G4VMG2_SCHMA Loading...

Venom allergen-like (VAL) 25 protein

AlphaFold DB , UniProt , Accession G4VMG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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	43.7	Very low	65.5	Low	243 Å²	243	128.5 Å²	128.5	100%	1.197	68%	0.682	S	S	*	*				0	94.8	0	-62.6	176.7	-162.3	0	0	107.9
2	T	56	Low	66.2	Low	124 Å²	124	133.3 Å²	133.3	76%	0.761	68%	0.683	S	S	*	*			trans	-136.4	9.8	-178.4	41.7	0	0	0	0	113.7	S4	T2-S4 VanDerWaalsContact C-N 3.33Å; T2-S4 PolarHBondContact O-N 2.66Å
3	A	54.8	Low	66.6	Low	77 Å²	77	130.7 Å²	130.7	64%	0.636	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-7.1	-173	0	0	0	0	0	115.9
4	S	64.2	Low	66.9	Low	91 Å²	91	126.3 Å²	126.3	64%	0.636	65%	0.651	S	S	*	*	H	α-helix	trans	-88.6	-29.1	-171.6	176.6	0	0	0	0	115	T2 T8	T2-S4 VanDerWaalsContact C-N 3.33Å; T2-S4 PolarHBondContact O-N 2.66Å; S4-T8 PolarHBondContact O-OG1 2.62Å
5	S	65.9	Low	66.9	Low	89 Å²	89	124.2 Å²	124.2	62%	0.622	64%	0.64	S	S	*	*	H	α-helix	trans	-76.7	-31.5	-175.5	61.6	0	0	0	0	113.2	R9	S5-R9 PolarHBondContact O-N 3.12Å
6	T	67.7	Low	66.8	Low	92 Å²	92	122.3 Å²	122.3	56%	0.564	64%	0.636	S	S	*	*	H	α-helix	trans	-69.6	-41.5	-179.4	28.7	0	0	0	0	113	T8 R9 Y10	T6-T8 PolarHBondContact O-N 3.35Å; T6-R9 PolarHBondContact O-N 3.5Å; T6-Y10 PolarHBondContact O-N 3.4Å; T6-Y10 VanDerWaalsContact O-N 3.08Å
7	E	69.1	Low	66.7	Low	142 Å²	142	121.9 Å²	121.9	66%	0.664	64%	0.635	S	S	*	*	H	α-helix	trans	-63.4	-42.7	177.2	-70.6	-175	159.9	0	0	111.5	R9 Y10 Q11	E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.48Å; E7-Y10 PolarHBondContact O-N 2.93Å; E7-Q11 PolarHBondContact O-N 3.45Å
8	T	77.2	Confident	66.5	Low	73 Å²	73	121.6 Å²	121.6	45%	0.448	63%	0.633	S	S	.	*	H	α-helix	trans	-62.7	-38.2	179.5	-45.6	0	0	0	0	112	S4 T6 R12	S4-T8 PolarHBondContact O-OG1 2.62Å; T6-T8 PolarHBondContact O-N 3.35Å; T8-R12 WeakPolarHBondContact O-CG 3.45Å; T8-R12 PolarHBondContact O-N 3.32Å; T8-R12 VanDerWaalsContact O-N 3.16Å
9	R	75.4	Confident	66.3	Low	174 Å²	174	121.9 Å²	121.9	66%	0.657	64%	0.635	S	S	*	*	H	α-helix	trans	-67.9	-42.5	175.7	-177.5	179.2	171.5	-177.7	-1.3	111.5	S5 T6 E7 R12 M13	S5-R9 PolarHBondContact O-N 3.12Å; T6-R9 PolarHBondContact O-N 3.5Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.48Å; R9-R12 PolarHBondContact O-N 3.47Å; R9-M13 HydrophobicContact CG-SD 4.29Å; R9-M13 WeakPolarHBondContact O-CG 3.4Å; R9-M13 PolarHBondContact O-N 2.86Å
10	Y	73	Confident	65.9	Low	173 Å²	173	118.2 Å²	118.2	68%	0.678	63%	0.627	S	S	*	*	H	α-helix	trans	-62.9	-45.1	178.4	-129.7	-91.2	0	0	0	111.2	T6 E7 R12 M13 V14	T6-Y10 PolarHBondContact O-N 3.4Å; T6-Y10 VanDerWaalsContact O-N 3.08Å; E7-Y10 PolarHBondContact O-N 2.93Å; Y10-R12 PolarHBondContact O-N 3.15Å; Y10-M13 PolarHBondContact O-N 3.34Å; Y10-V14 HydrophobicContact CD1-CG2 4.22Å; Y10-V14 VanDerWaalsContact O-CG2 3.31Å; Y10-V14 WeakPolarHBondContact O-CG2 3.35Å; Y10-V14 PolarHBondContact O-N 3.48Å
11	Q	73.4	Confident	65.7	Low	136 Å²	136	118.2 Å²	118.2	64%	0.636	63%	0.627	S	S	*	*	H	α-helix	trans	-65.9	-38.1	-179.8	-163.7	149.3	-20.4	0	0	112.4	E7 L15	E7-Q11 PolarHBondContact O-N 3.45Å; Q11-L15 HydrophobicContact CG-CD1 4.08Å; Q11-L15 WeakPolarHBondContact O-CB 3.43Å; Q11-L15 WeakPolarHBondContact O-CD1 3.39Å; Q11-L15 PolarHBondContact O-N 3.19Å
12	R	73.6	Confident	66.3	Low	185 Å²	185	111.9 Å²	111.9	70%	0.698	61%	0.605	S	S	*	*	H	α-helix	trans	-64.6	-43.7	171.9	-74.9	-179.3	176.7	-169.4	-0.7	112.3	T8 R9 Y10 L15 T16	T8-R12 WeakPolarHBondContact O-CG 3.45Å; T8-R12 PolarHBondContact O-N 3.32Å; T8-R12 VanDerWaalsContact O-N 3.16Å; R9-R12 PolarHBondContact O-N 3.47Å; Y10-R12 PolarHBondContact O-N 3.15Å; R12-L15 PolarHBondContact O-N 3.44Å; R12-T16 PolarHBondContact O-N 2.86Å; R12-T16 PolarHBondContact O-OG1 2.95Å; R12-T16 VanDerWaalsContact O-OG1 3.04Å
13	M	72.2	Confident	66.3	Low	100 Å²	100	112 Å²	112	49%	0.493	61%	0.605	S	S	.	*	H	α-helix	trans	-62.2	-44.4	176.9	-81.2	177.7	129	0	0	111.6	R9 Y10 T16 L17	R9-M13 HydrophobicContact CG-SD 4.29Å; R9-M13 WeakPolarHBondContact O-CG 3.4Å; R9-M13 PolarHBondContact O-N 2.86Å; Y10-M13 PolarHBondContact O-N 3.34Å; M13-T16 WeakPolarHBondContact CA-OG1 3.43Å; M13-T16 PolarHBondContact O-N 2.87Å; M13-T16 PolarHBondContact O-OG1 3.3Å; M13-L17 WeakPolarHBondContact O-CB 3.16Å; M13-L17 PolarHBondContact O-N 3.31Å
14	V	69.9	Low	66.3	Low	69 Å²	69	114.2 Å²	114.2	42%	0.418	61%	0.611	S	S	.	*	H	α-helix	trans	-63.4	-45	176.4	172.8	0	0	0	0	110.9	Y10 T16 L17 L18	Y10-V14 HydrophobicContact CD1-CG2 4.22Å; Y10-V14 VanDerWaalsContact O-CG2 3.31Å; Y10-V14 WeakPolarHBondContact O-CG2 3.35Å; Y10-V14 PolarHBondContact O-N 3.48Å; V14-T16 PolarHBondContact O-N 3.32Å; V14-L17 PolarHBondContact O-N 3.34Å; V14-L18 HydrophobicContact CG1-CD1 3.69Å; V14-L18 HydrophobicContact CG1-CG 4.15Å; V14-L18 WeakPolarHBondContact O-CB 3.28Å; V14-L18 VanDerWaalsContact O-CG 3.23Å; V14-L18 WeakPolarHBondContact O-CG 3.49Å; V14-L18 PolarHBondContact O-N 2.94Å
15	L	67.2	Low	65.7	Low	95 Å²	95	112.9 Å²	112.9	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-60.6	-42.7	174.9	-100.6	116.7	0	0	0	112.3	Q11 R12 L18 L19	Q11-L15 HydrophobicContact CG-CD1 4.08Å; Q11-L15 WeakPolarHBondContact O-CB 3.43Å; Q11-L15 WeakPolarHBondContact O-CD1 3.39Å; Q11-L15 PolarHBondContact O-N 3.19Å; R12-L15 PolarHBondContact O-N 3.44Å; L15-L18 PolarHBondContact O-N 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 PolarHBondContact O-N 2.82Å
16	T	65.1	Low	65.1	Low	94 Å²	94	111.1 Å²	111.1	58%	0.577	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-35.4	176	49	0	0	0	0	112.7	R12 M13 V14 G20	R12-T16 PolarHBondContact O-N 2.86Å; R12-T16 PolarHBondContact O-OG1 2.95Å; R12-T16 VanDerWaalsContact O-OG1 3.04Å; M13-T16 WeakPolarHBondContact CA-OG1 3.43Å; M13-T16 PolarHBondContact O-N 2.87Å; M13-T16 PolarHBondContact O-OG1 3.3Å; V14-T16 PolarHBondContact O-N 3.32Å; T16-G20 PolarHBondContact O-N 3.32Å
17	L	65.9	Low	64.6	Low	116 Å²	116	112.7 Å²	112.7	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-69.3	-42.3	175.9	-130.6	89.7	0	0	0	111.2	M13 V14 L19 G20 I21	M13-L17 WeakPolarHBondContact O-CB 3.16Å; M13-L17 PolarHBondContact O-N 3.31Å; V14-L17 PolarHBondContact O-N 3.34Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 2.79Å; L17-G20 PolarHBondContact O-N 3.14Å; L17-G20 VanDerWaalsContact O-N 3.13Å; L17-I21 HydrophobicContact CD2-CD1 4.39Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.03Å; L17-I21 PolarHBondContact O-N 3.31Å
18	L	63.3	Low	64.8	Low	115 Å²	115	113.6 Å²	113.6	60%	0.602	61%	0.614	S	S	*	*	H	α-helix	trans	-64.8	-37.5	177.3	-71.7	171.4	0	0	0	112	V14 L15	V14-L18 HydrophobicContact CG1-CD1 3.69Å; V14-L18 HydrophobicContact CG1-CG 4.15Å; V14-L18 WeakPolarHBondContact O-CB 3.28Å; V14-L18 VanDerWaalsContact O-CG 3.23Å; V14-L18 WeakPolarHBondContact O-CG 3.49Å; V14-L18 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.31Å
19	L	62.5	Low	65.4	Low	128 Å²	128	111 Å²	111	67%	0.67	60%	0.602	S	S	*	*	H	α-helix	trans	-68.6	-33.3	171.2	-93.3	137.6	0	0	0	112.5	L15 L17	L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 PolarHBondContact O-N 2.82Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 2.79Å
20	G	58.5	Low	66.4	Low	47 Å²	47	104 Å²	104	49%	0.485	58%	0.577	S	S	.	*	H	α-helix	trans	-75.9	-28.4	179	0	0	0	0	0	114.9	T16 L17 C22	T16-G20 PolarHBondContact O-N 3.32Å; L17-G20 PolarHBondContact O-N 3.14Å; L17-G20 VanDerWaalsContact O-N 3.13Å; G20-C22 VanDerWaalsContact C-N 3.28Å; G20-C22 PolarHBondContact O-N 2.78Å
21	I	60.9	Low	67.5	Low	119 Å²	119	98.2 Å²	98.2	61%	0.61	56%	0.558	S	S	*	*	H	α-helix	trans	-74.6	-19.1	179	-69.9	163.6	0	0	0	111.9	L17 V23	L17-I21 HydrophobicContact CD2-CD1 4.39Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.03Å; L17-I21 PolarHBondContact O-N 3.31Å; I21-V23 PolarHBondContact O-N 3.45Å
22	C	57.4	Low	68.6	Low	110 Å²	110	96.8 Å²	96.8	74%	0.743	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-9.9	-173.6	-134.7	0	0	0	0	115.1	G20	G20-C22 VanDerWaalsContact C-N 3.28Å; G20-C22 PolarHBondContact O-N 2.78Å
23	V	54.8	Low	69.7	Low	127 Å²	127	95.4 Å²	95.4	77%	0.77	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-4.1	-172.8	-170.1	0	0	0	0	113.4	I21	I21-V23 PolarHBondContact O-N 3.45Å
24	V	54.6	Low	70.9	Confident	123 Å²	123	92.7 Å²	92.7	75%	0.745	55%	0.548	S	S	*	.			trans	-112	37.5	176.7	-154.8	0	0	0	0	111.1	A26	V24-A26 PolarHBondContact O-N 3.21Å
25	G	52.6	Low	72.3	Confident	64 Å²	64	90 Å²	90	66%	0.66	53%	0.532	S	S	*	.	S	Bend	trans	-64.3	96	149.7	0	0	0	0	0	105.8	V27	G25-V27 PolarHBondContact O-N 3.27Å
26	A	53.4	Low	73.8	Confident	51 Å²	51	90.6 Å²	90.6	42%	0.421	53%	0.533	S	S	.	.			trans	-48.7	128.2	-177	0	0	0	0	0	110.8	V24 F28	V24-A26 PolarHBondContact O-N 3.21Å; A26-F28 HydrophobicContact CB-CD2 3.2Å; A26-F28 HydrophobicContact CB-CE1 4.37Å; A26-F28 HydrophobicContact CB-CE2 3.03Å; A26-F28 HydrophobicContact CB-CG 3.98Å; A26-F28 HydrophobicContact CB-CZ 3.67Å; A26-F28 PolarHBondContact O-N 3.3Å
27	V	56.8	Low	75.4	Confident	126 Å²	126	89.1 Å²	89.1	76%	0.764	52%	0.521	S	S	*	.			trans	-71.7	69	167.4	-172.1	0	0	0	0	106.8	G25	G25-V27 PolarHBondContact O-N 3.27Å
28	F	73.9	Confident	76.9	Confident	161 Å²	161	83.6 Å²	83.6	71%	0.706	49%	0.492	S	S	*	.			trans	-86.9	125.2	168	-67.1	-60.9	0	0	0	107.4	A26	A26-F28 HydrophobicContact CB-CD2 3.2Å; A26-F28 HydrophobicContact CB-CE1 4.37Å; A26-F28 HydrophobicContact CB-CE2 3.03Å; A26-F28 HydrophobicContact CB-CG 3.98Å; A26-F28 HydrophobicContact CB-CZ 3.67Å; A26-F28 PolarHBondContact O-N 3.3Å
29	G	89.2	Confident	78.6	Confident	19 Å²	19	79.1 Å²	79.1	20%	0.196	47%	0.469	C	S	.	.	S	Bend	trans	113.3	-169.9	-172.9	0	0	0	0	0	114.2	Q78	G29-Q78 VanDerWaalsContact CA-OE1 3.25Å
30	L	96.1	Very high	80.4	Confident	26 Å²	26	80 Å²	80	14%	0.136	46%	0.463	C	S	.	.			trans	-73.6	137	178.6	-77.7	65.9	0	0	0	109.3	E34 A35 M38 W69 L111 C154 G155 Y156	L30-E34 VanDerWaalsContact CA-OE2 3.32Å; L30-E34 WeakPolarHBondContact CA-OE2 3.45Å; L30-E34 HydrophobicContact CB-CB 3.8Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; L30-E34 HydrophobicContact CG-CB 3.95Å; L30-A35 HydrophobicContact CB-CB 4.34Å; L30-M38 HydrophobicContact CD2-CB 4.31Å; L30-M38 HydrophobicContact CD2-CG 3.62Å; L30-W69 HydrophobicContact CD2-CH2 4.12Å; L30-L111 HydrophobicContact CD2-CD1 4.46Å; L30-L111 HydrophobicContact CG-CD1 4.41Å; L30-C154 WeakPolarHBondContact CD1-O 3.21Å; L30-C154 HydrophobicContact CD2-CB 4.14Å; L30-G155 VanDerWaalsContact CD1-CA 3.4Å; L30-Y156 HydrophobicContact CD1-CD1 3.55Å; L30-Y156 HydrophobicContact CD1-CE1 4.23Å; L30-Y156 HydrophobicContact CG-CD1 4.02Å; L30-Y156 HydrophobicContact CG-CE1 4.34Å
31	D	95.7	Very high	82.3	Confident	52 Å²	52	78.5 Å²	78.5	28%	0.278	45%	0.445	S	S	.	.			trans	-68.3	166.4	166	83.1	37.7	0	0	0	111	Q33 E34 A35	D31-Q33 PolarHBondContact O-N 3.18Å; D31-Q33 VanDerWaalsContact OD1-CA 3.31Å; D31-Q33 WeakPolarHBondContact OD1-CA 3.41Å; D31-Q33 VanDerWaalsContact OD1-CB 3.28Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.5Å; D31-Q33 PolarHBondContact OD1-N 2.03Å; D31-E34 PolarHBondContact N-OE2 3.12Å; D31-E34 PolarHBondContact O-N 3.22Å; D31-E34 VanDerWaalsContact O-N 3.14Å; D31-E34 PolarHBondContact OD1-N 3.25Å; D31-A35 PolarHBondContact O-N 3.28Å
32	P	96.2	Very high	84.1	Confident	106 Å²	106	72.8 Å²	72.8	69%	0.688	42%	0.416	S	S	*	.	H	α-helix	trans	-58.1	-30.8	-178.2	-27.8	36.4	0	0	0	114.9	Q36	P32-Q36 WeakPolarHBondContact O-CB 3.48Å; P32-Q36 WeakPolarHBondContact O-CG 3.28Å; P32-Q36 PolarHBondContact O-N 2.69Å; P32-Q36 VanDerWaalsContact O-N 3.13Å
33	Q	97.6	Very high	86.1	Confident	156 Å²	156	69.1 Å²	69.1	73%	0.729	39%	0.388	S	S	*	.	H	α-helix	trans	-75.5	-40.5	176.9	-60.4	176.9	102.6	0	0	111.1	D31 Q36 L37	D31-Q33 PolarHBondContact O-N 3.18Å; D31-Q33 VanDerWaalsContact OD1-CA 3.31Å; D31-Q33 WeakPolarHBondContact OD1-CA 3.41Å; D31-Q33 VanDerWaalsContact OD1-CB 3.28Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.5Å; D31-Q33 PolarHBondContact OD1-N 2.03Å; Q33-Q36 PolarHBondContact O-N 2.52Å; Q33-L37 WeakPolarHBondContact O-CB 3.23Å; Q33-L37 PolarHBondContact O-N 2.04Å
34	E	97.9	Very high	88.1	Confident	42 Å²	42	67.1 Å²	67.1	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-44.5	174.3	-69	176.8	143	0	0	111.3	L30 D31 Q36 L37 M38 L111	L30-E34 VanDerWaalsContact CA-OE2 3.32Å; L30-E34 WeakPolarHBondContact CA-OE2 3.45Å; L30-E34 HydrophobicContact CB-CB 3.8Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; L30-E34 HydrophobicContact CG-CB 3.95Å; D31-E34 PolarHBondContact N-OE2 3.12Å; D31-E34 PolarHBondContact O-N 3.22Å; D31-E34 VanDerWaalsContact O-N 3.14Å; D31-E34 PolarHBondContact OD1-N 3.25Å; E34-Q36 VanDerWaalsContact C-N 3.34Å; E34-Q36 PolarHBondContact O-N 3.28Å; E34-L37 WeakPolarHBondContact O-CB 3.45Å; E34-L37 PolarHBondContact O-N 3.27Å; E34-M38 WeakPolarHBondContact O-CG 3.34Å; E34-M38 PolarHBondContact O-N 2.75Å; E34-L111 HydrophobicContact CB-CD1 3.7Å; E34-L111 HydrophobicContact CG-CD1 3.72Å
35	A	98.5	Very high	90.2	Very high	12 Å²	12	63.3 Å²	63.3	10%	0.099	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-42.9	175	0	0	0	0	0	111.8	L30 D31 M38 L39 W69	L30-A35 HydrophobicContact CB-CB 4.34Å; D31-A35 PolarHBondContact O-N 3.28Å; A35-M38 PolarHBondContact O-N 2.76Å; A35-L39 WeakPolarHBondContact O-CB 3.42Å; A35-L39 PolarHBondContact O-N 3.22Å; A35-W69 HydrophobicContact CB-CD2 4.37Å; A35-W69 HydrophobicContact CB-CH2 3.83Å; A35-W69 HydrophobicContact CB-CZ2 3.62Å; A35-W69 HydrophobicContact CB-CZ3 4.3Å
36	Q	98.5	Very high	92.4	Very high	109 Å²	109	60.3 Å²	60.3	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-66.4	-37	175.2	-73.8	-64.3	-28	0	0	112.8	P32 Q33 E34 R40	P32-Q36 WeakPolarHBondContact O-CB 3.48Å; P32-Q36 WeakPolarHBondContact O-CG 3.28Å; P32-Q36 PolarHBondContact O-N 2.69Å; P32-Q36 VanDerWaalsContact O-N 3.13Å; Q33-Q36 PolarHBondContact O-N 2.52Å; E34-Q36 VanDerWaalsContact C-N 3.34Å; E34-Q36 PolarHBondContact O-N 3.28Å; Q36-R40 WeakPolarHBondContact O-CB 3.14Å; Q36-R40 PolarHBondContact O-N 2.84Å
