X6RM59_HUMAN Loading...

5'-nucleotidase

AlphaFold DB (A0A2J8KL67), UniProt , Accession X6RM59, Species HUMAN (Homo sapiens, Human), Gene NT5C3A, 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	44.3	Very low	44.6	Very low	242 Å²	242	120.3 Å²	120.3	100%	1.192	67%	0.673	S	S	*	*				0	117.6	0	-76.5	169.9	66.8	0	0	107.7
2	D	42.3	Very low	44.8	Very low	125 Å²	125	118.2 Å²	118.2	67%	0.668	67%	0.665	S	S	*	*			trans	-83.8	116.3	-155.7	-163.7	-10.1	0	0	0	112.4	A4	D2-A4 PolarHBondContact O-N 2.98Å; D2-A4 WeakPolarHBondContact OD1-CB 3.33Å; D2-A4 PolarHBondContact OD1-N 3.07Å
3	R	44.6	Very low	44.9	Very low	234 Å²	234	113.3 Å²	113.3	88%	0.883	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-10	179	-80.9	-176.2	172.5	177.4	-1.9	112.8
4	A	48.8	Very low	45.4	Very low	60 Å²	60	109.8 Å²	109.8	50%	0.496	64%	0.635	S	S	.	*	H	α-helix	trans	-79.1	-22.6	179.9	0	0	0	0	0	114.1	D2	D2-A4 PolarHBondContact O-N 2.98Å; D2-A4 WeakPolarHBondContact OD1-CB 3.33Å; D2-A4 PolarHBondContact OD1-N 3.07Å
5	A	46.8	Very low	45.8	Very low	61 Å²	61	106.5 Å²	106.5	50%	0.504	63%	0.625	S	S	.	*	H	α-helix	trans	-76.6	-32.2	-176.8	0	0	0	0	0	113.3
6	V	46.6	Very low	46.3	Very low	117 Å²	117	103.6 Å²	103.6	71%	0.709	61%	0.612	S	S	*	*	H	α-helix	trans	-74.9	-30.8	-176.7	-177.1	0	0	0	0	111.9
7	A	43.4	Very low	46.8	Very low	72 Å²	72	102.6 Å²	102.6	60%	0.595	61%	0.608	S	S	*	*	H	α-helix	trans	-72.7	-30.8	179.8	0	0	0	0	0	113.6	A11	A7-A11 PolarHBondContact O-N 2.85Å
8	R	43.6	Very low	47.2	Very low	201 Å²	201	101.7 Å²	101.7	76%	0.758	61%	0.606	S	S	*	*	H	α-helix	trans	-76.9	-32	179.7	-74.9	-172.9	179.4	179.6	0.9	113.2	V12	R8-V12 VanDerWaalsContact O-CG2 3.23Å; R8-V12 WeakPolarHBondContact O-CG2 3.31Å; R8-V12 PolarHBondContact O-N 3.16Å
9	V	44	Very low	47.7	Very low	108 Å²	108	99.8 Å²	99.8	66%	0.655	60%	0.603	S	S	*	*	H	α-helix	trans	-74.7	-36.1	-179.6	-176.9	0	0	0	0	111.5	A13	V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 2.99Å; V9-A13 VanDerWaalsContact O-N 3.16Å
10	G	40.6	Very low	48.4	Very low	46 Å²	46	101 Å²	101	47%	0.474	61%	0.605	S	S	.	*	H	α-helix	trans	-70.8	-33.9	176.1	0	0	0	0	0	114.4	S14	G10-S14 WeakPolarHBondContact O-CB 3.33Å; G10-S14 PolarHBondContact O-N 3.21Å; G10-S14 VanDerWaalsContact O-N 3.16Å; G10-S14 PolarHBondContact O-OG 2.79Å
11	A	45.3	Very low	49.1	Very low	57 Å²	57	100.3 Å²	100.3	47%	0.471	60%	0.601	S	S	.	*	H	α-helix	trans	-73.4	-37.2	177.3	0	0	0	0	0	112.7	A7 S14 A15	A7-A11 PolarHBondContact O-N 2.85Å; A11-S14 WeakPolarHBondContact CA-OG 3.44Å; A11-S14 PolarHBondContact O-OG 2.66Å; A11-S14 VanDerWaalsContact O-OG 3.06Å; A11-A15 WeakPolarHBondContact O-CB 3.43Å; A11-A15 PolarHBondContact O-N 2.71Å; A11-A15 VanDerWaalsContact O-N 3.12Å
12	V	46.7	Very low	49.8	Very low	95 Å²	95	91.7 Å²	91.7	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-74.3	-37.5	178.8	178.6	0	0	0	0	111.2	R8 S16	R8-V12 VanDerWaalsContact O-CG2 3.23Å; R8-V12 WeakPolarHBondContact O-CG2 3.31Å; R8-V12 PolarHBondContact O-N 3.16Å; V12-S16 WeakPolarHBondContact O-CB 3.07Å; V12-S16 PolarHBondContact O-N 3.47Å; V12-S16 VanDerWaalsContact O-N 3.1Å; V12-S16 PolarHBondContact O-OG 2.86Å
13	A	47.1	Very low	50.9	Low	55 Å²	55	87.5 Å²	87.5	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-66.8	-41	175.3	0	0	0	0	0	112.4	V9 V17	V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 2.99Å; V9-A13 VanDerWaalsContact O-N 3.16Å; A13-V17 WeakPolarHBondContact O-CB 3.49Å; A13-V17 WeakPolarHBondContact O-CG2 3.47Å; A13-V17 PolarHBondContact O-N 3.46Å
14	S	50.9	Low	52.1	Low	64 Å²	64	80.2 Å²	80.2	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-70.1	-39.4	179	51.5	0	0	0	0	113.1	G10 A11 C18	G10-S14 WeakPolarHBondContact O-CB 3.33Å; G10-S14 PolarHBondContact O-N 3.21Å; G10-S14 VanDerWaalsContact O-N 3.16Å; G10-S14 PolarHBondContact O-OG 2.79Å; A11-S14 WeakPolarHBondContact CA-OG 3.44Å; A11-S14 PolarHBondContact O-OG 2.66Å; A11-S14 VanDerWaalsContact O-OG 3.06Å; S14-C18 WeakPolarHBondContact O-CB 3.46Å; S14-C18 PolarHBondContact O-N 3.04Å; S14-C18 PolarHBondContact O-SG 2.72Å
15	A	51.3	Low	53.1	Low	60 Å²	60	81.4 Å²	81.4	50%	0.496	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-39.9	175.1	0	0	0	0	0	112.3	A11 C18 A19	A11-A15 WeakPolarHBondContact O-CB 3.43Å; A11-A15 PolarHBondContact O-N 2.71Å; A11-A15 VanDerWaalsContact O-N 3.12Å; A15-C18 PolarHBondContact O-N 2.84Å; A15-A19 WeakPolarHBondContact O-CB 3.26Å; A15-A19 PolarHBondContact O-N 2.74Å
16	S	54.4	Low	54.1	Low	60 Å²	60	83.2 Å²	83.2	42%	0.42	54%	0.538	S	S	.	.	H	α-helix	trans	-66.8	-41.1	178.2	-54.4	0	0	0	0	112.1	V12 A19 L20	V12-S16 WeakPolarHBondContact O-CB 3.07Å; V12-S16 PolarHBondContact O-N 3.47Å; V12-S16 VanDerWaalsContact O-N 3.1Å; V12-S16 PolarHBondContact O-OG 2.86Å; S16-A19 PolarHBondContact O-N 3.15Å; S16-L20 WeakPolarHBondContact O-CB 3.45Å; S16-L20 PolarHBondContact O-N 2.87Å
17	V	54.8	Low	55.1	Low	88 Å²	88	80.4 Å²	80.4	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-68.8	-41.1	176	173.3	0	0	0	0	111	A13 A19 L20 V21	A13-V17 WeakPolarHBondContact O-CB 3.49Å; A13-V17 WeakPolarHBondContact O-CG2 3.47Å; A13-V17 PolarHBondContact O-N 3.46Å; V17-A19 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 3.24Å; V17-V21 HydrophobicContact CG1-CG2 4.35Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.43Å; V17-V21 PolarHBondContact O-N 3.23Å
18	C	53.7	Low	56.1	Low	86 Å²	86	82.7 Å²	82.7	58%	0.581	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-39.8	175.4	-72	0	0	0	0	112.3	S14 A15 V21 A22	S14-C18 WeakPolarHBondContact O-CB 3.46Å; S14-C18 PolarHBondContact O-N 3.04Å; S14-C18 PolarHBondContact O-SG 2.72Å; A15-C18 PolarHBondContact O-N 2.84Å; C18-V21 PolarHBondContact O-N 3.36Å; C18-A22 WeakPolarHBondContact O-CB 3.43Å; C18-A22 PolarHBondContact O-N 3.36Å
19	A	56.9	Low	57.2	Low	66 Å²	66	79.9 Å²	79.9	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-39.9	176.2	0	0	0	0	0	112.3	A15 S16 V17 G23	A15-A19 WeakPolarHBondContact O-CB 3.26Å; A15-A19 PolarHBondContact O-N 2.74Å; S16-A19 PolarHBondContact O-N 3.15Å; V17-A19 PolarHBondContact O-N 3.09Å; A19-G23 PolarHBondContact O-N 2.85Å
