A0A077Z488_TRITR Loading...

Protein unc-1

AlphaFold DB , UniProt , Accession A0A077Z488, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 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	48.4	Very low	61.1	Low	197 Å²	197	102.5 Å²	102.5	97%	0.97	59%	0.593	S	S	*	*				0	101.9	0	-77.7	-177.3	124.7	0	0	107.2	E5	M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 WeakPolarHBondContact CB-OE2 3.43Å; M1-E5 WeakPolarHBondContact CE-OE1 3.42Å; M1-E5 WeakPolarHBondContact CE-OE2 3.47Å; M1-E5 WeakPolarHBondContact CG-OE2 3.45Å
2	T	53	Low	61.4	Low	114 Å²	114	101.2 Å²	101.2	70%	0.699	59%	0.588	S	S	*	*			trans	-72.1	150.1	-173.1	42.9	0	0	0	0	109.4	S4 E5	T2-S4 PolarHBondContact O-N 3.4Å; T2-E5 PolarHBondContact O-N 3.27Å
3	L	56.7	Low	61.4	Low	149 Å²	149	105 Å²	105	78%	0.78	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.7	-19.2	-172.7	-73.1	161.3	0	0	0	116.3	E5 M6 S7	L3-E5 PolarHBondContact O-N 3.4Å; L3-M6 PolarHBondContact O-N 3.36Å; L3-S7 PolarHBondContact O-N 3.41Å
4	S	66.8	Low	61.1	Low	93 Å²	93	107.1 Å²	107.1	65%	0.65	60%	0.596	S	S	*	*	H	α-helix	trans	-59.1	-39.8	173.1	-162.2	0	0	0	0	113.8	T2 S7 S8	T2-S4 PolarHBondContact O-N 3.4Å; S4-S7 PolarHBondContact O-N 3.37Å; S4-S8 PolarHBondContact O-N 3.34Å; S4-S8 VanDerWaalsContact O-N 3.13Å
5	E	65.7	Low	61	Low	88 Å²	88	103.2 Å²	103.2	41%	0.411	58%	0.583	S	S	.	*	H	α-helix	trans	-73.7	-29.7	-179.2	-77.7	169.9	136.2	0	0	113.1	M1 T2 L3 S8 S9	M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 WeakPolarHBondContact CB-OE2 3.43Å; M1-E5 WeakPolarHBondContact CE-OE1 3.42Å; M1-E5 WeakPolarHBondContact CE-OE2 3.47Å; M1-E5 WeakPolarHBondContact CG-OE2 3.45Å; T2-E5 PolarHBondContact O-N 3.27Å; L3-E5 PolarHBondContact O-N 3.4Å; E5-S8 PolarHBondContact O-OG 3.28Å; E5-S9 WeakPolarHBondContact O-CB 3.4Å; E5-S9 PolarHBondContact O-N 3.43Å; E5-S9 PolarHBondContact O-OG 3.44Å
6	M	61.4	Low	60.6	Low	143 Å²	143	107.8 Å²	107.8	70%	0.704	60%	0.595	S	S	*	*	H	α-helix	trans	-72	-33.8	174	-75.8	174.6	74.9	0	0	111.4	L3 S9 G10	L3-M6 PolarHBondContact O-N 3.36Å; M6-S9 PolarHBondContact O-OG 3.3Å; M6-G10 PolarHBondContact O-N 3.43Å; M6-G10 VanDerWaalsContact O-N 3.15Å
7	S	66.8	Low	60.1	Low	73 Å²	73	110.2 Å²	110.2	51%	0.51	60%	0.6	S	S	.	*	H	α-helix	trans	-72.3	-39.2	176.8	-166.4	0	0	0	0	112.6	L3 S4 L11	L3-S7 PolarHBondContact O-N 3.41Å; S4-S7 PolarHBondContact O-N 3.37Å; S7-L11 WeakPolarHBondContact O-CG 3.37Å; S7-L11 PolarHBondContact O-N 3.21Å; S7-L11 VanDerWaalsContact O-N 3.1Å
8	S	65	Low	59.6	Low	66 Å²	66	113.5 Å²	113.5	46%	0.462	61%	0.611	S	S	.	*	H	α-helix	trans	-72.1	-36.3	179.7	71.1	0	0	0	0	112.7	S4 E5 T12	S4-S8 PolarHBondContact O-N 3.34Å; S4-S8 VanDerWaalsContact O-N 3.13Å; E5-S8 PolarHBondContact O-OG 3.28Å; S8-T12 WeakPolarHBondContact O-CG2 3.29Å; S8-T12 PolarHBondContact O-N 3.42Å; S8-T12 PolarHBondContact O-OG1 3.31Å
9	S	66.7	Low	58.8	Low	58 Å²	58	119.4 Å²	119.4	41%	0.406	62%	0.624	S	S	.	*	H	α-helix	trans	-70.6	-32.9	175.3	61	0	0	0	0	112.8	E5 M6 T12 K13	E5-S9 WeakPolarHBondContact O-CB 3.4Å; E5-S9 PolarHBondContact O-N 3.43Å; E5-S9 PolarHBondContact O-OG 3.44Å; M6-S9 PolarHBondContact O-OG 3.3Å; S9-T12 WeakPolarHBondContact CA-OG1 3.25Å; S9-T12 PolarHBondContact O-OG1 3.02Å; S9-K13 PolarHBondContact O-N 2.96Å
10	G	60.6	Low	58.2	Low	33 Å²	33	116.7 Å²	116.7	34%	0.34	62%	0.62	S	S	.	*	H	α-helix	trans	-64	-50.1	171.5	0	0	0	0	0	112.1	M6 T12 K13 E14	M6-G10 PolarHBondContact O-N 3.43Å; M6-G10 VanDerWaalsContact O-N 3.15Å; G10-T12 PolarHBondContact O-N 3.2Å; G10-K13 PolarHBondContact O-N 3Å; G10-E14 PolarHBondContact O-N 3.5Å
11	L	61.2	Low	57.4	Low	113 Å²	113	116 Å²	116	59%	0.592	63%	0.625	S	S	*	*	H	α-helix	trans	-63.9	-37.7	-179.3	-77.5	163.9	0	0	0	112.9	S7 A15	S7-L11 WeakPolarHBondContact O-CG 3.37Å; S7-L11 PolarHBondContact O-N 3.21Å; S7-L11 VanDerWaalsContact O-N 3.1Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.36Å
12	T	65.1	Low	57	Low	87 Å²	87	112.3 Å²	112.3	53%	0.534	62%	0.615	S	S	.	*	H	α-helix	trans	-71.6	-31	177.7	48.3	0	0	0	0	112.9	S8 S9 G10 K16	S8-T12 WeakPolarHBondContact O-CG2 3.29Å; S8-T12 PolarHBondContact O-N 3.42Å; S8-T12 PolarHBondContact O-OG1 3.31Å; S9-T12 WeakPolarHBondContact CA-OG1 3.25Å; S9-T12 PolarHBondContact O-OG1 3.02Å; G10-T12 PolarHBondContact O-N 3.2Å; T12-K16 WeakPolarHBondContact O-CB 3.44Å; T12-K16 PolarHBondContact O-N 3.23Å
13	K	60.4	Low	56.8	Low	151 Å²	151	111.6 Å²	111.6	66%	0.657	62%	0.615	S	S	*	*	H	α-helix	trans	-70.1	-48.6	172.2	-81.4	-173.1	177.5	-177.8	0	111.8	S9 G10 A15 K16 Q17	S9-K13 PolarHBondContact O-N 2.96Å; G10-K13 PolarHBondContact O-N 3Å; K13-A15 VanDerWaalsContact C-N 3.33Å; K13-A15 PolarHBondContact O-N 2.99Å; K13-K16 PolarHBondContact O-N 3.44Å; K13-Q17 WeakPolarHBondContact O-CB 3.41Å; K13-Q17 PolarHBondContact O-N 3.09Å
14	E	57.2	Low	56.2	Low	134 Å²	134	111.9 Å²	111.9	63%	0.626	62%	0.615	S	S	*	*	H	α-helix	trans	-63	-41	178.2	-71.3	-165.8	154.3	0	0	111.5	G10 K16 Q17 Q18	G10-E14 PolarHBondContact O-N 3.5Å; E14-K16 PolarHBondContact O-N 3.05Å; E14-Q17 PolarHBondContact O-N 2.93Å; E14-Q17 VanDerWaalsContact O-N 3.1Å; E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 2.79Å
15	A	59.9	Low	55.1	Low	49 Å²	49	114.1 Å²	114.1	41%	0.405	62%	0.616	S	S	.	*	H	α-helix	trans	-63.2	-41.3	174.4	0	0	0	0	0	112.4	L11 K13 Q17 W19	L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.36Å; K13-A15 VanDerWaalsContact C-N 3.33Å; K13-A15 PolarHBondContact O-N 2.99Å; A15-Q17 PolarHBondContact O-N 3.3Å; A15-W19 PolarHBondContact O-N 3.02Å
16	K	54.5	Low	54.4	Low	176 Å²	176	114.1 Å²	114.1	77%	0.765	63%	0.625	S	S	*	*	H	α-helix	trans	-63.2	-31.7	173	-92.7	-171.3	174.1	-173.9	0	112.7	T12 K13 E14 A20	T12-K16 WeakPolarHBondContact O-CB 3.44Å; T12-K16 PolarHBondContact O-N 3.23Å; K13-K16 PolarHBondContact O-N 3.44Å; E14-K16 PolarHBondContact O-N 3.05Å; K16-A20 PolarHBondContact O-N 3.13Å
17	Q	53.1	Low	54	Low	149 Å²	149	113.5 Å²	113.5	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-83.3	-30.1	-175.2	-150.6	152.7	-5.4	0	0	112.3	K13 E14 A15 A20	K13-Q17 WeakPolarHBondContact O-CB 3.41Å; K13-Q17 PolarHBondContact O-N 3.09Å; E14-Q17 PolarHBondContact O-N 2.93Å; E14-Q17 VanDerWaalsContact O-N 3.1Å; A15-Q17 PolarHBondContact O-N 3.3Å; Q17-A20 WeakPolarHBondContact O-CB 3.33Å; Q17-A20 PolarHBondContact O-N 3.24Å
18	Q	49.6	Very low	53.7	Low	170 Å²	170	113.5 Å²	113.5	79%	0.794	63%	0.629	S	S	*	*	H	α-helix	trans	-76.8	-23.2	179	-149.4	165.5	13.8	0	0	113.1	E14	E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 2.79Å
19	W	45.2	Very low	53.5	Low	226 Å²	226	115.5 Å²	115.5	86%	0.856	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	1.7	172.2	-66.3	73.7	0	0	0	113.3	A15 S21	A15-W19 PolarHBondContact O-N 3.02Å; W19-S21 VanDerWaalsContact C-N 3.26Å; W19-S21 PolarHBondContact O-N 3.45Å
20	A	46.3	Very low	53.3	Low	65 Å²	65	116.9 Å²	116.9	54%	0.537	65%	0.648	S	S	.	*	S	Bend	trans	-72.8	91	164.1	0	0	0	0	0	107.1	K16 Q17	K16-A20 PolarHBondContact O-N 3.13Å; Q17-A20 WeakPolarHBondContact O-CB 3.33Å; Q17-A20 PolarHBondContact O-N 3.24Å
21	S	42.2	Very low	53.9	Low	103 Å²	103	118.2 Å²	118.2	72%	0.72	65%	0.65	S	S	*	*			trans	-47.9	133.3	164.5	46.7	0	0	0	0	107.9	W19 S23	W19-S21 VanDerWaalsContact C-N 3.26Å; W19-S21 PolarHBondContact O-N 3.45Å; S21-S23 PolarHBondContact O-N 3.32Å
22	P	40.2	Very low	54.7	Low	118 Å²	118	119.2 Å²	119.2	77%	0.766	66%	0.656	S	S	*	*			trans	-53.9	115.1	-177.5	20.1	-30.7	0	0	0	107.3	I24	P22-I24 VanDerWaalsContact C-N 3.34Å; P22-I24 PolarHBondContact O-N 3.44Å
23	S	48.2	Very low	55.2	Low	100 Å²	100	122.5 Å²	122.5	70%	0.699	66%	0.659	S	S	*	*			trans	-55.1	105	176.7	49.5	0	0	0	0	106.2	S21 Q25	S21-S23 PolarHBondContact O-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.11Å
24	I	44.2	Very low	56	Low	154 Å²	154	119.7 Å²	119.7	79%	0.79	65%	0.649	S	S	*	*			trans	-63.5	87.4	163.3	-63.8	173	0	0	0	103.4	P22 S26	P22-I24 VanDerWaalsContact C-N 3.34Å; P22-I24 PolarHBondContact O-N 3.44Å; I24-S26 PolarHBondContact O-N 2.91Å
25	Q	44.1	Very low	57	Low	141 Å²	141	116.3 Å²	116.3	66%	0.659	64%	0.637	S	S	*	*			trans	-72.9	76.1	168.3	-175.3	150	-14.4	0	0	105.2	S23 D27	S23-Q25 PolarHBondContact O-N 3.11Å; Q25-D27 WeakPolarHBondContact CG-OD2 3.49Å; Q25-D27 PolarHBondContact NE2-OD2 3.21Å; Q25-D27 PolarHBondContact O-N 3.45Å
26	S	51.3	Low	58.1	Low	88 Å²	88	119.6 Å²	119.6	62%	0.615	65%	0.647	S	S	*	*			trans	-75.2	78	165.9	67.8	0	0	0	0	106.9	I24 A28	I24-S26 PolarHBondContact O-N 2.91Å; S26-A28 PolarHBondContact O-N 3.06Å
27	D	51.8	Low	59.2	Low	130 Å²	130	114 Å²	114	70%	0.695	63%	0.63	S	S	*	*			trans	-71.3	53	157.6	-72	-32	0	0	0	108.2	Q25	Q25-D27 WeakPolarHBondContact CG-OD2 3.49Å; Q25-D27 PolarHBondContact NE2-OD2 3.21Å; Q25-D27 PolarHBondContact O-N 3.45Å
28	A	60.6	Low	60.5	Low	73 Å²	73	108.9 Å²	108.9	60%	0.603	61%	0.609	S	S	*	*			trans	-70.8	125	171.8	0	0	0	0	0	106.7	S26	S26-A28 PolarHBondContact O-N 3.06Å
29	P	62.2	Low	62.3	Low	108 Å²	108	108.8 Å²	108.8	70%	0.701	60%	0.601	S	S	*	*			trans	-57.1	142.2	175.3	23.7	-31.9	0	0	0	109.1	T31	P29-T31 PolarHBondContact O-N 3.43Å
30	P	62.4	Low	64.3	Low	87 Å²	87	103.9 Å²	103.9	57%	0.565	59%	0.586	S	S	*	*			trans	-56	114.6	-179.7	23.6	-32.7	0	0	0	108	D32	P30-D32 PolarHBondContact O-N 3.34Å
31	T	72.3	Confident	66	Low	61 Å²	61	101.5 Å²	101.5	37%	0.374	57%	0.568	S	S	.	*			trans	-54	137.2	176.6	41.2	0	0	0	0	109.8	P29 Y33 E34	P29-T31 PolarHBondContact O-N 3.43Å; T31-Y33 HydrophobicContact CG2-CD1 4.25Å; T31-Y33 HydrophobicContact CG2-CE1 3.68Å; T31-Y33 PolarHBondContact O-N 2.87Å; T31-Y33 VanDerWaalsContact OG1-CD1 3.28Å; T31-Y33 WeakPolarHBondContact OG1-CD1 3.47Å; T31-Y33 WeakPolarHBondContact OG1-CE1 3.27Å; T31-Y33 PolarHBondContact OG1-OH 3.44Å; T31-E34 PolarHBondContact O-N 2.86Å
32	D	77.1	Confident	68.1	Low	133 Å²	133	104 Å²	104	71%	0.711	56%	0.562	S	S	*	*	H	α-helix	trans	-49.1	-27.9	-174.1	-64.2	-40.9	0	0	0	114	P30 E34 V35 I36	P30-D32 PolarHBondContact O-N 3.34Å; D32-E34 PolarHBondContact O-N 3.24Å; D32-V35 PolarHBondContact O-N 3Å; D32-I36 VanDerWaalsContact O-CG1 3.3Å; D32-I36 WeakPolarHBondContact O-CG1 3.5Å; D32-I36 PolarHBondContact O-N 3.05Å; D32-I36 VanDerWaalsContact O-N 3.1Å
33	Y	77.3	Confident	70.5	Confident	156 Å²	156	103.6 Å²	103.6	61%	0.612	55%	0.553	S	S	*	*	H	α-helix	trans	-62.7	-36.1	176.1	71.9	-107.1	0	0	0	113.7	T31 S37	T31-Y33 HydrophobicContact CG2-CD1 4.25Å; T31-Y33 HydrophobicContact CG2-CE1 3.68Å; T31-Y33 PolarHBondContact O-N 2.87Å; T31-Y33 VanDerWaalsContact OG1-CD1 3.28Å; T31-Y33 WeakPolarHBondContact OG1-CD1 3.47Å; T31-Y33 WeakPolarHBondContact OG1-CE1 3.27Å; T31-Y33 PolarHBondContact OG1-OH 3.44Å; Y33-S37 WeakPolarHBondContact O-CB 3.39Å; Y33-S37 PolarHBondContact O-N 3.01Å
34	E	75.9	Confident	72.3	Confident	93 Å²	93	101.5 Å²	101.5	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-44.4	-180	-66.7	-164.6	163.4	0	0	110.1	T31 D32 I36 S37 V38	T31-E34 PolarHBondContact O-N 2.86Å; D32-E34 PolarHBondContact O-N 3.24Å; E34-I36 PolarHBondContact O-N 2.87Å; E34-S37 PolarHBondContact O-N 3.39Å; E34-S37 PolarHBondContact O-OG 3.45Å; E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.42Å; E34-V38 PolarHBondContact O-N 3.35Å; E34-V38 VanDerWaalsContact O-N 3.09Å
35	V	78.6	Confident	74.3	Confident	63 Å²	63	95.3 Å²	95.3	38%	0.382	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-49.3	178.3	-176	0	0	0	0	109.9	D32 S37 V38 W39	D32-V35 PolarHBondContact O-N 3Å; V35-S37 VanDerWaalsContact C-N 3.32Å; V35-S37 PolarHBondContact O-N 3.48Å; V35-V38 PolarHBondContact O-N 3.43Å; V35-W39 PolarHBondContact O-N 3.18Å; V35-W39 VanDerWaalsContact O-N 3.12Å
36	I	82.7	Confident	76.4	Confident	118 Å²	118	90.6 Å²	90.6	61%	0.605	49%	0.492	S	S	*	.	H	α-helix	trans	-58.4	-43	178	-66.5	165.8	0	0	0	111.4	D32 E34 V38 W39 F40	D32-I36 VanDerWaalsContact O-CG1 3.3Å; D32-I36 WeakPolarHBondContact O-CG1 3.5Å; D32-I36 PolarHBondContact O-N 3.05Å; D32-I36 VanDerWaalsContact O-N 3.1Å; E34-I36 PolarHBondContact O-N 2.87Å; I36-V38 VanDerWaalsContact C-N 3.33Å; I36-V38 PolarHBondContact O-N 2.93Å; I36-W39 PolarHBondContact O-N 2.92Å; I36-F40 WeakPolarHBondContact O-CB 3.41Å; I36-F40 PolarHBondContact O-N 3.28Å
37	S	78.5	Confident	78.3	Confident	58 Å²	58	90.8 Å²	90.8	41%	0.406	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-37.1	-179.7	78.3	0	0	0	0	113.1	Y33 E34 V35 G41	Y33-S37 WeakPolarHBondContact O-CB 3.39Å; Y33-S37 PolarHBondContact O-N 3.01Å; E34-S37 PolarHBondContact O-N 3.39Å; E34-S37 PolarHBondContact O-OG 3.45Å; V35-S37 VanDerWaalsContact C-N 3.32Å; V35-S37 PolarHBondContact O-N 3.48Å; S37-G41 PolarHBondContact O-N 3.46Å
38	V	80.8	Confident	79.9	Confident	42 Å²	42	85.1 Å²	85.1	26%	0.255	46%	0.456	S	S	.	.	H	α-helix	trans	-68.5	-48.4	179.2	173.2	0	0	0	0	110.1	E34 V35 I36 F40 G41 Y42 R80	E34-V38 VanDerWaalsContact O-CG2 3.23Å; E34-V38 WeakPolarHBondContact O-CG2 3.42Å; E34-V38 PolarHBondContact O-N 3.35Å; E34-V38 VanDerWaalsContact O-N 3.09Å; V35-V38 PolarHBondContact O-N 3.43Å; I36-V38 VanDerWaalsContact C-N 3.33Å; I36-V38 PolarHBondContact O-N 2.93Å; V38-F40 VanDerWaalsContact C-N 3.34Å; V38-F40 PolarHBondContact O-N 3.47Å; V38-G41 PolarHBondContact O-N 3.45Å; V38-Y42 HydrophobicContact CG1-CD2 3.92Å; V38-Y42 HydrophobicContact CG1-CE2 3.37Å; V38-Y42 WeakPolarHBondContact O-CD2 3.28Å; V38-Y42 PolarHBondContact O-N 3.48Å; V38-Y42 VanDerWaalsContact O-N 3.07Å; V38-R80 VanDerWaalsContact CG2-NH2 3.35Å
39	W	86.7	Confident	81.2	Confident	167 Å²	167	88.1 Å²	88.1	63%	0.633	45%	0.452	S	S	*	.	H	α-helix	trans	-60.1	-43	175.8	-77.3	105.6	0	0	0	112.1	V35 I36 G41 Y42 I43	V35-W39 PolarHBondContact O-N 3.18Å; V35-W39 VanDerWaalsContact O-N 3.12Å; I36-W39 PolarHBondContact O-N 2.92Å; W39-G41 VanDerWaalsContact C-N 3.3Å; W39-G41 PolarHBondContact O-N 2.72Å; W39-Y42 PolarHBondContact O-N 3.07Å; W39-Y42 VanDerWaalsContact O-N 3.17Å; W39-I43 WeakPolarHBondContact O-CG1 3.47Å; W39-I43 PolarHBondContact O-N 2.89Å
40	F	86.2	Confident	82.6	Confident	123 Å²	123	89 Å²	89	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.3	-174.3	-109.7	0	0	0	111.9	I36 V38 Y42 I43 L44	I36-F40 WeakPolarHBondContact O-CB 3.41Å; I36-F40 PolarHBondContact O-N 3.28Å; V38-F40 VanDerWaalsContact C-N 3.34Å; V38-F40 PolarHBondContact O-N 3.47Å; F40-Y42 VanDerWaalsContact C-N 3.35Å; F40-Y42 PolarHBondContact O-N 3.31Å; F40-I43 PolarHBondContact O-N 2.88Å; F40-L44 HydrophobicContact CD1-CD1 3.73Å; F40-L44 HydrophobicContact CD1-CG 4.27Å; F40-L44 HydrophobicContact CE1-CD1 3.36Å; F40-L44 HydrophobicContact CE1-CD2 4.46Å; F40-L44 HydrophobicContact CE1-CG 3.95Å; F40-L44 HydrophobicContact CE2-CG 4.5Å; F40-L44 HydrophobicContact CZ-CD1 3.92Å; F40-L44 HydrophobicContact CZ-CD2 4.19Å; F40-L44 HydrophobicContact CZ-CG 4.06Å; F40-L44 WeakPolarHBondContact O-CG 3.41Å; F40-L44 PolarHBondContact O-N 3.25Å
41	G	82.7	Confident	83.8	Confident	15 Å²	15	89.2 Å²	89.2	16%	0.155	44%	0.44	C	S	.	.	H	α-helix	trans	-60.9	-39.5	174.2	0	0	0	0	0	113.5	S37 V38 W39 T45 L78	S37-G41 PolarHBondContact O-N 3.46Å; V38-G41 PolarHBondContact O-N 3.45Å; W39-G41 VanDerWaalsContact C-N 3.3Å; W39-G41 PolarHBondContact O-N 2.72Å; G41-T45 WeakPolarHBondContact O-CB 3.48Å; G41-T45 PolarHBondContact O-N 3.27Å; G41-T45 PolarHBondContact O-OG1 3.45Å; G41-L78 WeakPolarHBondContact O-CD1 3.33Å
42	Y	86.2	Confident	84.5	Confident	155 Å²	155	87.3 Å²	87.3	61%	0.608	43%	0.428	S	S	*	.	H	α-helix	trans	-67.4	-40.6	174.3	-70.3	-59.1	0	0	0	112.5	V38 W39 F40 T45 G46	V38-Y42 HydrophobicContact CG1-CD2 3.92Å; V38-Y42 HydrophobicContact CG1-CE2 3.37Å; V38-Y42 WeakPolarHBondContact O-CD2 3.28Å; V38-Y42 PolarHBondContact O-N 3.48Å; V38-Y42 VanDerWaalsContact O-N 3.07Å; W39-Y42 PolarHBondContact O-N 3.07Å; W39-Y42 VanDerWaalsContact O-N 3.17Å; F40-Y42 VanDerWaalsContact C-N 3.35Å; F40-Y42 PolarHBondContact O-N 3.31Å; Y42-T45 PolarHBondContact O-N 2.99Å; Y42-G46 PolarHBondContact O-N 3.05Å
43	I	89.9	Confident	85	Confident	110 Å²	110	84.2 Å²	84.2	56%	0.564	42%	0.422	S	S	*	.	H	α-helix	trans	-62.6	-46.7	176	-67.2	164.8	0	0	0	110.6	W39 F40 T45 G46 L47	W39-I43 WeakPolarHBondContact O-CG1 3.47Å; W39-I43 PolarHBondContact O-N 2.89Å; F40-I43 PolarHBondContact O-N 2.88Å; I43-T45 VanDerWaalsContact C-N 3.31Å; I43-T45 PolarHBondContact O-N 2.95Å; I43-G46 PolarHBondContact O-N 3.33Å; I43-L47 WeakPolarHBondContact O-CB 3.43Å; I43-L47 PolarHBondContact O-N 3.34Å
44	L	87.2	Confident	85.7	Confident	57 Å²	57	82.3 Å²	82.3	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-43	176	-77.4	176.2	0	0	0	111.9	F40 L47 S48 L78 I98	F40-L44 HydrophobicContact CD1-CD1 3.73Å; F40-L44 HydrophobicContact CD1-CG 4.27Å; F40-L44 HydrophobicContact CE1-CD1 3.36Å; F40-L44 HydrophobicContact CE1-CD2 4.46Å; F40-L44 HydrophobicContact CE1-CG 3.95Å; F40-L44 HydrophobicContact CE2-CG 4.5Å; F40-L44 HydrophobicContact CZ-CD1 3.92Å; F40-L44 HydrophobicContact CZ-CD2 4.19Å; F40-L44 HydrophobicContact CZ-CG 4.06Å; F40-L44 WeakPolarHBondContact O-CG 3.41Å; F40-L44 PolarHBondContact O-N 3.25Å; L44-L47 PolarHBondContact O-N 2.94Å; L44-S48 WeakPolarHBondContact O-CB 3.36Å; L44-S48 PolarHBondContact O-N 3.25Å; L44-L78 HydrophobicContact CB-CD1 4.32Å; L44-L78 HydrophobicContact CD1-CD1 4.43Å; L44-L78 HydrophobicContact CD1-CD2 4.33Å; L44-I98 HydrophobicContact CB-CD1 4.46Å; L44-I98 WeakPolarHBondContact O-CD1 3.34Å
45	T	85.5	Confident	86.2	Confident	24 Å²	24	81 Å²	81	15%	0.147	42%	0.42	C	S	.	.	H	α-helix	trans	-60.9	-48	176.2	-56.9	0	0	0	0	110.1	G41 Y42 I43 L47 S48 W49	G41-T45 WeakPolarHBondContact O-CB 3.48Å; G41-T45 PolarHBondContact O-N 3.27Å; G41-T45 PolarHBondContact O-OG1 3.45Å; Y42-T45 PolarHBondContact O-N 2.99Å; I43-T45 VanDerWaalsContact C-N 3.31Å; I43-T45 PolarHBondContact O-N 2.95Å; T45-L47 PolarHBondContact O-N 3.4Å; T45-S48 PolarHBondContact O-N 2.91Å; T45-W49 PolarHBondContact O-N 3.26Å
46	G	89.1	Confident	86.5	Confident	41 Å²	41	85 Å²	85	42%	0.423	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-42.6	177.1	0	0	0	0	0	113.7	Y42 I43 S48 W49 F50	Y42-G46 PolarHBondContact O-N 3.05Å; I43-G46 PolarHBondContact O-N 3.33Å; G46-S48 VanDerWaalsContact C-N 3.32Å; G46-S48 PolarHBondContact O-N 2.9Å; G46-W49 WeakPolarHBondContact O-CB 3.43Å; G46-W49 PolarHBondContact O-N 2.95Å; G46-F50 PolarHBondContact O-N 3.39Å
47	L	89.8	Confident	86.7	Confident	92 Å²	92	83.1 Å²	83.1	48%	0.482	43%	0.427	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.5	-179.7	65.1	0	0	0	111.4	I43 L44 T45 F50 I51	I43-L47 WeakPolarHBondContact O-CB 3.43Å; I43-L47 PolarHBondContact O-N 3.34Å; L44-L47 PolarHBondContact O-N 2.94Å; T45-L47 PolarHBondContact O-N 3.4Å; L47-F50 WeakPolarHBondContact O-CB 3.49Å; L47-F50 PolarHBondContact O-N 2.91Å; L47-I51 HydrophobicContact CD1-CD1 4.47Å; L47-I51 HydrophobicContact CG-CD1 4.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 2.83Å
