A0A087YK16_POEFO Loading...

5'-nucleotidase

AlphaFold DB , UniProt , Accession A0A087YK16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 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	41.4	Very low	41.3	Very low	244 Å²	244	132.5 Å²	132.5	100%	1.202	74%	0.739	S	S	*	*				0	110.2	0	-71.3	170.7	88.8	0	0	107
2	D	38.1	Very low	41.3	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	72%	0.72	S	S	*	*			trans	-84	123.7	-160.7	-157.5	-19	0	0	0	111.6	T4	D2-T4 VanDerWaalsContact C-N 3.31Å; D2-T4 VanDerWaalsContact CG-OG1 3.31Å; D2-T4 PolarHBondContact O-N 3.42Å; D2-T4 PolarHBondContact OD1-N 3.4Å; D2-T4 PolarHBondContact OD1-OG1 2.84Å
3	R	43.8	Very low	41.4	Very low	240 Å²	240	121.2 Å²	121.2	91%	0.906	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	9.1	-175	-100.5	-176.9	174.9	177.7	-1.2	113.5
4	T	45.1	Very low	41.7	Very low	107 Å²	107	117.9 Å²	117.9	66%	0.656	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-6.1	-174.3	46.4	0	0	0	0	115.3	D2	D2-T4 VanDerWaalsContact C-N 3.31Å; D2-T4 VanDerWaalsContact CG-OG1 3.31Å; D2-T4 PolarHBondContact O-N 3.42Å; D2-T4 PolarHBondContact OD1-N 3.4Å; D2-T4 PolarHBondContact OD1-OG1 2.84Å
5	A	43.3	Very low	42	Very low	77 Å²	77	113.9 Å²	113.9	64%	0.636	67%	0.674	S	S	*	*	S	Bend	trans	-85.2	-13.8	-176.9	0	0	0	0	0	115.5
6	V	43.6	Very low	42.4	Very low	126 Å²	126	111.5 Å²	111.5	76%	0.764	66%	0.664	S	S	*	*	S	Bend	trans	-91.4	-14.8	-170.1	-175.5	0	0	0	0	113.6
7	V	41.3	Very low	42.7	Very low	120 Å²	120	109.5 Å²	109.5	73%	0.727	65%	0.653	S	S	*	*	S	Bend	trans	-91.4	-17.8	-171.2	-175.2	0	0	0	0	113.6
8	K	39.5	Very low	43	Very low	183 Å²	183	108.6 Å²	108.6	80%	0.796	65%	0.652	S	S	*	*	H	α-helix	trans	-89.6	-12.8	-176.3	-81.6	-175.3	175.2	178.8	0	115.8
9	V	40.7	Very low	43.4	Very low	111 Å²	111	108.7 Å²	108.7	67%	0.673	65%	0.652	S	S	*	*	H	α-helix	trans	-91.9	-25.9	-177	-170	0	0	0	0	112.3
10	G	35.4	Very low	44	Very low	45 Å²	45	108 Å²	108	46%	0.464	65%	0.648	S	S	.	*	H	α-helix	trans	-76.8	-30.7	-179.1	0	0	0	0	0	115.3	S14	G10-S14 WeakPolarHBondContact O-CB 3.17Å; G10-S14 PolarHBondContact O-N 2.77Å; G10-S14 PolarHBondContact O-OG 2.74Å
11	A	41.4	Very low	44.3	Very low	70 Å²	70	109.9 Å²	109.9	58%	0.579	65%	0.648	S	S	*	*	H	α-helix	trans	-79	-37.2	-177.3	0	0	0	0	0	112.9	A15	A11-A15 PolarHBondContact O-N 3.43Å
12	A	41.6	Very low	44.9	Very low	63 Å²	63	100.2 Å²	100.2	52%	0.521	61%	0.611	S	S	.	*	H	α-helix	trans	-72.1	-35.9	179.7	0	0	0	0	0	112.5	S16	A12-S16 WeakPolarHBondContact O-CB 3.37Å; A12-S16 PolarHBondContact O-N 3.34Å; A12-S16 PolarHBondContact O-OG 3.12Å
13	A	43.1	Very low	45.8	Very low	54 Å²	54	95.7 Å²	95.7	45%	0.446	60%	0.596	S	S	.	*	H	α-helix	trans	-69.5	-40.3	175.2	0	0	0	0	0	112	V17	A13-V17 WeakPolarHBondContact O-CB 3.42Å; A13-V17 WeakPolarHBondContact O-CG2 3.47Å; A13-V17 PolarHBondContact O-N 3.31Å
14	S	45.9	Very low	46.9	Very low	75 Å²	75	87.7 Å²	87.7	52%	0.524	57%	0.574	S	S	.	*	H	α-helix	trans	-70.8	-37.3	-177.9	-57.7	0	0	0	0	113.2	G10 C18	G10-S14 WeakPolarHBondContact O-CB 3.17Å; G10-S14 PolarHBondContact O-N 2.77Å; G10-S14 PolarHBondContact O-OG 2.74Å; S14-C18 WeakPolarHBondContact O-CB 3.43Å; S14-C18 PolarHBondContact O-N 3.14Å; S14-C18 VanDerWaalsContact O-N 3.08Å; S14-C18 PolarHBondContact O-SG 3.12Å; S14-C18 VanDerWaalsContact O-SG 3.34Å
15	A	45.8	Very low	47.7	Very low	59 Å²	59	85.2 Å²	85.2	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-69.8	-41	176	0	0	0	0	0	111.9	A11 C18 V19	A11-A15 PolarHBondContact O-N 3.43Å; A15-C18 PolarHBondContact O-N 3.47Å; A15-V19 VanDerWaalsContact O-CG2 3.24Å; A15-V19 WeakPolarHBondContact O-CG2 3.2Å; A15-V19 PolarHBondContact O-N 3.49Å
16	S	48.2	Very low	48.6	Very low	75 Å²	75	86.4 Å²	86.4	52%	0.524	56%	0.56	S	S	.	*	H	α-helix	trans	-66	-40.5	178.8	-54.3	0	0	0	0	111.8	A12 V20	A12-S16 WeakPolarHBondContact O-CB 3.37Å; A12-S16 PolarHBondContact O-N 3.34Å; A12-S16 PolarHBondContact O-OG 3.12Å; S16-V20 VanDerWaalsContact O-CG2 3.23Å; S16-V20 WeakPolarHBondContact O-CG2 3.5Å; S16-V20 PolarHBondContact O-N 3.17Å; S16-V20 VanDerWaalsContact O-N 3.08Å
17	V	48	Very low	49.6	Very low	78 Å²	78	82.8 Å²	82.8	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-42.7	177.2	173.5	0	0	0	0	111.3	A13 V19 V20 F21	A13-V17 WeakPolarHBondContact O-CB 3.42Å; A13-V17 WeakPolarHBondContact O-CG2 3.47Å; A13-V17 PolarHBondContact O-N 3.31Å; V17-V19 PolarHBondContact O-N 3.04Å; V17-V20 PolarHBondContact O-N 2.8Å; V17-F21 HydrophobicContact CG1-CD2 3.63Å; V17-F21 HydrophobicContact CG1-CE2 3.75Å; V17-F21 WeakPolarHBondContact O-CD2 3.34Å; V17-F21 PolarHBondContact O-N 3.3Å
18	C	47.4	Very low	50.8	Low	93 Å²	93	83.4 Å²	83.4	63%	0.628	54%	0.538	S	S	*	.	H	α-helix	trans	-63.8	-37.4	176.4	-75.1	0	0	0	0	113.1	S14 A15 G22	S14-C18 WeakPolarHBondContact O-CB 3.43Å; S14-C18 PolarHBondContact O-N 3.14Å; S14-C18 VanDerWaalsContact O-N 3.08Å; S14-C18 PolarHBondContact O-SG 3.12Å; S14-C18 VanDerWaalsContact O-SG 3.34Å; A15-C18 PolarHBondContact O-N 3.47Å; C18-G22 PolarHBondContact O-N 3.36Å
19	V	51.3	Low	52	Low	110 Å²	110	81.3 Å²	81.3	67%	0.667	53%	0.526	S	S	*	.	H	α-helix	trans	-69.3	-39	177.1	172.4	0	0	0	0	111.3	A15 V17 G23	A15-V19 VanDerWaalsContact O-CG2 3.24Å; A15-V19 WeakPolarHBondContact O-CG2 3.2Å; A15-V19 PolarHBondContact O-N 3.49Å; V17-V19 PolarHBondContact O-N 3.04Å; V19-G23 PolarHBondContact O-N 3.22Å
20	V	54.3	Low	53.2	Low	94 Å²	94	80 Å²	80	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-67.7	-46.7	177	173.3	0	0	0	0	111.2	S16 V17 G23 V24	S16-V20 VanDerWaalsContact O-CG2 3.23Å; S16-V20 WeakPolarHBondContact O-CG2 3.5Å; S16-V20 PolarHBondContact O-N 3.17Å; S16-V20 VanDerWaalsContact O-N 3.08Å; V17-V20 PolarHBondContact O-N 2.8Å; V20-G23 PolarHBondContact O-N 3.15Å; V20-V24 WeakPolarHBondContact O-CB 3.09Å; V20-V24 VanDerWaalsContact O-CG2 3.26Å; V20-V24 WeakPolarHBondContact O-CG2 3.38Å; V20-V24 PolarHBondContact O-N 3.04Å
21	F	51.7	Low	54.6	Low	148 Å²	148	81.7 Å²	81.7	65%	0.649	52%	0.516	S	S	*	.	H	α-helix	trans	-67.3	-39.7	177.3	-84.7	-79.6	0	0	0	112.6	V17 V24 A25	V17-F21 HydrophobicContact CG1-CD2 3.63Å; V17-F21 HydrophobicContact CG1-CE2 3.75Å; V17-F21 WeakPolarHBondContact O-CD2 3.34Å; V17-F21 PolarHBondContact O-N 3.3Å; F21-V24 PolarHBondContact O-N 2.89Å; F21-A25 VanDerWaalsContact O-CB 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.47Å; F21-A25 PolarHBondContact O-N 3.03Å
22	G	54.4	Low	55.4	Low	41 Å²	41	80.7 Å²	80.7	42%	0.423	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-40	174.7	0	0	0	0	0	112.7	C18 L26	C18-G22 PolarHBondContact O-N 3.36Å; G22-L26 WeakPolarHBondContact O-CB 3.33Å; G22-L26 PolarHBondContact O-N 3.15Å
23	G	56.7	Low	55.7	Low	40 Å²	40	83.6 Å²	83.6	41%	0.412	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-40.8	175.6	0	0	0	0	0	113.1	V19 V20 A27	V19-G23 PolarHBondContact O-N 3.22Å; V20-G23 PolarHBondContact O-N 3.15Å; G23-A27 WeakPolarHBondContact O-CB 3.11Å; G23-A27 PolarHBondContact O-N 3.28Å
24	V	65.2	Low	56.2	Low	73 Å²	73	88.7 Å²	88.7	44%	0.442	52%	0.521	S	S	.	.	H	α-helix	trans	-68.9	-43.2	175.7	173.4	0	0	0	0	111.2	V20 F21 A27 Q28	V20-V24 WeakPolarHBondContact O-CB 3.09Å; V20-V24 VanDerWaalsContact O-CG2 3.26Å; V20-V24 WeakPolarHBondContact O-CG2 3.38Å; V20-V24 PolarHBondContact O-N 3.04Å; F21-V24 PolarHBondContact O-N 2.89Å; V24-A27 PolarHBondContact O-N 2.74Å; V24-Q28 HydrophobicContact CG1-CG 4.38Å; V24-Q28 WeakPolarHBondContact O-CB 3.43Å; V24-Q28 VanDerWaalsContact O-CG 3.28Å; V24-Q28 WeakPolarHBondContact O-CG 3.29Å; V24-Q28 PolarHBondContact O-N 2.84Å
25	A	62.5	Low	56.4	Low	55 Å²	55	92.9 Å²	92.9	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-40.3	176.3	0	0	0	0	0	111.8	F21 Y29	F21-A25 VanDerWaalsContact O-CB 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.47Å; F21-A25 PolarHBondContact O-N 3.03Å; A25-Y29 WeakPolarHBondContact O-CB 3.5Å; A25-Y29 PolarHBondContact O-N 3.32Å
26	L	62.2	Low	56.6	Low	101 Å²	101	100.4 Å²	100.4	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-68.3	-40.2	175.5	-173.1	65.3	0	0	0	111.5	G22 Y29 I30	G22-L26 WeakPolarHBondContact O-CB 3.33Å; G22-L26 PolarHBondContact O-N 3.15Å; L26-Y29 PolarHBondContact O-N 3.41Å; L26-I30 HydrophobicContact CD1-CD1 4.25Å; L26-I30 HydrophobicContact CD1-CG1 4.49Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 HydrophobicContact CG-CG1 4.49Å; L26-I30 WeakPolarHBondContact O-CB 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.48Å; L26-I30 PolarHBondContact O-N 3.11Å
27	A	65.6	Low	56.5	Low	51 Å²	51	101 Å²	101	42%	0.421	55%	0.554	S	S	.	*	H	α-helix	trans	-65.4	-43.4	174.9	0	0	0	0	0	111.7	G23 V24 Y29 I30 V31	G23-A27 WeakPolarHBondContact O-CB 3.11Å; G23-A27 PolarHBondContact O-N 3.28Å; V24-A27 PolarHBondContact O-N 2.74Å; A27-Y29 VanDerWaalsContact C-N 3.35Å; A27-I30 PolarHBondContact O-N 3.16Å; A27-V31 VanDerWaalsContact O-CB 3.31Å; A27-V31 WeakPolarHBondContact O-CB 3.35Å; A27-V31 WeakPolarHBondContact O-CG2 3.33Å; A27-V31 PolarHBondContact O-N 3.3Å
28	Q	65.3	Low	56.4	Low	132 Å²	132	100.3 Å²	100.3	62%	0.617	56%	0.563	S	S	*	*	H	α-helix	trans	-63.2	-40.8	173.8	-76	177.3	-16.7	0	0	111.6	V24 V31 A32	V24-Q28 HydrophobicContact CG1-CG 4.38Å; V24-Q28 WeakPolarHBondContact O-CB 3.43Å; V24-Q28 VanDerWaalsContact O-CG 3.28Å; V24-Q28 WeakPolarHBondContact O-CG 3.29Å; V24-Q28 PolarHBondContact O-N 2.84Å; Q28-V31 PolarHBondContact O-N 3.3Å; Q28-A32 WeakPolarHBondContact O-CB 3.47Å; Q28-A32 PolarHBondContact O-N 2.96Å
29	Y	65.3	Low	56.5	Low	139 Å²	139	102.9 Å²	102.9	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-65.4	-43.4	174.9	179.4	-97.1	0	0	0	111.8	A25 L26 A27 A32 K33	A25-Y29 WeakPolarHBondContact O-CB 3.5Å; A25-Y29 PolarHBondContact O-N 3.32Å; L26-Y29 PolarHBondContact O-N 3.41Å; A27-Y29 VanDerWaalsContact C-N 3.35Å; Y29-A32 PolarHBondContact O-N 3.15Å; Y29-K33 HydrophobicContact CE1-CD 3.88Å; Y29-K33 WeakPolarHBondContact O-CB 3.49Å; Y29-K33 PolarHBondContact O-N 2.82Å
30	I	66.8	Low	56.9	Low	84 Å²	84	107 Å²	107	43%	0.431	57%	0.572	S	S	.	*	H	α-helix	trans	-66.8	-39.4	176.4	-70.2	167.7	0	0	0	110.8	L26 A27 K33 K34	L26-I30 HydrophobicContact CD1-CD1 4.25Å; L26-I30 HydrophobicContact CD1-CG1 4.49Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 HydrophobicContact CG-CG1 4.49Å; L26-I30 WeakPolarHBondContact O-CB 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.48Å; L26-I30 PolarHBondContact O-N 3.11Å; A27-I30 PolarHBondContact O-N 3.16Å; I30-K33 PolarHBondContact O-N 3.46Å; I30-K34 VanDerWaalsContact O-CB 3.3Å; I30-K34 WeakPolarHBondContact O-CB 3.3Å; I30-K34 PolarHBondContact O-N 2.84Å
31	V	64	Low	57.5	Low	80 Å²	80	107 Å²	107	49%	0.485	57%	0.573	S	S	.	*	H	α-helix	trans	-67.6	-42.2	175	168.9	0	0	0	0	111	A27 Q28 K34 K35	A27-V31 VanDerWaalsContact O-CB 3.31Å; A27-V31 WeakPolarHBondContact O-CB 3.35Å; A27-V31 WeakPolarHBondContact O-CG2 3.33Å; A27-V31 PolarHBondContact O-N 3.3Å; Q28-V31 PolarHBondContact O-N 3.3Å; V31-K34 PolarHBondContact O-N 3.31Å; V31-K35 WeakPolarHBondContact O-CB 3.17Å; V31-K35 WeakPolarHBondContact O-CG 3.34Å; V31-K35 PolarHBondContact O-N 3.34Å
32	A	57.8	Low	58.8	Low	49 Å²	49	102.8 Å²	102.8	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-66	-38	174.5	0	0	0	0	0	111.7	Q28 Y29 K35 R36	Q28-A32 WeakPolarHBondContact O-CB 3.47Å; Q28-A32 PolarHBondContact O-N 2.96Å; Y29-A32 PolarHBondContact O-N 3.15Å; A32-K35 PolarHBondContact O-N 2.73Å; A32-R36 WeakPolarHBondContact O-CB 3.47Å; A32-R36 WeakPolarHBondContact O-CG 3.32Å; A32-R36 PolarHBondContact O-N 3.24Å
33	K	49.1	Very low	60.2	Low	124 Å²	124	103.1 Å²	103.1	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-73	-34.4	176	-159.9	178	-174.1	178	0	111.7	Y29 I30 R36 A37	Y29-K33 HydrophobicContact CE1-CD 3.88Å; Y29-K33 WeakPolarHBondContact O-CB 3.49Å; Y29-K33 PolarHBondContact O-N 2.82Å; I30-K33 PolarHBondContact O-N 3.46Å; K33-R36 PolarHBondContact O-N 3.12Å; K33-A37 WeakPolarHBondContact O-CA 3.19Å; K33-A37 WeakPolarHBondContact O-CB 3.2Å; K33-A37 PolarHBondContact O-N 3.16Å
34	K	52.8	Low	61.5	Low	162 Å²	162	101.6 Å²	101.6	70%	0.704	53%	0.527	S	S	*	.	H	α-helix	trans	-68.8	-40.1	169.2	-95.2	-175.4	169.9	-178.9	0	111.9	I30 V31 R36 A37 G38	I30-K34 VanDerWaalsContact O-CB 3.3Å; I30-K34 WeakPolarHBondContact O-CB 3.3Å; I30-K34 PolarHBondContact O-N 2.84Å; V31-K34 PolarHBondContact O-N 3.31Å; K34-R36 VanDerWaalsContact C-N 3.33Å; K34-A37 PolarHBondContact O-N 2.85Å; K34-G38 PolarHBondContact O-N 3.34Å; K34-G38 VanDerWaalsContact O-N 3.08Å
35	K	50.9	Low	62.4	Low	163 Å²	163	101.6 Å²	101.6	71%	0.709	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-37	172.1	-82.7	-174	173.1	-174.9	0	112	V31 A32	V31-K35 WeakPolarHBondContact O-CB 3.17Å; V31-K35 WeakPolarHBondContact O-CG 3.34Å; V31-K35 PolarHBondContact O-N 3.34Å; A32-K35 PolarHBondContact O-N 2.73Å
36	R	49.3	Very low	63.6	Low	216 Å²	216	105 Å²	105	82%	0.815	53%	0.53	S	S	*	.	H	α-helix	trans	-77.5	-37.1	174.6	-82	-177.4	169.8	177.1	-2	113.6	A32 K33 K34 G38	A32-R36 WeakPolarHBondContact O-CB 3.47Å; A32-R36 WeakPolarHBondContact O-CG 3.32Å; A32-R36 PolarHBondContact O-N 3.24Å; K33-R36 PolarHBondContact O-N 3.12Å; K34-R36 VanDerWaalsContact C-N 3.33Å; R36-G38 VanDerWaalsContact C-N 3.28Å; R36-G38 PolarHBondContact O-N 3.38Å
37	A	46.3	Very low	65	Low	87 Å²	87	100.4 Å²	100.4	72%	0.719	51%	0.506	S	S	*	.	H	α-helix	trans	-76.2	-15	-179.8	0	0	0	0	0	113.3	K33 K34	K33-A37 WeakPolarHBondContact O-CA 3.19Å; K33-A37 WeakPolarHBondContact O-CB 3.2Å; K33-A37 PolarHBondContact O-N 3.16Å; K34-A37 PolarHBondContact O-N 2.85Å
38	G	45.4	Very low	66.3	Low	64 Å²	64	102.1 Å²	102.1	66%	0.66	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-11.4	177.1	0	0	0	0	0	115.4	K34 R36 K40	K34-G38 PolarHBondContact O-N 3.34Å; K34-G38 VanDerWaalsContact O-N 3.08Å; R36-G38 VanDerWaalsContact C-N 3.28Å; R36-G38 PolarHBondContact O-N 3.38Å; G38-K40 PolarHBondContact O-N 3.39Å
39	K	50.4	Low	67.8	Low	148 Å²	148	98.6 Å²	98.6	64%	0.643	50%	0.496	S	S	*	.			trans	-87.1	94.7	173.5	-119.3	-171.9	178.3	-163.4	0	107.9	T41	K39-T41 PolarHBondContact O-N 2.95Å; K39-T41 VanDerWaalsContact O-N 3.14Å
40	K	59.2	Low	69.3	Low	195 Å²	195	92.8 Å²	92.8	85%	0.848	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-54.8	120.3	160.7	-78.5	-177.9	175.7	179.7	0	106.2	G38 R42	G38-K40 PolarHBondContact O-N 3.39Å; K40-R42 PolarHBondContact O-N 3.41Å
41	T	67.2	Low	70.6	Confident	94 Å²	94	96 Å²	96	58%	0.577	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-57.5	127.4	173.3	-54.5	0	0	0	0	107.6	K39 E45 M46	K39-T41 PolarHBondContact O-N 2.95Å; K39-T41 VanDerWaalsContact O-N 3.14Å; T41-E45 HydrophobicContact CG2-CB 4.43Å; T41-M46 HydrophobicContact CG2-CG 3.64Å; T41-M46 HydrophobicContact CG2-SD 4.03Å
42	R	77.6	Confident	72.1	Confident	61 Å²	61	94.8 Å²	94.8	23%	0.23	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-73.7	144.5	-174	-63.7	-169.7	-80.7	178.4	2.6	110.4	K40 I44 E45 M46 E64	K40-R42 PolarHBondContact O-N 3.41Å; R42-I44 HydrophobicContact CB-CG1 3.98Å; R42-I44 PolarHBondContact O-N 3.32Å; R42-E45 HydrophobicContact CB-CB 4.17Å; R42-E45 HydrophobicContact CB-CG 3.86Å; R42-E45 IonicContact CZ-OE1 3.54Å; R42-E45 PolarHBondContact N-OE2 2.82Å; R42-E45 IonicContact NE-OE1 3.66Å; R42-E45 PolarHBondContact NE-OE1 3.4Å; R42-E45 IonicContact NE-OE2 3.43Å; R42-E45 IonicContact NH2-OE1 3.74Å; R42-E45 PolarHBondContact NH2-OE1 3.26Å; R42-E45 WeakPolarHBondContact O-CB 3.24Å; R42-E45 PolarHBondContact O-N 2.97Å; R42-M46 PolarHBondContact O-N 3.48Å; R42-E64 WeakPolarHBondContact CA-OE1 3.3Å; R42-E64 VanDerWaalsContact CB-CD 3.42Å; R42-E64 VanDerWaalsContact CB-OE1 3.24Å; R42-E64 WeakPolarHBondContact CB-OE1 3.38Å; R42-E64 WeakPolarHBondContact CB-OE2 3.3Å; R42-E64 WeakPolarHBondContact CD-OE2 3.34Å; R42-E64 WeakPolarHBondContact CG-OE2 3.32Å
43	I	83.8	Confident	74	Confident	47 Å²	47	98.1 Å²	98.1	24%	0.241	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-42.7	178.9	-64.3	-178.8	0	0	0	110.1	E45 M46 M47 E64 I71	I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 2.78Å; I43-M46 WeakPolarHBondContact O-CB 3.23Å; I43-M46 PolarHBondContact O-N 3.11Å; I43-M47 HydrophobicContact CG2-SD 3.95Å; I43-M47 WeakPolarHBondContact O-CG 3.41Å; I43-E64 PolarHBondContact N-OE1 2.86Å; I43-I71 HydrophobicContact CD1-CD1 3.7Å; I43-I71 HydrophobicContact CG2-CD1 4.4Å
44	I	85.3	Confident	76.3	Confident	9 Å²	9	93.8 Å²	93.8	5%	0.046	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-64.8	-30.1	178.3	60	172.6	0	0	0	113.1	R42 M46 M47 F50 P60 V63 E64 I67	R42-I44 HydrophobicContact CB-CG1 3.98Å; R42-I44 PolarHBondContact O-N 3.32Å; I44-M46 PolarHBondContact O-N 3.07Å; I44-M47 PolarHBondContact O-N 3.15Å; I44-F50 HydrophobicContact CB-CD1 4.11Å; I44-F50 HydrophobicContact CB-CE1 4.41Å; I44-F50 HydrophobicContact CB-CG 4.4Å; I44-F50 HydrophobicContact CG2-CD1 4.13Å; I44-F50 HydrophobicContact CG2-CE1 3.92Å; I44-F50 HydrophobicContact CG2-CZ 4.32Å; I44-P60 HydrophobicContact CD1-CB 3.84Å; I44-P60 WeakPolarHBondContact CD1-O 3.47Å; I44-V63 HydrophobicContact CG2-CG1 4.41Å; I44-E64 HydrophobicContact CD1-CB 4.32Å; I44-E64 HydrophobicContact CG1-CB 4.46Å; I44-I67 HydrophobicContact CG2-CD1 3.76Å
45	E	84.4	Confident	78.4	Confident	73 Å²	73	86.9 Å²	86.9	34%	0.341	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-73.6	-12.7	174.3	-71	172.1	172.7	0	0	112.3	T41 R42 I43	T41-E45 HydrophobicContact CG2-CB 4.43Å; R42-E45 HydrophobicContact CB-CB 4.17Å; R42-E45 HydrophobicContact CB-CG 3.86Å; R42-E45 IonicContact CZ-OE1 3.54Å; R42-E45 PolarHBondContact N-OE2 2.82Å; R42-E45 IonicContact NE-OE1 3.66Å; R42-E45 PolarHBondContact NE-OE1 3.4Å; R42-E45 IonicContact NE-OE2 3.43Å; R42-E45 IonicContact NH2-OE1 3.74Å; R42-E45 PolarHBondContact NH2-OE1 3.26Å; R42-E45 WeakPolarHBondContact O-CB 3.24Å; R42-E45 PolarHBondContact O-N 2.97Å; I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 2.78Å
46	M	86.3	Confident	80.7	Confident	127 Å²	127	81.6 Å²	81.6	63%	0.626	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-99.4	5.8	175.9	-58	-178.6	66	0	0	112.5	T41 R42 I43 I44	T41-M46 HydrophobicContact CG2-CG 3.64Å; T41-M46 HydrophobicContact CG2-SD 4.03Å; R42-M46 PolarHBondContact O-N 3.48Å; I43-M46 WeakPolarHBondContact O-CB 3.23Å; I43-M46 PolarHBondContact O-N 3.11Å; I44-M46 PolarHBondContact O-N 3.07Å
47	M	91.6	Very high	83	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.02	40%	0.396	C	S	.	.			trans	-114.9	99.6	-177.7	-66.7	173.1	72.9	0	0	109.1	I43 I44 Q49 F50 A325 I326 K329	I43-M47 HydrophobicContact CG2-SD 3.95Å; I43-M47 WeakPolarHBondContact O-CG 3.41Å; I44-M47 PolarHBondContact O-N 3.15Å; M47-Q49 PolarHBondContact O-N 2.84Å; M47-F50 HydrophobicContact CB-CD2 3.67Å; M47-F50 HydrophobicContact CB-CE2 4.27Å; M47-F50 HydrophobicContact CB-CG 4.48Å; M47-F50 HydrophobicContact CE-CD2 4.09Å; M47-F50 HydrophobicContact CE-CE2 3.5Å; M47-F50 VanDerWaalsContact CE-CE2 3.5Å; M47-F50 HydrophobicContact CE-CZ 4.42Å; M47-F50 WeakPolarHBondContact O-CB 3.23Å; M47-F50 PolarHBondContact O-N 2.89Å; M47-F50 HydrophobicContact SD-CD2 4.29Å; M47-F50 HydrophobicContact SD-CE2 3.97Å; M47-A325 HydrophobicContact CE-CB 3.46Å; M47-A325 VanDerWaalsContact CE-CB 3.46Å; M47-A325 VanDerWaalsContact CE-O 3.28Å; M47-A325 WeakPolarHBondContact CE-O 3.36Å; M47-I326 HydrophobicContact CE-CG1 4.32Å; M47-K329 HydrophobicContact CE-CG 4.25Å; M47-K329 HydrophobicContact SD-CG 4.25Å
48	P	94	Very high	85.5	Confident	87 Å²	87	74.4 Å²	74.4	57%	0.565	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-55.5	-26.4	-176	-26.7	34.5	0	0	0	114	F50 E51	P48-F50 PolarHBondContact O-N 3.03Å; P48-E51 WeakPolarHBondContact O-CB 3.02Å; P48-E51 PolarHBondContact O-N 3.46Å
49	Q	96.9	Very high	87.9	Confident	58 Å²	58	75 Å²	75	27%	0.271	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-60	-27.6	176.6	-60.8	80.4	4.5	0	0	112.5	M47 K52 V55 E321 V322 A325	M47-Q49 PolarHBondContact O-N 2.84Å; Q49-K52 WeakPolarHBondContact O-CG 3.46Å; Q49-V55 WeakPolarHBondContact O-CG2 3.38Å; Q49-E321 HydrophobicContact CG-CB 4.22Å; Q49-V322 HydrophobicContact CB-CG2 4.06Å; Q49-A325 HydrophobicContact CB-CB 4.14Å; Q49-A325 HydrophobicContact CG-CB 3.83Å
50	F	95.3	Very high	90.1	Very high	17 Å²	17	69.9 Å²	69.9	8%	0.075	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-82.8	-10.8	178	-77	-108.6	0	0	0	113.2	I44 M47 P48 K52 V55 M57 V63 I67 I312 V322 I326	I44-F50 HydrophobicContact CB-CD1 4.11Å; I44-F50 HydrophobicContact CB-CE1 4.41Å; I44-F50 HydrophobicContact CB-CG 4.4Å; I44-F50 HydrophobicContact CG2-CD1 4.13Å; I44-F50 HydrophobicContact CG2-CE1 3.92Å; I44-F50 HydrophobicContact CG2-CZ 4.32Å; M47-F50 HydrophobicContact CB-CD2 3.67Å; M47-F50 HydrophobicContact CB-CE2 4.27Å; M47-F50 HydrophobicContact CB-CG 4.48Å; M47-F50 HydrophobicContact CE-CD2 4.09Å; M47-F50 HydrophobicContact CE-CE2 3.5Å; M47-F50 VanDerWaalsContact CE-CE2 3.5Å; M47-F50 HydrophobicContact CE-CZ 4.42Å; M47-F50 WeakPolarHBondContact O-CB 3.23Å; M47-F50 PolarHBondContact O-N 2.89Å; M47-F50 HydrophobicContact SD-CD2 4.29Å; M47-F50 HydrophobicContact SD-CE2 3.97Å; P48-F50 PolarHBondContact O-N 3.03Å; F50-K52 VanDerWaalsContact C-N 3.3Å; F50-V55 HydrophobicContact CD1-CG1 4.4Å; F50-M57 HydrophobicContact CD1-CE 3.97Å; F50-M57 HydrophobicContact CD1-SD 4.04Å; F50-M57 HydrophobicContact CE1-SD 4.22Å; F50-V63 HydrophobicContact CE1-CG1 4.38Å; F50-I67 HydrophobicContact CE1-CD1 4.28Å; F50-I67 HydrophobicContact CZ-CD1 3.94Å; F50-I312 HydrophobicContact CE1-CD1 3.68Å; F50-I312 HydrophobicContact CZ-CD1 3.98Å; F50-V322 HydrophobicContact CE1-CG1 4.41Å; F50-V322 HydrophobicContact CE2-CG1 3.94Å; F50-V322 HydrophobicContact CZ-CG1 3.87Å; F50-I326 HydrophobicContact CE2-CG1 4.14Å; F50-I326 HydrophobicContact CZ-CD1 3.96Å; F50-I326 HydrophobicContact CZ-CG1 3.85Å
51	E	94.1	Very high	91.8	Very high	151 Å²	151	66.5 Å²	66.5	71%	0.706	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-85.4	-6.1	176	-58.2	-174.9	163.5	0	0	112.4	P48	P48-E51 WeakPolarHBondContact O-CB 3.02Å; P48-E51 PolarHBondContact O-N 3.46Å
52	K	96.3	Very high	93.2	Very high	55 Å²	55	68.4 Å²	68.4	24%	0.239	34%	0.336	C	S	.	.	S	Bend	trans	-63.3	142.2	179.1	-70.9	-174.6	177	-166.6	0	110.8	Q49 F50 T54 V55 E321	Q49-K52 WeakPolarHBondContact O-CG 3.46Å; F50-K52 VanDerWaalsContact C-N 3.3Å; K52-T54 PolarHBondContact O-N 2.91Å; K52-T54 VanDerWaalsContact O-N 3.1Å; K52-V55 HydrophobicContact CB-CG2 4.04Å; K52-V55 PolarHBondContact O-N 2.88Å; K52-E321 WeakPolarHBondContact CE-OE2 3.28Å; K52-E321 IonicContact NZ-OE1 3.23Å; K52-E321 PolarHBondContact NZ-OE1 3.11Å; K52-E321 IonicContact NZ-OE2 3.56Å; K52-E321 PolarHBondContact NZ-OE2 3.25Å
53	P	97.1	Very high	94.2	Very high	119 Å²	119	65.6 Å²	65.6	77%	0.773	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.6	177.8	29.4	-36.4	0	0	0	113.3	V55 H56	P53-V55 VanDerWaalsContact C-N 3.27Å; P53-H56 PolarHBondContact O-NE2 3.4Å
54	T	97.6	Very high	94.8	Very high	32 Å²	32	65 Å²	65	20%	0.196	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.6	174.6	56.1	0	0	0	0	112.7	K52 H56 L314 V315 D317	K52-T54 PolarHBondContact O-N 2.91Å; K52-T54 VanDerWaalsContact O-N 3.1Å; T54-H56 PolarHBondContact O-CD2 3.23Å; T54-L314 CarbonylContact O-C 3.15Å; T54-L314 WeakPolarHBondContact O-CA 3.16Å; T54-V315 WeakPolarHBondContact CB-O 3.45Å; T54-V315 VanDerWaalsContact CG2-O 3.29Å; T54-V315 WeakPolarHBondContact CG2-O 3.43Å; T54-V315 PolarHBondContact O-N 3.09Å; T54-D317 PolarHBondContact OG1-OD2 3.23Å
55	V	98.4	Very high	95.4	Very high	17 Å²	17	70.9 Å²	70.9	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.9	-173.4	-176.7	0	0	0	0	110.5	Q49 F50 K52 P53 M57 I312 L314 V322	Q49-V55 WeakPolarHBondContact O-CG2 3.38Å; F50-V55 HydrophobicContact CD1-CG1 4.4Å; K52-V55 HydrophobicContact CB-CG2 4.04Å; K52-V55 PolarHBondContact O-N 2.88Å; P53-V55 VanDerWaalsContact C-N 3.27Å; V55-M57 HydrophobicContact CG1-CE 4.22Å; V55-I312 HydrophobicContact CG1-CG2 4.08Å; V55-L314 HydrophobicContact CB-CD2 4.45Å; V55-L314 HydrophobicContact CG1-CD2 4.49Å; V55-L314 HydrophobicContact CG2-CD2 3.78Å; V55-V322 HydrophobicContact CG2-CG2 3.82Å
56	H	98.5	Very high	96	Very high	53 Å²	53	68.3 Å²	68.3	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137	177.7	-60.4	-100.9	0	0	0	110.3	P53 T54 L303 M307 V313 V315	P53-H56 PolarHBondContact O-NE2 3.4Å; T54-H56 PolarHBondContact O-CD2 3.23Å; H56-L303 HydrophobicContact CB-CD1 4.28Å; H56-M307 HydrophobicContact CB-CG 4.31Å; H56-M307 HydrophobicContact CB-SD 4.02Å; H56-V313 HydrophobicContact CB-CB 4.25Å; H56-V313 PolarHBondContact N-O 3.41Å; H56-V313 PolarHBondContact O-N 2.96Å; H56-V315 WeakPolarHBondContact CD2-CG2 3.49Å
57	M	97.8	Very high	96.6	Very high	39 Å²	39	62.2 Å²	62.2	19%	0.192	31%	0.307	C	S	.	.			trans	-139.7	127	178.4	-67.7	173.2	-77.4	0	0	108.3	F50 V55 P60 V63 I312	F50-M57 HydrophobicContact CD1-CE 3.97Å; F50-M57 HydrophobicContact CD1-SD 4.04Å; F50-M57 HydrophobicContact CE1-SD 4.22Å; V55-M57 HydrophobicContact CG1-CE 4.22Å; M57-P60 HydrophobicContact CB-CG 4.03Å; M57-P60 HydrophobicContact CE-CB 4.43Å; M57-P60 HydrophobicContact SD-CB 4.4Å; M57-V63 HydrophobicContact CB-CG2 4.44Å; M57-V63 HydrophobicContact CG-CG2 4.11Å; M57-V63 HydrophobicContact SD-CB 4.11Å; M57-V63 HydrophobicContact SD-CG1 3.89Å; M57-V63 HydrophobicContact SD-CG2 3.98Å; M57-I312 HydrophobicContact CG-CG1 4.07Å; M57-I312 HydrophobicContact SD-CG1 4.31Å
58	R	97.4	Very high	96.9	Very high	112 Å²	112	63.8 Å²	63.8	42%	0.423	32%	0.318	S	S	.	.	S	Bend	trans	-69.8	-41.7	174	-174.3	76.3	92.4	-171.3	8.2	110.8	D304 M307 D308	R58-D304 IonicContact CZ-OD1 2.79Å; R58-D304 VanDerWaalsContact CZ-OD1 3.23Å; R58-D304 IonicContact NH1-OD1 2.74Å; R58-D304 PolarHBondContact NH1-OD1 2.94Å; R58-D304 VanDerWaalsContact NH2-CG 3.26Å; R58-D304 PolarHBondContact NH2-O 3.03Å; R58-D304 IonicContact NH2-OD1 3.96Å; R58-D304 PolarHBondContact NH2-OD1 2.61Å; R58-D304 IonicContact NH2-OD2 3.15Å; R58-M307 HydrophobicContact CB-CB 4.29Å; R58-M307 HydrophobicContact CB-CE 4.15Å; R58-M307 WeakPolarHBondContact CB-O 3.38Å; R58-D308 IonicContact CZ-OD1 3.99Å; R58-D308 IonicContact NE-OD1 2.94Å; R58-D308 PolarHBondContact NE-OD1 2.82Å; R58-D308 IonicContact NH2-OD1 2.83Å; R58-D308 PolarHBondContact NH2-OD1 2.95Å; R58-D308 IonicContact NH2-OD2 2.67Å; R58-D308 PolarHBondContact NH2-OD2 3.33Å
59	D	97.3	Very high	97.1	Very high	76 Å²	76	60.1 Å²	60.1	41%	0.406	30%	0.296	S	S	.	.			trans	-132.4	87.7	-179.2	-173.1	-14.2	0	0	0	111	E61 R62 V63	D59-E61 PolarHBondContact O-N 3.29Å; D59-E61 PolarHBondContact OD1-N 3.26Å; D59-E61 VanDerWaalsContact OD1-N 3.1Å; D59-R62 HydrophobicContact CB-CB 3.95Å; D59-R62 VanDerWaalsContact CG-CB 3.41Å; D59-R62 PolarHBondContact O-N 3.38Å; D59-R62 PolarHBondContact OD1-N 3.4Å; D59-R62 WeakPolarHBondContact OD2-CB 3.42Å; D59-V63 WeakPolarHBondContact O-CG2 3.5Å; D59-V63 PolarHBondContact O-N 3.11Å; D59-V63 VanDerWaalsContact O-N 3.11Å
60	P	95.9	Very high	97.2	Very high	41 Å²	41	57.3 Å²	57.3	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-25.7	178.3	-22	32.3	0	0	0	114	I44 M57 E64	I44-P60 HydrophobicContact CD1-CB 3.84Å; I44-P60 WeakPolarHBondContact CD1-O 3.47Å; M57-P60 HydrophobicContact CB-CG 4.03Å; M57-P60 HydrophobicContact CE-CB 4.43Å; M57-P60 HydrophobicContact SD-CB 4.4Å; P60-E64 PolarHBondContact O-N 3.12Å
61	E	95.8	Very high	97.3	Very high	124 Å²	124	59.1 Å²	59.1	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-72.2	-42.1	178.7	-64.5	-174.3	179.2	0	0	110.6	D59 E64 Q65	D59-E61 PolarHBondContact O-N 3.29Å; D59-E61 PolarHBondContact OD1-N 3.26Å; D59-E61 VanDerWaalsContact OD1-N 3.1Å; E61-E64 PolarHBondContact O-N 3.11Å; E61-Q65 WeakPolarHBondContact O-CG 3.49Å; E61-Q65 PolarHBondContact O-N 3.34Å
62	R	96.4	Very high	97.5	Very high	135 Å²	135	60.7 Å²	60.7	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-45.3	171.8	177.3	178.5	167.2	175.2	-4.5	111.9	D59 E64 Q65 I66 D311	D59-R62 HydrophobicContact CB-CB 3.95Å; D59-R62 VanDerWaalsContact CG-CB 3.41Å; D59-R62 PolarHBondContact O-N 3.38Å; D59-R62 PolarHBondContact OD1-N 3.4Å; D59-R62 WeakPolarHBondContact OD2-CB 3.42Å; R62-E64 VanDerWaalsContact C-N 3.28Å; R62-E64 PolarHBondContact O-N 3.31Å; R62-Q65 WeakPolarHBondContact O-CB 3.41Å; R62-Q65 PolarHBondContact O-N 2.96Å; R62-Q65 VanDerWaalsContact O-N 3.15Å; R62-I66 HydrophobicContact CG-CD1 3.96Å; R62-I66 WeakPolarHBondContact O-CG1 3.27Å; R62-I66 PolarHBondContact O-N 3.46Å; R62-D311 IonicContact CZ-OD1 2.59Å; R62-D311 IonicContact NE-OD1 3.54Å; R62-D311 PolarHBondContact NE-OD1 2.89Å; R62-D311 IonicContact NH2-OD1 3.7Å