20	L	61.4	Low	58.3	Low	123 Å²	123	78.5 Å²	78.5	64%	0.644	50%	0.504	S	S	*	.	H	α-helix	trans	-64.8	-45.9	174.6	-88.9	159.9	0	0	0	112	S16 V17 G23 V24	S16-L20 WeakPolarHBondContact O-CB 3.45Å; S16-L20 PolarHBondContact O-N 2.87Å; V17-L20 PolarHBondContact O-N 3.24Å; L20-G23 PolarHBondContact O-N 3.09Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 2.92Å
21	V	63.1	Low	59.3	Low	87 Å²	87	82.8 Å²	82.8	53%	0.527	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-43.8	178.7	174.9	0	0	0	0	110.9	V17 C18 G23 V24 V25	V17-V21 HydrophobicContact CG1-CG2 4.35Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.43Å; V17-V21 PolarHBondContact O-N 3.23Å; C18-V21 PolarHBondContact O-N 3.36Å; V21-G23 VanDerWaalsContact C-N 3.34Å; V21-G23 PolarHBondContact O-N 3.41Å; V21-V24 PolarHBondContact O-N 3.47Å; V21-V25 HydrophobicContact CG1-CG2 4.42Å; V21-V25 WeakPolarHBondContact O-CB 3.25Å; V21-V25 VanDerWaalsContact O-CG2 3.27Å; V21-V25 WeakPolarHBondContact O-CG2 3.44Å; V21-V25 PolarHBondContact O-N 2.79Å
22	A	59.1	Low	60	Low	60 Å²	60	83.4 Å²	83.4	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-39.6	175.5	0	0	0	0	0	112	C18 V25 L26	C18-A22 WeakPolarHBondContact O-CB 3.43Å; C18-A22 PolarHBondContact O-N 3.36Å; A22-V25 PolarHBondContact O-N 2.87Å; A22-L26 WeakPolarHBondContact O-CB 3.35Å; A22-L26 PolarHBondContact O-N 3.33Å
23	G	65.7	Low	60.2	Low	38 Å²	38	82.3 Å²	82.3	39%	0.392	50%	0.498	S	S	.	.	H	α-helix	trans	-64	-41.5	175.3	0	0	0	0	0	113.1	A19 L20 V21 A27	A19-G23 PolarHBondContact O-N 2.85Å; L20-G23 PolarHBondContact O-N 3.09Å; V21-G23 VanDerWaalsContact C-N 3.34Å; V21-G23 PolarHBondContact O-N 3.41Å; G23-A27 WeakPolarHBondContact O-CB 3.32Å; G23-A27 PolarHBondContact O-N 3.13Å
24	V	70.8	Confident	60.5	Low	81 Å²	81	87.1 Å²	87.1	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-42.5	176.6	172.3	0	0	0	0	111.3	L20 V21 A27 Q28	L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 2.92Å; V21-V24 PolarHBondContact O-N 3.47Å; V24-A27 PolarHBondContact O-N 3.31Å; V24-Q28 WeakPolarHBondContact O-CB 3.49Å; V24-Q28 WeakPolarHBondContact O-CG 3.4Å; V24-Q28 PolarHBondContact O-N 3.01Å
25	V	69.4	Low	60.6	Low	85 Å²	85	93 Å²	93	52%	0.515	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-42.5	176.5	170.9	0	0	0	0	110.8	V21 A22 Q28 Y29	V21-V25 HydrophobicContact CG1-CG2 4.42Å; V21-V25 WeakPolarHBondContact O-CB 3.25Å; V21-V25 VanDerWaalsContact O-CG2 3.27Å; V21-V25 WeakPolarHBondContact O-CG2 3.44Å; V21-V25 PolarHBondContact O-N 2.79Å; A22-V25 PolarHBondContact O-N 2.87Å; V25-Q28 PolarHBondContact O-N 3.25Å; V25-Y29 WeakPolarHBondContact O-CB 3.36Å; V25-Y29 PolarHBondContact O-N 2.93Å
26	L	66.6	Low	60.4	Low	99 Å²	99	97.6 Å²	97.6	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-40.2	176.1	-173.6	65.4	0	0	0	111.3	A22 Y29 I30	A22-L26 WeakPolarHBondContact O-CB 3.35Å; A22-L26 PolarHBondContact O-N 3.33Å; L26-Y29 PolarHBondContact O-N 3.49Å; L26-I30 HydrophobicContact CD1-CD1 4.15Å; L26-I30 HydrophobicContact CD1-CG1 4.38Å; L26-I30 HydrophobicContact CD2-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 3.82Å; L26-I30 HydrophobicContact CG-CG1 4.42Å; L26-I30 WeakPolarHBondContact O-CB 3.47Å; L26-I30 WeakPolarHBondContact O-CG1 3.2Å; L26-I30 PolarHBondContact O-N 2.92Å
27	A	67.3	Low	60	Low	58 Å²	58	100.2 Å²	100.2	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-42.6	175.5	0	0	0	0	0	111.9	G23 V24 Y29 F31	G23-A27 WeakPolarHBondContact O-CB 3.32Å; G23-A27 PolarHBondContact O-N 3.13Å; V24-A27 PolarHBondContact O-N 3.31Å; A27-Y29 VanDerWaalsContact C-N 3.35Å; A27-F31 WeakPolarHBondContact O-CB 3.24Å; A27-F31 PolarHBondContact O-N 3.27Å
28	Q	65.5	Low	59.4	Low	119 Å²	119	99.1 Å²	99.1	56%	0.556	55%	0.55	S	S	*	.	H	α-helix	trans	-63.9	-40.5	173.1	-80	178.8	-19.7	0	0	111.4	V24 V25 F31 T32	V24-Q28 WeakPolarHBondContact O-CB 3.49Å; V24-Q28 WeakPolarHBondContact O-CG 3.4Å; V24-Q28 PolarHBondContact O-N 3.01Å; V25-Q28 PolarHBondContact O-N 3.25Å; Q28-F31 PolarHBondContact O-N 3.08Å; Q28-T32 VanDerWaalsContact O-CB 3.26Å; Q28-T32 WeakPolarHBondContact O-CB 3.34Å; Q28-T32 PolarHBondContact O-N 3.4Å; Q28-T32 PolarHBondContact O-OG1 2.98Å
29	Y	66.2	Low	59.2	Low	143 Å²	143	103.9 Å²	103.9	56%	0.561	56%	0.556	S	S	*	*	H	α-helix	trans	-66.3	-45.6	177.4	-177.8	-108.1	0	0	0	111.8	V25 L26 A27 T32 L33	V25-Y29 WeakPolarHBondContact O-CB 3.36Å; V25-Y29 PolarHBondContact O-N 2.93Å; L26-Y29 PolarHBondContact O-N 3.49Å; A27-Y29 VanDerWaalsContact C-N 3.35Å; Y29-T32 PolarHBondContact O-N 3.29Å; Y29-L33 HydrophobicContact CD1-CD1 3.63Å; Y29-L33 HydrophobicContact CE1-CD1 3.18Å; Y29-L33 HydrophobicContact CE1-CG 4.19Å; Y29-L33 HydrophobicContact CE2-CD1 4.28Å; Y29-L33 HydrophobicContact CE2-CG 4.49Å; Y29-L33 HydrophobicContact CG-CD1 4.35Å; Y29-L33 WeakPolarHBondContact O-CB 3.41Å; Y29-L33 PolarHBondContact O-N 3.21Å
30	I	67.6	Low	59	Low	78 Å²	78	110 Å²	110	40%	0.4	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-39.7	174.9	-68.5	169.4	0	0	0	110.8	L26 L33 K34	L26-I30 HydrophobicContact CD1-CD1 4.15Å; L26-I30 HydrophobicContact CD1-CG1 4.38Å; L26-I30 HydrophobicContact CD2-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 3.82Å; L26-I30 HydrophobicContact CG-CG1 4.42Å; L26-I30 WeakPolarHBondContact O-CB 3.47Å; L26-I30 WeakPolarHBondContact O-CG1 3.2Å; L26-I30 PolarHBondContact O-N 2.92Å; I30-L33 PolarHBondContact O-N 3.48Å; I30-K34 WeakPolarHBondContact O-CB 3.37Å; I30-K34 WeakPolarHBondContact O-CG 3.41Å; I30-K34 PolarHBondContact O-N 2.65Å
31	F	61.6	Low	58.9	Low	136 Å²	136	108.5 Å²	108.5	60%	0.596	57%	0.566	S	S	*	*	H	α-helix	trans	-64.6	-41.4	175.2	-174.9	-99.3	0	0	0	111.2	A27 Q28 K34 R35	A27-F31 WeakPolarHBondContact O-CB 3.24Å; A27-F31 PolarHBondContact O-N 3.27Å; Q28-F31 PolarHBondContact O-N 3.08Å; F31-K34 PolarHBondContact O-N 3.03Å; F31-R35 VanDerWaalsContact O-CB 3.28Å; F31-R35 WeakPolarHBondContact O-CB 3.43Å; F31-R35 PolarHBondContact O-N 2.76Å
32	T	59.6	Low	59.2	Low	70 Å²	70	106.6 Å²	106.6	43%	0.429	55%	0.551	S	S	.	*	H	α-helix	trans	-68.7	-40.1	176.4	-53.1	0	0	0	0	111.6	Q28 Y29 R35 K36	Q28-T32 VanDerWaalsContact O-CB 3.26Å; Q28-T32 WeakPolarHBondContact O-CB 3.34Å; Q28-T32 PolarHBondContact O-N 3.4Å; Q28-T32 PolarHBondContact O-OG1 2.98Å; Y29-T32 PolarHBondContact O-N 3.29Å; T32-R35 PolarHBondContact O-N 2.79Å; T32-K36 WeakPolarHBondContact O-CB 3.38Å; T32-K36 WeakPolarHBondContact O-CG 2.85Å; T32-K36 PolarHBondContact O-N 3.28Å