48	S	85.6	Confident	87.1	Confident	12 Å²	12	87.8 Å²	87.8	8%	0.084	44%	0.441	C	S	.	.	H	α-helix	trans	-65	-41.2	176.6	177.5	0	0	0	0	112.4	L44 T45 G46 F50 I51 V52 M95	L44-S48 WeakPolarHBondContact O-CB 3.36Å; L44-S48 PolarHBondContact O-N 3.25Å; T45-S48 PolarHBondContact O-N 2.91Å; G46-S48 VanDerWaalsContact C-N 3.32Å; G46-S48 PolarHBondContact O-N 2.9Å; S48-F50 VanDerWaalsContact C-N 3.29Å; S48-F50 PolarHBondContact O-N 3.26Å; S48-I51 PolarHBondContact O-N 3.46Å; S48-V52 WeakPolarHBondContact O-CG2 3.45Å; S48-V52 PolarHBondContact O-N 2.88Å; S48-M95 WeakPolarHBondContact OG-CG 3.41Å; S48-M95 PolarHBondContact OG-SD 3.22Å
49	W	89.6	Confident	87.3	Confident	136 Å²	136	86.2 Å²	86.2	52%	0.515	43%	0.432	S	S	.	.	H	α-helix	trans	-57.4	-42.5	170.3	-84.5	96.4	0	0	0	112.1	T45 G46 V52 A53 F93 M95	T45-W49 PolarHBondContact O-N 3.26Å; G46-W49 WeakPolarHBondContact O-CB 3.43Å; G46-W49 PolarHBondContact O-N 2.95Å; W49-V52 PolarHBondContact O-N 3.38Å; W49-A53 WeakPolarHBondContact O-CB 3.43Å; W49-A53 PolarHBondContact O-N 2.87Å; W49-F93 HydrophobicContact CH2-CE1 4.35Å; W49-M95 HydrophobicContact CD2-CE 3.86Å; W49-M95 HydrophobicContact CE3-CE 4.45Å; W49-M95 HydrophobicContact CG-CE 3.95Å; W49-M95 HydrophobicContact CZ2-CE 4.47Å
50	F	91.1	Very high	87.1	Confident	127 Å²	127	79.4 Å²	79.4	56%	0.557	41%	0.411	S	S	*	.	H	α-helix	trans	-64.8	-43.9	177.6	-176.2	-107.3	0	0	0	112.7	G46 L47 S48 V52 A53 I54	G46-F50 PolarHBondContact O-N 3.39Å; L47-F50 WeakPolarHBondContact O-CB 3.49Å; L47-F50 PolarHBondContact O-N 2.91Å; S48-F50 VanDerWaalsContact C-N 3.29Å; S48-F50 PolarHBondContact O-N 3.26Å; F50-V52 VanDerWaalsContact C-N 3.31Å; F50-V52 PolarHBondContact O-N 2.89Å; F50-A53 PolarHBondContact O-N 3.47Å; F50-I54 HydrophobicContact CD1-CD1 3.7Å; F50-I54 HydrophobicContact CE1-CD1 3.17Å; F50-I54 HydrophobicContact CE1-CG1 4.24Å; F50-I54 HydrophobicContact CE2-CD1 4.16Å; F50-I54 HydrophobicContact CG-CD1 4.4Å; F50-I54 HydrophobicContact CZ-CD1 3.44Å; F50-I54 VanDerWaalsContact CZ-CD1 3.44Å; F50-I54 HydrophobicContact CZ-CG1 4.24Å; F50-I54 PolarHBondContact O-N 3.26Å
51	I	87.8	Confident	87	Confident	91 Å²	91	78.6 Å²	78.6	47%	0.467	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-41.9	175.7	-68.5	166.1	0	0	0	110.6	L47 S48 A53 I54 T55	L47-I51 HydrophobicContact CD1-CD1 4.47Å; L47-I51 HydrophobicContact CG-CD1 4.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 2.83Å; S48-I51 PolarHBondContact O-N 3.46Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.39Å; I51-I54 PolarHBondContact O-N 3.39Å; I51-T55 VanDerWaalsContact O-CB 3.29Å; I51-T55 WeakPolarHBondContact O-CB 3.34Å; I51-T55 PolarHBondContact O-N 2.85Å; I51-T55 PolarHBondContact O-OG1 2.95Å
52	V	86.4	Confident	87	Confident	20 Å²	20	86 Å²	86	12%	0.121	45%	0.448	C	S	.	.	H	α-helix	trans	-65.8	-37.3	177.3	166.4	0	0	0	0	111.9	S48 W49 F50 F56 S59 F93 M95 P96	S48-V52 WeakPolarHBondContact O-CG2 3.45Å; S48-V52 PolarHBondContact O-N 2.88Å; W49-V52 PolarHBondContact O-N 3.38Å; F50-V52 VanDerWaalsContact C-N 3.31Å; F50-V52 PolarHBondContact O-N 2.89Å; V52-F56 PolarHBondContact O-N 3.17Å; V52-S59 PolarHBondContact O-OG 3.49Å; V52-F93 HydrophobicContact CG1-CZ 4.36Å; V52-M95 HydrophobicContact CB-SD 4.18Å; V52-M95 HydrophobicContact CG2-CE 4.4Å; V52-M95 HydrophobicContact CG2-SD 3.33Å; V52-M95 WeakPolarHBondContact CG2-SD 3.25Å; V52-P96 HydrophobicContact CG2-CG 4.49Å
53	A	87.6	Confident	87	Confident	69 Å²	69	78.6 Å²	78.6	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-66.3	-44.8	175.8	0	0	0	0	0	112.6	W49 F50 I51 T55 F56	W49-A53 WeakPolarHBondContact O-CB 3.43Å; W49-A53 PolarHBondContact O-N 2.87Å; F50-A53 PolarHBondContact O-N 3.47Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.39Å; A53-T55 VanDerWaalsContact C-N 3.34Å; A53-F56 VanDerWaalsContact O-CB 3.27Å; A53-F56 WeakPolarHBondContact O-CB 3.49Å; A53-F56 PolarHBondContact O-N 3.31Å
54	I	90.9	Very high	86.9	Confident	115 Å²	115	77.5 Å²	77.5	59%	0.59	41%	0.413	S	S	*	.	H	α-helix	trans	-63.6	-41.5	176.1	-71.7	176.2	0	0	0	111.2	F50 I51 F56	F50-I54 HydrophobicContact CD1-CD1 3.7Å; F50-I54 HydrophobicContact CE1-CD1 3.17Å; F50-I54 HydrophobicContact CE1-CG1 4.24Å; F50-I54 HydrophobicContact CE2-CD1 4.16Å; F50-I54 HydrophobicContact CG-CD1 4.4Å; F50-I54 HydrophobicContact CZ-CD1 3.44Å; F50-I54 VanDerWaalsContact CZ-CD1 3.44Å; F50-I54 HydrophobicContact CZ-CG1 4.24Å; F50-I54 PolarHBondContact O-N 3.26Å; I51-I54 PolarHBondContact O-N 3.39Å; I54-F56 PolarHBondContact O-N 3.07Å
55	T	87.1	Confident	87	Confident	67 Å²	67	78.9 Å²	78.9	41%	0.411	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.9	-175.8	-42	0	0	0	0	112.8	I51 A53 F58 S59	I51-T55 VanDerWaalsContact O-CB 3.29Å; I51-T55 WeakPolarHBondContact O-CB 3.34Å; I51-T55 PolarHBondContact O-N 2.85Å; I51-T55 PolarHBondContact O-OG1 2.95Å; A53-T55 VanDerWaalsContact C-N 3.34Å; T55-F58 HydrophobicContact CG2-CB 4.49Å; T55-F58 PolarHBondContact O-N 3.33Å; T55-S59 PolarHBondContact O-N 3.48Å
56	F	85.5	Confident	87.3	Confident	146 Å²	146	82.5 Å²	82.5	64%	0.64	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	132.9	176.2	-172.7	-97	0	0	0	110	V52 A53 I54 A60	V52-F56 PolarHBondContact O-N 3.17Å; A53-F56 VanDerWaalsContact O-CB 3.27Å; A53-F56 WeakPolarHBondContact O-CB 3.49Å; A53-F56 PolarHBondContact O-N 3.31Å; I54-F56 PolarHBondContact O-N 3.07Å; F56-A60 HydrophobicContact CD2-CB 4.1Å; F56-A60 HydrophobicContact CE2-CB 3.92Å
57	P	85.4	Confident	87.4	Confident	79 Å²	79	80.7 Å²	80.7	51%	0.513	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96	-7.6	14.6	35.9	-35.9	0	0	0	116.1	S59 A60	P57-S59 VanDerWaalsContact C-N 3.34Å; P57-S59 PolarHBondContact O-N 2.9Å; P57-A60 PolarHBondContact O-N 3.4Å
58	F	86.9	Confident	87.6	Confident	155 Å²	155	81.3 Å²	81.3	68%	0.68	42%	0.418	S	S	*	.	H	α-helix	trans	-62.1	-41	-174	-67.4	-82.3	0	0	0	112.4	T55 A60 C61 F62	T55-F58 HydrophobicContact CG2-CB 4.49Å; T55-F58 PolarHBondContact O-N 3.33Å; F58-A60 VanDerWaalsContact C-N 3.3Å; F58-A60 PolarHBondContact O-N 2.95Å; F58-C61 PolarHBondContact O-N 3Å; F58-F62 WeakPolarHBondContact O-CD2 3.38Å
59	S	86	Confident	87.9	Confident	10 Å²	10	87 Å²	87	7%	0.07	44%	0.443	C	S	.	.	H	α-helix	trans	-58.4	-39.3	177.7	57.9	0	0	0	0	112.7	V52 T55 P57 C61 F62 C63	V52-S59 PolarHBondContact O-OG 3.49Å; T55-S59 PolarHBondContact O-N 3.48Å; P57-S59 VanDerWaalsContact C-N 3.34Å; P57-S59 PolarHBondContact O-N 2.9Å; S59-C61 VanDerWaalsContact C-N 3.31Å; S59-C61 PolarHBondContact O-N 3.21Å; S59-F62 PolarHBondContact O-N 2.91Å; S59-F62 VanDerWaalsContact O-N 3.07Å; S59-C63 PolarHBondContact O-N 3.37Å; S59-C63 PolarHBondContact O-SG 3.34Å
60	A	82.5	Confident	88.1	Confident	24 Å²	24	84.5 Å²	84.5	20%	0.198	44%	0.435	C	S	.	.	H	α-helix	trans	-61.5	-38.1	-176.6	0	0	0	0	0	112.6	F56 P57 F58 F62 C63 L64	F56-A60 HydrophobicContact CD2-CB 4.1Å; F56-A60 HydrophobicContact CE2-CB 3.92Å; P57-A60 PolarHBondContact O-N 3.4Å; F58-A60 VanDerWaalsContact C-N 3.3Å; F58-A60 PolarHBondContact O-N 2.95Å; A60-F62 VanDerWaalsContact C-N 3.28Å; A60-F62 PolarHBondContact O-N 3.45Å; A60-C63 PolarHBondContact O-N 2.82Å; A60-L64 WeakPolarHBondContact O-CB 3.47Å; A60-L64 VanDerWaalsContact O-CG 3.28Å; A60-L64 WeakPolarHBondContact O-CG 3.48Å; A60-L64 PolarHBondContact O-N 2.92Å
61	C	83.9	Confident	88.3	Confident	105 Å²	105	79.6 Å²	79.6	71%	0.709	41%	0.413	S	S	*	.	H	α-helix	trans	-63.1	-34.9	176.6	-169.4	0	0	0	0	112.2	F58 S59	F58-C61 PolarHBondContact O-N 3Å; S59-C61 VanDerWaalsContact C-N 3.31Å; S59-C61 PolarHBondContact O-N 3.21Å
62	F	83.4	Confident	88.6	Confident	171 Å²	171	77.7 Å²	77.7	75%	0.75	40%	0.4	S	S	*	.	H	α-helix	trans	-82.1	-31.7	176.9	-71	-77.6	0	0	0	113.4	F58 S59 A60	F58-F62 WeakPolarHBondContact O-CD2 3.38Å; S59-F62 PolarHBondContact O-N 2.91Å; S59-F62 VanDerWaalsContact O-N 3.07Å; A60-F62 VanDerWaalsContact C-N 3.28Å; A60-F62 PolarHBondContact O-N 3.45Å
63	C	85.8	Confident	89	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-77.1	-30.8	-178.4	-60	0	0	0	0	112.8	S59 A60 K65 F93 I94 P96	S59-C63 PolarHBondContact O-N 3.37Å; S59-C63 PolarHBondContact O-SG 3.34Å; A60-C63 PolarHBondContact O-N 2.82Å; C63-K65 PolarHBondContact O-N 3.5Å; C63-F93 HydrophobicContact CB-CD2 3.74Å; C63-F93 HydrophobicContact CB-CE2 3.31Å; C63-F93 HydrophobicContact CB-CZ 3.87Å; C63-I94 VanDerWaalsContact CA-O 3.3Å; C63-I94 WeakPolarHBondContact CA-O 3.49Å; C63-I94 PolarHBondContact O-N 2.92Å; C63-P96 WeakPolarHBondContact SG-CD 3.44Å
64	L	87.9	Confident	89.2	Confident	87 Å²	87	73.5 Å²	73.5	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	110.6	-179	-68.1	173.8	0	0	0	110	A60 L91 F93	A60-L64 WeakPolarHBondContact O-CB 3.47Å; A60-L64 VanDerWaalsContact O-CG 3.28Å; A60-L64 WeakPolarHBondContact O-CG 3.48Å; A60-L64 PolarHBondContact O-N 2.92Å; L64-L91 HydrophobicContact CB-CD2 4.16Å; L64-L91 HydrophobicContact CD2-CD2 4.49Å; L64-F93 HydrophobicContact CD2-CD2 4.19Å
65	K	88.6	Confident	89.3	Confident	85 Å²	85	68.5 Å²	68.5	37%	0.37	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.5	175.4	-157	160.7	-176	74.7	0	110.4	C63 V92 I94 Y101	C63-K65 PolarHBondContact O-N 3.5Å; K65-V92 PolarHBondContact N-O 3.46Å; K65-V92 PolarHBondContact O-N 3Å; K65-I94 HydrophobicContact CB-CD1 4.15Å; K65-I94 HydrophobicContact CD-CD1 4.46Å; K65-Y101 HydrophobicContact CD-CE2 4.45Å; K65-Y101 VanDerWaalsContact CE-OH 3.26Å; K65-Y101 WeakPolarHBondContact CE-OH 3.36Å
66	V	91.4	Very high	89.5	Confident	100 Å²	100	66.8 Å²	66.8	61%	0.606	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	176.8	-175.3	0	0	0	0	109.2	L91	V66-L91 HydrophobicContact CG2-CD2 3.76Å; V66-L91 HydrophobicContact CG2-CG 4.28Å
67	I	92.8	Very high	89.6	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.3	175.2	-59.7	159.9	0	0	0	108.1	E71 V73 G90 V92	I67-E71 HydrophobicContact CG2-CB 3.66Å; I67-E71 WeakPolarHBondContact CG2-O 3.5Å; I67-V73 HydrophobicContact CD1-CB 3.66Å; I67-V73 HydrophobicContact CD1-CG2 3.26Å; I67-V73 HydrophobicContact CG1-CG2 3.64Å; I67-V73 HydrophobicContact CG2-CG2 4.16Å; I67-G90 PolarHBondContact N-O 3.44Å; I67-G90 PolarHBondContact O-N 3.36Å; I67-V92 HydrophobicContact CD1-CB 3.59Å; I67-V92 HydrophobicContact CD1-CG1 4.22Å; I67-V92 HydrophobicContact CD1-CG2 3.41Å; I67-V92 VanDerWaalsContact CD1-CG2 3.41Å
68	K	93.8	Very high	89.7	Confident	104 Å²	104	62.4 Å²	62.4	45%	0.452	30%	0.303	S	S	.	.			trans	-76.9	160.9	-179.2	-55.5	-179.3	-164.1	143.4	0	111.3	Y70 E71	K68-Y70 VanDerWaalsContact C-N 3.27Å; K68-Y70 HydrophobicContact CB-CD1 4.34Å; K68-Y70 HydrophobicContact CB-CE1 4.07Å; K68-Y70 HydrophobicContact CB-CE2 4.4Å; K68-Y70 HydrophobicContact CD-CE1 3.86Å; K68-Y70 HydrophobicContact CD-CE2 3.91Å; K68-Y70 WeakPolarHBondContact CD-OH 3.45Å; K68-Y70 WeakPolarHBondContact CE-OH 3.24Å; K68-Y70 PolarHBondContact NZ-OH 3.02Å; K68-Y70 PolarHBondContact O-N 3.48Å; K68-E71 HydrophobicContact CB-CB 4.48Å; K68-E71 HydrophobicContact CB-CG 4.28Å; K68-E71 WeakPolarHBondContact CD-OE1 3.33Å; K68-E71 IonicContact NZ-OE1 3.4Å; K68-E71 PolarHBondContact NZ-OE1 2.91Å; K68-E71 PolarHBondContact O-N 3.15Å
69	E	92.2	Very high	89.6	Confident	132 Å²	132	58.2 Å²	58.2	62%	0.617	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-41.2	-178	-169.2	57.2	-137.7	0	0	113.8	E71 R72 P89	E69-E71 VanDerWaalsContact C-N 3.34Å; E69-R72 PolarHBondContact O-NH1 2.96Å; E69-P89 WeakPolarHBondContact OE1-CG 3.46Å; E69-P89 VanDerWaalsContact OE2-CB 3.31Å; E69-P89 WeakPolarHBondContact OE2-CB 3.42Å; E69-P89 WeakPolarHBondContact OE2-CG 3.49Å
70	Y	93.9	Very high	89.6	Confident	84 Å²	84	64.3 Å²	64.3	33%	0.329	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	0.2	-178.3	56.3	-99.2	0	0	0	114.4	K68 L106 R107	K68-Y70 VanDerWaalsContact C-N 3.27Å; K68-Y70 HydrophobicContact CB-CD1 4.34Å; K68-Y70 HydrophobicContact CB-CE1 4.07Å; K68-Y70 HydrophobicContact CB-CE2 4.4Å; K68-Y70 HydrophobicContact CD-CE1 3.86Å; K68-Y70 HydrophobicContact CD-CE2 3.91Å; K68-Y70 WeakPolarHBondContact CD-OH 3.45Å; K68-Y70 WeakPolarHBondContact CE-OH 3.24Å; K68-Y70 PolarHBondContact NZ-OH 3.02Å; K68-Y70 PolarHBondContact O-N 3.48Å; Y70-L106 PolarHBondContact O-N 2.72Å; Y70-R107 HydrophobicContact CG-CG 4.43Å
71	E	94.8	Very high	89.9	Confident	24 Å²	24	66.4 Å²	66.4	11%	0.112	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.1	178	-67.9	175	-164.1	0	0	109.7	I67 K68 E69 K103 I104	I67-E71 HydrophobicContact CG2-CB 3.66Å; I67-E71 WeakPolarHBondContact CG2-O 3.5Å; K68-E71 HydrophobicContact CB-CB 4.48Å; K68-E71 HydrophobicContact CB-CG 4.28Å; K68-E71 WeakPolarHBondContact CD-OE1 3.33Å; K68-E71 IonicContact NZ-OE1 3.4Å; K68-E71 PolarHBondContact NZ-OE1 2.91Å; K68-E71 PolarHBondContact O-N 3.15Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E71-K103 IonicContact OE2-NZ 2.85Å; E71-K103 PolarHBondContact OE2-NZ 3.4Å; E71-I104 CarbonylContact C-O 3.5Å; E71-I104 WeakPolarHBondContact CA-O 3.36Å
72	R	94.2	Very high	89.9	Confident	50 Å²	50	63.8 Å²	63.8	19%	0.189	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.6	166.4	-68.1	-66.4	178.8	-87.2	1.1	109.9	E69 A86 I104 L106 P139	E69-R72 PolarHBondContact O-NH1 2.96Å; R72-A86 HydrophobicContact CB-CB 4.23Å; R72-I104 PolarHBondContact N-O 3.43Å; R72-I104 PolarHBondContact O-N 3.13Å; R72-L106 HydrophobicContact CG-CD1 3.49Å; R72-L106 VanDerWaalsContact CG-CD1 3.49Å; R72-L106 HydrophobicContact CG-CD2 4.09Å; R72-L106 HydrophobicContact CG-CG 3.9Å; R72-P139 HydrophobicContact CB-CB 4.28Å; R72-P139 HydrophobicContact CB-CG 4.12Å; R72-P139 HydrophobicContact CG-CG 4.49Å
73	V	93.7	Very high	89.7	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.5	-179.1	177.9	0	0	0	0	110.8	I67 I75 K87 Y101 R102 K103	I67-V73 HydrophobicContact CD1-CB 3.66Å; I67-V73 HydrophobicContact CD1-CG2 3.26Å; I67-V73 HydrophobicContact CG1-CG2 3.64Å; I67-V73 HydrophobicContact CG2-CG2 4.16Å; V73-I75 HydrophobicContact CG1-CG1 3.84Å; V73-K87 PolarHBondContact N-O 2.87Å; V73-K87 PolarHBondContact O-N 3.44Å; V73-Y101 HydrophobicContact CG1-CD2 3.97Å; V73-Y101 HydrophobicContact CG1-CG 4.17Å; V73-R102 WeakPolarHBondContact CA-O 3.37Å; V73-K103 HydrophobicContact CG2-CG 3.87Å
74	V	92.7	Very high	89.5	Confident	1 Å²	1	64 Å²	64	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.7	169.6	-175.9	0	0	0	0	107.5	F76 L81 A86 Y101 R102 I104 P139 I140	V74-F76 HydrophobicContact CB-CE2 4.27Å; V74-F76 HydrophobicContact CG1-CD2 4.43Å; V74-F76 HydrophobicContact CG1-CE1 4.32Å; V74-F76 HydrophobicContact CG1-CE2 3.64Å; V74-F76 HydrophobicContact CG1-CZ 3.57Å; V74-L81 HydrophobicContact CG1-CD1 3.51Å; V74-A86 HydrophobicContact CG2-CB 4.24Å; V74-Y101 CarbonylContact O-C 3.57Å; V74-Y101 VanDerWaalsContact O-CA 3.3Å; V74-Y101 WeakPolarHBondContact O-CA 3.27Å; V74-R102 PolarHBondContact N-O 3.46Å; V74-R102 PolarHBondContact O-N 2.96Å; V74-I104 HydrophobicContact CG2-CD1 3.63Å; V74-P139 HydrophobicContact CG2-CB 4.07Å; V74-P139 WeakPolarHBondContact CG2-O 3.43Å; V74-I140 HydrophobicContact CG2-CG1 4.38Å
75	I	91.8	Very high	89.2	Confident	9 Å²	9	65.7 Å²	65.7	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.3	-176.3	-52.2	174.4	0	0	0	108.8	V73 M82 K87 V92 I94 D99	V73-I75 HydrophobicContact CG1-CG1 3.84Å; I75-M82 HydrophobicContact CB-CG 4.31Å; I75-M82 HydrophobicContact CB-SD 3.95Å; I75-M82 HydrophobicContact CD1-SD 4.43Å; I75-M82 HydrophobicContact CG2-CG 4.25Å; I75-M82 HydrophobicContact CG2-SD 3.68Å; I75-M82 PolarHBondContact O-N 3.46Å; I75-M82 VanDerWaalsContact O-N 3.16Å; I75-K87 HydrophobicContact CD1-CB 4.38Å; I75-K87 HydrophobicContact CD1-CG 4.05Å; I75-V92 HydrophobicContact CD1-CG1 3.8Å; I75-I94 HydrophobicContact CD1-CG1 4.43Å; I75-D99 HydrophobicContact CG2-CB 3.9Å
76	F	91.2	Very high	89	Confident	31 Å²	31	62.3 Å²	62.3	14%	0.136	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.9	173.3	-59.6	-84.5	0	0	0	108.7	V74 R80 L81 D99 T100 R102 V143	V74-F76 HydrophobicContact CB-CE2 4.27Å; V74-F76 HydrophobicContact CG1-CD2 4.43Å; V74-F76 HydrophobicContact CG1-CE1 4.32Å; V74-F76 HydrophobicContact CG1-CE2 3.64Å; V74-F76 HydrophobicContact CG1-CZ 3.57Å; F76-R80 CarbonylContact C-O 3.59Å; F76-R80 VanDerWaalsContact CA-O 3.3Å; F76-R80 WeakPolarHBondContact CA-O 3.25Å; F76-L81 HydrophobicContact CD1-CB 4.48Å; F76-L81 HydrophobicContact CD1-CD1 4.5Å; F76-L81 HydrophobicContact CE1-CB 4.41Å; F76-L81 HydrophobicContact CE1-CD1 4.09Å; F76-L81 HydrophobicContact CZ-CD1 4.5Å; F76-D99 WeakPolarHBondContact O-CA 3.37Å; F76-T100 PolarHBondContact N-O 3.45Å; F76-T100 PolarHBondContact O-N 3.29Å; F76-R102 HydrophobicContact CE2-CG 4.22Å; F76-V143 HydrophobicContact CE2-CG1 3.81Å; F76-V143 HydrophobicContact CZ-CB 4.42Å; F76-V143 HydrophobicContact CZ-CG1 3.59Å
77	R	89.7	Confident	88.7	Confident	57 Å²	57	62.3 Å²	62.3	22%	0.215	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.4	176.3	176.6	160.8	-64.4	163	3.9	108.9	G79 R80 M82 I98 D99	R77-G79 PolarHBondContact O-N 3.25Å; R77-R80 PolarHBondContact N-O 2.92Å; R77-R80 PolarHBondContact O-N 3.47Å; R77-M82 HydrophobicContact CB-CG 4.11Å; R77-I98 HydrophobicContact CG-CG2 3.82Å; R77-D99 WeakPolarHBondContact CB-OD1 3.39Å; R77-D99 IonicContact CZ-OD1 2.61Å; R77-D99 IonicContact CZ-OD2 2.84Å; R77-D99 IonicContact NE-OD1 3.23Å; R77-D99 PolarHBondContact NE-OD1 2.86Å; R77-D99 IonicContact NE-OD2 3.21Å; R77-D99 IonicContact NH2-OD1 2.69Å; R77-D99 PolarHBondContact NH2-OD1 3.47Å; R77-D99 IonicContact NH2-OD2 2.93Å; R77-D99 PolarHBondContact NH2-OD2 3.14Å
78	L	85.9	Confident	87.9	Confident	76 Å²	76	63.4 Å²	63.4	40%	0.398	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	40.6	-174.7	-58.7	172.4	0	0	0	112.4	G41 L44 R80 I98	G41-L78 WeakPolarHBondContact O-CD1 3.33Å; L44-L78 HydrophobicContact CB-CD1 4.32Å; L44-L78 HydrophobicContact CD1-CD1 4.43Å; L44-L78 HydrophobicContact CD1-CD2 4.33Å; L78-R80 PolarHBondContact O-N 3.38Å; L78-I98 HydrophobicContact CD1-CG2 4.44Å; L78-I98 HydrophobicContact CD2-CG2 3.69Å; L78-I98 HydrophobicContact CG-CG2 3.6Å; L78-I98 PolarHBondContact N-O 3.13Å
79	G	84.9	Confident	87.3	Confident	68 Å²	68	61.1 Å²	61.1	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-4.6	-178.6	0	0	0	0	0	115.5	R77	R77-G79 PolarHBondContact O-N 3.25Å
80	R	87.2	Confident	87.3	Confident	137 Å²	137	56.2 Å²	56.2	52%	0.517	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137	176.5	-61.5	-177.7	-180	-176.1	-0.8	110.7	V38 F76 R77 L78 M82	V38-R80 VanDerWaalsContact CG2-NH2 3.35Å; F76-R80 CarbonylContact C-O 3.59Å; F76-R80 VanDerWaalsContact CA-O 3.3Å; F76-R80 WeakPolarHBondContact CA-O 3.25Å; R77-R80 PolarHBondContact N-O 2.92Å; R77-R80 PolarHBondContact O-N 3.47Å; L78-R80 PolarHBondContact O-N 3.38Å; R80-M82 PolarHBondContact O-N 3.1Å
81	L	87.4	Confident	87	Confident	68 Å²	68	58 Å²	58	36%	0.356	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.6	172.6	-178.8	67.3	0	0	0	109.5	V74 F76 I140	V74-L81 HydrophobicContact CG1-CD1 3.51Å; F76-L81 HydrophobicContact CD1-CB 4.48Å; F76-L81 HydrophobicContact CD1-CD1 4.5Å; F76-L81 HydrophobicContact CE1-CB 4.41Å; F76-L81 HydrophobicContact CE1-CD1 4.09Å; F76-L81 HydrophobicContact CZ-CD1 4.5Å; L81-I140 HydrophobicContact CD1-CG2 4.27Å; L81-I140 HydrophobicContact CD2-CG2 3.46Å; L81-I140 VanDerWaalsContact CD2-CG2 3.46Å