63	V	97.9	Very high	97.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-55.4	-46.2	176.1	171.4	0	0	0	0	110.7	I44 F50 M57 D59 Q65 I66 I67 L290 D311 I312	I44-V63 HydrophobicContact CG2-CG1 4.41Å; F50-V63 HydrophobicContact CE1-CG1 4.38Å; M57-V63 HydrophobicContact CB-CG2 4.44Å; M57-V63 HydrophobicContact CG-CG2 4.11Å; M57-V63 HydrophobicContact SD-CB 4.11Å; M57-V63 HydrophobicContact SD-CG1 3.89Å; M57-V63 HydrophobicContact SD-CG2 3.98Å; D59-V63 WeakPolarHBondContact O-CG2 3.5Å; D59-V63 PolarHBondContact O-N 3.11Å; D59-V63 VanDerWaalsContact O-N 3.11Å; V63-Q65 PolarHBondContact O-N 3.15Å; V63-I66 PolarHBondContact O-N 3.35Å; V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.48Å; V63-I67 WeakPolarHBondContact O-CG1 3.36Å; V63-I67 PolarHBondContact O-N 3.2Å; V63-L290 HydrophobicContact CG1-CD1 4.33Å; V63-D311 HydrophobicContact CG2-CB 3.91Å; V63-D311 VanDerWaalsContact CG2-O 3.27Å; V63-D311 WeakPolarHBondContact CG2-O 3.18Å; V63-I312 HydrophobicContact CG1-CD1 3.87Å; V63-I312 HydrophobicContact CG1-CG1 3.91Å; V63-I312 HydrophobicContact CG2-CG1 4.12Å
64	E	96.3	Very high	97.6	Very high	35 Å²	35	53.6 Å²	53.6	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-42	177.6	179	174.9	-157.5	0	0	112.9	R42 I43 I44 P60 E61 R62 I66 I67 C68	R42-E64 WeakPolarHBondContact CA-OE1 3.3Å; R42-E64 VanDerWaalsContact CB-CD 3.42Å; R42-E64 VanDerWaalsContact CB-OE1 3.24Å; R42-E64 WeakPolarHBondContact CB-OE1 3.38Å; R42-E64 WeakPolarHBondContact CB-OE2 3.3Å; R42-E64 WeakPolarHBondContact CD-OE2 3.34Å; R42-E64 WeakPolarHBondContact CG-OE2 3.32Å; I43-E64 PolarHBondContact N-OE1 2.86Å; I44-E64 HydrophobicContact CD1-CB 4.32Å; I44-E64 HydrophobicContact CG1-CB 4.46Å; P60-E64 PolarHBondContact O-N 3.12Å; E61-E64 PolarHBondContact O-N 3.11Å; R62-E64 VanDerWaalsContact C-N 3.28Å; R62-E64 PolarHBondContact O-N 3.31Å; E64-I66 VanDerWaalsContact C-N 3.32Å; E64-I66 PolarHBondContact O-N 3.01Å; E64-I67 PolarHBondContact O-N 3.48Å; E64-C68 WeakPolarHBondContact O-CB 3.47Å; E64-C68 PolarHBondContact O-N 2.87Å; E64-C68 PolarHBondContact O-SG 3.37Å
65	Q	97.4	Very high	97.6	Very high	133 Å²	133	53.4 Å²	53.4	62%	0.621	26%	0.263	S	S	*	.	H	α-helix	trans	-60.3	-43.9	177.6	-71.8	170.6	14.6	0	0	111.3	E61 R62 V63 C68 G69	E61-Q65 WeakPolarHBondContact O-CG 3.49Å; E61-Q65 PolarHBondContact O-N 3.34Å; R62-Q65 WeakPolarHBondContact O-CB 3.41Å; R62-Q65 PolarHBondContact O-N 2.96Å; R62-Q65 VanDerWaalsContact O-N 3.15Å; V63-Q65 PolarHBondContact O-N 3.15Å; Q65-C68 WeakPolarHBondContact O-CB 3.43Å; Q65-C68 PolarHBondContact O-N 2.69Å; Q65-G69 PolarHBondContact O-N 3.15Å
66	I	98.4	Very high	97.6	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.092	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-51	176.5	-63.7	163.7	0	0	0	109.8	R62 V63 E64 C68 G69 L70 N288 L290	R62-I66 HydrophobicContact CG-CD1 3.96Å; R62-I66 WeakPolarHBondContact O-CG1 3.27Å; R62-I66 PolarHBondContact O-N 3.46Å; V63-I66 PolarHBondContact O-N 3.35Å; E64-I66 VanDerWaalsContact C-N 3.32Å; E64-I66 PolarHBondContact O-N 3.01Å; I66-C68 VanDerWaalsContact C-N 3.29Å; I66-C68 PolarHBondContact O-N 3.43Å; I66-G69 CarbonylContact O-C 3.55Å; I66-G69 WeakPolarHBondContact O-CA 3.44Å; I66-G69 PolarHBondContact O-N 3.02Å; I66-L70 HydrophobicContact CG2-CG 4.4Å; I66-L70 WeakPolarHBondContact O-CG 3.39Å; I66-L70 PolarHBondContact O-N 3.06Å; I66-N288 HydrophobicContact CG2-CB 4.44Å; I66-L290 HydrophobicContact CB-CD1 4.48Å; I66-L290 HydrophobicContact CG2-CB 3.71Å; I66-L290 HydrophobicContact CG2-CD1 4.11Å; I66-L290 HydrophobicContact CG2-CG 4.49Å
67	I	98.3	Very high	97.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-40.4	178.7	-69.8	170.8	0	0	0	111.2	I44 F50 V63 E64 G69 L70 I71 L290 I326	I44-I67 HydrophobicContact CG2-CD1 3.76Å; F50-I67 HydrophobicContact CE1-CD1 4.28Å; F50-I67 HydrophobicContact CZ-CD1 3.94Å; V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.48Å; V63-I67 WeakPolarHBondContact O-CG1 3.36Å; V63-I67 PolarHBondContact O-N 3.2Å; E64-I67 PolarHBondContact O-N 3.48Å; I67-G69 VanDerWaalsContact C-N 3.29Å; I67-G69 PolarHBondContact O-N 3.36Å; I67-L70 WeakPolarHBondContact O-CB 3.42Å; I67-L70 PolarHBondContact O-N 3.11Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.34Å; I67-I71 VanDerWaalsContact O-CG1 3.27Å; I67-I71 WeakPolarHBondContact O-CG1 3.39Å; I67-I71 PolarHBondContact O-N 2.97Å; I67-L290 HydrophobicContact CG1-CD2 4.06Å; I67-I326 HydrophobicContact CD1-CD1 4.5Å; I67-I326 HydrophobicContact CD1-CG1 4.14Å
68	C	97.7	Very high	97.6	Very high	36 Å²	36	55.5 Å²	55.5	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-38.7	173.3	-71.3	0	0	0	0	112.2	E64 Q65 I66 K72	E64-C68 WeakPolarHBondContact O-CB 3.47Å; E64-C68 PolarHBondContact O-N 2.87Å; E64-C68 PolarHBondContact O-SG 3.37Å; Q65-C68 WeakPolarHBondContact O-CB 3.43Å; Q65-C68 PolarHBondContact O-N 2.69Å; I66-C68 VanDerWaalsContact C-N 3.29Å; I66-C68 PolarHBondContact O-N 3.43Å; C68-K72 WeakPolarHBondContact O-CB 3.48Å; C68-K72 VanDerWaalsContact O-CG 3.24Å; C68-K72 WeakPolarHBondContact O-CG 3.45Å; C68-K72 PolarHBondContact O-N 3.27Å
69	G	98.1	Very high	97.7	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-43.7	173.9	0	0	0	0	0	112.6	Q65 I66 I67 K72 G73 N266	Q65-G69 PolarHBondContact O-N 3.15Å; I66-G69 CarbonylContact O-C 3.55Å; I66-G69 WeakPolarHBondContact O-CA 3.44Å; I66-G69 PolarHBondContact O-N 3.02Å; I67-G69 VanDerWaalsContact C-N 3.29Å; I67-G69 PolarHBondContact O-N 3.36Å; G69-K72 PolarHBondContact O-N 3.35Å; G69-G73 PolarHBondContact O-N 3.29Å; G69-G73 VanDerWaalsContact O-N 3.11Å; G69-N266 PolarHBondContact O-ND2 2.62Å
70	L	98.6	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-49.7	174.1	-59.9	-179.2	0	0	0	111.1	I66 I67 K72 G73 G74 L78 N266 I268 N288 L290 I326 V330	I66-L70 HydrophobicContact CG2-CG 4.4Å; I66-L70 WeakPolarHBondContact O-CG 3.39Å; I66-L70 PolarHBondContact O-N 3.06Å; I67-L70 WeakPolarHBondContact O-CB 3.42Å; I67-L70 PolarHBondContact O-N 3.11Å; L70-K72 VanDerWaalsContact C-N 3.33Å; L70-K72 PolarHBondContact O-N 3.33Å; L70-G73 PolarHBondContact O-N 3.14Å; L70-G73 VanDerWaalsContact O-N 3.15Å; L70-G74 PolarHBondContact O-N 3.08Å; L70-L78 HydrophobicContact CD2-CD1 4.39Å; L70-N266 HydrophobicContact CD2-CB 3.67Å; L70-I268 HydrophobicContact CD1-CD1 4.16Å; L70-I268 HydrophobicContact CD1-CG1 3.84Å; L70-N288 HydrophobicContact CD2-CB 4Å; L70-L290 HydrophobicContact CD1-CB 3.99Å; L70-L290 HydrophobicContact CD1-CD2 4.14Å; L70-I326 HydrophobicContact CD1-CG2 4.31Å; L70-V330 HydrophobicContact CB-CG1 4.46Å; L70-V330 HydrophobicContact CB-CG2 3.71Å
71	I	98.1	Very high	97.9	Very high	55 Å²	55	44.7 Å²	44.7	28%	0.282	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-42.5	179	-67	166.5	0	0	0	111.3	I43 I67 G73 G74 K329 V330	I43-I71 HydrophobicContact CD1-CD1 3.7Å; I43-I71 HydrophobicContact CG2-CD1 4.4Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.34Å; I67-I71 VanDerWaalsContact O-CG1 3.27Å; I67-I71 WeakPolarHBondContact O-CG1 3.39Å; I67-I71 PolarHBondContact O-N 2.97Å; I71-G73 VanDerWaalsContact C-N 3.3Å; I71-G73 PolarHBondContact O-N 3.45Å; I71-G74 PolarHBondContact O-N 3.48Å; I71-K329 HydrophobicContact CD1-CB 3.89Å; I71-K329 HydrophobicContact CG1-CB 4.11Å; I71-V330 HydrophobicContact CG1-CG2 3.93Å
72	K	98.1	Very high	98	Very high	183 Å²	183	38.8 Å²	38.8	80%	0.796	20%	0.201	S	C	*	.	H	α-helix	trans	-63.9	-34	178	-76.1	171.1	-175.8	176.1	0	113	C68 G69 L70	C68-K72 WeakPolarHBondContact O-CB 3.48Å; C68-K72 VanDerWaalsContact O-CG 3.24Å; C68-K72 WeakPolarHBondContact O-CG 3.45Å; C68-K72 PolarHBondContact O-N 3.27Å; G69-K72 PolarHBondContact O-N 3.35Å; L70-K72 VanDerWaalsContact C-N 3.33Å; L70-K72 PolarHBondContact O-N 3.33Å
73	G	97.6	Very high	98.1	Very high	11 Å²	11	32.7 Å²	32.7	11%	0.113	18%	0.179	C	C	.	.	H	α-helix	trans	-80.9	-28.3	178	0	0	0	0	0	113.9	G69 L70 I71 S76	G69-G73 PolarHBondContact O-N 3.29Å; G69-G73 VanDerWaalsContact O-N 3.11Å; L70-G73 PolarHBondContact O-N 3.14Å; L70-G73 VanDerWaalsContact O-N 3.15Å; I71-G73 VanDerWaalsContact C-N 3.3Å; I71-G73 PolarHBondContact O-N 3.45Å; G73-S76 PolarHBondContact O-OG 2.85Å; G73-S76 VanDerWaalsContact O-OG 3.12Å
74	G	98.3	Very high	98.2	Very high	15 Å²	15	32.7 Å²	32.7	16%	0.155	18%	0.178	C	C	.	.			trans	57.2	-162.4	-178.6	0	0	0	0	0	113.6	L70 I71 S76 K77 L78 V330	L70-G74 PolarHBondContact O-N 3.08Å; I71-G74 PolarHBondContact O-N 3.48Å; G74-S76 VanDerWaalsContact C-N 3.26Å; G74-S76 PolarHBondContact O-N 3.28Å; G74-K77 PolarHBondContact O-N 3.46Å; G74-L78 WeakPolarHBondContact O-CB 3.29Å; G74-L78 PolarHBondContact O-N 3.41Å; G74-V330 WeakPolarHBondContact CA-O 3.38Å
75	A	97.8	Very high	98.3	Very high	28 Å²	28	31.8 Å²	31.8	23%	0.231	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-53.9	-39.5	179	0	0	0	0	0	113.6	K77 L78 H190 V192 L331	A75-K77 PolarHBondContact O-N 2.74Å; A75-K77 VanDerWaalsContact O-N 3.12Å; A75-L78 PolarHBondContact O-N 3.1Å; A75-L78 VanDerWaalsContact O-N 3.16Å; A75-H190 HydrophobicContact CB-CB 4.01Å; A75-V192 HydrophobicContact CB-CG2 4.41Å; A75-L331 HydrophobicContact CB-CD2 3.6Å
76	S	97.4	Very high	98.3	Very high	88 Å²	88	25.9 Å²	25.9	62%	0.615	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-64.2	-19.8	-173.5	64.9	0	0	0	0	114.8	G73 G74	G73-S76 PolarHBondContact O-OG 2.85Å; G73-S76 VanDerWaalsContact O-OG 3.12Å; G74-S76 VanDerWaalsContact C-N 3.26Å; G74-S76 PolarHBondContact O-N 3.28Å
77	K	98.3	Very high	98.3	Very high	64 Å²	64	25 Å²	25	28%	0.278	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-112.4	-7.8	177.1	-67.1	-162	174.4	-161.1	0	113.4	G74 A75 Y264 S265 N266 E287	G74-K77 PolarHBondContact O-N 3.46Å; A75-K77 PolarHBondContact O-N 2.74Å; A75-K77 VanDerWaalsContact O-N 3.12Å; K77-Y264 CarbonylContact O-C 3.56Å; K77-Y264 WeakPolarHBondContact O-CA 3.48Å; K77-S265 PolarHBondContact O-N 3.14Å; K77-S265 VanDerWaalsContact O-N 3.15Å; K77-N266 HydrophobicContact CB-CB 4.24Å; K77-N266 WeakPolarHBondContact O-CA 3.39Å; K77-N266 WeakPolarHBondContact O-CB 3.24Å; K77-N266 PolarHBondContact O-N 3.46Å; K77-E287 IonicContact NZ-OE1 2.74Å; K77-E287 PolarHBondContact NZ-OE1 2.8Å; K77-E287 IonicContact NZ-OE2 2.77Å; K77-E287 PolarHBondContact NZ-OE2 2.74Å
78	L	98.8	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.2	-170.6	-176.9	67.6	0	0	0	112.1	L70 G74 A75 V192 Y264 N266 I268 L327 V330 L331	L70-L78 HydrophobicContact CD2-CD1 4.39Å; G74-L78 WeakPolarHBondContact O-CB 3.29Å; G74-L78 PolarHBondContact O-N 3.41Å; A75-L78 PolarHBondContact O-N 3.1Å; A75-L78 VanDerWaalsContact O-N 3.16Å; L78-V192 HydrophobicContact CB-CG1 4.41Å; L78-V192 HydrophobicContact CB-CG2 4.49Å; L78-V192 HydrophobicContact CD2-CG1 4.1Å; L78-V192 HydrophobicContact CD2-CG2 4.25Å; L78-V192 HydrophobicContact CG-CG1 4.01Å; L78-V192 WeakPolarHBondContact O-CG1 3.35Å; L78-Y264 WeakPolarHBondContact O-CD1 3.48Å; L78-N266 CarbonylContact C-O 3.44Å; L78-N266 WeakPolarHBondContact CA-O 2.99Å; L78-N266 HydrophobicContact CD1-CB 4.46Å; L78-I268 HydrophobicContact CD1-CD1 4.04Å; L78-I268 HydrophobicContact CD1-CG1 4.02Å; L78-L327 HydrophobicContact CD2-CD2 3.73Å; L78-V330 HydrophobicContact CD2-CG1 3.97Å; L78-L331 HydrophobicContact CD2-CD2 4.02Å; L78-L331 HydrophobicContact CD2-CG 4.43Å
79	Q	98.6	Very high	98.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.6	159.6	62.2	-180	-57.1	0	0	110.7	P193 Y264 N266 I267 I268	Q79-P193 HydrophobicContact CB-CB 4.32Å; Q79-Y264 PolarHBondContact NE2-O 3.4Å; Q79-N266 PolarHBondContact N-O 3.44Å; Q79-I267 HydrophobicContact CG-CG1 3.82Å; Q79-I267 WeakPolarHBondContact O-CA 3.19Å; Q79-I268 PolarHBondContact O-N 2.97Å; Q79-I268 VanDerWaalsContact O-N 3.11Å
80	V	98.8	Very high	98.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.5	175.8	174.9	0	0	0	0	109.1	T82 F183 L187 V192 P193 V194 F195 I268	V80-T82 HydrophobicContact CG1-CG2 4.45Å; V80-F183 HydrophobicContact CG1-CZ 3.93Å; V80-L187 HydrophobicContact CG2-CD1 4.05Å; V80-L187 HydrophobicContact CG2-CD2 3.64Å; V80-V192 HydrophobicContact CG2-CG1 4.21Å; V80-P193 PolarHBondContact N-O 3.35Å; V80-V194 HydrophobicContact CB-CG1 4.37Å; V80-V194 HydrophobicContact CB-CG2 4.33Å; V80-V194 HydrophobicContact CG1-CG1 4.27Å; V80-V194 CarbonylContact O-C 3.56Å; V80-V194 WeakPolarHBondContact O-CA 3.14Å; V80-F195 PolarHBondContact O-N 3.29Å; V80-I268 WeakPolarHBondContact CA-O 2.93Å; V80-I268 HydrophobicContact CG2-CB 4.49Å
81	I	98.8	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.4	172.5	-61.4	178.6	0	0	0	106.6	F195 F258 I267 I268 L269 L270 M279 A280 V283	I81-F195 WeakPolarHBondContact CA-O 3.32Å; I81-F195 HydrophobicContact CG1-CB 4.3Å; I81-F195 HydrophobicContact CG2-CD1 4.26Å; I81-F258 HydrophobicContact CD1-CE1 3.83Å; I81-F258 HydrophobicContact CD1-CZ 4.25Å; I81-F258 HydrophobicContact CG1-CE1 4.47Å; I81-I267 HydrophobicContact CB-CG2 4.38Å; I81-I267 HydrophobicContact CD1-CG2 4.04Å; I81-I267 HydrophobicContact CG1-CG2 4.17Å; I81-I268 PolarHBondContact N-O 2.76Å; I81-L269 CarbonylContact O-C 3.54Å; I81-L269 VanDerWaalsContact O-CA 3.23Å; I81-L269 WeakPolarHBondContact O-CA 2.92Å; I81-L270 PolarHBondContact O-N 3.41Å; I81-M279 HydrophobicContact CG2-CB 3.55Å; I81-M279 HydrophobicContact CG2-CE 4.4Å; I81-A280 HydrophobicContact CD1-CB 3.79Å; I81-V283 HydrophobicContact CD1-CG2 3.66Å
82	T	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.7	-172	-175.4	0	0	0	0	111.6	V80 I88 V194 F195 I196 F197 L270	V80-T82 HydrophobicContact CG1-CG2 4.45Å; T82-I88 HydrophobicContact CG2-CD1 4.48Å; T82-I88 HydrophobicContact CG2-CG1 4.36Å; T82-V194 HydrophobicContact CG2-CG1 4.33Å; T82-F195 PolarHBondContact N-O 3.38Å; T82-I196 HydrophobicContact CG2-CB 4.4Å; T82-I196 HydrophobicContact CG2-CG1 3.88Å; T82-I196 CarbonylContact O-C 3.54Å; T82-I196 WeakPolarHBondContact O-CA 3.37Å; T82-F197 PolarHBondContact O-N 3.01Å; T82-L270 WeakPolarHBondContact CA-O 3.17Å; T82-L270 WeakPolarHBondContact OG1-CB 3.04Å
83	D	98.7	Very high	98.1	Very high	8 Å²	8	18 Å²	18	4%	0.043	11%	0.112	C	C	.	.			trans	-69.2	173.7	157.2	-176.1	59.1	0	0	0	110	D85 T87 I88 K247 L270 M279	D83-D85 PolarHBondContact OD2-N 2.84Å; D83-T87 HydrophobicContact CB-CG2 4.31Å; D83-I88 WeakPolarHBondContact O-CG1 3.31Å; D83-K247 VanDerWaalsContact CG-NZ 3.32Å; D83-K247 IonicContact OD1-NZ 3.2Å; D83-K247 PolarHBondContact OD1-NZ 2.88Å; D83-L270 PolarHBondContact N-O 2.78Å; D83-M279 HydrophobicContact CB-CE 4.21Å; D83-M279 HydrophobicContact CB-SD 4.2Å
84	F	98.8	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.			trans	-115	-54	177.5	-172.3	-94.6	0	0	0	113.5	M86 T87 I88 S89 L101 L176 I196 L205 V208 I209	F84-M86 PolarHBondContact O-N 3.45Å; F84-T87 PolarHBondContact O-N 2.81Å; F84-I88 HydrophobicContact CD2-CB 4.07Å; F84-I88 HydrophobicContact CD2-CG2 4.23Å; F84-I88 HydrophobicContact CE2-CB 4.37Å; F84-I88 HydrophobicContact CE2-CG2 4.08Å; F84-I88 PolarHBondContact O-N 3.36Å; F84-S89 PolarHBondContact O-N 2.8Å; F84-S89 PolarHBondContact O-OG 3.37Å; F84-L101 HydrophobicContact CD1-CD1 3.58Å; F84-L101 HydrophobicContact CD1-CD2 4.01Å; F84-L101 HydrophobicContact CD1-CG 3.81Å; F84-L101 HydrophobicContact CE1-CD1 4.11Å; F84-L101 HydrophobicContact CE1-CD2 3.63Å; F84-L101 HydrophobicContact CE1-CG 3.93Å; F84-L101 HydrophobicContact CG-CD1 4.36Å; F84-L176 HydrophobicContact CE2-CD2 4.27Å; F84-L176 HydrophobicContact CZ-CD2 3.83Å; F84-I196 HydrophobicContact CB-CG2 3.93Å; F84-I196 HydrophobicContact CD2-CG2 4.2Å; F84-L205 HydrophobicContact CB-CD1 3.74Å; F84-L205 HydrophobicContact CB-CG 4.4Å; F84-L205 HydrophobicContact CD1-CD1 4.19Å; F84-L205 HydrophobicContact CD1-CG 4.05Å; F84-L205 HydrophobicContact CD2-CD1 3.99Å; F84-L205 HydrophobicContact CD2-CD2 4.13Å; F84-L205 HydrophobicContact CD2-CG 3.79Å; F84-L205 HydrophobicContact CE1-CG 4.25Å; F84-L205 HydrophobicContact CE2-CD2 4.22Å; F84-L205 HydrophobicContact CE2-CG 4.01Å; F84-L205 HydrophobicContact CG-CD1 3.69Å; F84-L205 HydrophobicContact CG-CG 3.79Å; F84-L205 HydrophobicContact CZ-CG 4.22Å; F84-V208 HydrophobicContact CZ-CB 4.31Å; F84-V208 HydrophobicContact CZ-CG1 3.79Å; F84-I209 HydrophobicContact CE2-CG2 3.61Å; F84-I209 HydrophobicContact CZ-CG2 4.19Å
85	D	98.5	Very high	97.2	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.091	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	127	-170.6	-87.7	-47.5	0	0	0	109.5	D83 T87 S89 T100 L101	D83-D85 PolarHBondContact OD2-N 2.84Å; D85-T87 PolarHBondContact O-N 2.82Å; D85-S89 WeakPolarHBondContact CA-OG 3.16Å; D85-T100 HydrophobicContact CB-CG2 4.39Å; D85-T100 WeakPolarHBondContact OD1-CA 3.48Å; D85-L101 PolarHBondContact OD1-N 2.73Å; D85-L101 WeakPolarHBondContact OD2-CB 3.46Å; D85-L101 WeakPolarHBondContact OD2-CG 3.45Å; D85-L101 PolarHBondContact OD2-N 3.49Å
86	M	98	Very high	97	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.039	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-7.2	-177.9	-34.6	-66.5	96.7	0	0	115.1	F84 S89 F91 T100 R177 D272 N296	F84-M86 PolarHBondContact O-N 3.45Å; M86-S89 CarbonylContact C-O 3.57Å; M86-S89 WeakPolarHBondContact CA-O 3.2Å; M86-S89 PolarHBondContact N-OG 3.41Å; M86-F91 HydrophobicContact CB-CD2 4.47Å; M86-F91 HydrophobicContact CG-CD2 4.26Å; M86-F91 HydrophobicContact SD-CB 4.35Å; M86-F91 HydrophobicContact SD-CD2 3.8Å; M86-F91 HydrophobicContact SD-CG 4.48Å; M86-T100 HydrophobicContact CE-CG2 3.63Å; M86-T100 HydrophobicContact SD-CG2 4.27Å; M86-R177 PolarHBondContact O-NE 3.34Å; M86-R177 PolarHBondContact O-NH2 2.85Å; M86-D272 HydrophobicContact CB-CB 4.37Å; M86-D272 WeakPolarHBondContact CB-OD2 3.4Å; M86-N296 WeakPolarHBondContact CB-ND2 3.49Å; M86-N296 PolarHBondContact O-ND2 2.89Å
87	T	98.8	Very high	96.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-51.6	173	-66.2	0	0	0	0	112.6	D83 F84 D85 R177 L270 G271 D272 F294	D83-T87 HydrophobicContact CB-CG2 4.31Å; F84-T87 PolarHBondContact O-N 2.81Å; D85-T87 PolarHBondContact O-N 2.82Å; T87-R177 WeakPolarHBondContact O-CD 3.36Å; T87-R177 PolarHBondContact O-NE 2.9Å; T87-L270 HydrophobicContact CG2-CB 3.8Å; T87-G271 VanDerWaalsContact OG1-C 3.22Å; T87-G271 WeakPolarHBondContact OG1-CA 3.37Å; T87-D272 WeakPolarHBondContact OG1-CB 3.12Å; T87-D272 PolarHBondContact OG1-N 3.47Å; T87-D272 PolarHBondContact OG1-OD1 2.91Å; T87-F294 HydrophobicContact CG2-CD2 3.93Å; T87-F294 HydrophobicContact CG2-CE2 3.97Å
88	I	98.9	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-38.8	173.1	-63	-65.6	0	0	0	109.7	T82 D83 F84 L176 R177 F183 F184 L270 L320	T82-I88 HydrophobicContact CG2-CD1 4.48Å; T82-I88 HydrophobicContact CG2-CG1 4.36Å; D83-I88 WeakPolarHBondContact O-CG1 3.31Å; F84-I88 HydrophobicContact CD2-CB 4.07Å; F84-I88 HydrophobicContact CD2-CG2 4.23Å; F84-I88 HydrophobicContact CE2-CB 4.37Å; F84-I88 HydrophobicContact CE2-CG2 4.08Å; F84-I88 PolarHBondContact O-N 3.36Å; I88-L176 HydrophobicContact CG2-CD2 4.27Å; I88-R177 WeakPolarHBondContact O-CB 3.44Å; I88-R177 WeakPolarHBondContact O-CG 3.34Å; I88-R177 PolarHBondContact O-N 2.95Å; I88-F183 HydrophobicContact CD1-CE1 4.24Å; I88-F184 HydrophobicContact CD1-CZ 4.42Å; I88-F184 HydrophobicContact CG2-CE2 3.89Å; I88-F184 HydrophobicContact CG2-CZ 4Å; I88-L270 HydrophobicContact CD1-CD1 4.46Å; I88-L320 HydrophobicContact CD1-CD1 4.23Å; I88-L320 HydrophobicContact CD1-CD2 4.42Å
89	S	98.8	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-76.2	153.1	165.6	69.3	0	0	0	0	111	F84 D85 M86 V175	F84-S89 PolarHBondContact O-N 2.8Å; F84-S89 PolarHBondContact O-OG 3.37Å; D85-S89 WeakPolarHBondContact CA-OG 3.16Å; M86-S89 CarbonylContact C-O 3.57Å; M86-S89 WeakPolarHBondContact CA-O 3.2Å; M86-S89 PolarHBondContact N-OG 3.41Å; S89-V175 WeakPolarHBondContact CA-O 3.17Å
90	K	98.6	Very high	96.6	Very high	36 Å²	36	32.7 Å²	32.7	16%	0.157	18%	0.183	C	C	.	.			trans	-69.4	150.4	176.5	-71	-167.7	176.3	-171.3	0	110.6	V93 C98 V175 L176 R177 E318	K90-V93 HydrophobicContact CD-CG2 3.68Å; K90-C98 VanDerWaalsContact O-CB 3.28Å; K90-C98 WeakPolarHBondContact O-CB 3.43Å; K90-V175 HydrophobicContact CD-CB 4.26Å; K90-V175 HydrophobicContact CD-CG1 3.79Å; K90-V175 HydrophobicContact CG-CB 4.48Å; K90-V175 HydrophobicContact CG-CG1 4.32Å; K90-V175 PolarHBondContact N-O 2.87Å; K90-L176 WeakPolarHBondContact CE-O 3.3Å; K90-R177 HydrophobicContact CG-CG 4.04Å; K90-E318 WeakPolarHBondContact CA-OE2 3.28Å; K90-E318 WeakPolarHBondContact CB-OE2 3.33Å; K90-E318 HydrophobicContact CD-CB 4.2Å; K90-E318 WeakPolarHBondContact CE-O 3.48Å; K90-E318 HydrophobicContact CG-CB 4.38Å; K90-E318 WeakPolarHBondContact CG-OE2 3.49Å
91	F	97.5	Very high	96.6	Very high	32 Å²	32	32.6 Å²	32.6	14%	0.14	18%	0.183	C	C	.	.	S	Bend	trans	-82.2	-41.2	169.2	175.2	-97.3	0	0	0	111.3	M86 R97 C98 N296 D297 E318	M86-F91 HydrophobicContact CB-CD2 4.47Å; M86-F91 HydrophobicContact CG-CD2 4.26Å; M86-F91 HydrophobicContact SD-CB 4.35Å; M86-F91 HydrophobicContact SD-CD2 3.8Å; M86-F91 HydrophobicContact SD-CG 4.48Å; F91-R97 CarbonylContact O-C 3.55Å; F91-R97 WeakPolarHBondContact O-CA 3.26Å; F91-C98 PolarHBondContact O-N 3.08Å; F91-N296 HydrophobicContact CB-CB 3.68Å; F91-N296 HydrophobicContact CD1-CB 3.99Å; F91-N296 HydrophobicContact CD2-CB 3.53Å; F91-N296 HydrophobicContact CE1-CB 4.49Å; F91-N296 HydrophobicContact CE2-CB 4.08Å; F91-N296 HydrophobicContact CG-CB 3.47Å; F91-N296 VanDerWaalsContact CG-CB 3.47Å; F91-D297 HydrophobicContact CE2-CB 4.23Å; F91-D297 HydrophobicContact CZ-CB 3.8Å; F91-E318 WeakPolarHBondContact CB-OE1 3.47Å; F91-E318 PolarHBondContact N-OE1 2.97Å; F91-E318 PolarHBondContact N-OE2 2.89Å
92	A	95.5	Very high	96.6	Very high	20 Å²	20	33.5 Å²	33.5	17%	0.165	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.3	177.9	0	0	0	0	0	113.5	K96 E318	A92-K96 CarbonylContact C-O 3.59Å; A92-K96 WeakPolarHBondContact CA-O 3.45Å; A92-K96 WeakPolarHBondContact CB-O 3.33Å; A92-E318 PolarHBondContact N-OE1 3.33Å
93	V	94.8	Very high	96.5	Very high	50 Å²	50	35.1 Å²	35.1	30%	0.303	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123	169	173.1	0	0	0	0	108.1	K90 G95 K96 V175	K90-V93 HydrophobicContact CD-CG2 3.68Å; V93-G95 PolarHBondContact O-N 3.08Å; V93-K96 PolarHBondContact N-O 3.45Å; V93-K96 PolarHBondContact O-N 3.43Å; V93-V175 HydrophobicContact CG2-CB 4.21Å; V93-V175 HydrophobicContact CG2-CG1 4.36Å; V93-V175 HydrophobicContact CG2-CG2 4.17Å
94	N	90.6	Very high	96.4	Very high	169 Å²	169	35 Å²	35	90%	0.904	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	37.5	-178.5	-57.9	-33.6	0	0	0	113.4	K96	N94-K96 PolarHBondContact O-N 3.04Å
95	G	87.1	Confident	96.4	Very high	78 Å²	78	35.1 Å²	35.1	80%	0.804	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-5.4	-178.8	0	0	0	0	0	115.3	V93	V93-G95 PolarHBondContact O-N 3.08Å
96	K	93.1	Very high	96.2	Very high	131 Å²	131	35.1 Å²	35.1	57%	0.57	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.4	170.5	-174.3	-172.7	176.1	-168	0	109.1	A92 V93 N94 C98 D173	A92-K96 CarbonylContact C-O 3.59Å; A92-K96 WeakPolarHBondContact CA-O 3.45Å; A92-K96 WeakPolarHBondContact CB-O 3.33Å; V93-K96 PolarHBondContact N-O 3.45Å; V93-K96 PolarHBondContact O-N 3.43Å; N94-K96 PolarHBondContact O-N 3.04Å; K96-C98 PolarHBondContact O-N 3.06Å; K96-D173 IonicContact NZ-OD2 2.69Å; K96-D173 PolarHBondContact NZ-OD2 3.24Å
97	R	94.3	Very high	96	Very high	90 Å²	90	39.9 Å²	39.9	34%	0.34	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.2	175.9	-171.1	171.6	179.6	167.9	0.4	110.5	F91	F91-R97 CarbonylContact O-C 3.55Å; F91-R97 WeakPolarHBondContact O-CA 3.26Å
98	C	96.4	Very high	95.7	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.047	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-77.1	149.6	172.9	-78.6	0	0	0	0	110.6	K90 F91 K96	K90-C98 VanDerWaalsContact O-CB 3.28Å; K90-C98 WeakPolarHBondContact O-CB 3.43Å; F91-C98 PolarHBondContact O-N 3.08Å; K96-C98 PolarHBondContact O-N 3.06Å
99	P	96.9	Very high	95.5	Very high	13 Å²	13	48 Å²	48	8%	0.084	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71	141	177.7	30.4	-34.4	0	0	0	111	N103 V104 D173 L174	P99-N103 HydrophobicContact CB-CB 3.63Å; P99-V104 HydrophobicContact CB-CG2 4.26Å; P99-V104 HydrophobicContact CG-CG2 4.22Å; P99-D173 VanDerWaalsContact CD-O 3.3Å; P99-D173 WeakPolarHBondContact CD-O 3.19Å; P99-D173 HydrophobicContact CG-CB 4.32Å; P99-L174 HydrophobicContact CG-CB 3.92Å
100	T	97.7	Very high	95.3	Very high	26 Å²	26	51 Å²	51	16%	0.16	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70.5	171.6	159.2	64.7	0	0	0	0	110.7	D85 M86 H102 N103 V104	D85-T100 HydrophobicContact CB-CG2 4.39Å; D85-T100 WeakPolarHBondContact OD1-CA 3.48Å; M86-T100 HydrophobicContact CE-CG2 3.63Å; M86-T100 HydrophobicContact SD-CG2 4.27Å; T100-H102 VanDerWaalsContact C-N 3.26Å; T100-H102 PolarHBondContact O-N 3.46Å; T100-N103 CarbonylContact O-C 3.53Å; T100-N103 WeakPolarHBondContact O-CA 3.35Å; T100-N103 PolarHBondContact O-N 3.28Å; T100-N103 PolarHBondContact OG1-N 3.19Å; T100-N103 PolarHBondContact OG1-OD1 3.34Å; T100-V104 PolarHBondContact O-N 3.17Å
101	L	98.4	Very high	95.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54	-40.3	172.6	-67.5	169.5	0	0	0	113.1	F84 D85 V104 L174 L201 V204 L205 V208	F84-L101 HydrophobicContact CD1-CD1 3.58Å; F84-L101 HydrophobicContact CD1-CD2 4.01Å; F84-L101 HydrophobicContact CD1-CG 3.81Å; F84-L101 HydrophobicContact CE1-CD1 4.11Å; F84-L101 HydrophobicContact CE1-CD2 3.63Å; F84-L101 HydrophobicContact CE1-CG 3.93Å; F84-L101 HydrophobicContact CG-CD1 4.36Å; D85-L101 PolarHBondContact OD1-N 2.73Å; D85-L101 WeakPolarHBondContact OD2-CB 3.46Å; D85-L101 WeakPolarHBondContact OD2-CG 3.45Å; D85-L101 PolarHBondContact OD2-N 3.49Å; L101-V104 PolarHBondContact O-N 3.48Å; L101-L174 HydrophobicContact CD2-CD1 4.26Å; L101-L201 HydrophobicContact CB-CB 4.34Å; L101-V204 HydrophobicContact CD2-CB 4.09Å; L101-V204 HydrophobicContact CD2-CG1 3.8Å; L101-L205 HydrophobicContact CD1-CB 3.68Å; L101-L205 HydrophobicContact CD1-CD1 3.91Å; L101-L205 HydrophobicContact CD1-CG 4.03Å; L101-L205 HydrophobicContact CD2-CB 3.98Å; L101-L205 HydrophobicContact CG-CB 4.5Å; L101-V208 HydrophobicContact CD2-CG2 4.39Å
102	H	97.6	Very high	95.2	Very high	18 Å²	18	51.4 Å²	51.4	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-44.8	171.7	-74.8	78	0	0	0	111.7	T100 V104 I105 D106 Y148 H152	T100-H102 VanDerWaalsContact C-N 3.26Å; T100-H102 PolarHBondContact O-N 3.46Å; H102-V104 PolarHBondContact O-N 3.1Å; H102-I105 WeakPolarHBondContact O-CA 3.29Å; H102-I105 WeakPolarHBondContact O-CB 3.07Å; H102-I105 PolarHBondContact O-N 3.23Å; H102-D106 PolarHBondContact O-N 2.79Å; H102-Y148 AromaticContact CE1-CE1 3.85Å; H102-H152 AromaticContact CE1-NE2 3.98Å; H102-H152 AromaticContact NE2-CD2 3.65Å; H102-H152 AromaticContact NE2-NE2 3.12Å; H102-H152 PolarHBondContact NE2-NE2 2.79Å; H102-H152 VanDerWaalsContact NE2-NE2 3.12Å
103	N	96.9	Very high	95.3	Very high	35 Å²	35	56.1 Å²	56.1	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-21.3	-178.4	-62.2	156.3	0	0	0	113.7	P99 T100 I105 D106 N107	P99-N103 HydrophobicContact CB-CB 3.63Å; T100-N103 CarbonylContact O-C 3.53Å; T100-N103 WeakPolarHBondContact O-CA 3.35Å; T100-N103 PolarHBondContact O-N 3.28Å; T100-N103 PolarHBondContact OG1-N 3.19Å; T100-N103 PolarHBondContact OG1-OD1 3.34Å; N103-I105 VanDerWaalsContact C-N 3.27Å; N103-D106 PolarHBondContact ND2-OD2 2.78Å; N103-N107 VanDerWaalsContact O-CB 3.3Å; N103-N107 WeakPolarHBondContact O-CB 3.47Å; N103-N107 VanDerWaalsContact O-CG 3.31Å; N103-N107 PolarHBondContact O-N 2.95Å; N103-N107 VanDerWaalsContact O-N 3.11Å; N103-N107 PolarHBondContact O-ND2 3.13Å
