357-V360 HydrophobicContact CB-CG2 3.92Å; P357-V360 HydrophobicContact CG-CB 4.48Å; P357-V360 HydrophobicContact CG-CG2 3.89Å; P357-V360 WeakPolarHBondContact O-CB 3.44Å; P357-V360 PolarHBondContact O-N 3.19Å; P357-A361 PolarHBondContact O-N 3.24Å; P357-A361 VanDerWaalsContact O-N 3.15Å; P357-Y367 WeakPolarHBondContact CD-O 3.3Å; P357-Y367 HydrophobicContact CG-CD2 4.11Å; P357-Y367 HydrophobicContact CG-CE1 4.37Å; P357-Y367 HydrophobicContact CG-CE2 3.45Å; P357-Y367 VanDerWaalsContact CG-CE2 3.45Å
358	R	98.1	Very high	96.6	Very high	148 Å²	148	48.9 Å²	48.9	56%	0.558	25%	0.25	S	C	*	.	H	α-helix	trans	-56.3	-45.4	-178.9	-173.1	165.2	-65.2	-78	-1.9	112	A348 V360 A361 D362	A348-R358 HydrophobicContact CB-CB 4.19Å; R358-V360 VanDerWaalsContact C-N 3.27Å; R358-V360 PolarHBondContact O-N 3Å; R358-A361 PolarHBondContact O-N 2.69Å; R358-A361 VanDerWaalsContact O-N 3.15Å; R358-D362 VanDerWaalsContact O-CG 3.25Å; R358-D362 PolarHBondContact O-N 3.25Å
359	Q	97.4	Very high	96.8	Very high	139 Å²	139	47.4 Å²	47.4	65%	0.65	24%	0.237	S	C	*	.	H	α-helix	trans	-62	-33.2	178.5	-172.2	175.8	10.9	0	0	113	P357 N363	P357-Q359 VanDerWaalsContact C-N 3.29Å; P357-Q359 PolarHBondContact O-N 3.37Å; Q359-N363 VanDerWaalsContact O-CB 3.25Å; Q359-N363 WeakPolarHBondContact O-CB 3.37Å; Q359-N363 PolarHBondContact O-N 2.97Å; Q359-N363 PolarHBondContact O-ND2 2.82Å
360	V	98.2	Very high	97.1	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-43.3	176	170	0	0	0	0	110.5	I298 I301 I356 P357 R358 G364 C365 Y367	I298-V360 HydrophobicContact CD1-CG1 4.12Å; I301-V360 HydrophobicContact CD1-CG1 3.53Å; I356-V360 HydrophobicContact CG2-CB 4.17Å; I356-V360 HydrophobicContact CG2-CG1 3.88Å; P357-V360 HydrophobicContact CB-CB 4.29Å; P357-V360 HydrophobicContact CB-CG2 3.92Å; P357-V360 HydrophobicContact CG-CB 4.48Å; P357-V360 HydrophobicContact CG-CG2 3.89Å; P357-V360 WeakPolarHBondContact O-CB 3.44Å; P357-V360 PolarHBondContact O-N 3.19Å; R358-V360 VanDerWaalsContact C-N 3.27Å; R358-V360 PolarHBondContact O-N 3Å; V360-G364 PolarHBondContact O-N 3.47Å; V360-C365 PolarHBondContact O-N 3.32Å; V360-Y367 HydrophobicContact CG2-CD1 3.91Å; V360-Y367 HydrophobicContact CG2-CE1 3.96Å; V360-Y367 HydrophobicContact CG2-CG 4.43Å
361	A	96.8	Very high	97.6	Very high	28 Å²	28	38.2 Å²	38.2	23%	0.231	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-43.1	175.5	0	0	0	0	0	111.9	I347 I356 P357 R358 G364	I347-A361 HydrophobicContact CD1-CB 3.91Å; I347-A361 HydrophobicContact CG1-CB 4.15Å; I347-A361 HydrophobicContact CG2-CB 3.84Å; I356-A361 HydrophobicContact CG2-CB 4.46Å; P357-A361 PolarHBondContact O-N 3.24Å; P357-A361 VanDerWaalsContact O-N 3.15Å; R358-A361 PolarHBondContact O-N 2.69Å; R358-A361 VanDerWaalsContact O-N 3.15Å; A361-G364 PolarHBondContact O-N 2.83Å
362	D	97.6	Very high	98	Very high	120 Å²	120	37 Å²	37	64%	0.642	19%	0.186	S	C	*	.	H	α-helix	trans	-65.8	-39	179.5	-64.7	-20.1	0	0	0	111.9	R358	R358-D362 VanDerWaalsContact O-CG 3.25Å; R358-D362 PolarHBondContact O-N 3.25Å
363	N	98.1	Very high	98.2	Very high	103 Å²	103	37 Å²	37	55%	0.551	19%	0.186	S	C	*	.	H	α-helix	trans	-79.7	-18.3	178.3	-70.7	-9.8	0	0	0	113.5	Q359 C365	Q359-N363 VanDerWaalsContact O-CB 3.25Å; Q359-N363 WeakPolarHBondContact O-CB 3.37Å; Q359-N363 PolarHBondContact O-N 2.97Å; Q359-N363 PolarHBondContact O-ND2 2.82Å; N363-C365 VanDerWaalsContact C-N 3.25Å; N363-C365 PolarHBondContact O-N 3.19Å