82	M	84.7	Confident	86.8	Confident	50 Å²	50	57.6 Å²	57.6	25%	0.246	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.4	136	173.9	-74.7	-166.5	69.5	0	0	110.5	I75 R77 R80 G84	I75-M82 HydrophobicContact CB-CG 4.31Å; I75-M82 HydrophobicContact CB-SD 3.95Å; I75-M82 HydrophobicContact CD1-SD 4.43Å; I75-M82 HydrophobicContact CG2-CG 4.25Å; I75-M82 HydrophobicContact CG2-SD 3.68Å; I75-M82 PolarHBondContact O-N 3.46Å; I75-M82 VanDerWaalsContact O-N 3.16Å; R77-M82 HydrophobicContact CB-CG 4.11Å; R80-M82 PolarHBondContact O-N 3.1Å; M82-G84 PolarHBondContact O-N 2.92Å
83	P	78.8	Confident	86.5	Confident	124 Å²	124	58.9 Å²	58.9	81%	0.805	35%	0.346	S	S	*	.	S	Bend	trans	-64.2	128.8	179.4	25.8	-33.1	0	0	0	110.6
84	G	81.5	Confident	86.3	Confident	52 Å²	52	59.5 Å²	59.5	54%	0.536	35%	0.349	S	S	.	.	S	Bend	trans	125.8	-174.7	177.6	0	0	0	0	0	113.4	M82 I140	M82-G84 PolarHBondContact O-N 2.92Å; G84-I140 WeakPolarHBondContact O-CD1 3.45Å
85	V	81.5	Confident	85.9	Confident	123 Å²	123	59.6 Å²	59.6	75%	0.745	35%	0.35	S	S	*	.	S	Bend	trans	-77.1	155.4	175.8	-172.2	0	0	0	0	109.8	K87	V85-K87 PolarHBondContact O-N 2.87Å
86	A	85.6	Confident	85.5	Confident	13 Å²	13	61.9 Å²	61.9	11%	0.107	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-51.1	136.3	173.6	0	0	0	0	0	111.3	R72 V74 P139 I140	R72-A86 HydrophobicContact CB-CB 4.23Å; V74-A86 HydrophobicContact CG2-CB 4.24Å; A86-P139 HydrophobicContact CB-CB 4.1Å; A86-P139 HydrophobicContact CB-CG 3.4Å; A86-I140 HydrophobicContact CB-CG1 4.19Å
87	K	84.1	Confident	85	Confident	100 Å²	100	67 Å²	67	44%	0.435	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-82.5	139.6	-172.1	-62.2	-72	-178	172.3	0	110.5	V73 I75 V85 V92	V73-K87 PolarHBondContact N-O 2.87Å; V73-K87 PolarHBondContact O-N 3.44Å; I75-K87 HydrophobicContact CD1-CB 4.38Å; I75-K87 HydrophobicContact CD1-CG 4.05Å; V85-K87 PolarHBondContact O-N 2.87Å; K87-V92 HydrophobicContact CB-CG1 4.06Å; K87-V92 HydrophobicContact CB-CG2 4.01Å
88	G	75.5	Confident	84.9	Confident	28 Å²	28	65.3 Å²	65.3	29%	0.289	40%	0.398	S	S	.	.			trans	139.2	166.6	175.3	0	0	0	0	0	111.3
89	P	82.8	Confident	85.1	Confident	56 Å²	56	62.4 Å²	62.4	36%	0.364	38%	0.383	S	S	.	.	S	Bend	cis	-85.8	168.3	-2.5	37.7	-38.9	0	0	0	113.3	E69	E69-P89 WeakPolarHBondContact OE1-CG 3.46Å; E69-P89 VanDerWaalsContact OE2-CB 3.31Å; E69-P89 WeakPolarHBondContact OE2-CB 3.42Å; E69-P89 WeakPolarHBondContact OE2-CG 3.49Å
90	G	91	Very high	85.3	Confident	28 Å²	28	63.3 Å²	63.3	29%	0.289	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.1	-149.9	177.2	0	0	0	0	0	114.6	I67 V92	I67-G90 PolarHBondContact N-O 3.44Å; I67-G90 PolarHBondContact O-N 3.36Å; G90-V92 PolarHBondContact O-N 3.5Å
91	L	89	Confident	85.5	Confident	123 Å²	123	60.9 Å²	60.9	64%	0.644	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	120	-178.5	-79.9	156.2	0	0	0	110.5	L64 V66	L64-L91 HydrophobicContact CB-CD2 4.16Å; L64-L91 HydrophobicContact CD2-CD2 4.49Å; V66-L91 HydrophobicContact CG2-CD2 3.76Å; V66-L91 HydrophobicContact CG2-CG 4.28Å
92	V	89.7	Confident	85.7	Confident	15 Å²	15	65 Å²	65	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.3	173.4	173.1	0	0	0	0	109.2	K65 I67 I75 K87 G90 I94	K65-V92 PolarHBondContact N-O 3.46Å; K65-V92 PolarHBondContact O-N 3Å; I67-V92 HydrophobicContact CD1-CB 3.59Å; I67-V92 HydrophobicContact CD1-CG1 4.22Å; I67-V92 HydrophobicContact CD1-CG2 3.41Å; I67-V92 VanDerWaalsContact CD1-CG2 3.41Å; I75-V92 HydrophobicContact CD1-CG1 3.8Å; K87-V92 HydrophobicContact CB-CG1 4.06Å; K87-V92 HydrophobicContact CB-CG2 4.01Å; G90-V92 PolarHBondContact O-N 3.5Å; V92-I94 HydrophobicContact CG1-CG1 4.1Å
93	F	88.2	Confident	86.1	Confident	76 Å²	76	67.1 Å²	67.1	33%	0.333	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.6	177.9	-174.2	-95.6	0	0	0	109.6	W49 V52 C63 L64 M95	W49-F93 HydrophobicContact CH2-CE1 4.35Å; V52-F93 HydrophobicContact CG1-CZ 4.36Å; C63-F93 HydrophobicContact CB-CD2 3.74Å; C63-F93 HydrophobicContact CB-CE2 3.31Å; C63-F93 HydrophobicContact CB-CZ 3.87Å; L64-F93 HydrophobicContact CD2-CD2 4.19Å; F93-M95 HydrophobicContact CE1-CE 3.7Å; F93-M95 HydrophobicContact CE1-SD 4.19Å; F93-M95 HydrophobicContact CZ-CE 4.09Å; F93-M95 HydrophobicContact CZ-SD 4.27Å
94	I	89	Confident	86.8	Confident	14 Å²	14	62.1 Å²	62.1	7%	0.072	35%	0.352	C	S	.	.			trans	-123.2	124	-179.3	-56.8	174.2	0	0	0	107.3	C63 K65 I75 V92 D99 Y101	C63-I94 VanDerWaalsContact CA-O 3.3Å; C63-I94 WeakPolarHBondContact CA-O 3.49Å; C63-I94 PolarHBondContact O-N 2.92Å; K65-I94 HydrophobicContact CB-CD1 4.15Å; K65-I94 HydrophobicContact CD-CD1 4.46Å; I75-I94 HydrophobicContact CD1-CG1 4.43Å; V92-I94 HydrophobicContact CG1-CG1 4.1Å; I94-D99 HydrophobicContact CG2-CB 3.82Å; I94-Y101 HydrophobicContact CD1-CD1 3.84Å; I94-Y101 HydrophobicContact CD1-CD2 4.19Å; I94-Y101 HydrophobicContact CD1-CE1 4.21Å; I94-Y101 HydrophobicContact CD1-CG 3.84Å; I94-Y101 HydrophobicContact CG2-CD1 3.81Å; I94-Y101 HydrophobicContact CG2-CE1 4.39Å
95	M	85.5	Confident	87.5	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.02	34%	0.34	C	S	.	.			trans	-77	123.2	-177.8	-164.1	65.4	82.4	0	0	111.1	S48 W49 V52 F93 D99	S48-M95 WeakPolarHBondContact OG-CG 3.41Å; S48-M95 PolarHBondContact OG-SD 3.22Å; W49-M95 HydrophobicContact CD2-CE 3.86Å; W49-M95 HydrophobicContact CE3-CE 4.45Å; W49-M95 HydrophobicContact CG-CE 3.95Å; W49-M95 HydrophobicContact CZ2-CE 4.47Å; V52-M95 HydrophobicContact CB-SD 4.18Å; V52-M95 HydrophobicContact CG2-CE 4.4Å; V52-M95 HydrophobicContact CG2-SD 3.33Å; V52-M95 WeakPolarHBondContact CG2-SD 3.25Å; F93-M95 HydrophobicContact CE1-CE 3.7Å; F93-M95 HydrophobicContact CE1-SD 4.19Å; F93-M95 HydrophobicContact CZ-CE 4.09Å; F93-M95 HydrophobicContact CZ-SD 4.27Å; M95-D99 HydrophobicContact CB-CB 4.24Å; M95-D99 VanDerWaalsContact CB-OD2 3.24Å; M95-D99 WeakPolarHBondContact CB-OD2 3.21Å; M95-D99 PolarHBondContact N-OD2 3.45Å; M95-D99 WeakPolarHBondContact O-CB 3.46Å; M95-D99 PolarHBondContact O-N 3.18Å
96	P	81.6	Confident	88.1	Confident	56 Å²	56	58.4 Å²	58.4	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	144.2	171.9	27.1	-33.7	0	0	0	109.5	V52 C63 I98	V52-P96 HydrophobicContact CG2-CG 4.49Å; C63-P96 WeakPolarHBondContact SG-CD 3.44Å; P96-I98 VanDerWaalsContact C-N 3.3Å; P96-I98 PolarHBondContact O-N 3.06Å; P96-I98 VanDerWaalsContact O-N 3.16Å
97	C	81.3	Confident	88.6	Confident	140 Å²	140	64.1 Å²	64.1	95%	0.946	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-38.6	-178.7	-49	0	0	0	0	117
98	I	87.2	Confident	89.3	Confident	21 Å²	21	63.1 Å²	63.1	11%	0.108	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-40.1	-173.7	-63	-167	0	0	0	113.1	L44 R77 L78 P96	L44-I98 HydrophobicContact CB-CD1 4.46Å; L44-I98 WeakPolarHBondContact O-CD1 3.34Å; R77-I98 HydrophobicContact CG-CG2 3.82Å; L78-I98 HydrophobicContact CD1-CG2 4.44Å; L78-I98 HydrophobicContact CD2-CG2 3.69Å; L78-I98 HydrophobicContact CG-CG2 3.6Å; L78-I98 PolarHBondContact N-O 3.13Å; P96-I98 VanDerWaalsContact C-N 3.3Å; P96-I98 PolarHBondContact O-N 3.06Å; P96-I98 VanDerWaalsContact O-N 3.16Å
99	D	90.6	Very high	90.2	Very high	14 Å²	14	64.7 Å²	64.7	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.6	-172.6	-67.6	-16.4	0	0	0	109.7	I75 F76 R77 I94 M95	I75-D99 HydrophobicContact CG2-CB 3.9Å; F76-D99 WeakPolarHBondContact O-CA 3.37Å; R77-D99 WeakPolarHBondContact CB-OD1 3.39Å; R77-D99 IonicContact CZ-OD1 2.61Å; R77-D99 IonicContact CZ-OD2 2.84Å; R77-D99 IonicContact NE-OD1 3.23Å; R77-D99 PolarHBondContact NE-OD1 2.86Å; R77-D99 IonicContact NE-OD2 3.21Å; R77-D99 IonicContact NH2-OD1 2.69Å; R77-D99 PolarHBondContact NH2-OD1 3.47Å; R77-D99 IonicContact NH2-OD2 2.93Å; R77-D99 PolarHBondContact NH2-OD2 3.14Å; I94-D99 HydrophobicContact CG2-CB 3.82Å; M95-D99 HydrophobicContact CB-CB 4.24Å; M95-D99 VanDerWaalsContact CB-OD2 3.24Å; M95-D99 WeakPolarHBondContact CB-OD2 3.21Å; M95-D99 PolarHBondContact N-OD2 3.45Å; M95-D99 WeakPolarHBondContact O-CB 3.46Å; M95-D99 PolarHBondContact O-N 3.18Å
100	T	90	Very high	90.9	Very high	88 Å²	88	65.9 Å²	65.9	54%	0.54	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.5	166.3	-60	0	0	0	0	108.2	F76	F76-T100 PolarHBondContact N-O 3.45Å; F76-T100 PolarHBondContact O-N 3.29Å
101	Y	90.9	Very high	91.1	Very high	85 Å²	85	66.7 Å²	66.7	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.7	-177.9	70.7	-86.7	0	0	0	111.7	K65 V73 V74 I94 K103	K65-Y101 HydrophobicContact CD-CE2 4.45Å; K65-Y101 VanDerWaalsContact CE-OH 3.26Å; K65-Y101 WeakPolarHBondContact CE-OH 3.36Å; V73-Y101 HydrophobicContact CG1-CD2 3.97Å; V73-Y101 HydrophobicContact CG1-CG 4.17Å; V74-Y101 CarbonylContact O-C 3.57Å; V74-Y101 VanDerWaalsContact O-CA 3.3Å; V74-Y101 WeakPolarHBondContact O-CA 3.27Å; I94-Y101 HydrophobicContact CD1-CD1 3.84Å; I94-Y101 HydrophobicContact CD1-CD2 4.19Å; I94-Y101 HydrophobicContact CD1-CE1 4.21Å; I94-Y101 HydrophobicContact CD1-CG 3.84Å; I94-Y101 HydrophobicContact CG2-CD1 3.81Å; I94-Y101 HydrophobicContact CG2-CE1 4.39Å; Y101-K103 HydrophobicContact CD2-CG 4.15Å; Y101-K103 HydrophobicContact CE2-CD 4.36Å; Y101-K103 HydrophobicContact CE2-CG 4.05Å
102	R	92.3	Very high	91.5	Very high	154 Å²	154	64 Å²	64	58%	0.581	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.4	173.3	-67.3	-64.2	-169.6	179.7	2.6	109.1	V73 V74 F76 V143	V73-R102 WeakPolarHBondContact CA-O 3.37Å; V74-R102 PolarHBondContact N-O 3.46Å; V74-R102 PolarHBondContact O-N 2.96Å; F76-R102 HydrophobicContact CE2-CG 4.22Å; R102-V143 HydrophobicContact CB-CG2 4.38Å; R102-V143 HydrophobicContact CG-CG1 4.24Å
103	K	92.7	Very high	91.8	Very high	95 Å²	95	63.6 Å²	63.6	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.4	174	-69.6	-176.9	164.2	-142.9	0	109.2	E71 V73 Y101	E71-K103 IonicContact OE2-NZ 2.85Å; E71-K103 PolarHBondContact OE2-NZ 3.4Å; V73-K103 HydrophobicContact CG2-CG 3.87Å; Y101-K103 HydrophobicContact CD2-CG 4.15Å; Y101-K103 HydrophobicContact CE2-CD 4.36Å; Y101-K103 HydrophobicContact CE2-CG 4.05Å
104	I	93.7	Very high	92.1	Very high	20 Å²	20	62.4 Å²	62.4	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.6	-178.1	-60	163.9	0	0	0	107.9	E71 R72 V74 T136 P139 V143	E71-I104 CarbonylContact C-O 3.5Å; E71-I104 WeakPolarHBondContact CA-O 3.36Å; R72-I104 PolarHBondContact N-O 3.43Å; R72-I104 PolarHBondContact O-N 3.13Å; V74-I104 HydrophobicContact CG2-CD1 3.63Å; I104-T136 HydrophobicContact CG2-CG2 3.84Å; I104-P139 HydrophobicContact CB-CB 4.29Å; I104-P139 HydrophobicContact CD1-CB 3.49Å; I104-P139 VanDerWaalsContact CD1-CB 3.49Å; I104-P139 WeakPolarHBondContact CD1-O 3.36Å; I104-P139 HydrophobicContact CG2-CB 4.27Å; I104-V143 HydrophobicContact CD1-CG2 3.41Å; I104-V143 VanDerWaalsContact CD1-CG2 3.41Å; I104-V143 HydrophobicContact CG1-CG2 4.16Å
105	D	94.9	Very high	92.5	Very high	53 Å²	53	64.9 Å²	64.9	28%	0.283	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.9	175.2	-159.8	-27.3	0	0	0	109.6	R107 T136	D105-R107 VanDerWaalsContact OD1-CB 3.26Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 WeakPolarHBondContact OD1-CG 3.16Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-R107 IonicContact OD1-NE 2.81Å; D105-R107 PolarHBondContact OD1-NE 3.38Å; D105-R107 IonicContact OD2-CZ 3.81Å; D105-R107 VanDerWaalsContact OD2-CZ 3.23Å; D105-R107 IonicContact OD2-NE 2.87Å; D105-R107 PolarHBondContact OD2-NE 3.27Å; D105-R107 IonicContact OD2-NH2 2.65Å; D105-R107 PolarHBondContact OD2-NH2 3.01Å; D105-T136 PolarHBondContact O-OG1 3.09Å
106	L	94.9	Very high	92.9	Very high	44 Å²	44	65.1 Å²	65.1	23%	0.23	36%	0.355	C	S	.	.			trans	-92.4	-3.8	177.2	-61.5	-177.4	0	0	0	113	Y70 R72 T136	Y70-L106 PolarHBondContact O-N 2.72Å; R72-L106 HydrophobicContact CG-CD1 3.49Å; R72-L106 VanDerWaalsContact CG-CD1 3.49Å; R72-L106 HydrophobicContact CG-CD2 4.09Å; R72-L106 HydrophobicContact CG-CG 3.9Å; L106-T136 WeakPolarHBondContact CD2-O 3.44Å
107	R	96.8	Very high	93.5	Very high	133 Å²	133	70.6 Å²	70.6	50%	0.502	38%	0.376	S	S	.	.	S	Bend	trans	-71.3	154.1	-179.4	-65.7	177.6	-65.3	167.8	3	111.6	Y70 D105 V109	Y70-R107 HydrophobicContact CG-CG 4.43Å; D105-R107 VanDerWaalsContact OD1-CB 3.26Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 WeakPolarHBondContact OD1-CG 3.16Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-R107 IonicContact OD1-NE 2.81Å; D105-R107 PolarHBondContact OD1-NE 3.38Å; D105-R107 IonicContact OD2-CZ 3.81Å; D105-R107 VanDerWaalsContact OD2-CZ 3.23Å; D105-R107 IonicContact OD2-NE 2.87Å; D105-R107 PolarHBondContact OD2-NE 3.27Å; D105-R107 IonicContact OD2-NH2 2.65Å; D105-R107 PolarHBondContact OD2-NH2 3.01Å; R107-V109 PolarHBondContact O-N 3.5Å
108	V	97.1	Very high	94.2	Very high	78 Å²	78	64.6 Å²	64.6	47%	0.473	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66.3	126.4	173.4	-179.4	0	0	0	0	109.6	Y133 F134 R135 E200	V108-Y133 HydrophobicContact CG1-CD1 4.29Å; V108-F134 WeakPolarHBondContact CA-O 3.44Å; V108-R135 HydrophobicContact CG2-CB 4.18Å; V108-R135 HydrophobicContact CG2-CG 4.47Å; V108-E200 HydrophobicContact CG2-CG 4.33Å
109	V	95.7	Very high	94.5	Very high	61 Å²	61	68.3 Å²	68.3	37%	0.37	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.5	173.3	179.5	0	0	0	0	108.1	R107 F134	R107-V109 PolarHBondContact O-N 3.5Å; V109-F134 HydrophobicContact CG1-CZ 4.49Å; V109-F134 PolarHBondContact N-O 3.08Å; V109-F134 PolarHBondContact O-N 2.99Å; V109-F134 VanDerWaalsContact O-N 3.13Å
110	S	96.2	Very high	94.7	Very high	81 Å²	81	67.9 Å²	67.9	57%	0.566	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.6	169.4	52.8	0	0	0	0	109.7
111	Y	96.5	Very high	94.9	Very high	45 Å²	45	70.4 Å²	70.4	18%	0.176	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.9	174.2	174.9	-114	0	0	0	110.2	V113 P114 V131 V132 K154 Q158	Y111-V113 HydrophobicContact CD1-CG2 3.96Å; Y111-V113 HydrophobicContact CE1-CB 4.43Å; Y111-V113 HydrophobicContact CE1-CG2 3.96Å; Y111-V113 PolarHBondContact O-N 2.91Å; Y111-P114 WeakPolarHBondContact OH-CD 3.15Å; Y111-V131 WeakPolarHBondContact O-CA 3.21Å; Y111-V132 PolarHBondContact N-O 3.38Å; Y111-V132 PolarHBondContact O-N 3.11Å; Y111-K154 HydrophobicContact CD1-CB 4.1Å; Y111-K154 HydrophobicContact CD1-CD 4.44Å; Y111-K154 HydrophobicContact CD1-CG 3.62Å; Y111-K154 HydrophobicContact CD2-CD 3.76Å; Y111-K154 VanDerWaalsContact CD2-CE 3.47Å; Y111-K154 HydrophobicContact CD2-CG 3.83Å; Y111-K154 HydrophobicContact CE1-CB 3.56Å; Y111-K154 HydrophobicContact CE1-CD 4.25Å; Y111-K154 HydrophobicContact CE1-CG 3.53Å; Y111-K154 HydrophobicContact CE2-CB 4.33Å; Y111-K154 HydrophobicContact CE2-CD 3.56Å; Y111-K154 HydrophobicContact CE2-CG 3.78Å; Y111-K154 HydrophobicContact CG-CD 4.2Å; Y111-K154 HydrophobicContact CG-CG 3.75Å; Y111-Q158 PolarHBondContact OH-NE2 3.15Å
112	A	97.3	Very high	95.1	Very high	68 Å²	68	69.5 Å²	69.5	56%	0.562	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	111.6	170.3	0	0	0	0	0	109.2
113	V	95.4	Very high	95.1	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.03	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	126.9	174	-175.8	0	0	0	0	107.5	Y111 A130 V132 A157 Q158 L161	Y111-V113 HydrophobicContact CD1-CG2 3.96Å; Y111-V113 HydrophobicContact CE1-CB 4.43Å; Y111-V113 HydrophobicContact CE1-CG2 3.96Å; Y111-V113 PolarHBondContact O-N 2.91Å; V113-A130 HydrophobicContact CB-CB 4.43Å; V113-A130 WeakPolarHBondContact CB-O 3.44Å; V113-A130 PolarHBondContact N-O 3.36Å; V113-V132 HydrophobicContact CG2-CG2 3.8Å; V113-A157 HydrophobicContact CG2-CB 4.28Å; V113-Q158 HydrophobicContact CG1-CG 3.7Å; V113-L161 HydrophobicContact CB-CD2 4.5Å; V113-L161 HydrophobicContact CG1-CD2 4.01Å
114	P	95.6	Very high	95.1	Very high	51 Å²	51	63.1 Å²	63.1	33%	0.331	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	152.9	178.4	26.9	-34.5	0	0	0	110.3	Y111 Q116 Q158	Y111-P114 WeakPolarHBondContact OH-CD 3.15Å; P114-Q116 PolarHBondContact O-N 3.47Å; P114-Q116 PolarHBondContact O-NE2 3.38Å; P114-Q158 VanDerWaalsContact CD-NE2 3.33Å; P114-Q158 HydrophobicContact CG-CG 4.39Å
115	P	95.6	Very high	95.1	Very high	67 Å²	67	66.2 Å²	66.2	44%	0.435	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	130.4	-179.6	-25.7	33.6	0	0	0	112.7	V128 D129 R208	P115-V128 CarbonylContact C-O 3.31Å; P115-V128 WeakPolarHBondContact CA-O 3.45Å; P115-D129 HydrophobicContact CB-CB 4.49Å; P115-D129 HydrophobicContact CG-CB 4.22Å; P115-R208 VanDerWaalsContact CG-NH2 3.35Å
116	Q	94.5	Very high	95.1	Very high	9 Å²	9	63.9 Å²	63.9	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.6	176.2	-59.9	-56.6	-59.6	0	0	109.2	P114 I118 S127 V128 L161	P114-Q116 PolarHBondContact O-N 3.47Å; P114-Q116 PolarHBondContact O-NE2 3.38Å; Q116-I118 HydrophobicContact CB-CG2 4.22Å; Q116-S127 WeakPolarHBondContact O-CA 3.05Å; Q116-V128 PolarHBondContact N-O 3.21Å; Q116-V128 PolarHBondContact O-N 2.84Å; Q116-L161 HydrophobicContact CG-CD2 4.25Å
117	E	95.2	Very high	95.1	Very high	170 Å²	170	62.7 Å²	62.7	79%	0.794	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.2	169.5	-67.6	-177.3	-179.3	0	0	109.1
118	I	94.3	Very high	95	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.077	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.2	-175.2	60.5	120.1	0	0	0	110.9	Q116 T125 V126 R162 L165 M173	Q116-I118 HydrophobicContact CB-CG2 4.22Å; I118-T125 WeakPolarHBondContact O-CA 3.35Å; I118-V126 HydrophobicContact CD1-CG2 3.81Å; I118-V126 HydrophobicContact CG1-CG2 3.84Å; I118-V126 PolarHBondContact N-O 2.86Å; I118-V126 PolarHBondContact O-N 2.93Å; I118-R162 HydrophobicContact CG2-CB 4.25Å; I118-R162 HydrophobicContact CG2-CG 3.7Å; I118-L165 HydrophobicContact CD1-CB 3.48Å; I118-L165 VanDerWaalsContact CD1-CB 3.48Å; I118-L165 HydrophobicContact CG1-CB 4.31Å; I118-M173 HydrophobicContact CD1-CE 3.78Å
119	L	95	Very high	94.9	Very high	98 Å²	98	53.2 Å²	53.2	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.3	168.8	-167.9	71	0	0	0	108.1	S123 T125	L119-S123 WeakPolarHBondContact CD1-O 3.49Å; L119-T125 HydrophobicContact CD1-CG2 3.94Å
120	S	93.9	Very high	94.9	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.035	29%	0.289	C	S	.	.			trans	-72.7	170.5	174.3	63.1	0	0	0	0	111.4	D122 S123 V124	S120-D122 WeakPolarHBondContact CB-OD1 3.45Å; S120-D122 PolarHBondContact O-N 2.98Å; S120-D122 PolarHBondContact OG-OD1 2.51Å; S120-S123 PolarHBondContact O-N 3.44Å; S120-V124 PolarHBondContact N-O 3.19Å; S120-V124 WeakPolarHBondContact OG-CB 3.31Å; S120-V124 PolarHBondContact OG-N 3.02Å; S120-V124 PolarHBondContact OG-O 2.99Å
121	K	94.7	Very high	95	Very high	142 Å²	142	47.7 Å²	47.7	62%	0.617	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.1	179.3	-176.5	176.4	175.7	-175.2	0	113.6	S123 K168 T169	K121-S123 PolarHBondContact O-N 3.45Å; K121-K168 WeakPolarHBondContact CB-O 3.43Å; K121-K168 PolarHBondContact N-O 3.33Å; K121-T169 HydrophobicContact CB-CG2 4.19Å; K121-T169 HydrophobicContact CD-CG2 4.06Å; K121-T169 HydrophobicContact CG-CG2 4.38Å
122	D	94	Very high	95.1	Very high	66 Å²	66	45.8 Å²	45.8	35%	0.353	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	14.3	175.7	55.8	-42.6	0	0	0	113.5	S120 V124 L170	S120-D122 WeakPolarHBondContact CB-OD1 3.45Å; S120-D122 PolarHBondContact O-N 2.98Å; S120-D122 PolarHBondContact OG-OD1 2.51Å; D122-V124 VanDerWaalsContact C-N 3.26Å; D122-V124 PolarHBondContact O-N 3.42Å; D122-V124 WeakPolarHBondContact OD2-CG2 3.28Å; D122-L170 PolarHBondContact OD1-N 3.29Å; D122-L170 WeakPolarHBondContact OD2-CB 3.48Å