104	V	98	Very high	95.4	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-42.9	167.8	168.2	0	0	0	0	110.2	P99 T100 L101 H102 C108 V168 V169 L174 V204	P99-V104 HydrophobicContact CB-CG2 4.26Å; P99-V104 HydrophobicContact CG-CG2 4.22Å; T100-V104 PolarHBondContact O-N 3.17Å; L101-V104 PolarHBondContact O-N 3.48Å; H102-V104 PolarHBondContact O-N 3.1Å; V104-C108 WeakPolarHBondContact O-CB 3.39Å; V104-V168 HydrophobicContact CG1-CG1 3.86Å; V104-V169 HydrophobicContact CG1-CG2 4.26Å; V104-L174 HydrophobicContact CG2-CB 3.91Å; V104-L174 HydrophobicContact CG2-CD1 3.69Å; V104-L174 HydrophobicContact CG2-CG 4.45Å; V104-V204 HydrophobicContact CB-CG1 4.05Å; V104-V204 HydrophobicContact CG1-CG1 3.81Å
105	I	97.7	Very high	95.7	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-76	-49	175.9	-59.1	-56.2	0	0	0	111.2	H102 N103 N107 C108 V111 L155 L160 L165 V168 L201 V204 M226	H102-I105 WeakPolarHBondContact O-CA 3.29Å; H102-I105 WeakPolarHBondContact O-CB 3.07Å; H102-I105 PolarHBondContact O-N 3.23Å; N103-I105 VanDerWaalsContact C-N 3.27Å; I105-N107 PolarHBondContact O-N 3.26Å; I105-N107 VanDerWaalsContact O-N 3.12Å; I105-C108 PolarHBondContact O-N 3.38Å; I105-C108 PolarHBondContact O-SG 3.45Å; I105-V111 HydrophobicContact CG2-CG2 4.14Å; I105-V111 WeakPolarHBondContact O-CG2 3.43Å; I105-L155 HydrophobicContact CG2-CD1 4.22Å; I105-L155 HydrophobicContact CG2-CD2 3.76Å; I105-L160 HydrophobicContact CG2-CD1 3.44Å; I105-L160 VanDerWaalsContact CG2-CD1 3.44Å; I105-L165 HydrophobicContact CD1-CD2 3.79Å; I105-V168 HydrophobicContact CD1-CG1 3.98Å; I105-L201 HydrophobicContact CB-CD1 4.19Å; I105-L201 HydrophobicContact CG1-CD1 3.53Å; I105-V204 HydrophobicContact CD1-CG2 3.77Å; I105-V204 HydrophobicContact CG1-CG2 3.84Å; I105-M226 HydrophobicContact CG1-CE 4.23Å
106	D	94.7	Very high	96.2	Very high	18 Å²	18	50.1 Å²	50.1	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-39.3	-176.3	-56.2	-24.9	0	0	0	111.5	H102 N103 K116 L119	H102-D106 PolarHBondContact O-N 2.79Å; N103-D106 PolarHBondContact ND2-OD2 2.78Å; D106-K116 VanDerWaalsContact O-CE 3.29Å; D106-K116 WeakPolarHBondContact O-CE 3.43Å; D106-K116 VanDerWaalsContact O-CG 3.28Å; D106-K116 WeakPolarHBondContact O-CG 3.23Å; D106-L119 HydrophobicContact CB-CD1 4.14Å
107	N	93	Very high	96.4	Very high	108 Å²	108	48.5 Å²	48.5	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.2	-176	-63.4	-42.6	0	0	0	114	N103 I105	N103-N107 VanDerWaalsContact O-CB 3.3Å; N103-N107 WeakPolarHBondContact O-CB 3.47Å; N103-N107 VanDerWaalsContact O-CG 3.31Å; N103-N107 PolarHBondContact O-N 2.95Å; N103-N107 VanDerWaalsContact O-N 3.11Å; N103-N107 PolarHBondContact O-ND2 3.13Å; I105-N107 PolarHBondContact O-N 3.26Å; I105-N107 VanDerWaalsContact O-N 3.12Å
108	C	94.2	Very high	96.5	Very high	14 Å²	14	47.8 Å²	47.8	10%	0.095	24%	0.237	C	C	.	.	S	Bend	trans	-73.3	167.2	-174.3	84.1	0	0	0	0	112.8	V104 I105 L110 V111 K116 V168	V104-C108 WeakPolarHBondContact O-CB 3.39Å; I105-C108 PolarHBondContact O-N 3.38Å; I105-C108 PolarHBondContact O-SG 3.45Å; C108-L110 PolarHBondContact O-N 2.89Å; C108-L110 PolarHBondContact SG-N 2.91Å; C108-L110 VanDerWaalsContact SG-N 3.43Å; C108-V111 PolarHBondContact O-N 2.81Å; C108-K116 WeakPolarHBondContact O-CE 3.48Å; C108-K116 PolarHBondContact O-NZ 2.9Å; C108-V168 HydrophobicContact CB-CB 4.35Å; C108-V168 HydrophobicContact CB-CG1 3.51Å; C108-V168 HydrophobicContact CB-CG2 4Å
109	K	94.4	Very high	96.5	Very high	156 Å²	156	48 Å²	48	68%	0.678	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.9	-179.4	-62.8	171.1	-172.9	151.3	0	113.5	V111 E171	K109-V111 VanDerWaalsContact C-N 3.31Å; K109-E171 WeakPolarHBondContact CE-OE2 3.39Å; K109-E171 IonicContact NZ-OE1 2.81Å; K109-E171 PolarHBondContact NZ-OE1 3.32Å; K109-E171 IonicContact NZ-OE2 2.84Å; K109-E171 PolarHBondContact NZ-OE2 3.14Å
110	L	94.4	Very high	96.4	Very high	62 Å²	62	50.1 Å²	50.1	33%	0.325	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.3	179.3	-51.6	178.6	0	0	0	112.5	C108 L160 K164 V168	C108-L110 PolarHBondContact O-N 2.89Å; C108-L110 PolarHBondContact SG-N 2.91Å; C108-L110 VanDerWaalsContact SG-N 3.43Å; L110-L160 HydrophobicContact CB-CD2 3.63Å; L110-L160 HydrophobicContact CD1-CD2 4.22Å; L110-K164 HydrophobicContact CD1-CB 3.71Å; L110-K164 HydrophobicContact CD1-CG 4.39Å; L110-V168 HydrophobicContact CD1-CG2 3.71Å; L110-V168 HydrophobicContact CG-CG2 4.16Å
111	V	96.6	Very high	96.4	Very high	3 Å²	3	55 Å²	55	2%	0.018	27%	0.269	C	S	.	.	S	Bend	trans	-95.3	126.4	178.7	-179.7	0	0	0	0	109.2	I105 C108 K109 C115 K116 L119 Q158 L160	I105-V111 HydrophobicContact CG2-CG2 4.14Å; I105-V111 WeakPolarHBondContact O-CG2 3.43Å; C108-V111 PolarHBondContact O-N 2.81Å; K109-V111 VanDerWaalsContact C-N 3.31Å; V111-C115 HydrophobicContact CG1-CB 3.72Å; V111-K116 HydrophobicContact CB-CG 4.43Å; V111-K116 HydrophobicContact CG1-CG 3.78Å; V111-K116 WeakPolarHBondContact O-CE 3.46Å; V111-L119 HydrophobicContact CG1-CD1 4.25Å; V111-Q158 HydrophobicContact CG1-CG 4.22Å; V111-Q158 HydrophobicContact CG2-CG 4.31Å; V111-L160 HydrophobicContact CG2-CD2 4.33Å
112	T	97.4	Very high	96.4	Very high	74 Å²	74	56.1 Å²	56.1	45%	0.454	28%	0.275	S	S	.	.			trans	-66.2	149.6	178.2	58.3	0	0	0	0	111.6	E114 C115 K116 Q158	T112-E114 PolarHBondContact O-N 2.9Å; T112-C115 WeakPolarHBondContact O-CB 3.48Å; T112-C115 PolarHBondContact O-N 3.4Å; T112-C115 WeakPolarHBondContact OG1-CB 3.4Å; T112-C115 PolarHBondContact OG1-N 2.88Å; T112-K116 WeakPolarHBondContact O-CG 3.46Å; T112-K116 PolarHBondContact O-N 2.96Å; T112-Q158 PolarHBondContact OG1-OE1 2.63Å
113	E	96.7	Very high	96.2	Very high	119 Å²	119	59.2 Å²	59.2	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-57.9	-34.6	177.5	-70.7	-55.7	129.8	0	0	112.7	K116 Q117	E113-K116 PolarHBondContact O-N 2.97Å; E113-K116 WeakPolarHBondContact OE1-CD 3.44Å; E113-K116 IonicContact OE1-NZ 2.63Å; E113-K116 PolarHBondContact OE1-NZ 3.11Å; E113-Q117 WeakPolarHBondContact O-CG 3.28Å; E113-Q117 PolarHBondContact O-N 3.26Å
114	E	97.3	Very high	96.1	Very high	127 Å²	127	62.8 Å²	62.8	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-60.3	-46.7	173.3	-171.2	-166.7	150	0	0	111.5	T112 Q117 K118	T112-E114 PolarHBondContact O-N 2.9Å; E114-Q117 PolarHBondContact O-N 3.08Å; E114-K118 PolarHBondContact O-N 3.31Å; E114-K118 VanDerWaalsContact O-N 3.12Å; E114-K118 WeakPolarHBondContact OE1-CE 3.39Å; E114-K118 IonicContact OE1-NZ 2.65Å; E114-K118 PolarHBondContact OE1-NZ 2.95Å
115	C	97.4	Very high	96	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-40.2	177.3	-173.6	0	0	0	0	111.6	V111 T112 Q117 K118 L119 Q158	V111-C115 HydrophobicContact CG1-CB 3.72Å; T112-C115 WeakPolarHBondContact O-CB 3.48Å; T112-C115 PolarHBondContact O-N 3.4Å; T112-C115 WeakPolarHBondContact OG1-CB 3.4Å; T112-C115 PolarHBondContact OG1-N 2.88Å; C115-Q117 VanDerWaalsContact C-N 3.28Å; C115-Q117 PolarHBondContact O-N 2.93Å; C115-K118 PolarHBondContact O-N 3.39Å; C115-K118 VanDerWaalsContact O-N 3.12Å; C115-L119 WeakPolarHBondContact O-CG 3.4Å; C115-L119 PolarHBondContact O-N 2.94Å; C115-Q158 HydrophobicContact CB-CG 4.25Å
116	K	96.9	Very high	96	Very high	41 Å²	41	67.6 Å²	67.6	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-42.2	174.6	-64.9	-173.2	-171	162.7	0	112	D106 C108 V111 T112 E113 L119 L120	D106-K116 VanDerWaalsContact O-CE 3.29Å; D106-K116 WeakPolarHBondContact O-CE 3.43Å; D106-K116 VanDerWaalsContact O-CG 3.28Å; D106-K116 WeakPolarHBondContact O-CG 3.23Å; C108-K116 WeakPolarHBondContact O-CE 3.48Å; C108-K116 PolarHBondContact O-NZ 2.9Å; V111-K116 HydrophobicContact CB-CG 4.43Å; V111-K116 HydrophobicContact CG1-CG 3.78Å; V111-K116 WeakPolarHBondContact O-CE 3.46Å; T112-K116 WeakPolarHBondContact O-CG 3.46Å; T112-K116 PolarHBondContact O-N 2.96Å; E113-K116 PolarHBondContact O-N 2.97Å; E113-K116 WeakPolarHBondContact OE1-CD 3.44Å; E113-K116 IonicContact OE1-NZ 2.63Å; E113-K116 PolarHBondContact OE1-NZ 3.11Å; K116-L119 PolarHBondContact O-N 2.79Å; K116-L120 VanDerWaalsContact O-CB 3.32Å; K116-L120 WeakPolarHBondContact O-CB 3.49Å; K116-L120 PolarHBondContact O-N 3.03Å
117	Q	96.8	Very high	95.8	Very high	98 Å²	98	68.9 Å²	68.9	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-41	176.1	-66.3	-56.5	-36.4	0	0	112.2	E113 E114 C115 L120 Q121	E113-Q117 WeakPolarHBondContact O-CG 3.28Å; E113-Q117 PolarHBondContact O-N 3.26Å; E114-Q117 PolarHBondContact O-N 3.08Å; C115-Q117 VanDerWaalsContact C-N 3.28Å; C115-Q117 PolarHBondContact O-N 2.93Å; Q117-L120 PolarHBondContact O-N 3Å; Q117-Q121 VanDerWaalsContact O-CG 3.27Å; Q117-Q121 WeakPolarHBondContact O-CG 3.47Å; Q117-Q121 PolarHBondContact O-N 2.83Å
118	K	97.8	Very high	95.7	Very high	75 Å²	75	67 Å²	67	33%	0.326	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-45.5	175.2	-67.9	176.1	-173.5	166.7	0	111.7	E114 C115 L120 Q121 L122 L154	E114-K118 PolarHBondContact O-N 3.31Å; E114-K118 VanDerWaalsContact O-N 3.12Å; E114-K118 WeakPolarHBondContact OE1-CE 3.39Å; E114-K118 IonicContact OE1-NZ 2.65Å; E114-K118 PolarHBondContact OE1-NZ 2.95Å; C115-K118 PolarHBondContact O-N 3.39Å; C115-K118 VanDerWaalsContact O-N 3.12Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 2.84Å; K118-Q121 WeakPolarHBondContact O-CB 3.27Å; K118-Q121 PolarHBondContact O-N 3.26Å; K118-L122 WeakPolarHBondContact O-CG 3.21Å; K118-L122 PolarHBondContact O-N 2.8Å; K118-L154 HydrophobicContact CB-CD1 3.77Å; K118-L154 HydrophobicContact CB-CD2 4.39Å; K118-L154 HydrophobicContact CD-CD2 3.84Å
119	L	96.4	Very high	95.7	Very high	10 Å²	10	67.9 Å²	67.9	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-42	176.7	-70.1	163.3	0	0	0	111.5	D106 V111 C115 K116 Q121 L122 R123 S151 L154 L155	D106-L119 HydrophobicContact CB-CD1 4.14Å; V111-L119 HydrophobicContact CG1-CD1 4.25Å; C115-L119 WeakPolarHBondContact O-CG 3.4Å; C115-L119 PolarHBondContact O-N 2.94Å; K116-L119 PolarHBondContact O-N 2.79Å; L119-Q121 PolarHBondContact O-N 3.39Å; L119-L122 WeakPolarHBondContact O-CB 3.43Å; L119-L122 PolarHBondContact O-N 3.31Å; L119-R123 PolarHBondContact O-N 3.1Å; L119-S151 WeakPolarHBondContact CD2-OG 3.35Å; L119-L154 HydrophobicContact CD2-CB 4.25Å; L119-L154 HydrophobicContact CD2-CD1 3.95Å; L119-L154 HydrophobicContact CG-CD1 4.14Å; L119-L155 HydrophobicContact CD1-CD2 4.13Å
120	L	94.7	Very high	95.5	Very high	59 Å²	59	62.1 Å²	62.1	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-41.4	175.3	-176.6	61.7	0	0	0	112.1	K116 Q117 K118 R123 H124	K116-L120 VanDerWaalsContact O-CB 3.32Å; K116-L120 WeakPolarHBondContact O-CB 3.49Å; K116-L120 PolarHBondContact O-N 3.03Å; Q117-L120 PolarHBondContact O-N 3Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 2.84Å; L120-R123 PolarHBondContact O-N 2.76Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.33Å; L120-H124 PolarHBondContact O-CD2 2.83Å; L120-H124 PolarHBondContact O-N 3.33Å
121	Q	97	Very high	95	Very high	129 Å²	129	61 Å²	61	60%	0.603	29%	0.291	S	S	*	.	H	α-helix	trans	-63.6	-42.1	175.1	-72.9	171.5	12.8	0	0	112.1	Q117 K118 L119 H124 K125	Q117-Q121 VanDerWaalsContact O-CG 3.27Å; Q117-Q121 WeakPolarHBondContact O-CG 3.47Å; Q117-Q121 PolarHBondContact O-N 2.83Å; K118-Q121 WeakPolarHBondContact O-CB 3.27Å; K118-Q121 PolarHBondContact O-N 3.26Å; L119-Q121 PolarHBondContact O-N 3.39Å; Q121-H124 PolarHBondContact O-N 3.03Å; Q121-K125 PolarHBondContact O-N 3.33Å; Q121-K125 VanDerWaalsContact O-N 3.09Å
122	L	97.5	Very high	94.5	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-49.5	173.1	-67.4	176.3	0	0	0	110.2	K118 L119 H124 K125 Y126 K150 L154	K118-L122 WeakPolarHBondContact O-CG 3.21Å; K118-L122 PolarHBondContact O-N 2.8Å; L119-L122 WeakPolarHBondContact O-CB 3.43Å; L119-L122 PolarHBondContact O-N 3.31Å; L122-H124 VanDerWaalsContact C-N 3.35Å; L122-H124 PolarHBondContact O-N 3.01Å; L122-K125 PolarHBondContact O-N 3.44Å; L122-K125 VanDerWaalsContact O-N 3.08Å; L122-Y126 HydrophobicContact CB-CD2 4.3Å; L122-Y126 HydrophobicContact CD2-CD2 4.39Å; L122-Y126 HydrophobicContact CD2-CE2 3.81Å; L122-Y126 WeakPolarHBondContact O-CD2 3.25Å; L122-Y126 PolarHBondContact O-N 3.32Å; L122-K150 HydrophobicContact CD1-CB 3.76Å; L122-K150 HydrophobicContact CD2-CB 3.99Å; L122-K150 HydrophobicContact CD2-CD 3.73Å; L122-L154 HydrophobicContact CD1-CD1 3.68Å
123	R	93.8	Very high	93.7	Very high	83 Å²	83	62.2 Å²	62.2	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-57.4	-45.8	177.9	-171	-172.8	72.2	116	5.2	112.2	L119 L120 K125 Y126 Y127 W147	L119-R123 PolarHBondContact O-N 3.1Å; L120-R123 PolarHBondContact O-N 2.76Å; R123-K125 PolarHBondContact O-N 3.25Å; R123-Y126 PolarHBondContact O-N 3.48Å; R123-Y127 WeakPolarHBondContact O-CB 3.28Å; R123-Y127 PolarHBondContact O-N 3.11Å; R123-W147 HydrophobicContact CB-CZ2 4.15Å; R123-W147 HydrophobicContact CG-CZ2 4.07Å
124	H	95.1	Very high	93.2	Very high	111 Å²	111	64.5 Å²	64.5	51%	0.514	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-30.8	178.2	-72.6	-178.2	0	0	0	113	L120 Q121 L122 P128	L120-H124 WeakPolarHBondContact CD1-NE2 3.33Å; L120-H124 PolarHBondContact O-CD2 2.83Å; L120-H124 PolarHBondContact O-N 3.33Å; Q121-H124 PolarHBondContact O-N 3.03Å; L122-H124 VanDerWaalsContact C-N 3.35Å; L122-H124 PolarHBondContact O-N 3.01Å; H124-P128 WeakPolarHBondContact O-CD 3.15Å; H124-P128 WeakPolarHBondContact O-CG 3.42Å
125	K	96.6	Very high	92.8	Very high	108 Å²	108	60.9 Å²	60.9	47%	0.47	29%	0.293	S	S	.	.	H	α-helix	trans	-77.8	-49.3	176.1	-178.6	-178.3	174.5	-165.7	0	112.4	Q121 L122 R123	Q121-K125 PolarHBondContact O-N 3.33Å; Q121-K125 VanDerWaalsContact O-N 3.09Å; L122-K125 PolarHBondContact O-N 3.44Å; L122-K125 VanDerWaalsContact O-N 3.08Å; R123-K125 PolarHBondContact O-N 3.25Å
126	Y	96.3	Very high	92.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-94.4	-31	-165.5	-67.7	-75.5	0	0	0	114.4	L122 R123 I129 E130 F143 E146 W147 K150	L122-Y126 HydrophobicContact CB-CD2 4.3Å; L122-Y126 HydrophobicContact CD2-CD2 4.39Å; L122-Y126 HydrophobicContact CD2-CE2 3.81Å; L122-Y126 WeakPolarHBondContact O-CD2 3.25Å; L122-Y126 PolarHBondContact O-N 3.32Å; R123-Y126 PolarHBondContact O-N 3.48Å; Y126-I129 HydrophobicContact CD1-CD1 4.45Å; Y126-I129 WeakPolarHBondContact O-CB 3.5Å; Y126-I129 PolarHBondContact O-N 3.01Å; Y126-I129 VanDerWaalsContact O-N 3.08Å; Y126-E130 PolarHBondContact O-N 3.21Å; Y126-F143 HydrophobicContact CD1-CB 4.11Å; Y126-F143 WeakPolarHBondContact CD1-O 3.44Å; Y126-F143 HydrophobicContact CE1-CB 4.32Å; Y126-F143 HydrophobicContact CE1-CD1 4.22Å; Y126-E146 HydrophobicContact CE1-CB 4.31Å; Y126-E146 WeakPolarHBondContact CE1-OE2 3.33Å; Y126-E146 WeakPolarHBondContact OH-CG 3.37Å; Y126-E146 PolarHBondContact OH-OE1 2.93Å; Y126-E146 VanDerWaalsContact OH-OE1 3.1Å; Y126-E146 PolarHBondContact OH-OE2 3.2Å; Y126-W147 VanDerWaalsContact CB-CE3 3.41Å; Y126-W147 HydrophobicContact CD1-CB 3.85Å; Y126-W147 HydrophobicContact CD1-CG 4.43Å; Y126-W147 HydrophobicContact CD2-CB 3.6Å; Y126-W147 AromaticContact CD2-CD1 3.6Å; Y126-W147 HydrophobicContact CD2-CD2 4.22Å; Y126-W147 AromaticContact CD2-CG 3.51Å; Y126-W147 HydrophobicContact CD2-CG 3.51Å; Y126-W147 HydrophobicContact CE1-CB 4.32Å; Y126-W147 HydrophobicContact CE2-CB 4.15Å; Y126-W147 HydrophobicContact CE2-CG 4.38Å; Y126-W147 HydrophobicContact CG-CB 3.48Å; Y126-W147 VanDerWaalsContact CG-CB 3.48Å; Y126-W147 AromaticContact CG-CD2 4Å; Y126-W147 HydrophobicContact CG-CD2 4Å; Y126-W147 HydrophobicContact CG-CE3 4.39Å; Y126-W147 AromaticContact CG-CG 3.58Å; Y126-W147 HydrophobicContact CG-CG 3.58Å; Y126-K150 PolarHBondContact OH-NZ 2.96Å; Y126-K150 VanDerWaalsContact OH-NZ 3.11Å
127	Y	91.8	Very high	92	Very high	45 Å²	45	65.4 Å²	65.4	18%	0.176	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-41	179.9	-177.3	-109.6	0	0	0	113.2	R123 I129 E130 I131 W147	R123-Y127 WeakPolarHBondContact O-CB 3.28Å; R123-Y127 PolarHBondContact O-N 3.11Å; Y127-I129 PolarHBondContact O-N 2.79Å; Y127-E130 WeakPolarHBondContact CD2-OE2 3.35Å; Y127-E130 WeakPolarHBondContact O-CB 3.47Å; Y127-E130 PolarHBondContact O-N 2.74Å; Y127-I131 HydrophobicContact CD1-CD1 4.02Å; Y127-I131 HydrophobicContact CD2-CG2 4.29Å; Y127-I131 HydrophobicContact CE1-CD1 3.62Å; Y127-I131 HydrophobicContact CE1-CG2 4.4Å; Y127-I131 HydrophobicContact CE2-CG2 3.82Å; Y127-I131 WeakPolarHBondContact O-CG1 3.26Å; Y127-I131 PolarHBondContact O-N 3.47Å; Y127-I131 VanDerWaalsContact O-N 3.11Å; Y127-W147 HydrophobicContact CD2-CH2 4.37Å
128	P	91.3	Very high	91.7	Very high	68 Å²	68	68.8 Å²	68.8	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-33.7	173.7	-25.6	36.4	0	0	0	113.5	H124 D132	H124-P128 WeakPolarHBondContact O-CD 3.15Å; H124-P128 WeakPolarHBondContact O-CG 3.42Å; P128-D132 WeakPolarHBondContact O-CB 3.44Å; P128-D132 PolarHBondContact O-N 3.13Å
129	I	93.3	Very high	91.5	Very high	32 Å²	32	70 Å²	70	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-71.5	-43.6	177.8	-57.5	172.5	0	0	0	110.2	Y126 Y127 I131 D132 L135 K140 F143	Y126-I129 HydrophobicContact CD1-CD1 4.45Å; Y126-I129 WeakPolarHBondContact O-CB 3.5Å; Y126-I129 PolarHBondContact O-N 3.01Å; Y126-I129 VanDerWaalsContact O-N 3.08Å; Y127-I129 PolarHBondContact O-N 2.79Å; I129-I131 VanDerWaalsContact C-N 3.32Å; I129-I131 PolarHBondContact O-N 2.81Å; I129-D132 WeakPolarHBondContact O-CB 3.23Å; I129-D132 PolarHBondContact O-N 3.33Å; I129-L135 HydrophobicContact CG2-CD1 3.81Å; I129-K140 HydrophobicContact CG2-CG 4.36Å; I129-K140 WeakPolarHBondContact O-CD 3.38Å; I129-K140 WeakPolarHBondContact O-CE 3.33Å; I129-F143 HydrophobicContact CD1-CD1 3.94Å; I129-F143 HydrophobicContact CD1-CE1 4.33Å; I129-F143 HydrophobicContact CD1-CG 4.18Å; I129-F143 HydrophobicContact CG2-CB 4.09Å; I129-F143 HydrophobicContact CG2-CD2 3.95Å; I129-F143 HydrophobicContact CG2-CG 4.04Å
130	E	90.1	Very high	91.4	Very high	36 Å²	36	70.2 Å²	70.2	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-54.1	-48.6	175.1	-175.7	-175	-177.4	0	0	111	Y126 Y127 D132 K140 M144 W147 V244 Y245	Y126-E130 PolarHBondContact O-N 3.21Å; Y127-E130 WeakPolarHBondContact CD2-OE2 3.35Å; Y127-E130 WeakPolarHBondContact O-CB 3.47Å; Y127-E130 PolarHBondContact O-N 2.74Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.98Å; E130-K140 WeakPolarHBondContact O-CE 3.35Å; E130-K140 PolarHBondContact O-NZ 3.33Å; E130-M144 HydrophobicContact CB-CE 3.94Å; E130-M144 HydrophobicContact CB-SD 3.89Å; E130-M144 HydrophobicContact CG-SD 3.96Å; E130-W147 VanDerWaalsContact OE2-CZ3 3.27Å; E130-W147 WeakPolarHBondContact OE2-CZ3 3.21Å; E130-V244 HydrophobicContact CG-CG1 4.22Å; E130-Y245 PolarHBondContact O-OH 2.8Å
131	I	84.9	Confident	91.3	Very high	37 Å²	37	71.3 Å²	71.3	19%	0.19	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.7	-175	72.5	-173.3	0	0	0	114	Y127 I129 P133 K298	Y127-I131 HydrophobicContact CD1-CD1 4.02Å; Y127-I131 HydrophobicContact CD2-CG2 4.29Å; Y127-I131 HydrophobicContact CE1-CD1 3.62Å; Y127-I131 HydrophobicContact CE1-CG2 4.4Å; Y127-I131 HydrophobicContact CE2-CG2 3.82Å; Y127-I131 WeakPolarHBondContact O-CG1 3.26Å; Y127-I131 PolarHBondContact O-N 3.47Å; Y127-I131 VanDerWaalsContact O-N 3.11Å; I129-I131 VanDerWaalsContact C-N 3.32Å; I129-I131 PolarHBondContact O-N 2.81Å; I131-P133 VanDerWaalsContact O-CD 3.32Å; I131-P133 WeakPolarHBondContact O-CD 3.41Å; I131-K298 HydrophobicContact CD1-CD 3.86Å; I131-K298 HydrophobicContact CG1-CD 4.31Å
132	D	84.8	Confident	91.3	Very high	48 Å²	48	68.8 Å²	68.8	26%	0.257	34%	0.34	S	S	.	.			trans	-67.8	115.9	-175.9	-166.8	-33.3	0	0	0	111	P128 I129 E130 H134 L135 K140	P128-D132 WeakPolarHBondContact O-CB 3.44Å; P128-D132 PolarHBondContact O-N 3.13Å; I129-D132 WeakPolarHBondContact O-CB 3.23Å; I129-D132 PolarHBondContact O-N 3.33Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.98Å; D132-H134 PolarHBondContact O-N 3.22Å; D132-H134 WeakPolarHBondContact OD1-CA 3.36Å; D132-H134 VanDerWaalsContact OD1-CB 3.31Å; D132-H134 WeakPolarHBondContact OD1-CB 3.13Å; D132-H134 IonicContact OD1-CD2 2.66Å; D132-H134 IonicContact OD1-CG 3.21Å; D132-H134 PolarHBondContact OD1-N 3.38Å; D132-L135 HydrophobicContact CB-CB 4.28Å; D132-L135 HydrophobicContact CB-CD1 3.97Å; D132-L135 HydrophobicContact CB-CG 4.08Å; D132-K140 WeakPolarHBondContact O-CE 3.33Å; D132-K140 PolarHBondContact O-NZ 3.34Å
133	P	81.6	Confident	91.3	Very high	55 Å²	55	71.5 Å²	71.5	36%	0.357	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.6	-179.7	30.1	-35	0	0	0	113.4	I131	I131-P133 VanDerWaalsContact O-CD 3.32Å; I131-P133 WeakPolarHBondContact O-CD 3.41Å
134	H	86.5	Confident	91.5	Very high	168 Å²	168	67.6 Å²	67.6	78%	0.778	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-15	-176.7	-57	-62.6	0	0	0	113.6	D132	D132-H134 PolarHBondContact O-N 3.22Å; D132-H134 WeakPolarHBondContact OD1-CA 3.36Å; D132-H134 VanDerWaalsContact OD1-CB 3.31Å; D132-H134 WeakPolarHBondContact OD1-CB 3.13Å; D132-H134 IonicContact OD1-CD2 2.66Å; D132-H134 IonicContact OD1-CG 3.21Å; D132-H134 PolarHBondContact OD1-N 3.38Å
135	L	88.9	Confident	91.5	Very high	51 Å²	51	65 Å²	65	27%	0.267	33%	0.328	S	S	.	.	S	Bend	trans	-93.9	137.1	174.7	-63.4	176.5	0	0	0	111	I129 D132 E139 K140	I129-L135 HydrophobicContact CG2-CD1 3.81Å; D132-L135 HydrophobicContact CB-CB 4.28Å; D132-L135 HydrophobicContact CB-CD1 3.97Å; D132-L135 HydrophobicContact CB-CG 4.08Å; L135-E139 HydrophobicContact CD2-CB 4.43Å; L135-K140 HydrophobicContact CB-CD 4.31Å; L135-K140 HydrophobicContact CB-CG 3.82Å; L135-K140 HydrophobicContact CD1-CG 4.31Å; L135-K140 VanDerWaalsContact O-CE 3.27Å; L135-K140 WeakPolarHBondContact O-CE 3.22Å
136	S	89.8	Confident	91.6	Very high	53 Å²	53	63.1 Å²	63.1	37%	0.371	32%	0.321	S	S	.	.			trans	-69.7	163.2	170.6	67.4	0	0	0	0	111.7	E138 E139 K140	S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact O-N 2.66Å; S136-E139 VanDerWaalsContact CB-OE2 3.28Å; S136-E139 WeakPolarHBondContact CB-OE2 3.4Å; S136-E139 PolarHBondContact N-OE2 3.44Å; S136-E139 PolarHBondContact O-N 3.07Å; S136-E139 WeakPolarHBondContact OG-CB 3.23Å; S136-E139 VanDerWaalsContact OG-CD 3.29Å; S136-E139 VanDerWaalsContact OG-CG 3.25Å; S136-E139 WeakPolarHBondContact OG-CG 3.15Å; S136-E139 PolarHBondContact OG-N 3.34Å; S136-E139 PolarHBondContact OG-OE2 3.4Å; S136-K140 VanDerWaalsContact O-CG 3.3Å; S136-K140 WeakPolarHBondContact O-CG 3.36Å; S136-K140 PolarHBondContact O-N 3.35Å; S136-K140 VanDerWaalsContact O-N 3.14Å
137	M	87.4	Confident	91.6	Very high	86 Å²	86	64.7 Å²	64.7	42%	0.424	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-37.8	174.7	-70.5	179.1	172.1	0	0	112	K140 Y141 Y245 M274	M137-K140 PolarHBondContact O-N 2.67Å; M137-Y141 PolarHBondContact O-N 3.33Å; M137-Y245 HydrophobicContact CB-CD1 4.47Å; M137-Y245 HydrophobicContact CG-CD1 4.05Å; M137-Y245 HydrophobicContact CG-CE1 4.36Å; M137-M274 HydrophobicContact CE-CB 3.47Å; M137-M274 VanDerWaalsContact CE-CB 3.47Å; M137-M274 WeakPolarHBondContact CE-O 3.38Å
138	E	90.1	Very high	91.9	Very high	169 Å²	169	64 Å²	64	79%	0.79	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-43.2	179.1	-172.2	177	179.8	0	0	111.5	S136 K140 Y141 P142	S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact O-N 2.66Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 2.97Å; E138-Y141 WeakPolarHBondContact O-CB 3.42Å; E138-Y141 PolarHBondContact O-N 2.78Å; E138-P142 WeakPolarHBondContact O-CD 3.34Å
139	E	94	Very high	92.2	Very high	100 Å²	100	67.4 Å²	67.4	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-35	176.6	-71.6	164	129.8	0	0	112.4	L135 S136 F143	L135-E139 HydrophobicContact CD2-CB 4.43Å; S136-E139 VanDerWaalsContact CB-OE2 3.28Å; S136-E139 WeakPolarHBondContact CB-OE2 3.4Å; S136-E139 PolarHBondContact N-OE2 3.44Å; S136-E139 PolarHBondContact O-N 3.07Å; S136-E139 WeakPolarHBondContact OG-CB 3.23Å; S136-E139 VanDerWaalsContact OG-CD 3.29Å; S136-E139 VanDerWaalsContact OG-CG 3.25Å; S136-E139 WeakPolarHBondContact OG-CG 3.15Å; S136-E139 PolarHBondContact OG-N 3.34Å; S136-E139 PolarHBondContact OG-OE2 3.4Å; E139-F143 VanDerWaalsContact O-CD2 3.26Å; E139-F143 WeakPolarHBondContact O-CD2 3.28Å; E139-F143 WeakPolarHBondContact O-CE2 3.25Å
140	K	93.6	Very high	92.4	Very high	15 Å²	15	69.3 Å²	69.3	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-77.1	-26.9	178.7	-66.5	175.7	-175.4	-175.1	0	113.5	I129 E130 D132 L135 S136 M137 E138 F143 M144 Y245	I129-K140 HydrophobicContact CG2-CG 4.36Å; I129-K140 WeakPolarHBondContact O-CD 3.38Å; I129-K140 WeakPolarHBondContact O-CE 3.33Å; E130-K140 WeakPolarHBondContact O-CE 3.35Å; E130-K140 PolarHBondContact O-NZ 3.33Å; D132-K140 WeakPolarHBondContact O-CE 3.33Å; D132-K140 PolarHBondContact O-NZ 3.34Å; L135-K140 HydrophobicContact CB-CD 4.31Å; L135-K140 HydrophobicContact CB-CG 3.82Å; L135-K140 HydrophobicContact CD1-CG 4.31Å; L135-K140 VanDerWaalsContact O-CE 3.27Å; L135-K140 WeakPolarHBondContact O-CE 3.22Å; S136-K140 VanDerWaalsContact O-CG 3.3Å; S136-K140 WeakPolarHBondContact O-CG 3.36Å; S136-K140 PolarHBondContact O-N 3.35Å; S136-K140 VanDerWaalsContact O-N 3.14Å; M137-K140 PolarHBondContact O-N 2.67Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 2.97Å; K140-F143 WeakPolarHBondContact O-CB 3.34Å; K140-F143 PolarHBondContact O-N 2.99Å; K140-F143 VanDerWaalsContact O-N 3.12Å; K140-M144 PolarHBondContact O-N 2.71Å; K140-M144 VanDerWaalsContact O-N 3.11Å; K140-Y245 HydrophobicContact CB-CD2 3.84Å; K140-Y245 HydrophobicContact CB-CE2 3.47Å; K140-Y245 VanDerWaalsContact CB-CE2 3.47Å; K140-Y245 HydrophobicContact CD-CE2 3.66Å; K140-Y245 WeakPolarHBondContact CD-OH 3.44Å; K140-Y245 HydrophobicContact CG-CE2 4.23Å
141	Y	93.7	Very high	92.8	Very high	82 Å²	82	68 Å²	68	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-49.2	-55.9	-174.3	-166.9	-74.6	0	0	0	113.7	M137 E138 F143 M144 V145 H243 N246	M137-Y141 PolarHBondContact O-N 3.33Å; E138-Y141 WeakPolarHBondContact O-CB 3.42Å; E138-Y141 PolarHBondContact O-N 2.78Å; Y141-F143 PolarHBondContact O-N 2.96Å; Y141-M144 PolarHBondContact O-N 2.99Å; Y141-M144 VanDerWaalsContact O-N 3.09Å; Y141-V145 HydrophobicContact CD1-CG2 3.88Å; Y141-V145 HydrophobicContact CE1-CG2 3.64Å; Y141-V145 PolarHBondContact O-N 3.39Å; Y141-V145 VanDerWaalsContact O-N 3.09Å; Y141-H243 AromaticContact CD2-CE1 3.66Å; Y141-H243 AromaticContact CE1-NE2 3.66Å; Y141-H243 AromaticContact CE2-CE1 3.51Å; Y141-H243 AromaticContact CE2-NE2 3.74Å; Y141-H243 AromaticContact CZ-CE1 3.79Å; Y141-H243 AromaticContact CZ-NE2 3.5Å; Y141-N246 HydrophobicContact CE2-CB 3.7Å
142	P	96.8	Very high	93.4	Very high	75 Å²	75	66.9 Å²	66.9	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-30.8	-177.7	25.1	-35.6	0	0	0	113.1	E138 E146	E138-P142 WeakPolarHBondContact O-CD 3.34Å; P142-E146 WeakPolarHBondContact O-CB 3.49Å; P142-E146 PolarHBondContact O-N 2.85Å
143	F	97.3	Very high	94	Very high	80 Å²	80	66.5 Å²	66.5	35%	0.351	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-36.5	176.5	-65.3	-75.7	0	0	0	112.1	Y126 I129 E139 K140 Y141 E146 W147	Y126-F143 HydrophobicContact CD1-CB 4.11Å; Y126-F143 WeakPolarHBondContact CD1-O 3.44Å; Y126-F143 HydrophobicContact CE1-CB 4.32Å; Y126-F143 HydrophobicContact CE1-CD1 4.22Å; I129-F143 HydrophobicContact CD1-CD1 3.94Å; I129-F143 HydrophobicContact CD1-CE1 4.33Å; I129-F143 HydrophobicContact CD1-CG 4.18Å; I129-F143 HydrophobicContact CG2-CB 4.09Å; I129-F143 HydrophobicContact CG2-CD2 3.95Å; I129-F143 HydrophobicContact CG2-CG 4.04Å; E139-F143 VanDerWaalsContact O-CD2 3.26Å; E139-F143 WeakPolarHBondContact O-CD2 3.28Å; E139-F143 WeakPolarHBondContact O-CE2 3.25Å; K140-F143 WeakPolarHBondContact O-CB 3.34Å; K140-F143 PolarHBondContact O-N 2.99Å; K140-F143 VanDerWaalsContact O-N 3.12Å; Y141-F143 PolarHBondContact O-N 2.96Å; F143-E146 PolarHBondContact O-N 3.33Å; F143-W147 WeakPolarHBondContact O-CB 3.45Å; F143-W147 PolarHBondContact O-N 3.49Å