33	L	51.8	Low	60	Low	72 Å²	72	106.3 Å²	106.3	38%	0.377	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-48.4	172.7	-87.5	168.4	0	0	0	111	Y29 I30 R35 K36 T37	Y29-L33 HydrophobicContact CD1-CD1 3.63Å; Y29-L33 HydrophobicContact CE1-CD1 3.18Å; Y29-L33 HydrophobicContact CE1-CG 4.19Å; Y29-L33 HydrophobicContact CE2-CD1 4.28Å; Y29-L33 HydrophobicContact CE2-CG 4.49Å; Y29-L33 HydrophobicContact CG-CD1 4.35Å; Y29-L33 WeakPolarHBondContact O-CB 3.41Å; Y29-L33 PolarHBondContact O-N 3.21Å; I30-L33 PolarHBondContact O-N 3.48Å; L33-R35 VanDerWaalsContact C-N 3.28Å; L33-R35 PolarHBondContact O-N 2.91Å; L33-K36 CarbonylContact O-C 3.27Å; L33-K36 WeakPolarHBondContact O-CA 3.21Å; L33-K36 PolarHBondContact O-N 3.13Å; L33-T37 PolarHBondContact O-N 2.99Å; L33-T37 PolarHBondContact O-OG1 2.87Å
34	K	52.8	Low	60.7	Low	157 Å²	157	105.1 Å²	105.1	68%	0.683	53%	0.525	S	S	*	.	H	α-helix	trans	-59	-38.6	175.3	-84.4	-172.1	173.4	-176.5	0	112.3	I30 F31 K36 T37 G38	I30-K34 WeakPolarHBondContact O-CB 3.37Å; I30-K34 WeakPolarHBondContact O-CG 3.41Å; I30-K34 PolarHBondContact O-N 2.65Å; F31-K34 PolarHBondContact O-N 3.03Å; K34-K36 VanDerWaalsContact C-N 3.35Å; K34-T37 VanDerWaalsContact CA-OG1 3.31Å; K34-T37 WeakPolarHBondContact CA-OG1 3.38Å; K34-T37 PolarHBondContact O-OG1 2.82Å; K34-G38 PolarHBondContact O-N 3.36Å; K34-G38 VanDerWaalsContact O-N 3.1Å
35	R	52.2	Low	61.1	Low	187 Å²	187	105.5 Å²	105.5	71%	0.706	52%	0.521	S	S	*	.	H	α-helix	trans	-69.6	-29.6	175.6	-152.8	176.3	-178.6	-173.9	-0.1	112.6	F31 T32 L33	F31-R35 VanDerWaalsContact O-CB 3.28Å; F31-R35 WeakPolarHBondContact O-CB 3.43Å; F31-R35 PolarHBondContact O-N 2.76Å; T32-R35 PolarHBondContact O-N 2.79Å; L33-R35 VanDerWaalsContact C-N 3.28Å; L33-R35 PolarHBondContact O-N 2.91Å
36	K	48.2	Very low	61.8	Low	156 Å²	156	107.9 Å²	107.9	68%	0.678	53%	0.529	S	S	*	.	H	α-helix	trans	-79.7	-40.3	172.5	-79.8	-173.5	174.7	-174.6	0	113	T32 L33 K34 G38 R39	T32-K36 WeakPolarHBondContact O-CB 3.38Å; T32-K36 WeakPolarHBondContact O-CG 2.85Å; T32-K36 PolarHBondContact O-N 3.28Å; L33-K36 CarbonylContact O-C 3.27Å; L33-K36 WeakPolarHBondContact O-CA 3.21Å; L33-K36 PolarHBondContact O-N 3.13Å; K34-K36 VanDerWaalsContact C-N 3.35Å; K36-G38 VanDerWaalsContact C-N 3.28Å; K36-G38 PolarHBondContact O-N 2.92Å; K36-R39 PolarHBondContact O-N 3.19Å
37	T	45.5	Very low	62.9	Low	116 Å²	116	103.4 Å²	103.4	71%	0.712	51%	0.505	S	S	*	.	H	α-helix	trans	-74.1	-16.2	178.7	44.9	0	0	0	0	113.6	L33 K34	L33-T37 PolarHBondContact O-N 2.99Å; L33-T37 PolarHBondContact O-OG1 2.87Å; K34-T37 VanDerWaalsContact CA-OG1 3.31Å; K34-T37 WeakPolarHBondContact CA-OG1 3.38Å; K34-T37 PolarHBondContact O-OG1 2.82Å
38	G	43.5	Very low	64.2	Low	64 Å²	64	105.2 Å²	105.2	66%	0.66	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-9	175.7	0	0	0	0	0	115.2	K34 K36 K40	K34-G38 PolarHBondContact O-N 3.36Å; K34-G38 VanDerWaalsContact O-N 3.1Å; K36-G38 VanDerWaalsContact C-N 3.28Å; K36-G38 PolarHBondContact O-N 2.92Å; G38-K40 PolarHBondContact O-N 3.3Å
39	R	47.5	Very low	65.7	Low	186 Å²	186	102.2 Å²	102.2	70%	0.702	50%	0.498	S	S	*	.			trans	-92.4	90.9	178.1	-144.6	176.6	-173.1	171.7	-0.6	107.4	K36 T41	K36-R39 PolarHBondContact O-N 3.19Å; R39-T41 PolarHBondContact O-N 3.19Å
40	K	54.3	Low	67.1	Low	194 Å²	194	96 Å²	96	84%	0.843	47%	0.474	S	S	*	.			trans	-54.5	113.3	163.3	-75.8	-176.5	177.1	180	0	106	G38 K42	G38-K40 PolarHBondContact O-N 3.3Å; K40-K42 PolarHBondContact O-N 3.12Å
41	T	58.9	Low	68.4	Low	93 Å²	93	98.1 Å²	98.1	57%	0.571	48%	0.482	S	S	*	.			trans	-57.3	124.3	175.5	-43.6	0	0	0	0	107.4	R39 M46	R39-T41 PolarHBondContact O-N 3.19Å; T41-M46 HydrophobicContact CG2-CG 3.52Å; T41-M46 HydrophobicContact CG2-SD 3.7Å
42	K	68.4	Low	70	Confident	46 Å²	46	95 Å²	95	20%	0.2	47%	0.468	C	S	.	.			trans	-71.5	137.6	-173.1	-69.1	178.9	141.7	-122.9	0	109	K40 I44 E45 M46 T61 E64	K40-K42 PolarHBondContact O-N 3.12Å; K42-I44 HydrophobicContact CB-CG1 4.1Å; K42-I44 PolarHBondContact O-N 3.4Å; K42-E45 HydrophobicContact CB-CB 4.13Å; K42-E45 HydrophobicContact CB-CG 3.8Å; K42-E45 HydrophobicContact CD-CG 4.44Å; K42-E45 WeakPolarHBondContact CD-OE1 3.39Å; K42-E45 WeakPolarHBondContact O-CB 3.42Å; K42-E45 PolarHBondContact O-N 3.26Å; K42-M46 PolarHBondContact O-N 3.49Å; K42-T61 PolarHBondContact NZ-OG1 2.9Å; K42-E64 HydrophobicContact CB-CG 4.5Å; K42-E64 VanDerWaalsContact CB-OE1 3.24Å; K42-E64 WeakPolarHBondContact CB-OE1 3.48Å; K42-E64 VanDerWaalsContact CB-OE2 3.28Å; K42-E64 WeakPolarHBondContact CB-OE2 3.49Å; K42-E64 WeakPolarHBondContact CD-OE1 3.21Å; K42-E64 VanDerWaalsContact CE-OE1 3.23Å; K42-E64 WeakPolarHBondContact CE-OE1 3.36Å; K42-E64 VanDerWaalsContact CG-OE1 3.27Å; K42-E64 WeakPolarHBondContact CG-OE1 3.44Å; K42-E64 WeakPolarHBondContact CG-OE2 3.33Å; K42-E64 IonicContact NZ-OE1 2.74Å; K42-E64 PolarHBondContact NZ-OE1 3.13Å; K42-E64 IonicContact NZ-OE2 3.94Å
43	I	75.7	Confident	71.8	Confident	54 Å²	54	97.5 Å²	97.5	28%	0.277	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-53.4	-43.4	-178.3	-67.6	177.7	0	0	0	110.3	E45 M46 M47 C68 I71	I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 3.29Å; I43-M46 PolarHBondContact O-N 3.26Å; I43-M46 VanDerWaalsContact O-N 3.11Å; I43-M47 HydrophobicContact CG2-CG 4.39Å; I43-M47 HydrophobicContact CG2-SD 3.64Å; I43-M47 WeakPolarHBondContact O-CG 3.3Å; I43-M47 PolarHBondContact O-N 2.96Å; I43-C68 VanDerWaalsContact CD1-SG 3.59Å; I43-I71 HydrophobicContact CD1-CD1 4.44Å