364	G	98.3	Very high	98.2	Very high	17 Å²	17	37 Å²	37	18%	0.175	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	15.6	-174.5	0	0	0	0	0	114.7	G296 G297 I298 V360 A361	G296-G364 CarbonylContact C-O 3.53Å; G296-G364 WeakPolarHBondContact CA-O 3.36Å; G296-G364 PolarHBondContact N-O 2.99Å; G297-G364 PolarHBondContact N-O 3.29Å; I298-G364 WeakPolarHBondContact CB-O 3.25Å; I298-G364 PolarHBondContact N-O 3.36Å; V360-G364 PolarHBondContact O-N 3.47Å; A361-G364 PolarHBondContact O-N 2.83Å
365	C	98.6	Very high	98.3	Very high	28 Å²	28	37 Å²	37	19%	0.189	19%	0.186	C	C	.	.			trans	-162	162.8	174.7	68.9	0	0	0	0	112	M292 R293 E294 V360 N363	M292-C365 WeakPolarHBondContact O-CB 3.41Å; R293-C365 PolarHBondContact O-SG 2.85Å; E294-C365 WeakPolarHBondContact O-CB 3.29Å; V360-C365 PolarHBondContact O-N 3.32Å; N363-C365 VanDerWaalsContact C-N 3.25Å; N363-C365 PolarHBondContact O-N 3.19Å
366	G	98.6	Very high	98.3	Very high	16 Å²	16	35.4 Å²	35.4	17%	0.165	18%	0.181	C	C	.	.	S	Bend	trans	144.8	-112.3	175.5	0	0	0	0	0	113.6	S288 M292	S288-G366 VanDerWaalsContact CB-O 3.22Å; S288-G366 WeakPolarHBondContact CB-O 3.38Å; M292-G366 CarbonylContact C-O 3.55Å; M292-G366 PolarHBondContact O-N 3.2Å
367	Y	98.8	Very high	98.2	Very high	91 Å²	91	34.8 Å²	34.8	36%	0.357	18%	0.178	S	C	.	.			trans	-146.8	161	-171.8	64.8	-87.1	0	0	0	112.1	N286 F287 P357 V360	N286-Y367 HydrophobicContact CB-CD2 3.84Å; N286-Y367 HydrophobicContact CB-CE2 4.03Å; N286-Y367 WeakPolarHBondContact OD1-CE2 3.39Å; F287-Y367 WeakPolarHBondContact O-CA 3.34Å; F287-Y367 WeakPolarHBondContact O-CB 3.47Å; P357-Y367 WeakPolarHBondContact CD-O 3.3Å; P357-Y367 HydrophobicContact CG-CD2 4.11Å; P357-Y367 HydrophobicContact CG-CE1 4.37Å; P357-Y367 HydrophobicContact CG-CE2 3.45Å; P357-Y367 VanDerWaalsContact CG-CE2 3.45Å; V360-Y367 HydrophobicContact CG2-CD1 3.91Å; V360-Y367 HydrophobicContact CG2-CE1 3.96Å; V360-Y367 HydrophobicContact CG2-CG 4.43Å
368	L	98.6	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	159.9	165.5	63.8	84.8	0	0	0	110.6	N286 F287 I301 A304 V305 L308 V354	N286-L368 CarbonylContact C-O 3.59Å; N286-L368 VanDerWaalsContact CA-O 3.28Å; N286-L368 WeakPolarHBondContact CA-O 3.44Å; F287-L368 HydrophobicContact CB-CD1 4.1Å; F287-L368 HydrophobicContact CB-CG 4.46Å; F287-L368 HydrophobicContact CD1-CD1 4.46Å; F287-L368 HydrophobicContact CD1-CD2 4.46Å; F287-L368 HydrophobicContact CD1-CG 4.43Å; F287-L368 PolarHBondContact N-O 3.36Å; F287-L368 PolarHBondContact O-N 2.8Å; I301-L368 HydrophobicContact CG2-CB 4.03Å; A304-L368 HydrophobicContact CB-CD2 3.83Å; V305-L368 HydrophobicContact CG2-CD2 4.28Å; L308-L368 HydrophobicContact CD1-CD1 4.34Å; L308-L368 HydrophobicContact CD1-CD2 4.21Å; V354-L368 HydrophobicContact CG1-CB 4.06Å; V354-L368 HydrophobicContact CG1-CD1 4.09Å; V354-L368 HydrophobicContact CG1-CG 4.5Å
369	E	98.8	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.5	175.1	-178.8	-165.9	167.4	0	0	110	H284 N286 V354 R355 R371	H284-E369 HydrophobicContact CB-CG 4.13Å; H284-E369 IonicContact CG-OE1 3.48Å; H284-E369 IonicContact ND1-OE1 3.88Å; N286-E369 WeakPolarHBondContact OD1-CB 3.44Å; N286-E369 WeakPolarHBondContact OD1-CG 3.38Å; V354-E369 CarbonylContact C-O 3.58Å; V354-E369 WeakPolarHBondContact CA-O 3.46Å; R355-E369 HydrophobicContact CB-CB 4.34Å; R355-E369 IonicContact CZ-OE2 3.88Å; R355-E369 PolarHBondContact N-O 3.46Å; R355-E369 IonicContact NE-OE2 3.76Å; R355-E369 PolarHBondContact NE-OE2 3.47Å; R355-E369 IonicContact NH2-OE2 3.51Å; R355-E369 PolarHBondContact NH2-OE2 2.85Å; R355-E369 PolarHBondContact O-N 2.97Å; E369-R371 HydrophobicContact CG-CG 3.96Å; E369-R371 WeakPolarHBondContact OE1-CG 3.37Å; E369-R371 IonicContact OE1-CZ 3.22Å; E369-R371 IonicContact OE1-NH1 3.71Å; E369-R371 PolarHBondContact OE1-NH1 3.19Å; E369-R371 IonicContact OE2-NH1 2.74Å