123	S	92.8	Very high	95.1	Very high	93 Å²	93	45.5 Å²	45.5	65%	0.65	25%	0.247	S	C	*	.	S	Bend	trans	62.1	31.2	178.1	-52.4	0	0	0	0	113.7	L119 S120 K121	L119-S123 WeakPolarHBondContact CD1-O 3.49Å; S120-S123 PolarHBondContact O-N 3.44Å; K121-S123 PolarHBondContact O-N 3.45Å
124	V	92.9	Very high	95.2	Very high	21 Å²	21	45.5 Å²	45.5	13%	0.127	25%	0.246	C	C	.	.			trans	-101.9	133.7	174.4	178.9	0	0	0	0	109.5	S120 D122 V126 L170 L213	S120-V124 PolarHBondContact N-O 3.19Å; S120-V124 WeakPolarHBondContact OG-CB 3.31Å; S120-V124 PolarHBondContact OG-N 3.02Å; S120-V124 PolarHBondContact OG-O 2.99Å; D122-V124 VanDerWaalsContact C-N 3.26Å; D122-V124 PolarHBondContact O-N 3.42Å; D122-V124 WeakPolarHBondContact OD2-CG2 3.28Å; V124-V126 HydrophobicContact CG1-CG1 4.08Å; V124-L170 HydrophobicContact CG1-CD2 4.45Å; V124-L213 HydrophobicContact CB-CD1 4.46Å; V124-L213 HydrophobicContact CG1-CD1 3.53Å; V124-L213 HydrophobicContact CG1-CD2 4.45Å; V124-L213 HydrophobicContact CG2-CD1 4.08Å
125	T	94.4	Very high	95.3	Very high	86 Å²	86	46.7 Å²	46.7	53%	0.528	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.2	173.4	51.2	0	0	0	0	109.7	I118 L119 P210	I118-T125 WeakPolarHBondContact O-CA 3.35Å; L119-T125 HydrophobicContact CD1-CG2 3.94Å; T125-P210 WeakPolarHBondContact O-CD 3.02Å
126	V	94.1	Very high	95.3	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.7	178.3	-64.3	0	0	0	0	110.3	I118 V124 V128 L170 M173	I118-V126 HydrophobicContact CD1-CG2 3.81Å; I118-V126 HydrophobicContact CG1-CG2 3.84Å; I118-V126 PolarHBondContact N-O 2.86Å; I118-V126 PolarHBondContact O-N 2.93Å; V124-V126 HydrophobicContact CG1-CG1 4.08Å; V126-V128 HydrophobicContact CG2-CG2 4.18Å; V126-L170 HydrophobicContact CG1-CD1 3.87Å; V126-M173 HydrophobicContact CG2-CE 4.38Å; V126-M173 HydrophobicContact CG2-SD 3.91Å
127	S	95.1	Very high	95.3	Very high	18 Å²	18	47 Å²	47	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.9	174.4	-178.1	0	0	0	0	108.9	Q116 R208	Q116-S127 WeakPolarHBondContact O-CA 3.05Å; S127-R208 PolarHBondContact N-O 3.36Å; S127-R208 PolarHBondContact O-N 2.84Å; S127-R208 PolarHBondContact OG-NH2 3.18Å
128	V	95.1	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.6	-176.1	-176.1	0	0	0	0	110.4	P115 Q116 V126 L165 V204 D206 I207	P115-V128 CarbonylContact C-O 3.31Å; P115-V128 WeakPolarHBondContact CA-O 3.45Å; Q116-V128 PolarHBondContact N-O 3.21Å; Q116-V128 PolarHBondContact O-N 2.84Å; V126-V128 HydrophobicContact CG2-CG2 4.18Å; V128-L165 HydrophobicContact CB-CD1 3.57Å; V128-L165 HydrophobicContact CG1-CD1 3.64Å; V128-L165 HydrophobicContact CG1-CD2 4.34Å; V128-L165 HydrophobicContact CG2-CD1 3.87Å; V128-L165 HydrophobicContact CG2-CD2 4.45Å; V128-V204 HydrophobicContact CG1-CG1 3.83Å; V128-D206 WeakPolarHBondContact CA-O 3.32Å; V128-I207 HydrophobicContact CG1-CG1 4.17Å; V128-I207 HydrophobicContact CG2-CB 4.45Å; V128-I207 HydrophobicContact CG2-CG1 4.15Å; V128-I207 HydrophobicContact CG2-CG2 4.09Å
129	D	94.6	Very high	95.1	Very high	13 Å²	13	42 Å²	42	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.2	168	67	1.2	0	0	0	111.6	P115 K205 D206 R208	P115-D129 HydrophobicContact CB-CB 4.49Å; P115-D129 HydrophobicContact CG-CB 4.22Å; D129-K205 PolarHBondContact O-N 2.85Å; D129-K205 VanDerWaalsContact OD1-CB 3.32Å; D129-K205 WeakPolarHBondContact OD1-CB 3.43Å; D129-K205 IonicContact OD2-NZ 3.85Å; D129-D206 PolarHBondContact N-O 3.01Å; D129-D206 WeakPolarHBondContact OD1-CA 3.38Å; D129-D206 VanDerWaalsContact OD1-CB 3.23Å; D129-D206 WeakPolarHBondContact OD1-CB 3.44Å; D129-D206 PolarHBondContact OD1-N 3.26Å; D129-R208 IonicContact OD2-NH1 2.98Å
130	A	96.4	Very high	95.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	164.7	-175	0	0	0	0	0	111	V113 L161 E203	V113-A130 HydrophobicContact CB-CB 4.43Å; V113-A130 WeakPolarHBondContact CB-O 3.44Å; V113-A130 PolarHBondContact N-O 3.36Å; A130-L161 HydrophobicContact CB-CD1 4.16Å; A130-L161 HydrophobicContact CB-CD2 3.58Å; A130-E203 CarbonylContact C-O 3.58Å; A130-E203 WeakPolarHBondContact CA-O 3.27Å; A130-E203 VanDerWaalsContact CB-O 3.3Å; A130-E203 WeakPolarHBondContact CB-O 3.37Å
131	V	97.5	Very high	95	Very high	25 Å²	25	39 Å²	39	15%	0.152	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.3	174.2	-175.9	0	0	0	0	108.8	Y111 Y133 E203	Y111-V131 WeakPolarHBondContact O-CA 3.21Å; V131-Y133 HydrophobicContact CB-CE2 4.28Å; V131-Y133 HydrophobicContact CG1-CD2 4.34Å; V131-Y133 HydrophobicContact CG1-CE1 4.45Å; V131-Y133 HydrophobicContact CG1-CE2 3.74Å; V131-E203 PolarHBondContact N-O 3.14Å; V131-E203 PolarHBondContact O-N 3.18Å
132	V	97.9	Very high	94.9	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130	175.7	-174.3	0	0	0	0	109	Y111 V113 F134 A157 L188 V199 V202	Y111-V132 PolarHBondContact N-O 3.38Å; Y111-V132 PolarHBondContact O-N 3.11Å; V113-V132 HydrophobicContact CG2-CG2 3.8Å; V132-F134 HydrophobicContact CB-CD1 4.42Å; V132-F134 HydrophobicContact CG1-CD1 3.93Å; V132-A157 HydrophobicContact CG2-CB 3.99Å; V132-L188 HydrophobicContact CG1-CD2 3.66Å; V132-L188 HydrophobicContact CG2-CD2 4.25Å; V132-V199 HydrophobicContact CG1-CG1 3.98Å; V132-V202 HydrophobicContact CG1-CG2 4.28Å; V132-V202 HydrophobicContact CG2-CG1 4.47Å; V132-V202 HydrophobicContact CG2-CG2 4.27Å
133	Y	98	Very high	94.8	Very high	62 Å²	62	31.9 Å²	31.9	24%	0.243	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.5	173.3	-61.7	-90.3	0	0	0	108.4	V108 V131 E200 R201 E203	V108-Y133 HydrophobicContact CG1-CD1 4.29Å; V131-Y133 HydrophobicContact CB-CE2 4.28Å; V131-Y133 HydrophobicContact CG1-CD2 4.34Å; V131-Y133 HydrophobicContact CG1-CE1 4.45Å; V131-Y133 HydrophobicContact CG1-CE2 3.74Å; Y133-E200 PolarHBondContact O-N 3.16Å; Y133-R201 HydrophobicContact CD2-CB 4.14Å; Y133-R201 PolarHBondContact N-O 3.14Å; Y133-R201 PolarHBondContact O-N 3.36Å; Y133-E203 HydrophobicContact CE2-CG 4.26Å
134	F	97.6	Very high	94.8	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.6	-179.6	63.4	-88.9	0	0	0	110.9	V108 V109 V132 I150 T153 I197 K198 V199	V108-F134 WeakPolarHBondContact CA-O 3.44Å; V109-F134 HydrophobicContact CG1-CZ 4.49Å; V109-F134 PolarHBondContact N-O 3.08Å; V109-F134 PolarHBondContact O-N 2.99Å; V109-F134 VanDerWaalsContact O-N 3.13Å; V132-F134 HydrophobicContact CB-CD1 4.42Å; V132-F134 HydrophobicContact CG1-CD1 3.93Å; F134-I150 HydrophobicContact CE2-CG1 4.42Å; F134-I150 HydrophobicContact CE2-CG2 4.28Å; F134-I150 HydrophobicContact CZ-CG2 4.1Å; F134-T153 HydrophobicContact CD1-CG2 4.3Å; F134-T153 HydrophobicContact CD2-CG2 4.39Å; F134-T153 HydrophobicContact CE1-CG2 4.36Å; F134-T153 HydrophobicContact CE2-CG2 4.46Å; F134-T153 HydrophobicContact CG-CG2 4.3Å; F134-T153 HydrophobicContact CZ-CG2 4.44Å; F134-I197 HydrophobicContact CB-CG2 3.97Å; F134-I197 HydrophobicContact CD2-CG2 3.78Å; F134-I197 HydrophobicContact CG-CG2 4.2Å; F134-K198 CarbonylContact C-O 3.48Å; F134-K198 VanDerWaalsContact CA-O 3.25Å; F134-K198 WeakPolarHBondContact CA-O 3.39Å; F134-K198 WeakPolarHBondContact CB-O 3.06Å; F134-V199 HydrophobicContact CB-CG2 4.44Å
135	R	97	Very high	94.8	Very high	77 Å²	77	35.7 Å²	35.7	29%	0.291	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.1	174.9	61.6	173.9	175.5	79.4	11.6	111	V108 S137 K198 E200	V108-R135 HydrophobicContact CG2-CB 4.18Å; V108-R135 HydrophobicContact CG2-CG 4.47Å; R135-S137 PolarHBondContact O-N 3.15Å; R135-K198 HydrophobicContact CG-CB 4.39Å; R135-K198 PolarHBondContact N-O 3.44Å; R135-K198 PolarHBondContact O-N 2.89Å; R135-E200 HydrophobicContact CG-CG 4.36Å; R135-E200 IonicContact CZ-OE1 3.75Å; R135-E200 VanDerWaalsContact CZ-OE1 3.23Å; R135-E200 IonicContact NE-OE1 3.77Å; R135-E200 PolarHBondContact NE-OE1 2.85Å; R135-E200 IonicContact NH2-OE1 3.55Å; R135-E200 PolarHBondContact NH2-OE1 2.82Å
136	T	96	Very high	94.6	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.7	170.1	-42	0	0	0	0	109.2	I104 D105 L106 A142	I104-T136 HydrophobicContact CG2-CG2 3.84Å; D105-T136 PolarHBondContact O-OG1 3.09Å; L106-T136 WeakPolarHBondContact CD2-O 3.44Å; T136-A142 HydrophobicContact CG2-CB 3.63Å
137	S	94	Very high	94.5	Very high	68 Å²	68	40.8 Å²	40.8	48%	0.476	22%	0.222	S	C	.	.	S	Bend	trans	-91.3	-50.1	174.9	-167.9	0	0	0	0	111	R135 P139 G196	R135-S137 PolarHBondContact O-N 3.15Å; S137-P139 WeakPolarHBondContact O-CD 3.38Å; S137-G196 PolarHBondContact N-O 2.89Å
138	D	93.9	Very high	94.4	Very high	69 Å²	69	43.5 Å²	43.5	37%	0.369	24%	0.235	S	C	.	.			trans	-110.6	102.1	173.7	-175.4	3.6	0	0	0	110.9	I140 A141 A142 G196	D138-I140 PolarHBondContact O-N 3.21Å; D138-I140 WeakPolarHBondContact OD1-CB 3.06Å; D138-I140 PolarHBondContact OD1-N 3.33Å; D138-A141 HydrophobicContact CB-CB 4.03Å; D138-A141 PolarHBondContact O-N 3.1Å; D138-A141 WeakPolarHBondContact OD2-CB 3.18Å; D138-A142 WeakPolarHBondContact O-CB 3.19Å; D138-A142 PolarHBondContact O-N 3.19Å; D138-A142 VanDerWaalsContact O-N 3.14Å; D138-G196 PolarHBondContact N-O 3.36Å
139	P	93.1	Very high	94.3	Very high	12 Å²	12	43.9 Å²	43.9	8%	0.078	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-27.5	177.3	22.9	-33	0	0	0	113.8	R72 V74 A86 I104 S137	R72-P139 HydrophobicContact CB-CB 4.28Å; R72-P139 HydrophobicContact CB-CG 4.12Å; R72-P139 HydrophobicContact CG-CG 4.49Å; V74-P139 HydrophobicContact CG2-CB 4.07Å; V74-P139 WeakPolarHBondContact CG2-O 3.43Å; A86-P139 HydrophobicContact CB-CB 4.1Å; A86-P139 HydrophobicContact CB-CG 3.4Å; I104-P139 HydrophobicContact CB-CB 4.29Å; I104-P139 HydrophobicContact CD1-CB 3.49Å; I104-P139 VanDerWaalsContact CD1-CB 3.49Å; I104-P139 WeakPolarHBondContact CD1-O 3.36Å; I104-P139 HydrophobicContact CG2-CB 4.27Å; S137-P139 WeakPolarHBondContact O-CD 3.38Å
140	I	93.2	Very high	94.2	Very high	30 Å²	30	46.5 Å²	46.5	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-72	-52.1	-179.1	-62.8	175.6	0	0	0	109.4	V74 L81 G84 A86 D138 A142 V143 N144	V74-I140 HydrophobicContact CG2-CG1 4.38Å; L81-I140 HydrophobicContact CD1-CG2 4.27Å; L81-I140 HydrophobicContact CD2-CG2 3.46Å; L81-I140 VanDerWaalsContact CD2-CG2 3.46Å; G84-I140 WeakPolarHBondContact O-CD1 3.45Å; A86-I140 HydrophobicContact CB-CG1 4.19Å; D138-I140 PolarHBondContact O-N 3.21Å; D138-I140 WeakPolarHBondContact OD1-CB 3.06Å; D138-I140 PolarHBondContact OD1-N 3.33Å; I140-A142 VanDerWaalsContact C-N 3.27Å; I140-A142 PolarHBondContact O-N 3.13Å; I140-V143 PolarHBondContact O-N 2.92Å; I140-N144 VanDerWaalsContact O-CB 3.32Å; I140-N144 WeakPolarHBondContact O-CB 3.35Å; I140-N144 PolarHBondContact O-N 3.01Å
141	A	92.6	Very high	94.2	Very high	10 Å²	10	52.8 Å²	52.8	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-40.2	177.4	0	0	0	0	0	112	D138 V143 N144 N145 W195	D138-A141 HydrophobicContact CB-CB 4.03Å; D138-A141 PolarHBondContact O-N 3.1Å; D138-A141 WeakPolarHBondContact OD2-CB 3.18Å; A141-V143 PolarHBondContact O-N 3.24Å; A141-N144 PolarHBondContact O-N 3.41Å; A141-N145 WeakPolarHBondContact O-CB 3.36Å; A141-N145 PolarHBondContact O-N 2.89Å; A141-W195 CarbonylContact C-O 3.56Å
142	A	93.1	Very high	94.1	Very high	11 Å²	11	52.9 Å²	52.9	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-23.2	-179.8	0	0	0	0	0	114.9	T136 D138 I140 A149 W195	T136-A142 HydrophobicContact CG2-CB 3.63Å; D138-A142 WeakPolarHBondContact O-CB 3.19Å; D138-A142 PolarHBondContact O-N 3.19Å; D138-A142 VanDerWaalsContact O-N 3.14Å; I140-A142 VanDerWaalsContact C-N 3.27Å; I140-A142 PolarHBondContact O-N 3.13Å; A142-A149 HydrophobicContact CB-CB 4.1Å; A142-W195 WeakPolarHBondContact CA-O 3.44Å; A142-W195 WeakPolarHBondContact CB-O 3.25Å; A142-W195 PolarHBondContact N-O 2.87Å; A142-W195 VanDerWaalsContact N-O 3.16Å
143	V	92.2	Very high	94	Very high	47 Å²	47	52.8 Å²	52.8	29%	0.285	28%	0.277	S	S	.	.	H	α-helix	trans	-101.7	-30.6	176.6	179.3	0	0	0	0	112.2	F76 R102 I104 I140 A141	F76-V143 HydrophobicContact CE2-CG1 3.81Å; F76-V143 HydrophobicContact CZ-CB 4.42Å; F76-V143 HydrophobicContact CZ-CG1 3.59Å; R102-V143 HydrophobicContact CB-CG2 4.38Å; R102-V143 HydrophobicContact CG-CG1 4.24Å; I104-V143 HydrophobicContact CD1-CG2 3.41Å; I104-V143 VanDerWaalsContact CD1-CG2 3.41Å; I104-V143 HydrophobicContact CG1-CG2 4.16Å; I140-V143 PolarHBondContact O-N 2.92Å; A141-V143 PolarHBondContact O-N 3.24Å
144	N	91.6	Very high	93.9	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-92.5	-32.7	-171	-168.6	65.7	0	0	0	113.6	I140 A141	I140-N144 VanDerWaalsContact O-CB 3.32Å; I140-N144 WeakPolarHBondContact O-CB 3.35Å; I140-N144 PolarHBondContact O-N 3.01Å; A141-N144 PolarHBondContact O-N 3.41Å
145	N	92.4	Very high	93.8	Very high	95 Å²	95	55.8 Å²	55.8	51%	0.508	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-18.9	-170.9	-62.8	-6.1	0	0	0	113	A141 H194	A141-N145 WeakPolarHBondContact O-CB 3.36Å; A141-N145 PolarHBondContact O-N 2.89Å; N145-H194 PolarHBondContact ND2-O 2.93Å
146	V	91.2	Very high	93.8	Very high	23 Å²	23	54.4 Å²	54.4	14%	0.139	29%	0.292	C	S	.	.			trans	-146.9	146.5	-176.8	61.7	0	0	0	0	109.7	A149 S152 W195	V146-A149 VanDerWaalsContact CG1-CA 3.48Å; V146-A149 HydrophobicContact CG1-CB 3.46Å; V146-A149 VanDerWaalsContact CG1-CB 3.46Å; V146-S152 WeakPolarHBondContact CG2-OG 3.42Å; V146-W195 HydrophobicContact CB-CG 4.29Å; V146-W195 HydrophobicContact CG1-CB 4Å; V146-W195 HydrophobicContact CG1-CG 3.94Å
147	D	91.6	Very high	93.8	Very high	173 Å²	173	53.9 Å²	53.9	93%	0.925	29%	0.289	S	S	*	.	S	Bend	trans	-63.7	-50.4	-178.4	-173.2	42.4	0	0	0	111.9
148	D	92.6	Very high	93.9	Very high	76 Å²	76	52.6 Å²	52.6	41%	0.406	28%	0.276	S	S	.	.			trans	-135.8	102.6	170.9	-174.2	-22.1	0	0	0	110.2	I150 Y151 S152	D148-I150 VanDerWaalsContact C-N 3.33Å; D148-I150 PolarHBondContact O-N 3.06Å; D148-I150 PolarHBondContact OD1-N 2.92Å; D148-Y151 PolarHBondContact OD1-N 2.91Å; D148-Y151 WeakPolarHBondContact OD2-CB 3.48Å; D148-S152 VanDerWaalsContact O-CB 3.28Å; D148-S152 WeakPolarHBondContact O-CB 3.1Å; D148-S152 PolarHBondContact O-N 3.32Å; D148-S152 PolarHBondContact O-OG 3.23Å
149	A	93.6	Very high	94	Very high	7 Å²	7	52.7 Å²	52.7	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-38	-179.2	0	0	0	0	0	112.3	A142 V146 T153 W195 I197	A142-A149 HydrophobicContact CB-CB 4.1Å; V146-A149 VanDerWaalsContact CG1-CA 3.48Å; V146-A149 HydrophobicContact CG1-CB 3.46Å; V146-A149 VanDerWaalsContact CG1-CB 3.46Å; A149-T153 VanDerWaalsContact O-CB 3.29Å; A149-T153 WeakPolarHBondContact O-CB 3.29Å; A149-T153 PolarHBondContact O-N 3.45Å; A149-T153 PolarHBondContact O-OG1 3.4Å; A149-W195 HydrophobicContact CB-CB 4.41Å; A149-I197 VanDerWaalsContact C-CD1 3.42Å; A149-I197 HydrophobicContact CB-CD1 3.46Å; A149-I197 VanDerWaalsContact CB-CD1 3.46Å; A149-I197 HydrophobicContact CB-CG1 4.22Å; A149-I197 WeakPolarHBondContact O-CD1 3.44Å
150	I	93.6	Very high	94.1	Very high	68 Å²	68	52.6 Å²	52.6	35%	0.349	28%	0.278	S	S	.	.	H	α-helix	trans	-69.3	-47.6	-178.8	-64	177.1	0	0	0	109.3	F134 D148 T153 K154	F134-I150 HydrophobicContact CE2-CG1 4.42Å; F134-I150 HydrophobicContact CE2-CG2 4.28Å; F134-I150 HydrophobicContact CZ-CG2 4.1Å; D148-I150 VanDerWaalsContact C-N 3.33Å; D148-I150 PolarHBondContact O-N 3.06Å; D148-I150 PolarHBondContact OD1-N 2.92Å; I150-T153 PolarHBondContact O-N 2.95Å; I150-K154 HydrophobicContact CG2-CD 4.48Å; I150-K154 VanDerWaalsContact O-CG 3.27Å; I150-K154 WeakPolarHBondContact O-CG 3.36Å; I150-K154 PolarHBondContact O-N 3Å; I150-K154 VanDerWaalsContact O-N 3.15Å
151	Y	95.4	Very high	94.2	Very high	133 Å²	133	51.4 Å²	51.4	52%	0.522	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-44.4	178.1	-179	-103.4	0	0	0	112.1	D148 T153 K154 L155	D148-Y151 PolarHBondContact OD1-N 2.91Å; D148-Y151 WeakPolarHBondContact OD2-CB 3.48Å; Y151-T153 VanDerWaalsContact C-N 3.33Å; Y151-T153 PolarHBondContact O-N 3.32Å; Y151-K154 WeakPolarHBondContact O-CB 3.4Å; Y151-K154 PolarHBondContact O-N 3Å; Y151-K154 VanDerWaalsContact O-N 3.12Å; Y151-L155 HydrophobicContact CD1-CD1 4.01Å; Y151-L155 HydrophobicContact CE1-CD1 3.4Å; Y151-L155 VanDerWaalsContact CE1-CD1 3.4Å; Y151-L155 HydrophobicContact CE1-CG 4.14Å; Y151-L155 PolarHBondContact O-N 2.9Å; Y151-L155 VanDerWaalsContact O-N 3.16Å
152	S	95.5	Very high	94.3	Very high	28 Å²	28	56.7 Å²	56.7	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-40.3	178.3	-56.6	0	0	0	0	111.9	V146 D148 K154 L155 L156	V146-S152 WeakPolarHBondContact CG2-OG 3.42Å; D148-S152 VanDerWaalsContact O-CB 3.28Å; D148-S152 WeakPolarHBondContact O-CB 3.1Å; D148-S152 PolarHBondContact O-N 3.32Å; D148-S152 PolarHBondContact O-OG 3.23Å; S152-K154 VanDerWaalsContact C-N 3.31Å; S152-K154 PolarHBondContact O-N 2.95Å; S152-L155 PolarHBondContact O-N 3.21Å; S152-L156 WeakPolarHBondContact O-CB 3.45Å; S152-L156 PolarHBondContact O-N 2.96Å
153	T	95.8	Very high	94.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-38.5	174	-61.1	0	0	0	0	112.4	F134 A149 I150 Y151 L156 A157 T192 I197	F134-T153 HydrophobicContact CD1-CG2 4.3Å; F134-T153 HydrophobicContact CD2-CG2 4.39Å; F134-T153 HydrophobicContact CE1-CG2 4.36Å; F134-T153 HydrophobicContact CE2-CG2 4.46Å; F134-T153 HydrophobicContact CG-CG2 4.3Å; F134-T153 HydrophobicContact CZ-CG2 4.44Å; A149-T153 VanDerWaalsContact O-CB 3.29Å; A149-T153 WeakPolarHBondContact O-CB 3.29Å; A149-T153 PolarHBondContact O-N 3.45Å; A149-T153 PolarHBondContact O-OG1 3.4Å; I150-T153 PolarHBondContact O-N 2.95Å; Y151-T153 VanDerWaalsContact C-N 3.33Å; Y151-T153 PolarHBondContact O-N 3.32Å; T153-L156 PolarHBondContact O-N 3.04Å; T153-A157 VanDerWaalsContact O-CB 3.28Å; T153-A157 WeakPolarHBondContact O-CB 3.43Å; T153-A157 PolarHBondContact O-N 3.21Å; T153-T192 HydrophobicContact CG2-CG2 3.89Å; T153-I197 HydrophobicContact CG2-CG2 4.32Å; T153-I197 WeakPolarHBondContact OG1-CD1 3.34Å
154	K	96	Very high	94.5	Very high	61 Å²	61	59.2 Å²	59.2	27%	0.265	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-42.2	176.4	-67.3	170.1	178.1	173.1	0	112.1	Y111 I150 Y151 S152 Q158	Y111-K154 HydrophobicContact CD1-CB 4.1Å; Y111-K154 HydrophobicContact CD1-CD 4.44Å; Y111-K154 HydrophobicContact CD1-CG 3.62Å; Y111-K154 HydrophobicContact CD2-CD 3.76Å; Y111-K154 VanDerWaalsContact CD2-CE 3.47Å; Y111-K154 HydrophobicContact CD2-CG 3.83Å; Y111-K154 HydrophobicContact CE1-CB 3.56Å; Y111-K154 HydrophobicContact CE1-CD 4.25Å; Y111-K154 HydrophobicContact CE1-CG 3.53Å; Y111-K154 HydrophobicContact CE2-CB 4.33Å; Y111-K154 HydrophobicContact CE2-CD 3.56Å; Y111-K154 HydrophobicContact CE2-CG 3.78Å; Y111-K154 HydrophobicContact CG-CD 4.2Å; Y111-K154 HydrophobicContact CG-CG 3.75Å; I150-K154 HydrophobicContact CG2-CD 4.48Å; I150-K154 VanDerWaalsContact O-CG 3.27Å; I150-K154 WeakPolarHBondContact O-CG 3.36Å; I150-K154 PolarHBondContact O-N 3Å; I150-K154 VanDerWaalsContact O-N 3.15Å; Y151-K154 WeakPolarHBondContact O-CB 3.4Å; Y151-K154 PolarHBondContact O-N 3Å; Y151-K154 VanDerWaalsContact O-N 3.12Å; S152-K154 VanDerWaalsContact C-N 3.31Å; S152-K154 PolarHBondContact O-N 2.95Å; K154-Q158 WeakPolarHBondContact O-CG 3.42Å; K154-Q158 PolarHBondContact O-N 3.04Å; K154-Q158 VanDerWaalsContact O-N 3.16Å