44	I	80.7	Confident	74	Confident	13 Å²	13	94.9 Å²	94.9	7%	0.067	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-65.3	-29.1	178.6	62.9	172.5	0	0	0	113.7	K42 M46 M47 F50 Q51 P60 V63 E64 I67	K42-I44 HydrophobicContact CB-CG1 4.1Å; K42-I44 PolarHBondContact O-N 3.4Å; I44-M46 PolarHBondContact O-N 3.45Å; I44-M47 PolarHBondContact O-N 3.02Å; I44-F50 HydrophobicContact CB-CB 4.44Å; I44-F50 HydrophobicContact CB-CD1 3.85Å; I44-F50 HydrophobicContact CB-CE1 4.36Å; I44-F50 HydrophobicContact CB-CG 4.22Å; I44-F50 HydrophobicContact CG2-CD1 3.7Å; I44-F50 HydrophobicContact CG2-CE1 3.68Å; I44-F50 HydrophobicContact CG2-CG 4.37Å; I44-F50 HydrophobicContact CG2-CZ 4.34Å; I44-F50 WeakPolarHBondContact O-CB 3.35Å; I44-Q51 PolarHBondContact O-NE2 2.89Å; I44-P60 HydrophobicContact CD1-CB 3.29Å; I44-V63 HydrophobicContact CG2-CG1 4.31Å; I44-E64 HydrophobicContact CB-CG 4.36Å; I44-E64 HydrophobicContact CD1-CG 3.93Å; I44-E64 VanDerWaalsContact CD1-OE1 3.23Å; I44-E64 WeakPolarHBondContact CD1-OE1 3.43Å; I44-E64 HydrophobicContact CG1-CG 3.77Å; I44-E64 WeakPolarHBondContact CG1-OE1 3.16Å; I44-E64 HydrophobicContact CG2-CG 3.81Å; I44-I67 HydrophobicContact CG2-CD1 4.33Å
45	E	80.6	Confident	76.2	Confident	89 Å²	89	88.3 Å²	88.3	42%	0.416	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-73.7	-20.9	176.4	-72.2	173.9	173.9	0	0	111.3	K42 I43	K42-E45 HydrophobicContact CB-CB 4.13Å; K42-E45 HydrophobicContact CB-CG 3.8Å; K42-E45 HydrophobicContact CD-CG 4.44Å; K42-E45 WeakPolarHBondContact CD-OE1 3.39Å; K42-E45 WeakPolarHBondContact O-CB 3.42Å; K42-E45 PolarHBondContact O-N 3.26Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 3.29Å
46	M	82.6	Confident	78.4	Confident	136 Å²	136	84.3 Å²	84.3	67%	0.67	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-96.8	-5.5	179	-60.7	-174.5	64.2	0	0	113.4	T41 K42 I43 I44 P48	T41-M46 HydrophobicContact CG2-CG 3.52Å; T41-M46 HydrophobicContact CG2-SD 3.7Å; K42-M46 PolarHBondContact O-N 3.49Å; I43-M46 PolarHBondContact O-N 3.26Å; I43-M46 VanDerWaalsContact O-N 3.11Å; I44-M46 PolarHBondContact O-N 3.45Å; M46-P48 WeakPolarHBondContact O-CD 3.33Å
47	M	90.3	Very high	80.8	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.025	41%	0.411	C	S	.	.			trans	-99.1	109.6	179.4	-70.7	176.9	74.3	0	0	109.6	I43 I44 E49 F50 S325 K329	I43-M47 HydrophobicContact CG2-CG 4.39Å; I43-M47 HydrophobicContact CG2-SD 3.64Å; I43-M47 WeakPolarHBondContact O-CG 3.3Å; I43-M47 PolarHBondContact O-N 2.96Å; I44-M47 PolarHBondContact O-N 3.02Å; M47-E49 PolarHBondContact O-N 3.4Å; M47-F50 HydrophobicContact CB-CB 4.41Å; M47-F50 HydrophobicContact CB-CD2 3.66Å; M47-F50 HydrophobicContact CB-CE2 4.36Å; M47-F50 HydrophobicContact CB-CG 4.34Å; M47-F50 HydrophobicContact CE-CD2 4.04Å; M47-F50 HydrophobicContact CE-CE2 3.58Å; M47-F50 HydrophobicContact CG-CD2 4.5Å; M47-F50 WeakPolarHBondContact O-CB 3.45Å; M47-F50 PolarHBondContact O-N 3.46Å; M47-F50 HydrophobicContact SD-CD2 4.15Å; M47-F50 HydrophobicContact SD-CE2 3.91Å; M47-S325 WeakPolarHBondContact CE-OG 3.41Å; M47-K329 HydrophobicContact CE-CG 4.31Å
48	P	94	Very high	83.3	Confident	96 Å²	96	79 Å²	79	62%	0.623	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-56	-32.4	-178.2	-25.7	35	0	0	0	113.6	M46 F50 Q51	M46-P48 WeakPolarHBondContact O-CD 3.33Å; P48-F50 PolarHBondContact O-N 3.08Å; P48-Q51 WeakPolarHBondContact O-CB 3.17Å; P48-Q51 PolarHBondContact O-N 3.1Å
49	E	96.9	Very high	85.8	Confident	55 Å²	55	79.8 Å²	79.8	26%	0.257	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-61.5	-32.1	179.7	-54.5	85.2	171.5	0	0	111.6	M47 Q51 V55 V322 S325	M47-E49 PolarHBondContact O-N 3.4Å; E49-Q51 VanDerWaalsContact C-N 3.29Å; E49-Q51 PolarHBondContact O-N 2.91Å; E49-V55 WeakPolarHBondContact O-CG2 3.5Å; E49-V322 HydrophobicContact CB-CG2 4.31Å; E49-S325 VanDerWaalsContact CD-CB 3.48Å
50	F	95.7	Very high	88.1	Confident	13 Å²	13	73.2 Å²	73.2	6%	0.057	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-80	-9.7	177.4	-77.5	-108.9	0	0	0	113.4	I44 M47 P48 I57 V63 I67 I312 V322 I326	I44-F50 HydrophobicContact CB-CB 4.44Å; I44-F50 HydrophobicContact CB-CD1 3.85Å; I44-F50 HydrophobicContact CB-CE1 4.36Å; I44-F50 HydrophobicContact CB-CG 4.22Å; I44-F50 HydrophobicContact CG2-CD1 3.7Å; I44-F50 HydrophobicContact CG2-CE1 3.68Å; I44-F50 HydrophobicContact CG2-CG 4.37Å; I44-F50 HydrophobicContact CG2-CZ 4.34Å; I44-F50 WeakPolarHBondContact O-CB 3.35Å; M47-F50 HydrophobicContact CB-CB 4.41Å; M47-F50 HydrophobicContact CB-CD2 3.66Å; M47-F50 HydrophobicContact CB-CE2 4.36Å; M47-F50 HydrophobicContact CB-CG 4.34Å; M47-F50 HydrophobicContact CE-CD2 4.04Å; M47-F50 HydrophobicContact CE-CE2 3.58Å; M47-F50 HydrophobicContact CG-CD2 4.5Å; M47-F50 WeakPolarHBondContact O-CB 3.45Å; M47-F50 PolarHBondContact O-N 3.46Å; M47-F50 HydrophobicContact SD-CD2 4.15Å; M47-F50 HydrophobicContact SD-CE2 3.91Å; P48-F50 PolarHBondContact O-N 3.08Å; F50-I57 HydrophobicContact CD1-CD1 3.7Å; F50-I57 HydrophobicContact CE1-CD1 4.01Å; F50-V63 HydrophobicContact CE1-CG1 4.3Å; F50-I67 HydrophobicContact CE1-CD1 4.19Å; F50-I67 HydrophobicContact CZ-CD1 3.83Å; F50-I312 HydrophobicContact CE1-CD1 3.69Å; F50-I312 HydrophobicContact CZ-CD1 4Å; F50-V322 HydrophobicContact CE2-CG1 4.01Å; F50-V322 HydrophobicContact CZ-CG1 3.98Å; F50-I326 HydrophobicContact CE2-CD1 4.48Å; F50-I326 HydrophobicContact CE2-CG1 4.12Å; F50-I326 HydrophobicContact CZ-CD1 3.93Å; F50-I326 HydrophobicContact CZ-CG1 3.89Å
51	Q	94.9	Very high	90.1	Very high	123 Å²	123	67.1 Å²	67.1	58%	0.575	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-93.5	-3	178.8	-52.7	-53	-55.9	0	0	112.7	I44 P48 E49	I44-Q51 PolarHBondContact O-NE2 2.89Å; P48-Q51 WeakPolarHBondContact O-CB 3.17Å; P48-Q51 PolarHBondContact O-N 3.1Å; E49-Q51 VanDerWaalsContact C-N 3.29Å; E49-Q51 PolarHBondContact O-N 2.91Å
52	K	96.4	Very high	91.8	Very high	69 Å²	69	69.3 Å²	69.3	30%	0.3	35%	0.35	S	S	.	.	S	Bend	trans	-63.6	145.7	175.3	-68.3	-174.2	177.5	-169.3	0	110.8	S54 V55 E321	K52-S54 PolarHBondContact O-N 3.17Å; K52-V55 HydrophobicContact CB-CG2 4.17Å; K52-V55 PolarHBondContact O-N 3.08Å; K52-E321 WeakPolarHBondContact CE-OE2 3.36Å; K52-E321 IonicContact NZ-OE1 2.71Å; K52-E321 PolarHBondContact NZ-OE1 2.88Å; K52-E321 IonicContact NZ-OE2 2.72Å; K52-E321 PolarHBondContact NZ-OE2 3.49Å
53	S	97.1	Very high	93.2	Very high	124 Å²	124	67.2 Å²	67.2	87%	0.867	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	178.2	55.1	0	0	0	0	113.9	V55	S53-V55 VanDerWaalsContact C-N 3.25Å; S53-V55 PolarHBondContact O-N 3.38Å