144	M	96.8	Very high	94.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-42.2	175.5	-64	-56.7	97.1	0	0	111	E130 K140 Y141 E146 W147 Y148 H243 V244 Y245	E130-M144 HydrophobicContact CB-CE 3.94Å; E130-M144 HydrophobicContact CB-SD 3.89Å; E130-M144 HydrophobicContact CG-SD 3.96Å; K140-M144 PolarHBondContact O-N 2.71Å; K140-M144 VanDerWaalsContact O-N 3.11Å; Y141-M144 PolarHBondContact O-N 2.99Å; Y141-M144 VanDerWaalsContact O-N 3.09Å; M144-E146 VanDerWaalsContact C-N 3.34Å; M144-E146 PolarHBondContact O-N 2.61Å; M144-W147 HydrophobicContact CE-CE3 3.9Å; M144-W147 HydrophobicContact CE-CZ3 4.43Å; M144-W147 PolarHBondContact O-N 3.05Å; M144-W147 HydrophobicContact SD-CE3 3.89Å; M144-W147 HydrophobicContact SD-CZ3 4.26Å; M144-Y148 VanDerWaalsContact O-CD2 3.23Å; M144-Y148 WeakPolarHBondContact O-CD2 3.38Å; M144-Y148 PolarHBondContact O-N 3.13Å; M144-H243 HydrophobicContact CB-CB 4.3Å; M144-V244 HydrophobicContact CG-CG1 3.96Å; M144-V244 HydrophobicContact SD-CG1 4.03Å; M144-Y245 HydrophobicContact CG-CD2 3.56Å; M144-Y245 HydrophobicContact CG-CE2 3.64Å; M144-Y245 HydrophobicContact SD-CE2 4.29Å
145	V	96.3	Very high	95.3	Very high	56 Å²	56	56.9 Å²	56.9	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-56.4	-49.5	172.7	176.8	0	0	0	0	110.8	Y141 W147 F149 H243	Y141-V145 HydrophobicContact CD1-CG2 3.88Å; Y141-V145 HydrophobicContact CE1-CG2 3.64Å; Y141-V145 PolarHBondContact O-N 3.39Å; Y141-V145 VanDerWaalsContact O-N 3.09Å; V145-W147 PolarHBondContact O-N 2.81Å; V145-F149 VanDerWaalsContact O-CB 3.25Å; V145-F149 WeakPolarHBondContact O-CB 3.45Å; V145-F149 PolarHBondContact O-N 3.41Å; V145-H243 WeakPolarHBondContact CG2-NE2 3.29Å
146	E	97.8	Very high	95.8	Very high	69 Å²	69	56.4 Å²	56.4	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-42.7	-179.9	-167.3	-170.1	-176.3	0	0	112.1	Y126 P142 F143 M144 K150	Y126-E146 HydrophobicContact CE1-CB 4.31Å; Y126-E146 WeakPolarHBondContact CE1-OE2 3.33Å; Y126-E146 WeakPolarHBondContact OH-CG 3.37Å; Y126-E146 PolarHBondContact OH-OE1 2.93Å; Y126-E146 VanDerWaalsContact OH-OE1 3.1Å; Y126-E146 PolarHBondContact OH-OE2 3.2Å; P142-E146 WeakPolarHBondContact O-CB 3.49Å; P142-E146 PolarHBondContact O-N 2.85Å; F143-E146 PolarHBondContact O-N 3.33Å; M144-E146 VanDerWaalsContact C-N 3.34Å; M144-E146 PolarHBondContact O-N 2.61Å; E146-K150 HydrophobicContact CG-CD 4.22Å; E146-K150 WeakPolarHBondContact O-CB 3.5Å; E146-K150 VanDerWaalsContact O-CG 3.31Å; E146-K150 WeakPolarHBondContact O-CG 3.27Å; E146-K150 PolarHBondContact O-N 3.46Å; E146-K150 VanDerWaalsContact OE1-CE 3.25Å; E146-K150 WeakPolarHBondContact OE1-CE 3.45Å; E146-K150 IonicContact OE1-NZ 3.1Å; E146-K150 PolarHBondContact OE1-NZ 3.42Å
147	W	98	Very high	96.1	Very high	34 Å²	34	59.7 Å²	59.7	13%	0.129	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-52.3	-180	-175.9	12.8	0	0	0	111.9	R123 Y126 Y127 E130 F143 M144 V145 F149 K150 S151	R123-W147 HydrophobicContact CB-CZ2 4.15Å; R123-W147 HydrophobicContact CG-CZ2 4.07Å; Y126-W147 VanDerWaalsContact CB-CE3 3.41Å; Y126-W147 HydrophobicContact CD1-CB 3.85Å; Y126-W147 HydrophobicContact CD1-CG 4.43Å; Y126-W147 HydrophobicContact CD2-CB 3.6Å; Y126-W147 AromaticContact CD2-CD1 3.6Å; Y126-W147 HydrophobicContact CD2-CD2 4.22Å; Y126-W147 AromaticContact CD2-CG 3.51Å; Y126-W147 HydrophobicContact CD2-CG 3.51Å; Y126-W147 HydrophobicContact CE1-CB 4.32Å; Y126-W147 HydrophobicContact CE2-CB 4.15Å; Y126-W147 HydrophobicContact CE2-CG 4.38Å; Y126-W147 HydrophobicContact CG-CB 3.48Å; Y126-W147 VanDerWaalsContact CG-CB 3.48Å; Y126-W147 AromaticContact CG-CD2 4Å; Y126-W147 HydrophobicContact CG-CD2 4Å; Y126-W147 HydrophobicContact CG-CE3 4.39Å; Y126-W147 AromaticContact CG-CG 3.58Å; Y126-W147 HydrophobicContact CG-CG 3.58Å; Y127-W147 HydrophobicContact CD2-CH2 4.37Å; E130-W147 VanDerWaalsContact OE2-CZ3 3.27Å; E130-W147 WeakPolarHBondContact OE2-CZ3 3.21Å; F143-W147 WeakPolarHBondContact O-CB 3.45Å; F143-W147 PolarHBondContact O-N 3.49Å; M144-W147 HydrophobicContact CE-CE3 3.9Å; M144-W147 HydrophobicContact CE-CZ3 4.43Å; M144-W147 PolarHBondContact O-N 3.05Å; M144-W147 HydrophobicContact SD-CE3 3.89Å; M144-W147 HydrophobicContact SD-CZ3 4.26Å; V145-W147 PolarHBondContact O-N 2.81Å; W147-F149 PolarHBondContact O-N 3.22Å; W147-K150 PolarHBondContact O-N 2.82Å; W147-S151 WeakPolarHBondContact O-CB 3.46Å; W147-S151 PolarHBondContact O-N 2.83Å
148	Y	97.8	Very high	96.6	Very high	31 Å²	31	57.4 Å²	57.4	12%	0.122	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-44.3	-178.8	-84.8	-104.7	0	0	0	111	H102 M144 K150 S151 H152 A199 L241 H243	H102-Y148 AromaticContact CE1-CE1 3.85Å; M144-Y148 VanDerWaalsContact O-CD2 3.23Å; M144-Y148 WeakPolarHBondContact O-CD2 3.38Å; M144-Y148 PolarHBondContact O-N 3.13Å; Y148-K150 PolarHBondContact O-N 2.86Å; Y148-S151 PolarHBondContact O-N 2.85Å; Y148-H152 VanDerWaalsContact O-CB 3.29Å; Y148-H152 WeakPolarHBondContact O-CB 3.42Å; Y148-H152 VanDerWaalsContact O-CG 3.25Å; Y148-H152 PolarHBondContact O-N 2.88Å; Y148-A199 VanDerWaalsContact CE1-O 3.28Å; Y148-A199 WeakPolarHBondContact CE1-O 3.35Å; Y148-L241 HydrophobicContact CD1-CD1 3.91Å; Y148-L241 HydrophobicContact CG-CD1 4.14Å; Y148-H243 HydrophobicContact CD1-CB 4.49Å; Y148-H243 HydrophobicContact CD2-CB 3.9Å; Y148-H243 HydrophobicContact CE1-CB 4.44Å; Y148-H243 HydrophobicContact CE2-CB 3.84Å; Y148-H243 HydrophobicContact CG-CB 4.21Å
149	F	96.9	Very high	97	Very high	139 Å²	139	57.3 Å²	57.3	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-57.8	-46.7	176.8	-179.4	-96.6	0	0	0	112.2	V145 W147 S153	V145-F149 VanDerWaalsContact O-CB 3.25Å; V145-F149 WeakPolarHBondContact O-CB 3.45Å; V145-F149 PolarHBondContact O-N 3.41Å; W147-F149 PolarHBondContact O-N 3.22Å; F149-S153 WeakPolarHBondContact O-CB 3.34Å; F149-S153 PolarHBondContact O-N 3.41Å; F149-S153 PolarHBondContact O-OG 2.85Å
150	K	98	Very high	97.1	Very high	71 Å²	71	52.7 Å²	52.7	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-43.6	177.6	-73.4	178.6	-178.5	174.1	0	112.3	L122 Y126 E146 W147 Y148 S153 L154	L122-K150 HydrophobicContact CD1-CB 3.76Å; L122-K150 HydrophobicContact CD2-CB 3.99Å; L122-K150 HydrophobicContact CD2-CD 3.73Å; Y126-K150 PolarHBondContact OH-NZ 2.96Å; Y126-K150 VanDerWaalsContact OH-NZ 3.11Å; E146-K150 HydrophobicContact CG-CD 4.22Å; E146-K150 WeakPolarHBondContact O-CB 3.5Å; E146-K150 VanDerWaalsContact O-CG 3.31Å; E146-K150 WeakPolarHBondContact O-CG 3.27Å; E146-K150 PolarHBondContact O-N 3.46Å; E146-K150 VanDerWaalsContact OE1-CE 3.25Å; E146-K150 WeakPolarHBondContact OE1-CE 3.45Å; E146-K150 IonicContact OE1-NZ 3.1Å; E146-K150 PolarHBondContact OE1-NZ 3.42Å; W147-K150 PolarHBondContact O-N 2.82Å; Y148-K150 PolarHBondContact O-N 2.86Å; K150-S153 PolarHBondContact O-N 2.81Å; K150-L154 WeakPolarHBondContact O-CG 3.34Å; K150-L154 PolarHBondContact O-N 3.43Å; K150-L154 VanDerWaalsContact O-N 3.09Å
151	S	97.4	Very high	97.3	Very high	9 Å²	9	56 Å²	56	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-51.7	178	-176.2	0	0	0	0	110.8	L119 W147 Y148 S153 L154 L155	L119-S151 WeakPolarHBondContact CD2-OG 3.35Å; W147-S151 WeakPolarHBondContact O-CB 3.46Å; W147-S151 PolarHBondContact O-N 2.83Å; Y148-S151 PolarHBondContact O-N 2.85Å; S151-S153 VanDerWaalsContact C-N 3.34Å; S151-S153 PolarHBondContact O-N 2.95Å; S151-L154 WeakPolarHBondContact O-CB 3.21Å; S151-L154 PolarHBondContact O-N 2.93Å; S151-L155 WeakPolarHBondContact O-CG 3.46Å; S151-L155 PolarHBondContact O-N 3.25Å; S151-L155 VanDerWaalsContact O-N 3.09Å
152	H	98.1	Very high	97.5	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.065	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-40	178.1	-71.9	173.3	0	0	0	112.9	H102 Y148 L154 L155 V156 F237	H102-H152 AromaticContact CE1-NE2 3.98Å; H102-H152 AromaticContact NE2-CD2 3.65Å; H102-H152 AromaticContact NE2-NE2 3.12Å; H102-H152 PolarHBondContact NE2-NE2 2.79Å; H102-H152 VanDerWaalsContact NE2-NE2 3.12Å; Y148-H152 VanDerWaalsContact O-CB 3.29Å; Y148-H152 WeakPolarHBondContact O-CB 3.42Å; Y148-H152 VanDerWaalsContact O-CG 3.25Å; Y148-H152 PolarHBondContact O-N 2.88Å; H152-L154 PolarHBondContact O-N 3.42Å; H152-L155 PolarHBondContact O-N 3.43Å; H152-V156 WeakPolarHBondContact O-CG2 3.46Å; H152-V156 PolarHBondContact O-N 3.22Å; H152-F237 HydrophobicContact CB-CD2 3.69Å; H152-F237 HydrophobicContact CB-CE2 3.42Å; H152-F237 VanDerWaalsContact CB-CE2 3.42Å; H152-F237 HydrophobicContact CB-CZ 4.27Å; H152-F237 AromaticContact CD2-CE2 3.63Å; H152-F237 AromaticContact CD2-CZ 3.56Å; H152-F237 AromaticContact CG-CD2 3.67Å; H152-F237 AromaticContact CG-CE2 3.42Å; H152-F237 VanDerWaalsContact CG-CE2 3.42Å; H152-F237 AromaticContact CG-CZ 3.85Å; H152-F237 AromaticContact ND1-CD2 3.74Å; H152-F237 AromaticContact ND1-CE2 3.95Å; H152-F237 AromaticContact ND1-CG 3.97Å; H152-F237 AromaticContact NE2-CE1 3.94Å; H152-F237 AromaticContact NE2-CZ 3.87Å
153	S	97.9	Very high	97.6	Very high	39 Å²	39	59.5 Å²	59.5	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-44.2	176.3	-60.1	0	0	0	0	111.7	F149 K150 S151 L155 V156 E157	F149-S153 WeakPolarHBondContact O-CB 3.34Å; F149-S153 PolarHBondContact O-N 3.41Å; F149-S153 PolarHBondContact O-OG 2.85Å; K150-S153 PolarHBondContact O-N 2.81Å; S151-S153 VanDerWaalsContact C-N 3.34Å; S151-S153 PolarHBondContact O-N 2.95Å; S153-L155 VanDerWaalsContact C-N 3.32Å; S153-L155 PolarHBondContact O-N 3.06Å; S153-V156 PolarHBondContact O-N 2.83Å; S153-E157 WeakPolarHBondContact O-CG 3.35Å; S153-E157 PolarHBondContact O-N 3.38Å; S153-E157 VanDerWaalsContact O-N 3.08Å
154	L	98.1	Very high	97.6	Very high	22 Å²	22	58.8 Å²	58.8	12%	0.115	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.8	175.7	-70.7	172.8	0	0	0	112.1	K118 L119 L122 K150 S151 H152 E157 Q158	K118-L154 HydrophobicContact CB-CD1 3.77Å; K118-L154 HydrophobicContact CB-CD2 4.39Å; K118-L154 HydrophobicContact CD-CD2 3.84Å; L119-L154 HydrophobicContact CD2-CB 4.25Å; L119-L154 HydrophobicContact CD2-CD1 3.95Å; L119-L154 HydrophobicContact CG-CD1 4.14Å; L122-L154 HydrophobicContact CD1-CD1 3.68Å; K150-L154 WeakPolarHBondContact O-CG 3.34Å; K150-L154 PolarHBondContact O-N 3.43Å; K150-L154 VanDerWaalsContact O-N 3.09Å; S151-L154 WeakPolarHBondContact O-CB 3.21Å; S151-L154 PolarHBondContact O-N 2.93Å; H152-L154 PolarHBondContact O-N 3.42Å; L154-E157 WeakPolarHBondContact O-CB 3.42Å; L154-E157 PolarHBondContact O-N 3.16Å; L154-Q158 WeakPolarHBondContact O-CG 3.32Å; L154-Q158 PolarHBondContact O-N 2.65Å
155	L	97.4	Very high	97.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-39.5	176.5	-63.5	-175.7	0	0	0	112.3	I105 L119 S151 H152 S153 E157 Q158 L160 L201 L234	I105-L155 HydrophobicContact CG2-CD1 4.22Å; I105-L155 HydrophobicContact CG2-CD2 3.76Å; L119-L155 HydrophobicContact CD1-CD2 4.13Å; S151-L155 WeakPolarHBondContact O-CG 3.46Å; S151-L155 PolarHBondContact O-N 3.25Å; S151-L155 VanDerWaalsContact O-N 3.09Å; H152-L155 PolarHBondContact O-N 3.43Å; S153-L155 VanDerWaalsContact C-N 3.32Å; S153-L155 PolarHBondContact O-N 3.06Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-E157 PolarHBondContact O-N 3.44Å; L155-Q158 WeakPolarHBondContact O-CB 3.28Å; L155-Q158 PolarHBondContact O-N 3.46Å; L155-Q158 VanDerWaalsContact O-N 3.12Å; L155-L160 HydrophobicContact CB-CD1 4.33Å; L155-L201 HydrophobicContact CD1-CD1 4.45Å; L155-L234 HydrophobicContact CB-CD2 4.17Å
156	V	97.8	Very high	97.8	Very high	40 Å²	40	58.4 Å²	58.4	24%	0.242	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-41.1	174.4	172.4	0	0	0	0	110.8	H152 S153 Q158 R159 L234	H152-V156 WeakPolarHBondContact O-CG2 3.46Å; H152-V156 PolarHBondContact O-N 3.22Å; S153-V156 PolarHBondContact O-N 2.83Å; V156-Q158 PolarHBondContact O-N 3.02Å; V156-R159 PolarHBondContact O-N 3.11Å; V156-L234 HydrophobicContact CG2-CD2 4.2Å; V156-L234 HydrophobicContact CG2-CG 4.05Å
157	E	97.6	Very high	97.8	Very high	123 Å²	123	59 Å²	59	58%	0.575	27%	0.272	S	S	*	.	H	α-helix	trans	-60.9	-25.5	176	-69.7	172.2	-163.7	0	0	113.2	S153 L154 L155 R159	S153-E157 WeakPolarHBondContact O-CG 3.35Å; S153-E157 PolarHBondContact O-N 3.38Å; S153-E157 VanDerWaalsContact O-N 3.08Å; L154-E157 WeakPolarHBondContact O-CB 3.42Å; L154-E157 PolarHBondContact O-N 3.16Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-E157 PolarHBondContact O-N 3.44Å; E157-R159 PolarHBondContact O-N 3.29Å
158	Q	98.1	Very high	97.8	Very high	37 Å²	37	58 Å²	58	17%	0.173	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.4	175.7	-57.2	-50.8	-81.7	0	0	113.7	V111 T112 C115 L154 L155 V156 L160	V111-Q158 HydrophobicContact CG1-CG 4.22Å; V111-Q158 HydrophobicContact CG2-CG 4.31Å; T112-Q158 PolarHBondContact OG1-OE1 2.63Å; C115-Q158 HydrophobicContact CB-CG 4.25Å; L154-Q158 WeakPolarHBondContact O-CG 3.32Å; L154-Q158 PolarHBondContact O-N 2.65Å; L155-Q158 WeakPolarHBondContact O-CB 3.28Å; L155-Q158 PolarHBondContact O-N 3.46Å; L155-Q158 VanDerWaalsContact O-N 3.12Å; V156-Q158 PolarHBondContact O-N 3.02Å; Q158-L160 VanDerWaalsContact C-N 3.31Å; Q158-L160 HydrophobicContact CB-CD2 3.94Å; Q158-L160 HydrophobicContact CB-CG 4.21Å; Q158-L160 PolarHBondContact O-N 3.35Å
159	R	97.2	Very high	97.8	Very high	168 Å²	168	57 Å²	57	63%	0.634	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	45.9	178	-59.9	-173.7	64.4	136	5.6	113.1	V156 E157 E161 V233	V156-R159 PolarHBondContact O-N 3.11Å; E157-R159 PolarHBondContact O-N 3.29Å; R159-E161 PolarHBondContact O-N 3.09Å; R159-V233 HydrophobicContact CB-CG1 3.69Å; R159-V233 HydrophobicContact CG-CG1 4.3Å
160	L	97.4	Very high	97.9	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	27%	0.268	C	S	.	.			trans	-59	131.4	-177.7	-57.7	177.4	0	0	0	111.5	I105 L110 V111 L155 Q158 L234	I105-L160 HydrophobicContact CG2-CD1 3.44Å; I105-L160 VanDerWaalsContact CG2-CD1 3.44Å; L110-L160 HydrophobicContact CB-CD2 3.63Å; L110-L160 HydrophobicContact CD1-CD2 4.22Å; V111-L160 HydrophobicContact CG2-CD2 4.33Å; L155-L160 HydrophobicContact CB-CD1 4.33Å; Q158-L160 VanDerWaalsContact C-N 3.31Å; Q158-L160 HydrophobicContact CB-CD2 3.94Å; Q158-L160 HydrophobicContact CB-CG 4.21Å; Q158-L160 PolarHBondContact O-N 3.35Å; L160-L234 HydrophobicContact CB-CB 4.06Å; L160-L234 HydrophobicContact CB-CD2 4.25Å; L160-L234 HydrophobicContact CD1-CD2 3.93Å; L160-L234 HydrophobicContact CG-CD2 4.29Å; L160-L234 WeakPolarHBondContact O-CB 3.46Å; L160-L234 PolarHBondContact O-N 2.86Å
161	E	97.8	Very high	97.9	Very high	83 Å²	83	59.7 Å²	59.7	39%	0.388	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-94.1	127.8	-179.4	-63.2	-177.5	-107.8	0	0	111.2	R159 H163 K164 G232 V233	R159-E161 PolarHBondContact O-N 3.09Å; E161-H163 VanDerWaalsContact C-N 3.26Å; E161-H163 PolarHBondContact O-N 2.67Å; E161-H163 IonicContact OE2-CE1 2.71Å; E161-H163 PolarHBondContact OE2-CE1 3.13Å; E161-H163 IonicContact OE2-ND1 2.76Å; E161-K164 HydrophobicContact CB-CG 4.2Å; E161-K164 WeakPolarHBondContact O-CB 3.26Å; E161-K164 PolarHBondContact O-N 2.83Å; E161-G232 WeakPolarHBondContact CA-O 3.47Å; E161-V233 HydrophobicContact CG-CG2 4.38Å
162	K	97.8	Very high	97.9	Very high	108 Å²	108	60.8 Å²	60.8	47%	0.47	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-53.5	-42.4	-176.5	-172.2	175.9	-177.3	174.2	0	113.1	K164 L165 F228 G232	K162-K164 PolarHBondContact O-N 3.11Å; K162-K164 VanDerWaalsContact O-N 3.12Å; K162-L165 WeakPolarHBondContact O-CB 3.09Å; K162-L165 WeakPolarHBondContact O-CG 3.37Å; K162-L165 PolarHBondContact O-N 2.62Å; K162-L165 VanDerWaalsContact O-N 3.14Å; K162-F228 HydrophobicContact CB-CD1 3.73Å; K162-F228 HydrophobicContact CB-CD2 4.19Å; K162-F228 HydrophobicContact CB-CE1 3.6Å; K162-F228 HydrophobicContact CB-CE2 4.04Å; K162-F228 HydrophobicContact CB-CG 4.04Å; K162-F228 HydrophobicContact CB-CZ 3.76Å; K162-F228 HydrophobicContact CD-CD2 3.78Å; K162-F228 HydrophobicContact CD-CE2 3.82Å; K162-F228 HydrophobicContact CD-CG 4.28Å; K162-F228 HydrophobicContact CD-CZ 4.38Å; K162-F228 HydrophobicContact CG-CD2 4.14Å; K162-F228 HydrophobicContact CG-CE1 4.23Å; K162-F228 HydrophobicContact CG-CE2 3.79Å; K162-F228 HydrophobicContact CG-CG 4.49Å; K162-F228 HydrophobicContact CG-CZ 3.85Å; K162-G232 PolarHBondContact N-O 3.12Å
163	H	97.8	Very high	97.8	Very high	123 Å²	123	64.8 Å²	64.8	57%	0.569	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-67	-13.7	-175.4	81	-92.2	0	0	0	113.5	E161	E161-H163 VanDerWaalsContact C-N 3.26Å; E161-H163 PolarHBondContact O-N 2.67Å; E161-H163 IonicContact OE2-CE1 2.71Å; E161-H163 PolarHBondContact OE2-CE1 3.13Å; E161-H163 IonicContact OE2-ND1 2.76Å
164	K	98	Very high	97.8	Very high	66 Å²	66	64.1 Å²	64.1	29%	0.287	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-89.1	-16.1	176.9	-66.6	-62.2	-165.6	173.7	0	113.8	L110 E161 K162 P166 E167 V168	L110-K164 HydrophobicContact CD1-CB 3.71Å; L110-K164 HydrophobicContact CD1-CG 4.39Å; E161-K164 HydrophobicContact CB-CG 4.2Å; E161-K164 WeakPolarHBondContact O-CB 3.26Å; E161-K164 PolarHBondContact O-N 2.83Å; K162-K164 PolarHBondContact O-N 3.11Å; K162-K164 VanDerWaalsContact O-N 3.12Å; K164-P166 VanDerWaalsContact C-CD 3.49Å; K164-E167 IonicContact NZ-OE2 3.23Å; K164-E167 PolarHBondContact NZ-OE2 3.48Å; K164-E167 WeakPolarHBondContact O-CB 3.3Å; K164-E167 PolarHBondContact O-N 3.38Å; K164-V168 WeakPolarHBondContact O-CG2 3.27Å; K164-V168 PolarHBondContact O-N 3.23Å
165	L	98	Very high	97.8	Very high	8 Å²	8	65.6 Å²	65.6	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-55.4	-41.7	-179	-63	-178.5	0	0	0	113.7	I105 K162 E167 V168 V169 D203 M226 F228	I105-L165 HydrophobicContact CD1-CD2 3.79Å; K162-L165 WeakPolarHBondContact O-CB 3.09Å; K162-L165 WeakPolarHBondContact O-CG 3.37Å; K162-L165 PolarHBondContact O-N 2.62Å; K162-L165 VanDerWaalsContact O-N 3.14Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 2.8Å; L165-V168 PolarHBondContact O-N 2.83Å; L165-V169 WeakPolarHBondContact O-CG2 3.15Å; L165-V169 PolarHBondContact O-N 2.81Å; L165-D203 HydrophobicContact CD1-CB 3.86Å; L165-M226 HydrophobicContact CD1-SD 4.28Å; L165-F228 HydrophobicContact CD1-CZ 4.03Å
166	P	98.4	Very high	97.9	Very high	39 Å²	39	66.3 Å²	66.3	25%	0.253	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-37.4	175.7	-26.8	36.9	0	0	0	114	K164 R170 E207 Q211	K164-P166 VanDerWaalsContact C-CD 3.49Å; P166-R170 WeakPolarHBondContact O-CB 3.42Å; P166-R170 PolarHBondContact O-N 3.22Å; P166-E207 WeakPolarHBondContact CA-OE1 3.25Å; P166-E207 HydrophobicContact CB-CG 4.39Å; P166-E207 VanDerWaalsContact CB-OE1 3.31Å; P166-E207 WeakPolarHBondContact CB-OE1 3.31Å; P166-E207 HydrophobicContact CG-CG 4.48Å; P166-Q211 PolarHBondContact O-NE2 3.22Å
167	E	98.3	Very high	97.9	Very high	83 Å²	83	64.4 Å²	64.4	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-46.1	175.8	-172.8	179.3	-177.5	0	0	110.5	K164 L165 V169 R170 E171	K164-E167 IonicContact NZ-OE2 3.23Å; K164-E167 PolarHBondContact NZ-OE2 3.48Å; K164-E167 WeakPolarHBondContact O-CB 3.3Å; K164-E167 PolarHBondContact O-N 3.38Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 2.8Å; E167-V169 PolarHBondContact O-N 3.12Å; E167-R170 PolarHBondContact O-N 3.11Å; E167-E171 WeakPolarHBondContact O-CG 3.48Å; E167-E171 PolarHBondContact O-N 2.67Å
168	V	98.1	Very high	98	Very high	11 Å²	11	64.2 Å²	64.2	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-57.9	-45.9	178.2	169.6	0	0	0	0	112.1	V104 I105 C108 L110 K164 L165 E171 S172	V104-V168 HydrophobicContact CG1-CG1 3.86Å; I105-V168 HydrophobicContact CD1-CG1 3.98Å; C108-V168 HydrophobicContact CB-CB 4.35Å; C108-V168 HydrophobicContact CB-CG1 3.51Å; C108-V168 HydrophobicContact CB-CG2 4Å; L110-V168 HydrophobicContact CD1-CG2 3.71Å; L110-V168 HydrophobicContact CG-CG2 4.16Å; K164-V168 WeakPolarHBondContact O-CG2 3.27Å; K164-V168 PolarHBondContact O-N 3.23Å; L165-V168 PolarHBondContact O-N 2.83Å; V168-E171 PolarHBondContact O-N 3.24Å; V168-S172 PolarHBondContact O-N 2.67Å
169	V	98.4	Very high	98	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-45.1	178.2	168.4	0	0	0	0	111.2	V104 L165 E167 E171 S172 V204 E207 V208	V104-V169 HydrophobicContact CG1-CG2 4.26Å; L165-V169 WeakPolarHBondContact O-CG2 3.15Å; L165-V169 PolarHBondContact O-N 2.81Å; E167-V169 PolarHBondContact O-N 3.12Å; V169-E171 VanDerWaalsContact C-N 3.3Å; V169-E171 PolarHBondContact O-N 2.86Å; V169-S172 WeakPolarHBondContact O-CB 2.86Å; V169-S172 PolarHBondContact O-N 3.09Å; V169-S172 VanDerWaalsContact O-N 3.11Å; V169-S172 PolarHBondContact O-OG 3.38Å; V169-V204 HydrophobicContact CG2-CG1 3.83Å; V169-E207 HydrophobicContact CB-CG 3.92Å; V169-E207 HydrophobicContact CG1-CG 4.18Å; V169-E207 HydrophobicContact CG2-CB 4.03Å; V169-E207 HydrophobicContact CG2-CG 3.8Å; V169-V208 HydrophobicContact CG1-CB 4.37Å; V169-V208 HydrophobicContact CG1-CG2 3.59Å; V169-V208 HydrophobicContact CG2-CG2 4.3Å
170	R	97.9	Very high	98.1	Very high	167 Å²	167	57.3 Å²	57.3	63%	0.63	28%	0.281	S	S	*	.	H	α-helix	trans	-64.2	-33.4	-178.4	-163.1	-163.9	-31.8	-92.5	-11.4	113.1	P166 E167 S172	P166-R170 WeakPolarHBondContact O-CB 3.42Å; P166-R170 PolarHBondContact O-N 3.22Å; E167-R170 PolarHBondContact O-N 3.11Å; R170-S172 VanDerWaalsContact C-N 3.33Å
171	E	97.3	Very high	98.1	Very high	100 Å²	100	62.6 Å²	62.6	47%	0.467	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.4	177.6	-67.3	-167.4	150.6	0	0	113.4	K109 E167 V168 V169	K109-E171 WeakPolarHBondContact CE-OE2 3.39Å; K109-E171 IonicContact NZ-OE1 2.81Å; K109-E171 PolarHBondContact NZ-OE1 3.32Å; K109-E171 IonicContact NZ-OE2 2.84Å; K109-E171 PolarHBondContact NZ-OE2 3.14Å; E167-E171 WeakPolarHBondContact O-CG 3.48Å; E167-E171 PolarHBondContact O-N 2.67Å; V168-E171 PolarHBondContact O-N 3.24Å; V169-E171 VanDerWaalsContact C-N 3.3Å; V169-E171 PolarHBondContact O-N 2.86Å
172	S	97.5	Very high	98.2	Very high	31 Å²	31	63.2 Å²	63.2	22%	0.217	31%	0.308	C	S	.	.	S	Bend	trans	-81.2	158.5	-176.1	79.9	0	0	0	0	113.3	V168 V169 R170 L174	V168-S172 PolarHBondContact O-N 2.67Å; V169-S172 WeakPolarHBondContact O-CB 2.86Å; V169-S172 PolarHBondContact O-N 3.09Å; V169-S172 VanDerWaalsContact O-N 3.11Å; V169-S172 PolarHBondContact O-OG 3.38Å; R170-S172 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 2.78Å; S172-L174 PolarHBondContact OG-N 3.47Å
173	D	96.9	Very high	98.2	Very high	99 Å²	99	58.1 Å²	58.1	53%	0.529	29%	0.286	S	S	.	.			trans	-85.3	15.7	173.5	-73.5	-22.1	0	0	0	112.7	K96 P99 V175	K96-D173 IonicContact NZ-OD2 2.69Å; K96-D173 PolarHBondContact NZ-OD2 3.24Å; P99-D173 VanDerWaalsContact CD-O 3.3Å; P99-D173 WeakPolarHBondContact CD-O 3.19Å; P99-D173 HydrophobicContact CG-CB 4.32Å; D173-V175 PolarHBondContact O-N 2.91Å
174	L	98	Very high	98.3	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.131	26%	0.259	C	S	.	.			trans	-69.5	130.5	179.6	-171.8	149.5	0	0	0	109.8	P99 L101 V104 S172 L176 V208	P99-L174 HydrophobicContact CG-CB 3.92Å; L101-L174 HydrophobicContact CD2-CD1 4.26Å; V104-L174 HydrophobicContact CG2-CB 3.91Å; V104-L174 HydrophobicContact CG2-CD1 3.69Å; V104-L174 HydrophobicContact CG2-CG 4.45Å; S172-L174 PolarHBondContact O-N 2.78Å; S172-L174 PolarHBondContact OG-N 3.47Å; L174-L176 HydrophobicContact CD2-CD2 3.98Å; L174-V208 HydrophobicContact CD1-CG2 4.13Å; L174-V208 HydrophobicContact CD2-CG1 3.56Å; L174-V208 HydrophobicContact CD2-CG2 4.13Å
175	V	98.3	Very high	98.3	Very high	53 Å²	53	52.7 Å²	52.7	32%	0.321	26%	0.262	S	S	.	.			trans	-128.3	132.1	-179.9	-174.9	0	0	0	0	109.3	S89 K90 V93 D173	S89-V175 WeakPolarHBondContact CA-O 3.17Å; K90-V175 HydrophobicContact CD-CB 4.26Å; K90-V175 HydrophobicContact CD-CG1 3.79Å; K90-V175 HydrophobicContact CG-CB 4.48Å; K90-V175 HydrophobicContact CG-CG1 4.32Å; K90-V175 PolarHBondContact N-O 2.87Å; V93-V175 HydrophobicContact CG2-CB 4.21Å; V93-V175 HydrophobicContact CG2-CG1 4.36Å; V93-V175 HydrophobicContact CG2-CG2 4.17Å; D173-V175 PolarHBondContact O-N 2.91Å
176	L	98.8	Very high	98.3	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.079	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-78.9	148.5	172.2	-59	-176.9	0	0	0	110.7	F84 I88 K90 L174 H180 V208 A212	F84-L176 HydrophobicContact CE2-CD2 4.27Å; F84-L176 HydrophobicContact CZ-CD2 3.83Å; I88-L176 HydrophobicContact CG2-CD2 4.27Å; K90-L176 WeakPolarHBondContact CE-O 3.3Å; L174-L176 HydrophobicContact CD2-CD2 3.98Å; L176-H180 HydrophobicContact CB-CB 4.13Å; L176-H180 VanDerWaalsContact CD1-CD2 3.44Å; L176-H180 WeakPolarHBondContact CD1-CD2 3.49Å; L176-V208 HydrophobicContact CD1-CG1 4.46Å; L176-V208 HydrophobicContact CD2-CG1 3.9Å; L176-V208 HydrophobicContact CG-CG1 4.38Å; L176-A212 HydrophobicContact CD1-CB 3.75Å
177	R	98.6	Very high	98.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-56.3	148.6	176.9	-77.8	175.2	176.4	-87	-11.5	111.5	M86 T87 I88 K90 G179 H180 N296 D317 E318 T319 L320	M86-R177 PolarHBondContact O-NE 3.34Å; M86-R177 PolarHBondContact O-NH2 2.85Å; T87-R177 WeakPolarHBondContact O-CD 3.36Å; T87-R177 PolarHBondContact O-NE 2.9Å; I88-R177 WeakPolarHBondContact O-CB 3.44Å; I88-R177 WeakPolarHBondContact O-CG 3.34Å; I88-R177 PolarHBondContact O-N 2.95Å; K90-R177 HydrophobicContact CG-CG 4.04Å; R177-G179 PolarHBondContact O-N 3.46Å; R177-H180 WeakPolarHBondContact O-CB 3.41Å; R177-H180 PolarHBondContact O-N 2.83Å; R177-H180 PolarHBondContact O-ND1 3.11Å; R177-N296 PolarHBondContact NH2-OD1 3.12Å; R177-D317 VanDerWaalsContact CZ-O 3.27Å; R177-D317 PolarHBondContact NH1-O 2.92Å; R177-D317 PolarHBondContact NH2-O 3.47Å; R177-D317 VanDerWaalsContact NH2-O 3.14Å; R177-E318 WeakPolarHBondContact CA-O 3.44Å; R177-E318 VanDerWaalsContact NH1-CA 3.34Å; R177-E318 IonicContact NH2-OE2 2.97Å; R177-T319 PolarHBondContact NH1-O 3.37Å; R177-L320 HydrophobicContact CB-CD1 4.31Å; R177-L320 HydrophobicContact CB-CG 3.93Å
178	E	98.6	Very high	98.4	Very high	119 Å²	119	51.1 Å²	51.1	56%	0.556	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-62	133.7	178.2	-172.3	174.4	163.7	0	0	110.5	E318 T319 L320	E178-E318 PolarHBondContact N-O 3.01Å; E178-T319 HydrophobicContact CB-CG2 4.08Å; E178-T319 CarbonylContact O-C 3.56Å; E178-T319 WeakPolarHBondContact O-CA 3.35Å; E178-L320 PolarHBondContact O-N 3.31Å
179	G	98.6	Very high	98.4	Very high	26 Å²	26	57.6 Å²	57.6	27%	0.268	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	7	-175.7	0	0	0	0	0	115.4	R177 E181 Q182 F183 N324	R177-G179 PolarHBondContact O-N 3.46Å; G179-E181 PolarHBondContact O-N 3.22Å; G179-Q182 PolarHBondContact O-N 3.22Å; G179-F183 WeakPolarHBondContact O-CB 3.2Å; G179-F183 PolarHBondContact O-N 2.84Å; G179-N324 PolarHBondContact O-ND2 3.32Å
180	H	98.8	Very high	98.4	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.153	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-39.7	176.2	67.3	-82.7	0	0	0	113.4	L176 R177 Q182 F183 F184 L320	L176-H180 HydrophobicContact CB-CB 4.13Å; L176-H180 VanDerWaalsContact CD1-CD2 3.44Å; L176-H180 WeakPolarHBondContact CD1-CD2 3.49Å; R177-H180 WeakPolarHBondContact O-CB 3.41Å; R177-H180 PolarHBondContact O-N 2.83Å; R177-H180 PolarHBondContact O-ND1 3.11Å; H180-Q182 PolarHBondContact O-N 3.44Å; H180-F183 WeakPolarHBondContact O-CB 3.33Å; H180-F183 PolarHBondContact O-N 2.91Å; H180-F184 HydrophobicContact CB-CD2 4.4Å; H180-F184 HydrophobicContact CB-CE2 4.42Å; H180-F184 VanDerWaalsContact O-CD2 3.22Å; H180-F184 WeakPolarHBondContact O-CD2 3.45Å; H180-F184 PolarHBondContact O-N 2.94Å; H180-L320 HydrophobicContact CB-CD1 4.09Å
181	E	98.7	Very high	98.4	Very high	115 Å²	115	57.3 Å²	57.3	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-50.4	176.4	-64.2	-179	116.9	0	0	110.6	G179 F183 F184 H185 V214	G179-E181 PolarHBondContact O-N 3.22Å; E181-F183 VanDerWaalsContact C-N 3.26Å; E181-F183 PolarHBondContact O-N 3.21Å; E181-F184 PolarHBondContact O-N 3.1Å; E181-H185 WeakPolarHBondContact O-CB 3.39Å; E181-H185 VanDerWaalsContact O-CG 3.26Å; E181-H185 PolarHBondContact O-N 2.88Å; E181-H185 PolarHBondContact O-ND1 2.97Å; E181-V214 HydrophobicContact CG-CG1 4.41Å
182	Q	98.7	Very high	98.4	Very high	95 Å²	95	52.6 Å²	52.6	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-41.9	176.7	-175	-175.9	27.6	0	0	111.7	G179 H180 R186 N324	G179-Q182 PolarHBondContact O-N 3.22Å; H180-Q182 PolarHBondContact O-N 3.44Å; Q182-R186 VanDerWaalsContact NE2-NH2 3.18Å; Q182-R186 WeakPolarHBondContact O-CB 3.38Å; Q182-R186 PolarHBondContact O-N 3.31Å; Q182-N324 PolarHBondContact OE1-ND2 3.12Å