155	L	96.3	Very high	94.6	Very high	70 Å²	70	54.5 Å²	54.5	37%	0.366	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-41.5	177.3	-69.2	177.3	0	0	0	112	Y151 S152 Q158 T159	Y151-L155 HydrophobicContact CD1-CD1 4.01Å; Y151-L155 HydrophobicContact CE1-CD1 3.4Å; Y151-L155 VanDerWaalsContact CE1-CD1 3.4Å; Y151-L155 HydrophobicContact CE1-CG 4.14Å; Y151-L155 PolarHBondContact O-N 2.9Å; Y151-L155 VanDerWaalsContact O-N 3.16Å; S152-L155 PolarHBondContact O-N 3.21Å; L155-Q158 PolarHBondContact O-N 3.42Å; L155-T159 PolarHBondContact O-N 2.76Å; L155-T159 VanDerWaalsContact O-N 3.09Å; L155-T159 PolarHBondContact O-OG1 2.97Å
156	L	96.3	Very high	94.7	Very high	47 Å²	47	51.2 Å²	51.2	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-44.3	175.8	-172.9	60.7	0	0	0	110.4	S152 T153 Q158 T159 T160 L188 T192 W195	S152-L156 WeakPolarHBondContact O-CB 3.45Å; S152-L156 PolarHBondContact O-N 2.96Å; T153-L156 PolarHBondContact O-N 3.04Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.22Å; L156-T159 PolarHBondContact O-N 3.1Å; L156-T159 VanDerWaalsContact O-N 3.12Å; L156-T160 WeakPolarHBondContact O-CB 3.21Å; L156-T160 PolarHBondContact O-N 3.35Å; L156-T160 PolarHBondContact O-OG1 3.03Å; L156-L188 HydrophobicContact CB-CD1 3.99Å; L156-L188 HydrophobicContact CD2-CD1 3.89Å; L156-L188 HydrophobicContact CG-CD1 3.66Å; L156-T192 HydrophobicContact CD2-CG2 4.06Å; L156-W195 HydrophobicContact CB-CH2 4.14Å; L156-W195 HydrophobicContact CB-CZ3 4.21Å; L156-W195 HydrophobicContact CD2-CH2 3.76Å; L156-W195 HydrophobicContact CD2-CZ3 3.81Å
157	A	96.4	Very high	94.8	Very high	2 Å²	2	57 Å²	57	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-56.3	-43.2	175.1	0	0	0	0	0	112.6	V113 V132 T153 L161 L188	V113-A157 HydrophobicContact CG2-CB 4.28Å; V132-A157 HydrophobicContact CG2-CB 3.99Å; T153-A157 VanDerWaalsContact O-CB 3.28Å; T153-A157 WeakPolarHBondContact O-CB 3.43Å; T153-A157 PolarHBondContact O-N 3.21Å; A157-L161 WeakPolarHBondContact O-CB 3.2Å; A157-L161 PolarHBondContact O-N 3.45Å; A157-L188 HydrophobicContact CB-CD1 4.16Å; A157-L188 HydrophobicContact CB-CD2 3.91Å
158	Q	96.2	Very high	95	Very high	42 Å²	42	51 Å²	51	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-44.9	176.1	-73.3	174.1	6.3	0	0	112.1	Y111 V113 P114 K154 L155 L156 R162	Y111-Q158 PolarHBondContact OH-NE2 3.15Å; V113-Q158 HydrophobicContact CG1-CG 3.7Å; P114-Q158 VanDerWaalsContact CD-NE2 3.33Å; P114-Q158 HydrophobicContact CG-CG 4.39Å; K154-Q158 WeakPolarHBondContact O-CG 3.42Å; K154-Q158 PolarHBondContact O-N 3.04Å; K154-Q158 VanDerWaalsContact O-N 3.16Å; L155-Q158 PolarHBondContact O-N 3.42Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.22Å; Q158-R162 VanDerWaalsContact O-CB 3.29Å; Q158-R162 WeakPolarHBondContact O-CB 2.79Å; Q158-R162 PolarHBondContact O-N 2.88Å
159	T	95.4	Very high	95.2	Very high	71 Å²	71	48.9 Å²	48.9	44%	0.436	25%	0.248	S	C	.	.	H	α-helix	trans	-73.5	-43	-175.6	-51.7	0	0	0	0	111.3	L155 L156 R162 N163	L155-T159 PolarHBondContact O-N 2.76Å; L155-T159 VanDerWaalsContact O-N 3.09Å; L155-T159 PolarHBondContact O-OG1 2.97Å; L156-T159 PolarHBondContact O-N 3.1Å; L156-T159 VanDerWaalsContact O-N 3.12Å; T159-R162 PolarHBondContact O-N 3.13Å; T159-N163 WeakPolarHBondContact O-CB 3.21Å; T159-N163 PolarHBondContact O-N 3.02Å; T159-N163 PolarHBondContact O-ND2 3.48Å
160	T	96.1	Very high	95.2	Very high	10 Å²	10	48.9 Å²	48.9	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-45.1	176.1	-57.7	0	0	0	0	111.2	L156 R162 N163 A164 T184 I187	L156-T160 WeakPolarHBondContact O-CB 3.21Å; L156-T160 PolarHBondContact O-N 3.35Å; L156-T160 PolarHBondContact O-OG1 3.03Å; T160-R162 PolarHBondContact O-N 3.49Å; T160-N163 PolarHBondContact O-N 3.22Å; T160-A164 WeakPolarHBondContact O-CB 3.32Å; T160-A164 PolarHBondContact O-N 3.48Å; T160-T184 HydrophobicContact CG2-CG2 4.07Å; T160-I187 HydrophobicContact CG2-CB 3.76Å; T160-I187 HydrophobicContact CG2-CG2 3.52Å
161	L	95.1	Very high	95.2	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-45.9	176.7	-176.3	69	0	0	0	111.4	V113 Q116 A130 A157 N163 A164 L165 T184	V113-L161 HydrophobicContact CB-CD2 4.5Å; V113-L161 HydrophobicContact CG1-CD2 4.01Å; Q116-L161 HydrophobicContact CG-CD2 4.25Å; A130-L161 HydrophobicContact CB-CD1 4.16Å; A130-L161 HydrophobicContact CB-CD2 3.58Å; A157-L161 WeakPolarHBondContact O-CB 3.2Å; A157-L161 PolarHBondContact O-N 3.45Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 3.24Å; L161-A164 PolarHBondContact O-N 2.85Å; L161-L165 HydrophobicContact CD1-CD1 3.88Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CD2-CD1 4.42Å; L161-L165 HydrophobicContact CG-CD1 3.71Å; L161-L165 HydrophobicContact CG-CG 4.38Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 WeakPolarHBondContact O-CD1 3.35Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.41Å; L161-T184 HydrophobicContact CB-CG2 4.46Å; L161-T184 HydrophobicContact CD1-CG2 4.28Å
162	R	95.1	Very high	95.2	Very high	122 Å²	122	46.2 Å²	46.2	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-55.7	-46.9	175.5	172.2	178.5	-54.9	-178.7	5.3	111.9	I118 Q158 T159 T160 G166	I118-R162 HydrophobicContact CG2-CB 4.25Å; I118-R162 HydrophobicContact CG2-CG 3.7Å; Q158-R162 VanDerWaalsContact O-CB 3.29Å; Q158-R162 WeakPolarHBondContact O-CB 2.79Å; Q158-R162 PolarHBondContact O-N 2.88Å; T159-R162 PolarHBondContact O-N 3.13Å; T160-R162 PolarHBondContact O-N 3.49Å; R162-G166 PolarHBondContact O-N 3.35Å
163	N	94.2	Very high	95.1	Very high	99 Å²	99	44.9 Å²	44.9	53%	0.529	24%	0.235	S	C	.	.	H	α-helix	trans	-69.2	-44.9	-178.6	-67.9	-17.3	0	0	0	111.8	T159 T160 L161 L165 G166 M167	T159-N163 WeakPolarHBondContact O-CB 3.21Å; T159-N163 PolarHBondContact O-N 3.02Å; T159-N163 PolarHBondContact O-ND2 3.48Å; T160-N163 PolarHBondContact O-N 3.22Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 3.24Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 2.92Å; N163-G166 PolarHBondContact O-N 3.45Å; N163-M167 WeakPolarHBondContact O-CG 3.26Å; N163-M167 PolarHBondContact O-N 3.34Å
164	A	93.5	Very high	94.9	Very high	11 Å²	11	47.6 Å²	47.6	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-44.3	178.5	0	0	0	0	0	111.5	T160 L161 K168 L183	T160-A164 WeakPolarHBondContact O-CB 3.32Å; T160-A164 PolarHBondContact O-N 3.48Å; L161-A164 PolarHBondContact O-N 2.85Å; A164-K168 WeakPolarHBondContact O-CG 3.45Å; A164-L183 HydrophobicContact CB-CD2 3.89Å
165	L	94	Very high	94.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-43.8	177.2	-67.4	169.7	0	0	0	111.6	I118 V128 L161 N163 M167 K168 M173 I180	I118-L165 HydrophobicContact CD1-CB 3.48Å; I118-L165 VanDerWaalsContact CD1-CB 3.48Å; I118-L165 HydrophobicContact CG1-CB 4.31Å; V128-L165 HydrophobicContact CB-CD1 3.57Å; V128-L165 HydrophobicContact CG1-CD1 3.64Å; V128-L165 HydrophobicContact CG1-CD2 4.34Å; V128-L165 HydrophobicContact CG2-CD1 3.87Å; V128-L165 HydrophobicContact CG2-CD2 4.45Å; L161-L165 HydrophobicContact CD1-CD1 3.88Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CD2-CD1 4.42Å; L161-L165 HydrophobicContact CG-CD1 3.71Å; L161-L165 HydrophobicContact CG-CG 4.38Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 WeakPolarHBondContact O-CD1 3.35Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.41Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 2.92Å; L165-M167 PolarHBondContact O-N 3.45Å; L165-K168 PolarHBondContact O-N 2.95Å; L165-M173 HydrophobicContact CB-CE 3.93Å; L165-M173 HydrophobicContact CD2-CE 4.31Å; L165-M173 HydrophobicContact CD2-CG 4.28Å; L165-M173 HydrophobicContact CD2-SD 4.38Å; L165-M173 WeakPolarHBondContact O-CE 3.42Å; L165-I180 HydrophobicContact CD2-CD1 4.36Å; L165-I180 HydrophobicContact CD2-CG2 3.86Å
166	G	94.4	Very high	94.7	Very high	26 Å²	26	50.6 Å²	50.6	27%	0.268	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-23.1	-179	0	0	0	0	0	114.6	R162 N163	R162-G166 PolarHBondContact O-N 3.35Å; N163-G166 PolarHBondContact O-N 3.45Å
167	M	94.2	Very high	94.6	Very high	146 Å²	146	52.7 Å²	52.7	72%	0.719	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7	178.8	-61.1	-59.8	-73.7	0	0	114.1	N163 L165	N163-M167 WeakPolarHBondContact O-CG 3.26Å; N163-M167 PolarHBondContact O-N 3.34Å; L165-M167 PolarHBondContact O-N 3.45Å
168	K	95.3	Very high	94.6	Very high	46 Å²	46	58.7 Å²	58.7	20%	0.2	31%	0.309	C	S	.	.	S	Bend	trans	-104.3	151.1	-176	-65.1	-70.1	-176.3	171	0	111.5	K121 A164 L165 E172 M173 I180	K121-K168 WeakPolarHBondContact CB-O 3.43Å; K121-K168 PolarHBondContact N-O 3.33Å; A164-K168 WeakPolarHBondContact O-CG 3.45Å; L165-K168 PolarHBondContact O-N 2.95Å; K168-E172 HydrophobicContact CB-CB 4.45Å; K168-E172 HydrophobicContact CD-CB 4.41Å; K168-E172 WeakPolarHBondContact CD-OE2 3.29Å; K168-E172 IonicContact NZ-OE2 3.03Å; K168-M173 HydrophobicContact CB-CE 4.11Å; K168-M173 HydrophobicContact CB-CG 4.05Å; K168-I180 HydrophobicContact CB-CD1 4.24Å; K168-I180 HydrophobicContact CD-CG1 4.43Å; K168-I180 HydrophobicContact CG-CD1 3.98Å; K168-I180 HydrophobicContact CG-CG1 4.09Å
169	T	96.2	Very high	94.5	Very high	32 Å²	32	58.7 Å²	58.7	20%	0.196	32%	0.316	C	S	.	.			trans	-79.4	158.2	172.4	62.7	0	0	0	0	110.6	K121 T171 E172 M173	K121-T169 HydrophobicContact CB-CG2 4.19Å; K121-T169 HydrophobicContact CD-CG2 4.06Å; K121-T169 HydrophobicContact CG-CG2 4.38Å; T169-T171 VanDerWaalsContact C-N 3.28Å; T169-T171 PolarHBondContact O-N 3Å; T169-E172 WeakPolarHBondContact CG2-OE1 3.33Å; T169-E172 PolarHBondContact O-N 2.79Å; T169-E172 WeakPolarHBondContact OG1-CB 3.32Å; T169-E172 WeakPolarHBondContact OG1-CG 3.37Å; T169-E172 PolarHBondContact OG1-N 3Å; T169-E172 PolarHBondContact OG1-OE1 3.11Å; T169-M173 WeakPolarHBondContact O-CG 3.43Å; T169-M173 PolarHBondContact O-N 2.92Å
170	L	94	Very high	94.5	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-54.8	-43.6	176	174.6	62.9	0	0	0	112.6	D122 V124 V126 M173 L174 L209 L213 M217	D122-L170 PolarHBondContact OD1-N 3.29Å; D122-L170 WeakPolarHBondContact OD2-CB 3.48Å; V124-L170 HydrophobicContact CG1-CD2 4.45Å; V126-L170 HydrophobicContact CG1-CD1 3.87Å; L170-M173 WeakPolarHBondContact O-CB 3.32Å; L170-M173 PolarHBondContact O-N 3.39Å; L170-L174 HydrophobicContact CD1-CD1 4.03Å; L170-L174 HydrophobicContact CD1-CG 4.15Å; L170-L174 HydrophobicContact CG-CD1 4.08Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.23Å; L170-L209 HydrophobicContact CD1-CD2 3.55Å; L170-L209 HydrophobicContact CD1-CG 4.34Å; L170-L209 HydrophobicContact CD2-CD2 3.64Å; L170-L209 HydrophobicContact CG-CD2 4.2Å; L170-L213 HydrophobicContact CD2-CD2 4.36Å; L170-M217 HydrophobicContact CD2-CE 4.13Å; L170-M217 HydrophobicContact CD2-SD 3.82Å
171	T	93.4	Very high	94.5	Very high	92 Å²	92	55.4 Å²	55.4	56%	0.564	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-44.6	179.1	-53.5	0	0	0	0	111.4	T169 M173 L174 C175	T169-T171 VanDerWaalsContact C-N 3.28Å; T169-T171 PolarHBondContact O-N 3Å; T171-M173 VanDerWaalsContact C-N 3.32Å; T171-M173 PolarHBondContact O-N 3.4Å; T171-L174 PolarHBondContact O-N 2.95Å; T171-C175 WeakPolarHBondContact O-CB 3.38Å; T171-C175 PolarHBondContact O-N 2.88Å
172	E	95.2	Very high	94.6	Very high	53 Å²	53	61 Å²	61	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-42.5	174	-73.7	161.9	-136.5	0	0	111.2	K168 T169 L174 C175 E176	K168-E172 HydrophobicContact CB-CB 4.45Å; K168-E172 HydrophobicContact CD-CB 4.41Å; K168-E172 WeakPolarHBondContact CD-OE2 3.29Å; K168-E172 IonicContact NZ-OE2 3.03Å; T169-E172 WeakPolarHBondContact CG2-OE1 3.33Å; T169-E172 PolarHBondContact O-N 2.79Å; T169-E172 WeakPolarHBondContact OG1-CB 3.32Å; T169-E172 WeakPolarHBondContact OG1-CG 3.37Å; T169-E172 PolarHBondContact OG1-N 3Å; T169-E172 PolarHBondContact OG1-OE1 3.11Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.25Å; E172-C175 PolarHBondContact O-N 3.02Å; E172-E176 WeakPolarHBondContact O-CA 3.13Å; E172-E176 VanDerWaalsContact O-CB 3.29Å; E172-E176 WeakPolarHBondContact O-CB 3.23Å; E172-E176 PolarHBondContact O-N 3.28Å
173	M	93.9	Very high	94.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-37.8	176.9	-70.4	178.9	-173.9	0	0	113.3	I118 V126 L165 K168 T169 L170 T171 R177 I180 I207	I118-M173 HydrophobicContact CD1-CE 3.78Å; V126-M173 HydrophobicContact CG2-CE 4.38Å; V126-M173 HydrophobicContact CG2-SD 3.91Å; L165-M173 HydrophobicContact CB-CE 3.93Å; L165-M173 HydrophobicContact CD2-CE 4.31Å; L165-M173 HydrophobicContact CD2-CG 4.28Å; L165-M173 HydrophobicContact CD2-SD 4.38Å; L165-M173 WeakPolarHBondContact O-CE 3.42Å; K168-M173 HydrophobicContact CB-CE 4.11Å; K168-M173 HydrophobicContact CB-CG 4.05Å; T169-M173 WeakPolarHBondContact O-CG 3.43Å; T169-M173 PolarHBondContact O-N 2.92Å; L170-M173 WeakPolarHBondContact O-CB 3.32Å; L170-M173 PolarHBondContact O-N 3.39Å; T171-M173 VanDerWaalsContact C-N 3.32Å; T171-M173 PolarHBondContact O-N 3.4Å; M173-R177 WeakPolarHBondContact O-CG 3.49Å; M173-I180 HydrophobicContact CB-CD1 4.28Å; M173-I180 HydrophobicContact CG-CD1 3.98Å; M173-I207 HydrophobicContact CB-CD1 4.09Å; M173-I207 WeakPolarHBondContact O-CD1 3.1Å
174	L	92.1	Very high	94.7	Very high	59 Å²	59	53.9 Å²	53.9	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-77.1	-39.7	-179	-67.9	174.2	0	0	0	112.2	L170 T171 E172 R177 I207	L170-L174 HydrophobicContact CD1-CD1 4.03Å; L170-L174 HydrophobicContact CD1-CG 4.15Å; L170-L174 HydrophobicContact CG-CD1 4.08Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.23Å; T171-L174 PolarHBondContact O-N 2.95Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.25Å; L174-R177 PolarHBondContact O-NE 2.93Å; L174-I207 HydrophobicContact CD2-CB 4.4Å; L174-I207 HydrophobicContact CD2-CD1 4.43Å; L174-I207 HydrophobicContact CD2-CG2 4.23Å
175	C	94.2	Very high	94.9	Very high	103 Å²	103	56.1 Å²	56.1	70%	0.696	30%	0.302	S	S	*	.	H	α-helix	trans	-91.2	-35.6	-174.6	-67	0	0	0	0	113.9	T171 E172	T171-C175 WeakPolarHBondContact O-CB 3.38Å; T171-C175 PolarHBondContact O-N 2.88Å; E172-C175 PolarHBondContact O-N 3.02Å
176	E	94.6	Very high	95	Very high	91 Å²	91	59.6 Å²	59.6	43%	0.425	32%	0.323	S	S	.	.			trans	-110.8	40.6	-170.7	-55.1	-175.3	172.9	0	0	112.6	E172 D178 A179 I180	E172-E176 WeakPolarHBondContact O-CA 3.13Å; E172-E176 VanDerWaalsContact O-CB 3.29Å; E172-E176 WeakPolarHBondContact O-CB 3.23Å; E172-E176 PolarHBondContact O-N 3.28Å; E176-D178 PolarHBondContact O-N 3.08Å; E176-A179 HydrophobicContact CB-CB 4.11Å; E176-A179 PolarHBondContact O-N 2.91Å; E176-A179 VanDerWaalsContact O-N 3.11Å; E176-I180 PolarHBondContact O-N 3.46Å; E176-I180 VanDerWaalsContact O-N 3.13Å
177	R	94.1	Very high	95.2	Very high	91 Å²	91	62.1 Å²	62.1	34%	0.343	33%	0.33	S	S	.	.	H	α-helix	trans	-54.5	-41	-179.3	-65.1	-179.5	-172.4	-162.7	-2	112.5	M173 L174 I180 A181 I207	M173-R177 WeakPolarHBondContact O-CG 3.49Å; L174-R177 PolarHBondContact O-NE 2.93Å; R177-I180 PolarHBondContact O-N 3.39Å; R177-A181 WeakPolarHBondContact O-CB 3.34Å; R177-A181 PolarHBondContact O-N 3.46Å; R177-I207 HydrophobicContact CG-CD1 4.48Å
178	D	94.9	Very high	95.3	Very high	127 Å²	127	55.2 Å²	55.2	68%	0.679	30%	0.296	S	S	*	.	H	α-helix	trans	-66.9	-37.6	-179.5	-62.3	-29.1	0	0	0	112.1	E176 A181 Q182	E176-D178 PolarHBondContact O-N 3.08Å; D178-A181 PolarHBondContact O-N 3.48Å; D178-Q182 WeakPolarHBondContact O-CB 3.34Å; D178-Q182 VanDerWaalsContact O-CG 3.26Å; D178-Q182 WeakPolarHBondContact O-CG 3.27Å; D178-Q182 PolarHBondContact O-N 3.49Å
179	A	95.1	Very high	95.3	Very high	42 Å²	42	54.6 Å²	54.6	35%	0.347	30%	0.295	S	S	.	.	H	α-helix	trans	-68.8	-39.2	177.9	0	0	0	0	0	111.5	E176 L183	E176-A179 HydrophobicContact CB-CB 4.11Å; E176-A179 PolarHBondContact O-N 2.91Å; E176-A179 VanDerWaalsContact O-N 3.11Å; A179-L183 WeakPolarHBondContact O-CB 3.35Å; A179-L183 PolarHBondContact O-N 2.71Å
180	I	95.3	Very high	95.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-42.2	174.8	-63.2	174.7	0	0	0	110.5	L165 K168 M173 E176 R177 L183 T184	L165-I180 HydrophobicContact CD2-CD1 4.36Å; L165-I180 HydrophobicContact CD2-CG2 3.86Å; K168-I180 HydrophobicContact CB-CD1 4.24Å; K168-I180 HydrophobicContact CD-CG1 4.43Å; K168-I180 HydrophobicContact CG-CD1 3.98Å; K168-I180 HydrophobicContact CG-CG1 4.09Å; M173-I180 HydrophobicContact CB-CD1 4.28Å; M173-I180 HydrophobicContact CG-CD1 3.98Å; E176-I180 PolarHBondContact O-N 3.46Å; E176-I180 VanDerWaalsContact O-N 3.13Å; R177-I180 PolarHBondContact O-N 3.39Å; I180-L183 PolarHBondContact O-N 3.48Å; I180-T184 WeakPolarHBondContact O-CB 3.39Å; I180-T184 PolarHBondContact O-N 3.03Å; I180-T184 PolarHBondContact O-OG1 3.35Å
181	A	95.7	Very high	95.4	Very high	9 Å²	9	60 Å²	60	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-49.8	176.2	0	0	0	0	0	111.7	R177 D178 L183 T184 E185 V202	R177-A181 WeakPolarHBondContact O-CB 3.34Å; R177-A181 PolarHBondContact O-N 3.46Å; D178-A181 PolarHBondContact O-N 3.48Å; A181-L183 PolarHBondContact O-N 3.27Å; A181-T184 PolarHBondContact O-N 2.95Å; A181-E185 WeakPolarHBondContact O-CB 3.18Å; A181-E185 PolarHBondContact O-N 2.8Å; A181-V202 WeakPolarHBondContact CB-O 3.28Å
182	Q	96.5	Very high	95.5	Very high	123 Å²	123	55.7 Å²	55.7	58%	0.575	30%	0.299	S	S	*	.	H	α-helix	trans	-62.8	-42.1	178.6	-73.7	171.3	6.8	0	0	113	D178 E185 T186	D178-Q182 WeakPolarHBondContact O-CB 3.34Å; D178-Q182 VanDerWaalsContact O-CG 3.26Å; D178-Q182 WeakPolarHBondContact O-CG 3.27Å; D178-Q182 PolarHBondContact O-N 3.49Å; Q182-E185 PolarHBondContact O-N 3.12Å; Q182-T186 PolarHBondContact O-N 2.81Å; Q182-T186 PolarHBondContact O-OG1 2.89Å
183	L	95.8	Very high	95.5	Very high	69 Å²	69	59.5 Å²	59.5	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-47.6	175	-179.2	162.7	0	0	0	110.4	A164 A179 I180 A181 E185 T186 I187	A164-L183 HydrophobicContact CB-CD2 3.89Å; A179-L183 WeakPolarHBondContact O-CB 3.35Å; A179-L183 PolarHBondContact O-N 2.71Å; I180-L183 PolarHBondContact O-N 3.48Å; A181-L183 PolarHBondContact O-N 3.27Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-E185 PolarHBondContact O-N 2.75Å; L183-T186 PolarHBondContact O-N 2.95Å; L183-I187 HydrophobicContact CD2-CD1 3.43Å; L183-I187 VanDerWaalsContact CD2-CD1 3.43Å; L183-I187 HydrophobicContact CD2-CG1 4.26Å; L183-I187 HydrophobicContact CG-CD1 4.34Å; L183-I187 WeakPolarHBondContact O-CG1 3.18Å; L183-I187 PolarHBondContact O-N 3.39Å; L183-I187 VanDerWaalsContact O-N 3.08Å
184	T	96.3	Very high	95.6	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.012	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-40.4	-179.7	-54.7	0	0	0	0	111.1	T160 L161 I180 A181 L188 V202	T160-T184 HydrophobicContact CG2-CG2 4.07Å; L161-T184 HydrophobicContact CB-CG2 4.46Å; L161-T184 HydrophobicContact CD1-CG2 4.28Å; I180-T184 WeakPolarHBondContact O-CB 3.39Å; I180-T184 PolarHBondContact O-N 3.03Å; I180-T184 PolarHBondContact O-OG1 3.35Å; A181-T184 PolarHBondContact O-N 2.95Å; T184-L188 WeakPolarHBondContact O-CB 3.32Å; T184-L188 PolarHBondContact O-N 3.32Å; T184-V202 HydrophobicContact CG2-CG1 4.16Å; T184-V202 HydrophobicContact CG2-CG2 4.5Å