37	L	98.7	Very high	94.6	Very high	62 Å²	62	59.8 Å²	59.8	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-52	172.8	172	64	0	0	0	109.8	Q33 E34 L39 R40 V41	Q33-L37 WeakPolarHBondContact O-CB 3.23Å; Q33-L37 PolarHBondContact O-N 2.04Å; E34-L37 WeakPolarHBondContact O-CB 3.45Å; E34-L37 PolarHBondContact O-N 3.27Å; L37-L39 PolarHBondContact O-N 3.23Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 3.35Å; L37-R40 VanDerWaalsContact O-N 3.16Å; L37-V41 HydrophobicContact CD1-CG1 3.99Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.33Å
38	M	98.8	Very high	96.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-45.8	-179.1	-70.8	-56.3	-77.5	0	0	112	L30 E34 A35 R40 V41 H42 W69 L111 V115 C154 V170 C172	L30-M38 HydrophobicContact CD2-CB 4.31Å; L30-M38 HydrophobicContact CD2-CG 3.62Å; E34-M38 WeakPolarHBondContact O-CG 3.34Å; E34-M38 PolarHBondContact O-N 2.75Å; A35-M38 PolarHBondContact O-N 2.76Å; M38-R40 VanDerWaalsContact C-N 3.33Å; M38-R40 PolarHBondContact O-N 2.9Å; M38-V41 VanDerWaalsContact O-CG2 3.29Å; M38-V41 WeakPolarHBondContact O-CG2 3.17Å; M38-H42 PolarHBondContact O-N 2.9Å; M38-H42 PolarHBondContact O-ND1 3.13Å; M38-W69 HydrophobicContact CB-CZ3 4.19Å; M38-L111 HydrophobicContact CG-CB 4.5Å; M38-L111 HydrophobicContact SD-CB 3.74Å; M38-V115 HydrophobicContact CE-CG2 3.53Å; M38-V115 HydrophobicContact SD-CG2 4.1Å; M38-C154 HydrophobicContact CE-CB 4.27Å; M38-C154 HydrophobicContact CG-CB 4.5Å; M38-V170 HydrophobicContact CE-CG1 4.15Å; M38-C172 VanDerWaalsContact CE-SG 3.54Å
39	L	98.9	Very high	97.7	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-43	175.7	-175.8	65.3	0	0	0	112	A35 L37 N43 L67 W69 V152	A35-L39 WeakPolarHBondContact O-CB 3.42Å; A35-L39 PolarHBondContact O-N 3.22Å; L37-L39 PolarHBondContact O-N 3.23Å; L39-N43 WeakPolarHBondContact O-CB 3.05Å; L39-N43 PolarHBondContact O-N 3.03Å; L39-N43 VanDerWaalsContact O-N 3.1Å; L39-N43 PolarHBondContact O-ND2 3.15Å; L39-L67 HydrophobicContact CD1-CB 4.24Å; L39-L67 WeakPolarHBondContact CD1-O 3.43Å; L39-W69 HydrophobicContact CB-CE3 4.26Å; L39-W69 HydrophobicContact CD2-CB 4.21Å; L39-V152 HydrophobicContact CD1-CG1 3.79Å
40	R	98.8	Very high	98.1	Very high	145 Å²	145	55.9 Å²	55.9	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-51.9	-179.2	-176.9	-171.3	-53.7	167.1	5.8	111.4	Q36 L37 M38 H42 N43 E44	Q36-R40 WeakPolarHBondContact O-CB 3.14Å; Q36-R40 PolarHBondContact O-N 2.84Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 3.35Å; L37-R40 VanDerWaalsContact O-N 3.16Å; M38-R40 VanDerWaalsContact C-N 3.33Å; M38-R40 PolarHBondContact O-N 2.9Å; R40-H42 VanDerWaalsContact C-N 3.31Å; R40-H42 PolarHBondContact O-N 2.77Å; R40-N43 CarbonylContact O-C 3.58Å; R40-N43 PolarHBondContact O-N 3.28Å; R40-N43 VanDerWaalsContact O-N 3.07Å; R40-E44 WeakPolarHBondContact CD-OE1 3.04Å; R40-E44 HydrophobicContact CG-CG 4.32Å; R40-E44 WeakPolarHBondContact CG-OE1 3.06Å; R40-E44 WeakPolarHBondContact O-CG 3.32Å; R40-E44 PolarHBondContact O-N 3.14Å
41	V	98.8	Very high	98.1	Very high	16 Å²	16	57.5 Å²	57.5	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-36.9	-176.1	-63.1	0	0	0	0	111.8	L37 M38 N43 E44 H45 A112 V115	L37-V41 HydrophobicContact CD1-CG1 3.99Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.33Å; M38-V41 VanDerWaalsContact O-CG2 3.29Å; M38-V41 WeakPolarHBondContact O-CG2 3.17Å; V41-N43 VanDerWaalsContact C-N 3.35Å; V41-N43 PolarHBondContact O-N 2.84Å; V41-E44 PolarHBondContact O-N 3.02Å; V41-H45 PolarHBondContact O-CD2 3.35Å; V41-H45 PolarHBondContact O-N 3Å; V41-H45 VanDerWaalsContact O-N 3.17Å; V41-A112 HydrophobicContact CG1-CB 4.36Å; V41-V115 HydrophobicContact CB-CG1 4.44Å; V41-V115 HydrophobicContact CG2-CB 3.9Å; V41-V115 HydrophobicContact CG2-CG1 3.96Å; V41-V115 HydrophobicContact CG2-CG2 3.66Å
42	H	98.8	Very high	98.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-47.2	172.1	-78.9	81.3	0	0	0	111.3	M38 R40 H45 R46 L67 V115 Y174	M38-H42 PolarHBondContact O-N 2.9Å; M38-H42 PolarHBondContact O-ND1 3.13Å; R40-H42 VanDerWaalsContact C-N 3.31Å; R40-H42 PolarHBondContact O-N 2.77Å; H42-H45 PolarHBondContact O-N 2.68Å; H42-R46 WeakPolarHBondContact O-CG 3.06Å; H42-R46 PolarHBondContact O-N 3.16Å; H42-L67 HydrophobicContact CB-CD1 4.2Å; H42-V115 VanDerWaalsContact CE1-CG2 3.47Å; H42-V115 WeakPolarHBondContact CE1-CG2 3.44Å; H42-Y174 AromaticContact CD2-CE1 3.73Å; H42-Y174 AromaticContact NE2-CE1 3.53Å; H42-Y174 AromaticContact NE2-CZ 3.58Å; H42-Y174 PolarHBondContact NE2-OH 3.13Å
43	N	98.9	Very high	98.1	Very high	32 Å²	32	55.7 Å²	55.7	17%	0.171	29%	0.289	C	S	.	.	H	α-helix	trans	-71.3	-30.6	-177.4	-75.6	-23.3	0	0	0	113.1	L39 R40 V41 A47 P66 L67	L39-N43 WeakPolarHBondContact O-CB 3.05Å; L39-N43 PolarHBondContact O-N 3.03Å; L39-N43 VanDerWaalsContact O-N 3.1Å; L39-N43 PolarHBondContact O-ND2 3.15Å; R40-N43 CarbonylContact O-C 3.58Å; R40-N43 PolarHBondContact O-N 3.28Å; R40-N43 VanDerWaalsContact O-N 3.07Å; V41-N43 VanDerWaalsContact C-N 3.35Å; V41-N43 PolarHBondContact O-N 2.84Å; N43-A47 WeakPolarHBondContact O-CB 3.28Å; N43-A47 PolarHBondContact O-N 2.97Å; N43-P66 HydrophobicContact CB-CB 4.44Å; N43-P66 WeakPolarHBondContact OD1-CA 3.46Å; N43-L67 PolarHBondContact ND2-O 3.41Å; N43-L67 VanDerWaalsContact ND2-O 3.13Å; N43-L67 PolarHBondContact OD1-N 3.42Å
44	E	98.6	Very high	97.9	Very high	85 Å²	85	53.4 Å²	53.4	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-48.4	170.6	-75.2	173.3	178.4	0	0	110.9	R40 V41 R46 A47 Y48	R40-E44 WeakPolarHBondContact CD-OE1 3.04Å; R40-E44 HydrophobicContact CG-CG 4.32Å; R40-E44 WeakPolarHBondContact CG-OE1 3.06Å; R40-E44 WeakPolarHBondContact O-CG 3.32Å; R40-E44 PolarHBondContact O-N 3.14Å; V41-E44 PolarHBondContact O-N 3.02Å; E44-R46 PolarHBondContact O-N 3.21Å; E44-A47 WeakPolarHBondContact O-CB 3.26Å; E44-A47 PolarHBondContact O-N 2.95Å; E44-A47 VanDerWaalsContact O-N 3.15Å; E44-Y48 WeakPolarHBondContact O-CD2 3.32Å; E44-Y48 PolarHBondContact O-N 3.33Å
45	H	98.4	Very high	97.5	Very high	43 Å²	43	60.4 Å²	60.4	20%	0.199	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-39.6	177.7	-78	-67.4	0	0	0	113.7	V41 H42 Y48 R49 M119 I144	V41-H45 PolarHBondContact O-CD2 3.35Å; V41-H45 PolarHBondContact O-N 3Å; V41-H45 VanDerWaalsContact O-N 3.17Å; H42-H45 PolarHBondContact O-N 2.68Å; H45-Y48 AromaticContact ND1-CD2 3.96Å; H45-Y48 PolarHBondContact O-N 2.94Å; H45-R49 PolarHBondContact O-NE 2.8Å; H45-M119 HydrophobicContact CB-CE 3.85Å; H45-M119 HydrophobicContact CB-CG 4.14Å; H45-M119 HydrophobicContact CB-SD 3.89Å; H45-I144 HydrophobicContact CB-CG2 4.5Å
46	R	98.6	Very high	97.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-43.6	172	-70.4	174.9	71.1	82.5	-3.7	111.4	H42 E44 Y48 R49 L64 Q65 I144 Q146 T149	H42-R46 WeakPolarHBondContact O-CG 3.06Å; H42-R46 PolarHBondContact O-N 3.16Å; E44-R46 PolarHBondContact O-N 3.21Å; R46-Y48 VanDerWaalsContact C-N 3.29Å; R46-Y48 PolarHBondContact O-N 3.01Å; R46-R49 WeakPolarHBondContact O-CB 3.04Å; R46-R49 PolarHBondContact O-N 3.29Å; R46-R49 VanDerWaalsContact O-N 3.16Å; R46-L64 HydrophobicContact CB-CB 4.2Å; R46-L64 HydrophobicContact CB-CD1 4.26Å; R46-L64 HydrophobicContact CG-CD1 4.38Å; R46-Q65 VanDerWaalsContact CZ-O 3.27Å; R46-Q65 PolarHBondContact NE-O 3.31Å; R46-Q65 PolarHBondContact NH2-O 3.2Å; R46-I144 WeakPolarHBondContact CD-O 3.19Å; R46-I144 VanDerWaalsContact CG-O 3.3Å; R46-I144 WeakPolarHBondContact CG-O 3.47Å; R46-I144 PolarHBondContact NH1-O 2.82Å; R46-Q146 PolarHBondContact NH1-O 3.47Å; R46-Q146 PolarHBondContact NH2-O 2.97Å; R46-T149 PolarHBondContact NH2-O 3.13Å
47	A	98.5	Very high	97	Very high	40 Å²	40	61.4 Å²	61.4	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-31.5	179.1	0	0	0	0	0	112.8	N43 E44 R49 K50	N43-A47 WeakPolarHBondContact O-CB 3.28Å; N43-A47 PolarHBondContact O-N 2.97Å; E44-A47 WeakPolarHBondContact O-CB 3.26Å; E44-A47 PolarHBondContact O-N 2.95Å; E44-A47 VanDerWaalsContact O-N 3.15Å; A47-R49 PolarHBondContact O-N 2.7Å; A47-K50 WeakPolarHBondContact O-CD 3.36Å; A47-K50 WeakPolarHBondContact O-CG 3.34Å; A47-K50 PolarHBondContact O-N 2.95Å
48	Y	98.1	Very high	96.9	Very high	103 Å²	103	60.5 Å²	60.5	40%	0.404	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-25.9	175.3	-64.3	-36.7	0	0	0	113.2	E44 H45 R46 K50 L51 I57	E44-Y48 WeakPolarHBondContact O-CD2 3.32Å; E44-Y48 PolarHBondContact O-N 3.33Å; H45-Y48 AromaticContact ND1-CD2 3.96Å; H45-Y48 PolarHBondContact O-N 2.94Å; R46-Y48 VanDerWaalsContact C-N 3.29Å; R46-Y48 PolarHBondContact O-N 3.01Å; Y48-K50 PolarHBondContact O-N 3.04Å; Y48-L51 HydrophobicContact CD1-CD1 4.12Å; Y48-L51 WeakPolarHBondContact O-CB 3.44Å; Y48-L51 WeakPolarHBondContact O-CG 3.38Å; Y48-L51 PolarHBondContact O-N 2.92Å; Y48-I57 WeakPolarHBondContact O-CG2 3.18Å
49	R	97.9	Very high	96.8	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.026	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-6.4	178.4	-53.1	-54.2	110.2	157.3	3.9	113.7	H45 R46 A47 P59 A60 L64 Y141 V145 Y184 R191	H45-R49 PolarHBondContact O-NE 2.8Å; R46-R49 WeakPolarHBondContact O-CB 3.04Å; R46-R49 PolarHBondContact O-N 3.29Å; R46-R49 VanDerWaalsContact O-N 3.16Å; A47-R49 PolarHBondContact O-N 2.7Å; R49-P59 CarbonylContact O-C 3.25Å; R49-P59 VanDerWaalsContact O-CA 3.26Å; R49-P59 WeakPolarHBondContact O-CA 3.49Å; R49-A60 HydrophobicContact CB-CB 3.96Å; R49-A60 PolarHBondContact O-N 3.23Å; R49-L64 HydrophobicContact CB-CD1 3.95Å; R49-L64 HydrophobicContact CB-CG 4.27Å; R49-L64 HydrophobicContact CG-CD1 3.57Å; R49-L64 HydrophobicContact CG-CG 4.42Å; R49-Y141 PolarHBondContact NH1-OH 3.18Å; R49-V145 HydrophobicContact CG-CG1 4.28Å; R49-Y184 WeakPolarHBondContact CD-OH 3.38Å; R49-Y184 HydrophobicContact CG-CE1 3.94Å; R49-R191 PolarHBondContact O-NH2 3.45Å
50	K	97.4	Very high	96.8	Very high	113 Å²	113	59.8 Å²	59.8	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-19.3	170.1	81.5	-167.5	176.5	175.2	0	113.8	A47 Y48 I63 R191	A47-K50 WeakPolarHBondContact O-CD 3.36Å; A47-K50 WeakPolarHBondContact O-CG 3.34Å; A47-K50 PolarHBondContact O-N 2.95Å; Y48-K50 PolarHBondContact O-N 3.04Å; K50-I63 HydrophobicContact CB-CD1 3.6Å; K50-R191 VanDerWaalsContact C-NH2 3.35Å; K50-R191 VanDerWaalsContact O-CZ 3.27Å; K50-R191 PolarHBondContact O-NH1 3.15Å; K50-R191 PolarHBondContact O-NH2 3.49Å
51	L	97.1	Very high	96.7	Very high	60 Å²	60	56.3 Å²	56.3	31%	0.314	30%	0.302	S	S	.	.			trans	-72.1	138.5	-174.6	-58.2	175.7	0	0	0	109.9	Y48 E54 P59	Y48-L51 HydrophobicContact CD1-CD1 4.12Å; Y48-L51 WeakPolarHBondContact O-CB 3.44Å; Y48-L51 WeakPolarHBondContact O-CG 3.38Å; Y48-L51 PolarHBondContact O-N 2.92Å; L51-E54 HydrophobicContact CB-CG 3.77Å; L51-E54 HydrophobicContact CD1-CG 4.16Å; L51-P59 WeakPolarHBondContact O-CB 3.36Å
52	C	96.4	Very high	96.6	Very high	36 Å²	36	63.4 Å²	63.4	24%	0.243	33%	0.334	C	S	.	.	S	Bend	trans	-108.5	140.1	177.7	-61.3	0	0	0	0	109.3	E54 R191 C192	C52-E54 VanDerWaalsContact C-N 3.34Å; C52-E54 PolarHBondContact O-N 3.47Å; C52-R191 PolarHBondContact SG-NH1 3.17Å; C52-C192 VanDerWaalsContact CA-SG 3.59Å; C52-C192 HydrophobicContact CB-CB 3.64Å; C52-C192 WeakPolarHBondContact CB-SG 3.49Å; C52-C192 VanDerWaalsContact SG-CA 3.6Å; C52-C192 WeakPolarHBondContact SG-CB 3.46Å; C52-C192 CovalentContact SG-SG 2.03Å; C52-C192 PolarHBondContact SG-SG 3.36Å
53	G	94	Very high	96.6	Very high	84 Å²	84	67.5 Å²	67.5	87%	0.866	36%	0.355	S	S	*	.	S	Bend	trans	76.8	11.4	174.4	0	0	0	0	0	116.2
54	E	94.5	Very high	96.5	Very high	108 Å²	108	66.7 Å²	66.7	51%	0.505	35%	0.35	S	S	.	.			trans	-87.8	127.5	174.7	-63.1	-64.7	159.7	0	0	110.1	L51 C52 D56 I57	L51-E54 HydrophobicContact CB-CG 3.77Å; L51-E54 HydrophobicContact CD1-CG 4.16Å; C52-E54 VanDerWaalsContact C-N 3.34Å; C52-E54 PolarHBondContact O-N 3.47Å; E54-D56 VanDerWaalsContact C-N 3.33Å; E54-D56 PolarHBondContact O-N 2.83Å; E54-I57 HydrophobicContact CB-CB 3.91Å; E54-I57 HydrophobicContact CB-CG1 3.89Å; E54-I57 PolarHBondContact O-N 3.31Å; E54-I57 VanDerWaalsContact O-N 3.12Å
55	E	88.9	Confident	96.5	Very high	190 Å²	190	68.8 Å²	68.8	89%	0.888	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-40.8	-169.6	-172.2	172.5	-174.2	0	0	113.7
56	D	90.9	Very high	96.5	Very high	112 Å²	112	70.5 Å²	70.5	60%	0.599	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	10.4	-176.6	-62.3	-42.9	0	0	0	113.5	E54	E54-D56 VanDerWaalsContact C-N 3.33Å; E54-D56 PolarHBondContact O-N 2.83Å
57	I	95.4	Very high	96.6	Very high	30 Å²	30	70.7 Å²	70.7	15%	0.154	38%	0.376	C	S	.	.			trans	-127	111	-175.8	-52	-68.6	0	0	0	110.2	Y48 E54 P59	Y48-I57 WeakPolarHBondContact O-CG2 3.18Å; E54-I57 HydrophobicContact CB-CB 3.91Å; E54-I57 HydrophobicContact CB-CG1 3.89Å; E54-I57 PolarHBondContact O-N 3.31Å; E54-I57 VanDerWaalsContact O-N 3.12Å; I57-P59 WeakPolarHBondContact O-CD 3.38Å
58	V	96.6	Very high	96.6	Very high	42 Å²	42	75 Å²	75	26%	0.255	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-74.6	117.6	161.9	-178.5	0	0	0	0	108.7	H127 Y184 D186	V58-H127 HydrophobicContact CG1-CB 4.03Å; V58-Y184 HydrophobicContact CG1-CE2 4.32Å; V58-Y184 PolarHBondContact O-OH 2.81Å; V58-D186 HydrophobicContact CG1-CB 4.08Å; V58-D186 WeakPolarHBondContact CG1-OD1 3.28Å; V58-D186 WeakPolarHBondContact CG1-OD2 3.23Å
59	P	97.3	Very high	96.6	Very high	6 Å²	6	72.8 Å²	72.8	4%	0.039	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65.3	145.8	177.3	25.5	-33.5	0	0	0	111.5	R49 L51 I57 G187 T188 C192	R49-P59 CarbonylContact O-C 3.25Å; R49-P59 VanDerWaalsContact O-CA 3.26Å; R49-P59 WeakPolarHBondContact O-CA 3.49Å; L51-P59 WeakPolarHBondContact O-CB 3.36Å; I57-P59 WeakPolarHBondContact O-CD 3.38Å; P59-G187 PolarHBondContact O-N 2.94Å; P59-T188 WeakPolarHBondContact CD-OG1 3.36Å; P59-T188 WeakPolarHBondContact CG-OG1 3.31Å; P59-C192 WeakPolarHBondContact CB-SG 3.39Å; P59-C192 HydrophobicContact CG-CB 4.34Å; P59-C192 VanDerWaalsContact CG-SG 3.6Å
60	A	97.8	Very high	96.6	Very high	1 Å²	1	73 Å²	73	1%	0.008	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-84.8	141.3	165.6	0	0	0	0	0	110.4	R49 E62 L64 Y184 R191	R49-A60 HydrophobicContact CB-CB 3.96Å; R49-A60 PolarHBondContact O-N 3.23Å; A60-E62 WeakPolarHBondContact CB-O 3.38Å; A60-L64 HydrophobicContact CB-CD2 4.2Å; A60-L64 HydrophobicContact CB-CG 4.24Å; A60-Y184 HydrophobicContact CB-CD2 3.46Å; A60-Y184 VanDerWaalsContact CB-CD2 3.46Å; A60-Y184 HydrophobicContact CB-CE2 3.85Å; A60-Y184 HydrophobicContact CB-CG 3.9Å; A60-R191 PolarHBondContact O-NE 3.35Å; A60-R191 PolarHBondContact O-NH2 3.3Å