183	F	98.9	Very high	98.5	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-58.5	-180	-179.5	-98.7	0	0	0	111	V80 I88 G179 H180 E181 L187 L270 L320 P323 N324 L327	V80-F183 HydrophobicContact CG1-CZ 3.93Å; I88-F183 HydrophobicContact CD1-CE1 4.24Å; G179-F183 WeakPolarHBondContact O-CB 3.2Å; G179-F183 PolarHBondContact O-N 2.84Å; H180-F183 WeakPolarHBondContact O-CB 3.33Å; H180-F183 PolarHBondContact O-N 2.91Å; E181-F183 VanDerWaalsContact C-N 3.26Å; E181-F183 PolarHBondContact O-N 3.21Å; F183-L187 HydrophobicContact CD1-CD1 3.76Å; F183-L187 HydrophobicContact CD2-CD1 4.28Å; F183-L187 HydrophobicContact CE1-CD1 3.47Å; F183-L187 VanDerWaalsContact CE1-CD1 3.47Å; F183-L187 HydrophobicContact CE2-CD1 4.03Å; F183-L187 HydrophobicContact CG-CD1 4.16Å; F183-L187 HydrophobicContact CZ-CD1 3.63Å; F183-L187 WeakPolarHBondContact O-CD1 3.43Å; F183-L187 VanDerWaalsContact O-CG 3.23Å; F183-L187 WeakPolarHBondContact O-CG 3.36Å; F183-L187 PolarHBondContact O-N 3.34Å; F183-L270 HydrophobicContact CE2-CD1 3.97Å; F183-L270 HydrophobicContact CZ-CD1 3.65Å; F183-L320 HydrophobicContact CB-CD1 4.1Å; F183-L320 HydrophobicContact CD1-CD1 4.47Å; F183-L320 HydrophobicContact CG-CD1 4.17Å; F183-P323 HydrophobicContact CD2-CB 4.33Å; F183-P323 HydrophobicContact CE2-CB 4.11Å; F183-N324 WeakPolarHBondContact CA-OD1 3.41Å; F183-N324 VanDerWaalsContact CB-OD1 3.31Å; F183-N324 WeakPolarHBondContact CB-OD1 3.22Å; F183-N324 PolarHBondContact N-OD1 2.88Å; F183-L327 HydrophobicContact CD2-CD1 3.51Å; F183-L327 HydrophobicContact CE2-CD1 3.59Å; F183-L327 HydrophobicContact CG-CD1 4.47Å
184	F	98.9	Very high	98.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-41.3	-176.8	-73.7	-66.7	0	0	0	112.6	I88 H180 E181 R186 L187 H188 V194 I196 V214 I219	I88-F184 HydrophobicContact CD1-CZ 4.42Å; I88-F184 HydrophobicContact CG2-CE2 3.89Å; I88-F184 HydrophobicContact CG2-CZ 4Å; H180-F184 HydrophobicContact CB-CD2 4.4Å; H180-F184 HydrophobicContact CB-CE2 4.42Å; H180-F184 VanDerWaalsContact O-CD2 3.22Å; H180-F184 WeakPolarHBondContact O-CD2 3.45Å; H180-F184 PolarHBondContact O-N 2.94Å; E181-F184 PolarHBondContact O-N 3.1Å; F184-R186 PolarHBondContact O-N 3.17Å; F184-L187 PolarHBondContact O-N 3.49Å; F184-H188 WeakPolarHBondContact O-CB 3.22Å; F184-H188 PolarHBondContact O-N 2.79Å; F184-V194 HydrophobicContact CE1-CG1 4.37Å; F184-I196 HydrophobicContact CE1-CD1 4.13Å; F184-I196 HydrophobicContact CZ-CD1 4.29Å; F184-V214 HydrophobicContact CB-CB 3.71Å; F184-V214 HydrophobicContact CB-CG1 4.05Å; F184-V214 HydrophobicContact CD2-CB 3.79Å; F184-V214 HydrophobicContact CD2-CG1 4.19Å; F184-V214 HydrophobicContact CD2-CG2 3.73Å; F184-V214 HydrophobicContact CE2-CG2 4.17Å; F184-V214 HydrophobicContact CG-CB 3.9Å; F184-V214 HydrophobicContact CG-CG1 4.49Å; F184-V214 HydrophobicContact CG-CG2 4.23Å; F184-I219 HydrophobicContact CD1-CD1 3.59Å; F184-I219 HydrophobicContact CE1-CD1 3.9Å; F184-I219 HydrophobicContact CG-CD1 4.47Å
185	H	98.6	Very high	98.6	Very high	75 Å²	75	45.7 Å²	45.7	35%	0.347	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-42.4	179.9	-73.7	32.4	0	0	0	111.7	E181 H188 Q189 H216	E181-H185 WeakPolarHBondContact O-CB 3.39Å; E181-H185 VanDerWaalsContact O-CG 3.26Å; E181-H185 PolarHBondContact O-N 2.88Å; E181-H185 PolarHBondContact O-ND1 2.97Å; H185-H188 PolarHBondContact O-N 3.42Å; H185-Q189 WeakPolarHBondContact O-CB 3.4Å; H185-Q189 WeakPolarHBondContact O-CG 3.31Å; H185-Q189 PolarHBondContact O-N 2.87Å; H185-H216 AromaticContact CE1-CE1 3.91Å; H185-H216 AromaticContact CE1-NE2 3.62Å; H185-H216 AromaticContact ND1-CE1 3.92Å; H185-H216 AromaticContact ND1-NE2 3.22Å; H185-H216 PolarHBondContact ND1-NE2 3.43Å
186	R	98.8	Very high	98.6	Very high	26 Å²	26	43.2 Å²	43.2	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-43.8	178.7	-176.6	-170.9	-64.6	-96.2	0.4	111.7	Q182 F184 H188 Q189 H190 Q328 L331	Q182-R186 VanDerWaalsContact NE2-NH2 3.18Å; Q182-R186 WeakPolarHBondContact O-CB 3.38Å; Q182-R186 PolarHBondContact O-N 3.31Å; F184-R186 PolarHBondContact O-N 3.17Å; R186-H188 VanDerWaalsContact C-N 3.31Å; R186-Q189 PolarHBondContact O-N 2.75Å; R186-H190 PolarHBondContact O-N 2.94Å; R186-H190 PolarHBondContact O-ND1 3.34Å; R186-Q328 VanDerWaalsContact CZ-OE1 3.22Å; R186-L331 HydrophobicContact CG-CD1 3.79Å
187	L	98.8	Very high	98.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-43.5	176.9	-68.2	166.4	0	0	0	110.6	V80 F183 F184 H190 N191 V192 V194 L327 L331	V80-L187 HydrophobicContact CG2-CD1 4.05Å; V80-L187 HydrophobicContact CG2-CD2 3.64Å; F183-L187 HydrophobicContact CD1-CD1 3.76Å; F183-L187 HydrophobicContact CD2-CD1 4.28Å; F183-L187 HydrophobicContact CE1-CD1 3.47Å; F183-L187 VanDerWaalsContact CE1-CD1 3.47Å; F183-L187 HydrophobicContact CE2-CD1 4.03Å; F183-L187 HydrophobicContact CG-CD1 4.16Å; F183-L187 HydrophobicContact CZ-CD1 3.63Å; F183-L187 WeakPolarHBondContact O-CD1 3.43Å; F183-L187 VanDerWaalsContact O-CG 3.23Å; F183-L187 WeakPolarHBondContact O-CG 3.36Å; F183-L187 PolarHBondContact O-N 3.34Å; F184-L187 PolarHBondContact O-N 3.49Å; L187-H190 PolarHBondContact O-N 3.49Å; L187-N191 PolarHBondContact O-N 2.98Å; L187-N191 VanDerWaalsContact O-N 3.13Å; L187-V192 HydrophobicContact CB-CB 4.25Å; L187-V192 HydrophobicContact CD2-CB 3.76Å; L187-V192 HydrophobicContact CD2-CG1 3.48Å; L187-V192 VanDerWaalsContact CD2-CG1 3.48Å; L187-V192 HydrophobicContact CD2-CG2 4.28Å; L187-V192 PolarHBondContact O-N 3.21Å; L187-V194 HydrophobicContact CB-CG2 4.04Å; L187-V194 HydrophobicContact CD1-CG2 3.77Å; L187-V194 HydrophobicContact CG-CG2 4.4Å; L187-L327 HydrophobicContact CD1-CD1 4.27Å; L187-L327 HydrophobicContact CD2-CD1 3.93Å; L187-L327 HydrophobicContact CD2-CD2 3.83Å; L187-L327 HydrophobicContact CG-CD1 4.03Å; L187-L331 HydrophobicContact CD2-CD1 4.28Å
188	H	98.7	Very high	98.6	Very high	71 Å²	71	42.5 Å²	42.5	33%	0.329	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-45.8	176.4	-178.1	49.8	0	0	0	112.7	F184 H185 R186 H190 N191 H216 N218	F184-H188 WeakPolarHBondContact O-CB 3.22Å; F184-H188 PolarHBondContact O-N 2.79Å; H185-H188 PolarHBondContact O-N 3.42Å; R186-H188 VanDerWaalsContact C-N 3.31Å; H188-H190 PolarHBondContact O-N 3.29Å; H188-H190 VanDerWaalsContact O-N 3.17Å; H188-N191 PolarHBondContact O-N 3.29Å; H188-H216 HydrophobicContact CB-CB 3.92Å; H188-H216 AromaticContact CD2-CG 3.75Å; H188-H216 AromaticContact CD2-ND1 3.74Å; H188-H216 AromaticContact CG-CD2 3.89Å; H188-H216 AromaticContact CG-CG 3.55Å; H188-N218 WeakPolarHBondContact CB-OD1 3.36Å; H188-N218 PolarHBondContact ND1-OD1 2.88Å
189	Q	98.5	Very high	98.5	Very high	146 Å²	146	37.2 Å²	37.2	68%	0.682	19%	0.185	S	C	*	.	H	α-helix	trans	-56.4	-32.4	178.3	-78.3	171.1	-10.4	0	0	113.2	H185 R186	H185-Q189 WeakPolarHBondContact O-CB 3.4Å; H185-Q189 WeakPolarHBondContact O-CG 3.31Å; H185-Q189 PolarHBondContact O-N 2.87Å; R186-Q189 PolarHBondContact O-N 2.75Å
190	H	98.6	Very high	98.5	Very high	69 Å²	69	36.1 Å²	36.1	32%	0.319	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.2	179.4	-62.9	80.9	0	0	0	112.9	A75 R186 L187 H188 V192 L331	A75-H190 HydrophobicContact CB-CB 4.01Å; R186-H190 PolarHBondContact O-N 2.94Å; R186-H190 PolarHBondContact O-ND1 3.34Å; L187-H190 PolarHBondContact O-N 3.49Å; H188-H190 PolarHBondContact O-N 3.29Å; H188-H190 VanDerWaalsContact O-N 3.17Å; H190-V192 HydrophobicContact CB-CG2 4.07Å; H190-V192 PolarHBondContact O-N 3.17Å; H190-L331 HydrophobicContact CB-CD1 4.33Å; H190-L331 HydrophobicContact CB-CD2 4.09Å
191	N	97.8	Very high	98.5	Very high	104 Å²	104	34.5 Å²	34.5	56%	0.556	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	39	-177.5	-163	48.1	0	0	0	113.3	L187 H188 P193	L187-N191 PolarHBondContact O-N 2.98Å; L187-N191 VanDerWaalsContact O-N 3.13Å; H188-N191 PolarHBondContact O-N 3.29Å; N191-P193 WeakPolarHBondContact O-CD 3.5Å
192	V	98.6	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.			trans	-78	121.8	176.2	171.1	0	0	0	0	108.6	A75 L78 V80 L187 H190 V194 N218 L331	A75-V192 HydrophobicContact CB-CG2 4.41Å; L78-V192 HydrophobicContact CB-CG1 4.41Å; L78-V192 HydrophobicContact CB-CG2 4.49Å; L78-V192 HydrophobicContact CD2-CG1 4.1Å; L78-V192 HydrophobicContact CD2-CG2 4.25Å; L78-V192 HydrophobicContact CG-CG1 4.01Å; L78-V192 WeakPolarHBondContact O-CG1 3.35Å; V80-V192 HydrophobicContact CG2-CG1 4.21Å; L187-V192 HydrophobicContact CB-CB 4.25Å; L187-V192 HydrophobicContact CD2-CB 3.76Å; L187-V192 HydrophobicContact CD2-CG1 3.48Å; L187-V192 VanDerWaalsContact CD2-CG1 3.48Å; L187-V192 HydrophobicContact CD2-CG2 4.28Å; L187-V192 PolarHBondContact O-N 3.21Å; H190-V192 HydrophobicContact CB-CG2 4.07Å; H190-V192 PolarHBondContact O-N 3.17Å; V192-V194 PolarHBondContact O-N 2.92Å; V192-N218 PolarHBondContact O-ND2 2.75Å; V192-L331 HydrophobicContact CG2-CD1 4.22Å; V192-L331 HydrophobicContact CG2-CD2 3.78Å
193	P	98.6	Very high	98.5	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.071	12%	0.124	C	C	.	.			trans	-61.4	134.4	176.3	-21.4	32.5	0	0	0	111.5	Q79 V80 N191 L261 Y264	Q79-P193 HydrophobicContact CB-CB 4.32Å; V80-P193 PolarHBondContact N-O 3.35Å; N191-P193 WeakPolarHBondContact O-CD 3.5Å; P193-L261 HydrophobicContact CB-CD1 3.61Å; P193-L261 HydrophobicContact CB-CD2 4.22Å; P193-L261 HydrophobicContact CG-CD1 4Å; P193-L261 HydrophobicContact CG-CD2 3.78Å; P193-Y264 VanDerWaalsContact CD-CE1 3.44Å; P193-Y264 HydrophobicContact CG-CD1 4.13Å; P193-Y264 HydrophobicContact CG-CD2 4.05Å; P193-Y264 HydrophobicContact CG-CE1 3.86Å; P193-Y264 HydrophobicContact CG-CE2 3.81Å; P193-Y264 HydrophobicContact CG-CG 4.18Å
194	V	98.8	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.3	175.7	-175.3	0	0	0	0	108.8	V80 T82 F184 L187 V192 I196 N218 I219 K220	V80-V194 HydrophobicContact CB-CG1 4.37Å; V80-V194 HydrophobicContact CB-CG2 4.33Å; V80-V194 HydrophobicContact CG1-CG1 4.27Å; V80-V194 CarbonylContact O-C 3.56Å; V80-V194 WeakPolarHBondContact O-CA 3.14Å; T82-V194 HydrophobicContact CG2-CG1 4.33Å; F184-V194 HydrophobicContact CE1-CG1 4.37Å; L187-V194 HydrophobicContact CB-CG2 4.04Å; L187-V194 HydrophobicContact CD1-CG2 3.77Å; L187-V194 HydrophobicContact CG-CG2 4.4Å; V192-V194 PolarHBondContact O-N 2.92Å; V194-I196 HydrophobicContact CG1-CG1 4.06Å; V194-N218 PolarHBondContact N-O 3.37Å; V194-I219 HydrophobicContact CB-CG1 4.12Å; V194-I219 CarbonylContact O-C 3.53Å; V194-I219 WeakPolarHBondContact O-CA 3.44Å; V194-K220 PolarHBondContact O-N 2.78Å
195	F	98.6	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.3	175.2	-171.8	-100.4	0	0	0	109.1	V80 I81 T82 F197 K220 V222 N254 Y257 F258	V80-F195 PolarHBondContact O-N 3.29Å; I81-F195 WeakPolarHBondContact CA-O 3.32Å; I81-F195 HydrophobicContact CG1-CB 4.3Å; I81-F195 HydrophobicContact CG2-CD1 4.26Å; T82-F195 PolarHBondContact N-O 3.38Å; F195-F197 HydrophobicContact CD1-CB 3.84Å; F195-F197 HydrophobicContact CD1-CG 4.47Å; F195-F197 HydrophobicContact CE1-CB 3.59Å; F195-F197 AromaticContact CE1-CD2 3.73Å; F195-F197 HydrophobicContact CE1-CD2 3.73Å; F195-F197 AromaticContact CE1-CG 3.75Å; F195-F197 HydrophobicContact CE1-CG 3.75Å; F195-K220 WeakPolarHBondContact CA-O 3.23Å; F195-K220 HydrophobicContact CD2-CB 4.1Å; F195-K220 HydrophobicContact CD2-CG 3.83Å; F195-K220 HydrophobicContact CE2-CG 3.99Å; F195-V222 HydrophobicContact CD2-CG2 4.44Å; F195-V222 HydrophobicContact CE1-CB 4.46Å; F195-V222 HydrophobicContact CE1-CG2 4.47Å; F195-V222 HydrophobicContact CE2-CB 4.2Å; F195-V222 HydrophobicContact CE2-CG2 3.39Å; F195-V222 HydrophobicContact CZ-CB 3.79Å; F195-V222 HydrophobicContact CZ-CG1 4.39Å; F195-V222 HydrophobicContact CZ-CG2 3.41Å; F195-V222 VanDerWaalsContact CZ-CG2 3.41Å; F195-N254 HydrophobicContact CE2-CB 4.35Å; F195-N254 HydrophobicContact CZ-CB 4.1Å; F195-Y257 HydrophobicContact CB-CE1 4.04Å; F195-Y257 AromaticContact CD2-CD1 3.75Å; F195-Y257 HydrophobicContact CD2-CD1 3.75Å; F195-Y257 AromaticContact CD2-CE1 3.36Å; F195-Y257 HydrophobicContact CD2-CE1 3.36Å; F195-Y257 AromaticContact CD2-CZ 3.84Å; F195-Y257 AromaticContact CE2-CD1 3.98Å; F195-Y257 HydrophobicContact CE2-CD1 3.98Å; F195-Y257 HydrophobicContact CE2-CE1 4.08Å; F195-Y257 AromaticContact CG-CE1 3.99Å; F195-Y257 HydrophobicContact CG-CE1 3.99Å; F195-F258 HydrophobicContact CD1-CZ 4.01Å; F195-F258 AromaticContact CE1-CZ 3.93Å; F195-F258 HydrophobicContact CE1-CZ 3.93Å; F195-F258 HydrophobicContact CE2-CZ 4.45Å; F195-F258 HydrophobicContact CG-CE1 4.47Å; F195-F258 HydrophobicContact CG-CZ 4.28Å; F195-F258 HydrophobicContact CZ-CZ 4.16Å
196	I	98.7	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113	174.9	-54.6	179.8	0	0	0	107.7	T82 F84 F184 V194 L205 I209 I219 K220 V221 V222	T82-I196 HydrophobicContact CG2-CB 4.4Å; T82-I196 HydrophobicContact CG2-CG1 3.88Å; T82-I196 CarbonylContact O-C 3.54Å; T82-I196 WeakPolarHBondContact O-CA 3.37Å; F84-I196 HydrophobicContact CB-CG2 3.93Å; F84-I196 HydrophobicContact CD2-CG2 4.2Å; F184-I196 HydrophobicContact CE1-CD1 4.13Å; F184-I196 HydrophobicContact CZ-CD1 4.29Å; V194-I196 HydrophobicContact CG1-CG1 4.06Å; I196-L205 HydrophobicContact CD1-CD2 4.46Å; I196-L205 HydrophobicContact CG2-CD1 3.84Å; I196-L205 HydrophobicContact CG2-CD2 4.4Å; I196-I209 HydrophobicContact CD1-CD1 4.25Å; I196-I219 HydrophobicContact CD1-CG2 3.58Å; I196-I219 HydrophobicContact CG1-CG2 3.92Å; I196-K220 PolarHBondContact N-O 2.82Å; I196-V221 HydrophobicContact CB-CG2 4.47Å; I196-V222 PolarHBondContact O-N 2.86Å
197	F	98.1	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	95.5	-176.5	-169	5.6	0	0	0	110.6	T82 F195 V222 I242 K247 A251 M279	T82-F197 PolarHBondContact O-N 3.01Å; F195-F197 HydrophobicContact CD1-CB 3.84Å; F195-F197 HydrophobicContact CD1-CG 4.47Å; F195-F197 HydrophobicContact CE1-CB 3.59Å; F195-F197 AromaticContact CE1-CD2 3.73Å; F195-F197 HydrophobicContact CE1-CD2 3.73Å; F195-F197 AromaticContact CE1-CG 3.75Å; F195-F197 HydrophobicContact CE1-CG 3.75Å; F197-V222 WeakPolarHBondContact CA-O 3.48Å; F197-V222 HydrophobicContact CD1-CB 4.22Å; F197-V222 HydrophobicContact CD1-CG1 3.93Å; F197-V222 HydrophobicContact CE1-CG1 3.97Å; F197-I242 HydrophobicContact CD1-CG2 4.4Å; F197-I242 HydrophobicContact CE1-CD1 3.88Å; F197-I242 HydrophobicContact CE1-CG1 4.16Å; F197-I242 HydrophobicContact CE1-CG2 3.68Å; F197-I242 HydrophobicContact CZ-CG2 4.43Å; F197-K247 HydrophobicContact CD2-CB 4.37Å; F197-K247 HydrophobicContact CD2-CD 4.44Å; F197-K247 HydrophobicContact CE1-CG 4.38Å; F197-K247 HydrophobicContact CE2-CB 3.74Å; F197-K247 HydrophobicContact CE2-CG 4.26Å; F197-K247 WeakPolarHBondContact CE2-O 3Å; F197-K247 HydrophobicContact CZ-CB 3.87Å; F197-K247 HydrophobicContact CZ-CG 4.09Å; F197-K247 VanDerWaalsContact CZ-O 3.29Å; F197-K247 WeakPolarHBondContact CZ-O 3.4Å; F197-K247 PolarHBondContact O-NZ 3.46Å; F197-A251 HydrophobicContact CE2-CB 4.12Å; F197-M279 HydrophobicContact CB-CG 4.4Å; F197-M279 HydrophobicContact CB-SD 3.9Å; F197-M279 HydrophobicContact CD2-CB 3.92Å; F197-M279 HydrophobicContact CD2-CG 3.69Å; F197-M279 HydrophobicContact CD2-SD 4.27Å; F197-M279 HydrophobicContact CE2-CG 4.32Å; F197-M279 HydrophobicContact CG-CG 4.32Å; F197-M279 HydrophobicContact CG-SD 4.34Å
198	S	98.2	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.6	-171.2	178.5	0	0	0	0	111.9	G200 V222 S223	S198-G200 PolarHBondContact O-N 3.12Å; S198-G200 PolarHBondContact OG-N 2.83Å; S198-V222 PolarHBondContact N-O 3.42Å; S198-S223 WeakPolarHBondContact O-CA 3.42Å; S198-S223 WeakPolarHBondContact O-CB 3.31Å; S198-S223 PolarHBondContact O-OG 3.04Å
199	A	97.5	Very high	98.5	Very high	9 Å²	9	22.5 Å²	22.5	7%	0.074	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-1.9	166.1	0	0	0	0	0	113.1	Y148 N224 I242	Y148-A199 VanDerWaalsContact CE1-O 3.28Å; Y148-A199 WeakPolarHBondContact CE1-O 3.35Å; A199-N224 PolarHBondContact O-ND2 3.1Å; A199-I242 HydrophobicContact CB-CG2 4.18Å
200	G	97.6	Very high	98.5	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.021	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-147.9	179.5	0	0	0	0	0	114.2	S198 S223 N224	S198-G200 PolarHBondContact O-N 3.12Å; S198-G200 PolarHBondContact OG-N 2.83Å; G200-S223 PolarHBondContact O-OG 2.83Å; G200-S223 VanDerWaalsContact O-OG 3.13Å; G200-N224 VanDerWaalsContact O-CB 3.32Å; G200-N224 WeakPolarHBondContact O-CB 3.37Å; G200-N224 PolarHBondContact O-ND2 2.6Å
201	L	98.5	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.9	179.6	-58.3	176.7	0	0	0	110.4	L101 I105 L155 D203 V204 L205 M226 F237	L101-L201 HydrophobicContact CB-CB 4.34Å; I105-L201 HydrophobicContact CB-CD1 4.19Å; I105-L201 HydrophobicContact CG1-CD1 3.53Å; L155-L201 HydrophobicContact CD1-CD1 4.45Å; L201-D203 PolarHBondContact O-N 3.43Å; L201-V204 HydrophobicContact CB-CB 4.08Å; L201-V204 HydrophobicContact CB-CG2 3.8Å; L201-V204 HydrophobicContact CD1-CG2 4.08Å; L201-V204 PolarHBondContact O-N 3.13Å; L201-L205 PolarHBondContact O-N 2.93Å; L201-M226 HydrophobicContact CB-CE 4.44Å; L201-M226 HydrophobicContact CD1-CE 3.79Å; L201-M226 HydrophobicContact CD2-CE 4.31Å; L201-M226 HydrophobicContact CG-CE 4.43Å; L201-F237 HydrophobicContact CD2-CE1 3.54Å; L201-F237 HydrophobicContact CD2-CZ 3.89Å
202	G	98.5	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-47.4	-172	0	0	0	0	0	114.2	V204 L205 E206 N224	G202-V204 VanDerWaalsContact C-N 3.28Å; G202-V204 PolarHBondContact O-N 2.97Å; G202-L205 WeakPolarHBondContact O-CB 3.28Å; G202-L205 PolarHBondContact O-N 3.4Å; G202-E206 WeakPolarHBondContact O-CG 3.42Å; G202-E206 PolarHBondContact O-N 2.93Å; G202-N224 PolarHBondContact N-O 3.03Å
203	D	98.7	Very high	98.5	Very high	18 Å²	18	17.6 Å²	17.6	10%	0.096	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-34.8	-179.7	-55.5	-110.5	0	0	0	112.2	L165 L201 E207 F225 M226	L165-D203 HydrophobicContact CD1-CB 3.86Å; L201-D203 PolarHBondContact O-N 3.43Å; D203-E207 WeakPolarHBondContact O-CB 3.5Å; D203-E207 PolarHBondContact O-N 3.48Å; D203-F225 WeakPolarHBondContact OD2-CA 3.49Å; D203-M226 WeakPolarHBondContact OD2-CB 3.32Å; D203-M226 PolarHBondContact OD2-N 3.42Å
204	V	98.8	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.4	-41.4	176.5	-175.3	0	0	0	0	110.1	L101 V104 I105 V169 L201 G202 E207 V208 M226	L101-V204 HydrophobicContact CD2-CB 4.09Å; L101-V204 HydrophobicContact CD2-CG1 3.8Å; V104-V204 HydrophobicContact CB-CG1 4.05Å; V104-V204 HydrophobicContact CG1-CG1 3.81Å; I105-V204 HydrophobicContact CD1-CG2 3.77Å; I105-V204 HydrophobicContact CG1-CG2 3.84Å; V169-V204 HydrophobicContact CG2-CG1 3.83Å; L201-V204 HydrophobicContact CB-CB 4.08Å; L201-V204 HydrophobicContact CB-CG2 3.8Å; L201-V204 HydrophobicContact CD1-CG2 4.08Å; L201-V204 PolarHBondContact O-N 3.13Å; G202-V204 VanDerWaalsContact C-N 3.28Å; G202-V204 PolarHBondContact O-N 2.97Å; V204-E207 PolarHBondContact O-N 2.87Å; V204-V208 VanDerWaalsContact O-CG2 3.26Å; V204-V208 WeakPolarHBondContact O-CG2 3.29Å; V204-V208 PolarHBondContact O-N 3.31Å; V204-M226 HydrophobicContact CG2-CE 4.34Å
205	L	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-54.5	176.6	-170.6	166.3	0	0	0	110.7	F84 L101 I196 L201 G202 E207 V208 I209 V221	F84-L205 HydrophobicContact CB-CD1 3.74Å; F84-L205 HydrophobicContact CB-CG 4.4Å; F84-L205 HydrophobicContact CD1-CD1 4.19Å; F84-L205 HydrophobicContact CD1-CG 4.05Å; F84-L205 HydrophobicContact CD2-CD1 3.99Å; F84-L205 HydrophobicContact CD2-CD2 4.13Å; F84-L205 HydrophobicContact CD2-CG 3.79Å; F84-L205 HydrophobicContact CE1-CG 4.25Å; F84-L205 HydrophobicContact CE2-CD2 4.22Å; F84-L205 HydrophobicContact CE2-CG 4.01Å; F84-L205 HydrophobicContact CG-CD1 3.69Å; F84-L205 HydrophobicContact CG-CG 3.79Å; F84-L205 HydrophobicContact CZ-CG 4.22Å; L101-L205 HydrophobicContact CD1-CB 3.68Å; L101-L205 HydrophobicContact CD1-CD1 3.91Å; L101-L205 HydrophobicContact CD1-CG 4.03Å; L101-L205 HydrophobicContact CD2-CB 3.98Å; L101-L205 HydrophobicContact CG-CB 4.5Å; I196-L205 HydrophobicContact CD1-CD2 4.46Å; I196-L205 HydrophobicContact CG2-CD1 3.84Å; I196-L205 HydrophobicContact CG2-CD2 4.4Å; L201-L205 PolarHBondContact O-N 2.93Å; G202-L205 WeakPolarHBondContact O-CB 3.28Å; G202-L205 PolarHBondContact O-N 3.4Å; L205-E207 VanDerWaalsContact C-N 3.25Å; L205-E207 PolarHBondContact O-N 2.99Å; L205-V208 WeakPolarHBondContact O-CB 3.37Å; L205-V208 PolarHBondContact O-N 2.73Å; L205-V208 VanDerWaalsContact O-N 3.09Å; L205-I209 HydrophobicContact CD2-CD1 3.82Å; L205-I209 HydrophobicContact CD2-CG1 4.16Å; L205-I209 HydrophobicContact CD2-CG2 4.4Å; L205-I209 WeakPolarHBondContact O-CG1 3.41Å; L205-I209 PolarHBondContact O-N 3.49Å; L205-V221 HydrophobicContact CD1-CG1 4.04Å; L205-V221 HydrophobicContact CD2-CG1 3.97Å; L205-V221 HydrophobicContact CD2-CG2 3.89Å
206	E	98.8	Very high	98.5	Very high	59 Å²	59	22.4 Å²	22.4	28%	0.276	13%	0.13	S	C	.	.	H	α-helix	trans	-56.3	-42.3	180	-72.5	-168.1	144.3	0	0	111.6	G202 I209 S210 Y215 V221 F225	G202-E206 WeakPolarHBondContact O-CG 3.42Å; G202-E206 PolarHBondContact O-N 2.93Å; E206-I209 WeakPolarHBondContact O-CG1 3.27Å; E206-S210 WeakPolarHBondContact O-CB 3.4Å; E206-S210 PolarHBondContact O-N 3Å; E206-Y215 HydrophobicContact CB-CD1 4.38Å; E206-Y215 HydrophobicContact CB-CE1 3.8Å; E206-Y215 HydrophobicContact CG-CE1 3.66Å; E206-Y215 PolarHBondContact OE1-OH 3.01Å; E206-V221 HydrophobicContact CG-CB 4.43Å; E206-V221 HydrophobicContact CG-CG1 4.45Å; E206-V221 HydrophobicContact CG-CG2 4.23Å; E206-F225 HydrophobicContact CG-CE1 4.21Å; E206-F225 HydrophobicContact CG-CZ 4.46Å
207	E	98.8	Very high	98.5	Very high	45 Å²	45	28.1 Å²	28.1	21%	0.21	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-41	177.1	-173.5	62	-150.8	0	0	112	P166 V169 D203 V204 L205 S210 Q211	P166-E207 WeakPolarHBondContact CA-OE1 3.25Å; P166-E207 HydrophobicContact CB-CG 4.39Å; P166-E207 VanDerWaalsContact CB-OE1 3.31Å; P166-E207 WeakPolarHBondContact CB-OE1 3.31Å; P166-E207 HydrophobicContact CG-CG 4.48Å; V169-E207 HydrophobicContact CB-CG 3.92Å; V169-E207 HydrophobicContact CG1-CG 4.18Å; V169-E207 HydrophobicContact CG2-CB 4.03Å; V169-E207 HydrophobicContact CG2-CG 3.8Å; D203-E207 WeakPolarHBondContact O-CB 3.5Å; D203-E207 PolarHBondContact O-N 3.48Å; V204-E207 PolarHBondContact O-N 2.87Å; L205-E207 VanDerWaalsContact C-N 3.25Å; L205-E207 PolarHBondContact O-N 2.99Å; E207-S210 PolarHBondContact O-N 2.85Å; E207-Q211 HydrophobicContact CG-CG 4.49Å; E207-Q211 WeakPolarHBondContact O-CB 3.48Å; E207-Q211 WeakPolarHBondContact O-CG 3.46Å; E207-Q211 PolarHBondContact O-N 2.85Å; E207-Q211 WeakPolarHBondContact OE1-CG 3.44Å; E207-Q211 PolarHBondContact OE1-NE2 3.43Å
208	V	98.8	Very high	98.5	Very high	9 Å²	9	28.9 Å²	28.9	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-52.2	175.5	167.7	0	0	0	0	111.2	F84 L101 V169 L174 L176 V204 L205 S210 Q211 A212	F84-V208 HydrophobicContact CZ-CB 4.31Å; F84-V208 HydrophobicContact CZ-CG1 3.79Å; L101-V208 HydrophobicContact CD2-CG2 4.39Å; V169-V208 HydrophobicContact CG1-CB 4.37Å; V169-V208 HydrophobicContact CG1-CG2 3.59Å; V169-V208 HydrophobicContact CG2-CG2 4.3Å; L174-V208 HydrophobicContact CD1-CG2 4.13Å; L174-V208 HydrophobicContact CD2-CG1 3.56Å; L174-V208 HydrophobicContact CD2-CG2 4.13Å; L176-V208 HydrophobicContact CD1-CG1 4.46Å; L176-V208 HydrophobicContact CD2-CG1 3.9Å; L176-V208 HydrophobicContact CG-CG1 4.38Å; V204-V208 VanDerWaalsContact O-CG2 3.26Å; V204-V208 WeakPolarHBondContact O-CG2 3.29Å; V204-V208 PolarHBondContact O-N 3.31Å; L205-V208 WeakPolarHBondContact O-CB 3.37Å; L205-V208 PolarHBondContact O-N 2.73Å; L205-V208 VanDerWaalsContact O-N 3.09Å; V208-S210 VanDerWaalsContact C-N 3.3Å; V208-S210 PolarHBondContact O-N 3.27Å; V208-Q211 PolarHBondContact O-N 3.03Å; V208-A212 WeakPolarHBondContact O-CB 3.23Å; V208-A212 PolarHBondContact O-N 2.96Å
209	I	98.7	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.2	-25.8	-177.9	58.9	170	0	0	0	112.5	F84 I196 L205 E206 G213 V214 Y215 I219 V221	F84-I209 HydrophobicContact CE2-CG2 3.61Å; F84-I209 HydrophobicContact CZ-CG2 4.19Å; I196-I209 HydrophobicContact CD1-CD1 4.25Å; L205-I209 HydrophobicContact CD2-CD1 3.82Å; L205-I209 HydrophobicContact CD2-CG1 4.16Å; L205-I209 HydrophobicContact CD2-CG2 4.4Å; L205-I209 WeakPolarHBondContact O-CG1 3.41Å; L205-I209 PolarHBondContact O-N 3.49Å; E206-I209 WeakPolarHBondContact O-CG1 3.27Å; I209-G213 PolarHBondContact O-N 2.91Å; I209-V214 HydrophobicContact CB-CG2 3.94Å; I209-V214 HydrophobicContact CG2-CG2 4.25Å; I209-V214 WeakPolarHBondContact O-CG2 3.33Å; I209-V214 PolarHBondContact O-N 3.04Å; I209-Y215 HydrophobicContact CD1-CD1 4.03Å; I209-Y215 HydrophobicContact CD1-CD2 3.51Å; I209-Y215 HydrophobicContact CD1-CE1 4.41Å; I209-Y215 HydrophobicContact CD1-CE2 3.94Å; I209-Y215 HydrophobicContact CD1-CG 3.56Å; I209-Y215 HydrophobicContact CG1-CD1 4.05Å; I209-Y215 HydrophobicContact CG1-CD2 4.29Å; I209-Y215 HydrophobicContact CG1-CG 3.8Å; I209-Y215 PolarHBondContact O-N 3.33Å; I209-Y215 VanDerWaalsContact O-N 3.1Å; I209-I219 HydrophobicContact CD1-CG2 4.44Å; I209-V221 HydrophobicContact CD1-CG2 4.21Å
210	S	98.7	Very high	98.5	Very high	65 Å²	65	33.5 Å²	33.5	46%	0.455	19%	0.19	S	C	.	.	H	α-helix	trans	-68.8	-49.9	172.1	177.2	0	0	0	0	111.4	E206 E207 V208 A212 G213	E206-S210 WeakPolarHBondContact O-CB 3.4Å; E206-S210 PolarHBondContact O-N 3Å; E207-S210 PolarHBondContact O-N 2.85Å; V208-S210 VanDerWaalsContact C-N 3.3Å; V208-S210 PolarHBondContact O-N 3.27Å; S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 3.4Å; S210-G213 PolarHBondContact O-N 3.04Å
211	Q	98.6	Very high	98.6	Very high	74 Å²	74	33.7 Å²	33.7	35%	0.346	19%	0.19	S	C	.	.	H	α-helix	trans	-63.7	-31.9	177.3	-71.1	-170.5	29.4	0	0	112.5	P166 E207 V208 G213	P166-Q211 PolarHBondContact O-NE2 3.22Å; E207-Q211 HydrophobicContact CG-CG 4.49Å; E207-Q211 WeakPolarHBondContact O-CB 3.48Å; E207-Q211 WeakPolarHBondContact O-CG 3.46Å; E207-Q211 PolarHBondContact O-N 2.85Å; E207-Q211 WeakPolarHBondContact OE1-CG 3.44Å; E207-Q211 PolarHBondContact OE1-NE2 3.43Å; V208-Q211 PolarHBondContact O-N 3.03Å; Q211-G213 PolarHBondContact O-N 2.99Å
212	A	98.4	Very high	98.5	Very high	31 Å²	31	34.5 Å²	34.5	26%	0.256	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.1	172.5	0	0	0	0	0	113.9	L176 V208 S210 V214	L176-A212 HydrophobicContact CD1-CB 3.75Å; V208-A212 WeakPolarHBondContact O-CB 3.23Å; V208-A212 PolarHBondContact O-N 2.96Å; S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 3.4Å; A212-V214 VanDerWaalsContact C-N 3.27Å; A212-V214 HydrophobicContact CB-CG2 4.01Å; A212-V214 PolarHBondContact O-N 3.04Å
213	G	98.5	Very high	98.5	Very high	46 Å²	46	34.9 Å²	34.9	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	18.9	178.1	0	0	0	0	0	114.5	I209 S210 Q211	I209-G213 PolarHBondContact O-N 2.91Å; S210-G213 PolarHBondContact O-N 3.04Å; Q211-G213 PolarHBondContact O-N 2.99Å
214	V	98.6	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.			trans	-114.8	2.2	-175.3	-62.7	0	0	0	0	113.7	E181 F184 I209 A212 H216 I219	E181-V214 HydrophobicContact CG-CG1 4.41Å; F184-V214 HydrophobicContact CB-CB 3.71Å; F184-V214 HydrophobicContact CB-CG1 4.05Å; F184-V214 HydrophobicContact CD2-CB 3.79Å; F184-V214 HydrophobicContact CD2-CG1 4.19Å; F184-V214 HydrophobicContact CD2-CG2 3.73Å; F184-V214 HydrophobicContact CE2-CG2 4.17Å; F184-V214 HydrophobicContact CG-CB 3.9Å; F184-V214 HydrophobicContact CG-CG1 4.49Å; F184-V214 HydrophobicContact CG-CG2 4.23Å; I209-V214 HydrophobicContact CB-CG2 3.94Å; I209-V214 HydrophobicContact CG2-CG2 4.25Å; I209-V214 WeakPolarHBondContact O-CG2 3.33Å; I209-V214 PolarHBondContact O-N 3.04Å; A212-V214 VanDerWaalsContact C-N 3.27Å; A212-V214 HydrophobicContact CB-CG2 4.01Å; A212-V214 PolarHBondContact O-N 3.04Å; V214-H216 PolarHBondContact O-CD2 2.91Å; V214-H216 PolarHBondContact O-N 3.46Å; V214-I219 WeakPolarHBondContact O-CD1 3.41Å