185	E	97.3	Very high	95.8	Very high	57 Å²	57	66.1 Å²	66.1	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-48.3	174.4	-176.8	-175.4	137	0	0	111.4	A181 Q182 L183 L188 D189 V199 R201 V202	A181-E185 WeakPolarHBondContact O-CB 3.18Å; A181-E185 PolarHBondContact O-N 2.8Å; Q182-E185 PolarHBondContact O-N 3.12Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-E185 PolarHBondContact O-N 2.75Å; E185-L188 PolarHBondContact O-N 3.09Å; E185-D189 VanDerWaalsContact O-CB 3.27Å; E185-D189 WeakPolarHBondContact O-CB 3.3Å; E185-D189 PolarHBondContact O-N 3.06Å; E185-V199 HydrophobicContact CG-CG1 4.12Å; E185-R201 WeakPolarHBondContact OE2-CA 3.33Å; E185-V202 HydrophobicContact CB-CB 4.25Å; E185-V202 HydrophobicContact CB-CG2 3.86Å; E185-V202 HydrophobicContact CG-CG2 4.44Å
186	T	97.2	Very high	95.8	Very high	74 Å²	74	61.4 Å²	61.4	45%	0.454	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-49.9	-179.4	-53.5	0	0	0	0	111.1	Q182 L183 L188 D189 E190	Q182-T186 PolarHBondContact O-N 2.81Å; Q182-T186 PolarHBondContact O-OG1 2.89Å; L183-T186 PolarHBondContact O-N 2.95Å; T186-L188 VanDerWaalsContact C-N 3.31Å; T186-L188 PolarHBondContact O-N 3Å; T186-D189 PolarHBondContact O-N 3.19Å; T186-E190 WeakPolarHBondContact O-CG 3.28Å; T186-E190 PolarHBondContact O-N 3.02Å
187	I	96.9	Very high	95.9	Very high	80 Å²	80	57.2 Å²	57.2	41%	0.41	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-39	179.7	-61.8	176.5	0	0	0	111.1	T160 L183 G191	T160-I187 HydrophobicContact CG2-CB 3.76Å; T160-I187 HydrophobicContact CG2-CG2 3.52Å; L183-I187 HydrophobicContact CD2-CD1 3.43Å; L183-I187 VanDerWaalsContact CD2-CD1 3.43Å; L183-I187 HydrophobicContact CD2-CG1 4.26Å; L183-I187 HydrophobicContact CG-CD1 4.34Å; L183-I187 WeakPolarHBondContact O-CG1 3.18Å; L183-I187 PolarHBondContact O-N 3.39Å; L183-I187 VanDerWaalsContact O-N 3.08Å; I187-G191 PolarHBondContact O-N 2.97Å; I187-G191 VanDerWaalsContact O-N 3.09Å
188	L	96.4	Very high	96.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-43	-179.8	-169.1	64.2	0	0	0	111.2	V132 L156 A157 T184 E185 T186 G191 T192 V199 V202	V132-L188 HydrophobicContact CG1-CD2 3.66Å; V132-L188 HydrophobicContact CG2-CD2 4.25Å; L156-L188 HydrophobicContact CB-CD1 3.99Å; L156-L188 HydrophobicContact CD2-CD1 3.89Å; L156-L188 HydrophobicContact CG-CD1 3.66Å; A157-L188 HydrophobicContact CB-CD1 4.16Å; A157-L188 HydrophobicContact CB-CD2 3.91Å; T184-L188 WeakPolarHBondContact O-CB 3.32Å; T184-L188 PolarHBondContact O-N 3.32Å; E185-L188 PolarHBondContact O-N 3.09Å; T186-L188 VanDerWaalsContact C-N 3.31Å; T186-L188 PolarHBondContact O-N 3Å; L188-G191 PolarHBondContact O-N 2.82Å; L188-T192 HydrophobicContact CD1-CG2 4.23Å; L188-T192 HydrophobicContact CG-CG2 4.31Å; L188-T192 WeakPolarHBondContact O-CB 3.46Å; L188-T192 VanDerWaalsContact O-CG2 3.25Å; L188-T192 WeakPolarHBondContact O-CG2 3.32Å; L188-T192 PolarHBondContact O-N 3.29Å; L188-T192 PolarHBondContact O-OG1 2.82Å; L188-V199 HydrophobicContact CB-CG2 4.21Å; L188-V199 HydrophobicContact CD2-CG1 4.21Å; L188-V199 HydrophobicContact CD2-CG2 3.9Å; L188-V199 HydrophobicContact CG-CG2 3.76Å; L188-V202 HydrophobicContact CD2-CG2 4.48Å
189	D	97	Very high	96.2	Very high	33 Å²	33	50.5 Å²	50.5	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-49.5	178.7	-168.9	54.3	0	0	0	111.4	E185 T186 G191 T192 E193 K198 V199	E185-D189 VanDerWaalsContact O-CB 3.27Å; E185-D189 WeakPolarHBondContact O-CB 3.3Å; E185-D189 PolarHBondContact O-N 3.06Å; T186-D189 PolarHBondContact O-N 3.19Å; D189-G191 VanDerWaalsContact C-N 3.3Å; D189-G191 PolarHBondContact O-N 3.3Å; D189-T192 PolarHBondContact O-N 2.84Å; D189-T192 VanDerWaalsContact O-N 3.14Å; D189-T192 PolarHBondContact O-OG1 3.07Å; D189-E193 PolarHBondContact O-N 3.4Å; D189-K198 VanDerWaalsContact CG-NZ 3.27Å; D189-K198 WeakPolarHBondContact OD1-CD 3.46Å; D189-K198 WeakPolarHBondContact OD1-CE 3.29Å; D189-K198 IonicContact OD1-NZ 3.86Å; D189-K198 PolarHBondContact OD1-NZ 3.33Å; D189-K198 IonicContact OD2-NZ 3.54Å; D189-K198 PolarHBondContact OD2-NZ 3.31Å; D189-V199 HydrophobicContact CB-CB 4.13Å; D189-V199 HydrophobicContact CB-CG2 4.42Å; D189-V199 PolarHBondContact OD1-N 3.41Å; D189-V199 VanDerWaalsContact OD1-N 3.14Å
190	E	96.9	Very high	96.3	Very high	122 Å²	122	52.5 Å²	52.5	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-57.2	-42.6	174.8	-72	176.5	-177.2	0	0	111.8	T186	T186-E190 WeakPolarHBondContact O-CG 3.28Å; T186-E190 PolarHBondContact O-N 3.02Å
191	G	94.8	Very high	96.3	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	28%	0.284	S	S	.	.	H	α-helix	trans	-70.4	-28.4	178.4	0	0	0	0	0	114.3	I187 L188 D189	I187-G191 PolarHBondContact O-N 2.97Å; I187-G191 VanDerWaalsContact O-N 3.09Å; L188-G191 PolarHBondContact O-N 2.82Å; D189-G191 VanDerWaalsContact C-N 3.3Å; D189-G191 PolarHBondContact O-N 3.3Å
192	T	96	Very high	96.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-94.6	-11.7	-177.8	59.1	0	0	0	0	114.6	T153 L156 L188 D189 H194 W195 G196 I197 V199	T153-T192 HydrophobicContact CG2-CG2 3.89Å; L156-T192 HydrophobicContact CD2-CG2 4.06Å; L188-T192 HydrophobicContact CD1-CG2 4.23Å; L188-T192 HydrophobicContact CG-CG2 4.31Å; L188-T192 WeakPolarHBondContact O-CB 3.46Å; L188-T192 VanDerWaalsContact O-CG2 3.25Å; L188-T192 WeakPolarHBondContact O-CG2 3.32Å; L188-T192 PolarHBondContact O-N 3.29Å; L188-T192 PolarHBondContact O-OG1 2.82Å; D189-T192 PolarHBondContact O-N 2.84Å; D189-T192 VanDerWaalsContact O-N 3.14Å; D189-T192 PolarHBondContact O-OG1 3.07Å; T192-H194 VanDerWaalsContact C-N 3.29Å; T192-H194 PolarHBondContact O-N 3.09Å; T192-W195 HydrophobicContact CG2-CE3 3.88Å; T192-W195 HydrophobicContact CG2-CZ3 3.94Å; T192-W195 WeakPolarHBondContact O-CA 3.41Å; T192-W195 WeakPolarHBondContact O-CB 3.46Å; T192-W195 PolarHBondContact O-N 2.91Å; T192-G196 PolarHBondContact O-N 2.82Å; T192-I197 PolarHBondContact O-N 3.42Å; T192-I197 PolarHBondContact OG1-O 3.27Å; T192-V199 HydrophobicContact CG2-CG2 4.5Å
193	E	95.6	Very high	96.4	Very high	134 Å²	134	55.7 Å²	55.7	63%	0.626	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-56.6	-42.6	-176.5	-174.5	173.8	-165.6	0	0	112	D189 W195 G196	D189-E193 PolarHBondContact O-N 3.4Å; E193-W195 PolarHBondContact O-N 2.82Å; E193-G196 PolarHBondContact O-N 2.73Å
194	H	94.7	Very high	96.4	Very high	140 Å²	140	53.5 Å²	53.5	65%	0.648	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20	177.7	-61.1	-39.9	0	0	0	114	N145 T192 G196	N145-H194 PolarHBondContact ND2-O 2.93Å; T192-H194 VanDerWaalsContact C-N 3.29Å; T192-H194 PolarHBondContact O-N 3.09Å; H194-G196 VanDerWaalsContact C-N 3.33Å
195	W	95.6	Very high	96.3	Very high	57 Å²	57	59.7 Å²	59.7	22%	0.216	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-90.3	1.3	173.9	-55	-26	0	0	0	112.4	A141 A142 V146 A149 L156 T192 E193 I197	A141-W195 CarbonylContact C-O 3.56Å; A142-W195 WeakPolarHBondContact CA-O 3.44Å; A142-W195 WeakPolarHBondContact CB-O 3.25Å; A142-W195 PolarHBondContact N-O 2.87Å; A142-W195 VanDerWaalsContact N-O 3.16Å; V146-W195 HydrophobicContact CB-CG 4.29Å; V146-W195 HydrophobicContact CG1-CB 4Å; V146-W195 HydrophobicContact CG1-CG 3.94Å; A149-W195 HydrophobicContact CB-CB 4.41Å; L156-W195 HydrophobicContact CB-CH2 4.14Å; L156-W195 HydrophobicContact CB-CZ3 4.21Å; L156-W195 HydrophobicContact CD2-CH2 3.76Å; L156-W195 HydrophobicContact CD2-CZ3 3.81Å; T192-W195 HydrophobicContact CG2-CE3 3.88Å; T192-W195 HydrophobicContact CG2-CZ3 3.94Å; T192-W195 WeakPolarHBondContact O-CA 3.41Å; T192-W195 WeakPolarHBondContact O-CB 3.46Å; T192-W195 PolarHBondContact O-N 2.91Å; E193-W195 PolarHBondContact O-N 2.82Å; W195-I197 PolarHBondContact O-N 3.01Å
196	G	95.2	Very high	96.1	Very high	5 Å²	5	59.9 Å²	59.9	5%	0.052	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	20.5	-176.7	0	0	0	0	0	113.6	S137 D138 T192 E193 H194	S137-G196 PolarHBondContact N-O 2.89Å; D138-G196 PolarHBondContact N-O 3.36Å; T192-G196 PolarHBondContact O-N 2.82Å; E193-G196 PolarHBondContact O-N 2.73Å; H194-G196 VanDerWaalsContact C-N 3.33Å
197	I	97.4	Very high	95.9	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.3	174.5	-70.9	173.9	0	0	0	108.8	F134 A149 T153 T192 W195	F134-I197 HydrophobicContact CB-CG2 3.97Å; F134-I197 HydrophobicContact CD2-CG2 3.78Å; F134-I197 HydrophobicContact CG-CG2 4.2Å; A149-I197 VanDerWaalsContact C-CD1 3.42Å; A149-I197 HydrophobicContact CB-CD1 3.46Å; A149-I197 VanDerWaalsContact CB-CD1 3.46Å; A149-I197 HydrophobicContact CB-CG1 4.22Å; A149-I197 WeakPolarHBondContact O-CD1 3.44Å; T153-I197 HydrophobicContact CG2-CG2 4.32Å; T153-I197 WeakPolarHBondContact OG1-CD1 3.34Å; T192-I197 PolarHBondContact O-N 3.42Å; T192-I197 PolarHBondContact OG1-O 3.27Å; W195-I197 PolarHBondContact O-N 3.01Å
198	K	97.4	Very high	95.8	Very high	75 Å²	75	57.8 Å²	57.8	33%	0.326	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.6	172.4	-178.8	73.4	-164.4	167.9	0	108.8	F134 R135 D189	F134-K198 CarbonylContact C-O 3.48Å; F134-K198 VanDerWaalsContact CA-O 3.25Å; F134-K198 WeakPolarHBondContact CA-O 3.39Å; F134-K198 WeakPolarHBondContact CB-O 3.06Å; R135-K198 HydrophobicContact CG-CB 4.39Å; R135-K198 PolarHBondContact N-O 3.44Å; R135-K198 PolarHBondContact O-N 2.89Å; D189-K198 VanDerWaalsContact CG-NZ 3.27Å; D189-K198 WeakPolarHBondContact OD1-CD 3.46Å; D189-K198 WeakPolarHBondContact OD1-CE 3.29Å; D189-K198 IonicContact OD1-NZ 3.86Å; D189-K198 PolarHBondContact OD1-NZ 3.33Å; D189-K198 IonicContact OD2-NZ 3.54Å; D189-K198 PolarHBondContact OD2-NZ 3.31Å
199	V	98	Very high	95.6	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.7	170.4	-174.8	0	0	0	0	107.4	V132 F134 E185 L188 D189 T192 V202	V132-V199 HydrophobicContact CG1-CG1 3.98Å; F134-V199 HydrophobicContact CB-CG2 4.44Å; E185-V199 HydrophobicContact CG-CG1 4.12Å; L188-V199 HydrophobicContact CB-CG2 4.21Å; L188-V199 HydrophobicContact CD2-CG1 4.21Å; L188-V199 HydrophobicContact CD2-CG2 3.9Å; L188-V199 HydrophobicContact CG-CG2 3.76Å; D189-V199 HydrophobicContact CB-CB 4.13Å; D189-V199 HydrophobicContact CB-CG2 4.42Å; D189-V199 PolarHBondContact OD1-N 3.41Å; D189-V199 VanDerWaalsContact OD1-N 3.14Å; T192-V199 HydrophobicContact CG2-CG2 4.5Å; V199-V202 HydrophobicContact CG1-CG2 4.14Å
200	E	96.1	Very high	95.3	Very high	83 Å²	83	60.8 Å²	60.8	39%	0.388	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-33.8	-178.7	-67.6	-72.9	164.4	0	0	111.5	V108 Y133 R135	V108-E200 HydrophobicContact CG2-CG 4.33Å; Y133-E200 PolarHBondContact O-N 3.16Å; R135-E200 HydrophobicContact CG-CG 4.36Å; R135-E200 IonicContact CZ-OE1 3.75Å; R135-E200 VanDerWaalsContact CZ-OE1 3.23Å; R135-E200 IonicContact NE-OE1 3.77Å; R135-E200 PolarHBondContact NE-OE1 2.85Å; R135-E200 IonicContact NH2-OE1 3.55Å; R135-E200 PolarHBondContact NH2-OE1 2.82Å
201	R	96.2	Very high	95.1	Very high	123 Å²	123	61.2 Å²	61.2	46%	0.464	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	146.4	179.3	-167.4	165	63.2	-170.1	11.6	112.5	Y133 E185 E203	Y133-R201 HydrophobicContact CD2-CB 4.14Å; Y133-R201 PolarHBondContact N-O 3.14Å; Y133-R201 PolarHBondContact O-N 3.36Å; E185-R201 WeakPolarHBondContact OE2-CA 3.33Å; R201-E203 HydrophobicContact CG-CG 4.21Å; R201-E203 IonicContact CZ-OE1 2.67Å; R201-E203 IonicContact NE-OE1 3.02Å; R201-E203 PolarHBondContact NE-OE1 2.98Å; R201-E203 IonicContact NH1-OE1 3.19Å; R201-E203 IonicContact NH2-OE1 3.28Å; R201-E203 PolarHBondContact NH2-OE1 3.36Å
202	V	97.7	Very high	95.1	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.5	163.6	-179.3	0	0	0	0	109.2	V132 A181 T184 E185 L188 V199	V132-V202 HydrophobicContact CG1-CG2 4.28Å; V132-V202 HydrophobicContact CG2-CG1 4.47Å; V132-V202 HydrophobicContact CG2-CG2 4.27Å; A181-V202 WeakPolarHBondContact CB-O 3.28Å; T184-V202 HydrophobicContact CG2-CG1 4.16Å; T184-V202 HydrophobicContact CG2-CG2 4.5Å; E185-V202 HydrophobicContact CB-CB 4.25Å; E185-V202 HydrophobicContact CB-CG2 3.86Å; E185-V202 HydrophobicContact CG-CG2 4.44Å; L188-V202 HydrophobicContact CD2-CG2 4.48Å; V199-V202 HydrophobicContact CG1-CG2 4.14Å
203	E	96.5	Very high	94.8	Very high	74 Å²	74	70 Å²	70	35%	0.346	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.2	174.6	-68.5	-176.5	-172.5	0	0	110.7	A130 V131 Y133 R201	A130-E203 CarbonylContact C-O 3.58Å; A130-E203 WeakPolarHBondContact CA-O 3.27Å; A130-E203 VanDerWaalsContact CB-O 3.3Å; A130-E203 WeakPolarHBondContact CB-O 3.37Å; V131-E203 PolarHBondContact N-O 3.14Å; V131-E203 PolarHBondContact O-N 3.18Å; Y133-E203 HydrophobicContact CE2-CG 4.26Å; R201-E203 HydrophobicContact CG-CG 4.21Å; R201-E203 IonicContact CZ-OE1 2.67Å; R201-E203 IonicContact NE-OE1 3.02Å; R201-E203 PolarHBondContact NE-OE1 2.98Å; R201-E203 IonicContact NH1-OE1 3.19Å; R201-E203 IonicContact NH2-OE1 3.28Å; R201-E203 PolarHBondContact NH2-OE1 3.36Å
204	V	95.6	Very high	94.6	Very high	23 Å²	23	66.7 Å²	66.7	14%	0.139	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.1	170.7	-177.2	0	0	0	0	108.3	V128 I207	V128-V204 HydrophobicContact CG1-CG1 3.83Å; V204-I207 HydrophobicContact CG1-CD1 4.19Å; V204-I207 HydrophobicContact CG1-CG1 4.03Å
205	K	93.6	Very high	94.6	Very high	132 Å²	132	67.5 Å²	67.5	57%	0.574	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	-60.9	-173.2	175.9	-174.2	172.3	-156.7	0	111.4	D129	D129-K205 PolarHBondContact O-N 2.85Å; D129-K205 VanDerWaalsContact OD1-CB 3.32Å; D129-K205 WeakPolarHBondContact OD1-CB 3.43Å; D129-K205 IonicContact OD2-NZ 3.85Å
206	D	93.2	Very high	94.5	Very high	62 Å²	62	67.7 Å²	67.7	33%	0.332	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.5	-177.7	-173.5	28.9	0	0	0	111.8	V128 D129 R208	V128-D206 WeakPolarHBondContact CA-O 3.32Å; D129-D206 PolarHBondContact N-O 3.01Å; D129-D206 WeakPolarHBondContact OD1-CA 3.38Å; D129-D206 VanDerWaalsContact OD1-CB 3.23Å; D129-D206 WeakPolarHBondContact OD1-CB 3.44Å; D129-D206 PolarHBondContact OD1-N 3.26Å; D206-R208 WeakPolarHBondContact OD2-CG 3.47Å; D206-R208 IonicContact OD2-NH1 3.23Å; D206-R208 PolarHBondContact OD2-NH1 2.65Å
207	I	94.1	Very high	94.4	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	102.2	178.6	-55.9	-179.4	0	0	0	107.1	V128 M173 L174 R177 V204	V128-I207 HydrophobicContact CG1-CG1 4.17Å; V128-I207 HydrophobicContact CG2-CB 4.45Å; V128-I207 HydrophobicContact CG2-CG1 4.15Å; V128-I207 HydrophobicContact CG2-CG2 4.09Å; M173-I207 HydrophobicContact CB-CD1 4.09Å; M173-I207 WeakPolarHBondContact O-CD1 3.1Å; L174-I207 HydrophobicContact CD2-CB 4.4Å; L174-I207 HydrophobicContact CD2-CD1 4.43Å; L174-I207 HydrophobicContact CD2-CG2 4.23Å; R177-I207 HydrophobicContact CG-CD1 4.48Å; V204-I207 HydrophobicContact CG1-CD1 4.19Å; V204-I207 HydrophobicContact CG1-CG1 4.03Å
208	R	93.4	Very high	94.2	Very high	99 Å²	99	73.7 Å²	73.7	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.9	-180	-64.7	-173.1	-66.3	-82	-4.2	110.5	P115 S127 D129 D206	P115-R208 VanDerWaalsContact CG-NH2 3.35Å; S127-R208 PolarHBondContact N-O 3.36Å; S127-R208 PolarHBondContact O-N 2.84Å; S127-R208 PolarHBondContact OG-NH2 3.18Å; D129-R208 IonicContact OD2-NH1 2.98Å; D206-R208 WeakPolarHBondContact OD2-CG 3.47Å; D206-R208 IonicContact OD2-NH1 3.23Å; D206-R208 PolarHBondContact OD2-NH1 2.65Å
209	L	92.7	Very high	94.1	Very high	42 Å²	42	72.9 Å²	72.9	22%	0.22	37%	0.369	C	S	.	.			trans	-105.1	154.7	175	-50.4	93.5	0	0	0	110.2	L170 Q211 L213 M217	L170-L209 HydrophobicContact CD1-CD2 3.55Å; L170-L209 HydrophobicContact CD1-CG 4.34Å; L170-L209 HydrophobicContact CD2-CD2 3.64Å; L170-L209 HydrophobicContact CG-CD2 4.2Å; L209-Q211 PolarHBondContact O-N 3.28Å; L209-L213 HydrophobicContact CB-CD2 4.26Å; L209-L213 HydrophobicContact CD2-CD2 3.55Å; L209-M217 HydrophobicContact CD2-SD 4.29Å
210	P	91.5	Very high	94	Very high	53 Å²	53	79.6 Å²	79.6	34%	0.344	40%	0.4	S	S	.	.			trans	-55.6	134.2	171.6	-24.1	32.7	0	0	0	111.1	T125 Q212 L213 T214	T125-P210 WeakPolarHBondContact O-CD 3.02Å; P210-Q212 PolarHBondContact O-N 2.98Å; P210-Q212 VanDerWaalsContact O-N 3.08Å; P210-L213 PolarHBondContact O-N 3.22Å; P210-T214 PolarHBondContact O-N 2.9Å; P210-T214 PolarHBondContact O-OG1 2.93Å
211	Q	92.4	Very high	93.9	Very high	131 Å²	131	78.5 Å²	78.5	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-56	-34.4	-173.5	-171	179.7	37.1	0	0	113.4	L209 R215	L209-Q211 PolarHBondContact O-N 3.28Å; Q211-R215 VanDerWaalsContact CD-NH2 3.29Å; Q211-R215 VanDerWaalsContact O-CG 3.31Å; Q211-R215 WeakPolarHBondContact O-CG 3.4Å; Q211-R215 PolarHBondContact O-N 2.98Å; Q211-R215 VanDerWaalsContact O-N 3.11Å
212	Q	93.5	Very high	93.8	Very high	167 Å²	167	78.6 Å²	78.6	78%	0.78	41%	0.411	S	S	*	.	H	α-helix	trans	-64.2	-45.5	177.5	-69.2	-178.3	-17.6	0	0	111.9	P210 R215 A216	P210-Q212 PolarHBondContact O-N 2.98Å; P210-Q212 VanDerWaalsContact O-N 3.08Å; Q212-R215 PolarHBondContact O-N 2.85Å; Q212-A216 PolarHBondContact O-N 2.73Å
213	L	91.4	Very high	93.8	Very high	49 Å²	49	81.1 Å²	81.1	26%	0.257	43%	0.432	S	S	.	.	H	α-helix	trans	-68.3	-41	179.3	-176.6	147	0	0	0	111	V124 L170 L209 P210 R215 A216 M217	V124-L213 HydrophobicContact CB-CD1 4.46Å; V124-L213 HydrophobicContact CG1-CD1 3.53Å; V124-L213 HydrophobicContact CG1-CD2 4.45Å; V124-L213 HydrophobicContact CG2-CD1 4.08Å; L170-L213 HydrophobicContact CD2-CD2 4.36Å; L209-L213 HydrophobicContact CB-CD2 4.26Å; L209-L213 HydrophobicContact CD2-CD2 3.55Å; P210-L213 PolarHBondContact O-N 3.22Å; L213-R215 VanDerWaalsContact C-N 3.3Å; L213-R215 PolarHBondContact O-N 2.92Å; L213-A216 PolarHBondContact O-N 2.97Å; L213-M217 HydrophobicContact CD2-CG 3.94Å; L213-M217 HydrophobicContact CD2-SD 3.35Å; L213-M217 WeakPolarHBondContact CD2-SD 3.33Å; L213-M217 HydrophobicContact CG-CG 4.39Å; L213-M217 HydrophobicContact CG-SD 4.35Å; L213-M217 WeakPolarHBondContact O-CB 3.25Å; L213-M217 WeakPolarHBondContact O-CG 3.45Å; L213-M217 PolarHBondContact O-N 3.15Å
214	T	91.7	Very high	93.7	Very high	65 Å²	65	79.3 Å²	79.3	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-57.8	-43.4	174.9	-50.1	0	0	0	0	111.8	P210 A218	P210-T214 PolarHBondContact O-N 2.9Å; P210-T214 PolarHBondContact O-OG1 2.93Å; T214-A218 VanDerWaalsContact O-CB 3.28Å; T214-A218 WeakPolarHBondContact O-CB 3.39Å; T214-A218 PolarHBondContact O-N 3.12Å
215	R	94.2	Very high	93.8	Very high	157 Å²	157	87.6 Å²	87.6	59%	0.592	46%	0.459	S	S	*	.	H	α-helix	trans	-66	-43.5	177	-72.4	175.1	-176.5	174.2	3.4	111.8	Q211 Q212 L213 A218 A219	Q211-R215 VanDerWaalsContact CD-NH2 3.29Å; Q211-R215 VanDerWaalsContact O-CG 3.31Å; Q211-R215 WeakPolarHBondContact O-CG 3.4Å; Q211-R215 PolarHBondContact O-N 2.98Å; Q211-R215 VanDerWaalsContact O-N 3.11Å; Q212-R215 PolarHBondContact O-N 2.85Å; L213-R215 VanDerWaalsContact C-N 3.3Å; L213-R215 PolarHBondContact O-N 2.92Å; R215-A218 PolarHBondContact O-N 3.4Å; R215-A219 WeakPolarHBondContact O-CB 3.04Å; R215-A219 PolarHBondContact O-N 3.39Å