54	S	97.8	Very high	94.2	Very high	17 Å²	17	65.9 Å²	65.9	12%	0.119	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.1	174.1	53.2	0	0	0	0	112.6	K52 L314 V315 D317	K52-S54 PolarHBondContact O-N 3.17Å; S54-L314 WeakPolarHBondContact O-CA 3.19Å; S54-V315 VanDerWaalsContact CB-O 3.25Å; S54-V315 WeakPolarHBondContact CB-O 3.34Å; S54-V315 PolarHBondContact O-N 2.8Å; S54-D317 WeakPolarHBondContact CB-OD2 3.12Å; S54-D317 PolarHBondContact OG-OD2 2.8Å
55	V	98.5	Very high	94.9	Very high	18 Å²	18	71.4 Å²	71.4	11%	0.109	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.9	-173.3	-178.1	0	0	0	0	110.9	E49 K52 S53 I57 I312 L314 V322	E49-V55 WeakPolarHBondContact O-CG2 3.5Å; K52-V55 HydrophobicContact CB-CG2 4.17Å; K52-V55 PolarHBondContact O-N 3.08Å; S53-V55 VanDerWaalsContact C-N 3.25Å; S53-V55 PolarHBondContact O-N 3.38Å; V55-I57 HydrophobicContact CG1-CD1 3.85Å; V55-I57 HydrophobicContact CG1-CG1 3.98Å; V55-I312 HydrophobicContact CG1-CG2 4.18Å; V55-L314 HydrophobicContact CG2-CD2 3.84Å; V55-V322 HydrophobicContact CG2-CG2 3.91Å
56	R	98.4	Very high	95.8	Very high	104 Å²	104	68 Å²	68	39%	0.392	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.9	177.3	-55	-61.7	-65.2	-84	-5.5	109.4	L303 M307 V313 V315	R56-L303 HydrophobicContact CB-CD1 4.28Å; R56-L303 HydrophobicContact CG-CD1 4.15Å; R56-L303 VanDerWaalsContact NH1-CD2 3.3Å; R56-M307 HydrophobicContact CB-CE 4.33Å; R56-M307 HydrophobicContact CB-CG 4.29Å; R56-M307 HydrophobicContact CB-SD 3.98Å; R56-V313 HydrophobicContact CB-CB 4.22Å; R56-V313 PolarHBondContact N-O 3.3Å; R56-V313 PolarHBondContact O-N 2.91Å; R56-V315 HydrophobicContact CG-CG2 3.7Å
57	I	98.2	Very high	96.5	Very high	37 Å²	37	61.6 Å²	61.6	19%	0.19	31%	0.312	C	S	.	.			trans	-129.5	120	-177	-64	171.9	0	0	0	108.5	F50 V55 P60 V63 I312	F50-I57 HydrophobicContact CD1-CD1 3.7Å; F50-I57 HydrophobicContact CE1-CD1 4.01Å; V55-I57 HydrophobicContact CG1-CD1 3.85Å; V55-I57 HydrophobicContact CG1-CG1 3.98Å; I57-P60 HydrophobicContact CG2-CB 4.23Å; I57-V63 HydrophobicContact CG2-CB 4.35Å; I57-V63 HydrophobicContact CG2-CG2 3.59Å; I57-I312 HydrophobicContact CD1-CG1 4.18Å; I57-I312 HydrophobicContact CD1-CG2 4.48Å; I57-I312 HydrophobicContact CG1-CB 4.4Å; I57-I312 HydrophobicContact CG1-CG1 4.14Å; I57-I312 HydrophobicContact CG1-CG2 4.18Å
58	K	97.9	Very high	96.8	Very high	122 Å²	122	63.5 Å²	63.5	53%	0.53	33%	0.325	S	S	.	.	S	Bend	trans	-72.9	-43.8	179.1	-172.1	172.9	-179.5	175	0	111.9	M307 D308	K58-M307 HydrophobicContact CB-CB 4.29Å; K58-M307 HydrophobicContact CB-CE 4.04Å; K58-M307 VanDerWaalsContact CB-O 3.26Å; K58-M307 WeakPolarHBondContact CB-O 3.5Å; K58-M307 WeakPolarHBondContact CD-O 3.33Å; K58-D308 WeakPolarHBondContact CD-OD1 3.47Å; K58-D308 WeakPolarHBondContact CE-OD1 3.24Å; K58-D308 IonicContact NZ-OD1 2.57Å; K58-D308 PolarHBondContact NZ-OD1 3.35Å; K58-D308 IonicContact NZ-OD2 3.35Å; K58-D308 PolarHBondContact NZ-OD2 2.77Å
59	N	97.4	Very high	97	Very high	81 Å²	81	59.1 Å²	59.1	43%	0.433	30%	0.298	S	S	.	.			trans	-126.5	85.9	-179.1	-170.1	-18.2	0	0	0	111.7	T61 R62 V63	N59-T61 VanDerWaalsContact C-N 3.31Å; N59-T61 PolarHBondContact O-N 3.39Å; N59-T61 PolarHBondContact OD1-N 3.24Å; N59-R62 HydrophobicContact CB-CB 4.02Å; N59-R62 PolarHBondContact O-N 3.21Å; N59-R62 PolarHBondContact OD1-N 3.49Å; N59-R62 VanDerWaalsContact OD1-N 3.13Å; N59-V63 PolarHBondContact O-N 3.08Å; N59-V63 VanDerWaalsContact O-N 3.13Å
60	P	95.5	Very high	97.1	Very high	49 Å²	49	56.5 Å²	56.5	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-36.7	-177.5	17.8	-29.5	0	0	0	113.9	I44 I57 R62 V63 E64	I44-P60 HydrophobicContact CD1-CB 3.29Å; I57-P60 HydrophobicContact CG2-CB 4.23Å; P60-R62 PolarHBondContact O-N 2.94Å; P60-V63 PolarHBondContact O-N 3.31Å; P60-E64 WeakPolarHBondContact O-CG 3.47Å; P60-E64 PolarHBondContact O-N 2.73Å
61	T	95.3	Very high	97.2	Very high	66 Å²	66	58.7 Å²	58.7	41%	0.405	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-42.5	179.1	-55.6	0	0	0	0	111.4	K42 N59 E64 E65	K42-T61 PolarHBondContact NZ-OG1 2.9Å; N59-T61 VanDerWaalsContact C-N 3.31Å; N59-T61 PolarHBondContact O-N 3.39Å; N59-T61 PolarHBondContact OD1-N 3.24Å; T61-E64 PolarHBondContact O-N 3.5Å; T61-E65 WeakPolarHBondContact O-CG 3.35Å; T61-E65 PolarHBondContact O-N 2.91Å
62	R	96.4	Very high	97.3	Very high	139 Å²	139	61.6 Å²	61.6	53%	0.525	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.2	178.1	178.6	170.7	165	0.4	111.6	N59 P60 E64 E65 I66 D311	N59-R62 HydrophobicContact CB-CB 4.02Å; N59-R62 PolarHBondContact O-N 3.21Å; N59-R62 PolarHBondContact OD1-N 3.49Å; N59-R62 VanDerWaalsContact OD1-N 3.13Å; P60-R62 PolarHBondContact O-N 2.94Å; R62-E64 VanDerWaalsContact C-N 3.31Å; R62-E64 PolarHBondContact O-N 3.17Å; R62-E65 PolarHBondContact O-N 2.96Å; R62-I66 HydrophobicContact CG-CD1 3.94Å; R62-I66 VanDerWaalsContact O-CG1 3.32Å; R62-I66 WeakPolarHBondContact O-CG1 3.47Å; R62-I66 PolarHBondContact O-N 3.22Å; R62-D311 IonicContact NE-OD1 3.35Å
63	V	97.5	Very high	97.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-44.9	176.1	172.5	0	0	0	0	111	I44 F50 I57 N59 P60 I66 I67 L290 D311 I312	I44-V63 HydrophobicContact CG2-CG1 4.31Å; F50-V63 HydrophobicContact CE1-CG1 4.3Å; I57-V63 HydrophobicContact CG2-CB 4.35Å; I57-V63 HydrophobicContact CG2-CG2 3.59Å; N59-V63 PolarHBondContact O-N 3.08Å; N59-V63 VanDerWaalsContact O-N 3.13Å; P60-V63 PolarHBondContact O-N 3.31Å; V63-I66 PolarHBondContact O-N 2.94Å; V63-I67 HydrophobicContact CG1-CD1 3.69Å; V63-I67 HydrophobicContact CG1-CG1 4.38Å; V63-I67 WeakPolarHBondContact O-CG1 3.32Å; V63-I67 PolarHBondContact O-N 3.32Å; V63-L290 HydrophobicContact CG1-CD1 4.33Å; V63-D311 HydrophobicContact CG2-CB 4.01Å; V63-D311 WeakPolarHBondContact CG2-O 3.44Å; V63-I312 HydrophobicContact CG1-CD1 3.93Å; V63-I312 HydrophobicContact CG1-CG1 4.01Å; V63-I312 HydrophobicContact CG2-CG1 4.18Å