370	D	98.7	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.8	171.9	-166.2	-18.7	0	0	0	110.2	H284 C285 Y319 R372 P373	H284-D370 WeakPolarHBondContact CA-O 3.39Å; C285-D370 PolarHBondContact N-O 3.05Å; C285-D370 PolarHBondContact O-N 3.3Å; Y319-D370 VanDerWaalsContact CE2-OD2 3.26Å; Y319-D370 WeakPolarHBondContact CE2-OD2 3.37Å; Y319-D370 PolarHBondContact OH-OD2 3.08Å; D370-R372 VanDerWaalsContact OD1-CB 3.29Å; D370-R372 WeakPolarHBondContact OD1-CB 3.38Å; D370-R372 WeakPolarHBondContact OD1-CG 3.31Å; D370-R372 IonicContact OD1-CZ 3.66Å; D370-R372 PolarHBondContact OD1-N 3.31Å; D370-R372 VanDerWaalsContact OD1-N 3.12Å; D370-R372 IonicContact OD1-NE 2.73Å; D370-R372 PolarHBondContact OD1-NE 3.27Å; D370-R372 IonicContact OD1-NH2 3.85Å; D370-R372 IonicContact OD2-CZ 3.26Å; D370-R372 IonicContact OD2-NE 2.86Å; D370-R372 PolarHBondContact OD2-NE 3.22Å; D370-R372 IonicContact OD2-NH2 2.76Å; D370-R372 PolarHBondContact OD2-NH2 2.98Å; D370-P373 VanDerWaalsContact O-CD 3.28Å; D370-P373 WeakPolarHBondContact O-CD 3.41Å
371	R	98.3	Very high	98.3	Very high	15 Å²	15	23.7 Å²	23.7	6%	0.057	13%	0.129	C	C	.	.			trans	-93	0.3	-174.3	-60.4	179.9	62.4	73.7	7.8	113.2	H284 R330 R350 S353 E369	H284-R371 PolarHBondContact CE1-NH1 2.95Å; H284-R371 PolarHBondContact CE1-NH2 3.32Å; H284-R371 PolarHBondContact ND1-NH1 3.22Å; R330-R371 PolarHBondContact NH1-O 3.17Å; R350-R371 PolarHBondContact O-NE 3.44Å; S353-R371 PolarHBondContact O-N 3.14Å; E369-R371 HydrophobicContact CG-CG 3.96Å; E369-R371 WeakPolarHBondContact OE1-CG 3.37Å; E369-R371 IonicContact OE1-CZ 3.22Å; E369-R371 IonicContact OE1-NH1 3.71Å; E369-R371 PolarHBondContact OE1-NH1 3.19Å; E369-R371 IonicContact OE2-NH1 2.74Å
372	R	98.4	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.			trans	-80	-26.3	-176.7	-59	173.8	-74.2	177.5	-4.7	115.5	H312 I316 Y319 N327 R330 L331 D370 A374	H312-R372 PolarHBondContact ND1-NH1 3.13Å; I316-R372 HydrophobicContact CD1-CB 4.13Å; I316-R372 HydrophobicContact CD1-CG 4.4Å; Y319-R372 HydrophobicContact CD2-CB 3.51Å; Y319-R372 HydrophobicContact CE2-CB 3.71Å; N327-R372 PolarHBondContact ND2-O 3.5Å; R330-R372 PolarHBondContact NH2-O 2.84Å; L331-R372 HydrophobicContact CD1-CB 4.49Å; D370-R372 VanDerWaalsContact OD1-CB 3.29Å; D370-R372 WeakPolarHBondContact OD1-CB 3.38Å; D370-R372 WeakPolarHBondContact OD1-CG 3.31Å; D370-R372 IonicContact OD1-CZ 3.66Å; D370-R372 PolarHBondContact OD1-N 3.31Å; D370-R372 VanDerWaalsContact OD1-N 3.12Å; D370-R372 IonicContact OD1-NE 2.73Å; D370-R372 PolarHBondContact OD1-NE 3.27Å; D370-R372 IonicContact OD1-NH2 3.85Å; D370-R372 IonicContact OD2-CZ 3.26Å; D370-R372 IonicContact OD2-NE 2.86Å; D370-R372 PolarHBondContact OD2-NE 3.22Å; D370-R372 IonicContact OD2-NH2 2.76Å; D370-R372 PolarHBondContact OD2-NH2 2.98Å; R372-A374 PolarHBondContact O-N 3.31Å
373	P	98.6	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.			trans	-61.8	134.9	178.2	-22.2	32.9	0	0	0	112.5	A283 C285 Y319 R330 D370 V382	A283-P373 HydrophobicContact CB-CB 4.25Å; A283-P373 PolarHBondContact N-O 2.88Å; A283-P373 WeakPolarHBondContact O-CB 3.35Å; C285-P373 HydrophobicContact CB-CG 4.29Å; Y319-P373 HydrophobicContact CD1-CG 4.42Å; Y319-P373 HydrophobicContact CD2-CB 4.48Å; Y319-P373 HydrophobicContact CD2-CG 3.94Å; Y319-P373 HydrophobicContact CE1-CG 4.41Å; Y319-P373 HydrophobicContact CE2-CG 3.89Å; Y319-P373 HydrophobicContact CG-CB 4.38Å; Y319-P373 HydrophobicContact CG-CG 4.18Å; R330-P373 PolarHBondContact NH2-O 3.02Å; R330-P373 VanDerWaalsContact NH2-O 3.14Å; D370-P373 VanDerWaalsContact O-CD 3.28Å; D370-P373 WeakPolarHBondContact O-CD 3.41Å; P373-V382 HydrophobicContact CB-CG1 4.28Å; P373-V382 HydrophobicContact CB-CG2 4.08Å; P373-V382 HydrophobicContact CG-CG1 3.75Å; P373-V382 HydrophobicContact CG-CG2 4.36Å