216	A	93.9	Very high	94	Very high	60 Å²	60	86.3 Å²	86.3	50%	0.496	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-47.4	178.3	0	0	0	0	0	111.9	Q212 L213 A218 A219 E220	Q212-A216 PolarHBondContact O-N 2.73Å; L213-A216 PolarHBondContact O-N 2.97Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-A218 PolarHBondContact O-N 3.45Å; A216-A219 PolarHBondContact O-N 3.42Å; A216-E220 WeakPolarHBondContact O-CB 3.18Å; A216-E220 PolarHBondContact O-N 2.73Å
217	M	92.5	Very high	94.2	Very high	77 Å²	77	85.9 Å²	85.9	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-61.7	-40.1	175.9	-74.4	-174.6	73.8	0	0	112.3	L170 L209 L213 E220 A221	L170-M217 HydrophobicContact CD2-CE 4.13Å; L170-M217 HydrophobicContact CD2-SD 3.82Å; L209-M217 HydrophobicContact CD2-SD 4.29Å; L213-M217 HydrophobicContact CD2-CG 3.94Å; L213-M217 HydrophobicContact CD2-SD 3.35Å; L213-M217 WeakPolarHBondContact CD2-SD 3.33Å; L213-M217 HydrophobicContact CG-CG 4.39Å; L213-M217 HydrophobicContact CG-SD 4.35Å; L213-M217 WeakPolarHBondContact O-CB 3.25Å; L213-M217 WeakPolarHBondContact O-CG 3.45Å; L213-M217 PolarHBondContact O-N 3.15Å; M217-E220 PolarHBondContact O-N 3.24Å; M217-A221 WeakPolarHBondContact O-CB 3.43Å; M217-A221 PolarHBondContact O-N 3.16Å
218	A	93	Very high	94.3	Very high	57 Å²	57	93.6 Å²	93.6	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-45.1	176.9	0	0	0	0	0	111.5	T214 R215 A216 A221 E222	T214-A218 VanDerWaalsContact O-CB 3.28Å; T214-A218 WeakPolarHBondContact O-CB 3.39Å; T214-A218 PolarHBondContact O-N 3.12Å; R215-A218 PolarHBondContact O-N 3.4Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-A218 PolarHBondContact O-N 3.45Å; A218-A221 PolarHBondContact O-N 2.61Å; A218-E222 WeakPolarHBondContact O-CB 3.45Å; A218-E222 PolarHBondContact O-N 3.21Å
219	A	95.5	Very high	94.5	Very high	58 Å²	58	91.7 Å²	91.7	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-42	176.9	0	0	0	0	0	112.2	R215 A216 E222 A223	R215-A219 WeakPolarHBondContact O-CB 3.04Å; R215-A219 PolarHBondContact O-N 3.39Å; A216-A219 PolarHBondContact O-N 3.42Å; A219-E222 PolarHBondContact O-N 2.93Å; A219-A223 WeakPolarHBondContact O-CB 3.43Å; A219-A223 PolarHBondContact O-N 2.69Å
220	E	94.8	Very high	94.7	Very high	144 Å²	144	96.6 Å²	96.6	67%	0.673	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-43.7	175.7	-174.1	-179.5	175.6	0	0	111.6	A216 M217 E222 A223 A224	A216-E220 WeakPolarHBondContact O-CB 3.18Å; A216-E220 PolarHBondContact O-N 2.73Å; M217-E220 PolarHBondContact O-N 3.24Å; E220-E222 PolarHBondContact O-N 2.94Å; E220-A223 PolarHBondContact O-N 2.83Å; E220-A224 VanDerWaalsContact O-CB 3.25Å; E220-A224 WeakPolarHBondContact O-CB 3.45Å; E220-A224 PolarHBondContact O-N 2.92Å
221	A	93.7	Very high	95	Very high	59 Å²	59	98 Å²	98	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-64.8	-39.5	178.1	0	0	0	0	0	112.1	M217 A218 R225	M217-A221 WeakPolarHBondContact O-CB 3.43Å; M217-A221 PolarHBondContact O-N 3.16Å; A218-A221 PolarHBondContact O-N 2.61Å; A221-R225 VanDerWaalsContact O-CB 3.25Å; A221-R225 WeakPolarHBondContact O-CB 3.46Å; A221-R225 PolarHBondContact O-N 2.95Å
222	E	95.1	Very high	95.2	Very high	126 Å²	126	96.3 Å²	96.3	59%	0.589	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-51.9	174.9	-175.2	169.8	-157.5	0	0	110.9	A218 A219 E220 A224 R225 E226	A218-E222 WeakPolarHBondContact O-CB 3.45Å; A218-E222 PolarHBondContact O-N 3.21Å; A219-E222 PolarHBondContact O-N 2.93Å; E220-E222 PolarHBondContact O-N 2.94Å; E222-A224 VanDerWaalsContact C-N 3.33Å; E222-A224 PolarHBondContact O-N 2.82Å; E222-R225 PolarHBondContact O-N 3.43Å; E222-R225 VanDerWaalsContact O-N 3.1Å; E222-E226 WeakPolarHBondContact O-CG 3.43Å; E222-E226 PolarHBondContact O-N 2.94Å
223	A	96.6	Very high	95.4	Very high	58 Å²	58	90.9 Å²	90.9	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-59	-42.7	177	0	0	0	0	0	112.3	A219 E220 R225 E226 A227	A219-A223 WeakPolarHBondContact O-CB 3.43Å; A219-A223 PolarHBondContact O-N 2.69Å; E220-A223 PolarHBondContact O-N 2.83Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.2Å; A223-E226 PolarHBondContact O-N 3.34Å; A223-A227 WeakPolarHBondContact O-CB 3.32Å; A223-A227 PolarHBondContact O-N 2.85Å
224	A	96.3	Very high	95.7	Very high	35 Å²	35	91.2 Å²	91.2	29%	0.289	51%	0.513	S	S	.	.	H	α-helix	trans	-67.9	-31.7	177.6	0	0	0	0	0	112.7	E220 E222 R228	E220-A224 VanDerWaalsContact O-CB 3.25Å; E220-A224 WeakPolarHBondContact O-CB 3.45Å; E220-A224 PolarHBondContact O-N 2.92Å; E222-A224 VanDerWaalsContact C-N 3.33Å; E222-A224 PolarHBondContact O-N 2.82Å; A224-R228 WeakPolarHBondContact O-CB 2.78Å; A224-R228 VanDerWaalsContact O-CG 3.27Å; A224-R228 WeakPolarHBondContact O-CG 3.35Å; A224-R228 PolarHBondContact O-N 3.38Å; A224-R228 VanDerWaalsContact O-N 3.13Å; A224-R228 PolarHBondContact O-NE 3.13Å; A224-R228 VanDerWaalsContact O-NE 3.14Å
225	R	96.5	Very high	96	Very high	198 Å²	198	93 Å²	93	75%	0.747	52%	0.516	S	S	*	.	H	α-helix	trans	-73.8	-42	175.6	-175.1	179.3	178	-175.9	-1	111.1	A221 E222 A223 R228 A229	A221-R225 VanDerWaalsContact O-CB 3.25Å; A221-R225 WeakPolarHBondContact O-CB 3.46Å; A221-R225 PolarHBondContact O-N 2.95Å; E222-R225 PolarHBondContact O-N 3.43Å; E222-R225 VanDerWaalsContact O-N 3.1Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.2Å; R225-R228 PolarHBondContact O-N 2.91Å; R225-A229 WeakPolarHBondContact O-CB 3.21Å; R225-A229 PolarHBondContact O-N 2.86Å
226	E	97.3	Very high	96.1	Very high	104 Å²	104	87.2 Å²	87.2	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-44.9	174.7	-73.1	-172.9	175.4	0	0	112	E222 A223 R228 A229 K230	E222-E226 WeakPolarHBondContact O-CG 3.43Å; E222-E226 PolarHBondContact O-N 2.94Å; A223-E226 PolarHBondContact O-N 3.34Å; E226-R228 VanDerWaalsContact C-N 3.34Å; E226-R228 PolarHBondContact O-N 2.81Å; E226-A229 PolarHBondContact O-N 3.16Å; E226-K230 WeakPolarHBondContact O-CG 3.43Å; E226-K230 PolarHBondContact O-N 2.98Å
227	A	97.2	Very high	96.2	Very high	54 Å²	54	90.9 Å²	90.9	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-59.4	-46.5	175.8	0	0	0	0	0	111	A223 A229 K230 V231	A223-A227 WeakPolarHBondContact O-CB 3.32Å; A223-A227 PolarHBondContact O-N 2.85Å; A227-A229 PolarHBondContact O-N 2.88Å; A227-K230 PolarHBondContact O-N 3.47Å; A227-V231 WeakPolarHBondContact O-CG2 3.11Å; A227-V231 PolarHBondContact O-N 2.91Å
228	R	96.7	Very high	96.4	Very high	173 Å²	173	92.9 Å²	92.9	65%	0.653	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-42.4	175.3	-79.8	-177.9	-101.1	-169.2	-9.1	112.3	A224 R225 E226 K230 V231 V232	A224-R228 WeakPolarHBondContact O-CB 2.78Å; A224-R228 VanDerWaalsContact O-CG 3.27Å; A224-R228 WeakPolarHBondContact O-CG 3.35Å; A224-R228 PolarHBondContact O-N 3.38Å; A224-R228 VanDerWaalsContact O-N 3.13Å; A224-R228 PolarHBondContact O-NE 3.13Å; A224-R228 VanDerWaalsContact O-NE 3.14Å; R225-R228 PolarHBondContact O-N 2.91Å; E226-R228 VanDerWaalsContact C-N 3.34Å; E226-R228 PolarHBondContact O-N 2.81Å; R228-K230 VanDerWaalsContact C-N 3.34Å; R228-K230 PolarHBondContact O-N 3.49Å; R228-V231 PolarHBondContact O-N 3.29Å; R228-V232 WeakPolarHBondContact O-CG2 3.28Å; R228-V232 PolarHBondContact O-N 2.76Å
229	A	97.4	Very high	96.6	Very high	59 Å²	59	97.2 Å²	97.2	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.3	0	0	0	0	0	112.1	R225 E226 A227 V232 A233	R225-A229 WeakPolarHBondContact O-CB 3.21Å; R225-A229 PolarHBondContact O-N 2.86Å; E226-A229 PolarHBondContact O-N 3.16Å; A227-A229 PolarHBondContact O-N 2.88Å; A229-V232 PolarHBondContact O-N 3.35Å; A229-A233 WeakPolarHBondContact O-CB 3.26Å; A229-A233 PolarHBondContact O-N 3.36Å
230	K	97.4	Very high	96.6	Very high	145 Å²	145	96.9 Å²	96.9	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-64	-41.6	175.5	-73.5	176.2	-177.6	169.7	0	112.6	E226 A227 R228 A233 A234	E226-K230 WeakPolarHBondContact O-CG 3.43Å; E226-K230 PolarHBondContact O-N 2.98Å; A227-K230 PolarHBondContact O-N 3.47Å; R228-K230 VanDerWaalsContact C-N 3.34Å; R228-K230 PolarHBondContact O-N 3.49Å; K230-A233 PolarHBondContact O-N 3.4Å; K230-A234 WeakPolarHBondContact O-CB 3.41Å; K230-A234 PolarHBondContact O-N 2.95Å
231	V	98	Very high	96.7	Very high	81 Å²	81	93.5 Å²	93.5	49%	0.491	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-47.2	176	173.8	0	0	0	0	110.7	A227 R228 A233 A234 E235	A227-V231 WeakPolarHBondContact O-CG2 3.11Å; A227-V231 PolarHBondContact O-N 2.91Å; R228-V231 PolarHBondContact O-N 3.29Å; V231-A233 VanDerWaalsContact C-N 3.31Å; V231-A233 PolarHBondContact O-N 3.14Å; V231-A234 PolarHBondContact O-N 2.98Å; V231-E235 HydrophobicContact CG1-CG 4.41Å; V231-E235 WeakPolarHBondContact O-CB 3.38Å; V231-E235 WeakPolarHBondContact O-CG 3.3Å; V231-E235 PolarHBondContact O-N 2.98Å
232	V	97.2	Very high	96.9	Very high	96 Å²	96	95.4 Å²	95.4	58%	0.582	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-38.5	178	172.9	0	0	0	0	111.6	R228 A229 G236	R228-V232 WeakPolarHBondContact O-CG2 3.28Å; R228-V232 PolarHBondContact O-N 2.76Å; A229-V232 PolarHBondContact O-N 3.35Å; V232-G236 PolarHBondContact O-N 3.19Å
233	A	97.2	Very high	96.9	Very high	54 Å²	54	92.2 Å²	92.2	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-64	-48.2	174.9	0	0	0	0	0	111.7	A229 K230 V231 E235 G236 E237	A229-A233 WeakPolarHBondContact O-CB 3.26Å; A229-A233 PolarHBondContact O-N 3.36Å; K230-A233 PolarHBondContact O-N 3.4Å; V231-A233 VanDerWaalsContact C-N 3.31Å; V231-A233 PolarHBondContact O-N 3.14Å; A233-E235 PolarHBondContact O-N 3.32Å; A233-G236 WeakPolarHBondContact O-CA 3.36Å; A233-G236 PolarHBondContact O-N 2.94Å; A233-E237 WeakPolarHBondContact O-CG 3.46Å; A233-E237 PolarHBondContact O-N 3.19Å
234	A	97.4	Very high	96.8	Very high	56 Å²	56	95.3 Å²	95.3	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-40.4	178	0	0	0	0	0	112.6	K230 V231 E237 M238	K230-A234 WeakPolarHBondContact O-CB 3.41Å; K230-A234 PolarHBondContact O-N 2.95Å; V231-A234 PolarHBondContact O-N 2.98Å; A234-E237 PolarHBondContact O-N 2.93Å; A234-M238 WeakPolarHBondContact O-CB 3.5Å; A234-M238 PolarHBondContact O-N 2.98Å
235	E	97.3	Very high	96.7	Very high	101 Å²	101	99.7 Å²	99.7	47%	0.472	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-39	173	-75	-177.6	-173.7	0	0	112.1	V231 A233 M238 K239	V231-E235 HydrophobicContact CG1-CG 4.41Å; V231-E235 WeakPolarHBondContact O-CB 3.38Å; V231-E235 WeakPolarHBondContact O-CG 3.3Å; V231-E235 PolarHBondContact O-N 2.98Å; A233-E235 PolarHBondContact O-N 3.32Å; E235-M238 PolarHBondContact O-N 3.2Å; E235-K239 WeakPolarHBondContact O-CG 3.01Å; E235-K239 PolarHBondContact O-N 3.35Å
236	G	97.6	Very high	96.6	Very high	37 Å²	37	96.4 Å²	96.4	38%	0.381	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-46.8	173.2	0	0	0	0	0	111.8	V232 A233 K239 A240	V232-G236 PolarHBondContact O-N 3.19Å; A233-G236 WeakPolarHBondContact O-CA 3.36Å; A233-G236 PolarHBondContact O-N 2.94Å; G236-K239 PolarHBondContact O-N 2.98Å; G236-A240 WeakPolarHBondContact O-CB 3.23Å; G236-A240 PolarHBondContact O-N 2.85Å
237	E	96.1	Very high	96.4	Very high	137 Å²	137	93.8 Å²	93.8	64%	0.64	52%	0.524	S	S	*	.	H	α-helix	trans	-62.6	-40.7	175.6	-75.2	-177.7	177.7	0	0	112	A233 A234 A240 S241	A233-E237 WeakPolarHBondContact O-CG 3.46Å; A233-E237 PolarHBondContact O-N 3.19Å; A234-E237 PolarHBondContact O-N 2.93Å; E237-A240 PolarHBondContact O-N 2.67Å; E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.3Å; E237-S241 PolarHBondContact O-N 3.49Å; E237-S241 PolarHBondContact O-OG 2.86Å
238	M	97	Very high	96.1	Very high	119 Å²	119	93.7 Å²	93.7	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-63.7	-47	176.2	-176.2	-179.2	-179.2	0	0	111.4	A234 E235 S241 H242	A234-M238 WeakPolarHBondContact O-CB 3.5Å; A234-M238 PolarHBondContact O-N 2.98Å; E235-M238 PolarHBondContact O-N 3.2Å; M238-S241 PolarHBondContact O-N 3.03Å; M238-H242 PolarHBondContact O-CD2 2.87Å; M238-H242 PolarHBondContact O-N 2.78Å
239	K	97	Very high	96	Very high	148 Å²	148	89.8 Å²	89.8	64%	0.643	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-43.5	176.9	-73.9	174.4	-175.1	168.8	0	111.6	E235 G236 S241 H242 A243	E235-K239 WeakPolarHBondContact O-CG 3.01Å; E235-K239 PolarHBondContact O-N 3.35Å; G236-K239 PolarHBondContact O-N 2.98Å; K239-S241 VanDerWaalsContact C-N 3.33Å; K239-H242 PolarHBondContact O-N 3.33Å; K239-A243 PolarHBondContact O-N 3.03Å
240	A	95.8	Very high	95.7	Very high	51 Å²	51	92 Å²	92	42%	0.421	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-42.6	174.9	0	0	0	0	0	111.3	G236 E237 H242 A243 L244	G236-A240 WeakPolarHBondContact O-CB 3.23Å; G236-A240 PolarHBondContact O-N 2.85Å; E237-A240 PolarHBondContact O-N 2.67Å; A240-H242 PolarHBondContact O-N 3.41Å; A240-A243 PolarHBondContact O-N 3.22Å; A240-L244 WeakPolarHBondContact O-CB 3.46Å; A240-L244 VanDerWaalsContact O-CG 3.28Å; A240-L244 WeakPolarHBondContact O-CG 3.3Å; A240-L244 PolarHBondContact O-N 3.36Å
241	S	96	Very high	95.4	Very high	72 Å²	72	87.4 Å²	87.4	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-40	177.5	-61.2	0	0	0	0	112.3	E237 M238 K239 L244 K245	E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.3Å; E237-S241 PolarHBondContact O-N 3.49Å; E237-S241 PolarHBondContact O-OG 2.86Å; M238-S241 PolarHBondContact O-N 3.03Å; K239-S241 VanDerWaalsContact C-N 3.33Å; S241-L244 PolarHBondContact O-N 2.86Å; S241-K245 WeakPolarHBondContact O-CB 3.48Å; S241-K245 PolarHBondContact O-N 3.45Å
242	H	97.3	Very high	95	Very high	100 Å²	100	86.7 Å²	86.7	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-47.4	174.1	-94.6	-80.4	0	0	0	112.2	M238 K239 A240 L244 K245 E246	M238-H242 PolarHBondContact O-CD2 2.87Å; M238-H242 PolarHBondContact O-N 2.78Å; K239-H242 PolarHBondContact O-N 3.33Å; A240-H242 PolarHBondContact O-N 3.41Å; H242-L244 VanDerWaalsContact C-N 3.32Å; H242-L244 PolarHBondContact O-N 2.94Å; H242-K245 WeakPolarHBondContact O-CB 3.12Å; H242-K245 PolarHBondContact O-N 2.94Å; H242-E246 PolarHBondContact O-N 2.99Å
243	A	95.8	Very high	94.7	Very high	58 Å²	58	89 Å²	89	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-38.7	177.3	0	0	0	0	0	112.2	K239 A240 E246 A247	K239-A243 PolarHBondContact O-N 3.03Å; A240-A243 PolarHBondContact O-N 3.22Å; A243-E246 PolarHBondContact O-N 3.28Å; A243-A247 WeakPolarHBondContact O-CB 3.31Å; A243-A247 PolarHBondContact O-N 3.03Å
244	L	93.5	Very high	94.4	Very high	123 Å²	123	88.9 Å²	88.9	64%	0.644	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-38	174.4	-73.9	172.7	0	0	0	112.2	A240 S241 H242 A247 A248	A240-L244 WeakPolarHBondContact O-CB 3.46Å; A240-L244 VanDerWaalsContact O-CG 3.28Å; A240-L244 WeakPolarHBondContact O-CG 3.3Å; A240-L244 PolarHBondContact O-N 3.36Å; S241-L244 PolarHBondContact O-N 2.86Å; H242-L244 VanDerWaalsContact C-N 3.32Å; H242-L244 PolarHBondContact O-N 2.94Å; L244-A247 PolarHBondContact O-N 3.16Å; L244-A248 WeakPolarHBondContact O-CB 3.44Å; L244-A248 PolarHBondContact O-N 3.23Å
245	K	95.4	Very high	94	Very high	128 Å²	128	90.8 Å²	90.8	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-62.7	-49.5	174.6	179.8	-175.3	172.6	-175	0	111.2	S241 H242 A247 A248 D249	S241-K245 WeakPolarHBondContact O-CB 3.48Å; S241-K245 PolarHBondContact O-N 3.45Å; H242-K245 WeakPolarHBondContact O-CB 3.12Å; H242-K245 PolarHBondContact O-N 2.94Å; K245-A247 VanDerWaalsContact C-N 3.3Å; K245-A247 PolarHBondContact O-N 2.89Å; K245-A248 WeakPolarHBondContact O-CA 3.45Å; K245-A248 WeakPolarHBondContact O-CB 3.24Å; K245-A248 PolarHBondContact O-N 3.36Å; K245-D249 PolarHBondContact O-N 2.82Å
246	E	95.1	Very high	93.7	Very high	128 Å²	128	90.2 Å²	90.2	60%	0.598	52%	0.523	S	S	*	.	H	α-helix	trans	-59.5	-42.5	177.3	-71.1	177.2	-177.8	0	0	111.5	H242 A243 A248 D249 V250	H242-E246 PolarHBondContact O-N 2.99Å; A243-E246 PolarHBondContact O-N 3.28Å; E246-A248 VanDerWaalsContact C-N 3.31Å; E246-A248 PolarHBondContact O-N 3.02Å; E246-D249 PolarHBondContact O-N 2.96Å; E246-V250 WeakPolarHBondContact O-CG2 3.49Å; E246-V250 PolarHBondContact O-N 3.22Å
247	A	92	Very high	93.5	Very high	50 Å²	50	89.8 Å²	89.8	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-37.3	174.2	0	0	0	0	0	112.4	A243 L244 K245 L251	A243-A247 WeakPolarHBondContact O-CB 3.31Å; A243-A247 PolarHBondContact O-N 3.03Å; L244-A247 PolarHBondContact O-N 3.16Å; K245-A247 VanDerWaalsContact C-N 3.3Å; K245-A247 PolarHBondContact O-N 2.89Å; A247-L251 WeakPolarHBondContact O-CB 3.19Å; A247-L251 VanDerWaalsContact O-CG 3.25Å; A247-L251 WeakPolarHBondContact O-CG 3.39Å; A247-L251 PolarHBondContact O-N 3.12Å
248	A	91.7	Very high	93.3	Very high	52 Å²	52	87.4 Å²	87.4	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-41.3	176.2	0	0	0	0	0	112	L244 K245 E246 L251 A252	L244-A248 WeakPolarHBondContact O-CB 3.44Å; L244-A248 PolarHBondContact O-N 3.23Å; K245-A248 WeakPolarHBondContact O-CA 3.45Å; K245-A248 WeakPolarHBondContact O-CB 3.24Å; K245-A248 PolarHBondContact O-N 3.36Å; E246-A248 VanDerWaalsContact C-N 3.31Å; E246-A248 PolarHBondContact O-N 3.02Å; A248-L251 PolarHBondContact O-N 2.77Å; A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.86Å
249	D	93.5	Very high	92.9	Very high	91 Å²	91	88 Å²	88	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-61.6	-44.7	176.5	-67.5	-23.3	0	0	0	110.4	K245 E246 L251 A252 D253	K245-D249 PolarHBondContact O-N 2.82Å; E246-D249 PolarHBondContact O-N 2.96Å; D249-L251 PolarHBondContact O-N 3.26Å; D249-A252 WeakPolarHBondContact O-CB 3.26Å; D249-A252 PolarHBondContact O-N 3.37Å; D249-D253 PolarHBondContact O-N 3.49Å
250	V	91.8	Very high	92.7	Very high	105 Å²	105	86 Å²	86	64%	0.636	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-37.6	174.9	174	0	0	0	0	112.5	E246	E246-V250 WeakPolarHBondContact O-CG2 3.49Å; E246-V250 PolarHBondContact O-N 3.22Å
251	L	90.7	Very high	92.4	Very high	49 Å²	49	90.9 Å²	90.9	26%	0.257	51%	0.511	S	S	.	.	H	α-helix	trans	-70.6	-32.7	175.9	-75	172	0	0	0	112.2	A247 A248 D249 D253 S254 A257 I258	A247-L251 WeakPolarHBondContact O-CB 3.19Å; A247-L251 VanDerWaalsContact O-CG 3.25Å; A247-L251 WeakPolarHBondContact O-CG 3.39Å; A247-L251 PolarHBondContact O-N 3.12Å; A248-L251 PolarHBondContact O-N 2.77Å; D249-L251 PolarHBondContact O-N 3.26Å; L251-D253 VanDerWaalsContact C-N 3.29Å; L251-D253 PolarHBondContact O-N 3.44Å; L251-S254 CarbonylContact O-C 3.58Å; L251-S254 VanDerWaalsContact O-C 3.31Å; L251-S254 PolarHBondContact O-N 3.05Å; L251-S254 VanDerWaalsContact O-N 3.13Å; L251-A257 HydrophobicContact CD2-CB 3.62Å; L251-I258 HydrophobicContact CB-CG1 3.99Å
252	A	88.9	Confident	92	Very high	65 Å²	65	92.3 Å²	92.3	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-33	178.8	0	0	0	0	0	112.2	A248 D249 S254	A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.86Å; D249-A252 WeakPolarHBondContact O-CB 3.26Å; D249-A252 PolarHBondContact O-N 3.37Å; A252-S254 PolarHBondContact O-N 3.1Å
253	D	92.2	Very high	91.7	Very high	145 Å²	145	92.7 Å²	92.7	78%	0.775	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.5	174.2	-71.7	-19.6	0	0	0	113	D249 L251	D249-D253 PolarHBondContact O-N 3.49Å; L251-D253 VanDerWaalsContact C-N 3.29Å; L251-D253 PolarHBondContact O-N 3.44Å