61	E	97.2	Very high	96.6	Very high	73 Å²	73	73.3 Å²	73.3	34%	0.341	39%	0.387	S	S	.	.	S	Bend	trans	-62.4	-51.1	172.1	-178.3	60.7	-165.1	0	0	110.2	T185 G187 G190 R191	E61-T185 HydrophobicContact CB-CG2 3.94Å; E61-T185 HydrophobicContact CG-CG2 4.45Å; E61-T185 PolarHBondContact N-O 3.33Å; E61-G187 VanDerWaalsContact OE2-CA 3.28Å; E61-G187 WeakPolarHBondContact OE2-CA 3.37Å; E61-G190 VanDerWaalsContact OE2-CA 3.23Å; E61-G190 WeakPolarHBondContact OE2-CA 3.34Å; E61-R191 WeakPolarHBondContact O-CD 3.07Å; E61-R191 PolarHBondContact OE2-N 3.16Å
62	E	97.3	Very high	96.6	Very high	164 Å²	164	74.4 Å²	74.4	77%	0.766	39%	0.391	S	S	*	.	S	Bend	trans	-98.2	138.9	172.2	-65.4	-171.7	-171.1	0	0	111	A60 L64	A60-E62 WeakPolarHBondContact CB-O 3.38Å; E62-L64 PolarHBondContact O-N 3Å
63	I	97.7	Very high	96.7	Very high	87 Å²	87	72.7 Å²	72.7	45%	0.446	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-66.8	118.3	179.2	-55.9	-56.4	0	0	0	110	K50 Q65	K50-I63 HydrophobicContact CB-CD1 3.6Å; I63-Q65 PolarHBondContact O-N 3.17Å; I63-Q65 PolarHBondContact O-NE2 3.26Å
64	L	98.5	Very high	96.9	Very high	14 Å²	14	69.3 Å²	69.3	7%	0.073	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-59.6	124.3	176.9	-56.1	-172.2	0	0	0	110.6	R46 R49 A60 E62 V145 A147 Y184	R46-L64 HydrophobicContact CB-CB 4.2Å; R46-L64 HydrophobicContact CB-CD1 4.26Å; R46-L64 HydrophobicContact CG-CD1 4.38Å; R49-L64 HydrophobicContact CB-CD1 3.95Å; R49-L64 HydrophobicContact CB-CG 4.27Å; R49-L64 HydrophobicContact CG-CD1 3.57Å; R49-L64 HydrophobicContact CG-CG 4.42Å; A60-L64 HydrophobicContact CB-CD2 4.2Å; A60-L64 HydrophobicContact CB-CG 4.24Å; E62-L64 PolarHBondContact O-N 3Å; L64-V145 HydrophobicContact CD1-CB 4.07Å; L64-V145 VanDerWaalsContact CD1-O 3.23Å; L64-V145 WeakPolarHBondContact CD1-O 3.45Å; L64-A147 HydrophobicContact CD2-CB 4.05Å; L64-Y184 HydrophobicContact CD1-CD1 4.1Å; L64-Y184 HydrophobicContact CD1-CE1 4.42Å; L64-Y184 HydrophobicContact CD2-CD1 4.3Å; L64-Y184 HydrophobicContact CD2-CG 4.26Å
65	Q	98.4	Very high	97	Very high	129 Å²	129	67.2 Å²	67.2	60%	0.603	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-70.7	144.4	177.3	-62	-54.4	-62.2	0	0	110.6	R46 I63	R46-Q65 VanDerWaalsContact CZ-O 3.27Å; R46-Q65 PolarHBondContact NE-O 3.31Å; R46-Q65 PolarHBondContact NH2-O 3.2Å; I63-Q65 PolarHBondContact O-N 3.17Å; I63-Q65 PolarHBondContact O-NE2 3.26Å
66	P	98.7	Very high	97.4	Very high	80 Å²	80	59.3 Å²	59.3	52%	0.519	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64	139	174.7	27.6	-34	0	0	0	110.4	N43	N43-P66 HydrophobicContact CB-CB 4.44Å; N43-P66 WeakPolarHBondContact OD1-CA 3.46Å
67	L	98.9	Very high	97.8	Very high	5 Å²	5	54 Å²	54	3%	0.026	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-65.1	153.2	170.9	-53.6	-177.9	0	0	0	110.1	L39 H42 N43 T149 A150 V152	L39-L67 HydrophobicContact CD1-CB 4.24Å; L39-L67 WeakPolarHBondContact CD1-O 3.43Å; H42-L67 HydrophobicContact CB-CD1 4.2Å; N43-L67 PolarHBondContact ND2-O 3.41Å; N43-L67 VanDerWaalsContact ND2-O 3.13Å; N43-L67 PolarHBondContact OD1-N 3.42Å; L67-T149 HydrophobicContact CD2-CG2 3.93Å; L67-T149 WeakPolarHBondContact CD2-O 3.19Å; L67-A150 WeakPolarHBondContact CA-O 3.22Å; L67-V152 HydrophobicContact CB-CG1 3.94Å; L67-V152 HydrophobicContact CD1-CB 3.97Å; L67-V152 HydrophobicContact CD1-CG1 3.87Å
68	K	98.8	Very high	97.9	Very high	130 Å²	130	53.3 Å²	53.3	57%	0.565	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.3	168.8	-64.8	175	-175.6	171.8	0	109.5	A150 Y151 V152	K68-A150 PolarHBondContact N-O 3.14Å; K68-Y151 HydrophobicContact CB-CD1 3.89Å; K68-Y151 HydrophobicContact CB-CE1 3.97Å; K68-Y151 HydrophobicContact CD-CE1 4.14Å; K68-Y151 VanDerWaalsContact O-CA 3.29Å; K68-Y151 WeakPolarHBondContact O-CA 3.48Å; K68-V152 PolarHBondContact O-N 2.93Å
69	W	98.7	Very high	97.9	Very high	57 Å²	57	54.6 Å²	54.6	22%	0.216	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.6	171	-169.6	-98.3	0	0	0	110.6	L30 A35 M38 L39 D71 A74 V152 C154	L30-W69 HydrophobicContact CD2-CH2 4.12Å; A35-W69 HydrophobicContact CB-CD2 4.37Å; A35-W69 HydrophobicContact CB-CH2 3.83Å; A35-W69 HydrophobicContact CB-CZ2 3.62Å; A35-W69 HydrophobicContact CB-CZ3 4.3Å; M38-W69 HydrophobicContact CB-CZ3 4.19Å; L39-W69 HydrophobicContact CB-CE3 4.26Å; L39-W69 HydrophobicContact CD2-CB 4.21Å; W69-D71 PolarHBondContact NE1-OD1 3.47Å; W69-A74 HydrophobicContact CH2-CB 4.36Å; W69-A74 HydrophobicContact CZ2-CB 3.51Å; W69-V152 CarbonylContact C-O 3.58Å; W69-V152 VanDerWaalsContact CA-O 3.3Å; W69-V152 WeakPolarHBondContact CA-O 3.21Å; W69-C154 HydrophobicContact CH2-CB 3.98Å; W69-C154 HydrophobicContact CZ3-CB 4.35Å
70	D	98.5	Very high	97.9	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.07	29%	0.289	C	S	.	.			trans	-133.8	123.1	171.5	-173.8	-90.5	0	0	0	110.9	E72 L73 A74 K97 W98 Y151 V152	D70-E72 PolarHBondContact O-N 3.37Å; D70-E72 WeakPolarHBondContact OD1-CB 3.43Å; D70-E72 PolarHBondContact OD1-N 3.07Å; D70-L73 HydrophobicContact CB-CB 4.37Å; D70-L73 HydrophobicContact CB-CD1 4.06Å; D70-L73 HydrophobicContact CB-CG 4.16Å; D70-L73 PolarHBondContact O-N 3.35Å; D70-L73 PolarHBondContact OD1-N 3.44Å; D70-L73 VanDerWaalsContact OD1-N 3.17Å; D70-A74 PolarHBondContact O-N 3.42Å; D70-A74 VanDerWaalsContact O-N 3.09Å; D70-K97 IonicContact OD2-NZ 2.83Å; D70-K97 PolarHBondContact OD2-NZ 2.9Å; D70-W98 HydrophobicContact CB-CZ2 4.36Å; D70-W98 PolarHBondContact OD1-NE1 3.42Å; D70-W98 VanDerWaalsContact OD2-CZ2 3.3Å; D70-W98 WeakPolarHBondContact OD2-CZ2 3.09Å; D70-W98 PolarHBondContact OD2-NE1 3.22Å; D70-Y151 HydrophobicContact CB-CD1 4.2Å; D70-V152 PolarHBondContact N-O 2.9Å
71	D	97	Very high	97.8	Very high	119 Å²	119	54.6 Å²	54.6	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-72.6	-26.4	-172.9	-63.7	-39.5	0	0	0	113	W69 A74 A75	W69-D71 PolarHBondContact NE1-OD1 3.47Å; D71-A74 PolarHBondContact O-N 3.31Å; D71-A75 WeakPolarHBondContact O-CB 3.34Å; D71-A75 PolarHBondContact O-N 2.92Å
72	E	97.3	Very high	97.8	Very high	83 Å²	83	55.4 Å²	55.4	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-69.9	-42	175.9	-58	-174.4	117.9	0	0	110.3	D70 A76 V95 G96 K97	D70-E72 PolarHBondContact O-N 3.37Å; D70-E72 WeakPolarHBondContact OD1-CB 3.43Å; D70-E72 PolarHBondContact OD1-N 3.07Å; E72-A76 WeakPolarHBondContact O-CB 3.37Å; E72-A76 PolarHBondContact O-N 3.04Å; E72-A76 VanDerWaalsContact O-N 3.07Å; E72-V95 HydrophobicContact CB-CG1 4.3Å; E72-V95 VanDerWaalsContact O-CG1 3.27Å; E72-V95 WeakPolarHBondContact O-CG1 3.42Å; E72-G96 WeakPolarHBondContact OE1-CA 3.22Å; E72-K97 PolarHBondContact OE2-N 3.07Å
73	L	98.5	Very high	97.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-42	172.3	-64.1	-179.3	0	0	0	111.7	D70 A76 A77 V95 W98 V101	D70-L73 HydrophobicContact CB-CB 4.37Å; D70-L73 HydrophobicContact CB-CD1 4.06Å; D70-L73 HydrophobicContact CB-CG 4.16Å; D70-L73 PolarHBondContact O-N 3.35Å; D70-L73 PolarHBondContact OD1-N 3.44Å; D70-L73 VanDerWaalsContact OD1-N 3.17Å; L73-A76 PolarHBondContact O-N 3.4Å; L73-A77 WeakPolarHBondContact O-CB 3.4Å; L73-A77 PolarHBondContact O-N 2.83Å; L73-V95 HydrophobicContact CD2-CB 4.1Å; L73-V95 HydrophobicContact CD2-CG1 4Å; L73-W98 HydrophobicContact CD2-CB 4.47Å; L73-W98 VanDerWaalsContact CD2-CD1 3.46Å; L73-W98 HydrophobicContact CD2-CG 4.09Å; L73-V101 HydrophobicContact CD2-CG1 3.98Å; L73-V101 HydrophobicContact CD2-CG2 4.06Å
74	A	98.5	Very high	97.6	Very high	13 Å²	13	49.2 Å²	49.2	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-44.7	179.1	0	0	0	0	0	112.1	W69 D70 D71 A76 A77 Q78	W69-A74 HydrophobicContact CH2-CB 4.36Å; W69-A74 HydrophobicContact CZ2-CB 3.51Å; D70-A74 PolarHBondContact O-N 3.42Å; D70-A74 VanDerWaalsContact O-N 3.09Å; D71-A74 PolarHBondContact O-N 3.31Å; A74-A76 VanDerWaalsContact C-N 3.34Å; A74-A76 PolarHBondContact O-N 3.39Å; A74-A77 PolarHBondContact O-N 3.15Å; A74-Q78 WeakPolarHBondContact O-CB 3.17Å; A74-Q78 PolarHBondContact O-N 3.43Å
75	A	96.9	Very high	97.5	Very high	63 Å²	63	51.9 Å²	51.9	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-40.1	176.6	0	0	0	0	0	112.2	D71 Q78 S79	D71-A75 WeakPolarHBondContact O-CB 3.34Å; D71-A75 PolarHBondContact O-N 2.92Å; A75-Q78 PolarHBondContact O-N 3.05Å; A75-S79 PolarHBondContact O-N 3.17Å
76	A	97.2	Very high	97.2	Very high	24 Å²	24	46.9 Å²	46.9	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-41.6	175.8	0	0	0	0	0	112.5	E72 L73 A74 Q78 S79 W80 V95 Y173	E72-A76 WeakPolarHBondContact O-CB 3.37Å; E72-A76 PolarHBondContact O-N 3.04Å; E72-A76 VanDerWaalsContact O-N 3.07Å; L73-A76 PolarHBondContact O-N 3.4Å; A74-A76 VanDerWaalsContact C-N 3.34Å; A74-A76 PolarHBondContact O-N 3.39Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.15Å; A76-S79 PolarHBondContact O-N 3.43Å; A76-W80 WeakPolarHBondContact O-CB 3.24Å; A76-W80 PolarHBondContact O-N 2.96Å; A76-V95 HydrophobicContact CB-CB 4.36Å; A76-V95 HydrophobicContact CB-CG1 3.5Å; A76-V95 VanDerWaalsContact CB-CG1 3.5Å; A76-V95 HydrophobicContact CB-CG2 3.87Å; A76-Y173 HydrophobicContact CB-CD2 3.89Å; A76-Y173 HydrophobicContact CB-CE2 3.9Å
77	A	98.1	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-39.6	174.8	0	0	0	0	0	111.7	L73 A74 W80 S81 A171 Y173	L73-A77 WeakPolarHBondContact O-CB 3.4Å; L73-A77 PolarHBondContact O-N 2.83Å; A74-A77 PolarHBondContact O-N 3.15Å; A77-W80 PolarHBondContact O-N 3.48Å; A77-S81 PolarHBondContact O-N 3.32Å; A77-S81 PolarHBondContact O-OG 2.89Å; A77-A171 HydrophobicContact CB-CB 4.37Å; A77-Y173 HydrophobicContact CB-CD1 3.67Å; A77-Y173 HydrophobicContact CB-CE1 4.2Å; A77-Y173 HydrophobicContact CB-CG 4Å
78	Q	97.8	Very high	96.5	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-49.5	175.3	-178.6	55.8	38.6	0	0	112	G29 A74 A75 A76 W80 S81 E82 Y156	G29-Q78 VanDerWaalsContact CA-OE1 3.25Å; A74-Q78 WeakPolarHBondContact O-CB 3.17Å; A74-Q78 PolarHBondContact O-N 3.43Å; A75-Q78 PolarHBondContact O-N 3.05Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.15Å; Q78-W80 PolarHBondContact O-N 3.39Å; Q78-S81 PolarHBondContact O-N 3.35Å; Q78-S81 PolarHBondContact O-OG 3.35Å; Q78-E82 PolarHBondContact NE2-OE1 3.29Å; Q78-E82 VanDerWaalsContact NE2-OE1 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.4Å; Q78-E82 PolarHBondContact O-N 2.97Å; Q78-Y156 PolarHBondContact NE2-O 3.16Å; Q78-Y156 PolarHBondContact OE1-O 3.34Å
79	S	96.4	Very high	96	Very high	69 Å²	69	53.8 Å²	53.8	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-32.8	177.1	-177.4	0	0	0	0	112.1	A75 A76	A75-S79 PolarHBondContact O-N 3.17Å; A76-S79 PolarHBondContact O-N 3.43Å
80	W	97	Very high	95.6	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-69.7	-45.4	174.4	-173.9	84.8	0	0	0	112.5	A76 A77 Q78 E82 K83 D88 S105 L169 A171 Y173	A76-W80 WeakPolarHBondContact O-CB 3.24Å; A76-W80 PolarHBondContact O-N 2.96Å; A77-W80 PolarHBondContact O-N 3.48Å; Q78-W80 PolarHBondContact O-N 3.39Å; W80-E82 PolarHBondContact O-N 3.49Å; W80-K83 WeakPolarHBondContact O-CB 3.4Å; W80-K83 PolarHBondContact O-N 2.74Å; W80-K83 VanDerWaalsContact O-N 3.15Å; W80-D88 HydrophobicContact CZ2-CB 4.03Å; W80-D88 PolarHBondContact NE1-OD2 3.26Å; W80-S105 VanDerWaalsContact CH2-CB 3.49Å; W80-L169 HydrophobicContact CH2-CD1 4.44Å; W80-L169 HydrophobicContact CH2-CD2 4.49Å; W80-L169 HydrophobicContact CZ3-CD1 4.02Å; W80-L169 HydrophobicContact CZ3-CD2 4Å; W80-L169 HydrophobicContact CZ3-CG 4.1Å; W80-A171 HydrophobicContact CE3-CB 3.52Å; W80-A171 HydrophobicContact CZ3-CB 3.81Å; W80-Y173 HydrophobicContact CB-CE1 4.24Å; W80-Y173 WeakPolarHBondContact CB-OH 3.28Å; W80-Y173 HydrophobicContact CG-CE1 4.38Å; W80-Y173 VanDerWaalsContact CG-OH 3.3Å
81	S	97	Very high	95.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-29.7	179.5	62.4	0	0	0	0	112.5	A77 Q78 K83 C84 Y156 T157 L169	A77-S81 PolarHBondContact O-N 3.32Å; A77-S81 PolarHBondContact O-OG 2.89Å; Q78-S81 PolarHBondContact O-N 3.35Å; Q78-S81 PolarHBondContact O-OG 3.35Å; S81-K83 PolarHBondContact O-N 2.89Å; S81-C84 PolarHBondContact O-N 2.85Å; S81-Y156 WeakPolarHBondContact OG-CA 3.31Å; S81-Y156 PolarHBondContact OG-N 3.06Å; S81-T157 VanDerWaalsContact O-CB 3.28Å; S81-T157 WeakPolarHBondContact O-CB 3.42Å; S81-T157 PolarHBondContact O-OG1 2.94Å; S81-T157 PolarHBondContact OG-N 3.07Å; S81-T157 PolarHBondContact OG-OG1 3.41Å; S81-L169 WeakPolarHBondContact CB-O 3.49Å
82	E	96.2	Very high	95.1	Very high	91 Å²	91	58.6 Å²	58.6	43%	0.425	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21	175	-75.6	167.3	-174.3	0	0	114.2	Q78 W80 C84 T157	Q78-E82 PolarHBondContact NE2-OE1 3.29Å; Q78-E82 VanDerWaalsContact NE2-OE1 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.4Å; Q78-E82 PolarHBondContact O-N 2.97Å; W80-E82 PolarHBondContact O-N 3.49Å; E82-C84 PolarHBondContact O-N 3.17Å; E82-T157 WeakPolarHBondContact CA-OG1 3.46Å; E82-T157 PolarHBondContact N-OG1 3.33Å
83	K	95.8	Very high	94.9	Very high	98 Å²	98	56.9 Å²	56.9	43%	0.426	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.9	173.1	-59.4	-177.7	-175.1	-179.9	0	112.9	W80 S81 N85 D88 E90	W80-K83 WeakPolarHBondContact O-CB 3.4Å; W80-K83 PolarHBondContact O-N 2.74Å; W80-K83 VanDerWaalsContact O-N 3.15Å; S81-K83 PolarHBondContact O-N 2.89Å; K83-N85 PolarHBondContact O-N 2.99Å; K83-N85 VanDerWaalsContact O-N 3.07Å; K83-D88 VanDerWaalsContact CD-OD2 3.3Å; K83-D88 WeakPolarHBondContact CD-OD2 3.23Å; K83-D88 IonicContact NZ-OD2 2.75Å; K83-D88 PolarHBondContact NZ-OD2 3.49Å; K83-E90 IonicContact NZ-OE2 2.68Å; K83-E90 PolarHBondContact NZ-OE2 3.47Å
84	C	95.8	Very high	94.7	Very high	23 Å²	23	62.7 Å²	62.7	16%	0.155	35%	0.349	C	S	.	.			trans	51.3	30.3	-176.3	-73.3	0	0	0	0	114.4	S81 E82 C159 Y162	S81-C84 PolarHBondContact O-N 2.85Å; E82-C84 PolarHBondContact O-N 3.17Å; C84-C159 WeakPolarHBondContact CA-SG 3.47Å; C84-C159 HydrophobicContact CB-CB 3.68Å; C84-C159 WeakPolarHBondContact CB-SG 3.34Å; C84-C159 VanDerWaalsContact SG-CA 3.54Å; C84-C159 WeakPolarHBondContact SG-CB 3.3Å; C84-C159 CovalentContact SG-SG 2.04Å; C84-C159 PolarHBondContact SG-SG 3.17Å; C84-Y162 PolarHBondContact O-OH 3.47Å