64	E	95.4	Very high	97.4	Very high	26 Å²	26	54 Å²	54	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-42.3	176.4	-71.8	164	-128.4	0	0	112.9	K42 I44 P60 T61 R62 I66 I67 C68	K42-E64 HydrophobicContact CB-CG 4.5Å; K42-E64 VanDerWaalsContact CB-OE1 3.24Å; K42-E64 WeakPolarHBondContact CB-OE1 3.48Å; K42-E64 VanDerWaalsContact CB-OE2 3.28Å; K42-E64 WeakPolarHBondContact CB-OE2 3.49Å; K42-E64 WeakPolarHBondContact CD-OE1 3.21Å; K42-E64 VanDerWaalsContact CE-OE1 3.23Å; K42-E64 WeakPolarHBondContact CE-OE1 3.36Å; K42-E64 VanDerWaalsContact CG-OE1 3.27Å; K42-E64 WeakPolarHBondContact CG-OE1 3.44Å; K42-E64 WeakPolarHBondContact CG-OE2 3.33Å; K42-E64 IonicContact NZ-OE1 2.74Å; K42-E64 PolarHBondContact NZ-OE1 3.13Å; K42-E64 IonicContact NZ-OE2 3.94Å; I44-E64 HydrophobicContact CB-CG 4.36Å; I44-E64 HydrophobicContact CD1-CG 3.93Å; I44-E64 VanDerWaalsContact CD1-OE1 3.23Å; I44-E64 WeakPolarHBondContact CD1-OE1 3.43Å; I44-E64 HydrophobicContact CG1-CG 3.77Å; I44-E64 WeakPolarHBondContact CG1-OE1 3.16Å; I44-E64 HydrophobicContact CG2-CG 3.81Å; P60-E64 WeakPolarHBondContact O-CG 3.47Å; P60-E64 PolarHBondContact O-N 2.73Å; T61-E64 PolarHBondContact O-N 3.5Å; R62-E64 VanDerWaalsContact C-N 3.31Å; R62-E64 PolarHBondContact O-N 3.17Å; E64-I66 VanDerWaalsContact C-N 3.34Å; E64-I67 PolarHBondContact O-N 2.84Å; E64-C68 WeakPolarHBondContact O-CB 3.14Å; E64-C68 PolarHBondContact O-N 3.12Å; E64-C68 PolarHBondContact O-SG 2.92Å
65	E	96.8	Very high	97.4	Very high	130 Å²	130	54.6 Å²	54.6	61%	0.607	28%	0.275	S	S	*	.	H	α-helix	trans	-60.6	-44.6	176.7	-73.6	169.1	-178.5	0	0	111.3	T61 R62 C68 G69	T61-E65 WeakPolarHBondContact O-CG 3.35Å; T61-E65 PolarHBondContact O-N 2.91Å; R62-E65 PolarHBondContact O-N 2.96Å; E65-C68 PolarHBondContact O-N 3.29Å; E65-G69 PolarHBondContact O-N 3.28Å
66	I	98.4	Very high	97.4	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-51.9	175.9	-64.6	164	0	0	0	110.1	R62 V63 E64 C68 G69 L70 L290	R62-I66 HydrophobicContact CG-CD1 3.94Å; R62-I66 VanDerWaalsContact O-CG1 3.32Å; R62-I66 WeakPolarHBondContact O-CG1 3.47Å; R62-I66 PolarHBondContact O-N 3.22Å; V63-I66 PolarHBondContact O-N 2.94Å; E64-I66 VanDerWaalsContact C-N 3.34Å; I66-C68 VanDerWaalsContact C-N 3.29Å; I66-C68 PolarHBondContact O-N 3.35Å; I66-G69 CarbonylContact O-C 3.54Å; I66-G69 WeakPolarHBondContact O-CA 3.5Å; I66-G69 PolarHBondContact O-N 2.83Å; I66-L70 HydrophobicContact CG2-CD1 4.39Å; I66-L70 HydrophobicContact CG2-CG 4.36Å; I66-L70 WeakPolarHBondContact O-CG 3.25Å; I66-L70 PolarHBondContact O-N 3.24Å; I66-L290 HydrophobicContact CB-CD1 4.47Å; I66-L290 HydrophobicContact CG2-CB 3.7Å; I66-L290 HydrophobicContact CG2-CD1 4.06Å; I66-L290 HydrophobicContact CG2-CG 4.45Å
67	I	97.8	Very high	97.4	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-40.5	179.4	-69.5	171	0	0	0	111	I44 F50 V63 E64 G69 L70 I71 L290 I326	I44-I67 HydrophobicContact CG2-CD1 4.33Å; F50-I67 HydrophobicContact CE1-CD1 4.19Å; F50-I67 HydrophobicContact CZ-CD1 3.83Å; V63-I67 HydrophobicContact CG1-CD1 3.69Å; V63-I67 HydrophobicContact CG1-CG1 4.38Å; V63-I67 WeakPolarHBondContact O-CG1 3.32Å; V63-I67 PolarHBondContact O-N 3.32Å; E64-I67 PolarHBondContact O-N 2.84Å; I67-G69 VanDerWaalsContact C-N 3.29Å; I67-G69 PolarHBondContact O-N 2.95Å; I67-L70 PolarHBondContact O-N 3.31Å; I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 VanDerWaalsContact O-CG1 3.27Å; I67-I71 WeakPolarHBondContact O-CG1 3.13Å; I67-I71 PolarHBondContact O-N 2.89Å; I67-L290 HydrophobicContact CG1-CD2 4.03Å; I67-I326 HydrophobicContact CD1-CD1 4.45Å; I67-I326 HydrophobicContact CD1-CG1 4.21Å
68	C	96.9	Very high	97.4	Very high	45 Å²	45	54.2 Å²	54.2	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-39.8	173.9	-72.7	0	0	0	0	111.9	I43 E64 E65 I66 K72	I43-C68 VanDerWaalsContact CD1-SG 3.59Å; E64-C68 WeakPolarHBondContact O-CB 3.14Å; E64-C68 PolarHBondContact O-N 3.12Å; E64-C68 PolarHBondContact O-SG 2.92Å; E65-C68 PolarHBondContact O-N 3.29Å; I66-C68 VanDerWaalsContact C-N 3.29Å; I66-C68 PolarHBondContact O-N 3.35Å; C68-K72 WeakPolarHBondContact O-CB 3.48Å; C68-K72 VanDerWaalsContact O-CG 3.24Å; C68-K72 WeakPolarHBondContact O-CG 3.49Å; C68-K72 PolarHBondContact O-N 2.68Å
69	G	97.8	Very high	97.4	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-45.5	173.3	0	0	0	0	0	112.7	E65 I66 I67 I71 K72 G73 N266 H288	E65-G69 PolarHBondContact O-N 3.28Å; I66-G69 CarbonylContact O-C 3.54Å; I66-G69 WeakPolarHBondContact O-CA 3.5Å; I66-G69 PolarHBondContact O-N 2.83Å; I67-G69 VanDerWaalsContact C-N 3.29Å; I67-G69 PolarHBondContact O-N 2.95Å; G69-I71 PolarHBondContact O-N 3.09Å; G69-K72 PolarHBondContact O-N 3.23Å; G69-G73 PolarHBondContact O-N 3.34Å; G69-N266 PolarHBondContact O-ND2 3.13Å; G69-H288 VanDerWaalsContact C-CD2 3.48Å; G69-H288 WeakPolarHBondContact CA-CD2 3.36Å; G69-H288 VanDerWaalsContact CA-NE2 3.35Å; G69-H288 WeakPolarHBondContact CA-NE2 3.44Å
70	L	98.3	Very high	97.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-47.6	175.7	-61	179.1	0	0	0	111.5	I66 I67 K72 G73 G74 N266 I268 H288 L290 I326 I330	I66-L70 HydrophobicContact CG2-CD1 4.39Å; I66-L70 HydrophobicContact CG2-CG 4.36Å; I66-L70 WeakPolarHBondContact O-CG 3.25Å; I66-L70 PolarHBondContact O-N 3.24Å; I67-L70 PolarHBondContact O-N 3.31Å; L70-K72 PolarHBondContact O-N 3.12Å; L70-G73 PolarHBondContact O-N 3.29Å; L70-G74 PolarHBondContact O-N 3.41Å; L70-N266 HydrophobicContact CD2-CB 3.66Å; L70-I268 HydrophobicContact CD1-CD1 4.26Å; L70-I268 HydrophobicContact CD1-CG1 3.89Å; L70-H288 HydrophobicContact CD2-CB 3.97Å; L70-L290 HydrophobicContact CD1-CB 3.95Å; L70-L290 HydrophobicContact CD1-CD2 4.17Å; L70-I326 HydrophobicContact CD1-CG2 4.44Å; L70-I330 HydrophobicContact CB-CD1 3.65Å; L70-I330 HydrophobicContact CB-CG1 4.02Å; L70-I330 HydrophobicContact CD1-CD1 4.1Å; L70-I330 HydrophobicContact CG-CD1 4.48Å
71	I	97.8	Very high	97.7	Very high	59 Å²	59	42.3 Å²	42.3	30%	0.303	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-43.1	178	-67	165.8	0	0	0	111.1	I43 I67 G69 G73 G74 K329 I330	I43-I71 HydrophobicContact CD1-CD1 4.44Å; I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 VanDerWaalsContact O-CG1 3.27Å; I67-I71 WeakPolarHBondContact O-CG1 3.13Å; I67-I71 PolarHBondContact O-N 2.89Å; G69-I71 PolarHBondContact O-N 3.09Å; I71-G73 VanDerWaalsContact C-N 3.31Å; I71-G73 PolarHBondContact O-N 3.19Å; I71-G74 PolarHBondContact O-N 3.42Å; I71-K329 HydrophobicContact CD1-CB 3.78Å; I71-K329 HydrophobicContact CG1-CB 4.01Å; I71-I330 HydrophobicContact CG1-CG1 4.01Å