254	S	91.2	Very high	91.4	Very high	52 Å²	52	95.6 Å²	95.6	36%	0.364	52%	0.518	S	S	.	.			trans	-133.3	95	-179.3	-175.1	0	0	0	0	112.5	L251 A252 V256 A257	L251-S254 CarbonylContact O-C 3.58Å; L251-S254 VanDerWaalsContact O-C 3.31Å; L251-S254 PolarHBondContact O-N 3.05Å; L251-S254 VanDerWaalsContact O-N 3.13Å; A252-S254 PolarHBondContact O-N 3.1Å; S254-V256 PolarHBondContact O-N 2.99Å; S254-V256 VanDerWaalsContact O-N 3.11Å; S254-A257 VanDerWaalsContact O-CB 3.29Å; S254-A257 WeakPolarHBondContact O-CB 3.45Å; S254-A257 PolarHBondContact O-N 3.09Å
255	P	87.6	Confident	91.2	Very high	95 Å²	95	91.8 Å²	91.8	62%	0.617	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-26.3	-176.5	23	-33.2	0	0	0	113.6	A257 I258 Q259	P255-A257 VanDerWaalsContact C-N 3.32Å; P255-I258 PolarHBondContact O-N 3.41Å; P255-Q259 PolarHBondContact O-N 2.71Å
256	V	92.6	Very high	90.6	Very high	90 Å²	90	88.3 Å²	88.3	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-67.4	-34	174.3	-177.2	0	0	0	0	111.1	S254 I258 Q259 L260	S254-V256 PolarHBondContact O-N 2.99Å; S254-V256 VanDerWaalsContact O-N 3.11Å; V256-I258 VanDerWaalsContact C-N 3.35Å; V256-I258 PolarHBondContact O-N 3.24Å; V256-Q259 PolarHBondContact O-N 3.02Å; V256-L260 WeakPolarHBondContact O-CG 3.35Å; V256-L260 PolarHBondContact O-N 3.07Å
257	A	92.1	Very high	90.1	Very high	27 Å²	27	86 Å²	86	22%	0.223	49%	0.49	C	S	.	.	H	α-helix	trans	-65.9	-36.7	177.7	0	0	0	0	0	112.2	L251 S254 P255 L260 R261	L251-A257 HydrophobicContact CD2-CB 3.62Å; S254-A257 VanDerWaalsContact O-CB 3.29Å; S254-A257 WeakPolarHBondContact O-CB 3.45Å; S254-A257 PolarHBondContact O-N 3.09Å; P255-A257 VanDerWaalsContact C-N 3.32Å; A257-L260 PolarHBondContact O-N 3.44Å; A257-R261 WeakPolarHBondContact O-CB 3Å; A257-R261 PolarHBondContact O-N 2.81Å
258	I	92.3	Very high	89.8	Confident	88 Å²	88	86.9 Å²	86.9	45%	0.451	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-43	174.1	-65.7	172.7	0	0	0	110.9	L251 P255 V256 R261 H262	L251-I258 HydrophobicContact CB-CG1 3.99Å; P255-I258 PolarHBondContact O-N 3.41Å; V256-I258 VanDerWaalsContact C-N 3.35Å; V256-I258 PolarHBondContact O-N 3.24Å; I258-R261 PolarHBondContact O-N 3Å; I258-H262 WeakPolarHBondContact O-CB 3.37Å; I258-H262 PolarHBondContact O-N 3.17Å
259	Q	89.4	Confident	89.4	Confident	132 Å²	132	88 Å²	88	62%	0.617	49%	0.49	S	S	*	.	H	α-helix	trans	-63.8	-42.7	176.7	-68.4	-178.2	-5	0	0	112.1	P255 V256 H262 L263	P255-Q259 PolarHBondContact O-N 2.71Å; V256-Q259 PolarHBondContact O-N 3.02Å; Q259-H262 PolarHBondContact O-N 3.43Å; Q259-L263 WeakPolarHBondContact O-CG 3.42Å; Q259-L263 PolarHBondContact O-N 3.17Å
260	L	91.8	Very high	88.6	Confident	104 Å²	104	86.7 Å²	86.7	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.5	-69.4	174.3	0	0	0	111.7	V256 A257 H262 L263 Q264	V256-L260 WeakPolarHBondContact O-CG 3.35Å; V256-L260 PolarHBondContact O-N 3.07Å; A257-L260 PolarHBondContact O-N 3.44Å; L260-H262 VanDerWaalsContact C-N 3.33Å; L260-H262 PolarHBondContact O-N 3.46Å; L260-L263 PolarHBondContact O-N 2.75Å; L260-Q264 WeakPolarHBondContact O-CG 3.38Å; L260-Q264 PolarHBondContact O-N 2.97Å
261	R	90	Very high	88	Confident	155 Å²	155	85.3 Å²	85.3	59%	0.585	49%	0.492	S	S	*	.	H	α-helix	trans	-62.1	-39.6	175.1	-171.6	70.7	173.8	173.4	-0.3	111.6	A257 I258 Q264 A265	A257-R261 WeakPolarHBondContact O-CB 3Å; A257-R261 PolarHBondContact O-N 2.81Å; I258-R261 PolarHBondContact O-N 3Å; R261-Q264 PolarHBondContact O-N 3.41Å; R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 2.9Å
262	H	88.2	Confident	87.6	Confident	101 Å²	101	90.6 Å²	90.6	47%	0.468	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-45.3	175.7	-171.3	54.3	0	0	0	111.7	I258 Q259 L260 Q264 A265 L266	I258-H262 WeakPolarHBondContact O-CB 3.37Å; I258-H262 PolarHBondContact O-N 3.17Å; Q259-H262 PolarHBondContact O-N 3.43Å; L260-H262 VanDerWaalsContact C-N 3.33Å; L260-H262 PolarHBondContact O-N 3.46Å; H262-Q264 VanDerWaalsContact C-N 3.34Å; H262-Q264 PolarHBondContact O-N 2.95Å; H262-A265 PolarHBondContact O-N 3.16Å; H262-L266 WeakPolarHBondContact O-CG 3.34Å; H262-L266 PolarHBondContact O-N 3.48Å
263	L	90.4	Very high	86.7	Confident	108 Å²	108	96 Å²	96	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-62.9	-38.2	174.7	-68.7	174.2	0	0	0	112.4	Q259 L260 L266 S267	Q259-L263 WeakPolarHBondContact O-CG 3.42Å; Q259-L263 PolarHBondContact O-N 3.17Å; L260-L263 PolarHBondContact O-N 2.75Å; L263-L266 HydrophobicContact CD2-CD1 4.44Å; L263-L266 PolarHBondContact O-N 3.4Å; L263-S267 WeakPolarHBondContact O-CB 3.41Å; L263-S267 PolarHBondContact O-N 3.42Å
264	Q	89	Confident	85.1	Confident	119 Å²	119	94 Å²	94	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-62.7	-45.1	173.3	-77.1	179.8	-19.9	0	0	112	L260 R261 H262 L266 S267 S268	L260-Q264 WeakPolarHBondContact O-CG 3.38Å; L260-Q264 PolarHBondContact O-N 2.97Å; R261-Q264 PolarHBondContact O-N 3.41Å; H262-Q264 VanDerWaalsContact C-N 3.34Å; H262-Q264 PolarHBondContact O-N 2.95Å; Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-L266 PolarHBondContact O-N 2.91Å; Q264-S267 WeakPolarHBondContact O-CB 3.28Å; Q264-S267 PolarHBondContact O-N 3.26Å; Q264-S268 PolarHBondContact O-N 2.94Å; Q264-S268 PolarHBondContact O-OG 2.86Å
265	A	89.4	Confident	83.6	Confident	43 Å²	43	97.1 Å²	97.1	36%	0.355	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-39.6	176.5	0	0	0	0	0	112	R261 H262 S267 S268 I269	R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 2.9Å; H262-A265 PolarHBondContact O-N 3.16Å; A265-S267 VanDerWaalsContact C-N 3.35Å; A265-S268 WeakPolarHBondContact CA-OG 3.46Å; A265-S268 PolarHBondContact O-N 2.85Å; A265-S268 PolarHBondContact O-OG 3.22Å; A265-I269 WeakPolarHBondContact O-CD1 3.33Å; A265-I269 VanDerWaalsContact O-CG1 3.24Å; A265-I269 WeakPolarHBondContact O-CG1 3.48Å; A265-I269 PolarHBondContact O-N 3.33Å
266	L	83.1	Confident	82.7	Confident	55 Å²	55	97.1 Å²	97.1	29%	0.288	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-41.4	173.5	-71.3	174	0	0	0	111.6	H262 L263 Q264 S268 I269 A270	H262-L266 WeakPolarHBondContact O-CG 3.34Å; H262-L266 PolarHBondContact O-N 3.48Å; L263-L266 HydrophobicContact CD2-CD1 4.44Å; L263-L266 PolarHBondContact O-N 3.4Å; Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-L266 PolarHBondContact O-N 2.91Å; L266-S268 VanDerWaalsContact C-N 3.34Å; L266-S268 PolarHBondContact O-N 3.06Å; L266-I269 PolarHBondContact O-N 3.44Å; L266-A270 WeakPolarHBondContact O-CB 3.33Å; L266-A270 PolarHBondContact O-N 3.05Å
267	S	85.2	Confident	81.3	Confident	81 Å²	81	98.3 Å²	98.3	57%	0.566	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-38.1	176.1	-173.2	0	0	0	0	112.3	L263 Q264 A265 A271	L263-S267 WeakPolarHBondContact O-CB 3.41Å; L263-S267 PolarHBondContact O-N 3.42Å; Q264-S267 WeakPolarHBondContact O-CB 3.28Å; Q264-S267 PolarHBondContact O-N 3.26Å; A265-S267 VanDerWaalsContact C-N 3.35Å; S267-A271 WeakPolarHBondContact O-CB 3.34Å; S267-A271 PolarHBondContact O-N 3.19Å
268	S	85.5	Confident	80	Confident	67 Å²	67	102.8 Å²	102.8	47%	0.469	57%	0.566	S	S	.	*	H	α-helix	trans	-69.4	-40.2	176.2	56.7	0	0	0	0	112.1	Q264 A265 L266 A270 A271 E272	Q264-S268 PolarHBondContact O-N 2.94Å; Q264-S268 PolarHBondContact O-OG 2.86Å; A265-S268 WeakPolarHBondContact CA-OG 3.46Å; A265-S268 PolarHBondContact O-N 2.85Å; A265-S268 PolarHBondContact O-OG 3.22Å; L266-S268 VanDerWaalsContact C-N 3.34Å; L266-S268 PolarHBondContact O-N 3.06Å; S268-A270 VanDerWaalsContact C-N 3.35Å; S268-A270 PolarHBondContact O-N 3.26Å; S268-A271 PolarHBondContact O-N 2.96Å; S268-E272 PolarHBondContact O-N 2.88Å
269	I	82.3	Confident	78.7	Confident	75 Å²	75	104.9 Å²	104.9	39%	0.385	57%	0.571	S	S	.	*	H	α-helix	trans	-64.1	-41.4	176	-67	163.7	0	0	0	110.8	A265 L266 A271 E272	A265-I269 WeakPolarHBondContact O-CD1 3.33Å; A265-I269 VanDerWaalsContact O-CG1 3.24Å; A265-I269 WeakPolarHBondContact O-CG1 3.48Å; A265-I269 PolarHBondContact O-N 3.33Å; L266-I269 PolarHBondContact O-N 3.44Å; I269-A271 VanDerWaalsContact C-N 3.29Å; I269-A271 PolarHBondContact O-N 3.41Å; I269-E272 PolarHBondContact O-N 2.83Å
270	A	77.4	Confident	77.5	Confident	64 Å²	64	103.4 Å²	103.4	53%	0.529	57%	0.574	S	S	.	*	H	α-helix	trans	-65.5	-32.7	176.2	0	0	0	0	0	112.4	L266 S268 Q273	L266-A270 WeakPolarHBondContact O-CB 3.33Å; L266-A270 PolarHBondContact O-N 3.05Å; S268-A270 VanDerWaalsContact C-N 3.35Å; S268-A270 PolarHBondContact O-N 3.26Å; A270-Q273 PolarHBondContact O-N 3.5Å
271	A	79.4	Confident	76.3	Confident	77 Å²	77	101.1 Å²	101.1	64%	0.636	56%	0.564	S	S	*	*	H	α-helix	trans	-71.2	-31.2	177.6	0	0	0	0	0	113.2	S267 S268 I269 Q273	S267-A271 WeakPolarHBondContact O-CB 3.34Å; S267-A271 PolarHBondContact O-N 3.19Å; S268-A271 PolarHBondContact O-N 2.96Å; I269-A271 VanDerWaalsContact C-N 3.29Å; I269-A271 PolarHBondContact O-N 3.41Å; A271-Q273 PolarHBondContact O-N 2.95Å; A271-Q273 VanDerWaalsContact O-N 3.09Å
272	E	81.1	Confident	75.1	Confident	159 Å²	159	97.3 Å²	97.3	74%	0.743	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	5.3	175.8	-75	-166.1	169.4	0	0	114.1	S268 I269 N274	S268-E272 PolarHBondContact O-N 2.88Å; I269-E272 PolarHBondContact O-N 2.83Å; E272-N274 PolarHBondContact O-N 3.45Å; E272-N274 VanDerWaalsContact O-N 3.13Å
273	Q	70	Confident	74.3	Confident	179 Å²	179	99.1 Å²	99.1	84%	0.836	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.8	27.6	-178.1	-57.8	-176.8	-3.4	0	0	113.5	A270 A271 S275	A270-Q273 PolarHBondContact O-N 3.5Å; A271-Q273 PolarHBondContact O-N 2.95Å; A271-Q273 VanDerWaalsContact O-N 3.09Å; Q273-S275 PolarHBondContact O-N 3.01Å; Q273-S275 VanDerWaalsContact O-N 3.15Å
274	N	60.2	Low	73.3	Confident	102 Å²	102	100.7 Å²	100.7	55%	0.545	58%	0.58	S	S	.	*			trans	-73	112.5	179.7	-139.5	6	0	0	0	108.8	E272 T276	E272-N274 PolarHBondContact O-N 3.45Å; E272-N274 VanDerWaalsContact O-N 3.13Å; N274-T276 PolarHBondContact O-N 3.29Å
275	S	58.3	Low	72	Confident	118 Å²	118	99.6 Å²	99.6	83%	0.825	58%	0.577	S	S	*	*	S	Bend	trans	-69.8	-2.9	-167.9	71.5	0	0	0	0	115	Q273	Q273-S275 PolarHBondContact O-N 3.01Å; Q273-S275 VanDerWaalsContact O-N 3.15Å
276	T	68.5	Low	70.8	Confident	95 Å²	95	103 Å²	103	58%	0.583	58%	0.584	S	S	*	*			trans	-122.1	94.3	-178.3	-52.8	0	0	0	0	110.1	N274 V278	N274-T276 PolarHBondContact O-N 3.29Å; T276-V278 HydrophobicContact CG2-CG2 3.91Å; T276-V278 PolarHBondContact O-N 3.4Å
277	I	63.8	Low	69.7	Low	115 Å²	115	102.1 Å²	102.1	59%	0.59	59%	0.588	S	S	*	*			trans	-81.6	97.5	171.2	-57.8	172.1	0	0	0	107.3	F279	I277-F279 PolarHBondContact O-N 3.19Å
278	V	65.5	Low	68.6	Low	122 Å²	122	101.8 Å²	101.8	74%	0.739	59%	0.586	S	S	*	*			trans	-79.1	105.6	173.3	-177.6	0	0	0	0	108.1	T276 P280	T276-V278 HydrophobicContact CG2-CG2 3.91Å; T276-V278 PolarHBondContact O-N 3.4Å; V278-P280 WeakPolarHBondContact O-CD 3.42Å
279	F	64.1	Low	67.4	Low	131 Å²	131	106.1 Å²	106.1	58%	0.575	60%	0.596	S	S	*	*			trans	-97.7	111.5	179.2	-167	-91.4	0	0	0	110	I277 V281	I277-F279 PolarHBondContact O-N 3.19Å; F279-V281 HydrophobicContact CD1-CB 4.48Å; F279-V281 HydrophobicContact CD1-CG2 3.54Å; F279-V281 HydrophobicContact CE1-CG2 3.98Å; F279-V281 PolarHBondContact O-N 3.48Å
280	P	63.8	Low	66.2	Low	102 Å²	102	109 Å²	109	66%	0.662	61%	0.612	S	S	*	*			trans	-75.5	95	174.6	29.3	-31.1	0	0	0	109.2	V278	V278-P280 WeakPolarHBondContact O-CD 3.42Å
281	V	67.9	Low	65.2	Low	56 Å²	56	111.8 Å²	111.8	34%	0.339	61%	0.614	S	S	.	*			trans	-76.5	127.4	168.5	-166.8	0	0	0	0	107.8	F279 I283 L285 F286	F279-V281 HydrophobicContact CD1-CB 4.48Å; F279-V281 HydrophobicContact CD1-CG2 3.54Å; F279-V281 HydrophobicContact CE1-CG2 3.98Å; F279-V281 PolarHBondContact O-N 3.48Å; V281-I283 PolarHBondContact O-N 3.05Å; V281-L285 HydrophobicContact CG1-CB 3.98Å; V281-L285 HydrophobicContact CG1-CD1 3.72Å; V281-L285 HydrophobicContact CG1-CG 4.46Å; V281-F286 HydrophobicContact CB-CE2 4.05Å; V281-F286 HydrophobicContact CG1-CE2 4.19Å
282	P	63.3	Low	64	Low	74 Å²	74	114.5 Å²	114.5	48%	0.481	61%	0.611	S	S	.	*			trans	-54.2	129.9	172	-15.2	21	0	0	0	110.1	D284 L285	P282-D284 PolarHBondContact O-N 3.05Å; P282-L285 HydrophobicContact CG-CD1 4.35Å; P282-L285 WeakPolarHBondContact O-CB 3.47Å; P282-L285 PolarHBondContact O-N 2.9Å
283	I	71.8	Confident	62.9	Low	140 Å²	140	112.8 Å²	112.8	72%	0.718	61%	0.607	S	S	*	*	H	α-helix	trans	-59.2	-24.3	-178.8	-66.2	158.7	0	0	0	111.5	V281 L285 F286 G287	V281-I283 PolarHBondContact O-N 3.05Å; I283-L285 PolarHBondContact O-N 3.39Å; I283-F286 WeakPolarHBondContact O-CA 3.29Å; I283-F286 WeakPolarHBondContact O-CB 3.34Å; I283-F286 PolarHBondContact O-N 3.33Å; I283-G287 PolarHBondContact O-N 3.07Å
284	D	69.5	Low	62.1	Low	141 Å²	141	112.1 Å²	112.1	75%	0.754	60%	0.601	S	S	*	*	H	α-helix	trans	-58.2	-31.2	175	-63.2	-32.4	0	0	0	113.4	P282 F286 G287 S288	P282-D284 PolarHBondContact O-N 3.05Å; D284-F286 VanDerWaalsContact C-N 3.3Å; D284-F286 PolarHBondContact O-N 3.35Å; D284-G287 PolarHBondContact O-N 2.96Å; D284-S288 PolarHBondContact O-N 3.21Å
285	L	62.8	Low	61.8	Low	95 Å²	95	115 Å²	115	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-62.2	-39.5	173	-97.2	148.7	0	0	0	110.9	V281 P282 I283 S288	V281-L285 HydrophobicContact CG1-CB 3.98Å; V281-L285 HydrophobicContact CG1-CD1 3.72Å; V281-L285 HydrophobicContact CG1-CG 4.46Å; P282-L285 HydrophobicContact CG-CD1 4.35Å; P282-L285 WeakPolarHBondContact O-CB 3.47Å; P282-L285 PolarHBondContact O-N 2.9Å; I283-L285 PolarHBondContact O-N 3.39Å; L285-S288 PolarHBondContact O-OG 3.37Å
286	F	62.5	Low	61.8	Low	116 Å²	116	115.8 Å²	115.8	51%	0.509	60%	0.595	S	S	.	*	H	α-helix	trans	-73.2	-31.7	174.6	-63.4	-73.7	0	0	0	112.6	V281 I283 D284 S288 F289 L290	V281-F286 HydrophobicContact CB-CE2 4.05Å; V281-F286 HydrophobicContact CG1-CE2 4.19Å; I283-F286 WeakPolarHBondContact O-CA 3.29Å; I283-F286 WeakPolarHBondContact O-CB 3.34Å; I283-F286 PolarHBondContact O-N 3.33Å; D284-F286 VanDerWaalsContact C-N 3.3Å; D284-F286 PolarHBondContact O-N 3.35Å; F286-S288 PolarHBondContact O-N 3.49Å; F286-F289 PolarHBondContact O-N 2.8Å; F286-F289 VanDerWaalsContact O-N 3.09Å; F286-L290 PolarHBondContact O-N 3.23Å
287	G	61.8	Low	61.3	Low	35 Å²	35	115.6 Å²	115.6	36%	0.361	59%	0.594	S	S	.	*	H	α-helix	trans	-58.1	-36.8	176	0	0	0	0	0	112.8	I283 D284 F289 L290 H291	I283-G287 PolarHBondContact O-N 3.07Å; D284-G287 PolarHBondContact O-N 2.96Å; G287-F289 VanDerWaalsContact C-N 3.32Å; G287-F289 PolarHBondContact O-N 3.32Å; G287-L290 PolarHBondContact O-N 2.9Å; G287-H291 WeakPolarHBondContact O-CB 3.27Å; G287-H291 PolarHBondContact O-N 2.97Å
288	S	60.6	Low	60.9	Low	75 Å²	75	113.2 Å²	113.2	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-67.2	-30.5	176.9	72.8	0	0	0	0	113.6	D284 L285 F286	D284-S288 PolarHBondContact O-N 3.21Å; L285-S288 PolarHBondContact O-OG 3.37Å; F286-S288 PolarHBondContact O-N 3.49Å
289	F	60.6	Low	60.6	Low	157 Å²	157	112.9 Å²	112.9	69%	0.689	58%	0.581	S	S	*	*	H	α-helix	trans	-79.2	-41	173.8	-80.7	-83.4	0	0	0	112.4	F286 G287 H291 K292	F286-F289 PolarHBondContact O-N 2.8Å; F286-F289 VanDerWaalsContact O-N 3.09Å; G287-F289 VanDerWaalsContact C-N 3.32Å; G287-F289 PolarHBondContact O-N 3.32Å; F289-H291 VanDerWaalsContact C-N 3.28Å; F289-H291 PolarHBondContact O-N 3.23Å; F289-K292 PolarHBondContact O-N 3.35Å
290	L	58.2	Low	60.3	Low	135 Å²	135	109.6 Å²	109.6	71%	0.707	58%	0.577	S	S	*	*	H	α-helix	trans	-65.6	-29.6	177.2	-98.9	145.4	0	0	0	113	F286 G287 K292	F286-L290 PolarHBondContact O-N 3.23Å; G287-L290 PolarHBondContact O-N 2.9Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 3.38Å
291	H	55.6	Low	59.9	Low	124 Å²	124	112 Å²	112	57%	0.574	58%	0.58	S	S	*	*	H	α-helix	trans	-80.6	-9.2	177.9	-157.3	76.1	0	0	0	114.1	G287 F289	G287-H291 WeakPolarHBondContact O-CB 3.27Å; G287-H291 PolarHBondContact O-N 2.97Å; F289-H291 VanDerWaalsContact C-N 3.28Å; F289-H291 PolarHBondContact O-N 3.23Å
292	K	55.2	Low	59.4	Low	134 Å²	134	116.1 Å²	116.1	58%	0.583	60%	0.598	S	S	*	*	H	α-helix	trans	-80.4	-32.4	175.7	-163.9	170.2	177.2	-178.3	0	112.2	F289 L290 K294 R295	F289-K292 PolarHBondContact O-N 3.35Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 3.38Å; K292-K294 PolarHBondContact O-N 3.38Å; K292-R295 PolarHBondContact O-N 2.95Å
293	D	56.5	Low	59	Low	122 Å²	122	120.1 Å²	120.1	65%	0.652	61%	0.613	S	S	*	*	H	α-helix	trans	-70.2	-30.4	-175.3	-157.6	26.3	0	0	0	113.3	R295 T297	D293-R295 VanDerWaalsContact C-N 3.33Å; D293-R295 PolarHBondContact O-N 3.46Å; D293-T297 PolarHBondContact O-OG1 3.43Å
294	K	53.1	Low	57.9	Low	166 Å²	166	123.4 Å²	123.4	72%	0.722	63%	0.631	S	S	*	*	H	α-helix	trans	-73.2	-17.6	177.6	-88.6	-173.6	176.4	-178.9	0	115.1	K292	K292-K294 PolarHBondContact O-N 3.38Å
295	R	55.6	Low	57.3	Low	163 Å²	163	122.5 Å²	122.5	62%	0.615	63%	0.625	S	S	*	*	H	α-helix	trans	-86.5	-25.5	-179.1	-85.4	-170.4	-72.4	159	-3.9	113.5	K292 D293	K292-R295 PolarHBondContact O-N 2.95Å; D293-R295 VanDerWaalsContact C-N 3.33Å; D293-R295 PolarHBondContact O-N 3.46Å
296	E	57.3	Low	57	Low	133 Å²	133	123.9 Å²	123.9	62%	0.621	63%	0.632	S	S	*	*	H	α-helix	trans	-74.7	-32.1	177.5	-71.6	-175.3	-179.3	0	0	111.8	S298 I299 A300	E296-S298 VanDerWaalsContact C-N 3.32Å; E296-S298 PolarHBondContact O-N 2.68Å; E296-I299 PolarHBondContact O-N 2.97Å; E296-A300 PolarHBondContact O-N 3.06Å
297	T	58.2	Low	56.7	Low	91 Å²	91	124.4 Å²	124.4	56%	0.558	64%	0.639	S	S	*	*	H	α-helix	trans	-69	-29.2	175.8	-5.8	0	0	0	0	113.2	D293	D293-T297 PolarHBondContact O-OG1 3.43Å
298	S	55.7	Low	56.4	Low	66 Å²	66	129.6 Å²	129.6	46%	0.462	66%	0.655	S	S	.	*	H	α-helix	trans	-78.2	-21.9	180	-162.4	0	0	0	0	113.5	E296	E296-S298 VanDerWaalsContact C-N 3.32Å; E296-S298 PolarHBondContact O-N 2.68Å
299	I	58.9	Low	56.1	Low	115 Å²	115	133.1 Å²	133.1	59%	0.59	66%	0.663	S	S	*	*	H	α-helix	trans	-79.6	-35	174.9	-66.3	177.2	0	0	0	110.4	E296 Q301 I302	E296-I299 PolarHBondContact O-N 2.97Å; I299-Q301 VanDerWaalsContact C-N 3.29Å; I299-Q301 PolarHBondContact O-N 3.21Å; I299-I302 PolarHBondContact O-N 3.37Å
300	A	58.4	Low	55.8	Low	61 Å²	61	131.5 Å²	131.5	50%	0.504	66%	0.662	S	S	.	*	H	α-helix	trans	-62.3	-34.5	175.7	0	0	0	0	0	112.7	E296 I302	E296-A300 PolarHBondContact O-N 3.06Å; A300-I302 VanDerWaalsContact C-N 3.32Å; A300-I302 PolarHBondContact O-N 3.29Å
301	Q	55.2	Low	55.7	Low	154 Å²	154	131.2 Å²	131.2	72%	0.72	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-6.6	179.7	-72.2	-170.8	-42.7	0	0	115.3	I299	I299-Q301 VanDerWaalsContact C-N 3.29Å; I299-Q301 PolarHBondContact O-N 3.21Å
302	I	57.2	Low	55.7	Low	141 Å²	141	131.8 Å²	131.8	72%	0.723	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-12.4	176.6	-65.3	173.1	0	0	0	111.2	I299 A300	I299-I302 PolarHBondContact O-N 3.37Å; A300-I302 VanDerWaalsContact C-N 3.32Å; A300-I302 PolarHBondContact O-N 3.29Å
303	M	55.4	Low	55.7	Low	159 Å²	159	131.6 Å²	131.6	78%	0.783	67%	0.672	S	S	*	*			trans	-99.9	-3.2	179.4	-71.8	-172.9	65.6	0	0	114.8
304	D	46.9	Very low	55.6	Low	208 Å²	208	132.5 Å²	132.5	100%	1.112	67%	0.674	S	S	*	*			trans	-108.2	0	167.8	-77.5	-22.3	0	0	0	110.5

Retrieved 304 of 304 residues in 288.2 ms (Link to these results)

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