85	N	95.6	Very high	94.6	Very high	69 Å²	69	62.7 Å²	62.7	37%	0.369	35%	0.348	S	S	.	.			trans	-125.4	96.9	178.2	179.7	12	0	0	0	110.2	K83 F87 D88	K83-N85 PolarHBondContact O-N 2.99Å; K83-N85 VanDerWaalsContact O-N 3.07Å; N85-F87 PolarHBondContact O-N 3.38Å; N85-F87 PolarHBondContact OD1-N 2.81Å; N85-F87 VanDerWaalsContact OD1-N 3.09Å; N85-D88 HydrophobicContact CB-CB 4.34Å; N85-D88 WeakPolarHBondContact O-CB 3.25Å; N85-D88 PolarHBondContact O-N 2.82Å; N85-D88 PolarHBondContact OD1-N 2.73Å
86	P	92	Very high	94.5	Very high	25 Å²	25	62.3 Å²	62.3	16%	0.162	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.5	179.5	31.7	-38.7	0	0	0	112.9	D88 I107 Y162 L169	P86-D88 VanDerWaalsContact C-N 3.34Å; P86-I107 HydrophobicContact CB-CD1 4.35Å; P86-I107 HydrophobicContact CG-CD1 3.92Å; P86-Y162 WeakPolarHBondContact CD-OH 3.3Å; P86-Y162 WeakPolarHBondContact CG-OH 3.35Å; P86-L169 HydrophobicContact CB-CD1 3.9Å
87	F	91.6	Very high	94.4	Very high	165 Å²	165	67.5 Å²	67.5	72%	0.724	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	11.8	178.4	-50.4	-71	0	0	0	112.3	N85 E89	N85-F87 PolarHBondContact O-N 3.38Å; N85-F87 PolarHBondContact OD1-N 2.81Å; N85-F87 VanDerWaalsContact OD1-N 3.09Å; F87-E89 PolarHBondContact O-N 3.27Å
88	D	91.6	Very high	94.4	Very high	15 Å²	15	69 Å²	69	8%	0.08	37%	0.374	C	S	.	.			trans	-66	102.1	174.9	176.6	20.3	0	0	0	110.6	W80 K83 N85 P86 E90 R103	W80-D88 HydrophobicContact CZ2-CB 4.03Å; W80-D88 PolarHBondContact NE1-OD2 3.26Å; K83-D88 VanDerWaalsContact CD-OD2 3.3Å; K83-D88 WeakPolarHBondContact CD-OD2 3.23Å; K83-D88 IonicContact NZ-OD2 2.75Å; K83-D88 PolarHBondContact NZ-OD2 3.49Å; N85-D88 HydrophobicContact CB-CB 4.34Å; N85-D88 WeakPolarHBondContact O-CB 3.25Å; N85-D88 PolarHBondContact O-N 2.82Å; N85-D88 PolarHBondContact OD1-N 2.73Å; P86-D88 VanDerWaalsContact C-N 3.34Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 WeakPolarHBondContact OD1-CB 3.38Å; D88-E90 WeakPolarHBondContact OD1-CG 3.24Å; D88-E90 PolarHBondContact OD1-N 3.37Å; D88-R103 PolarHBondContact O-NH2 2.62Å
89	E	88.8	Confident	94.3	Very high	179 Å²	179	74.5 Å²	74.5	84%	0.836	40%	0.404	S	S	*	.			trans	-88.2	11	177.9	-66.2	-178.6	179.3	0	0	113.3	F87	F87-E89 PolarHBondContact O-N 3.27Å
90	E	90.8	Very high	94.3	Very high	120 Å²	120	72.8 Å²	72.8	56%	0.561	39%	0.391	S	S	*	.			trans	-53	129.2	175.2	-79.9	-179.1	175.1	0	0	110.8	K83 D88 I92	K83-E90 IonicContact NZ-OE2 2.68Å; K83-E90 PolarHBondContact NZ-OE2 3.47Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 WeakPolarHBondContact OD1-CB 3.38Å; D88-E90 WeakPolarHBondContact OD1-CG 3.24Å; D88-E90 PolarHBondContact OD1-N 3.37Å; E90-I92 PolarHBondContact O-N 3.45Å
91	P	91.2	Very high	94.4	Very high	124 Å²	124	73 Å²	73	81%	0.805	39%	0.393	S	S	*	.			trans	-57.1	129.1	175	-24.8	33.7	0	0	0	110.8	G93	P91-G93 PolarHBondContact O-N 2.83Å
92	I	94	Very high	94.4	Very high	47 Å²	47	73.3 Å²	73.3	24%	0.241	40%	0.397	C	S	.	.			trans	-61.3	-36.5	-177.4	-60.6	164.8	0	0	0	111.5	E90 V95 V101 R103 Y173	E90-I92 PolarHBondContact O-N 3.45Å; I92-V95 HydrophobicContact CG2-CG2 3.87Å; I92-V101 HydrophobicContact CD1-CG1 4.44Å; I92-V101 WeakPolarHBondContact CD1-O 3.41Å; I92-V101 HydrophobicContact CG2-CB 3.84Å; I92-V101 HydrophobicContact CG2-CG1 3.84Å; I92-R103 HydrophobicContact CD1-CB 3.6Å; I92-Y173 HydrophobicContact CG1-CE2 4.39Å; I92-Y173 HydrophobicContact CG2-CD2 4.13Å; I92-Y173 HydrophobicContact CG2-CE2 3.56Å
93	G	91.6	Very high	94.4	Very high	47 Å²	47	71.9 Å²	71.9	49%	0.485	39%	0.388	S	S	.	.			trans	64.8	-145.5	-172.6	0	0	0	0	0	111.7	P91	P91-G93 PolarHBondContact O-N 2.83Å
94	N	95.5	Very high	94.5	Very high	121 Å²	121	67.5 Å²	67.5	65%	0.647	37%	0.369	S	S	*	.			trans	-90.7	143.2	178.2	-62.3	-4.9	0	0	0	110.4	W98 D99	N94-W98 CarbonylContact C-O 3.58Å; N94-W98 VanDerWaalsContact CA-O 3.22Å; N94-W98 WeakPolarHBondContact CA-O 3.38Å; N94-W98 WeakPolarHBondContact CB-O 3.5Å; N94-D99 WeakPolarHBondContact OD1-CA 3.5Å
95	V	96.9	Very high	94.6	Very high	14 Å²	14	68 Å²	68	9%	0.085	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-120.9	107.3	172.7	177.8	0	0	0	0	108.5	E72 L73 A76 I92 K97 W98 V101 Y173	E72-V95 HydrophobicContact CB-CG1 4.3Å; E72-V95 VanDerWaalsContact O-CG1 3.27Å; E72-V95 WeakPolarHBondContact O-CG1 3.42Å; L73-V95 HydrophobicContact CD2-CB 4.1Å; L73-V95 HydrophobicContact CD2-CG1 4Å; A76-V95 HydrophobicContact CB-CB 4.36Å; A76-V95 HydrophobicContact CB-CG1 3.5Å; A76-V95 VanDerWaalsContact CB-CG1 3.5Å; A76-V95 HydrophobicContact CB-CG2 3.87Å; I92-V95 HydrophobicContact CG2-CG2 3.87Å; V95-K97 PolarHBondContact O-N 3.07Å; V95-K97 VanDerWaalsContact O-N 3.16Å; V95-W98 PolarHBondContact N-O 3.09Å; V95-W98 WeakPolarHBondContact O-CB 3.25Å; V95-W98 PolarHBondContact O-N 3.1Å; V95-V101 HydrophobicContact CB-CG2 4.05Å; V95-V101 HydrophobicContact CG2-CB 4.45Å; V95-V101 HydrophobicContact CG2-CG1 4.28Å; V95-V101 HydrophobicContact CG2-CG2 4.02Å; V95-Y173 HydrophobicContact CG2-CD2 4.13Å; V95-Y173 HydrophobicContact CG2-CE2 4.26Å
96	G	94.8	Very high	94.6	Very high	55 Å²	55	65.1 Å²	65.1	57%	0.567	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-120.2	-175.8	0	0	0	0	0	111.3	E72 W98	E72-G96 WeakPolarHBondContact OE1-CA 3.22Å; G96-W98 VanDerWaalsContact C-N 3.34Å
97	K	95.3	Very high	94.9	Very high	132 Å²	132	66.1 Å²	66.1	57%	0.574	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.9	176.5	73.9	-161.4	176	-138.3	0	115.1	D70 E72 V95	D70-K97 IonicContact OD2-NZ 2.83Å; D70-K97 PolarHBondContact OD2-NZ 2.9Å; E72-K97 PolarHBondContact OE2-N 3.07Å; V95-K97 PolarHBondContact O-N 3.07Å; V95-K97 VanDerWaalsContact O-N 3.16Å
98	W	97.5	Very high	95.1	Very high	33 Å²	33	59.3 Å²	59.3	13%	0.125	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-94.5	126.9	-174	-50	113.4	0	0	0	111.7	D70 L73 N94 V95 G96 V101 Y151	D70-W98 HydrophobicContact CB-CZ2 4.36Å; D70-W98 PolarHBondContact OD1-NE1 3.42Å; D70-W98 VanDerWaalsContact OD2-CZ2 3.3Å; D70-W98 WeakPolarHBondContact OD2-CZ2 3.09Å; D70-W98 PolarHBondContact OD2-NE1 3.22Å; L73-W98 HydrophobicContact CD2-CB 4.47Å; L73-W98 VanDerWaalsContact CD2-CD1 3.46Å; L73-W98 HydrophobicContact CD2-CG 4.09Å; N94-W98 CarbonylContact C-O 3.58Å; N94-W98 VanDerWaalsContact CA-O 3.22Å; N94-W98 WeakPolarHBondContact CA-O 3.38Å; N94-W98 WeakPolarHBondContact CB-O 3.5Å; V95-W98 PolarHBondContact N-O 3.09Å; V95-W98 WeakPolarHBondContact O-CB 3.25Å; V95-W98 PolarHBondContact O-N 3.1Å; G96-W98 VanDerWaalsContact C-N 3.34Å; W98-V101 HydrophobicContact CB-CG2 3.73Å; W98-Y151 AromaticContact CH2-CD1 3.92Å; W98-Y151 HydrophobicContact CH2-CD1 3.92Å; W98-Y151 AromaticContact CH2-CD2 3.21Å; W98-Y151 HydrophobicContact CH2-CD2 3.21Å; W98-Y151 AromaticContact CH2-CE1 3.94Å; W98-Y151 HydrophobicContact CH2-CE1 3.94Å; W98-Y151 AromaticContact CH2-CE2 3.29Å; W98-Y151 HydrophobicContact CH2-CE2 3.29Å; W98-Y151 AromaticContact CH2-CG 3.55Å; W98-Y151 HydrophobicContact CH2-CG 3.55Å; W98-Y151 AromaticContact CH2-CZ 3.64Å; W98-Y151 AromaticContact CZ2-CD1 3.79Å; W98-Y151 HydrophobicContact CZ2-CD1 3.79Å; W98-Y151 AromaticContact CZ2-CD2 3.76Å; W98-Y151 HydrophobicContact CZ2-CD2 3.76Å; W98-Y151 HydrophobicContact CZ2-CE1 4.14Å; W98-Y151 HydrophobicContact CZ2-CE2 4.15Å; W98-Y151 AromaticContact CZ2-CG 3.57Å; W98-Y151 HydrophobicContact CZ2-CG 3.57Å; W98-Y151 AromaticContact CZ3-CD2 3.8Å; W98-Y151 HydrophobicContact CZ3-CD2 3.8Å; W98-Y151 AromaticContact CZ3-CE2 3.91Å; W98-Y151 HydrophobicContact CZ3-CE2 3.91Å; W98-Y151 HydrophobicContact CZ3-CG 4.45Å
99	D	95.6	Very high	95.2	Very high	131 Å²	131	60.5 Å²	60.5	70%	0.701	34%	0.342	S	S	*	.	S	Bend	trans	-103.1	-8.9	-179	62.8	-7	0	0	0	114.1	N94	N94-D99 WeakPolarHBondContact OD1-CA 3.5Å
100	S	96.2	Very high	95.6	Very high	32 Å²	32	58.2 Å²	58.2	22%	0.224	33%	0.331	C	S	.	.	S	Bend	trans	-134.7	91	-179	-175	0	0	0	0	109.8	P176 K177	S100-P176 CarbonylContact O-C 3.58Å; S100-P176 VanDerWaalsContact O-CA 3.32Å; S100-P176 WeakPolarHBondContact O-CA 3.49Å; S100-K177 PolarHBondContact O-N 2.87Å; S100-K177 WeakPolarHBondContact OG-CG 3.21Å
101	V	98.2	Very high	95.9	Very high	11 Å²	11	53 Å²	53	7%	0.067	31%	0.307	C	S	.	.			trans	-114.4	129.9	-174.4	-175.8	0	0	0	0	110.9	L73 I92 V95 W98 Y173 Y174 K177	L73-V101 HydrophobicContact CD2-CG1 3.98Å; L73-V101 HydrophobicContact CD2-CG2 4.06Å; I92-V101 HydrophobicContact CD1-CG1 4.44Å; I92-V101 WeakPolarHBondContact CD1-O 3.41Å; I92-V101 HydrophobicContact CG2-CB 3.84Å; I92-V101 HydrophobicContact CG2-CG1 3.84Å; V95-V101 HydrophobicContact CB-CG2 4.05Å; V95-V101 HydrophobicContact CG2-CB 4.45Å; V95-V101 HydrophobicContact CG2-CG1 4.28Å; V95-V101 HydrophobicContact CG2-CG2 4.02Å; W98-V101 HydrophobicContact CB-CG2 3.73Å; V101-Y173 HydrophobicContact CG1-CD2 3.61Å; V101-Y173 HydrophobicContact CG1-CE2 4.39Å; V101-Y173 HydrophobicContact CG1-CG 4.03Å; V101-Y174 VanDerWaalsContact CA-O 3.29Å; V101-Y174 WeakPolarHBondContact CA-O 3.26Å; V101-K177 VanDerWaalsContact C-CB 3.47Å
102	G	97.3	Very high	96.2	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	158.3	172	0	0	0	0	0	110.7	Y173 Y174	G102-Y173 CarbonylContact O-C 3.55Å; G102-Y173 VanDerWaalsContact O-CA 3.26Å; G102-Y173 WeakPolarHBondContact O-CA 3.32Å; G102-Y174 PolarHBondContact N-O 3.47Å; G102-Y174 PolarHBondContact O-N 3.46Å
103	R	97.6	Very high	96.4	Very high	61 Å²	61	50.2 Å²	50.2	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.4	177.2	176.7	178.1	70.7	-142.5	-0.5	110.4	D88 I92 C172 Y173	D88-R103 PolarHBondContact O-NH2 2.62Å; I92-R103 HydrophobicContact CD1-CB 3.6Å; R103-C172 WeakPolarHBondContact CA-O 3.41Å; R103-Y173 HydrophobicContact CB-CD1 4.06Å; R103-Y173 HydrophobicContact CB-CE1 3.86Å; R103-Y173 VanDerWaalsContact CD-CE1 3.41Å; R103-Y173 HydrophobicContact CG-CD1 3.92Å; R103-Y173 HydrophobicContact CG-CE1 3.5Å
104	N	97.8	Very high	96.7	Very high	6 Å²	6	48 Å²	48	3%	0.032	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.7	157.2	-69.8	-8.4	0	0	0	108.8	W118 T140 A171 C172 Y174	N104-W118 HydrophobicContact CB-CD2 3.68Å; N104-W118 HydrophobicContact CB-CE3 3.87Å; N104-W118 HydrophobicContact CB-CG 4.34Å; N104-W118 HydrophobicContact CB-CH2 3.81Å; N104-W118 HydrophobicContact CB-CZ2 3.63Å; N104-W118 HydrophobicContact CB-CZ3 3.93Å; N104-T140 PolarHBondContact ND2-O 3.06Å; N104-T140 WeakPolarHBondContact OD1-CA 3.1Å; N104-A171 CarbonylContact O-C 3.56Å; N104-A171 VanDerWaalsContact O-CA 3.32Å; N104-A171 WeakPolarHBondContact O-CA 3.3Å; N104-C172 PolarHBondContact N-O 3.26Å; N104-C172 PolarHBondContact O-N 3.27Å; N104-Y174 HydrophobicContact CB-CE2 3.79Å; N104-Y174 PolarHBondContact ND2-OH 3Å
105	S	97.3	Very high	96.8	Very high	33 Å²	33	42.2 Å²	42.2	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.7	176.3	53.8	0	0	0	0	111.1	W80 W118 V170	W80-S105 VanDerWaalsContact CH2-CB 3.49Å; S105-W118 PolarHBondContact O-NE1 3.48Å; S105-W118 VanDerWaalsContact O-NE1 3.17Å; S105-V170 CarbonylContact C-O 3.5Å; S105-V170 WeakPolarHBondContact CA-O 3.3Å
106	A	96.4	Very high	96.9	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	152.1	173.3	0	0	0	0	0	110.1	Q108 A114 Y117 W118 V170	A106-Q108 HydrophobicContact CB-CG 4.08Å; A106-A114 HydrophobicContact CB-CB 4.38Å; A106-Y117 HydrophobicContact CB-CD1 3.88Å; A106-Y117 HydrophobicContact CB-CE1 4.22Å; A106-W118 HydrophobicContact CB-CZ2 4.16Å; A106-V170 PolarHBondContact N-O 3.49Å; A106-V170 PolarHBondContact O-N 3.14Å
107	I	96.7	Very high	97	Very high	46 Å²	46	46.6 Å²	46.6	24%	0.236	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.7	167.1	-62.7	163.7	0	0	0	107.2	P86 Y162 S166 M168 L169	P86-I107 HydrophobicContact CB-CD1 4.35Å; P86-I107 HydrophobicContact CG-CD1 3.92Å; I107-Y162 HydrophobicContact CD1-CD1 3.61Å; I107-Y162 HydrophobicContact CD1-CD2 3.72Å; I107-Y162 HydrophobicContact CD1-CE1 3.37Å; I107-Y162 HydrophobicContact CD1-CE2 3.52Å; I107-Y162 HydrophobicContact CD1-CG 3.82Å; I107-Y162 HydrophobicContact CG1-CD2 4.25Å; I107-Y162 HydrophobicContact CG1-CE2 4.22Å; I107-Y162 HydrophobicContact CG2-CD2 4.46Å; I107-Y162 HydrophobicContact CG2-CG 4.28Å; I107-S166 WeakPolarHBondContact CG2-O 3.36Å; I107-M168 VanDerWaalsContact CA-O 3.31Å; I107-M168 WeakPolarHBondContact CA-O 3.41Å; I107-L169 HydrophobicContact CG1-CD1 4.06Å
108	Q	96.2	Very high	97.2	Very high	21 Å²	21	40.3 Å²	40.3	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	174.7	-178.7	-64	-59.8	-0.8	0	0	111.8	A106 E113 A114 Y117 M168	A106-Q108 HydrophobicContact CB-CG 4.08Å; Q108-E113 HydrophobicContact CB-CB 4.21Å; Q108-E113 HydrophobicContact CB-CG 4.24Å; Q108-E113 HydrophobicContact CG-CB 4.4Å; Q108-E113 HydrophobicContact CG-CG 4.18Å; Q108-A114 HydrophobicContact CG-CB 4.04Å; Q108-Y117 VanDerWaalsContact NE2-CB 3.28Å; Q108-Y117 VanDerWaalsContact NE2-CG 3.26Å; Q108-M168 PolarHBondContact N-O 3.43Å; Q108-M168 VanDerWaalsContact O-CB 3.29Å; Q108-M168 WeakPolarHBondContact O-CB 3.38Å; Q108-M168 PolarHBondContact O-N 2.94Å; Q108-M168 VanDerWaalsContact O-N 3.1Å
109	S	94.8	Very high	97.2	Very high	41 Å²	41	39 Å²	39	29%	0.287	21%	0.213	S	C	.	.	S	Bend	trans	-86.6	-33.4	173.8	68.8	0	0	0	0	112.1	E113 P165	S109-E113 PolarHBondContact N-OE2 3.34Å; S109-E113 VanDerWaalsContact N-OE2 3.09Å; S109-E113 PolarHBondContact OG-OE2 2.97Å; S109-P165 WeakPolarHBondContact CA-O 3.06Å; S109-P165 WeakPolarHBondContact CB-O 3.31Å
110	E	95.8	Very high	97.3	Very high	130 Å²	130	38.5 Å²	38.5	61%	0.607	21%	0.205	S	C	*	.	S	Bend	trans	-131.8	153.8	-175.8	-65.7	-64.3	162.9	0	0	112.2	A112 E113	E110-A112 PolarHBondContact O-N 2.98Å; E110-E113 HydrophobicContact CB-CB 4.19Å; E110-E113 PolarHBondContact N-OE2 2.93Å; E110-E113 WeakPolarHBondContact O-CB 3.42Å; E110-E113 PolarHBondContact O-N 3Å