374	A	98.4	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-73.1	155.4	171.5	0	0	0	0	0	110.9	P271 A283 Y319 D320 R372 N376 S377	P271-A374 HydrophobicContact CB-CB 3.84Å; P271-A374 HydrophobicContact CG-CB 4.06Å; A283-A374 VanDerWaalsContact CB-O 3.23Å; A283-A374 WeakPolarHBondContact CB-O 3.46Å; Y319-A374 VanDerWaalsContact O-CB 3.27Å; Y319-A374 WeakPolarHBondContact O-CB 3.4Å; Y319-A374 PolarHBondContact O-N 2.83Å; D320-A374 HydrophobicContact CB-CB 3.75Å; R372-A374 PolarHBondContact O-N 3.31Å; A374-N376 VanDerWaalsContact CB-OD1 3.31Å; A374-N376 WeakPolarHBondContact CB-OD1 3.22Å; A374-N376 PolarHBondContact O-N 3.4Å; A374-S377 WeakPolarHBondContact O-CB 3.43Å; A374-S377 PolarHBondContact O-N 2.98Å; A374-S377 PolarHBondContact O-OG 3.12Å
375	S	98.6	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.9	174.4	46.2	0	0	0	0	114.4	Q166 E167 R253 F269 P271 A281 G282	Q166-S375 PolarHBondContact NE2-O 3.26Å; E167-S375 VanDerWaalsContact O-CB 3.3Å; E167-S375 WeakPolarHBondContact O-CB 3.42Å; R253-S375 PolarHBondContact NH2-O 3.42Å; F269-S375 CarbonylContact O-C 3.55Å; F269-S375 WeakPolarHBondContact O-CB 3.38Å; F269-S375 PolarHBondContact O-OG 2.62Å; P271-S375 WeakPolarHBondContact CA-OG 3.37Å; A281-S375 VanDerWaalsContact CB-OG 3.25Å; A281-S375 WeakPolarHBondContact CB-OG 3.15Å; A281-S375 WeakPolarHBondContact O-CB 2.92Å; A281-S375 PolarHBondContact O-N 3.05Å; A281-S375 VanDerWaalsContact O-N 3.16Å; A281-S375 PolarHBondContact O-OG 2.99Å; G282-S375 WeakPolarHBondContact O-CA 3.28Å; G282-S375 WeakPolarHBondContact O-CB 3.44Å
376	N	98.2	Very high	98.5	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.043	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	6.7	175.7	70.8	-26.2	0	0	0	114	E51 F269 D326 A374	E51-N376 PolarHBondContact OE2-ND2 3.05Å; F269-N376 HydrophobicContact CB-CB 4.08Å; F269-N376 VanDerWaalsContact O-CB 3.3Å; F269-N376 WeakPolarHBondContact O-CB 3.28Å; F269-N376 PolarHBondContact O-N 2.86Å; D326-N376 PolarHBondContact OD2-ND2 3.22Å; A374-N376 VanDerWaalsContact CB-OD1 3.31Å; A374-N376 WeakPolarHBondContact CB-OD1 3.22Å; A374-N376 PolarHBondContact O-N 3.4Å
377	S	97.6	Very high	98.5	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.014	5%	0.048	C	C	.	.			trans	-59.9	145.6	177.5	59.8	0	0	0	0	111.6	R253 Y319 A374 P379	R253-S377 VanDerWaalsContact CZ-O 3.29Å; R253-S377 PolarHBondContact NH1-O 2.99Å; R253-S377 PolarHBondContact NH2-O 2.83Å; Y319-S377 WeakPolarHBondContact O-CB 3.45Å; A374-S377 WeakPolarHBondContact O-CB 3.43Å; A374-S377 PolarHBondContact O-N 2.98Å; A374-S377 PolarHBondContact O-OG 3.12Å; S377-P379 WeakPolarHBondContact O-CD 3.27Å
378	D	97.9	Very high	98.4	Very high	11 Å²	11	9.3 Å²	9.3	6%	0.059	4%	0.042	C	C	.	.			trans	-77.9	114.8	169.1	176.8	3.9	0	0	0	109	T144 W250 Y380 R381 V382	T144-D378 WeakPolarHBondContact CB-OD2 3.31Å; T144-D378 WeakPolarHBondContact CG2-OD2 3.5Å; T144-D378 PolarHBondContact OG1-OD2 3.2Å; W250-D378 HydrophobicContact CZ2-CB 4.24Å; W250-D378 PolarHBondContact NE1-OD1 3.32Å; D378-Y380 PolarHBondContact O-N 3.37Å; D378-Y380 VanDerWaalsContact OD1-CD2 3.29Å; D378-Y380 WeakPolarHBondContact OD1-CD2 3.39Å; D378-Y380 PolarHBondContact OD1-N 3.46Å; D378-R381 HydrophobicContact CB-CB 4.33Å; D378-R381 HydrophobicContact CB-CG 4.21Å; D378-R381 PolarHBondContact O-N 3.32Å; D378-V382 PolarHBondContact O-N 3.23Å; D378-V382 VanDerWaalsContact O-N 3.11Å