215	Y	98.6	Very high	98.5	Very high	85 Å²	85	36.3 Å²	36.3	33%	0.333	20%	0.204	S	C	.	.			trans	-77.1	84.4	175.9	-161	-177.6	0	0	0	111.7	E206 I209 I219 V221	E206-Y215 HydrophobicContact CB-CD1 4.38Å; E206-Y215 HydrophobicContact CB-CE1 3.8Å; E206-Y215 HydrophobicContact CG-CE1 3.66Å; E206-Y215 PolarHBondContact OE1-OH 3.01Å; I209-Y215 HydrophobicContact CD1-CD1 4.03Å; I209-Y215 HydrophobicContact CD1-CD2 3.51Å; I209-Y215 HydrophobicContact CD1-CE1 4.41Å; I209-Y215 HydrophobicContact CD1-CE2 3.94Å; I209-Y215 HydrophobicContact CD1-CG 3.56Å; I209-Y215 HydrophobicContact CG1-CD1 4.05Å; I209-Y215 HydrophobicContact CG1-CD2 4.29Å; I209-Y215 HydrophobicContact CG1-CG 3.8Å; I209-Y215 PolarHBondContact O-N 3.33Å; I209-Y215 VanDerWaalsContact O-N 3.1Å; Y215-I219 HydrophobicContact CD2-CB 4.11Å; Y215-I219 HydrophobicContact CD2-CD1 4.45Å; Y215-I219 HydrophobicContact CD2-CG2 4.27Å; Y215-I219 HydrophobicContact CE2-CB 4.08Å; Y215-I219 HydrophobicContact CE2-CG2 4.07Å; Y215-V221 HydrophobicContact CE2-CG2 4.2Å
216	H	98.6	Very high	98.5	Very high	28 Å²	28	36.3 Å²	36.3	13%	0.13	20%	0.204	C	C	.	.			trans	-93.8	158.7	-177	-58	-54	0	0	0	113.2	H185 H188 V214 N218 I219	H185-H216 AromaticContact CE1-CE1 3.91Å; H185-H216 AromaticContact CE1-NE2 3.62Å; H185-H216 AromaticContact ND1-CE1 3.92Å; H185-H216 AromaticContact ND1-NE2 3.22Å; H185-H216 PolarHBondContact ND1-NE2 3.43Å; H188-H216 HydrophobicContact CB-CB 3.92Å; H188-H216 AromaticContact CD2-CG 3.75Å; H188-H216 AromaticContact CD2-ND1 3.74Å; H188-H216 AromaticContact CG-CD2 3.89Å; H188-H216 AromaticContact CG-CG 3.55Å; V214-H216 PolarHBondContact O-CD2 2.91Å; V214-H216 PolarHBondContact O-N 3.46Å; H216-N218 WeakPolarHBondContact CB-OD1 3.25Å; H216-N218 PolarHBondContact O-N 3Å; H216-N218 VanDerWaalsContact O-N 3.1Å; H216-I219 HydrophobicContact CB-CD1 4.42Å; H216-I219 HydrophobicContact CB-CG1 4.48Å; H216-I219 WeakPolarHBondContact O-CB 3.34Å; H216-I219 PolarHBondContact O-N 3.31Å
217	P	98.3	Very high	98.5	Very high	120 Å²	120	36 Å²	36	78%	0.779	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20	-178.8	-27.2	35.2	0	0	0	116.6	I219	P217-I219 PolarHBondContact O-N 3.45Å
218	N	98.4	Very high	98.4	Very high	15 Å²	15	35 Å²	35	8%	0.08	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.7	175.9	63	-58.5	0	0	0	113	H188 V192 V194 H216	H188-N218 WeakPolarHBondContact CB-OD1 3.36Å; H188-N218 PolarHBondContact ND1-OD1 2.88Å; V192-N218 PolarHBondContact O-ND2 2.75Å; V194-N218 PolarHBondContact N-O 3.37Å; H216-N218 WeakPolarHBondContact CB-OD1 3.25Å; H216-N218 PolarHBondContact O-N 3Å; H216-N218 VanDerWaalsContact O-N 3.1Å
219	I	98.6	Very high	98.4	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.9	-179.3	-55.6	-178.3	0	0	0	109.8	F184 V194 I196 I209 V214 Y215 H216 P217 V221	F184-I219 HydrophobicContact CD1-CD1 3.59Å; F184-I219 HydrophobicContact CE1-CD1 3.9Å; F184-I219 HydrophobicContact CG-CD1 4.47Å; V194-I219 HydrophobicContact CB-CG1 4.12Å; V194-I219 CarbonylContact O-C 3.53Å; V194-I219 WeakPolarHBondContact O-CA 3.44Å; I196-I219 HydrophobicContact CD1-CG2 3.58Å; I196-I219 HydrophobicContact CG1-CG2 3.92Å; I209-I219 HydrophobicContact CD1-CG2 4.44Å; V214-I219 WeakPolarHBondContact O-CD1 3.41Å; Y215-I219 HydrophobicContact CD2-CB 4.11Å; Y215-I219 HydrophobicContact CD2-CD1 4.45Å; Y215-I219 HydrophobicContact CD2-CG2 4.27Å; Y215-I219 HydrophobicContact CE2-CB 4.08Å; Y215-I219 HydrophobicContact CE2-CG2 4.07Å; H216-I219 HydrophobicContact CB-CD1 4.42Å; H216-I219 HydrophobicContact CB-CG1 4.48Å; H216-I219 WeakPolarHBondContact O-CB 3.34Å; H216-I219 PolarHBondContact O-N 3.31Å; P217-I219 PolarHBondContact O-N 3.45Å; I219-V221 HydrophobicContact CG2-CG2 4.2Å
220	K	98.1	Very high	98.3	Very high	94 Å²	94	45 Å²	45	41%	0.409	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.7	168	177.3	61.9	-179.5	176.5	0	109.2	V194 F195 I196 V222 Y257	V194-K220 PolarHBondContact O-N 2.78Å; F195-K220 WeakPolarHBondContact CA-O 3.23Å; F195-K220 HydrophobicContact CD2-CB 4.1Å; F195-K220 HydrophobicContact CD2-CG 3.83Å; F195-K220 HydrophobicContact CE2-CG 3.99Å; I196-K220 PolarHBondContact N-O 2.82Å; K220-V222 HydrophobicContact CG-CG2 4.46Å; K220-Y257 HydrophobicContact CB-CE2 3.72Å; K220-Y257 HydrophobicContact CG-CD2 4.18Å; K220-Y257 HydrophobicContact CG-CE2 3.87Å
221	V	98.3	Very high	98.3	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.5	173.8	-177.8	0	0	0	0	110.1	I196 L205 E206 I209 Y215 I219 F225	I196-V221 HydrophobicContact CB-CG2 4.47Å; L205-V221 HydrophobicContact CD1-CG1 4.04Å; L205-V221 HydrophobicContact CD2-CG1 3.97Å; L205-V221 HydrophobicContact CD2-CG2 3.89Å; E206-V221 HydrophobicContact CG-CB 4.43Å; E206-V221 HydrophobicContact CG-CG1 4.45Å; E206-V221 HydrophobicContact CG-CG2 4.23Å; I209-V221 HydrophobicContact CD1-CG2 4.21Å; Y215-V221 HydrophobicContact CE2-CG2 4.2Å; I219-V221 HydrophobicContact CG2-CG2 4.2Å; V221-F225 HydrophobicContact CB-CZ 4.28Å; V221-F225 HydrophobicContact CG1-CE2 4.4Å; V221-F225 HydrophobicContact CG1-CZ 3.9Å
222	V	97.9	Very high	98.2	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.7	168.6	174.5	0	0	0	0	108.1	F195 I196 F197 S198 K220 I242	F195-V222 HydrophobicContact CD2-CG2 4.44Å; F195-V222 HydrophobicContact CE1-CB 4.46Å; F195-V222 HydrophobicContact CE1-CG2 4.47Å; F195-V222 HydrophobicContact CE2-CB 4.2Å; F195-V222 HydrophobicContact CE2-CG2 3.39Å; F195-V222 HydrophobicContact CZ-CB 3.79Å; F195-V222 HydrophobicContact CZ-CG1 4.39Å; F195-V222 HydrophobicContact CZ-CG2 3.41Å; F195-V222 VanDerWaalsContact CZ-CG2 3.41Å; I196-V222 PolarHBondContact O-N 2.86Å; F197-V222 WeakPolarHBondContact CA-O 3.48Å; F197-V222 HydrophobicContact CD1-CB 4.22Å; F197-V222 HydrophobicContact CD1-CG1 3.93Å; F197-V222 HydrophobicContact CE1-CG1 3.97Å; S198-V222 PolarHBondContact N-O 3.42Å; K220-V222 HydrophobicContact CG-CG2 4.46Å; V222-I242 HydrophobicContact CG1-CD1 3.87Å
223	S	98	Very high	98.2	Very high	9 Å²	9	45 Å²	45	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	-176.1	-176.5	-165.4	0	0	0	0	111.1	S198 G200 F225	S198-S223 WeakPolarHBondContact O-CA 3.42Å; S198-S223 WeakPolarHBondContact O-CB 3.31Å; S198-S223 PolarHBondContact O-OG 3.04Å; G200-S223 PolarHBondContact O-OG 2.83Å; G200-S223 VanDerWaalsContact O-OG 3.13Å; S223-F225 WeakPolarHBondContact O-CD2 3.46Å; S223-F225 PolarHBondContact O-N 3.4Å; S223-F225 VanDerWaalsContact O-N 3.13Å
224	N	98.2	Very high	98.2	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	94.8	174.1	-56.4	-65	0	0	0	109.6	A199 G200 G202 F237 I242	A199-N224 PolarHBondContact O-ND2 3.1Å; G200-N224 VanDerWaalsContact O-CB 3.32Å; G200-N224 WeakPolarHBondContact O-CB 3.37Å; G200-N224 PolarHBondContact O-ND2 2.6Å; G202-N224 PolarHBondContact N-O 3.03Å; N224-F237 HydrophobicContact CB-CD1 4.1Å; N224-I242 PolarHBondContact ND2-O 2.59Å; N224-I242 PolarHBondContact OD1-N 3.1Å; N224-I242 PolarHBondContact OD1-O 3.11Å
225	F	98.4	Very high	98.2	Very high	45 Å²	45	48.5 Å²	48.5	20%	0.197	25%	0.253	C	S	.	.			trans	-79.6	135.5	176.8	-75.9	-84.2	0	0	0	111.2	D203 E206 V221 S223 F237 K238	D203-F225 WeakPolarHBondContact OD2-CA 3.49Å; E206-F225 HydrophobicContact CG-CE1 4.21Å; E206-F225 HydrophobicContact CG-CZ 4.46Å; V221-F225 HydrophobicContact CB-CZ 4.28Å; V221-F225 HydrophobicContact CG1-CE2 4.4Å; V221-F225 HydrophobicContact CG1-CZ 3.9Å; S223-F225 WeakPolarHBondContact O-CD2 3.46Å; S223-F225 PolarHBondContact O-N 3.4Å; S223-F225 VanDerWaalsContact O-N 3.13Å; F225-F237 CarbonylContact O-C 3.54Å; F225-F237 WeakPolarHBondContact O-CA 3.35Å; F225-K238 HydrophobicContact CB-CB 4.46Å; F225-K238 HydrophobicContact CB-CD 4.31Å; F225-K238 PolarHBondContact O-N 3.1Å
226	M	98.5	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	141.6	174.9	-70.2	-176.6	-175	0	0	110.7	I105 L165 L201 D203 V204 F228 L234 F237 K238	I105-M226 HydrophobicContact CG1-CE 4.23Å; L165-M226 HydrophobicContact CD1-SD 4.28Å; L201-M226 HydrophobicContact CB-CE 4.44Å; L201-M226 HydrophobicContact CD1-CE 3.79Å; L201-M226 HydrophobicContact CD2-CE 4.31Å; L201-M226 HydrophobicContact CG-CE 4.43Å; D203-M226 WeakPolarHBondContact OD2-CB 3.32Å; D203-M226 PolarHBondContact OD2-N 3.42Å; V204-M226 HydrophobicContact CG2-CE 4.34Å; M226-F228 HydrophobicContact CB-CD2 4.2Å; M226-F228 HydrophobicContact CB-CE1 4.42Å; M226-F228 HydrophobicContact CB-CE2 3.41Å; M226-F228 VanDerWaalsContact CB-CE2 3.41Å; M226-F228 HydrophobicContact CB-CZ 3.54Å; M226-F228 HydrophobicContact CG-CZ 4.23Å; M226-F228 HydrophobicContact SD-CE1 4.35Å; M226-F228 HydrophobicContact SD-CE2 4.47Å; M226-F228 HydrophobicContact SD-CZ 3.68Å; M226-L234 HydrophobicContact CB-CD1 3.61Å; M226-L234 HydrophobicContact CG-CD1 3.7Å; M226-L234 HydrophobicContact SD-CD1 4.02Å; M226-L234 HydrophobicContact SD-CD2 4.45Å; M226-F237 HydrophobicContact CG-CD1 4.29Å; M226-F237 HydrophobicContact CG-CE1 3.64Å; M226-F237 HydrophobicContact CG-CZ 4.1Å; M226-K238 VanDerWaalsContact O-CE 3.23Å; M226-K238 WeakPolarHBondContact O-CE 3.45Å
227	D	98.5	Very high	98.1	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125	169.8	-162.9	22.3	0	0	0	109.7	K235 G236 K238	D227-K235 HydrophobicContact CB-CG 4.43Å; D227-K235 WeakPolarHBondContact O-CG 3.36Å; D227-K235 PolarHBondContact O-N 2.76Å; D227-K235 WeakPolarHBondContact OD2-CE 3.43Å; D227-K235 IonicContact OD2-NZ 3.33Å; D227-G236 PolarHBondContact N-O 2.89Å; D227-G236 PolarHBondContact O-N 2.8Å; D227-K238 HydrophobicContact CB-CG 3.8Å; D227-K238 WeakPolarHBondContact OD1-CE 3.14Å
228	F	98.4	Very high	98	Very high	24 Å²	24	45.7 Å²	45.7	11%	0.105	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.8	-176.3	-62.1	-85.8	0	0	0	109.8	K162 L165 M226 G232 V233 L234 K235	K162-F228 HydrophobicContact CB-CD1 3.73Å; K162-F228 HydrophobicContact CB-CD2 4.19Å; K162-F228 HydrophobicContact CB-CE1 3.6Å; K162-F228 HydrophobicContact CB-CE2 4.04Å; K162-F228 HydrophobicContact CB-CG 4.04Å; K162-F228 HydrophobicContact CB-CZ 3.76Å; K162-F228 HydrophobicContact CD-CD2 3.78Å; K162-F228 HydrophobicContact CD-CE2 3.82Å; K162-F228 HydrophobicContact CD-CG 4.28Å; K162-F228 HydrophobicContact CD-CZ 4.38Å; K162-F228 HydrophobicContact CG-CD2 4.14Å; K162-F228 HydrophobicContact CG-CE1 4.23Å; K162-F228 HydrophobicContact CG-CE2 3.79Å; K162-F228 HydrophobicContact CG-CG 4.49Å; K162-F228 HydrophobicContact CG-CZ 3.85Å; L165-F228 HydrophobicContact CD1-CZ 4.03Å; M226-F228 HydrophobicContact CB-CD2 4.2Å; M226-F228 HydrophobicContact CB-CE1 4.42Å; M226-F228 HydrophobicContact CB-CE2 3.41Å; M226-F228 VanDerWaalsContact CB-CE2 3.41Å; M226-F228 HydrophobicContact CB-CZ 3.54Å; M226-F228 HydrophobicContact CG-CZ 4.23Å; M226-F228 HydrophobicContact SD-CE1 4.35Å; M226-F228 HydrophobicContact SD-CE2 4.47Å; M226-F228 HydrophobicContact SD-CZ 3.68Å; F228-G232 WeakPolarHBondContact CD1-O 3.44Å; F228-V233 CarbonylContact C-O 3.56Å; F228-V233 VanDerWaalsContact CA-O 3.3Å; F228-V233 WeakPolarHBondContact CA-O 3.31Å; F228-L234 HydrophobicContact CD1-CB 4.26Å; F228-L234 HydrophobicContact CE1-CB 4.09Å; F228-L234 HydrophobicContact CE1-CD1 4.44Å; F228-K235 WeakPolarHBondContact O-CE 3.38Å; F228-K235 PolarHBondContact O-NZ 3.35Å
229	D	98.1	Very high	97.8	Very high	46 Å²	46	48.8 Å²	48.8	25%	0.246	27%	0.271	C	S	.	.			trans	-75.9	179.6	171	75.9	3.9	0	0	0	112	N231 G232 V233 K235	D229-N231 PolarHBondContact O-N 2.99Å; D229-N231 VanDerWaalsContact O-N 3.11Å; D229-N231 WeakPolarHBondContact OD1-CA 3.33Å; D229-N231 WeakPolarHBondContact OD1-CB 3.08Å; D229-N231 PolarHBondContact OD1-N 3.29Å; D229-G232 PolarHBondContact O-N 3.34Å; D229-G232 PolarHBondContact OD1-N 3.17Å; D229-G232 VanDerWaalsContact OD1-N 3.1Å; D229-V233 PolarHBondContact N-O 3.23Å; D229-V233 WeakPolarHBondContact OD1-CB 3.38Å; D229-V233 PolarHBondContact OD1-N 3.28Å; D229-K235 HydrophobicContact CB-CD 4.07Å
230	D	97.6	Very high	97.5	Very high	173 Å²	173	54.1 Å²	54.1	93%	0.925	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.3	-179.2	-61.6	-29	0	0	0	113.2
231	N	97	Very high	97.4	Very high	132 Å²	132	51.8 Å²	51.8	71%	0.706	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	1.2	175.6	-54.2	-61.4	0	0	0	112.4	D229 V233	D229-N231 PolarHBondContact O-N 2.99Å; D229-N231 VanDerWaalsContact O-N 3.11Å; D229-N231 WeakPolarHBondContact OD1-CA 3.33Å; D229-N231 WeakPolarHBondContact OD1-CB 3.08Å; D229-N231 PolarHBondContact OD1-N 3.29Å; N231-V233 HydrophobicContact CB-CG2 4.3Å
232	G	97.7	Very high	97.2	Very high	23 Å²	23	52 Å²	52	24%	0.237	29%	0.288	C	S	.	.	S	Bend	trans	76.9	22	-177.4	0	0	0	0	0	113.9	E161 K162 F228 D229	E161-G232 WeakPolarHBondContact CA-O 3.47Å; K162-G232 PolarHBondContact N-O 3.12Å; F228-G232 WeakPolarHBondContact CD1-O 3.44Å; D229-G232 PolarHBondContact O-N 3.34Å; D229-G232 PolarHBondContact OD1-N 3.17Å; D229-G232 VanDerWaalsContact OD1-N 3.1Å
233	V	98.4	Very high	97	Very high	17 Å²	17	51.1 Å²	51.1	10%	0.103	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-98.1	135	178.2	179.8	0	0	0	0	110.3	R159 E161 F228 D229 N231 K235	R159-V233 HydrophobicContact CB-CG1 3.69Å; R159-V233 HydrophobicContact CG-CG1 4.3Å; E161-V233 HydrophobicContact CG-CG2 4.38Å; F228-V233 CarbonylContact C-O 3.56Å; F228-V233 VanDerWaalsContact CA-O 3.3Å; F228-V233 WeakPolarHBondContact CA-O 3.31Å; D229-V233 PolarHBondContact N-O 3.23Å; D229-V233 WeakPolarHBondContact OD1-CB 3.38Å; D229-V233 PolarHBondContact OD1-N 3.28Å; N231-V233 HydrophobicContact CB-CG2 4.3Å; V233-K235 PolarHBondContact O-N 3.26Å
234	L	98.5	Very high	96.7	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	123.4	179.6	179.1	66.7	0	0	0	110.4	L155 V156 L160 M226 F228 G236	L155-L234 HydrophobicContact CB-CD2 4.17Å; V156-L234 HydrophobicContact CG2-CD2 4.2Å; V156-L234 HydrophobicContact CG2-CG 4.05Å; L160-L234 HydrophobicContact CB-CB 4.06Å; L160-L234 HydrophobicContact CB-CD2 4.25Å; L160-L234 HydrophobicContact CD1-CD2 3.93Å; L160-L234 HydrophobicContact CG-CD2 4.29Å; L160-L234 WeakPolarHBondContact O-CB 3.46Å; L160-L234 PolarHBondContact O-N 2.86Å; M226-L234 HydrophobicContact CB-CD1 3.61Å; M226-L234 HydrophobicContact CG-CD1 3.7Å; M226-L234 HydrophobicContact SD-CD1 4.02Å; M226-L234 HydrophobicContact SD-CD2 4.45Å; F228-L234 HydrophobicContact CD1-CB 4.26Å; F228-L234 HydrophobicContact CE1-CB 4.09Å; F228-L234 HydrophobicContact CE1-CD1 4.44Å; L234-G236 WeakPolarHBondContact CD1-O 3.39Å
235	K	98.2	Very high	96.3	Very high	113 Å²	113	52.5 Å²	52.5	49%	0.491	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-13.4	177.2	66.5	175.7	-175	-166.4	0	113.7	D227 F228 D229 V233	D227-K235 HydrophobicContact CB-CG 4.43Å; D227-K235 WeakPolarHBondContact O-CG 3.36Å; D227-K235 PolarHBondContact O-N 2.76Å; D227-K235 WeakPolarHBondContact OD2-CE 3.43Å; D227-K235 IonicContact OD2-NZ 3.33Å; F228-K235 WeakPolarHBondContact O-CE 3.38Å; F228-K235 PolarHBondContact O-NZ 3.35Å; D229-K235 HydrophobicContact CB-CD 4.07Å; V233-K235 PolarHBondContact O-N 3.26Å
236	G	97.9	Very high	96	Very high	18 Å²	18	50.8 Å²	50.8	19%	0.186	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-159.7	-178.6	0	0	0	0	0	112.8	D227 L234	D227-G236 PolarHBondContact N-O 2.89Å; D227-G236 PolarHBondContact O-N 2.8Å; L234-G236 WeakPolarHBondContact CD1-O 3.39Å
237	F	97.9	Very high	95.6	Very high	46 Å²	46	50.9 Å²	50.9	20%	0.202	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.9	177.4	-72.1	-92.6	0	0	0	109.9	H152 L201 N224 F225 M226	H152-F237 HydrophobicContact CB-CD2 3.69Å; H152-F237 HydrophobicContact CB-CE2 3.42Å; H152-F237 VanDerWaalsContact CB-CE2 3.42Å; H152-F237 HydrophobicContact CB-CZ 4.27Å; H152-F237 AromaticContact CD2-CE2 3.63Å; H152-F237 AromaticContact CD2-CZ 3.56Å; H152-F237 AromaticContact CG-CD2 3.67Å; H152-F237 AromaticContact CG-CE2 3.42Å; H152-F237 VanDerWaalsContact CG-CE2 3.42Å; H152-F237 AromaticContact CG-CZ 3.85Å; H152-F237 AromaticContact ND1-CD2 3.74Å; H152-F237 AromaticContact ND1-CE2 3.95Å; H152-F237 AromaticContact ND1-CG 3.97Å; H152-F237 AromaticContact NE2-CE1 3.94Å; H152-F237 AromaticContact NE2-CZ 3.87Å; L201-F237 HydrophobicContact CD2-CE1 3.54Å; L201-F237 HydrophobicContact CD2-CZ 3.89Å; N224-F237 HydrophobicContact CB-CD1 4.1Å; F225-F237 CarbonylContact O-C 3.54Å; F225-F237 WeakPolarHBondContact O-CA 3.35Å; M226-F237 HydrophobicContact CG-CD1 4.29Å; M226-F237 HydrophobicContact CG-CE1 3.64Å; M226-F237 HydrophobicContact CG-CZ 4.1Å
238	K	96.3	Very high	95.2	Very high	111 Å²	111	52 Å²	52	48%	0.483	29%	0.285	S	S	.	.			trans	-85.1	142.5	-175.3	-62.2	178.8	-178.5	165.2	0	111.2	F225 M226 D227	F225-K238 HydrophobicContact CB-CB 4.46Å; F225-K238 HydrophobicContact CB-CD 4.31Å; F225-K238 PolarHBondContact O-N 3.1Å; M226-K238 VanDerWaalsContact O-CE 3.23Å; M226-K238 WeakPolarHBondContact O-CE 3.45Å; D227-K238 HydrophobicContact CB-CG 3.8Å; D227-K238 WeakPolarHBondContact OD1-CE 3.14Å
239	G	93.1	Very high	94.6	Very high	80 Å²	80	53.7 Å²	53.7	83%	0.825	30%	0.295	S	S	*	.	S	Bend	trans	69.6	-155.5	172.6	0	0	0	0	0	113.2
240	E	92.8	Very high	93.9	Very high	124 Å²	124	51.6 Å²	51.6	58%	0.579	28%	0.284	S	S	*	.	S	Bend	trans	-88.8	138.6	179	-65.6	-178.9	173.6	0	0	110.6	I242 R253	E240-I242 PolarHBondContact O-N 3.34Å; E240-R253 VanDerWaalsContact OE2-CD 3.3Å; E240-R253 WeakPolarHBondContact OE2-CD 3.46Å; E240-R253 IonicContact OE2-CZ 3.52Å; E240-R253 IonicContact OE2-NE 3.41Å; E240-R253 PolarHBondContact OE2-NE 3.09Å; E240-R253 IonicContact OE2-NH1 2.83Å; E240-R253 PolarHBondContact OE2-NH1 2.93Å
241	L	94.9	Very high	93.2	Very high	45 Å²	45	43.3 Å²	43.3	24%	0.236	24%	0.239	C	C	.	.			trans	-55.1	131.8	178	172.9	66.1	0	0	0	110.9	Y148 N246	Y148-L241 HydrophobicContact CD1-CD1 3.91Å; Y148-L241 HydrophobicContact CG-CD1 4.14Å; L241-N246 PolarHBondContact O-ND2 3.38Å
242	I	95.7	Very high	92.4	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	22%	0.224	C	C	.	.			trans	-104.6	123.7	167.1	-60	157.5	0	0	0	107.6	F197 A199 V222 N224 E240 N246 K247	F197-I242 HydrophobicContact CD1-CG2 4.4Å; F197-I242 HydrophobicContact CE1-CD1 3.88Å; F197-I242 HydrophobicContact CE1-CG1 4.16Å; F197-I242 HydrophobicContact CE1-CG2 3.68Å; F197-I242 HydrophobicContact CZ-CG2 4.43Å; A199-I242 HydrophobicContact CB-CG2 4.18Å; V222-I242 HydrophobicContact CG1-CD1 3.87Å; N224-I242 PolarHBondContact ND2-O 2.59Å; N224-I242 PolarHBondContact OD1-N 3.1Å; N224-I242 PolarHBondContact OD1-O 3.11Å; E240-I242 PolarHBondContact O-N 3.34Å; I242-N246 WeakPolarHBondContact CA-OD1 3.4Å; I242-K247 HydrophobicContact CG2-CG 4.45Å
243	H	93.8	Very high	92	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.			trans	-129.8	171.6	171.5	63.7	55.6	0	0	0	109.8	Y141 M144 V145 Y148 Y245 N246	Y141-H243 AromaticContact CD2-CE1 3.66Å; Y141-H243 AromaticContact CE1-NE2 3.66Å; Y141-H243 AromaticContact CE2-CE1 3.51Å; Y141-H243 AromaticContact CE2-NE2 3.74Å; Y141-H243 AromaticContact CZ-CE1 3.79Å; Y141-H243 AromaticContact CZ-NE2 3.5Å; M144-H243 HydrophobicContact CB-CB 4.3Å; V145-H243 WeakPolarHBondContact CG2-NE2 3.29Å; Y148-H243 HydrophobicContact CD1-CB 4.49Å; Y148-H243 HydrophobicContact CD2-CB 3.9Å; Y148-H243 HydrophobicContact CE1-CB 4.44Å; Y148-H243 HydrophobicContact CE2-CB 3.84Å; Y148-H243 HydrophobicContact CG-CB 4.21Å; H243-Y245 PolarHBondContact ND1-N 2.88Å; H243-Y245 VanDerWaalsContact ND1-N 3.13Å; H243-Y245 PolarHBondContact O-N 3.38Å; H243-N246 VanDerWaalsContact CE1-CB 3.43Å; H243-N246 WeakPolarHBondContact CE1-CB 3.44Å; H243-N246 PolarHBondContact CE1-N 2.87Å; H243-N246 PolarHBondContact N-OD1 3.32Å; H243-N246 PolarHBondContact ND1-N 3.26Å; H243-N246 PolarHBondContact O-N 3.35Å; H243-N246 VanDerWaalsContact O-N 3.16Å; H243-N246 PolarHBondContact O-OD1 3.44Å
244	V	90.4	Very high	91.4	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-38.2	-174.3	64.6	0	0	0	0	114.5	E130 M144 G275	E130-V244 HydrophobicContact CG-CG1 4.22Å; M144-V244 HydrophobicContact CG-CG1 3.96Å; M144-V244 HydrophobicContact SD-CG1 4.03Å; V244-G275 WeakPolarHBondContact O-CA 3.26Å
245	Y	89.6	Confident	90.6	Very high	32 Å²	32	47.2 Å²	47.2	13%	0.125	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	8.5	-177.4	-54.3	-51.6	0	0	0	117.9	E130 M137 K140 M144 H243	E130-Y245 PolarHBondContact O-OH 2.8Å; M137-Y245 HydrophobicContact CB-CD1 4.47Å; M137-Y245 HydrophobicContact CG-CD1 4.05Å; M137-Y245 HydrophobicContact CG-CE1 4.36Å; K140-Y245 HydrophobicContact CB-CD2 3.84Å; K140-Y245 HydrophobicContact CB-CE2 3.47Å; K140-Y245 VanDerWaalsContact CB-CE2 3.47Å; K140-Y245 HydrophobicContact CD-CE2 3.66Å; K140-Y245 WeakPolarHBondContact CD-OH 3.44Å; K140-Y245 HydrophobicContact CG-CE2 4.23Å; M144-Y245 HydrophobicContact CG-CD2 3.56Å; M144-Y245 HydrophobicContact CG-CE2 3.64Å; M144-Y245 HydrophobicContact SD-CE2 4.29Å; H243-Y245 PolarHBondContact ND1-N 2.88Å; H243-Y245 VanDerWaalsContact ND1-N 3.13Å; H243-Y245 PolarHBondContact O-N 3.38Å
246	N	91.9	Very high	90.1	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.043	25%	0.251	C	S	.	.			trans	-122.5	21.3	178.4	75.6	-6.5	0	0	0	113.5	Y141 L241 I242 H243 H248 D249 G250	Y141-N246 HydrophobicContact CE2-CB 3.7Å; L241-N246 PolarHBondContact O-ND2 3.38Å; I242-N246 WeakPolarHBondContact CA-OD1 3.4Å; H243-N246 VanDerWaalsContact CE1-CB 3.43Å; H243-N246 WeakPolarHBondContact CE1-CB 3.44Å; H243-N246 PolarHBondContact CE1-N 2.87Å; H243-N246 PolarHBondContact N-OD1 3.32Å; H243-N246 PolarHBondContact ND1-N 3.26Å; H243-N246 PolarHBondContact O-N 3.35Å; H243-N246 VanDerWaalsContact O-N 3.16Å; H243-N246 PolarHBondContact O-OD1 3.44Å; N246-H248 PolarHBondContact O-N 3.19Å; N246-D249 PolarHBondContact O-N 2.89Å; N246-D249 VanDerWaalsContact O-N 3.11Å; N246-G250 PolarHBondContact O-N 3.03Å
247	K	91.9	Very high	89.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-30.6	176.4	-66.4	-161.6	-179	-175	0	112.1	D83 F197 I242 D249 G250 A251 D276 M279	D83-K247 VanDerWaalsContact CG-NZ 3.32Å; D83-K247 IonicContact OD1-NZ 3.2Å; D83-K247 PolarHBondContact OD1-NZ 2.88Å; F197-K247 HydrophobicContact CD2-CB 4.37Å; F197-K247 HydrophobicContact CD2-CD 4.44Å; F197-K247 HydrophobicContact CE1-CG 4.38Å; F197-K247 HydrophobicContact CE2-CB 3.74Å; F197-K247 HydrophobicContact CE2-CG 4.26Å; F197-K247 WeakPolarHBondContact CE2-O 3Å; F197-K247 HydrophobicContact CZ-CB 3.87Å; F197-K247 HydrophobicContact CZ-CG 4.09Å; F197-K247 VanDerWaalsContact CZ-O 3.29Å; F197-K247 WeakPolarHBondContact CZ-O 3.4Å; F197-K247 PolarHBondContact O-NZ 3.46Å; I242-K247 HydrophobicContact CG2-CG 4.45Å; K247-D249 PolarHBondContact O-N 3.02Å; K247-G250 PolarHBondContact O-N 3.09Å; K247-A251 WeakPolarHBondContact O-CB 3.45Å; K247-A251 PolarHBondContact O-N 3.36Å; K247-D276 WeakPolarHBondContact CD-OD1 3.37Å; K247-D276 VanDerWaalsContact CE-OD1 3.29Å; K247-D276 WeakPolarHBondContact CE-OD1 3.46Å; K247-D276 IonicContact NZ-OD1 3.97Å; K247-D276 PolarHBondContact NZ-OD1 3.04Å; K247-M279 HydrophobicContact CB-CG 4.03Å; K247-M279 HydrophobicContact CD-CG 3.5Å; K247-M279 VanDerWaalsContact CD-CG 3.5Å; K247-M279 HydrophobicContact CD-SD 3.65Å; K247-M279 HydrophobicContact CG-CG 4.4Å; K247-M279 PolarHBondContact NZ-SD 2.92Å; K247-M279 VanDerWaalsContact NZ-SD 3.44Å
248	H	89.9	Confident	89.4	Confident	76 Å²	76	45.7 Å²	45.7	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-47.7	-55.8	167.5	178.3	71.8	0	0	0	112.4	N246 G250 A251 L252 T278 D281	N246-H248 PolarHBondContact O-N 3.19Å; H248-G250 VanDerWaalsContact C-N 3.34Å; H248-G250 PolarHBondContact O-N 2.93Å; H248-A251 WeakPolarHBondContact O-CB 3.43Å; H248-A251 PolarHBondContact O-N 2.99Å; H248-A251 VanDerWaalsContact O-N 3.15Å; H248-L252 VanDerWaalsContact NE2-CD1 3.33Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.39Å; H248-L252 WeakPolarHBondContact O-CG 3.49Å; H248-L252 PolarHBondContact O-N 3.21Å; H248-L252 VanDerWaalsContact O-N 3.07Å; H248-T278 HydrophobicContact CB-CG2 4.38Å; H248-T278 PolarHBondContact N-OG1 3.44Å; H248-T278 VanDerWaalsContact N-OG1 3.1Å; H248-D281 IonicContact CE1-OD2 3.59Å; H248-D281 IonicContact CG-OD2 2.69Å; H248-D281 IonicContact ND1-OD2 2.61Å; H248-D281 PolarHBondContact ND1-OD2 3.39Å
249	D	85	Confident	89.1	Confident	59 Å²	59	45.8 Å²	45.8	32%	0.316	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-44.2	-177.7	-55.8	-29.7	0	0	0	111	N246 K247 A251 L252 R253	N246-D249 PolarHBondContact O-N 2.89Å; N246-D249 VanDerWaalsContact O-N 3.11Å; K247-D249 PolarHBondContact O-N 3.02Å; D249-A251 VanDerWaalsContact C-N 3.34Å; D249-A251 PolarHBondContact O-N 2.86Å; D249-L252 PolarHBondContact O-N 3.39Å; D249-R253 WeakPolarHBondContact O-CG 3.16Å; D249-R253 PolarHBondContact O-N 3Å
250	G	83.1	Confident	89.1	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-33.2	178	0	0	0	0	0	113.3	N246 K247 H248 R253 N254	N246-G250 PolarHBondContact O-N 3.03Å; K247-G250 PolarHBondContact O-N 3.09Å; H248-G250 VanDerWaalsContact C-N 3.34Å; H248-G250 PolarHBondContact O-N 2.93Å; G250-R253 PolarHBondContact O-N 3.42Å; G250-N254 PolarHBondContact O-N 3.08Å; G250-N254 PolarHBondContact O-ND2 3.29Å
251	A	82.3	Confident	89.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-44.1	173	0	0	0	0	0	110.7	F197 K247 H248 D249 R253 N254 D281	F197-A251 HydrophobicContact CE2-CB 4.12Å; K247-A251 WeakPolarHBondContact O-CB 3.45Å; K247-A251 PolarHBondContact O-N 3.36Å; H248-A251 WeakPolarHBondContact O-CB 3.43Å; H248-A251 PolarHBondContact O-N 2.99Å; H248-A251 VanDerWaalsContact O-N 3.15Å; D249-A251 VanDerWaalsContact C-N 3.34Å; D249-A251 PolarHBondContact O-N 2.86Å; A251-R253 PolarHBondContact O-N 3.22Å; A251-N254 PolarHBondContact O-N 3.49Å; A251-N254 VanDerWaalsContact O-N 3.11Å; A251-D281 HydrophobicContact CB-CB 4.45Å
252	L	81.6	Confident	88.9	Confident	74 Å²	74	49.7 Å²	49.7	39%	0.387	23%	0.23	S	C	.	.	H	α-helix	trans	-66.8	-33.9	177.7	-65.4	-178.1	0	0	0	113.3	H248 D249 N254 T255	H248-L252 VanDerWaalsContact NE2-CD1 3.33Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.39Å; H248-L252 WeakPolarHBondContact O-CG 3.49Å; H248-L252 PolarHBondContact O-N 3.21Å; H248-L252 VanDerWaalsContact O-N 3.07Å; D249-L252 PolarHBondContact O-N 3.39Å; L252-N254 PolarHBondContact O-N 3.25Å; L252-T255 WeakPolarHBondContact O-CG2 3.41Å; L252-T255 PolarHBondContact O-N 3.5Å; L252-T255 PolarHBondContact O-OG1 2.9Å
253	R	88.1	Confident	88.9	Confident	103 Å²	103	54.4 Å²	54.4	39%	0.389	26%	0.255	S	S	.	.	H	α-helix	trans	-65.8	-21.1	172.8	-71.4	-173	-62.4	-100.3	-0.6	113.2	E240 D249 G250 A251	E240-R253 VanDerWaalsContact OE2-CD 3.3Å; E240-R253 WeakPolarHBondContact OE2-CD 3.46Å; E240-R253 IonicContact OE2-CZ 3.52Å; E240-R253 IonicContact OE2-NE 3.41Å; E240-R253 PolarHBondContact OE2-NE 3.09Å; E240-R253 IonicContact OE2-NH1 2.83Å; E240-R253 PolarHBondContact OE2-NH1 2.93Å; D249-R253 WeakPolarHBondContact O-CG 3.16Å; D249-R253 PolarHBondContact O-N 3Å; G250-R253 PolarHBondContact O-N 3.42Å; A251-R253 PolarHBondContact O-N 3.22Å
254	N	86.9	Confident	89	Confident	35 Å²	35	56.8 Å²	56.8	19%	0.187	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	21.1	178.6	-73	-81.8	0	0	0	113.1	F195 G250 A251 L252 D256 Y257 F258	F195-N254 HydrophobicContact CE2-CB 4.35Å; F195-N254 HydrophobicContact CZ-CB 4.1Å; G250-N254 PolarHBondContact O-N 3.08Å; G250-N254 PolarHBondContact O-ND2 3.29Å; A251-N254 PolarHBondContact O-N 3.49Å; A251-N254 VanDerWaalsContact O-N 3.11Å; L252-N254 PolarHBondContact O-N 3.25Å; N254-D256 PolarHBondContact O-N 2.8Å; N254-D256 VanDerWaalsContact O-N 3.17Å; N254-Y257 WeakPolarHBondContact O-CB 3.4Å; N254-Y257 PolarHBondContact O-N 3.04Å; N254-F258 HydrophobicContact CB-CD2 4.33Å; N254-F258 HydrophobicContact CB-CE2 4.02Å; N254-F258 VanDerWaalsContact O-CD2 3.23Å; N254-F258 WeakPolarHBondContact O-CD2 3.44Å; N254-F258 PolarHBondContact O-N 2.67Å; N254-F258 VanDerWaalsContact O-N 3.15Å
255	T	82.2	Confident	89.3	Confident	47 Å²	47	56.6 Å²	56.6	29%	0.288	26%	0.264	S	S	.	.	H	α-helix	trans	-56.8	-31.9	179.2	44.7	0	0	0	0	113.6	L252 Y257 F258 K259	L252-T255 WeakPolarHBondContact O-CG2 3.41Å; L252-T255 PolarHBondContact O-N 3.5Å; L252-T255 PolarHBondContact O-OG1 2.9Å; T255-Y257 VanDerWaalsContact C-N 3.35Å; T255-Y257 PolarHBondContact O-N 2.8Å; T255-F258 PolarHBondContact O-N 3.29Å; T255-K259 WeakPolarHBondContact O-CB 3.47Å; T255-K259 WeakPolarHBondContact O-CG 3.08Å; T255-K259 PolarHBondContact O-N 2.88Å