111	L	97.7	Very high	97.4	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-47.8	-176.1	-72.6	174.8	0	0	0	112.3	L30 E34 M38 E113 A114 Y156 M168 V170	L30-L111 HydrophobicContact CD2-CD1 4.46Å; L30-L111 HydrophobicContact CG-CD1 4.41Å; E34-L111 HydrophobicContact CB-CD1 3.7Å; E34-L111 HydrophobicContact CG-CD1 3.72Å; M38-L111 HydrophobicContact CG-CB 4.5Å; M38-L111 HydrophobicContact SD-CB 3.74Å; L111-E113 PolarHBondContact O-N 3.28Å; L111-A114 WeakPolarHBondContact O-CB 3.47Å; L111-A114 PolarHBondContact O-N 2.96Å; L111-Y156 HydrophobicContact CD2-CD1 3.71Å; L111-Y156 HydrophobicContact CD2-CE1 4.43Å; L111-Y156 HydrophobicContact CD2-CG 4.02Å; L111-M168 HydrophobicContact CB-CE 4.46Å; L111-M168 HydrophobicContact CD2-CE 3.83Å; L111-M168 HydrophobicContact CD2-SD 3.94Å; L111-M168 HydrophobicContact CG-CE 3.9Å; L111-M168 HydrophobicContact CG-SD 4.33Å; L111-M168 VanDerWaalsContact N-CE 3.32Å; L111-V170 HydrophobicContact CD2-CG1 4.26Å; L111-V170 HydrophobicContact CD2-CG2 4.03Å
112	A	97.8	Very high	97.3	Very high	38 Å²	38	38.1 Å²	38.1	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-68	-25.1	-179.8	0	0	0	0	0	112.7	V41 E110 A114 V115 A116	V41-A112 HydrophobicContact CG1-CB 4.36Å; E110-A112 PolarHBondContact O-N 2.98Å; A112-A114 VanDerWaalsContact C-N 3.27Å; A112-A114 PolarHBondContact O-N 2.78Å; A112-V115 PolarHBondContact O-N 2.99Å; A112-A116 PolarHBondContact O-N 3.5Å
113	E	97.5	Very high	97.3	Very high	76 Å²	76	41.8 Å²	41.8	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-64.7	-32.5	175.6	-173.7	177.6	-153.5	0	0	111.3	Q108 S109 E110 L111 V115 A116 Y117	Q108-E113 HydrophobicContact CB-CB 4.21Å; Q108-E113 HydrophobicContact CB-CG 4.24Å; Q108-E113 HydrophobicContact CG-CB 4.4Å; Q108-E113 HydrophobicContact CG-CG 4.18Å; S109-E113 PolarHBondContact N-OE2 3.34Å; S109-E113 VanDerWaalsContact N-OE2 3.09Å; S109-E113 PolarHBondContact OG-OE2 2.97Å; E110-E113 HydrophobicContact CB-CB 4.19Å; E110-E113 PolarHBondContact N-OE2 2.93Å; E110-E113 WeakPolarHBondContact O-CB 3.42Å; E110-E113 PolarHBondContact O-N 3Å; L111-E113 PolarHBondContact O-N 3.28Å; E113-V115 PolarHBondContact O-N 3.02Å; E113-A116 PolarHBondContact O-N 3.19Å; E113-Y117 VanDerWaalsContact O-CB 3.25Å; E113-Y117 WeakPolarHBondContact O-CB 3.38Å; E113-Y117 PolarHBondContact O-N 3.09Å
114	A	98.1	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-42.7	174.6	0	0	0	0	0	112.1	A106 Q108 L111 A112 Y117 W118 V170	A106-A114 HydrophobicContact CB-CB 4.38Å; Q108-A114 HydrophobicContact CG-CB 4.04Å; L111-A114 WeakPolarHBondContact O-CB 3.47Å; L111-A114 PolarHBondContact O-N 2.96Å; A112-A114 VanDerWaalsContact C-N 3.27Å; A112-A114 PolarHBondContact O-N 2.78Å; A114-Y117 PolarHBondContact O-N 3.22Å; A114-W118 HydrophobicContact CB-CH2 4.1Å; A114-W118 HydrophobicContact CB-CZ2 4.11Å; A114-W118 HydrophobicContact CB-CZ3 4.48Å; A114-W118 VanDerWaalsContact O-CG 3.29Å; A114-W118 PolarHBondContact O-N 2.98Å; A114-W118 VanDerWaalsContact O-N 3.07Å; A114-V170 HydrophobicContact CB-CB 3.81Å; A114-V170 HydrophobicContact CB-CG1 3.81Å; A114-V170 HydrophobicContact CB-CG2 4.11Å
115	V	98.6	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-43.9	177.4	-174.4	0	0	0	0	110.7	M38 V41 H42 A112 E113 Y117 W118 M119 I144	M38-V115 HydrophobicContact CE-CG2 3.53Å; M38-V115 HydrophobicContact SD-CG2 4.1Å; V41-V115 HydrophobicContact CB-CG1 4.44Å; V41-V115 HydrophobicContact CG2-CB 3.9Å; V41-V115 HydrophobicContact CG2-CG1 3.96Å; V41-V115 HydrophobicContact CG2-CG2 3.66Å; H42-V115 VanDerWaalsContact CE1-CG2 3.47Å; H42-V115 WeakPolarHBondContact CE1-CG2 3.44Å; A112-V115 PolarHBondContact O-N 2.99Å; E113-V115 PolarHBondContact O-N 3.02Å; V115-Y117 VanDerWaalsContact C-N 3.31Å; V115-Y117 PolarHBondContact O-N 2.66Å; V115-W118 HydrophobicContact CG2-CE3 4.39Å; V115-W118 HydrophobicContact CG2-CZ3 4.21Å; V115-W118 PolarHBondContact O-N 3Å; V115-M119 HydrophobicContact CG1-CG 4.34Å; V115-M119 WeakPolarHBondContact O-CB 3.44Å; V115-M119 VanDerWaalsContact O-CG 3.24Å; V115-M119 WeakPolarHBondContact O-CG 3.41Å; V115-M119 PolarHBondContact O-N 2.9Å; V115-I144 HydrophobicContact CG1-CD1 4.26Å
116	A	98	Very high	97.2	Very high	53 Å²	53	44 Å²	44	44%	0.438	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-40.6	175.9	0	0	0	0	0	112.1	A112 E113 M119 K120	A112-A116 PolarHBondContact O-N 3.5Å; E113-A116 PolarHBondContact O-N 3.19Å; A116-M119 PolarHBondContact O-N 2.85Å; A116-K120 PolarHBondContact O-N 2.93Å
117	Y	97.9	Very high	97.1	Very high	107 Å²	107	44.1 Å²	44.1	42%	0.42	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-49.6	176	172.2	-97.1	0	0	0	111.9	A106 Q108 E113 A114 V115 M119 K120	A106-Y117 HydrophobicContact CB-CD1 3.88Å; A106-Y117 HydrophobicContact CB-CE1 4.22Å; Q108-Y117 VanDerWaalsContact NE2-CB 3.28Å; Q108-Y117 VanDerWaalsContact NE2-CG 3.26Å; E113-Y117 VanDerWaalsContact O-CB 3.25Å; E113-Y117 WeakPolarHBondContact O-CB 3.38Å; E113-Y117 PolarHBondContact O-N 3.09Å; A114-Y117 PolarHBondContact O-N 3.22Å; V115-Y117 VanDerWaalsContact C-N 3.31Å; V115-Y117 PolarHBondContact O-N 2.66Å; Y117-M119 VanDerWaalsContact C-N 3.31Å; Y117-M119 PolarHBondContact O-N 2.93Å; Y117-K120 WeakPolarHBondContact O-CB 3.47Å; Y117-K120 PolarHBondContact O-N 2.79Å
118	W	98.4	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-37.9	176.1	-60.7	-35.9	0	0	0	112.3	N104 S105 A106 A114 V115 K120 E121 T140 Y141 I144 V170 C172	N104-W118 HydrophobicContact CB-CD2 3.68Å; N104-W118 HydrophobicContact CB-CE3 3.87Å; N104-W118 HydrophobicContact CB-CG 4.34Å; N104-W118 HydrophobicContact CB-CH2 3.81Å; N104-W118 HydrophobicContact CB-CZ2 3.63Å; N104-W118 HydrophobicContact CB-CZ3 3.93Å; S105-W118 PolarHBondContact O-NE1 3.48Å; S105-W118 VanDerWaalsContact O-NE1 3.17Å; A106-W118 HydrophobicContact CB-CZ2 4.16Å; A114-W118 HydrophobicContact CB-CH2 4.1Å; A114-W118 HydrophobicContact CB-CZ2 4.11Å; A114-W118 HydrophobicContact CB-CZ3 4.48Å; A114-W118 VanDerWaalsContact O-CG 3.29Å; A114-W118 PolarHBondContact O-N 2.98Å; A114-W118 VanDerWaalsContact O-N 3.07Å; V115-W118 HydrophobicContact CG2-CE3 4.39Å; V115-W118 HydrophobicContact CG2-CZ3 4.21Å; V115-W118 PolarHBondContact O-N 3Å; W118-K120 VanDerWaalsContact C-N 3.32Å; W118-K120 PolarHBondContact O-N 2.89Å; W118-E121 WeakPolarHBondContact O-CB 3.39Å; W118-E121 PolarHBondContact O-N 2.05Å; W118-T140 HydrophobicContact CG-CG2 4.38Å; W118-Y141 WeakPolarHBondContact O-CA 3.48Å; W118-Y141 WeakPolarHBondContact O-CB 3.45Å; W118-Y141 PolarHBondContact O-N 3.27Å; W118-I144 HydrophobicContact CB-CD1 3.68Å; W118-I144 HydrophobicContact CE3-CD1 4Å; W118-V170 HydrophobicContact CH2-CG1 4.39Å; W118-C172 HydrophobicContact CH2-CB 4.09Å; W118-C172 HydrophobicContact CZ3-CB 4.07Å
119	M	98.1	Very high	96.9	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-28.4	179.7	-73.8	-60.3	-48.4	0	0	113.2	H45 V115 A116 Y117 E121 S122 Y141 I144 V145	H45-M119 HydrophobicContact CB-CE 3.85Å; H45-M119 HydrophobicContact CB-CG 4.14Å; H45-M119 HydrophobicContact CB-SD 3.89Å; V115-M119 HydrophobicContact CG1-CG 4.34Å; V115-M119 WeakPolarHBondContact O-CB 3.44Å; V115-M119 VanDerWaalsContact O-CG 3.24Å; V115-M119 WeakPolarHBondContact O-CG 3.41Å; V115-M119 PolarHBondContact O-N 2.9Å; A116-M119 PolarHBondContact O-N 2.85Å; Y117-M119 VanDerWaalsContact C-N 3.31Å; Y117-M119 PolarHBondContact O-N 2.93Å; M119-E121 PolarHBondContact O-N 2.98Å; M119-E121 VanDerWaalsContact O-N 3.15Å; M119-S122 WeakPolarHBondContact O-CB 3.37Å; M119-S122 PolarHBondContact O-N 3.13Å; M119-S122 PolarHBondContact O-OG 2.86Å; M119-Y141 HydrophobicContact CE-CD2 3.62Å; M119-Y141 HydrophobicContact CE-CE2 3.74Å; M119-Y141 HydrophobicContact SD-CD2 3.99Å; M119-I144 HydrophobicContact CG-CD1 3.89Å; M119-I144 HydrophobicContact SD-CB 3.85Å; M119-I144 HydrophobicContact SD-CD1 3.72Å; M119-I144 HydrophobicContact SD-CG1 4.41Å; M119-I144 HydrophobicContact SD-CG2 3.62Å; M119-V145 HydrophobicContact CE-CG1 4.01Å; M119-V145 HydrophobicContact SD-CG1 4.27Å
120	K	97.5	Very high	96.9	Very high	119 Å²	119	50.3 Å²	50.3	52%	0.517	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-23.5	174.4	-170.8	178.3	179	-176.9	0	112.7	A116 Y117 W118 S122 N123	A116-K120 PolarHBondContact O-N 2.93Å; Y117-K120 WeakPolarHBondContact O-CB 3.47Å; Y117-K120 PolarHBondContact O-N 2.79Å; W118-K120 VanDerWaalsContact C-N 3.32Å; W118-K120 PolarHBondContact O-N 2.89Å; K120-S122 PolarHBondContact O-N 3.27Å; K120-S122 VanDerWaalsContact O-N 3.13Å; K120-N123 PolarHBondContact O-N 3Å
121	E	97.8	Very high	97	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.061	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.6	-11.6	175.4	-60.5	-66.9	128.5	0	0	113.4	W118 M119 N123 Y124 H136 H137	W118-E121 WeakPolarHBondContact O-CB 3.39Å; W118-E121 PolarHBondContact O-N 2.05Å; M119-E121 PolarHBondContact O-N 2.98Å; M119-E121 VanDerWaalsContact O-N 3.15Å; E121-N123 PolarHBondContact O-N 2.84Å; E121-Y124 PolarHBondContact O-N 2.95Å; E121-H136 IonicContact OE1-ND1 3.7Å; E121-H136 WeakPolarHBondContact OE2-CB 3.26Å; E121-H136 IonicContact OE2-CG 3.84Å; E121-H136 IonicContact OE2-ND1 3.45Å; E121-H136 PolarHBondContact OE2-ND1 2.95Å; E121-H137 PolarHBondContact OE2-N 3.39Å
122	S	97.1	Very high	97	Very high	23 Å²	23	51.4 Å²	51.4	16%	0.161	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.5	171.1	64.3	0	0	0	0	113.1	M119 K120 Y124 Y125	M119-S122 WeakPolarHBondContact O-CB 3.37Å; M119-S122 PolarHBondContact O-N 3.13Å; M119-S122 PolarHBondContact O-OG 2.86Å; K120-S122 PolarHBondContact O-N 3.27Å; K120-S122 VanDerWaalsContact O-N 3.13Å; S122-Y124 PolarHBondContact O-N 2.75Å; S122-Y125 PolarHBondContact O-N 3.44Å
123	N	96.5	Very high	97	Very high	84 Å²	84	54.5 Å²	54.5	45%	0.449	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-70.4	-14.1	-176.5	-64.3	1.8	0	0	0	112.7	K120 E121	K120-N123 PolarHBondContact O-N 3Å; E121-N123 PolarHBondContact O-N 2.84Å
124	Y	97.3	Very high	97	Very high	62 Å²	62	56.4 Å²	56.4	24%	0.243	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-116.3	9.9	-176.6	-50.4	-71.8	0	0	0	111.9	E121 S122 C132 E133 H136 C138	E121-Y124 PolarHBondContact O-N 2.95Å; S122-Y124 PolarHBondContact O-N 2.75Å; Y124-C132 CarbonylContact O-C 3.58Å; Y124-C132 WeakPolarHBondContact O-CA 3.18Å; Y124-E133 PolarHBondContact O-N 2.75Å; Y124-H136 AromaticContact CD1-CD2 3.67Å; Y124-H136 AromaticContact CD1-CE1 3.69Å; Y124-H136 AromaticContact CD1-NE2 3.47Å; Y124-H136 WeakPolarHBondContact CD1-NE2 3.18Å; Y124-H136 HydrophobicContact CD2-CB 4.46Å; Y124-H136 AromaticContact CD2-CE1 3.34Å; Y124-H136 WeakPolarHBondContact CD2-CE1 2.84Å; Y124-H136 AromaticContact CD2-CG 3.67Å; Y124-H136 AromaticContact CD2-ND1 3.14Å; Y124-H136 WeakPolarHBondContact CD2-ND1 3.29Å; Y124-H136 AromaticContact CD2-NE2 3.96Å; Y124-H136 AromaticContact CE1-CE1 3.54Å; Y124-H136 AromaticContact CE1-NE2 3.45Å; Y124-H136 WeakPolarHBondContact CE1-NE2 3.34Å; Y124-H136 AromaticContact CE2-CE1 3.17Å; Y124-H136 WeakPolarHBondContact CE2-CE1 3.34Å; Y124-H136 AromaticContact CE2-ND1 3.42Å; Y124-H136 WeakPolarHBondContact CE2-ND1 3.41Å; Y124-H136 AromaticContact CE2-NE2 3.95Å; Y124-H136 HydrophobicContact CG-CB 4.26Å; Y124-H136 AromaticContact CG-CD2 3.64Å; Y124-H136 AromaticContact CG-CE1 3.58Å; Y124-H136 AromaticContact CG-CG 3.5Å; Y124-H136 VanDerWaalsContact CG-CG 3.5Å; Y124-H136 AromaticContact CG-ND1 3.47Å; Y124-H136 AromaticContact CG-NE2 3.72Å; Y124-H136 AromaticContact CZ-CE1 3.26Å; Y124-H136 AromaticContact CZ-ND1 3.97Å; Y124-H136 AromaticContact CZ-NE2 3.68Å; Y124-C138 PolarHBondContact O-SG 2.95Å; Y124-C138 VanDerWaalsContact O-SG 3.34Å
125	Y	97.7	Very high	96.8	Very high	17 Å²	17	62.1 Å²	62.1	7%	0.067	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.3	-178.1	179.5	-104.6	0	0	0	110.9	S122 H127 D130 C138 Y141 K142 S182 P183	S122-Y125 PolarHBondContact O-N 3.44Å; Y125-H127 AromaticContact CD1-CD2 3.51Å; Y125-H127 AromaticContact CD1-NE2 3.56Å; Y125-H127 HydrophobicContact CE1-CB 4.38Å; Y125-H127 AromaticContact CE1-CD2 3.53Å; Y125-H127 AromaticContact CE1-CE1 3.74Å; Y125-H127 AromaticContact CE1-CG 3.67Å; Y125-H127 AromaticContact CE1-ND1 3.79Å; Y125-H127 AromaticContact CE1-NE2 3.58Å; Y125-D130 VanDerWaalsContact CE2-OD1 3.28Å; Y125-D130 WeakPolarHBondContact CE2-OD1 3.34Å; Y125-D130 VanDerWaalsContact CZ-OD1 3.3Å; Y125-D130 PolarHBondContact OH-OD1 2.83Å; Y125-C138 HydrophobicContact CD2-CB 3.83Å; Y125-C138 HydrophobicContact CG-CB 4.16Å; Y125-Y141 HydrophobicContact CD1-CD1 4.11Å; Y125-Y141 AromaticContact CD1-CE1 3.58Å; Y125-Y141 HydrophobicContact CD1-CE1 3.58Å; Y125-Y141 HydrophobicContact CE1-CE1 4.21Å; Y125-Y141 HydrophobicContact CG-CD1 4.27Å; Y125-Y141 HydrophobicContact CG-CE1 4.18Å; Y125-K142 HydrophobicContact CD2-CD 4.18Å; Y125-K142 HydrophobicContact CE1-CG 4.5Å; Y125-K142 HydrophobicContact CE2-CD 3.7Å; Y125-K142 HydrophobicContact CE2-CG 4.31Å; Y125-S182 VanDerWaalsContact OH-CA 3.32Å; Y125-S182 WeakPolarHBondContact OH-CA 3.45Å; Y125-P183 HydrophobicContact CE1-CG 4.32Å; Y125-P183 WeakPolarHBondContact OH-CD 3.33Å
126	D	95.7	Very high	96.7	Very high	69 Å²	69	64.9 Å²	64.9	37%	0.369	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.7	175.7	176.6	9.3	0	0	0	110.7	N128 S129 D130 L131	D126-N128 VanDerWaalsContact C-N 3.25Å; D126-N128 PolarHBondContact O-N 3.39Å; D126-N128 WeakPolarHBondContact OD1-CB 3.35Å; D126-N128 PolarHBondContact OD1-N 3.17Å; D126-N128 PolarHBondContact OD1-ND2 2.85Å; D126-S129 WeakPolarHBondContact CB-OG 3.47Å; D126-S129 PolarHBondContact O-N 3.23Å; D126-S129 WeakPolarHBondContact OD2-CB 3.34Å; D126-S129 PolarHBondContact OD2-OG 2.92Å; D126-D130 VanDerWaalsContact O-CA 3.28Å; D126-D130 WeakPolarHBondContact O-CA 3.32Å; D126-D130 PolarHBondContact O-N 3.22Å; D126-L131 PolarHBondContact N-O 2.68Å; D126-L131 PolarHBondContact O-N 2.94Å