379	P	98.6	Very high	98.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-58.7	-30.7	-178.8	23.9	-35.4	0	0	0	113.1	I164 A246 L249 W250 S377 R381 V382 T383	I164-P379 HydrophobicContact CD1-CB 4.02Å; A246-P379 HydrophobicContact CB-CB 3.74Å; A246-P379 HydrophobicContact CB-CG 3.94Å; L249-P379 HydrophobicContact CB-CB 4.38Å; L249-P379 HydrophobicContact CB-CG 4.18Å; L249-P379 HydrophobicContact CD2-CB 3.8Å; L249-P379 HydrophobicContact CD2-CG 3.94Å; L249-P379 HydrophobicContact CG-CG 4.3Å; W250-P379 HydrophobicContact CG-CG 4.26Å; S377-P379 WeakPolarHBondContact O-CD 3.27Å; P379-R381 VanDerWaalsContact C-N 3.3Å; P379-R381 PolarHBondContact O-N 2.94Å; P379-V382 PolarHBondContact O-N 3.32Å; P379-T383 WeakPolarHBondContact O-CB 3.23Å; P379-T383 WeakPolarHBondContact O-CG2 3.27Å; P379-T383 PolarHBondContact O-N 2.97Å; P379-T383 PolarHBondContact O-OG1 2.98Å
380	Y	98.5	Very high	98.4	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-59.4	-45.2	175.9	-64.9	-59	0	0	0	110.9	I46 L111 R145 C148 I243 A246 D247 W250 D378 T383 E384	I46-Y380 HydrophobicContact CD1-CD2 4.45Å; I46-Y380 HydrophobicContact CD1-CE2 3.83Å; L111-Y380 WeakPolarHBondContact CD2-OH 3.46Å; R145-Y380 HydrophobicContact CB-CD1 3.99Å; R145-Y380 HydrophobicContact CB-CD2 3.98Å; R145-Y380 HydrophobicContact CB-CE1 3.83Å; R145-Y380 HydrophobicContact CB-CE2 3.78Å; R145-Y380 HydrophobicContact CB-CG 4.1Å; R145-Y380 WeakPolarHBondContact CD-OH 3.36Å; R145-Y380 HydrophobicContact CG-CD1 3.89Å; R145-Y380 HydrophobicContact CG-CE1 3.44Å; R145-Y380 VanDerWaalsContact CG-CE1 3.44Å; R145-Y380 HydrophobicContact CG-CE2 4.23Å; R145-Y380 HydrophobicContact CG-CG 4.5Å; C148-Y380 HydrophobicContact CB-CD1 4.25Å; C148-Y380 HydrophobicContact CB-CG 4.49Å; C148-Y380 PolarHBondContact SG-O 3.16Å; I243-Y380 HydrophobicContact CD1-CD1 3.78Å; I243-Y380 HydrophobicContact CD1-CE1 3.88Å; I243-Y380 HydrophobicContact CG1-CE1 4.43Å; A246-Y380 HydrophobicContact CB-CD1 3.17Å; A246-Y380 HydrophobicContact CB-CE1 3.27Å; A246-Y380 HydrophobicContact CB-CG 3.85Å; D247-Y380 WeakPolarHBondContact OD1-CE1 3.34Å; D247-Y380 PolarHBondContact OD1-OH 3.37Å; W250-Y380 AromaticContact CD1-CD2 3.76Å; W250-Y380 AromaticContact CD1-CE2 3.21Å; W250-Y380 AromaticContact CD1-CZ 3.71Å; W250-Y380 HydrophobicContact CG-CE2 4.32Å; W250-Y380 AromaticContact NE1-CD2 3.44Å; W250-Y380 AromaticContact NE1-CE2 3.34Å; W250-Y380 VanDerWaalsContact NE1-CE2 3.34Å; D378-Y380 PolarHBondContact O-N 3.37Å; D378-Y380 VanDerWaalsContact OD1-CD2 3.29Å; D378-Y380 WeakPolarHBondContact OD1-CD2 3.39Å; D378-Y380 PolarHBondContact OD1-N 3.46Å; Y380-T383 PolarHBondContact O-OG1 3.29Å; Y380-E384 WeakPolarHBondContact O-CB 3.43Å; Y380-E384 PolarHBondContact O-N 3.27Å
381	R	97.7	Very high	98.4	Very high	54 Å²	54	10.5 Å²	10.5	20%	0.204	5%	0.049	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.6	-70	-173.6	169	170.9	4.8	112.6	A141 T144 V318 D378 P379 A385	A141-R381 PolarHBondContact O-NH2 3.4Å; T144-R381 HydrophobicContact CG2-CG 4.01Å; V318-R381 HydrophobicContact CB-CB 4.28Å; D378-R381 HydrophobicContact CB-CB 4.33Å; D378-R381 HydrophobicContact CB-CG 4.21Å; D378-R381 PolarHBondContact O-N 3.32Å; P379-R381 VanDerWaalsContact C-N 3.3Å; P379-R381 PolarHBondContact O-N 2.94Å; R381-A385 VanDerWaalsContact O-CB 3.28Å; R381-A385 WeakPolarHBondContact O-CB 3.19Å; R381-A385 PolarHBondContact O-N 3.45Å