256	D	86.8	Confident	89.7	Confident	102 Å²	102	55.1 Å²	55.1	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-68.4	-33.6	177.4	-70.3	-18.7	0	0	0	113	N254 K259 Q260	N254-D256 PolarHBondContact O-N 2.8Å; N254-D256 VanDerWaalsContact O-N 3.17Å; D256-K259 IonicContact OD1-NZ 2.84Å; D256-K259 PolarHBondContact OD1-NZ 3.38Å; D256-Q260 WeakPolarHBondContact O-CG 3.44Å; D256-Q260 PolarHBondContact O-N 2.82Å; D256-Q260 PolarHBondContact O-NE2 3.29Å
257	Y	91.4	Very high	90.1	Very high	42 Å²	42	54.8 Å²	54.8	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-50	169.8	172.1	-96	0	0	0	110.2	F195 K220 N254 T255 K259 Q260 L261	F195-Y257 HydrophobicContact CB-CE1 4.04Å; F195-Y257 AromaticContact CD2-CD1 3.75Å; F195-Y257 HydrophobicContact CD2-CD1 3.75Å; F195-Y257 AromaticContact CD2-CE1 3.36Å; F195-Y257 HydrophobicContact CD2-CE1 3.36Å; F195-Y257 AromaticContact CD2-CZ 3.84Å; F195-Y257 AromaticContact CE2-CD1 3.98Å; F195-Y257 HydrophobicContact CE2-CD1 3.98Å; F195-Y257 HydrophobicContact CE2-CE1 4.08Å; F195-Y257 AromaticContact CG-CE1 3.99Å; F195-Y257 HydrophobicContact CG-CE1 3.99Å; K220-Y257 HydrophobicContact CB-CE2 3.72Å; K220-Y257 HydrophobicContact CG-CD2 4.18Å; K220-Y257 HydrophobicContact CG-CE2 3.87Å; N254-Y257 WeakPolarHBondContact O-CB 3.4Å; N254-Y257 PolarHBondContact O-N 3.04Å; T255-Y257 VanDerWaalsContact C-N 3.35Å; T255-Y257 PolarHBondContact O-N 2.8Å; Y257-K259 VanDerWaalsContact C-N 3.33Å; Y257-K259 PolarHBondContact O-N 3.09Å; Y257-Q260 WeakPolarHBondContact O-CB 3.39Å; Y257-Q260 PolarHBondContact O-N 2.88Å; Y257-Q260 VanDerWaalsContact O-N 3.14Å; Y257-L261 HydrophobicContact CD1-CD1 4.18Å; Y257-L261 HydrophobicContact CE1-CD1 3.45Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.45Å; Y257-L261 HydrophobicContact CE1-CG 4.49Å; Y257-L261 HydrophobicContact CE2-CD1 4.09Å; Y257-L261 VanDerWaalsContact CZ-CD1 3.41Å; Y257-L261 PolarHBondContact O-N 3.2Å; Y257-L261 WeakPolarHBondContact OH-CD1 3.35Å
258	F	90.1	Very high	90.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-29.8	-178.9	-65.9	-60.8	0	0	0	113.9	I81 F195 N254 T255 Q260 L261 R262 G282 V283	I81-F258 HydrophobicContact CD1-CE1 3.83Å; I81-F258 HydrophobicContact CD1-CZ 4.25Å; I81-F258 HydrophobicContact CG1-CE1 4.47Å; F195-F258 HydrophobicContact CD1-CZ 4.01Å; F195-F258 AromaticContact CE1-CZ 3.93Å; F195-F258 HydrophobicContact CE1-CZ 3.93Å; F195-F258 HydrophobicContact CE2-CZ 4.45Å; F195-F258 HydrophobicContact CG-CE1 4.47Å; F195-F258 HydrophobicContact CG-CZ 4.28Å; F195-F258 HydrophobicContact CZ-CZ 4.16Å; N254-F258 HydrophobicContact CB-CD2 4.33Å; N254-F258 HydrophobicContact CB-CE2 4.02Å; N254-F258 VanDerWaalsContact O-CD2 3.23Å; N254-F258 WeakPolarHBondContact O-CD2 3.44Å; N254-F258 PolarHBondContact O-N 2.67Å; N254-F258 VanDerWaalsContact O-N 3.15Å; T255-F258 PolarHBondContact O-N 3.29Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-L261 CarbonylContact O-C 3.32Å; F258-L261 VanDerWaalsContact O-C 3.32Å; F258-L261 PolarHBondContact O-N 3.03Å; F258-L261 VanDerWaalsContact O-N 3.12Å; F258-R262 PolarHBondContact O-N 2.83Å; F258-G282 WeakPolarHBondContact CB-O 3.28Å; F258-G282 WeakPolarHBondContact CD2-O 3.47Å; F258-V283 HydrophobicContact CD1-CG2 3.75Å; F258-V283 HydrophobicContact CE1-CG2 3.88Å; F258-V283 HydrophobicContact CG-CG2 4.29Å
259	K	89.9	Confident	90.8	Very high	113 Å²	113	51.2 Å²	51.2	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-36.3	172.6	-76.5	169.3	-160.8	157.3	0	112.2	T255 D256 Y257 L261 R262	T255-K259 WeakPolarHBondContact O-CB 3.47Å; T255-K259 WeakPolarHBondContact O-CG 3.08Å; T255-K259 PolarHBondContact O-N 2.88Å; D256-K259 IonicContact OD1-NZ 2.84Å; D256-K259 PolarHBondContact OD1-NZ 3.38Å; Y257-K259 VanDerWaalsContact C-N 3.33Å; Y257-K259 PolarHBondContact O-N 3.09Å; K259-L261 PolarHBondContact O-N 3.2Å; K259-R262 WeakPolarHBondContact O-CB 3.43Å; K259-R262 PolarHBondContact O-N 3.4Å
260	Q	92.3	Very high	91.5	Very high	152 Å²	152	48.4 Å²	48.4	71%	0.71	23%	0.225	S	C	*	.	H	α-helix	trans	-67	-26.6	174.2	-67	169.9	30.1	0	0	111.3	D256 Y257 F258	D256-Q260 WeakPolarHBondContact O-CG 3.44Å; D256-Q260 PolarHBondContact O-N 2.82Å; D256-Q260 PolarHBondContact O-NE2 3.29Å; Y257-Q260 WeakPolarHBondContact O-CB 3.39Å; Y257-Q260 PolarHBondContact O-N 2.88Å; Y257-Q260 VanDerWaalsContact O-N 3.14Å; F258-Q260 VanDerWaalsContact C-N 3.33Å
261	L	92.9	Very high	92.2	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.115	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	21.8	178.9	-57.4	-174.3	0	0	0	113.8	P193 Y257 F258 K259 D263 Y264	P193-L261 HydrophobicContact CB-CD1 3.61Å; P193-L261 HydrophobicContact CB-CD2 4.22Å; P193-L261 HydrophobicContact CG-CD1 4Å; P193-L261 HydrophobicContact CG-CD2 3.78Å; Y257-L261 HydrophobicContact CD1-CD1 4.18Å; Y257-L261 HydrophobicContact CE1-CD1 3.45Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.45Å; Y257-L261 HydrophobicContact CE1-CG 4.49Å; Y257-L261 HydrophobicContact CE2-CD1 4.09Å; Y257-L261 VanDerWaalsContact CZ-CD1 3.41Å; Y257-L261 PolarHBondContact O-N 3.2Å; Y257-L261 WeakPolarHBondContact OH-CD1 3.35Å; F258-L261 CarbonylContact O-C 3.32Å; F258-L261 VanDerWaalsContact O-C 3.32Å; F258-L261 PolarHBondContact O-N 3.03Å; F258-L261 VanDerWaalsContact O-N 3.12Å; K259-L261 PolarHBondContact O-N 3.2Å; L261-D263 PolarHBondContact O-N 3.43Å; L261-Y264 HydrophobicContact CB-CD2 3.86Å; L261-Y264 HydrophobicContact CD2-CD2 3.75Å; L261-Y264 HydrophobicContact CD2-CE2 3.75Å; L261-Y264 HydrophobicContact CG-CD2 4.35Å; L261-Y264 WeakPolarHBondContact O-CA 3.48Å; L261-Y264 WeakPolarHBondContact O-CB 3.48Å; L261-Y264 PolarHBondContact O-N 2.96Å
262	R	91.9	Very high	93	Very high	157 Å²	157	50 Å²	50	59%	0.592	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.1	-175.4	70.2	-175.6	-176.5	-156.2	-3.6	114.9	F258 K259 Y264 P284	F258-R262 PolarHBondContact O-N 2.83Å; K259-R262 WeakPolarHBondContact O-CB 3.43Å; K259-R262 PolarHBondContact O-N 3.4Å; R262-Y264 VanDerWaalsContact C-N 3.31Å; R262-P284 HydrophobicContact CB-CG 4.33Å
263	D	94	Very high	93.6	Very high	108 Å²	108	47.2 Å²	47.2	58%	0.578	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.2	179.4	-60.2	-29.3	0	0	0	111.4	L261 S265	L261-D263 PolarHBondContact O-N 3.43Å; D263-S265 PolarHBondContact O-N 2.61Å
264	Y	96.4	Very high	93.8	Very high	50 Å²	50	43.4 Å²	43.4	20%	0.196	21%	0.207	C	C	.	.			trans	-83.6	62.5	176	-62.7	-85	0	0	0	111.6	K77 L78 Q79 P193 L261 R262 N266	K77-Y264 CarbonylContact O-C 3.56Å; K77-Y264 WeakPolarHBondContact O-CA 3.48Å; L78-Y264 WeakPolarHBondContact O-CD1 3.48Å; Q79-Y264 PolarHBondContact NE2-O 3.4Å; P193-Y264 VanDerWaalsContact CD-CE1 3.44Å; P193-Y264 HydrophobicContact CG-CD1 4.13Å; P193-Y264 HydrophobicContact CG-CD2 4.05Å; P193-Y264 HydrophobicContact CG-CE1 3.86Å; P193-Y264 HydrophobicContact CG-CE2 3.81Å; P193-Y264 HydrophobicContact CG-CG 4.18Å; L261-Y264 HydrophobicContact CB-CD2 3.86Å; L261-Y264 HydrophobicContact CD2-CD2 3.75Å; L261-Y264 HydrophobicContact CD2-CE2 3.75Å; L261-Y264 HydrophobicContact CG-CD2 4.35Å; L261-Y264 WeakPolarHBondContact O-CA 3.48Å; L261-Y264 WeakPolarHBondContact O-CB 3.48Å; L261-Y264 PolarHBondContact O-N 2.96Å; R262-Y264 VanDerWaalsContact C-N 3.31Å; Y264-N266 PolarHBondContact O-N 2.87Å
265	S	97.5	Very high	94.1	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.042	20%	0.199	C	C	.	.			trans	-76.3	-3.8	-173.8	63.1	0	0	0	0	115.3	K77 D263 N285 E287 N288	K77-S265 PolarHBondContact O-N 3.14Å; K77-S265 VanDerWaalsContact O-N 3.15Å; D263-S265 PolarHBondContact O-N 2.61Å; S265-N285 WeakPolarHBondContact CA-O 3.32Å; S265-E287 PolarHBondContact O-N 2.88Å; S265-E287 WeakPolarHBondContact OG-CG 3.38Å; S265-E287 PolarHBondContact OG-OE1 3.41Å; S265-N288 PolarHBondContact O-N 2.96Å
266	N	98.6	Very high	94.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.1	177.5	-73.9	-9.8	0	0	0	109.7	G69 L70 K77 L78 Q79 Y264 N288	G69-N266 PolarHBondContact O-ND2 2.62Å; L70-N266 HydrophobicContact CD2-CB 3.67Å; K77-N266 HydrophobicContact CB-CB 4.24Å; K77-N266 WeakPolarHBondContact O-CA 3.39Å; K77-N266 WeakPolarHBondContact O-CB 3.24Å; K77-N266 PolarHBondContact O-N 3.46Å; L78-N266 CarbonylContact C-O 3.44Å; L78-N266 WeakPolarHBondContact CA-O 2.99Å; L78-N266 HydrophobicContact CD1-CB 4.46Å; Q79-N266 PolarHBondContact N-O 3.44Å; Y264-N266 PolarHBondContact O-N 2.87Å; N266-N288 CarbonylContact C-O 2.97Å; N266-N288 WeakPolarHBondContact CA-O 3.46Å; N266-N288 WeakPolarHBondContact OD1-CB 3.14Å; N266-N288 PolarHBondContact OD1-ND2 3.32Å
267	I	98.8	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.1	-175.1	-57.6	102.6	0	0	0	110.8	Q79 I81 L269 V283 V286 N288 M289 L290	Q79-I267 HydrophobicContact CG-CG1 3.82Å; Q79-I267 WeakPolarHBondContact O-CA 3.19Å; I81-I267 HydrophobicContact CB-CG2 4.38Å; I81-I267 HydrophobicContact CD1-CG2 4.04Å; I81-I267 HydrophobicContact CG1-CG2 4.17Å; I267-L269 HydrophobicContact CG2-CB 4.37Å; I267-V283 HydrophobicContact CD1-CG1 4.04Å; I267-V286 HydrophobicContact CD1-CB 4.1Å; I267-V286 HydrophobicContact CD1-CG1 3.73Å; I267-V286 HydrophobicContact CD1-CG2 3.68Å; I267-N288 PolarHBondContact N-O 3.22Å; I267-M289 HydrophobicContact CB-CB 4.46Å; I267-M289 HydrophobicContact CB-CE 4.37Å; I267-M289 HydrophobicContact CB-CG 4.2Å; I267-M289 HydrophobicContact CD1-CE 4.03Å; I267-M289 HydrophobicContact CG2-CG 4.41Å; I267-M289 CarbonylContact O-C 3.57Å; I267-M289 WeakPolarHBondContact O-CA 3.48Å; I267-L290 PolarHBondContact O-N 2.93Å
268	I	98.9	Very high	95.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.9	156.7	-66.3	170.8	0	0	0	107.1	L70 L78 Q79 V80 I81 L270 I326 L327	L70-I268 HydrophobicContact CD1-CD1 4.16Å; L70-I268 HydrophobicContact CD1-CG1 3.84Å; L78-I268 HydrophobicContact CD1-CD1 4.04Å; L78-I268 HydrophobicContact CD1-CG1 4.02Å; Q79-I268 PolarHBondContact O-N 2.97Å; Q79-I268 VanDerWaalsContact O-N 3.11Å; V80-I268 WeakPolarHBondContact CA-O 2.93Å; V80-I268 HydrophobicContact CG2-CB 4.49Å; I81-I268 PolarHBondContact N-O 2.76Å; I268-L270 HydrophobicContact CG2-CD2 3.65Å; I268-L270 HydrophobicContact CG2-CG 4.15Å; I268-I326 HydrophobicContact CD1-CG2 4.02Å; I268-L327 HydrophobicContact CD1-CD2 3.77Å; I268-L327 HydrophobicContact CD1-CG 4.48Å
269	L	98.9	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.8	176.5	-174.9	149.5	0	0	0	109.5	I81 I267 M279 A280 L290 K291 V292 Y310	I81-L269 CarbonylContact O-C 3.54Å; I81-L269 VanDerWaalsContact O-CA 3.23Å; I81-L269 WeakPolarHBondContact O-CA 2.92Å; I267-L269 HydrophobicContact CG2-CB 4.37Å; L269-M279 HydrophobicContact CD1-CB 4.31Å; L269-M279 HydrophobicContact CD2-CE 4.31Å; L269-M279 HydrophobicContact CG-CE 4.23Å; L269-A280 HydrophobicContact CD1-CB 3.92Å; L269-L290 PolarHBondContact N-O 2.99Å; L269-K291 HydrophobicContact CB-CG 4.35Å; L269-K291 HydrophobicContact CD2-CG 4.46Å; L269-K291 WeakPolarHBondContact O-CA 3.45Å; L269-V292 PolarHBondContact O-N 2.94Å; L269-Y310 HydrophobicContact CD2-CE1 4.15Å
270	L	98.9	Very high	96	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.7	176.9	-49.1	179.8	0	0	0	109.8	I81 T82 D83 T87 I88 F183 I268 M279 V292 F294 P323	I81-L270 PolarHBondContact O-N 3.41Å; T82-L270 WeakPolarHBondContact CA-O 3.17Å; T82-L270 WeakPolarHBondContact OG1-CB 3.04Å; D83-L270 PolarHBondContact N-O 2.78Å; T87-L270 HydrophobicContact CG2-CB 3.8Å; I88-L270 HydrophobicContact CD1-CD1 4.46Å; F183-L270 HydrophobicContact CE2-CD1 3.97Å; F183-L270 HydrophobicContact CZ-CD1 3.65Å; I268-L270 HydrophobicContact CG2-CD2 3.65Å; I268-L270 HydrophobicContact CG2-CG 4.15Å; L270-M279 VanDerWaalsContact O-CE 3.27Å; L270-M279 WeakPolarHBondContact O-CE 3.41Å; L270-V292 WeakPolarHBondContact CA-O 3.29Å; L270-V292 HydrophobicContact CD2-CB 3.63Å; L270-V292 HydrophobicContact CD2-CG1 4.37Å; L270-V292 HydrophobicContact CD2-CG2 3.89Å; L270-F294 HydrophobicContact CB-CE2 4.41Å; L270-P323 HydrophobicContact CD2-CG 4.2Å
271	G	98.6	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	166.7	176.5	0	0	0	0	0	112	T87 V292 G293 F294	T87-G271 VanDerWaalsContact OG1-C 3.22Å; T87-G271 WeakPolarHBondContact OG1-CA 3.37Å; G271-V292 PolarHBondContact N-O 3.11Å; G271-V292 VanDerWaalsContact N-O 3.11Å; G271-G293 CarbonylContact O-C 3.54Å; G271-G293 WeakPolarHBondContact O-CA 3.17Å; G271-F294 PolarHBondContact O-N 3.08Å
272	D	97.8	Very high	96	Very high	34 Å²	34	26 Å²	26	18%	0.182	13%	0.129	C	C	.	.	S	Bend	trans	-120.2	-3.1	178.5	72.7	-61.8	0	0	0	112.3	M86 T87 D276 F294 Y306	M86-D272 HydrophobicContact CB-CB 4.37Å; M86-D272 WeakPolarHBondContact CB-OD2 3.4Å; T87-D272 WeakPolarHBondContact OG1-CB 3.12Å; T87-D272 PolarHBondContact OG1-N 3.47Å; T87-D272 PolarHBondContact OG1-OD1 2.91Å; D272-D276 PolarHBondContact N-OD2 3.1Å; D272-D276 VanDerWaalsContact N-OD2 3.11Å; D272-F294 WeakPolarHBondContact CA-O 3.48Å; D272-F294 HydrophobicContact CB-CB 4Å; D272-F294 WeakPolarHBondContact CB-O 3.46Å; D272-Y306 PolarHBondContact O-OH 3.37Å
273	S	95	Very high	96.1	Very high	17 Å²	17	19.2 Å²	19.2	12%	0.119	11%	0.105	C	C	.	.	S	Bend	trans	-123.9	167.7	-179.7	81.2	0	0	0	0	112.5	G275 D276 Y310	S273-G275 VanDerWaalsContact C-N 3.27Å; S273-G275 PolarHBondContact O-N 3.41Å; S273-G275 PolarHBondContact OG-N 3.28Å; S273-D276 WeakPolarHBondContact CA-OD2 3.36Å; S273-D276 WeakPolarHBondContact CB-OD2 3.41Å; S273-D276 PolarHBondContact N-OD2 3.17Å; S273-D276 PolarHBondContact OG-N 3.12Å; S273-D276 PolarHBondContact OG-OD1 3.21Å; S273-D276 PolarHBondContact OG-OD2 2.73Å; S273-Y310 PolarHBondContact O-OH 2.96Å
274	M	92.4	Very high	95.9	Very high	22 Å²	22	17.1 Å²	17.1	11%	0.108	10%	0.097	C	C	.	.	S	Bend	trans	-71	-23.9	171.9	-67.6	-73.4	150	0	0	112.8	M137 D276 L277 K305 Y306 C309	M137-M274 HydrophobicContact CE-CB 3.47Å; M137-M274 VanDerWaalsContact CE-CB 3.47Å; M137-M274 WeakPolarHBondContact CE-O 3.38Å; M274-D276 VanDerWaalsContact C-N 3.27Å; M274-D276 PolarHBondContact O-N 3.08Å; M274-L277 WeakPolarHBondContact O-CD1 3.45Å; M274-L277 HydrophobicContact SD-CD1 4.01Å; M274-K305 HydrophobicContact CE-CB 4.37Å; M274-K305 HydrophobicContact CE-CD 4.24Å; M274-K305 HydrophobicContact CE-CG 3.83Å; M274-K305 HydrophobicContact SD-CD 4.37Å; M274-K305 HydrophobicContact SD-CG 4.19Å; M274-Y306 HydrophobicContact CE-CD1 4.13Å; M274-Y306 HydrophobicContact CE-CD2 3.09Å; M274-Y306 HydrophobicContact CE-CE1 4.25Å; M274-Y306 HydrophobicContact CE-CE2 3.26Å; M274-Y306 HydrophobicContact CE-CG 3.57Å; M274-C309 HydrophobicContact SD-CB 4.24Å
275	G	92	Very high	95.6	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-69.9	-27.6	179	0	0	0	0	0	113	V244 S273 L277 T278	V244-G275 WeakPolarHBondContact O-CA 3.26Å; S273-G275 VanDerWaalsContact C-N 3.27Å; S273-G275 PolarHBondContact O-N 3.41Å; S273-G275 PolarHBondContact OG-N 3.28Å; G275-L277 PolarHBondContact O-N 3.03Å; G275-T278 PolarHBondContact O-N 3.12Å; G275-T278 PolarHBondContact O-OG1 3.4Å
276	D	97.1	Very high	95.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-67.6	-22	-177.6	-61.6	-38.4	0	0	0	113.6	K247 D272 S273 M274 T278 M279	K247-D276 WeakPolarHBondContact CD-OD1 3.37Å; K247-D276 VanDerWaalsContact CE-OD1 3.29Å; K247-D276 WeakPolarHBondContact CE-OD1 3.46Å; K247-D276 IonicContact NZ-OD1 3.97Å; K247-D276 PolarHBondContact NZ-OD1 3.04Å; D272-D276 PolarHBondContact N-OD2 3.1Å; D272-D276 VanDerWaalsContact N-OD2 3.11Å; S273-D276 WeakPolarHBondContact CA-OD2 3.36Å; S273-D276 WeakPolarHBondContact CB-OD2 3.41Å; S273-D276 PolarHBondContact N-OD2 3.17Å; S273-D276 PolarHBondContact OG-N 3.12Å; S273-D276 PolarHBondContact OG-OD1 3.21Å; S273-D276 PolarHBondContact OG-OD2 2.73Å; M274-D276 VanDerWaalsContact C-N 3.27Å; M274-D276 PolarHBondContact O-N 3.08Å; D276-T278 PolarHBondContact O-N 2.94Å; D276-M279 HydrophobicContact CB-CE 3.62Å; D276-M279 HydrophobicContact CB-SD 4.19Å; D276-M279 WeakPolarHBondContact O-CB 3.49Å; D276-M279 WeakPolarHBondContact O-CE 3.16Å; D276-M279 VanDerWaalsContact O-CG 3.28Å; D276-M279 WeakPolarHBondContact O-CG 3.39Å; D276-M279 PolarHBondContact O-N 3.2Å
277	L	96.5	Very high	95.5	Very high	26 Å²	26	27.7 Å²	27.7	14%	0.136	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.4	-18.7	178	-64.9	167.1	0	0	0	113.5	M274 G275 K291 C309 Y310	M274-L277 WeakPolarHBondContact O-CD1 3.45Å; M274-L277 HydrophobicContact SD-CD1 4.01Å; G275-L277 PolarHBondContact O-N 3.03Å; L277-K291 HydrophobicContact CD2-CD 3.89Å; L277-C309 HydrophobicContact CD1-CB 3.52Å; L277-C309 HydrophobicContact CD2-CB 4.27Å; L277-C309 WeakPolarHBondContact CD2-O 3.31Å; L277-Y310 HydrophobicContact CD1-CE2 4.43Å; L277-Y310 HydrophobicContact CD2-CD1 3.91Å; L277-Y310 HydrophobicContact CD2-CD2 4.05Å; L277-Y310 HydrophobicContact CD2-CE1 3.6Å; L277-Y310 HydrophobicContact CD2-CE2 3.75Å; L277-Y310 HydrophobicContact CD2-CG 4.12Å; L277-Y310 HydrophobicContact CG-CE1 4.45Å; L277-Y310 HydrophobicContact CG-CE2 4.08Å
278	T	95.4	Very high	95.5	Very high	36 Å²	36	29.5 Å²	29.5	22%	0.221	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-97.4	-1.6	-179	64.5	0	0	0	0	113.7	H248 G275 D276 A280 D281	H248-T278 HydrophobicContact CB-CG2 4.38Å; H248-T278 PolarHBondContact N-OG1 3.44Å; H248-T278 VanDerWaalsContact N-OG1 3.1Å; G275-T278 PolarHBondContact O-N 3.12Å; G275-T278 PolarHBondContact O-OG1 3.4Å; D276-T278 PolarHBondContact O-N 2.94Å; T278-A280 PolarHBondContact O-N 3.33Å; T278-A280 VanDerWaalsContact O-N 3.11Å; T278-D281 VanDerWaalsContact CB-OD2 3.29Å; T278-D281 WeakPolarHBondContact CB-OD2 3.46Å; T278-D281 WeakPolarHBondContact O-CB 3.44Å; T278-D281 PolarHBondContact O-N 3.14Å; T278-D281 VanDerWaalsContact O-N 3.12Å
279	M	97.1	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20	-176.6	-69.7	-172.9	-55.6	0	0	113.9	I81 D83 F197 K247 L269 L270 D276	I81-M279 HydrophobicContact CG2-CB 3.55Å; I81-M279 HydrophobicContact CG2-CE 4.4Å; D83-M279 HydrophobicContact CB-CE 4.21Å; D83-M279 HydrophobicContact CB-SD 4.2Å; F197-M279 HydrophobicContact CB-CG 4.4Å; F197-M279 HydrophobicContact CB-SD 3.9Å; F197-M279 HydrophobicContact CD2-CB 3.92Å; F197-M279 HydrophobicContact CD2-CG 3.69Å; F197-M279 HydrophobicContact CD2-SD 4.27Å; F197-M279 HydrophobicContact CE2-CG 4.32Å; F197-M279 HydrophobicContact CG-CG 4.32Å; F197-M279 HydrophobicContact CG-SD 4.34Å; K247-M279 HydrophobicContact CB-CG 4.03Å; K247-M279 HydrophobicContact CD-CG 3.5Å; K247-M279 VanDerWaalsContact CD-CG 3.5Å; K247-M279 HydrophobicContact CD-SD 3.65Å; K247-M279 HydrophobicContact CG-CG 4.4Å; K247-M279 PolarHBondContact NZ-SD 2.92Å; K247-M279 VanDerWaalsContact NZ-SD 3.44Å; L269-M279 HydrophobicContact CD1-CB 4.31Å; L269-M279 HydrophobicContact CD2-CE 4.31Å; L269-M279 HydrophobicContact CG-CE 4.23Å; L270-M279 VanDerWaalsContact O-CE 3.27Å; L270-M279 WeakPolarHBondContact O-CE 3.41Å; D276-M279 HydrophobicContact CB-CE 3.62Å; D276-M279 HydrophobicContact CB-SD 4.19Å; D276-M279 WeakPolarHBondContact O-CB 3.49Å; D276-M279 WeakPolarHBondContact O-CE 3.16Å; D276-M279 VanDerWaalsContact O-CG 3.28Å; D276-M279 WeakPolarHBondContact O-CG 3.39Å; D276-M279 PolarHBondContact O-N 3.2Å
280	A	95.5	Very high	95.4	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.1	179.3	0	0	0	0	0	114	I81 L269 T278 G282 V283 M289	I81-A280 HydrophobicContact CD1-CB 3.79Å; L269-A280 HydrophobicContact CD1-CB 3.92Å; T278-A280 PolarHBondContact O-N 3.33Å; T278-A280 VanDerWaalsContact O-N 3.11Å; A280-G282 PolarHBondContact O-N 3Å; A280-G282 VanDerWaalsContact O-N 3.15Å; A280-V283 HydrophobicContact CB-CG2 4.2Å; A280-V283 VanDerWaalsContact O-CB 3.29Å; A280-V283 WeakPolarHBondContact O-CB 3.44Å; A280-V283 VanDerWaalsContact O-CG2 3.3Å; A280-V283 WeakPolarHBondContact O-CG2 3.47Å; A280-V283 PolarHBondContact O-N 3.06Å; A280-M289 HydrophobicContact CB-CE 3.41Å; A280-M289 VanDerWaalsContact CB-CE 3.41Å; A280-M289 HydrophobicContact CB-SD 4.29Å
281	D	93.8	Very high	95.4	Very high	73 Å²	73	33.7 Å²	33.7	39%	0.39	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19	-174.1	-68.6	-6.9	0	0	0	113.4	H248 A251 T278 V283	H248-D281 IonicContact CE1-OD2 3.59Å; H248-D281 IonicContact CG-OD2 2.69Å; H248-D281 IonicContact ND1-OD2 2.61Å; H248-D281 PolarHBondContact ND1-OD2 3.39Å; A251-D281 HydrophobicContact CB-CB 4.45Å; T278-D281 VanDerWaalsContact CB-OD2 3.29Å; T278-D281 WeakPolarHBondContact CB-OD2 3.46Å; T278-D281 WeakPolarHBondContact O-CB 3.44Å; T278-D281 PolarHBondContact O-N 3.14Å; T278-D281 VanDerWaalsContact O-N 3.12Å; D281-V283 VanDerWaalsContact C-N 3.31Å
282	G	91.6	Very high	95.4	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7	172.4	0	0	0	0	0	114.7	F258 A280	F258-G282 WeakPolarHBondContact CB-O 3.28Å; F258-G282 WeakPolarHBondContact CD2-O 3.47Å; A280-G282 PolarHBondContact O-N 3Å; A280-G282 VanDerWaalsContact O-N 3.15Å
283	V	93.1	Very high	95.5	Very high	14 Å²	14	32.1 Å²	32.1	9%	0.085	18%	0.176	C	C	.	.			trans	-78.4	120.7	-177.3	-178	0	0	0	0	110	I81 F258 I267 A280 D281 V286	I81-V283 HydrophobicContact CD1-CG2 3.66Å; F258-V283 HydrophobicContact CD1-CG2 3.75Å; F258-V283 HydrophobicContact CE1-CG2 3.88Å; F258-V283 HydrophobicContact CG-CG2 4.29Å; I267-V283 HydrophobicContact CD1-CG1 4.04Å; A280-V283 HydrophobicContact CB-CG2 4.2Å; A280-V283 VanDerWaalsContact O-CB 3.29Å; A280-V283 WeakPolarHBondContact O-CB 3.44Å; A280-V283 VanDerWaalsContact O-CG2 3.3Å; A280-V283 WeakPolarHBondContact O-CG2 3.47Å; A280-V283 PolarHBondContact O-N 3.06Å; D281-V283 VanDerWaalsContact C-N 3.31Å; V283-V286 HydrophobicContact CB-CG2 4.2Å; V283-V286 HydrophobicContact CG1-CG2 3.89Å
284	P	89.3	Confident	95.7	Very high	65 Å²	65	31.3 Å²	31.3	42%	0.422	17%	0.17	S	C	.	.	S	Bend	trans	-72	-35.9	-171.2	26.4	-34.7	0	0	0	113.8	R262	R262-P284 HydrophobicContact CB-CG 4.33Å
285	N	90.8	Very high	95.9	Very high	98 Å²	98	30.3 Å²	30.3	52%	0.524	17%	0.165	S	C	.	.			trans	-133.7	121	-176.6	-64	-44	0	0	0	109.8	S265	S265-N285 WeakPolarHBondContact CA-O 3.32Å
286	V	96.6	Very high	96.1	Very high	70 Å²	70	30.7 Å²	30.7	42%	0.424	17%	0.167	S	C	.	.			trans	-119.6	112.3	177.9	179.8	0	0	0	0	108.6	I267 V283 M289	I267-V286 HydrophobicContact CD1-CB 4.1Å; I267-V286 HydrophobicContact CD1-CG1 3.73Å; I267-V286 HydrophobicContact CD1-CG2 3.68Å; V283-V286 HydrophobicContact CB-CG2 4.2Å; V283-V286 HydrophobicContact CG1-CG2 3.89Å; V286-M289 HydrophobicContact CG1-CB 3.78Å; V286-M289 HydrophobicContact CG1-CE 3.96Å; V286-M289 HydrophobicContact CG2-CE 3.98Å
287	E	97.4	Very high	95.8	Very high	111 Å²	111	34 Å²	34	52%	0.519	18%	0.184	S	C	.	.	S	Bend	trans	-85.9	-48.5	170.8	-77.8	-177	-163.4	0	0	110.6	K77 S265	K77-E287 IonicContact NZ-OE1 2.74Å; K77-E287 PolarHBondContact NZ-OE1 2.8Å; K77-E287 IonicContact NZ-OE2 2.77Å; K77-E287 PolarHBondContact NZ-OE2 2.74Å; S265-E287 PolarHBondContact O-N 2.88Å; S265-E287 WeakPolarHBondContact OG-CG 3.38Å; S265-E287 PolarHBondContact OG-OE1 3.41Å
288	N	98.3	Very high	95.5	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.6	179	-56.2	-84.7	0	0	0	109.1	I66 L70 S265 N266 I267	I66-N288 HydrophobicContact CG2-CB 4.44Å; L70-N288 HydrophobicContact CD2-CB 4Å; S265-N288 PolarHBondContact O-N 2.96Å; N266-N288 CarbonylContact C-O 2.97Å; N266-N288 WeakPolarHBondContact CA-O 3.46Å; N266-N288 WeakPolarHBondContact OD1-CB 3.14Å; N266-N288 PolarHBondContact OD1-ND2 3.32Å; I267-N288 PolarHBondContact N-O 3.22Å
289	M	98.5	Very high	95.4	Very high	38 Å²	38	35 Å²	35	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.6	174.3	-179.4	-178.8	-67.9	0	0	109	I267 A280 V286 K291	I267-M289 HydrophobicContact CB-CB 4.46Å; I267-M289 HydrophobicContact CB-CE 4.37Å; I267-M289 HydrophobicContact CB-CG 4.2Å; I267-M289 HydrophobicContact CD1-CE 4.03Å; I267-M289 HydrophobicContact CG2-CG 4.41Å; I267-M289 CarbonylContact O-C 3.57Å; I267-M289 WeakPolarHBondContact O-CA 3.48Å; A280-M289 HydrophobicContact CB-CE 3.41Å; A280-M289 VanDerWaalsContact CB-CE 3.41Å; A280-M289 HydrophobicContact CB-SD 4.29Å; V286-M289 HydrophobicContact CG1-CB 3.78Å; V286-M289 HydrophobicContact CG1-CE 3.96Å; V286-M289 HydrophobicContact CG2-CE 3.98Å; M289-K291 HydrophobicContact CG-CG 4.17Å; M289-K291 HydrophobicContact SD-CD 4.48Å; M289-K291 WeakPolarHBondContact SD-CE 3.46Å; M289-K291 HydrophobicContact SD-CG 4.27Å
290	L	98.8	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.1	172	-175.9	67.5	0	0	0	109.1	V63 I66 I67 L70 I267 L269 V292 D311 I312 I326	V63-L290 HydrophobicContact CG1-CD1 4.33Å; I66-L290 HydrophobicContact CB-CD1 4.48Å; I66-L290 HydrophobicContact CG2-CB 3.71Å; I66-L290 HydrophobicContact CG2-CD1 4.11Å; I66-L290 HydrophobicContact CG2-CG 4.49Å; I67-L290 HydrophobicContact CG1-CD2 4.06Å; L70-L290 HydrophobicContact CD1-CB 3.99Å; L70-L290 HydrophobicContact CD1-CD2 4.14Å; I267-L290 PolarHBondContact O-N 2.93Å; L269-L290 PolarHBondContact N-O 2.99Å; L290-V292 HydrophobicContact CD2-CG2 4.37Å; L290-V292 HydrophobicContact CG-CG2 4.28Å; L290-D311 HydrophobicContact CD1-CB 3.93Å; L290-I312 HydrophobicContact CD1-CD1 4.13Å; L290-I312 HydrophobicContact CD1-CG1 4.43Å; L290-I312 HydrophobicContact CD2-CD1 4.23Å; L290-I326 HydrophobicContact CD2-CD1 3.6Å; L290-I326 HydrophobicContact CD2-CG1 4.49Å; L290-I326 HydrophobicContact CD2-CG2 4.36Å
291	K	98.9	Very high	95	Very high	54 Å²	54	49.8 Å²	49.8	24%	0.235	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.3	177.4	-58.1	-179.5	178.6	-171.3	0	110	L269 L277 M289 Y310 D311 I312	L269-K291 HydrophobicContact CB-CG 4.35Å; L269-K291 HydrophobicContact CD2-CG 4.46Å; L269-K291 WeakPolarHBondContact O-CA 3.45Å; L277-K291 HydrophobicContact CD2-CD 3.89Å; M289-K291 HydrophobicContact CG-CG 4.17Å; M289-K291 HydrophobicContact SD-CD 4.48Å; M289-K291 WeakPolarHBondContact SD-CE 3.46Å; M289-K291 HydrophobicContact SD-CG 4.27Å; K291-Y310 HydrophobicContact CB-CD1 3.75Å; K291-Y310 HydrophobicContact CB-CE1 4.36Å; K291-D311 PolarHBondContact N-OD2 3.38Å; K291-D311 PolarHBondContact O-N 3.39Å; K291-I312 PolarHBondContact O-N 3.2Å; K291-I312 VanDerWaalsContact O-N 3.11Å
292	V	98.9	Very high	94.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.9	176.4	-172.3	0	0	0	0	109.2	L269 L270 G271 L290 Y310 I312 L314	L269-V292 PolarHBondContact O-N 2.94Å; L270-V292 WeakPolarHBondContact CA-O 3.29Å; L270-V292 HydrophobicContact CD2-CB 3.63Å; L270-V292 HydrophobicContact CD2-CG1 4.37Å; L270-V292 HydrophobicContact CD2-CG2 3.89Å; G271-V292 PolarHBondContact N-O 3.11Å; G271-V292 VanDerWaalsContact N-O 3.11Å; L290-V292 HydrophobicContact CD2-CG2 4.37Å; L290-V292 HydrophobicContact CG-CG2 4.28Å; V292-Y310 VanDerWaalsContact C-CD1 3.45Å; V292-I312 CarbonylContact C-O 3.6Å; V292-I312 WeakPolarHBondContact CA-O 3.19Å; V292-I312 HydrophobicContact CG1-CB 4.34Å; V292-I312 HydrophobicContact CG1-CG2 4.36Å; V292-I312 HydrophobicContact CG2-CB 4.38Å; V292-I312 HydrophobicContact CG2-CD1 4.37Å; V292-L314 HydrophobicContact CG1-CD1 3.64Å; V292-L314 HydrophobicContact CG1-CG 3.93Å
293	G	98.8	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125	-176.7	0	0	0	0	0	112.1	G271 Y310 I312 V313 L314	G271-G293 CarbonylContact O-C 3.54Å; G271-G293 WeakPolarHBondContact O-CA 3.17Å; G293-Y310 VanDerWaalsContact CA-CD1 3.4Å; G293-I312 PolarHBondContact N-O 3.28Å; G293-V313 CarbonylContact O-C 3.59Å; G293-V313 WeakPolarHBondContact O-CA 3.42Å; G293-L314 PolarHBondContact O-N 2.98Å
294	F	98.7	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.3	172.6	-66.5	-87.1	0	0	0	110.3	T87 L270 G271 D272 N296 L314 L320 P323	T87-F294 HydrophobicContact CG2-CD2 3.93Å; T87-F294 HydrophobicContact CG2-CE2 3.97Å; L270-F294 HydrophobicContact CB-CE2 4.41Å; G271-F294 PolarHBondContact O-N 3.08Å; D272-F294 WeakPolarHBondContact CA-O 3.48Å; D272-F294 HydrophobicContact CB-CB 4Å; D272-F294 WeakPolarHBondContact CB-O 3.46Å; F294-N296 PolarHBondContact O-N 3.11Å; F294-L314 HydrophobicContact CD1-CB 3.95Å; F294-L314 HydrophobicContact CD1-CD1 4Å; F294-L314 HydrophobicContact CE1-CB 4.22Å; F294-L314 HydrophobicContact CE1-CD1 3.42Å; F294-L314 VanDerWaalsContact CE1-CD1 3.42Å; F294-L314 HydrophobicContact CE1-CG 4.42Å; F294-L314 HydrophobicContact CZ-CD1 3.78Å; F294-L320 HydrophobicContact CZ-CD2 3.81Å; F294-P323 HydrophobicContact CZ-CG 4.43Å