127	H	94.7	Very high	96.5	Very high	11 Å²	11	68.4 Å²	68.4	5%	0.051	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.2	178.5	-80.7	-100.1	0	0	0	113.9	V58 Y125 Y141 S182 Y184	V58-H127 HydrophobicContact CG1-CB 4.03Å; Y125-H127 AromaticContact CD1-CD2 3.51Å; Y125-H127 AromaticContact CD1-NE2 3.56Å; Y125-H127 HydrophobicContact CE1-CB 4.38Å; Y125-H127 AromaticContact CE1-CD2 3.53Å; Y125-H127 AromaticContact CE1-CE1 3.74Å; Y125-H127 AromaticContact CE1-CG 3.67Å; Y125-H127 AromaticContact CE1-ND1 3.79Å; Y125-H127 AromaticContact CE1-NE2 3.58Å; H127-Y141 PolarHBondContact CE1-OH 3.36Å; H127-Y141 AromaticContact NE2-CE1 3.75Å; H127-Y141 AromaticContact NE2-CZ 3.72Å; H127-Y141 PolarHBondContact NE2-OH 3.16Å; H127-S182 PolarHBondContact O-OG 3.45Å; H127-Y184 AromaticContact CE1-CE1 3.64Å; H127-Y184 AromaticContact CE1-CE2 3.64Å; H127-Y184 AromaticContact CE1-CZ 3.26Å; H127-Y184 PolarHBondContact CE1-OH 2.94Å; H127-Y184 AromaticContact ND1-CE2 3.94Å; H127-Y184 AromaticContact NE2-CZ 3.93Å
128	N	92.3	Very high	96.5	Very high	130 Å²	130	63.4 Å²	63.4	70%	0.695	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-40.6	-178.9	-65.9	-64	0	0	0	111.9	D126	D126-N128 VanDerWaalsContact C-N 3.25Å; D126-N128 PolarHBondContact O-N 3.39Å; D126-N128 WeakPolarHBondContact OD1-CB 3.35Å; D126-N128 PolarHBondContact OD1-N 3.17Å; D126-N128 PolarHBondContact OD1-ND2 2.85Å
129	S	95.1	Very high	96.5	Very high	55 Å²	55	68.1 Å²	68.1	39%	0.385	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-11	-179	63.7	0	0	0	0	113.9	D126 L131	D126-S129 WeakPolarHBondContact CB-OG 3.47Å; D126-S129 PolarHBondContact O-N 3.23Å; D126-S129 WeakPolarHBondContact OD2-CB 3.34Å; D126-S129 PolarHBondContact OD2-OG 2.92Å; S129-L131 PolarHBondContact O-N 3.1Å; S129-L131 WeakPolarHBondContact OG-CB 3.29Å
130	D	95.8	Very high	96.4	Very high	52 Å²	52	68.9 Å²	68.9	28%	0.278	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.5	-168.7	-171.4	36.2	0	0	0	112.5	Y125 D126 K142 G181	Y125-D130 VanDerWaalsContact CE2-OD1 3.28Å; Y125-D130 WeakPolarHBondContact CE2-OD1 3.34Å; Y125-D130 VanDerWaalsContact CZ-OD1 3.3Å; Y125-D130 PolarHBondContact OH-OD1 2.83Å; D126-D130 VanDerWaalsContact O-CA 3.28Å; D126-D130 WeakPolarHBondContact O-CA 3.32Å; D126-D130 PolarHBondContact O-N 3.22Å; D130-K142 IonicContact OD1-NZ 3.76Å; D130-K142 PolarHBondContact OD1-NZ 3.45Å; D130-K142 IonicContact OD2-NZ 2.76Å; D130-G181 VanDerWaalsContact OD2-C 3.3Å; D130-G181 WeakPolarHBondContact OD2-CA 3.36Å; D130-G181 PolarHBondContact OD2-N 3.29Å
131	L	96.8	Very high	96.5	Very high	115 Å²	115	63.3 Å²	63.3	60%	0.602	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.2	178.7	-62.6	178.9	0	0	0	111	D126 S129	D126-L131 PolarHBondContact N-O 2.68Å; D126-L131 PolarHBondContact O-N 2.94Å; S129-L131 PolarHBondContact O-N 3.1Å; S129-L131 WeakPolarHBondContact OG-CB 3.29Å
132	C	97.6	Very high	96.5	Very high	48 Å²	48	63.2 Å²	63.2	32%	0.324	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.6	168.8	-170.8	0	0	0	0	108.6	Y124 C138	Y124-C132 CarbonylContact O-C 3.58Å; Y124-C132 WeakPolarHBondContact O-CA 3.18Å; C132-C138 VanDerWaalsContact CA-SG 3.55Å; C132-C138 HydrophobicContact CB-CB 3.67Å; C132-C138 WeakPolarHBondContact CB-SG 3.46Å; C132-C138 WeakPolarHBondContact SG-CB 3.31Å; C132-C138 PolarHBondContact SG-N 3.3Å; C132-C138 CovalentContact SG-SG 2.04Å; C132-C138 PolarHBondContact SG-SG 3.31Å
133	E	98	Very high	96.5	Very high	104 Å²	104	62.5 Å²	62.5	49%	0.486	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-57.8	148.8	175.5	-66.9	-172.7	-163.4	0	0	111.5	Y124 S135 H136	Y124-E133 PolarHBondContact O-N 2.75Å; E133-S135 PolarHBondContact O-N 2.93Å; E133-H136 WeakPolarHBondContact O-CB 3.35Å; E133-H136 PolarHBondContact O-N 3.39Å
134	P	97.2	Very high	96.7	Very high	116 Å²	116	58.5 Å²	58.5	75%	0.753	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	140.7	176.2	-25.7	34.9	0	0	0	112.1	H136	P134-H136 PolarHBondContact O-N 3.46Å
135	S	94.5	Very high	96.7	Very high	120 Å²	120	55.5 Å²	55.5	84%	0.839	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	3.9	-179.2	-54.6	0	0	0	0	116.3	E133	E133-S135 PolarHBondContact O-N 2.93Å
136	H	96.7	Very high	96.7	Very high	57 Å²	57	55.1 Å²	55.1	26%	0.264	31%	0.307	S	S	.	.			trans	-101.3	160.4	173.6	-76.3	-77	0	0	0	113.1	E121 Y124 E133 P134	E121-H136 IonicContact OE1-ND1 3.7Å; E121-H136 WeakPolarHBondContact OE2-CB 3.26Å; E121-H136 IonicContact OE2-CG 3.84Å; E121-H136 IonicContact OE2-ND1 3.45Å; E121-H136 PolarHBondContact OE2-ND1 2.95Å; Y124-H136 AromaticContact CD1-CD2 3.67Å; Y124-H136 AromaticContact CD1-CE1 3.69Å; Y124-H136 AromaticContact CD1-NE2 3.47Å; Y124-H136 WeakPolarHBondContact CD1-NE2 3.18Å; Y124-H136 HydrophobicContact CD2-CB 4.46Å; Y124-H136 AromaticContact CD2-CE1 3.34Å; Y124-H136 WeakPolarHBondContact CD2-CE1 2.84Å; Y124-H136 AromaticContact CD2-CG 3.67Å; Y124-H136 AromaticContact CD2-ND1 3.14Å; Y124-H136 WeakPolarHBondContact CD2-ND1 3.29Å; Y124-H136 AromaticContact CD2-NE2 3.96Å; Y124-H136 AromaticContact CE1-CE1 3.54Å; Y124-H136 AromaticContact CE1-NE2 3.45Å; Y124-H136 WeakPolarHBondContact CE1-NE2 3.34Å; Y124-H136 AromaticContact CE2-CE1 3.17Å; Y124-H136 WeakPolarHBondContact CE2-CE1 3.34Å; Y124-H136 AromaticContact CE2-ND1 3.42Å; Y124-H136 WeakPolarHBondContact CE2-ND1 3.41Å; Y124-H136 AromaticContact CE2-NE2 3.95Å; Y124-H136 HydrophobicContact CG-CB 4.26Å; Y124-H136 AromaticContact CG-CD2 3.64Å; Y124-H136 AromaticContact CG-CE1 3.58Å; Y124-H136 AromaticContact CG-CG 3.5Å; Y124-H136 VanDerWaalsContact CG-CG 3.5Å; Y124-H136 AromaticContact CG-ND1 3.47Å; Y124-H136 AromaticContact CG-NE2 3.72Å; Y124-H136 AromaticContact CZ-CE1 3.26Å; Y124-H136 AromaticContact CZ-ND1 3.97Å; Y124-H136 AromaticContact CZ-NE2 3.68Å; E133-H136 WeakPolarHBondContact O-CB 3.35Å; E133-H136 PolarHBondContact O-N 3.39Å; P134-H136 PolarHBondContact O-N 3.46Å
137	H	94.6	Very high	96.8	Very high	128 Å²	128	53.8 Å²	53.8	59%	0.593	31%	0.306	S	S	*	.			trans	-124.1	58.6	-174.8	-59.1	101.8	0	0	0	111.2	E121 N139 T140	E121-H137 PolarHBondContact OE2-N 3.39Å; H137-N139 PolarHBondContact O-N 3.06Å; H137-T140 PolarHBondContact O-N 2.9Å; H137-T140 VanDerWaalsContact O-N 3.15Å; H137-T140 PolarHBondContact O-OG1 3.07Å; H137-T140 VanDerWaalsContact O-OG1 3.04Å
138	C	97.7	Very high	97	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.6	-177.1	-52.9	0	0	0	0	115.2	Y124 Y125 C132 T140 Y141 K142	Y124-C138 PolarHBondContact O-SG 2.95Å; Y124-C138 VanDerWaalsContact O-SG 3.34Å; Y125-C138 HydrophobicContact CD2-CB 3.83Å; Y125-C138 HydrophobicContact CG-CB 4.16Å; C132-C138 VanDerWaalsContact CA-SG 3.55Å; C132-C138 HydrophobicContact CB-CB 3.67Å; C132-C138 WeakPolarHBondContact CB-SG 3.46Å; C132-C138 WeakPolarHBondContact SG-CB 3.31Å; C132-C138 PolarHBondContact SG-N 3.3Å; C132-C138 CovalentContact SG-SG 2.04Å; C132-C138 PolarHBondContact SG-SG 3.31Å; C138-T140 PolarHBondContact O-N 3Å; C138-Y141 WeakPolarHBondContact O-CB 3.32Å; C138-Y141 PolarHBondContact O-N 3.2Å; C138-K142 WeakPolarHBondContact O-CG 3.42Å; C138-K142 PolarHBondContact O-N 3.15Å
139	N	96.9	Very high	97.3	Very high	98 Å²	98	52.3 Å²	52.3	52%	0.524	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-29.7	176.4	-72.9	-14.8	0	0	0	113.1	H137 K142 Q143 M178	H137-N139 PolarHBondContact O-N 3.06Å; N139-K142 PolarHBondContact O-N 3.26Å; N139-Q143 VanDerWaalsContact O-CB 3.31Å; N139-Q143 WeakPolarHBondContact O-CB 3.09Å; N139-Q143 PolarHBondContact O-N 3.47Å; N139-M178 HydrophobicContact CB-CE 3.54Å; N139-M178 VanDerWaalsContact OD1-CE 3.24Å; N139-M178 WeakPolarHBondContact OD1-CE 3.27Å
140	T	97.2	Very high	97.4	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-44.6	177.6	58.2	0	0	0	0	111.8	N104 W118 H137 C138 I144	N104-T140 PolarHBondContact ND2-O 3.06Å; N104-T140 WeakPolarHBondContact OD1-CA 3.1Å; W118-T140 HydrophobicContact CG-CG2 4.38Å; H137-T140 PolarHBondContact O-N 2.9Å; H137-T140 VanDerWaalsContact O-N 3.15Å; H137-T140 PolarHBondContact O-OG1 3.07Å; H137-T140 VanDerWaalsContact O-OG1 3.04Å; C138-T140 PolarHBondContact O-N 3Å; T140-I144 PolarHBondContact O-N 2.97Å
141	Y	98.3	Very high	97.6	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-55.8	168	158.1	-108.5	0	0	0	111.1	R49 W118 M119 Y125 H127 C138 Q143 I144 V145 P183 Y184	R49-Y141 PolarHBondContact NH1-OH 3.18Å; W118-Y141 WeakPolarHBondContact O-CA 3.48Å; W118-Y141 WeakPolarHBondContact O-CB 3.45Å; W118-Y141 PolarHBondContact O-N 3.27Å; M119-Y141 HydrophobicContact CE-CD2 3.62Å; M119-Y141 HydrophobicContact CE-CE2 3.74Å; M119-Y141 HydrophobicContact SD-CD2 3.99Å; Y125-Y141 HydrophobicContact CD1-CD1 4.11Å; Y125-Y141 AromaticContact CD1-CE1 3.58Å; Y125-Y141 HydrophobicContact CD1-CE1 3.58Å; Y125-Y141 HydrophobicContact CE1-CE1 4.21Å; Y125-Y141 HydrophobicContact CG-CD1 4.27Å; Y125-Y141 HydrophobicContact CG-CE1 4.18Å; H127-Y141 PolarHBondContact CE1-OH 3.36Å; H127-Y141 AromaticContact NE2-CE1 3.75Å; H127-Y141 AromaticContact NE2-CZ 3.72Å; H127-Y141 PolarHBondContact NE2-OH 3.16Å; C138-Y141 WeakPolarHBondContact O-CB 3.32Å; C138-Y141 PolarHBondContact O-N 3.2Å; Y141-Q143 PolarHBondContact O-N 3.32Å; Y141-Q143 VanDerWaalsContact O-N 3.17Å; Y141-I144 PolarHBondContact O-N 2.04Å; Y141-V145 HydrophobicContact CD1-CG2 4.44Å; Y141-V145 HydrophobicContact CD2-CG1 4.35Å; Y141-V145 HydrophobicContact CD2-CG2 4Å; Y141-V145 HydrophobicContact CE1-CG2 3.98Å; Y141-V145 HydrophobicContact CE2-CB 4.29Å; Y141-V145 HydrophobicContact CE2-CG1 3.82Å; Y141-V145 HydrophobicContact CE2-CG2 3.5Å; Y141-V145 VanDerWaalsContact CE2-CG2 3.5Å; Y141-V145 HydrophobicContact CG-CG2 4.45Å; Y141-V145 VanDerWaalsContact CZ-CG2 3.49Å; Y141-V145 WeakPolarHBondContact O-CG2 3.29Å; Y141-V145 PolarHBondContact O-N 2.96Å; Y141-P183 HydrophobicContact CE1-CG 4.39Å; Y141-Y184 PolarHBondContact OH-OH 2.96Å; Y141-Y184 VanDerWaalsContact OH-OH 3.14Å
142	K	98.3	Very high	97.7	Very high	11 Å²	11	46.8 Å²	46.8	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-53.4	-41.6	-177.6	-69.6	175.3	67.4	164.9	0	111.5	Y125 D130 C138 N139 I144 V145 Q146 M178 G181 P183	Y125-K142 HydrophobicContact CD2-CD 4.18Å; Y125-K142 HydrophobicContact CE1-CG 4.5Å; Y125-K142 HydrophobicContact CE2-CD 3.7Å; Y125-K142 HydrophobicContact CE2-CG 4.31Å; D130-K142 IonicContact OD1-NZ 3.76Å; D130-K142 PolarHBondContact OD1-NZ 3.45Å; D130-K142 IonicContact OD2-NZ 2.76Å; C138-K142 WeakPolarHBondContact O-CG 3.42Å; C138-K142 PolarHBondContact O-N 3.15Å; N139-K142 PolarHBondContact O-N 3.26Å; K142-I144 VanDerWaalsContact C-N 3.32Å; K142-I144 PolarHBondContact O-N 3.36Å; K142-V145 CarbonylContact O-C 3.48Å; K142-V145 PolarHBondContact O-N 3.48Å; K142-Q146 WeakPolarHBondContact O-CA 3.33Å; K142-Q146 WeakPolarHBondContact O-CB 3.25Å; K142-Q146 PolarHBondContact O-N 3.46Å; K142-M178 HydrophobicContact CB-CE 4.33Å; K142-M178 HydrophobicContact CB-CG 3.78Å; K142-M178 HydrophobicContact CB-SD 4.11Å; K142-M178 HydrophobicContact CD-SD 4.46Å; K142-G181 WeakPolarHBondContact CE-O 3.29Å; K142-G181 PolarHBondContact NZ-O 2.89Å; K142-P183 HydrophobicContact CB-CB 4.03Å; K142-P183 HydrophobicContact CB-CG 4.33Å; K142-P183 HydrophobicContact CG-CB 4.25Å; K142-P183 HydrophobicContact CG-CG 4.02Å
143	Q	98.4	Very high	97.7	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-36.3	178.7	-179.1	61.8	87.2	0	0	113.8	N139 Y141 T149 Y174 M178	N139-Q143 VanDerWaalsContact O-CB 3.31Å; N139-Q143 WeakPolarHBondContact O-CB 3.09Å; N139-Q143 PolarHBondContact O-N 3.47Å; Y141-Q143 PolarHBondContact O-N 3.32Å; Y141-Q143 VanDerWaalsContact O-N 3.17Å; Q143-T149 PolarHBondContact NE2-OG1 2.87Å; Q143-Y174 HydrophobicContact CG-CD1 4.15Å; Q143-Y174 HydrophobicContact CG-CD2 3.3Å; Q143-Y174 HydrophobicContact CG-CE1 4.43Å; Q143-Y174 HydrophobicContact CG-CE2 3.64Å; Q143-Y174 HydrophobicContact CG-CG 3.58Å; Q143-M178 HydrophobicContact CB-CB 4.05Å; Q143-M178 HydrophobicContact CG-CB 4.49Å
144	I	98.8	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.9	-41.3	179.3	-64.6	166.5	0	0	0	110.7	H45 R46 V115 W118 M119 T140 Y141 K142	H45-I144 HydrophobicContact CB-CG2 4.5Å; R46-I144 WeakPolarHBondContact CD-O 3.19Å; R46-I144 VanDerWaalsContact CG-O 3.3Å; R46-I144 WeakPolarHBondContact CG-O 3.47Å; R46-I144 PolarHBondContact NH1-O 2.82Å; V115-I144 HydrophobicContact CG1-CD1 4.26Å; W118-I144 HydrophobicContact CB-CD1 3.68Å; W118-I144 HydrophobicContact CE3-CD1 4Å; M119-I144 HydrophobicContact CG-CD1 3.89Å; M119-I144 HydrophobicContact SD-CB 3.85Å; M119-I144 HydrophobicContact SD-CD1 3.72Å; M119-I144 HydrophobicContact SD-CG1 4.41Å; M119-I144 HydrophobicContact SD-CG2 3.62Å; T140-I144 PolarHBondContact O-N 2.97Å; Y141-I144 PolarHBondContact O-N 2.04Å; K142-I144 VanDerWaalsContact C-N 3.32Å; K142-I144 PolarHBondContact O-N 3.36Å
145	V	98.4	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-95.7	3.4	-175.2	-62.7	0	0	0	0	114.1	R49 L64 M119 Y141 K142 A147 P183 Y184	R49-V145 HydrophobicContact CG-CG1 4.28Å; L64-V145 HydrophobicContact CD1-CB 4.07Å; L64-V145 VanDerWaalsContact CD1-O 3.23Å; L64-V145 WeakPolarHBondContact CD1-O 3.45Å; M119-V145 HydrophobicContact CE-CG1 4.01Å; M119-V145 HydrophobicContact SD-CG1 4.27Å; Y141-V145 HydrophobicContact CD1-CG2 4.44Å; Y141-V145 HydrophobicContact CD2-CG1 4.35Å; Y141-V145 HydrophobicContact CD2-CG2 4Å; Y141-V145 HydrophobicContact CE1-CG2 3.98Å; Y141-V145 HydrophobicContact CE2-CB 4.29Å; Y141-V145 HydrophobicContact CE2-CG1 3.82Å; Y141-V145 HydrophobicContact CE2-CG2 3.5Å; Y141-V145 VanDerWaalsContact CE2-CG2 3.5Å; Y141-V145 HydrophobicContact CG-CG2 4.45Å; Y141-V145 VanDerWaalsContact CZ-CG2 3.49Å; Y141-V145 WeakPolarHBondContact O-CG2 3.29Å; Y141-V145 PolarHBondContact O-N 2.96Å; K142-V145 CarbonylContact O-C 3.48Å; K142-V145 PolarHBondContact O-N 3.48Å; V145-A147 PolarHBondContact O-N 3.19Å; V145-P183 HydrophobicContact CG2-CB 3.87Å; V145-P183 HydrophobicContact CG2-CG 3.82Å; V145-Y184 HydrophobicContact CB-CD1 4.09Å; V145-Y184 HydrophobicContact CB-CE1 3.78Å; V145-Y184 HydrophobicContact CG2-CD1 4.12Å; V145-Y184 HydrophobicContact CG2-CE1 3.72Å; V145-Y184 WeakPolarHBondContact O-CD1 3.38Å
146	Q	98.3	Very high	98	Very high	9 Å²	9	30 Å²	30	4%	0.042	16%	0.155	C	C	.	.			trans	-57.5	128.1	178.8	-171.2	69.6	39.3	0	0	111.1	R46 K142 E148 T149 P183	R46-Q146 PolarHBondContact NH1-O 3.47Å; R46-Q146 PolarHBondContact NH2-O 2.97Å; K142-Q146 WeakPolarHBondContact O-CA 3.33Å; K142-Q146 WeakPolarHBondContact O-CB 3.25Å; K142-Q146 PolarHBondContact O-N 3.46Å; Q146-E148 VanDerWaalsContact C-N 3.31Å; Q146-E148 WeakPolarHBondContact CG-OE2 3.41Å; Q146-E148 PolarHBondContact NE2-OE2 2.95Å; Q146-E148 PolarHBondContact O-N 2.85Å; Q146-T149 WeakPolarHBondContact CB-OG1 3.43Å; Q146-T149 PolarHBondContact O-N 3.37Å; Q146-P183 CarbonylContact C-O 3.49Å; Q146-P183 VanDerWaalsContact CA-O 3.28Å; Q146-P183 WeakPolarHBondContact CA-O 3.32Å; Q146-P183 PolarHBondContact NE2-O 3.38Å