382	V	98.5	Very high	98.4	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-64.5	-50.3	179.5	175.2	0	0	0	0	110.4	C285 Y319 P373 D378 P379 A385 L386	C285-V382 HydrophobicContact CB-CG1 4.01Å; Y319-V382 HydrophobicContact CD1-CB 4.49Å; Y319-V382 HydrophobicContact CD1-CG1 4.48Å; Y319-V382 HydrophobicContact CD1-CG2 3.91Å; Y319-V382 HydrophobicContact CE1-CB 4.28Å; Y319-V382 HydrophobicContact CE1-CG1 3.98Å; Y319-V382 HydrophobicContact CE1-CG2 4.19Å; P373-V382 HydrophobicContact CB-CG1 4.28Å; P373-V382 HydrophobicContact CB-CG2 4.08Å; P373-V382 HydrophobicContact CG-CG1 3.75Å; P373-V382 HydrophobicContact CG-CG2 4.36Å; D378-V382 PolarHBondContact O-N 3.23Å; D378-V382 VanDerWaalsContact O-N 3.11Å; P379-V382 PolarHBondContact O-N 3.32Å; V382-A385 PolarHBondContact O-N 2.92Å; V382-L386 HydrophobicContact CG1-CD1 4.3Å; V382-L386 WeakPolarHBondContact O-CG 3.37Å; V382-L386 PolarHBondContact O-N 3.19Å; V382-L386 VanDerWaalsContact O-N 3.15Å
383	T	98.8	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.3	-38.1	-178.5	57.7	0	0	0	0	111.9	C148 M152 F162 I164 A245 P379 Y380 L386 V387	C148-T383 PolarHBondContact SG-OG1 3.28Å; M152-T383 VanDerWaalsContact CE-CB 3.47Å; M152-T383 WeakPolarHBondContact CE-O 3.49Å; F162-T383 HydrophobicContact CD1-CG2 3.73Å; F162-T383 HydrophobicContact CD2-CG2 4.17Å; F162-T383 HydrophobicContact CE1-CG2 3.81Å; F162-T383 HydrophobicContact CE2-CG2 4.26Å; F162-T383 HydrophobicContact CG-CG2 3.9Å; F162-T383 HydrophobicContact CZ-CG2 4.08Å; I164-T383 HydrophobicContact CD1-CG2 4.3Å; A245-T383 HydrophobicContact CB-CG2 4.45Å; P379-T383 WeakPolarHBondContact O-CB 3.23Å; P379-T383 WeakPolarHBondContact O-CG2 3.27Å; P379-T383 PolarHBondContact O-N 2.97Å; P379-T383 PolarHBondContact O-OG1 2.98Å; Y380-T383 PolarHBondContact O-OG1 3.29Å; T383-L386 PolarHBondContact O-N 3.38Å; T383-V387 PolarHBondContact O-N 3.22Å; T383-V387 VanDerWaalsContact O-N 3.1Å
384	E	98.6	Very high	98.1	Very high	24 Å²	24	21.3 Å²	21.3	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-49.7	173.8	179.8	174.9	-179.8	0	0	111.2	S147 C148 A151 Y380 L386 V387 R388	S147-E384 WeakPolarHBondContact CB-OE1 3.1Å; S147-E384 PolarHBondContact OG-OE1 3.18Å; S147-E384 PolarHBondContact OG-OE2 3.12Å; C148-E384 HydrophobicContact CB-CB 4Å; C148-E384 PolarHBondContact N-OE2 3.41Å; A151-E384 HydrophobicContact CB-CG 3.96Å; Y380-E384 WeakPolarHBondContact O-CB 3.43Å; Y380-E384 PolarHBondContact O-N 3.27Å; E384-L386 PolarHBondContact O-N 3.09Å; E384-V387 PolarHBondContact O-N 3.45Å; E384-R388 HydrophobicContact CG-CG 4.19Å; E384-R388 WeakPolarHBondContact O-CB 3.45Å; E384-R388 WeakPolarHBondContact O-CG 3.27Å; E384-R388 PolarHBondContact O-N 3.22Å; E384-R388 IonicContact OE1-CZ 3.73Å; E384-R388 VanDerWaalsContact OE1-CZ 3.26Å; E384-R388 IonicContact OE1-NE 3.47Å; E384-R388 PolarHBondContact OE1-NE 2.67Å; E384-R388 IonicContact OE1-NH2 2.65Å; E384-R388 PolarHBondContact OE1-NH2 3.35Å
385	A	98.5	Very high	98.1	Very high	16 Å²	16	22.4 Å²	22.4	13%	0.132	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-43	-179	0	0	0	0	0	112.4	V318 Y319 R381 V382 V387 T389	V318-A385 HydrophobicContact CG2-CB 3.86Å; Y319-A385 HydrophobicContact CE1-CB 4.48Å; R381-A385 VanDerWaalsContact O-CB 3.28Å; R381-A385 WeakPolarHBondContact O-CB 3.19Å; R381-A385 PolarHBondContact O-N 3.45Å; V382-A385 PolarHBondContact O-N 2.92Å; A385-V387 PolarHBondContact O-N 3.09Å; A385-T389 WeakPolarHBondContact O-CB 3.26Å; A385-T389 PolarHBondContact O-N 3.34Å; A385-T389 PolarHBondContact O-OG1 2.78Å
386	L	98.8	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-46.7	175.5	-74.9	169.1	0	0	0	111.7	F162 C285 F287 L308 V382 T383 E384 V390	F162-L386 HydrophobicContact CD1-CD1 4.44Å; F162-L386 HydrophobicContact CE1-CB 4.29Å; F162-L386 HydrophobicContact CE1-CD1 4.06Å; C285-L386 HydrophobicContact CB-CD1 4.18Å; C285-L386 VanDerWaalsContact SG-CD1 3.55Å; F287-L386 HydrophobicContact CB-CD1 4.29Å; L308-L386 HydrophobicContact CD1-CD2 4.32Å; L308-L386 HydrophobicContact CD2-CD2 3.88Å; V382-L386 HydrophobicContact CG1-CD1 4.3Å; V382-L386 WeakPolarHBondContact O-CG 3.37Å; V382-L386 PolarHBondContact O-N 3.19Å; V382-L386 VanDerWaalsContact O-N 3.15Å; T383-L386 PolarHBondContact O-N 3.38Å; E384-L386 PolarHBondContact O-N 3.09Å; L386-V390 VanDerWaalsContact O-CB 3.27Å; L386-V390 WeakPolarHBondContact O-CB 3.42Å; L386-V390 WeakPolarHBondContact O-CG2 3.08Å; L386-V390 PolarHBondContact O-N 2.97Å