72	K	97.9	Very high	97.8	Very high	183 Å²	183	39.2 Å²	39.2	80%	0.796	21%	0.209	S	C	*	.	H	α-helix	trans	-63.7	-35.6	178	-76.8	172	-177.8	177.6	0	112.9	C68 G69 L70	C68-K72 WeakPolarHBondContact O-CB 3.48Å; C68-K72 VanDerWaalsContact O-CG 3.24Å; C68-K72 WeakPolarHBondContact O-CG 3.49Å; C68-K72 PolarHBondContact O-N 2.68Å; G69-K72 PolarHBondContact O-N 3.23Å; L70-K72 PolarHBondContact O-N 3.12Å
73	G	97.6	Very high	97.9	Very high	18 Å²	18	33 Å²	33	19%	0.186	19%	0.187	C	C	.	.	H	α-helix	trans	-76	-28.8	176.9	0	0	0	0	0	113.4	G69 L70 I71	G69-G73 PolarHBondContact O-N 3.34Å; L70-G73 PolarHBondContact O-N 3.29Å; I71-G73 VanDerWaalsContact C-N 3.31Å; I71-G73 PolarHBondContact O-N 3.19Å
74	G	98.2	Very high	98	Very high	15 Å²	15	33 Å²	33	16%	0.155	19%	0.186	C	C	.	.	H	α-helix	trans	60.9	-163.4	179.6	0	0	0	0	0	113.2	L70 I71 A76 K77 L78	L70-G74 PolarHBondContact O-N 3.41Å; I71-G74 PolarHBondContact O-N 3.42Å; G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.36Å; G74-K77 PolarHBondContact O-N 2.84Å; G74-L78 PolarHBondContact O-N 2.83Å
75	A	98	Very high	98.2	Very high	31 Å²	31	32.5 Å²	32.5	26%	0.256	19%	0.185	S	C	.	.	H	α-helix	trans	-55.9	-42	-179.2	0	0	0	0	0	113.6	K77 L78 H190 I192 L331	A75-K77 PolarHBondContact O-N 2.78Å; A75-K77 VanDerWaalsContact O-N 3.14Å; A75-L78 PolarHBondContact O-N 3.39Å; A75-L78 VanDerWaalsContact O-N 3.1Å; A75-H190 HydrophobicContact CB-CB 4.36Å; A75-I192 HydrophobicContact CB-CD1 3.77Å; A75-I192 WeakPolarHBondContact O-CD1 3.25Å; A75-L331 HydrophobicContact CB-CD2 3.58Å
76	A	97.5	Very high	98.2	Very high	84 Å²	84	26.6 Å²	26.6	69%	0.694	16%	0.157	S	C	*	.	H	α-helix	trans	-62.8	-25.3	-172.3	0	0	0	0	0	114	G74	G74-A76 VanDerWaalsContact C-N 3.32Å; G74-A76 PolarHBondContact O-N 3.36Å
77	K	98.3	Very high	98.3	Very high	66 Å²	66	25.8 Å²	25.8	29%	0.287	15%	0.153	S	C	.	.	H	α-helix	trans	-102.5	-8.5	177.8	-66.8	-161.2	175.3	-164	0	113.6	G74 A75 N264 S265 N266 E287	G74-K77 PolarHBondContact O-N 2.84Å; A75-K77 PolarHBondContact O-N 2.78Å; A75-K77 VanDerWaalsContact O-N 3.14Å; K77-N264 CarbonylContact O-C 3.56Å; K77-N264 WeakPolarHBondContact O-CA 3.44Å; K77-S265 PolarHBondContact O-N 2.92Å; K77-N266 HydrophobicContact CB-CB 4.14Å; K77-N266 WeakPolarHBondContact O-CA 3.39Å; K77-N266 WeakPolarHBondContact O-CB 3.26Å; K77-N266 PolarHBondContact O-N 3.05Å; K77-E287 IonicContact NZ-OE1 3.18Å; K77-E287 PolarHBondContact NZ-OE1 3.24Å; K77-E287 IonicContact NZ-OE2 2.65Å; K77-E287 PolarHBondContact NZ-OE2 2.9Å
78	L	98.7	Very high	98.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.3	-170.5	-175.1	66.9	0	0	0	111.6	G74 A75 I80 I192 N264 N266 I268 L327 I330 L331	G74-L78 PolarHBondContact O-N 2.83Å; A75-L78 PolarHBondContact O-N 3.39Å; A75-L78 VanDerWaalsContact O-N 3.1Å; L78-I80 HydrophobicContact CD1-CD1 4.47Å; L78-I80 HydrophobicContact CD2-CD1 4.4Å; L78-I80 HydrophobicContact CG-CD1 4.39Å; L78-I192 HydrophobicContact CB-CD1 4.33Å; L78-I192 HydrophobicContact CB-CG2 4.29Å; L78-I192 HydrophobicContact CD2-CD1 4.48Å; L78-I192 HydrophobicContact CD2-CG1 4.44Å; L78-I192 HydrophobicContact CD2-CG2 4.04Å; L78-I192 HydrophobicContact CG-CG2 3.93Å; L78-N264 PolarHBondContact O-ND2 2.94Å; L78-N266 CarbonylContact C-O 3.45Å; L78-N266 WeakPolarHBondContact CA-O 3.33Å; L78-I268 HydrophobicContact CD1-CD1 4.19Å; L78-I268 HydrophobicContact CD1-CG1 4.12Å; L78-L327 HydrophobicContact CD2-CD2 3.81Å; L78-I330 HydrophobicContact CD2-CD1 4.47Å; L78-I330 HydrophobicContact CD2-CG2 4.17Å; L78-L331 HydrophobicContact CD2-CD2 4.21Å
79	Q	98.6	Very high	98.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.4	159.9	62.1	178.5	-58.4	0	0	110.5	P193 N264 N266 I267 I268	Q79-P193 HydrophobicContact CB-CB 4.31Å; Q79-N264 HydrophobicContact CB-CB 3.94Å; Q79-N264 HydrophobicContact CG-CB 4.02Å; Q79-N264 PolarHBondContact NE2-O 3.34Å; Q79-N266 PolarHBondContact N-O 2.85Å; Q79-I267 HydrophobicContact CG-CG1 3.83Å; Q79-I267 WeakPolarHBondContact O-CA 3.41Å; Q79-I268 PolarHBondContact O-N 2.82Å
80	I	98.8	Very high	98.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.6	177.7	-52	-57.3	0	0	0	109.2	L78 T82 F183 L187 I192 P193 V194 F195 I268 L327	L78-I80 HydrophobicContact CD1-CD1 4.47Å; L78-I80 HydrophobicContact CD2-CD1 4.4Å; L78-I80 HydrophobicContact CG-CD1 4.39Å; I80-T82 HydrophobicContact CG2-CG2 4.35Å; I80-F183 HydrophobicContact CG2-CZ 4.02Å; I80-L187 HydrophobicContact CD1-CD2 3.94Å; I80-L187 HydrophobicContact CG1-CD1 3.88Å; I80-L187 HydrophobicContact CG1-CD2 3.56Å; I80-L187 HydrophobicContact CG1-CG 4.39Å; I80-I192 HydrophobicContact CG1-CG2 4.07Å; I80-P193 PolarHBondContact N-O 2.92Å; I80-V194 HydrophobicContact CB-CB 4.46Å; I80-V194 HydrophobicContact CB-CG1 4.27Å; I80-V194 HydrophobicContact CB-CG2 4.21Å; I80-V194 HydrophobicContact CG1-CG2 4.29Å; I80-V194 HydrophobicContact CG2-CG1 4.28Å; I80-F195 PolarHBondContact O-N 2.77Å; I80-I268 HydrophobicContact CD1-CB 3.81Å; I80-I268 HydrophobicContact CD1-CD1 4.24Å; I80-I268 HydrophobicContact CD1-CG1 4.41Å; I80-L327 HydrophobicContact CD1-CD2 4.27Å
81	I	98.8	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.5	170.4	-66.7	168.4	0	0	0	107.2	F195 F258 I267 I268 L269 L270 M279 A280 V283	I81-F195 WeakPolarHBondContact CA-O 3.35Å; I81-F195 HydrophobicContact CG1-CB 4.23Å; I81-F195 HydrophobicContact CG2-CD1 4.36Å; I81-F258 HydrophobicContact CD1-CE1 3.86Å; I81-F258 HydrophobicContact CD1-CZ 4.35Å; I81-F258 HydrophobicContact CG1-CE1 4.39Å; I81-I267 HydrophobicContact CB-CG2 4.4Å; I81-I267 HydrophobicContact CD1-CG2 3.98Å; I81-I267 HydrophobicContact CG1-CG2 4.33Å; I81-I268 PolarHBondContact N-O 3.1Å; I81-L269 CarbonylContact O-C 3.55Å; I81-L269 WeakPolarHBondContact O-CA 3.46Å; I81-L270 PolarHBondContact O-N 3.03Å; I81-M279 HydrophobicContact CG2-CB 3.48Å; I81-M279 VanDerWaalsContact CG2-CB 3.48Å; I81-M279 HydrophobicContact CG2-CE 4.33Å; I81-A280 HydrophobicContact CD1-CB 3.9Å; I81-V283 HydrophobicContact CD1-CG2 3.57Å
82	T	98.9	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.3	-170.8	-177.4	0	0	0	0	111.8	I80 L88 V194 F195 I196 F197 L270	I80-T82 HydrophobicContact CG2-CG2 4.35Å; T82-L88 HydrophobicContact CG2-CD1 3.76Å; T82-L88 HydrophobicContact CG2-CG 4.41Å; T82-V194 HydrophobicContact CG2-CG1 4.34Å; T82-F195 PolarHBondContact N-O 3Å; T82-I196 HydrophobicContact CG2-CB 4.39Å; T82-I196 HydrophobicContact CG2-CG1 3.88Å; T82-I196 CarbonylContact O-C 3.57Å; T82-I196 WeakPolarHBondContact O-CA 3.35Å; T82-F197 PolarHBondContact O-N 2.81Å; T82-L270 WeakPolarHBondContact CA-O 3.47Å; T82-L270 WeakPolarHBondContact OG1-CB 3.45Å