147	A	98	Very high	98	Very high	40 Å²	40	28.5 Å²	28.5	33%	0.331	15%	0.15	S	C	.	.	S	Bend	trans	-59	-41.7	-178	0	0	0	0	0	112.5	L64 V145 P183	L64-A147 HydrophobicContact CD2-CB 4.05Å; V145-A147 PolarHBondContact O-N 3.19Å; A147-P183 PolarHBondContact N-O 2.87Å
148	E	97.6	Very high	98	Very high	109 Å²	109	29.7 Å²	29.7	51%	0.509	15%	0.149	S	C	.	.	S	Bend	trans	-80.9	-22.7	-174.6	-62.8	71.8	-157.1	0	0	113.6	Q146 A150 P176	Q146-E148 VanDerWaalsContact C-N 3.31Å; Q146-E148 WeakPolarHBondContact CG-OE2 3.41Å; Q146-E148 PolarHBondContact NE2-OE2 2.95Å; Q146-E148 PolarHBondContact O-N 2.85Å; E148-A150 PolarHBondContact O-N 3.45Å; E148-P176 HydrophobicContact CB-CG 4.19Å; E148-P176 VanDerWaalsContact O-CD 3.25Å; E148-P176 WeakPolarHBondContact O-CD 3.41Å; E148-P176 WeakPolarHBondContact O-CG 3.47Å
149	T	98.5	Very high	97.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.149	C	C	.	.			trans	-64	127.3	176.9	-64.7	0	0	0	0	109.6	R46 L67 Q143 Q146 Y174 P176	R46-T149 PolarHBondContact NH2-O 3.13Å; L67-T149 HydrophobicContact CD2-CG2 3.93Å; L67-T149 WeakPolarHBondContact CD2-O 3.19Å; Q143-T149 PolarHBondContact NE2-OG1 2.87Å; Q146-T149 WeakPolarHBondContact CB-OG1 3.43Å; Q146-T149 PolarHBondContact O-N 3.37Å; T149-Y174 HydrophobicContact CG2-CD1 4.18Å; T149-Y174 HydrophobicContact CG2-CG 4.49Å; T149-P176 PolarHBondContact OG1-O 3.23Å
150	A	98.5	Very high	97.6	Very high	38 Å²	38	34.3 Å²	34.3	31%	0.314	17%	0.167	S	C	.	.			trans	-123.2	-22.1	-172.2	0	0	0	0	0	113.5	L67 K68 E148 S175	L67-A150 WeakPolarHBondContact CA-O 3.22Å; K68-A150 PolarHBondContact N-O 3.14Å; E148-A150 PolarHBondContact O-N 3.45Å; A150-S175 PolarHBondContact N-O 3.46Å
151	Y	98.8	Very high	97.3	Very high	67 Å²	67	40.9 Å²	40.9	26%	0.263	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.3	-175.9	-60.5	-90.8	0	0	0	111.4	K68 D70 W98 Y174 S175	K68-Y151 HydrophobicContact CB-CD1 3.89Å; K68-Y151 HydrophobicContact CB-CE1 3.97Å; K68-Y151 HydrophobicContact CD-CE1 4.14Å; K68-Y151 VanDerWaalsContact O-CA 3.29Å; K68-Y151 WeakPolarHBondContact O-CA 3.48Å; D70-Y151 HydrophobicContact CB-CD1 4.2Å; W98-Y151 AromaticContact CH2-CD1 3.92Å; W98-Y151 HydrophobicContact CH2-CD1 3.92Å; W98-Y151 AromaticContact CH2-CD2 3.21Å; W98-Y151 HydrophobicContact CH2-CD2 3.21Å; W98-Y151 AromaticContact CH2-CE1 3.94Å; W98-Y151 HydrophobicContact CH2-CE1 3.94Å; W98-Y151 AromaticContact CH2-CE2 3.29Å; W98-Y151 HydrophobicContact CH2-CE2 3.29Å; W98-Y151 AromaticContact CH2-CG 3.55Å; W98-Y151 HydrophobicContact CH2-CG 3.55Å; W98-Y151 AromaticContact CH2-CZ 3.64Å; W98-Y151 AromaticContact CZ2-CD1 3.79Å; W98-Y151 HydrophobicContact CZ2-CD1 3.79Å; W98-Y151 AromaticContact CZ2-CD2 3.76Å; W98-Y151 HydrophobicContact CZ2-CD2 3.76Å; W98-Y151 HydrophobicContact CZ2-CE1 4.14Å; W98-Y151 HydrophobicContact CZ2-CE2 4.15Å; W98-Y151 AromaticContact CZ2-CG 3.57Å; W98-Y151 HydrophobicContact CZ2-CG 3.57Å; W98-Y151 AromaticContact CZ3-CD2 3.8Å; W98-Y151 HydrophobicContact CZ3-CD2 3.8Å; W98-Y151 AromaticContact CZ3-CE2 3.91Å; W98-Y151 HydrophobicContact CZ3-CE2 3.91Å; W98-Y151 HydrophobicContact CZ3-CG 4.45Å; Y151-Y174 WeakPolarHBondContact O-CA 3.38Å; Y151-S175 PolarHBondContact N-O 3.5Å; Y151-S175 PolarHBondContact O-N 2.84Å
152	V	98.9	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.5	173.7	63.2	0	0	0	0	110	L39 L67 K68 W69 D70 C172 Y173 Y174	L39-V152 HydrophobicContact CD1-CG1 3.79Å; L67-V152 HydrophobicContact CB-CG1 3.94Å; L67-V152 HydrophobicContact CD1-CB 3.97Å; L67-V152 HydrophobicContact CD1-CG1 3.87Å; K68-V152 PolarHBondContact O-N 2.93Å; W69-V152 CarbonylContact C-O 3.58Å; W69-V152 VanDerWaalsContact CA-O 3.3Å; W69-V152 WeakPolarHBondContact CA-O 3.21Å; D70-V152 PolarHBondContact N-O 2.9Å; V152-C172 HydrophobicContact CG2-CB 4.24Å; V152-Y173 VanDerWaalsContact CA-O 3.31Å; V152-Y173 WeakPolarHBondContact CA-O 3.13Å; V152-Y174 HydrophobicContact CB-CD1 3.99Å; V152-Y174 HydrophobicContact CB-CE1 4.17Å; V152-Y174 HydrophobicContact CG2-CD1 3.7Å; V152-Y174 HydrophobicContact CG2-CE1 3.48Å; V152-Y174 VanDerWaalsContact CG2-CE1 3.48Å
153	G	98.7	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.6	165.1	0	0	0	0	0	109.1	C172 Y173	G153-C172 WeakPolarHBondContact O-CA 3.49Å; G153-Y173 PolarHBondContact N-O 2.95Å; G153-Y173 PolarHBondContact O-N 3.39Å
154	C	98.8	Very high	95.5	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.4	-175.3	-53.8	0	0	0	0	111.6	L30 M38 W69 A171 C172	L30-C154 WeakPolarHBondContact CD1-O 3.21Å; L30-C154 HydrophobicContact CD2-CB 4.14Å; M38-C154 HydrophobicContact CE-CB 4.27Å; M38-C154 HydrophobicContact CG-CB 4.5Å; W69-C154 HydrophobicContact CH2-CB 3.98Å; W69-C154 HydrophobicContact CZ3-CB 4.35Å; C154-A171 CarbonylContact C-O 3.49Å; C154-A171 WeakPolarHBondContact CA-O 2.99Å; C154-A171 WeakPolarHBondContact CB-O 3Å; C154-C172 HydrophobicContact CB-CB 4.11Å; C154-C172 WeakPolarHBondContact CB-SG 3.42Å; C154-C172 WeakPolarHBondContact SG-CB 3.44Å; C154-C172 CovalentContact SG-SG 2.05Å; C154-C172 PolarHBondContact SG-SG 2.98Å
155	G	98.2	Very high	94.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.2	176.9	0	0	0	0	0	110.3	L30 A171	L30-G155 VanDerWaalsContact CD1-CA 3.4Å; G155-A171 PolarHBondContact N-O 2.85Å; G155-A171 PolarHBondContact O-N 2.73Å; G155-A171 VanDerWaalsContact O-O 3.13Å
156	Y	97.7	Very high	94.3	Very high	33 Å²	33	66 Å²	66	13%	0.129	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155	170.3	80	-94.3	0	0	0	112.5	L30 Q78 S81 L111 R158 M168 L169	L30-Y156 HydrophobicContact CD1-CD1 3.55Å; L30-Y156 HydrophobicContact CD1-CE1 4.23Å; L30-Y156 HydrophobicContact CG-CD1 4.02Å; L30-Y156 HydrophobicContact CG-CE1 4.34Å; Q78-Y156 PolarHBondContact NE2-O 3.16Å; Q78-Y156 PolarHBondContact OE1-O 3.34Å; S81-Y156 WeakPolarHBondContact OG-CA 3.31Å; S81-Y156 PolarHBondContact OG-N 3.06Å; L111-Y156 HydrophobicContact CD2-CD1 3.71Å; L111-Y156 HydrophobicContact CD2-CE1 4.43Å; L111-Y156 HydrophobicContact CD2-CG 4.02Å; Y156-R158 HydrophobicContact CE2-CG 4.44Å; Y156-M168 HydrophobicContact CD1-SD 4.35Å; Y156-M168 HydrophobicContact CD2-CG 3.58Å; Y156-M168 HydrophobicContact CD2-SD 3.33Å; Y156-M168 WeakPolarHBondContact CD2-SD 3.28Å; Y156-M168 HydrophobicContact CE2-CG 4.45Å; Y156-M168 HydrophobicContact CE2-SD 3.8Å; Y156-M168 HydrophobicContact CG-CG 3.98Å; Y156-M168 HydrophobicContact CG-SD 3.64Å; Y156-L169 VanDerWaalsContact CA-O 3.25Å; Y156-L169 WeakPolarHBondContact CA-O 3.44Å
157	T	96.6	Very high	94.1	Very high	25 Å²	25	67 Å²	67	15%	0.153	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.9	170.4	-57.1	0	0	0	0	109.3	S81 E82 C159 M168 L169	S81-T157 VanDerWaalsContact O-CB 3.28Å; S81-T157 WeakPolarHBondContact O-CB 3.42Å; S81-T157 PolarHBondContact O-OG1 2.94Å; S81-T157 PolarHBondContact OG-N 3.07Å; S81-T157 PolarHBondContact OG-OG1 3.41Å; E82-T157 WeakPolarHBondContact CA-OG1 3.46Å; E82-T157 PolarHBondContact N-OG1 3.33Å; T157-C159 PolarHBondContact O-N 3.45Å; T157-M168 WeakPolarHBondContact O-CA 3.33Å; T157-L169 PolarHBondContact N-O 3.01Å; T157-L169 PolarHBondContact O-N 3.09Å
158	R	95.1	Very high	94	Very high	154 Å²	154	65.4 Å²	65.4	58%	0.581	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	116.9	166.6	-67.8	-175.4	-176.2	87.4	5.8	108.1	Y156 N167	Y156-R158 HydrophobicContact CE2-CG 4.44Å; R158-N167 WeakPolarHBondContact CA-O 3.39Å
159	C	95.2	Very high	94	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	28%	0.284	C	S	.	.			trans	-108.5	120.3	-172	-66.6	0	0	0	0	109.4	C84 T157 E161 Y162 N167	C84-C159 WeakPolarHBondContact CA-SG 3.47Å; C84-C159 HydrophobicContact CB-CB 3.68Å; C84-C159 WeakPolarHBondContact CB-SG 3.34Å; C84-C159 VanDerWaalsContact SG-CA 3.54Å; C84-C159 WeakPolarHBondContact SG-CB 3.3Å; C84-C159 CovalentContact SG-SG 2.04Å; C84-C159 PolarHBondContact SG-SG 3.17Å; T157-C159 PolarHBondContact O-N 3.45Å; C159-E161 PolarHBondContact O-N 3.39Å; C159-Y162 HydrophobicContact CB-CD2 3.61Å; C159-Y162 HydrophobicContact CB-CE2 3.98Å; C159-Y162 PolarHBondContact O-N 2.89Å; C159-N167 PolarHBondContact N-O 2.98Å
160	E	91.7	Very high	93.9	Very high	196 Å²	196	60.1 Å²	60.1	92%	0.916	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.3	-174.5	-62.1	-177.6	173.2	0	0	113.5	Y162	E160-Y162 PolarHBondContact O-N 3.2Å
161	E	90.1	Very high	93.9	Very high	162 Å²	162	58.3 Å²	58.3	76%	0.757	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.5	178.2	-59.7	-179.1	-168.6	0	0	113.3	C159	C159-E161 PolarHBondContact O-N 3.39Å
162	Y	90	Very high	93.9	Very high	55 Å²	55	55.1 Å²	55.1	22%	0.216	26%	0.256	C	S	.	.	S	Bend	trans	-106.5	140.7	177.3	-60.4	-59.9	0	0	0	111.3	C84 P86 I107 C159 E160 N167	C84-Y162 PolarHBondContact O-OH 3.47Å; P86-Y162 WeakPolarHBondContact CD-OH 3.3Å; P86-Y162 WeakPolarHBondContact CG-OH 3.35Å; I107-Y162 HydrophobicContact CD1-CD1 3.61Å; I107-Y162 HydrophobicContact CD1-CD2 3.72Å; I107-Y162 HydrophobicContact CD1-CE1 3.37Å; I107-Y162 HydrophobicContact CD1-CE2 3.52Å; I107-Y162 HydrophobicContact CD1-CG 3.82Å; I107-Y162 HydrophobicContact CG1-CD2 4.25Å; I107-Y162 HydrophobicContact CG1-CE2 4.22Å; I107-Y162 HydrophobicContact CG2-CD2 4.46Å; I107-Y162 HydrophobicContact CG2-CG 4.28Å; C159-Y162 HydrophobicContact CB-CD2 3.61Å; C159-Y162 HydrophobicContact CB-CE2 3.98Å; C159-Y162 PolarHBondContact O-N 2.89Å; E160-Y162 PolarHBondContact O-N 3.2Å; Y162-N167 WeakPolarHBondContact O-CB 3.44Å
163	E	86.7	Confident	93.9	Very high	173 Å²	173	55.6 Å²	55.6	81%	0.808	26%	0.258	S	S	*	.			trans	-72.8	132.7	-176.5	-65.7	-172.5	169.4	0	0	111.9	S166	E163-S166 CarbonylContact O-C 3.51Å; E163-S166 VanDerWaalsContact O-C 3.25Å; E163-S166 PolarHBondContact O-N 2.83Å
164	Y	82	Confident	93.9	Very high	197 Å²	197	55.6 Å²	55.6	77%	0.773	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	138.7	168.1	179.4	-88.6	0	0	0	110.2
165	P	82.5	Confident	93.9	Very high	70 Å²	70	55.7 Å²	55.7	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87	-12.3	11.4	34.1	-35.8	0	0	0	116	S109 N167	S109-P165 WeakPolarHBondContact CA-O 3.06Å; S109-P165 WeakPolarHBondContact CB-O 3.31Å; P165-N167 PolarHBondContact O-N 2.94Å
166	S	88.3	Confident	93.9	Very high	51 Å²	51	57.8 Å²	57.8	36%	0.357	27%	0.272	S	S	.	.	S	Bend	trans	-94.4	70.9	-175.5	-59.4	0	0	0	0	111	I107 E163	I107-S166 WeakPolarHBondContact CG2-O 3.36Å; E163-S166 CarbonylContact O-C 3.51Å; E163-S166 VanDerWaalsContact O-C 3.25Å; E163-S166 PolarHBondContact O-N 2.83Å
167	N	94.1	Very high	93.8	Very high	32 Å²	32	61.4 Å²	61.4	17%	0.171	29%	0.288	C	S	.	.			trans	-123.7	8.7	-178.1	75.9	-25.4	0	0	0	114.6	R158 C159 Y162 P165	R158-N167 WeakPolarHBondContact CA-O 3.39Å; C159-N167 PolarHBondContact N-O 2.98Å; Y162-N167 WeakPolarHBondContact O-CB 3.44Å; P165-N167 PolarHBondContact O-N 2.94Å
168	M	95.5	Very high	93.7	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.025	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.5	177.8	-172.9	167.8	59.1	0	0	110.1	I107 Q108 L111 Y156 T157 V170	I107-M168 VanDerWaalsContact CA-O 3.31Å; I107-M168 WeakPolarHBondContact CA-O 3.41Å; Q108-M168 PolarHBondContact N-O 3.43Å; Q108-M168 VanDerWaalsContact O-CB 3.29Å; Q108-M168 WeakPolarHBondContact O-CB 3.38Å; Q108-M168 PolarHBondContact O-N 2.94Å; Q108-M168 VanDerWaalsContact O-N 3.1Å; L111-M168 HydrophobicContact CB-CE 4.46Å; L111-M168 HydrophobicContact CD2-CE 3.83Å; L111-M168 HydrophobicContact CD2-SD 3.94Å; L111-M168 HydrophobicContact CG-CE 3.9Å; L111-M168 HydrophobicContact CG-SD 4.33Å; L111-M168 VanDerWaalsContact N-CE 3.32Å; Y156-M168 HydrophobicContact CD1-SD 4.35Å; Y156-M168 HydrophobicContact CD2-CG 3.58Å; Y156-M168 HydrophobicContact CD2-SD 3.33Å; Y156-M168 WeakPolarHBondContact CD2-SD 3.28Å; Y156-M168 HydrophobicContact CE2-CG 4.45Å; Y156-M168 HydrophobicContact CE2-SD 3.8Å; Y156-M168 HydrophobicContact CG-CG 3.98Å; Y156-M168 HydrophobicContact CG-SD 3.64Å; T157-M168 WeakPolarHBondContact O-CA 3.33Å; M168-V170 HydrophobicContact CE-CG2 3.78Å; M168-V170 HydrophobicContact CG-CG2 3.83Å; M168-V170 PolarHBondContact O-N 3.17Å; M168-V170 HydrophobicContact SD-CG2 4.28Å
169	L	97.2	Very high	93.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	105	168.1	179	56	0	0	0	108.4	W80 S81 P86 I107 Y156 T157	W80-L169 HydrophobicContact CH2-CD1 4.44Å; W80-L169 HydrophobicContact CH2-CD2 4.49Å; W80-L169 HydrophobicContact CZ3-CD1 4.02Å; W80-L169 HydrophobicContact CZ3-CD2 4Å; W80-L169 HydrophobicContact CZ3-CG 4.1Å; S81-L169 WeakPolarHBondContact CB-O 3.49Å; P86-L169 HydrophobicContact CB-CD1 3.9Å; I107-L169 HydrophobicContact CG1-CD1 4.06Å; Y156-L169 VanDerWaalsContact CA-O 3.25Å; Y156-L169 WeakPolarHBondContact CA-O 3.44Å; T157-L169 PolarHBondContact N-O 3.01Å; T157-L169 PolarHBondContact O-N 3.09Å
170	V	98	Very high	93.1	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.2	176.2	-175.4	0	0	0	0	108.7	M38 S105 A106 L111 A114 W118 M168	M38-V170 HydrophobicContact CE-CG1 4.15Å; S105-V170 CarbonylContact C-O 3.5Å; S105-V170 WeakPolarHBondContact CA-O 3.3Å; A106-V170 PolarHBondContact N-O 3.49Å; A106-V170 PolarHBondContact O-N 3.14Å; L111-V170 HydrophobicContact CD2-CG1 4.26Å; L111-V170 HydrophobicContact CD2-CG2 4.03Å; A114-V170 HydrophobicContact CB-CB 3.81Å; A114-V170 HydrophobicContact CB-CG1 3.81Å; A114-V170 HydrophobicContact CB-CG2 4.11Å; W118-V170 HydrophobicContact CH2-CG1 4.39Å; M168-V170 HydrophobicContact CE-CG2 3.78Å; M168-V170 HydrophobicContact CG-CG2 3.83Å; M168-V170 PolarHBondContact O-N 3.17Å; M168-V170 HydrophobicContact SD-CG2 4.28Å