387	V	98.7	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-44.7	-179.3	159.3	0	0	0	0	112	A151 M152 A155 P160 F162 F287 T383 E384 A385 T389 C391 L392	A151-V387 HydrophobicContact CB-CG1 4.47Å; M152-V387 HydrophobicContact CE-CB 4.38Å; M152-V387 HydrophobicContact CE-CG2 3.94Å; M152-V387 HydrophobicContact SD-CB 4.4Å; M152-V387 HydrophobicContact SD-CG1 4.49Å; M152-V387 HydrophobicContact SD-CG2 3.8Å; A155-V387 HydrophobicContact CB-CG1 3.24Å; P160-V387 HydrophobicContact CB-CG2 3.95Å; P160-V387 HydrophobicContact CG-CG2 4.25Å; F162-V387 HydrophobicContact CE2-CG2 4.46Å; F162-V387 HydrophobicContact CZ-CG2 3.7Å; F287-V387 HydrophobicContact CE2-CG2 4.2Å; F287-V387 HydrophobicContact CZ-CG2 4.47Å; T383-V387 PolarHBondContact O-N 3.22Å; T383-V387 VanDerWaalsContact O-N 3.1Å; E384-V387 PolarHBondContact O-N 3.45Å; A385-V387 PolarHBondContact O-N 3.09Å; V387-T389 PolarHBondContact O-N 3.5Å; V387-C391 HydrophobicContact CG1-CB 4.32Å; V387-C391 WeakPolarHBondContact O-CA 3.49Å; V387-C391 WeakPolarHBondContact O-CB 3.3Å; V387-C391 PolarHBondContact O-N 2.76Å; V387-L392 HydrophobicContact CG1-CD1 4.44Å; V387-L392 PolarHBondContact O-N 3.42Å
388	R	98.6	Very high	98.1	Very high	58 Å²	58	25.7 Å²	25.7	22%	0.219	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-49.9	177.1	-75.5	-169.5	-176.1	-69.5	-4.3	111.3	S147 A151 E384 L392 D393 E394	S147-R388 PolarHBondContact O-NH2 3.44Å; A151-R388 HydrophobicContact CB-CG 4.19Å; E384-R388 HydrophobicContact CG-CG 4.19Å; E384-R388 WeakPolarHBondContact O-CB 3.45Å; E384-R388 WeakPolarHBondContact O-CG 3.27Å; E384-R388 PolarHBondContact O-N 3.22Å; E384-R388 IonicContact OE1-CZ 3.73Å; E384-R388 VanDerWaalsContact OE1-CZ 3.26Å; E384-R388 IonicContact OE1-NE 3.47Å; E384-R388 PolarHBondContact OE1-NE 2.67Å; E384-R388 IonicContact OE1-NH2 2.65Å; E384-R388 PolarHBondContact OE1-NH2 3.35Å; R388-L392 HydrophobicContact CG-CD1 4.36Å; R388-L392 CarbonylContact O-C 3.51Å; R388-L392 WeakPolarHBondContact O-CA 3.35Å; R388-L392 WeakPolarHBondContact O-CB 3.22Å; R388-L392 PolarHBondContact O-N 3.28Å; R388-D393 PolarHBondContact O-N 3.31Å; R388-E394 HydrophobicContact CB-CB 4.12Å; R388-E394 VanDerWaalsContact CD-OE2 3.29Å; R388-E394 WeakPolarHBondContact CD-OE2 2.96Å; R388-E394 WeakPolarHBondContact CG-OE2 3.3Å; R388-E394 IonicContact CZ-OE2 2.95Å; R388-E394 IonicContact NE-OE2 3.02Å; R388-E394 IonicContact NH1-OE1 3.8Å; R388-E394 IonicContact NH1-OE2 3.99Å; R388-E394 PolarHBondContact NH1-OE2 3.43Å; R388-E394 PolarHBondContact O-N 3.23Å
389	T	98.7	Very high	98.1	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-72.1	-42.4	-178.8	-68.5	0	0	0	0	113.3	K307 L308 R311 H315 A385 V387 E394	K307-T389 HydrophobicContact CB-CG2 4.06Å; K307-T389 WeakPolarHBondContact CD-O 3.31Å; L308-T389 HydrophobicContact CD2-CG2 4.08Å; R311-T389 HydrophobicContact CB-CG2 4.16Å; R311-T389 HydrophobicContact CG-CG2 3.94Å; H315-T389 PolarHBondContact NE2-OG1 2.84Å; A385-T389 WeakPolarHBondContact O-CB 3.26Å; A385-T389 PolarHBondContact O-N 3.34Å; A385-T389 PolarHBondContact O-OG1 2.78Å; V387-T389 PolarHBondContact O-N 3.5Å; T389-E394 PolarHBondContact OG1-O 3.36Å