295	L	97.7	Very high	95.3	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	92.5	177.4	-179.3	55.6	0	0	0	109.9	D297 V299 H302 L303 Y306 V313 L314 V315 K316	L295-D297 VanDerWaalsContact CD1-O 3.31Å; L295-D297 WeakPolarHBondContact CD1-O 3.3Å; L295-V299 HydrophobicContact CD2-CG1 4.26Å; L295-V299 HydrophobicContact CG-CG2 4.35Å; L295-H302 HydrophobicContact CD1-CB 3.86Å; L295-H302 HydrophobicContact CD2-CB 4.42Å; L295-L303 VanDerWaalsContact CD2-CA 3.48Å; L295-L303 HydrophobicContact CD2-CB 3.88Å; L295-L303 HydrophobicContact CD2-CD1 4.01Å; L295-Y306 HydrophobicContact CB-CD1 4.1Å; L295-Y306 HydrophobicContact CB-CE1 4.36Å; L295-Y306 HydrophobicContact CB-CG 4.43Å; L295-Y306 HydrophobicContact CD1-CD1 4.35Å; L295-Y306 HydrophobicContact CD1-CD2 3.96Å; L295-Y306 HydrophobicContact CD1-CE1 4.18Å; L295-Y306 HydrophobicContact CD1-CE2 3.77Å; L295-Y306 HydrophobicContact CD1-CG 4.25Å; L295-Y306 HydrophobicContact CD2-CD2 4.42Å; L295-Y306 HydrophobicContact CD2-CG 4.3Å; L295-V313 HydrophobicContact CB-CG1 3.77Å; L295-V313 HydrophobicContact CD2-CG1 4.36Å; L295-L314 PolarHBondContact N-O 3.31Å; L295-V315 HydrophobicContact CB-CG2 4.35Å; L295-V315 HydrophobicContact CD2-CG2 4.33Å; L295-K316 PolarHBondContact O-N 3.35Å
296	N	95.9	Very high	95.6	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.053	25%	0.249	C	C	.	.			trans	-88.5	-30.7	-169.6	-65	-47.7	0	0	0	114.4	M86 F91 R177 F294	M86-N296 WeakPolarHBondContact CB-ND2 3.49Å; M86-N296 PolarHBondContact O-ND2 2.89Å; F91-N296 HydrophobicContact CB-CB 3.68Å; F91-N296 HydrophobicContact CD1-CB 3.99Å; F91-N296 HydrophobicContact CD2-CB 3.53Å; F91-N296 HydrophobicContact CE1-CB 4.49Å; F91-N296 HydrophobicContact CE2-CB 4.08Å; F91-N296 HydrophobicContact CG-CB 3.47Å; F91-N296 VanDerWaalsContact CG-CB 3.47Å; R177-N296 PolarHBondContact NH2-OD1 3.12Å; F294-N296 PolarHBondContact O-N 3.11Å
297	D	90.9	Very high	95.7	Very high	69 Å²	69	49.1 Å²	49.1	37%	0.369	24%	0.236	S	C	.	.	S	Bend	trans	-136.6	164.1	-176.1	-160.8	3.7	0	0	0	111.1	F91 L295 V299	F91-D297 HydrophobicContact CE2-CB 4.23Å; F91-D297 HydrophobicContact CZ-CB 3.8Å; L295-D297 VanDerWaalsContact CD1-O 3.31Å; L295-D297 WeakPolarHBondContact CD1-O 3.3Å; D297-V299 PolarHBondContact O-N 2.75Å; D297-V299 VanDerWaalsContact O-N 3.12Å
298	K	89.7	Confident	95.7	Very high	58 Å²	58	48.8 Å²	48.8	25%	0.252	24%	0.238	S	C	.	.			trans	49	41.7	175.7	-65.3	-177.2	152.1	-146.3	0	114.5	I131 E300 E301 H302	I131-K298 HydrophobicContact CD1-CD 3.86Å; I131-K298 HydrophobicContact CG1-CD 4.31Å; K298-E300 VanDerWaalsContact C-N 3.3Å; K298-E300 PolarHBondContact O-N 3.43Å; K298-E301 HydrophobicContact CB-CB 4.34Å; K298-E301 IonicContact NZ-OE1 2.71Å; K298-E301 IonicContact NZ-OE2 3.51Å; K298-E301 PolarHBondContact NZ-OE2 3.12Å; K298-E301 PolarHBondContact O-N 3.46Å; K298-H302 PolarHBondContact O-N 3.31Å; K298-H302 VanDerWaalsContact O-N 3.12Å
299	V	93.1	Very high	95.6	Very high	27 Å²	27	49.3 Å²	49.3	16%	0.164	24%	0.244	C	C	.	.	H	α-helix	trans	-52	-47.7	-172.5	179.1	0	0	0	0	112.1	L295 D297 E301 H302 L303 V315 K316	L295-V299 HydrophobicContact CD2-CG1 4.26Å; L295-V299 HydrophobicContact CG-CG2 4.35Å; D297-V299 PolarHBondContact O-N 2.75Å; D297-V299 VanDerWaalsContact O-N 3.12Å; V299-E301 VanDerWaalsContact C-N 3.3Å; V299-E301 PolarHBondContact O-N 3.34Å; V299-H302 PolarHBondContact O-N 2.85Å; V299-L303 HydrophobicContact CG1-CB 4.33Å; V299-L303 HydrophobicContact CG1-CD2 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.48Å; V299-L303 PolarHBondContact O-N 3.02Å; V299-V315 HydrophobicContact CB-CG1 4.29Å; V299-V315 HydrophobicContact CG1-CG1 3.55Å; V299-V315 HydrophobicContact CG1-CG2 4.26Å; V299-V315 HydrophobicContact CG2-CG1 3.68Å; V299-K316 HydrophobicContact CG2-CD 4.28Å; V299-K316 HydrophobicContact CG2-CG 4.1Å
300	E	92.8	Very high	95.6	Very high	200 Å²	200	47.7 Å²	47.7	94%	0.935	24%	0.236	S	C	*	.	H	α-helix	trans	-62.4	-36.2	-178.2	-63.6	-179.8	-174.3	0	0	112.7	K298	K298-E300 VanDerWaalsContact C-N 3.3Å; K298-E300 PolarHBondContact O-N 3.43Å
301	E	90.9	Very high	95.6	Very high	113 Å²	113	48.4 Å²	48.4	53%	0.528	24%	0.24	S	C	.	.	H	α-helix	trans	-78	-24.8	-179.3	-64.4	170.4	-140	0	0	112.7	K298 V299	K298-E301 HydrophobicContact CB-CB 4.34Å; K298-E301 IonicContact NZ-OE1 2.71Å; K298-E301 IonicContact NZ-OE2 3.51Å; K298-E301 PolarHBondContact NZ-OE2 3.12Å; K298-E301 PolarHBondContact O-N 3.46Å; V299-E301 VanDerWaalsContact C-N 3.3Å; V299-E301 PolarHBondContact O-N 3.34Å
302	H	91.1	Very high	95.6	Very high	25 Å²	25	45.9 Å²	45.9	12%	0.116	23%	0.228	C	C	.	.	H	α-helix	trans	-121.5	-19.8	-164.2	-66.8	-14.2	0	0	0	114.4	L295 K298 V299 D304 K305 Y306	L295-H302 HydrophobicContact CD1-CB 3.86Å; L295-H302 HydrophobicContact CD2-CB 4.42Å; K298-H302 PolarHBondContact O-N 3.31Å; K298-H302 VanDerWaalsContact O-N 3.12Å; V299-H302 PolarHBondContact O-N 2.85Å; H302-D304 VanDerWaalsContact C-N 3.31Å; H302-D304 PolarHBondContact O-N 3.12Å; H302-K305 PolarHBondContact O-N 2.96Å; H302-K305 VanDerWaalsContact O-N 3.12Å; H302-Y306 HydrophobicContact CB-CD2 3.9Å; H302-Y306 HydrophobicContact CB-CE2 3.91Å; H302-Y306 VanDerWaalsContact O-CD2 3.28Å; H302-Y306 WeakPolarHBondContact O-CD2 3.3Å; H302-Y306 PolarHBondContact O-N 2.92Å
303	L	95.6	Very high	95.6	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.199	23%	0.229	C	C	.	.	H	α-helix	trans	-54.6	-45.4	-173.2	178.1	59.9	0	0	0	112.9	H56 L295 V299 K305 Y306 M307 V313 V315	H56-L303 HydrophobicContact CB-CD1 4.28Å; L295-L303 VanDerWaalsContact CD2-CA 3.48Å; L295-L303 HydrophobicContact CD2-CB 3.88Å; L295-L303 HydrophobicContact CD2-CD1 4.01Å; V299-L303 HydrophobicContact CG1-CB 4.33Å; V299-L303 HydrophobicContact CG1-CD2 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.48Å; V299-L303 PolarHBondContact O-N 3.02Å; L303-K305 PolarHBondContact O-N 3.26Å; L303-Y306 PolarHBondContact O-N 2.91Å; L303-M307 HydrophobicContact CD1-CG 3.97Å; L303-M307 HydrophobicContact CD1-SD 4.01Å; L303-M307 HydrophobicContact CG-CG 4.38Å; L303-M307 HydrophobicContact CG-SD 4.01Å; L303-M307 WeakPolarHBondContact O-CB 3.41Å; L303-M307 WeakPolarHBondContact O-CG 3.37Å; L303-M307 PolarHBondContact O-N 3.44Å; L303-V313 HydrophobicContact CD1-CG1 4.03Å; L303-V315 HydrophobicContact CD1-CG2 3.72Å
304	D	95.5	Very high	95.6	Very high	97 Å²	97	46 Å²	46	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-45.2	-178.8	-164.1	59.6	0	0	0	111.6	R58 H302 Y306 M307 D308	R58-D304 IonicContact CZ-OD1 2.79Å; R58-D304 VanDerWaalsContact CZ-OD1 3.23Å; R58-D304 IonicContact NH1-OD1 2.74Å; R58-D304 PolarHBondContact NH1-OD1 2.94Å; R58-D304 VanDerWaalsContact NH2-CG 3.26Å; R58-D304 PolarHBondContact NH2-O 3.03Å; R58-D304 IonicContact NH2-OD1 3.96Å; R58-D304 PolarHBondContact NH2-OD1 2.61Å; R58-D304 IonicContact NH2-OD2 3.15Å; H302-D304 VanDerWaalsContact C-N 3.31Å; H302-D304 PolarHBondContact O-N 3.12Å; D304-Y306 PolarHBondContact O-N 3.11Å; D304-M307 PolarHBondContact O-N 2.85Å; D304-D308 PolarHBondContact O-N 3.42Å
305	K	93.3	Very high	95.6	Very high	98 Å²	98	46.9 Å²	46.9	43%	0.426	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-40.5	175.4	-172.4	178.1	-178.9	172.8	0	112.3	M274 H302 L303 D308 C309	M274-K305 HydrophobicContact CE-CB 4.37Å; M274-K305 HydrophobicContact CE-CD 4.24Å; M274-K305 HydrophobicContact CE-CG 3.83Å; M274-K305 HydrophobicContact SD-CD 4.37Å; M274-K305 HydrophobicContact SD-CG 4.19Å; H302-K305 PolarHBondContact O-N 2.96Å; H302-K305 VanDerWaalsContact O-N 3.12Å; L303-K305 PolarHBondContact O-N 3.26Å; K305-D308 PolarHBondContact O-N 2.83Å; K305-C309 PolarHBondContact O-N 3.47Å; K305-C309 PolarHBondContact O-SG 2.96Å
306	Y	97.1	Very high	95.5	Very high	22 Å²	22	53.3 Å²	53.3	9%	0.086	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-42.8	175.1	-87.2	-111.8	0	0	0	111	D272 M274 L295 H302 L303 D304 D308 C309 Y310 V313	D272-Y306 PolarHBondContact O-OH 3.37Å; M274-Y306 HydrophobicContact CE-CD1 4.13Å; M274-Y306 HydrophobicContact CE-CD2 3.09Å; M274-Y306 HydrophobicContact CE-CE1 4.25Å; M274-Y306 HydrophobicContact CE-CE2 3.26Å; M274-Y306 HydrophobicContact CE-CG 3.57Å; L295-Y306 HydrophobicContact CB-CD1 4.1Å; L295-Y306 HydrophobicContact CB-CE1 4.36Å; L295-Y306 HydrophobicContact CB-CG 4.43Å; L295-Y306 HydrophobicContact CD1-CD1 4.35Å; L295-Y306 HydrophobicContact CD1-CD2 3.96Å; L295-Y306 HydrophobicContact CD1-CE1 4.18Å; L295-Y306 HydrophobicContact CD1-CE2 3.77Å; L295-Y306 HydrophobicContact CD1-CG 4.25Å; L295-Y306 HydrophobicContact CD2-CD2 4.42Å; L295-Y306 HydrophobicContact CD2-CG 4.3Å; H302-Y306 HydrophobicContact CB-CD2 3.9Å; H302-Y306 HydrophobicContact CB-CE2 3.91Å; H302-Y306 VanDerWaalsContact O-CD2 3.28Å; H302-Y306 WeakPolarHBondContact O-CD2 3.3Å; H302-Y306 PolarHBondContact O-N 2.92Å; L303-Y306 PolarHBondContact O-N 2.91Å; D304-Y306 PolarHBondContact O-N 3.11Å; Y306-D308 PolarHBondContact O-N 2.96Å; Y306-C309 PolarHBondContact O-N 3.25Å; Y306-C309 VanDerWaalsContact O-N 3.13Å; Y306-Y310 AromaticContact CD1-CD2 3.83Å; Y306-Y310 HydrophobicContact CD1-CD2 3.83Å; Y306-Y310 AromaticContact CD1-CE2 3.97Å; Y306-Y310 HydrophobicContact CD1-CE2 3.97Å; Y306-Y310 HydrophobicContact CE1-CD2 4.41Å; Y306-Y310 HydrophobicContact CE1-CE2 4.08Å; Y306-Y310 HydrophobicContact CG-CD2 4.45Å; Y306-Y310 WeakPolarHBondContact O-CB 3.28Å; Y306-Y310 PolarHBondContact O-N 3.48Å; Y306-V313 HydrophobicContact CD1-CG1 4.42Å
307	M	97.8	Very high	95.6	Very high	32 Å²	32	53.1 Å²	53.1	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-23.9	178.1	-75.3	-176.2	65.2	0	0	113.4	H56 R58 L303 D304 V313	H56-M307 HydrophobicContact CB-CG 4.31Å; H56-M307 HydrophobicContact CB-SD 4.02Å; R58-M307 HydrophobicContact CB-CB 4.29Å; R58-M307 HydrophobicContact CB-CE 4.15Å; R58-M307 WeakPolarHBondContact CB-O 3.38Å; L303-M307 HydrophobicContact CD1-CG 3.97Å; L303-M307 HydrophobicContact CD1-SD 4.01Å; L303-M307 HydrophobicContact CG-CG 4.38Å; L303-M307 HydrophobicContact CG-SD 4.01Å; L303-M307 WeakPolarHBondContact O-CB 3.41Å; L303-M307 WeakPolarHBondContact O-CG 3.37Å; L303-M307 PolarHBondContact O-N 3.44Å; D304-M307 PolarHBondContact O-N 2.85Å; M307-V313 HydrophobicContact CG-CG2 3.99Å
308	D	97.1	Very high	96	Very high	104 Å²	104	51.7 Å²	51.7	56%	0.556	25%	0.252	S	S	*	.	H	α-helix	trans	-78.1	-27.1	172.9	-74.9	-22.8	0	0	0	113.6	R58 D304 K305 Y306	R58-D308 IonicContact CZ-OD1 3.99Å; R58-D308 IonicContact NE-OD1 2.94Å; R58-D308 PolarHBondContact NE-OD1 2.82Å; R58-D308 IonicContact NH2-OD1 2.83Å; R58-D308 PolarHBondContact NH2-OD1 2.95Å; R58-D308 IonicContact NH2-OD2 2.67Å; R58-D308 PolarHBondContact NH2-OD2 3.33Å; D304-D308 PolarHBondContact O-N 3.42Å; K305-D308 PolarHBondContact O-N 2.83Å; Y306-D308 PolarHBondContact O-N 2.96Å
309	C	96.6	Very high	96.4	Very high	49 Å²	49	49.6 Å²	49.6	33%	0.331	25%	0.245	S	C	.	.	H	α-helix	trans	-106.5	-30.5	-171.6	-64.6	0	0	0	0	114.4	M274 L277 K305 Y306	M274-C309 HydrophobicContact SD-CB 4.24Å; L277-C309 HydrophobicContact CD1-CB 3.52Å; L277-C309 HydrophobicContact CD2-CB 4.27Å; L277-C309 WeakPolarHBondContact CD2-O 3.31Å; K305-C309 PolarHBondContact O-N 3.47Å; K305-C309 PolarHBondContact O-SG 2.96Å; Y306-C309 PolarHBondContact O-N 3.25Å; Y306-C309 VanDerWaalsContact O-N 3.13Å
310	Y	98.7	Very high	96.6	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.016	24%	0.237	C	C	.	.			trans	-105.8	140.9	177.2	-74.5	-81.9	0	0	0	110.4	L269 S273 L277 K291 V292 G293 Y306	L269-Y310 HydrophobicContact CD2-CE1 4.15Å; S273-Y310 PolarHBondContact O-OH 2.96Å; L277-Y310 HydrophobicContact CD1-CE2 4.43Å; L277-Y310 HydrophobicContact CD2-CD1 3.91Å; L277-Y310 HydrophobicContact CD2-CD2 4.05Å; L277-Y310 HydrophobicContact CD2-CE1 3.6Å; L277-Y310 HydrophobicContact CD2-CE2 3.75Å; L277-Y310 HydrophobicContact CD2-CG 4.12Å; L277-Y310 HydrophobicContact CG-CE1 4.45Å; L277-Y310 HydrophobicContact CG-CE2 4.08Å; K291-Y310 HydrophobicContact CB-CD1 3.75Å; K291-Y310 HydrophobicContact CB-CE1 4.36Å; V292-Y310 VanDerWaalsContact C-CD1 3.45Å; G293-Y310 VanDerWaalsContact CA-CD1 3.4Å; Y306-Y310 AromaticContact CD1-CD2 3.83Å; Y306-Y310 HydrophobicContact CD1-CD2 3.83Å; Y306-Y310 AromaticContact CD1-CE2 3.97Å; Y306-Y310 HydrophobicContact CD1-CE2 3.97Å; Y306-Y310 HydrophobicContact CE1-CD2 4.41Å; Y306-Y310 HydrophobicContact CE1-CE2 4.08Å; Y306-Y310 HydrophobicContact CG-CD2 4.45Å; Y306-Y310 WeakPolarHBondContact O-CB 3.28Å; Y306-Y310 PolarHBondContact O-N 3.48Å
311	D	98.7	Very high	96.9	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.08	21%	0.207	C	C	.	.	S	Bend	trans	-71.3	-37.3	178	-54.7	-70.3	0	0	0	110.7	R62 V63 L290 K291	R62-D311 IonicContact CZ-OD1 2.59Å; R62-D311 IonicContact NE-OD1 3.54Å; R62-D311 PolarHBondContact NE-OD1 2.89Å; R62-D311 IonicContact NH2-OD1 3.7Å; V63-D311 HydrophobicContact CG2-CB 3.91Å; V63-D311 VanDerWaalsContact CG2-O 3.27Å; V63-D311 WeakPolarHBondContact CG2-O 3.18Å; L290-D311 HydrophobicContact CD1-CB 3.93Å; K291-D311 PolarHBondContact N-OD2 3.38Å; K291-D311 PolarHBondContact O-N 3.39Å
312	I	98.8	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.9	174.4	-56.4	171.1	0	0	0	108.8	F50 V55 M57 V63 L290 K291 V292 G293 L314 V322 I326	F50-I312 HydrophobicContact CE1-CD1 3.68Å; F50-I312 HydrophobicContact CZ-CD1 3.98Å; V55-I312 HydrophobicContact CG1-CG2 4.08Å; M57-I312 HydrophobicContact CG-CG1 4.07Å; M57-I312 HydrophobicContact SD-CG1 4.31Å; V63-I312 HydrophobicContact CG1-CD1 3.87Å; V63-I312 HydrophobicContact CG1-CG1 3.91Å; V63-I312 HydrophobicContact CG2-CG1 4.12Å; L290-I312 HydrophobicContact CD1-CD1 4.13Å; L290-I312 HydrophobicContact CD1-CG1 4.43Å; L290-I312 HydrophobicContact CD2-CD1 4.23Å; K291-I312 PolarHBondContact O-N 3.2Å; K291-I312 VanDerWaalsContact O-N 3.11Å; V292-I312 CarbonylContact C-O 3.6Å; V292-I312 WeakPolarHBondContact CA-O 3.19Å; V292-I312 HydrophobicContact CG1-CB 4.34Å; V292-I312 HydrophobicContact CG1-CG2 4.36Å; V292-I312 HydrophobicContact CG2-CB 4.38Å; V292-I312 HydrophobicContact CG2-CD1 4.37Å; G293-I312 PolarHBondContact N-O 3.28Å; I312-L314 HydrophobicContact CG2-CD2 3.93Å; I312-L314 HydrophobicContact CG2-CG 4.37Å; I312-V322 HydrophobicContact CD1-CG1 4.44Å; I312-V322 HydrophobicContact CG2-CG1 4.46Å; I312-I326 HydrophobicContact CD1-CD1 4.16Å
313	V	98.8	Very high	97.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.5	173	-176.5	0	0	0	0	109.2	H56 G293 L295 L303 Y306 M307 V315	H56-V313 HydrophobicContact CB-CB 4.25Å; H56-V313 PolarHBondContact N-O 3.41Å; H56-V313 PolarHBondContact O-N 2.96Å; G293-V313 CarbonylContact O-C 3.59Å; G293-V313 WeakPolarHBondContact O-CA 3.42Å; L295-V313 HydrophobicContact CB-CG1 3.77Å; L295-V313 HydrophobicContact CD2-CG1 4.36Å; L303-V313 HydrophobicContact CD1-CG1 4.03Å; Y306-V313 HydrophobicContact CD1-CG1 4.42Å; M307-V313 HydrophobicContact CG-CG2 3.99Å; V313-V315 HydrophobicContact CG1-CG2 4.15Å
314	L	98.8	Very high	97.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	101.3	178.2	-58.7	-179.3	0	0	0	109	T54 V55 V292 G293 F294 L295 I312 D317 V322	T54-L314 CarbonylContact O-C 3.15Å; T54-L314 WeakPolarHBondContact O-CA 3.16Å; V55-L314 HydrophobicContact CB-CD2 4.45Å; V55-L314 HydrophobicContact CG1-CD2 4.49Å; V55-L314 HydrophobicContact CG2-CD2 3.78Å; V292-L314 HydrophobicContact CG1-CD1 3.64Å; V292-L314 HydrophobicContact CG1-CG 3.93Å; G293-L314 PolarHBondContact O-N 2.98Å; F294-L314 HydrophobicContact CD1-CB 3.95Å; F294-L314 HydrophobicContact CD1-CD1 4Å; F294-L314 HydrophobicContact CE1-CB 4.22Å; F294-L314 HydrophobicContact CE1-CD1 3.42Å; F294-L314 VanDerWaalsContact CE1-CD1 3.42Å; F294-L314 HydrophobicContact CE1-CG 4.42Å; F294-L314 HydrophobicContact CZ-CD1 3.78Å; L295-L314 PolarHBondContact N-O 3.31Å; I312-L314 HydrophobicContact CG2-CD2 3.93Å; I312-L314 HydrophobicContact CG2-CG 4.37Å; L314-D317 HydrophobicContact CB-CB 3.95Å; L314-V322 HydrophobicContact CD1-CB 4.31Å; L314-V322 HydrophobicContact CD2-CB 4.17Å; L314-V322 HydrophobicContact CD2-CG1 4.36Å; L314-V322 HydrophobicContact CD2-CG2 3.98Å
315	V	98.4	Very high	97.9	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.115	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.4	-175	173	0	0	0	0	110.3	T54 H56 L295 V299 L303 V313 D317	T54-V315 WeakPolarHBondContact CB-O 3.45Å; T54-V315 VanDerWaalsContact CG2-O 3.29Å; T54-V315 WeakPolarHBondContact CG2-O 3.43Å; T54-V315 PolarHBondContact O-N 3.09Å; H56-V315 WeakPolarHBondContact CD2-CG2 3.49Å; L295-V315 HydrophobicContact CB-CG2 4.35Å; L295-V315 HydrophobicContact CD2-CG2 4.33Å; V299-V315 HydrophobicContact CB-CG1 4.29Å; V299-V315 HydrophobicContact CG1-CG1 3.55Å; V299-V315 HydrophobicContact CG1-CG2 4.26Å; V299-V315 HydrophobicContact CG2-CG1 3.68Å; L303-V315 HydrophobicContact CD1-CG2 3.72Å; V313-V315 HydrophobicContact CG1-CG2 4.15Å; V315-D317 PolarHBondContact O-N 3.28Å
316	K	96.9	Very high	98.2	Very high	137 Å²	137	25.1 Å²	25.1	60%	0.596	13%	0.128	S	C	*	.	S	Bend	trans	47.7	30.3	179.1	-61.7	-177.8	174.6	179.7	0	113.4	L295 V299	L295-K316 PolarHBondContact O-N 3.35Å; V299-K316 HydrophobicContact CG2-CD 4.28Å; V299-K316 HydrophobicContact CG2-CG 4.1Å
317	D	97.7	Very high	98.2	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	12%	0.124	C	C	.	.			trans	-77.9	143.5	170.7	-156.1	-54.3	0	0	0	107.1	T54 R177 L314 V315 T319	T54-D317 PolarHBondContact OG1-OD2 3.23Å; R177-D317 VanDerWaalsContact CZ-O 3.27Å; R177-D317 PolarHBondContact NH1-O 2.92Å; R177-D317 PolarHBondContact NH2-O 3.47Å; R177-D317 VanDerWaalsContact NH2-O 3.14Å; L314-D317 HydrophobicContact CB-CB 3.95Å; V315-D317 PolarHBondContact O-N 3.28Å; D317-T319 WeakPolarHBondContact OD1-CA 3.21Å; D317-T319 VanDerWaalsContact OD1-CB 3.28Å; D317-T319 WeakPolarHBondContact OD1-CB 3.42Å; D317-T319 WeakPolarHBondContact OD1-CG2 3.29Å; D317-T319 PolarHBondContact OD1-N 3.46Å; D317-T319 PolarHBondContact OD1-OG1 3.23Å
318	E	97.8	Very high	98.2	Very high	38 Å²	38	27.5 Å²	27.5	18%	0.178	14%	0.14	C	C	.	.			trans	-120.3	19.4	176	-65.8	-67.5	-179.8	0	0	111.4	K90 F91 A92 R177 E178	K90-E318 WeakPolarHBondContact CA-OE2 3.28Å; K90-E318 WeakPolarHBondContact CB-OE2 3.33Å; K90-E318 HydrophobicContact CD-CB 4.2Å; K90-E318 WeakPolarHBondContact CE-O 3.48Å; K90-E318 HydrophobicContact CG-CB 4.38Å; K90-E318 WeakPolarHBondContact CG-OE2 3.49Å; F91-E318 WeakPolarHBondContact CB-OE1 3.47Å; F91-E318 PolarHBondContact N-OE1 2.97Å; F91-E318 PolarHBondContact N-OE2 2.89Å; A92-E318 PolarHBondContact N-OE1 3.33Å; R177-E318 WeakPolarHBondContact CA-O 3.44Å; R177-E318 VanDerWaalsContact NH1-CA 3.34Å; R177-E318 IonicContact NH2-OE2 2.97Å; E178-E318 PolarHBondContact N-O 3.01Å
319	T	98.4	Very high	98.2	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.086	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-120.6	165.6	-176.5	80.8	0	0	0	0	111.3	R177 E178 D317 E321	R177-T319 PolarHBondContact NH1-O 3.37Å; E178-T319 HydrophobicContact CB-CG2 4.08Å; E178-T319 CarbonylContact O-C 3.56Å; E178-T319 WeakPolarHBondContact O-CA 3.35Å; D317-T319 WeakPolarHBondContact OD1-CA 3.21Å; D317-T319 VanDerWaalsContact OD1-CB 3.28Å; D317-T319 WeakPolarHBondContact OD1-CB 3.42Å; D317-T319 WeakPolarHBondContact OD1-CG2 3.29Å; D317-T319 PolarHBondContact OD1-N 3.46Å; D317-T319 PolarHBondContact OD1-OG1 3.23Å; T319-E321 PolarHBondContact OG1-N 3.43Å
320	L	98.8	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.			trans	-108.7	23.9	166.6	-69.3	171.2	0	0	0	111.2	I88 R177 E178 H180 F183 F294 V322 P323 N324	I88-L320 HydrophobicContact CD1-CD1 4.23Å; I88-L320 HydrophobicContact CD1-CD2 4.42Å; R177-L320 HydrophobicContact CB-CD1 4.31Å; R177-L320 HydrophobicContact CB-CG 3.93Å; E178-L320 PolarHBondContact O-N 3.31Å; H180-L320 HydrophobicContact CB-CD1 4.09Å; F183-L320 HydrophobicContact CB-CD1 4.1Å; F183-L320 HydrophobicContact CD1-CD1 4.47Å; F183-L320 HydrophobicContact CG-CD1 4.17Å; F294-L320 HydrophobicContact CZ-CD2 3.81Å; L320-V322 PolarHBondContact O-N 3.39Å; L320-P323 HydrophobicContact CD2-CG 4.12Å; L320-P323 WeakPolarHBondContact O-CD 3.44Å; L320-N324 VanDerWaalsContact O-CB 3.23Å; L320-N324 WeakPolarHBondContact O-CB 3.46Å; L320-N324 PolarHBondContact O-N 3Å; L320-N324 PolarHBondContact O-ND2 3.35Å
321	E	98.3	Very high	98.2	Very high	66 Å²	66	28 Å²	28	31%	0.308	13%	0.134	S	C	.	.	H	α-helix	trans	-61.7	-42.6	-175.7	-79.7	-174.9	-132.5	0	0	113.4	Q49 K52 T319 N324 A325	Q49-E321 HydrophobicContact CG-CB 4.22Å; K52-E321 WeakPolarHBondContact CE-OE2 3.28Å; K52-E321 IonicContact NZ-OE1 3.23Å; K52-E321 PolarHBondContact NZ-OE1 3.11Å; K52-E321 IonicContact NZ-OE2 3.56Å; K52-E321 PolarHBondContact NZ-OE2 3.25Å; T319-E321 PolarHBondContact OG1-N 3.43Å; E321-N324 PolarHBondContact O-N 3.12Å; E321-A325 VanDerWaalsContact O-CB 3.25Å; E321-A325 WeakPolarHBondContact O-CB 3.45Å; E321-A325 PolarHBondContact O-N 3.22Å
322	V	98.6	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-51.9	177.9	170.5	0	0	0	0	111	Q49 F50 V55 I312 L314 L320 N324 A325 I326	Q49-V322 HydrophobicContact CB-CG2 4.06Å; F50-V322 HydrophobicContact CE1-CG1 4.41Å; F50-V322 HydrophobicContact CE2-CG1 3.94Å; F50-V322 HydrophobicContact CZ-CG1 3.87Å; V55-V322 HydrophobicContact CG2-CG2 3.82Å; I312-V322 HydrophobicContact CD1-CG1 4.44Å; I312-V322 HydrophobicContact CG2-CG1 4.46Å; L314-V322 HydrophobicContact CD1-CB 4.31Å; L314-V322 HydrophobicContact CD2-CB 4.17Å; L314-V322 HydrophobicContact CD2-CG1 4.36Å; L314-V322 HydrophobicContact CD2-CG2 3.98Å; L320-V322 PolarHBondContact O-N 3.39Å; V322-N324 VanDerWaalsContact C-N 3.33Å; V322-N324 PolarHBondContact O-N 3.28Å; V322-A325 PolarHBondContact O-N 2.85Å; V322-I326 HydrophobicContact CG1-CD1 4.09Å; V322-I326 WeakPolarHBondContact O-CG1 3.19Å; V322-I326 PolarHBondContact O-N 3.36Å
323	P	98.6	Very high	98.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-52.6	-46.5	170.5	-29	34.6	0	0	0	113.6	F183 L270 F294 L320 A325 I326 L327	F183-P323 HydrophobicContact CD2-CB 4.33Å; F183-P323 HydrophobicContact CE2-CB 4.11Å; L270-P323 HydrophobicContact CD2-CG 4.2Å; F294-P323 HydrophobicContact CZ-CG 4.43Å; L320-P323 HydrophobicContact CD2-CG 4.12Å; L320-P323 WeakPolarHBondContact O-CD 3.44Å; P323-A325 VanDerWaalsContact C-N 3.35Å; P323-A325 PolarHBondContact O-N 3.36Å; P323-I326 PolarHBondContact O-N 3.41Å; P323-L327 WeakPolarHBondContact O-CG 3.27Å; P323-L327 PolarHBondContact O-N 2.71Å
324	N	98.8	Very high	98.1	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-37.4	179.3	-80.8	-31	0	0	0	112.8	G179 Q182 F183 L320 E321 V322 L327 Q328	G179-N324 PolarHBondContact O-ND2 3.32Å; Q182-N324 PolarHBondContact OE1-ND2 3.12Å; F183-N324 WeakPolarHBondContact CA-OD1 3.41Å; F183-N324 VanDerWaalsContact CB-OD1 3.31Å; F183-N324 WeakPolarHBondContact CB-OD1 3.22Å; F183-N324 PolarHBondContact N-OD1 2.88Å; L320-N324 VanDerWaalsContact O-CB 3.23Å; L320-N324 WeakPolarHBondContact O-CB 3.46Å; L320-N324 PolarHBondContact O-N 3Å; L320-N324 PolarHBondContact O-ND2 3.35Å; E321-N324 PolarHBondContact O-N 3.12Å; V322-N324 VanDerWaalsContact C-N 3.33Å; V322-N324 PolarHBondContact O-N 3.28Å; N324-L327 PolarHBondContact O-N 2.95Å; N324-Q328 WeakPolarHBondContact O-CB 3.32Å; N324-Q328 PolarHBondContact O-N 2.88Å
325	A	98.4	Very high	98	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-39.6	176.5	0	0	0	0	0	111.3	M47 Q49 E321 V322 P323 Q328 K329	M47-A325 HydrophobicContact CE-CB 3.46Å; M47-A325 VanDerWaalsContact CE-CB 3.46Å; M47-A325 VanDerWaalsContact CE-O 3.28Å; M47-A325 WeakPolarHBondContact CE-O 3.36Å; Q49-A325 HydrophobicContact CB-CB 4.14Å; Q49-A325 HydrophobicContact CG-CB 3.83Å; E321-A325 VanDerWaalsContact O-CB 3.25Å; E321-A325 WeakPolarHBondContact O-CB 3.45Å; E321-A325 PolarHBondContact O-N 3.22Å; V322-A325 PolarHBondContact O-N 2.85Å; P323-A325 VanDerWaalsContact C-N 3.35Å; P323-A325 PolarHBondContact O-N 3.36Å; A325-Q328 PolarHBondContact O-N 2.98Å; A325-K329 PolarHBondContact O-N 3.29Å
326	I	98.6	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-51.5	173.3	-66	155.6	0	0	0	109.9	M47 F50 I67 L70 I268 L290 I312 V322 P323 Q328 K329 V330	M47-I326 HydrophobicContact CE-CG1 4.32Å; F50-I326 HydrophobicContact CE2-CG1 4.14Å; F50-I326 HydrophobicContact CZ-CD1 3.96Å; F50-I326 HydrophobicContact CZ-CG1 3.85Å; I67-I326 HydrophobicContact CD1-CD1 4.5Å; I67-I326 HydrophobicContact CD1-CG1 4.14Å; L70-I326 HydrophobicContact CD1-CG2 4.31Å; I268-I326 HydrophobicContact CD1-CG2 4.02Å; L290-I326 HydrophobicContact CD2-CD1 3.6Å; L290-I326 HydrophobicContact CD2-CG1 4.49Å; L290-I326 HydrophobicContact CD2-CG2 4.36Å; I312-I326 HydrophobicContact CD1-CD1 4.16Å; V322-I326 HydrophobicContact CG1-CD1 4.09Å; V322-I326 WeakPolarHBondContact O-CG1 3.19Å; V322-I326 PolarHBondContact O-N 3.36Å; P323-I326 PolarHBondContact O-N 3.41Å; I326-Q328 PolarHBondContact O-N 3.18Å; I326-K329 PolarHBondContact O-N 2.76Å; I326-V330 HydrophobicContact CG2-CG2 4.15Å; I326-V330 WeakPolarHBondContact O-CG2 3.39Å; I326-V330 PolarHBondContact O-N 2.81Å; I326-V330 VanDerWaalsContact O-N 3.08Å
327	L	98.6	Very high	98.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-34.4	178.8	-69.1	176.2	0	0	0	112.2	L78 F183 L187 I268 P323 N324 K329 V330 L331	L78-L327 HydrophobicContact CD2-CD2 3.73Å; F183-L327 HydrophobicContact CD2-CD1 3.51Å; F183-L327 HydrophobicContact CE2-CD1 3.59Å; F183-L327 HydrophobicContact CG-CD1 4.47Å; L187-L327 HydrophobicContact CD1-CD1 4.27Å; L187-L327 HydrophobicContact CD2-CD1 3.93Å; L187-L327 HydrophobicContact CD2-CD2 3.83Å; L187-L327 HydrophobicContact CG-CD1 4.03Å; I268-L327 HydrophobicContact CD1-CD2 3.77Å; I268-L327 HydrophobicContact CD1-CG 4.48Å; P323-L327 WeakPolarHBondContact O-CG 3.27Å; P323-L327 PolarHBondContact O-N 2.71Å; N324-L327 PolarHBondContact O-N 2.95Å; L327-K329 PolarHBondContact O-N 2.84Å; L327-V330 PolarHBondContact O-N 2.69Å; L327-L331 HydrophobicContact CB-CD1 4.35Å; L327-L331 HydrophobicContact CD2-CD1 4.09Å; L327-L331 WeakPolarHBondContact O-CB 3.39Å; L327-L331 PolarHBondContact O-N 3.04Å
328	Q	97.6	Very high	98.1	Very high	103 Å²	103	29.1 Å²	29.1	48%	0.481	14%	0.141	S	C	.	.	H	α-helix	trans	-65.3	-22.7	175.2	178.7	61.7	79.7	0	0	114.1	R186 N324 A325 I326	R186-Q328 VanDerWaalsContact CZ-OE1 3.22Å; N324-Q328 WeakPolarHBondContact O-CB 3.32Å; N324-Q328 PolarHBondContact O-N 2.88Å; A325-Q328 PolarHBondContact O-N 2.98Å; I326-Q328 PolarHBondContact O-N 3.18Å
329	K	97.1	Very high	98.1	Very high	106 Å²	106	28.5 Å²	28.5	46%	0.461	14%	0.139	S	C	.	.	H	α-helix	trans	-90.1	-30	174	-63.1	-63.8	-175.8	179.4	0	112.4	M47 I71 A325 I326 L327	M47-K329 HydrophobicContact CE-CG 4.25Å; M47-K329 HydrophobicContact SD-CG 4.25Å; I71-K329 HydrophobicContact CD1-CB 3.89Å; I71-K329 HydrophobicContact CG1-CB 4.11Å; A325-K329 PolarHBondContact O-N 3.29Å; I326-K329 PolarHBondContact O-N 2.76Å; L327-K329 PolarHBondContact O-N 2.84Å
330	V	97.6	Very high	98.1	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.048	14%	0.143	C	C	.	.	H	α-helix	trans	-83.5	-36.8	-176.6	177.4	0	0	0	0	112.5	L70 I71 G74 L78 I326 L327	L70-V330 HydrophobicContact CB-CG1 4.46Å; L70-V330 HydrophobicContact CB-CG2 3.71Å; I71-V330 HydrophobicContact CG1-CG2 3.93Å; G74-V330 WeakPolarHBondContact CA-O 3.38Å; L78-V330 HydrophobicContact CD2-CG1 3.97Å; I326-V330 HydrophobicContact CG2-CG2 4.15Å; I326-V330 WeakPolarHBondContact O-CG2 3.39Å; I326-V330 PolarHBondContact O-N 2.81Å; I326-V330 VanDerWaalsContact O-N 3.08Å; L327-V330 PolarHBondContact O-N 2.69Å
331	L	96.4	Very high	98	Very high	54 Å²	54	32.4 Å²	32.4	28%	0.283	16%	0.156	S	C	.	.			trans	-103.8	0	-172.4	-57.5	178.4	0	0	0	112.7	A75 L78 R186 L187 H190 V192 L327	A75-L331 HydrophobicContact CB-CD2 3.6Å; L78-L331 HydrophobicContact CD2-CD2 4.02Å; L78-L331 HydrophobicContact CD2-CG 4.43Å; R186-L331 HydrophobicContact CG-CD1 3.79Å; L187-L331 HydrophobicContact CD2-CD1 4.28Å; H190-L331 HydrophobicContact CB-CD1 4.33Å; H190-L331 HydrophobicContact CB-CD2 4.09Å; V192-L331 HydrophobicContact CG2-CD1 4.22Å; V192-L331 HydrophobicContact CG2-CD2 3.78Å; L327-L331 HydrophobicContact CB-CD1 4.35Å; L327-L331 HydrophobicContact CD2-CD1 4.09Å; L327-L331 WeakPolarHBondContact O-CB 3.39Å; L327-L331 PolarHBondContact O-N 3.04Å

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