171	A	98.2	Very high	93.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.5	173.8	0	0	0	0	0	110.8	A77 W80 N104 C154 G155	A77-A171 HydrophobicContact CB-CB 4.37Å; W80-A171 HydrophobicContact CE3-CB 3.52Å; W80-A171 HydrophobicContact CZ3-CB 3.81Å; N104-A171 CarbonylContact O-C 3.56Å; N104-A171 VanDerWaalsContact O-CA 3.32Å; N104-A171 WeakPolarHBondContact O-CA 3.3Å; C154-A171 CarbonylContact C-O 3.49Å; C154-A171 WeakPolarHBondContact CA-O 2.99Å; C154-A171 WeakPolarHBondContact CB-O 3Å; G155-A171 PolarHBondContact N-O 2.85Å; G155-A171 PolarHBondContact O-N 2.73Å; G155-A171 VanDerWaalsContact O-O 3.13Å
172	C	98.7	Very high	93.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.6	171	-68.9	0	0	0	0	109.3	M38 R103 N104 W118 V152 G153 C154 Y174	M38-C172 VanDerWaalsContact CE-SG 3.54Å; R103-C172 WeakPolarHBondContact CA-O 3.41Å; N104-C172 PolarHBondContact N-O 3.26Å; N104-C172 PolarHBondContact O-N 3.27Å; W118-C172 HydrophobicContact CH2-CB 4.09Å; W118-C172 HydrophobicContact CZ3-CB 4.07Å; V152-C172 HydrophobicContact CG2-CB 4.24Å; G153-C172 WeakPolarHBondContact O-CA 3.49Å; C154-C172 HydrophobicContact CB-CB 4.11Å; C154-C172 WeakPolarHBondContact CB-SG 3.42Å; C154-C172 WeakPolarHBondContact SG-CB 3.44Å; C154-C172 CovalentContact SG-SG 2.05Å; C154-C172 PolarHBondContact SG-SG 2.98Å; C172-Y174 HydrophobicContact CB-CE1 4.38Å; C172-Y174 HydrophobicContact CB-CE2 3.68Å; C172-Y174 VanDerWaalsContact CB-OH 3.26Å; C172-Y174 WeakPolarHBondContact CB-OH 3.47Å; C172-Y174 WeakPolarHBondContact O-CD2 3.28Å; C172-Y174 WeakPolarHBondContact O-CE2 3.31Å
173	Y	98.7	Very high	93.9	Very high	11 Å²	11	49.7 Å²	49.7	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.9	177.3	-82.2	34	0	0	0	108.9	A76 A77 W80 I92 V95 V101 G102 R103 V152 G153	A76-Y173 HydrophobicContact CB-CD2 3.89Å; A76-Y173 HydrophobicContact CB-CE2 3.9Å; A77-Y173 HydrophobicContact CB-CD1 3.67Å; A77-Y173 HydrophobicContact CB-CE1 4.2Å; A77-Y173 HydrophobicContact CB-CG 4Å; W80-Y173 HydrophobicContact CB-CE1 4.24Å; W80-Y173 WeakPolarHBondContact CB-OH 3.28Å; W80-Y173 HydrophobicContact CG-CE1 4.38Å; W80-Y173 VanDerWaalsContact CG-OH 3.3Å; I92-Y173 HydrophobicContact CG1-CE2 4.39Å; I92-Y173 HydrophobicContact CG2-CD2 4.13Å; I92-Y173 HydrophobicContact CG2-CE2 3.56Å; V95-Y173 HydrophobicContact CG2-CD2 4.13Å; V95-Y173 HydrophobicContact CG2-CE2 4.26Å; V101-Y173 HydrophobicContact CG1-CD2 3.61Å; V101-Y173 HydrophobicContact CG1-CE2 4.39Å; V101-Y173 HydrophobicContact CG1-CG 4.03Å; G102-Y173 CarbonylContact O-C 3.55Å; G102-Y173 VanDerWaalsContact O-CA 3.26Å; G102-Y173 WeakPolarHBondContact O-CA 3.32Å; R103-Y173 HydrophobicContact CB-CD1 4.06Å; R103-Y173 HydrophobicContact CB-CE1 3.86Å; R103-Y173 VanDerWaalsContact CD-CE1 3.41Å; R103-Y173 HydrophobicContact CG-CD1 3.92Å; R103-Y173 HydrophobicContact CG-CE1 3.5Å; V152-Y173 VanDerWaalsContact CA-O 3.31Å; V152-Y173 WeakPolarHBondContact CA-O 3.13Å; G153-Y173 PolarHBondContact N-O 2.95Å; G153-Y173 PolarHBondContact O-N 3.39Å
174	Y	98.7	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.1	-171	-55.7	-92.2	0	0	0	110.9	H42 V101 G102 N104 Q143 T149 Y151 V152 C172	H42-Y174 AromaticContact CD2-CE1 3.73Å; H42-Y174 AromaticContact NE2-CE1 3.53Å; H42-Y174 AromaticContact NE2-CZ 3.58Å; H42-Y174 PolarHBondContact NE2-OH 3.13Å; V101-Y174 VanDerWaalsContact CA-O 3.29Å; V101-Y174 WeakPolarHBondContact CA-O 3.26Å; G102-Y174 PolarHBondContact N-O 3.47Å; G102-Y174 PolarHBondContact O-N 3.46Å; N104-Y174 HydrophobicContact CB-CE2 3.79Å; N104-Y174 PolarHBondContact ND2-OH 3Å; Q143-Y174 HydrophobicContact CG-CD1 4.15Å; Q143-Y174 HydrophobicContact CG-CD2 3.3Å; Q143-Y174 HydrophobicContact CG-CE1 4.43Å; Q143-Y174 HydrophobicContact CG-CE2 3.64Å; Q143-Y174 HydrophobicContact CG-CG 3.58Å; T149-Y174 HydrophobicContact CG2-CD1 4.18Å; T149-Y174 HydrophobicContact CG2-CG 4.49Å; Y151-Y174 WeakPolarHBondContact O-CA 3.38Å; V152-Y174 HydrophobicContact CB-CD1 3.99Å; V152-Y174 HydrophobicContact CB-CE1 4.17Å; V152-Y174 HydrophobicContact CG2-CD1 3.7Å; V152-Y174 HydrophobicContact CG2-CE1 3.48Å; V152-Y174 VanDerWaalsContact CG2-CE1 3.48Å; C172-Y174 HydrophobicContact CB-CE1 4.38Å; C172-Y174 HydrophobicContact CB-CE2 3.68Å; C172-Y174 VanDerWaalsContact CB-OH 3.26Å; C172-Y174 WeakPolarHBondContact CB-OH 3.47Å; C172-Y174 WeakPolarHBondContact O-CD2 3.28Å; C172-Y174 WeakPolarHBondContact O-CE2 3.31Å
175	S	98.6	Very high	95.1	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.5	174.4	-175.5	0	0	0	0	112.3	A150 Y151	A150-S175 PolarHBondContact N-O 3.46Å; Y151-S175 PolarHBondContact N-O 3.5Å; Y151-S175 PolarHBondContact O-N 2.84Å
176	P	97.9	Very high	95.7	Very high	44 Å²	44	35.9 Å²	35.9	29%	0.286	21%	0.212	S	C	.	.	S	Bend	cis	-62.8	158.7	-14.8	28.2	-37.3	0	0	0	112.1	S100 E148 T149	S100-P176 CarbonylContact O-C 3.58Å; S100-P176 VanDerWaalsContact O-CA 3.32Å; S100-P176 WeakPolarHBondContact O-CA 3.49Å; E148-P176 HydrophobicContact CB-CG 4.19Å; E148-P176 VanDerWaalsContact O-CD 3.25Å; E148-P176 WeakPolarHBondContact O-CD 3.41Å; E148-P176 WeakPolarHBondContact O-CG 3.47Å; T149-P176 PolarHBondContact OG1-O 3.23Å
177	K	97	Very high	96.1	Very high	108 Å²	108	33.5 Å²	33.5	47%	0.47	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-60.9	153.6	170	85.1	-171.2	-178.7	175.6	0	111.7	S100 V101 M179	S100-K177 PolarHBondContact O-N 2.87Å; S100-K177 WeakPolarHBondContact OG-CG 3.21Å; V101-K177 VanDerWaalsContact C-CB 3.47Å; K177-M179 PolarHBondContact O-N 2.99Å
178	M	94.1	Very high	96.2	Very high	34 Å²	34	35 Å²	35	17%	0.167	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-57.3	132.1	172.1	-174.5	-85	-67	0	0	111.4	N139 K142 Q143	N139-M178 HydrophobicContact CB-CE 3.54Å; N139-M178 VanDerWaalsContact OD1-CE 3.24Å; N139-M178 WeakPolarHBondContact OD1-CE 3.27Å; K142-M178 HydrophobicContact CB-CE 4.33Å; K142-M178 HydrophobicContact CB-CG 3.78Å; K142-M178 HydrophobicContact CB-SD 4.11Å; K142-M178 HydrophobicContact CD-SD 4.46Å; Q143-M178 HydrophobicContact CB-CB 4.05Å; Q143-M178 HydrophobicContact CG-CB 4.49Å
179	M	88.7	Confident	96.1	Very high	119 Å²	119	41.9 Å²	41.9	59%	0.586	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-97.7	159	178.8	-66.6	-178.5	62.2	0	0	111.1	K177	K177-M179 PolarHBondContact O-N 2.99Å
180	S	89.5	Confident	96	Very high	119 Å²	119	43.2 Å²	43.2	83%	0.832	26%	0.256	S	S	*	.	S	Bend	trans	-56.8	150.3	170.7	57.1	0	0	0	0	111.6
181	G	93.5	Very high	95.9	Very high	27 Å²	27	45.8 Å²	45.8	28%	0.278	27%	0.266	S	S	.	.	S	Bend	trans	98.3	177.4	-173.5	0	0	0	0	0	112.4	D130 K142	D130-G181 VanDerWaalsContact OD2-C 3.3Å; D130-G181 WeakPolarHBondContact OD2-CA 3.36Å; D130-G181 PolarHBondContact OD2-N 3.29Å; K142-G181 WeakPolarHBondContact CE-O 3.29Å; K142-G181 PolarHBondContact NZ-O 2.89Å
182	S	96.1	Very high	95.7	Very high	48 Å²	48	46.8 Å²	46.8	34%	0.336	27%	0.273	S	S	.	.			trans	-61.6	143	178.8	-50.9	0	0	0	0	112.1	Y125 H127 Y184	Y125-S182 VanDerWaalsContact OH-CA 3.32Å; Y125-S182 WeakPolarHBondContact OH-CA 3.45Å; H127-S182 PolarHBondContact O-OG 3.45Å; S182-Y184 PolarHBondContact O-N 3.45Å
183	P	97.6	Very high	95.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-69.5	-22	-176.5	29.4	-35.3	0	0	0	113.2	Y125 Y141 K142 V145 Q146 A147	Y125-P183 HydrophobicContact CE1-CG 4.32Å; Y125-P183 WeakPolarHBondContact OH-CD 3.33Å; Y141-P183 HydrophobicContact CE1-CG 4.39Å; K142-P183 HydrophobicContact CB-CB 4.03Å; K142-P183 HydrophobicContact CB-CG 4.33Å; K142-P183 HydrophobicContact CG-CB 4.25Å; K142-P183 HydrophobicContact CG-CG 4.02Å; V145-P183 HydrophobicContact CG2-CB 3.87Å; V145-P183 HydrophobicContact CG2-CG 3.82Å; Q146-P183 CarbonylContact C-O 3.49Å; Q146-P183 VanDerWaalsContact CA-O 3.28Å; Q146-P183 WeakPolarHBondContact CA-O 3.32Å; Q146-P183 PolarHBondContact NE2-O 3.38Å; A147-P183 PolarHBondContact N-O 2.87Å
184	Y	97.5	Very high	94.3	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	33%	0.329	C	S	.	.	S	Bend	trans	-156.8	164	171	53.1	-97.2	0	0	0	108.4	R49 V58 A60 L64 H127 Y141 V145 S182 D186	R49-Y184 WeakPolarHBondContact CD-OH 3.38Å; R49-Y184 HydrophobicContact CG-CE1 3.94Å; V58-Y184 HydrophobicContact CG1-CE2 4.32Å; V58-Y184 PolarHBondContact O-OH 2.81Å; A60-Y184 HydrophobicContact CB-CD2 3.46Å; A60-Y184 VanDerWaalsContact CB-CD2 3.46Å; A60-Y184 HydrophobicContact CB-CE2 3.85Å; A60-Y184 HydrophobicContact CB-CG 3.9Å; L64-Y184 HydrophobicContact CD1-CD1 4.1Å; L64-Y184 HydrophobicContact CD1-CE1 4.42Å; L64-Y184 HydrophobicContact CD2-CD1 4.3Å; L64-Y184 HydrophobicContact CD2-CG 4.26Å; H127-Y184 AromaticContact CE1-CE1 3.64Å; H127-Y184 AromaticContact CE1-CE2 3.64Å; H127-Y184 AromaticContact CE1-CZ 3.26Å; H127-Y184 PolarHBondContact CE1-OH 2.94Å; H127-Y184 AromaticContact ND1-CE2 3.94Å; H127-Y184 AromaticContact NE2-CZ 3.93Å; Y141-Y184 PolarHBondContact OH-OH 2.96Å; Y141-Y184 VanDerWaalsContact OH-OH 3.14Å; V145-Y184 HydrophobicContact CB-CD1 4.09Å; V145-Y184 HydrophobicContact CB-CE1 3.78Å; V145-Y184 HydrophobicContact CG2-CD1 4.12Å; V145-Y184 HydrophobicContact CG2-CE1 3.72Å; V145-Y184 WeakPolarHBondContact O-CD1 3.38Å; S182-Y184 PolarHBondContact O-N 3.45Å; Y184-D186 PolarHBondContact O-N 3.21Å
185	T	96.3	Very high	92.3	Very high	102 Å²	102	62.9 Å²	62.9	63%	0.626	37%	0.373	S	S	*	.			trans	-71.5	125.8	173.7	-55.4	0	0	0	0	110.2	E61 G187	E61-T185 HydrophobicContact CB-CG2 3.94Å; E61-T185 HydrophobicContact CG-CG2 4.45Å; E61-T185 PolarHBondContact N-O 3.33Å; T185-G187 PolarHBondContact O-N 2.94Å
186	D	96.1	Very high	92	Very high	38 Å²	38	65.8 Å²	65.8	20%	0.203	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-61.7	121.7	174.7	-174.9	-13.4	0	0	0	110.7	V58 Y184 T188	V58-D186 HydrophobicContact CG1-CB 4.08Å; V58-D186 WeakPolarHBondContact CG1-OD1 3.28Å; V58-D186 WeakPolarHBondContact CG1-OD2 3.23Å; Y184-D186 PolarHBondContact O-N 3.21Å; D186-T188 WeakPolarHBondContact OD1-CB 3.47Å; D186-T188 PolarHBondContact OD1-N 2.97Å; D186-T188 PolarHBondContact OD1-OG1 3.44Å
187	G	96.7	Very high	91.7	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	40%	0.396	C	S	.	.			trans	-92.1	4.7	-179.1	0	0	0	0	0	114.9	P59 E61 T185 N189 G190 R191 C192	P59-G187 PolarHBondContact O-N 2.94Å; E61-G187 VanDerWaalsContact OE2-CA 3.28Å; E61-G187 WeakPolarHBondContact OE2-CA 3.37Å; T185-G187 PolarHBondContact O-N 2.94Å; G187-N189 VanDerWaalsContact C-N 3.3Å; G187-N189 PolarHBondContact O-N 3.19Å; G187-G190 CarbonylContact O-C 3.58Å; G187-G190 PolarHBondContact O-N 3.08Å; G187-G190 VanDerWaalsContact O-N 3.15Å; G187-R191 PolarHBondContact O-N 3.39Å; G187-C192 WeakPolarHBondContact O-CB 3.44Å; G187-C192 PolarHBondContact O-N 3.04Å
188	T	95.9	Very high	91.4	Very high	64 Å²	64	64.7 Å²	64.7	39%	0.393	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-44.2	-176	-60.1	0	0	0	0	111.3	P59 D186 G193	P59-T188 WeakPolarHBondContact CD-OG1 3.36Å; P59-T188 WeakPolarHBondContact CG-OG1 3.31Å; D186-T188 WeakPolarHBondContact OD1-CB 3.47Å; D186-T188 PolarHBondContact OD1-N 2.97Å; D186-T188 PolarHBondContact OD1-OG1 3.44Å; T188-G193 WeakPolarHBondContact O-CA 3.46Å; T188-G193 PolarHBondContact O-N 2.92Å; T188-G193 VanDerWaalsContact O-N 3.12Å
189	N	94.3	Very high	91.2	Very high	149 Å²	149	66.5 Å²	66.5	80%	0.797	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.1	179	-65.1	-50.9	0	0	0	113.6	G187	G187-N189 VanDerWaalsContact C-N 3.3Å; G187-N189 PolarHBondContact O-N 3.19Å
190	G	94.7	Very high	91.4	Very high	28 Å²	28	63.2 Å²	63.2	29%	0.289	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-106.4	176.9	0	0	0	0	0	110.3	E61 G187 C192 G193 S194	E61-G190 VanDerWaalsContact OE2-CA 3.23Å; E61-G190 WeakPolarHBondContact OE2-CA 3.34Å; G187-G190 CarbonylContact O-C 3.58Å; G187-G190 PolarHBondContact O-N 3.08Å; G187-G190 VanDerWaalsContact O-N 3.15Å; G190-C192 VanDerWaalsContact C-N 3.25Å; G190-C192 PolarHBondContact O-N 3.36Å; G190-C192 VanDerWaalsContact O-N 3.14Å; G190-G193 PolarHBondContact O-N 3Å; G190-S194 PolarHBondContact O-N 3.28Å
191	R	95	Very high	91.5	Very high	55 Å²	55	59.5 Å²	59.5	21%	0.208	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-43.8	-178.3	-176	-179.3	61.1	75.6	1.7	113.8	R49 K50 C52 A60 E61 G187 S194	R49-R191 PolarHBondContact O-NH2 3.45Å; K50-R191 VanDerWaalsContact C-NH2 3.35Å; K50-R191 VanDerWaalsContact O-CZ 3.27Å; K50-R191 PolarHBondContact O-NH1 3.15Å; K50-R191 PolarHBondContact O-NH2 3.49Å; C52-R191 PolarHBondContact SG-NH1 3.17Å; A60-R191 PolarHBondContact O-NE 3.35Å; A60-R191 PolarHBondContact O-NH2 3.3Å; E61-R191 WeakPolarHBondContact O-CD 3.07Å; E61-R191 PolarHBondContact OE2-N 3.16Å; G187-R191 PolarHBondContact O-N 3.39Å; R191-S194 PolarHBondContact O-OG 3.29Å
192	C	95.3	Very high	91.4	Very high	20 Å²	20	61.8 Å²	61.8	14%	0.135	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.9	-179.3	-63	0	0	0	0	113.7	C52 P59 G187 G190 S194	C52-C192 VanDerWaalsContact CA-SG 3.59Å; C52-C192 HydrophobicContact CB-CB 3.64Å; C52-C192 WeakPolarHBondContact CB-SG 3.49Å; C52-C192 VanDerWaalsContact SG-CA 3.6Å; C52-C192 WeakPolarHBondContact SG-CB 3.46Å; C52-C192 CovalentContact SG-SG 2.03Å; C52-C192 PolarHBondContact SG-SG 3.36Å; P59-C192 WeakPolarHBondContact CB-SG 3.39Å; P59-C192 HydrophobicContact CG-CB 4.34Å; P59-C192 VanDerWaalsContact CG-SG 3.6Å; G187-C192 WeakPolarHBondContact O-CB 3.44Å; G187-C192 PolarHBondContact O-N 3.04Å; G190-C192 VanDerWaalsContact C-N 3.25Å; G190-C192 PolarHBondContact O-N 3.36Å; G190-C192 VanDerWaalsContact O-N 3.14Å; C192-S194 VanDerWaalsContact C-N 3.33Å
193	G	89.9	Confident	91	Very high	50 Å²	50	62.8 Å²	62.8	52%	0.515	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.1	-179.3	0	0	0	0	0	113.8	T188 G190	T188-G193 WeakPolarHBondContact O-CA 3.46Å; T188-G193 PolarHBondContact O-N 2.92Å; T188-G193 VanDerWaalsContact O-N 3.12Å; G190-G193 PolarHBondContact O-N 3Å
194	S	76.3	Confident	90.5	Very high	103 Å²	103	68.1 Å²	68.1	72%	0.72	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-3.9	176.8	59.4	0	0	0	0	115	G190 R191 C192	G190-S194 PolarHBondContact O-N 3.28Å; R191-S194 PolarHBondContact O-OG 3.29Å; C192-S194 VanDerWaalsContact C-N 3.33Å
195	E	57.8	Low	89.8	Confident	197 Å²	197	73.3 Å²	73.3	92%	0.921	44%	0.437	S	S	*	.			trans	-83.9	0	176.9	-62.4	-169.8	146.4	0	0	111.9

Retrieved 195 of 195 residues in 64 ms (Link to these results)

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