390	V	98.6	Very high	98	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.067	14%	0.138	C	C	.	.	H	α-helix	trans	-85.7	-43.5	-173.5	179.2	0	0	0	0	112.8	F287 M292 A304 K307 L308 L386	F287-V390 HydrophobicContact CE1-CB 3.84Å; F287-V390 HydrophobicContact CE1-CG1 3.8Å; F287-V390 HydrophobicContact CE1-CG2 4Å; F287-V390 HydrophobicContact CZ-CB 4.35Å; F287-V390 HydrophobicContact CZ-CG1 4.42Å; M292-V390 HydrophobicContact CE-CG1 3.83Å; A304-V390 HydrophobicContact CB-CB 4.36Å; A304-V390 HydrophobicContact CB-CG1 3.46Å; A304-V390 VanDerWaalsContact CB-CG1 3.46Å; A304-V390 HydrophobicContact CB-CG2 3.93Å; K307-V390 PolarHBondContact NZ-O 2.88Å; L308-V390 HydrophobicContact CD1-CG2 4.47Å; L308-V390 HydrophobicContact CD2-CG2 4.12Å; L308-V390 HydrophobicContact CG-CG2 4.12Å; L386-V390 VanDerWaalsContact O-CB 3.27Å; L386-V390 WeakPolarHBondContact O-CB 3.42Å; L386-V390 WeakPolarHBondContact O-CG2 3.08Å; L386-V390 PolarHBondContact O-N 2.97Å
391	C	98.5	Very high	98	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-95.8	-32.9	-171.9	-61.2	0	0	0	0	113.4	A155 F158 V387	A155-C391 HydrophobicContact CB-CB 3.97Å; F158-C391 HydrophobicContact CD2-CB 3.55Å; F158-C391 HydrophobicContact CE2-CB 3.66Å; F158-C391 WeakPolarHBondContact CE2-O 3.47Å; F158-C391 HydrophobicContact CG-CB 4.05Å; F158-C391 HydrophobicContact CZ-CB 4.29Å; F158-C391 WeakPolarHBondContact CZ-O 3.32Å; V387-C391 HydrophobicContact CG1-CB 4.32Å; V387-C391 WeakPolarHBondContact O-CA 3.49Å; V387-C391 WeakPolarHBondContact O-CB 3.3Å; V387-C391 PolarHBondContact O-N 2.76Å
392	L	98.2	Very high	98	Very high	31 Å²	31	28.3 Å²	28.3	16%	0.162	14%	0.143	C	C	.	.	S	Bend	trans	-106.5	-7.1	-174.4	-53.1	179.7	0	0	0	113.8	D154 A155 V387 R388 E394	D154-L392 HydrophobicContact CB-CD1 4.07Å; D154-L392 HydrophobicContact CB-CD2 4.17Å; A155-L392 HydrophobicContact CB-CD2 4.09Å; A155-L392 HydrophobicContact CB-CG 4.42Å; V387-L392 HydrophobicContact CG1-CD1 4.44Å; V387-L392 PolarHBondContact O-N 3.42Å; R388-L392 HydrophobicContact CG-CD1 4.36Å; R388-L392 CarbonylContact O-C 3.51Å; R388-L392 WeakPolarHBondContact O-CA 3.35Å; R388-L392 WeakPolarHBondContact O-CB 3.22Å; R388-L392 PolarHBondContact O-N 3.28Å; L392-E394 VanDerWaalsContact C-N 3.29Å; L392-E394 HydrophobicContact CB-CG 3.98Å; L392-E394 PolarHBondContact O-N 2.97Å
393	D	96.4	Very high	98	Very high	108 Å²	108	30.4 Å²	30.4	58%	0.578	15%	0.153	S	C	*	.			trans	61.1	32	-179.2	-66.4	-62.3	0	0	0	114.3	K307 R388	K307-D393 WeakPolarHBondContact CD-OD1 3.44Å; K307-D393 WeakPolarHBondContact CE-OD1 3.49Å; K307-D393 IonicContact NZ-OD1 2.78Å; K307-D393 PolarHBondContact NZ-OD1 2.82Å; K307-D393 IonicContact NZ-OD2 2.69Å; K307-D393 PolarHBondContact NZ-OD2 3.3Å; R388-D393 PolarHBondContact O-N 3.31Å
394	E	93.3	Very high	97.9	Very high	102 Å²	102	33.2 Å²	33.2	48%	0.477	17%	0.167	S	C	.	.			trans	-94	0	-176.2	-68.4	178.4	-177.3	0	0	115.9	R311 R388 T389 L392	R311-E394 PolarHBondContact NH1-OXT 2.94Å; R311-E394 PolarHBondContact NH2-O 3.34Å; R311-E394 PolarHBondContact NH2-OXT 3.19Å; R388-E394 HydrophobicContact CB-CB 4.12Å; R388-E394 VanDerWaalsContact CD-OE2 3.29Å; R388-E394 WeakPolarHBondContact CD-OE2 2.96Å; R388-E394 WeakPolarHBondContact CG-OE2 3.3Å; R388-E394 IonicContact CZ-OE2 2.95Å; R388-E394 IonicContact NE-OE2 3.02Å; R388-E394 IonicContact NH1-OE1 3.8Å; R388-E394 IonicContact NH1-OE2 3.99Å; R388-E394 PolarHBondContact NH1-OE2 3.43Å; R388-E394 PolarHBondContact O-N 3.23Å; T389-E394 PolarHBondContact OG1-O 3.36Å; L392-E394 VanDerWaalsContact C-N 3.29Å; L392-E394 HydrophobicContact CB-CG 3.98Å; L392-E394 PolarHBondContact O-N 2.97Å

Retrieved 394 of 394 residues in 447.6 ms (Link to these results)

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