83	D	98.8	Very high	98.4	Very high	9 Å²	9	21.5 Å²	21.5	5%	0.048	13%	0.128	C	C	.	.			trans	-69.9	172.7	158.7	-174.9	59.3	0	0	0	110.1	D85 T87 L88 K247 L270 M279	D83-D85 PolarHBondContact OD2-N 3.5Å; D83-T87 HydrophobicContact CB-CG2 4.4Å; D83-L88 WeakPolarHBondContact O-CG 3.49Å; D83-K247 VanDerWaalsContact CG-NZ 3.32Å; D83-K247 IonicContact OD1-NZ 2.89Å; D83-K247 PolarHBondContact OD1-NZ 3.16Å; D83-L270 PolarHBondContact N-O 3.49Å; D83-M279 HydrophobicContact CB-CE 4.23Å; D83-M279 HydrophobicContact CB-SD 4.25Å
84	F	98.9	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.			trans	-112.7	-56.8	176.7	-176	-102.7	0	0	0	113.4	M86 T87 L88 S89 C101 L176 I196 L205 V208 I209	F84-M86 PolarHBondContact O-N 3.36Å; F84-T87 PolarHBondContact O-N 2.89Å; F84-L88 HydrophobicContact CD2-CB 4.01Å; F84-L88 HydrophobicContact CD2-CD1 3.98Å; F84-L88 HydrophobicContact CE2-CB 4.39Å; F84-L88 PolarHBondContact O-N 3.29Å; F84-S89 PolarHBondContact O-N 3.33Å; F84-S89 PolarHBondContact O-OG 3.27Å; F84-C101 VanDerWaalsContact CD1-SG 3.5Å; F84-C101 WeakPolarHBondContact CE1-SG 3.46Å; F84-L176 HydrophobicContact CE2-CD2 3.99Å; F84-L176 HydrophobicContact CZ-CD2 4.07Å; F84-I196 HydrophobicContact CB-CG2 3.84Å; F84-I196 HydrophobicContact CD2-CG2 4.36Å; F84-L205 HydrophobicContact CB-CD1 3.55Å; F84-L205 HydrophobicContact CB-CG 4.21Å; F84-L205 HydrophobicContact CD1-CB 4.28Å; F84-L205 HydrophobicContact CD1-CD1 3.87Å; F84-L205 HydrophobicContact CD1-CG 3.72Å; F84-L205 HydrophobicContact CD2-CD1 4.02Å; F84-L205 HydrophobicContact CD2-CD2 4.27Å; F84-L205 HydrophobicContact CD2-CG 3.76Å; F84-L205 HydrophobicContact CE1-CB 4.31Å; F84-L205 HydrophobicContact CE1-CG 3.96Å; F84-L205 HydrophobicContact CE2-CD2 4.42Å; F84-L205 HydrophobicContact CE2-CG 4.01Å; F84-L205 HydrophobicContact CG-CD1 3.53Å; F84-L205 HydrophobicContact CG-CG 3.6Å; F84-L205 HydrophobicContact CZ-CG 4.09Å; F84-V208 HydrophobicContact CZ-CB 4.08Å; F84-V208 HydrophobicContact CZ-CG1 3.84Å; F84-I209 HydrophobicContact CE2-CG2 3.66Å; F84-I209 HydrophobicContact CZ-CG2 4.31Å
85	D	98.7	Very high	97.9	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	124.1	-168.9	-83.7	-43.1	0	0	0	109.1	D83 T87 S89 T100 C101	D83-D85 PolarHBondContact OD2-N 3.5Å; D85-T87 PolarHBondContact O-N 3.09Å; D85-S89 WeakPolarHBondContact CA-OG 3.39Å; D85-T100 HydrophobicContact CB-CG2 4.23Å; D85-T100 VanDerWaalsContact OD1-CA 3.23Å; D85-T100 WeakPolarHBondContact OD1-CA 3.44Å; D85-C101 PolarHBondContact OD1-N 2.83Å; D85-C101 PolarHBondContact OD1-SG 3.41Å; D85-C101 VanDerWaalsContact OD1-SG 3.42Å; D85-C101 PolarHBondContact OD2-N 2.93Å
86	M	98.4	Very high	97.8	Very high	7 Å²	7	37 Å²	37	3%	0.034	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-6.3	-178	-33.7	-67.7	88	0	0	115.1	F84 S89 R90 F91 T100 K177 D272 N296	F84-M86 PolarHBondContact O-N 3.36Å; M86-S89 CarbonylContact C-O 3.55Å; M86-S89 WeakPolarHBondContact CA-O 3.49Å; M86-S89 WeakPolarHBondContact CE-OG 3.5Å; M86-S89 PolarHBondContact N-OG 3.44Å; M86-R90 WeakPolarHBondContact CE-O 3.49Å; M86-F91 HydrophobicContact CB-CD2 4.36Å; M86-F91 HydrophobicContact CG-CD2 4.19Å; M86-F91 HydrophobicContact SD-CB 4.36Å; M86-F91 HydrophobicContact SD-CD2 3.78Å; M86-F91 HydrophobicContact SD-CG 4.46Å; M86-T100 HydrophobicContact CE-CG2 3.77Å; M86-T100 HydrophobicContact SD-CG2 4.14Å; M86-K177 VanDerWaalsContact O-CE 3.25Å; M86-K177 WeakPolarHBondContact O-CE 3.18Å; M86-K177 PolarHBondContact O-NZ 2.62Å; M86-D272 HydrophobicContact CB-CB 4.44Å; M86-N296 PolarHBondContact O-ND2 2.97Å
87	T	98.8	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-58.9	170	-66.8	0	0	0	0	111.9	D83 F84 D85 K177 L270 G271 D272 Y294	D83-T87 HydrophobicContact CB-CG2 4.4Å; F84-T87 PolarHBondContact O-N 2.89Å; D85-T87 PolarHBondContact O-N 3.09Å; T87-K177 WeakPolarHBondContact O-CD 3.18Å; T87-K177 WeakPolarHBondContact O-CE 3.44Å; T87-L270 HydrophobicContact CG2-CB 3.71Å; T87-G271 WeakPolarHBondContact OG1-CA 3.31Å; T87-D272 WeakPolarHBondContact OG1-CB 3.48Å; T87-D272 PolarHBondContact OG1-N 3.3Å; T87-D272 PolarHBondContact OG1-OD1 2.96Å; T87-Y294 HydrophobicContact CG2-CD2 4.18Å; T87-Y294 HydrophobicContact CG2-CE2 4.36Å
88	L	98.9	Very high	97.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-33	173.5	-68.4	174.7	0	0	0	111.3	T82 D83 F84 L176 K177 F183 F184 I196 L320	T82-L88 HydrophobicContact CG2-CD1 3.76Å; T82-L88 HydrophobicContact CG2-CG 4.41Å; D83-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 HydrophobicContact CD2-CB 4.01Å; F84-L88 HydrophobicContact CD2-CD1 3.98Å; F84-L88 HydrophobicContact CE2-CB 4.39Å; F84-L88 PolarHBondContact O-N 3.29Å; L88-L176 WeakPolarHBondContact O-CA 2.92Å; L88-K177 PolarHBondContact O-N 2.77Å; L88-F183 HydrophobicContact CD2-CD1 4.47Å; L88-F183 HydrophobicContact CD2-CE1 4.07Å; L88-F184 HydrophobicContact CD1-CZ 3.98Å; L88-I196 HydrophobicContact CD1-CD1 4.07Å; L88-I196 HydrophobicContact CD1-CG1 4.36Å; L88-L320 HydrophobicContact CD2-CD1 4.23Å; L88-L320 HydrophobicContact CD2-CD2 4.19Å
89	S	98.9	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-83.9	154.4	167.3	69.9	0	0	0	0	111.4	F84 D85 M86 M175	F84-S89 PolarHBondContact O-N 3.33Å; F84-S89 PolarHBondContact O-OG 3.27Å; D85-S89 WeakPolarHBondContact CA-OG 3.39Å; M86-S89 CarbonylContact C-O 3.55Å; M86-S89 WeakPolarHBondContact CA-O 3.49Å; M86-S89 WeakPolarHBondContact CE-OG 3.5Å; M86-S89 PolarHBondContact N-OG 3.44Å; S89-M175 CarbonylContact C-O 3.57Å; S89-M175 VanDerWaalsContact CA-O 3.31Å; S89-M175 WeakPolarHBondContact CA-O 3.45Å; S89-M175 WeakPolarHBondContact CB-O 3.37Å
90	R	98.8	Very high	97.7	Very high	39 Å²	39	36.5 Å²	36.5	15%	0.147	19%	0.187	C	C	.	.			trans	-69.7	149.4	177.7	-64.5	-172.6	-172.9	-140.1	-1.8	110.6	M86 C98 M175 L176 K177 E318	M86-R90 WeakPolarHBondContact CE-O 3.49Å; R90-C98 HydrophobicContact CB-CB 4.4Å; R90-C98 VanDerWaalsContact O-CB 3.26Å; R90-C98 WeakPolarHBondContact O-CB 3.48Å; R90-M175 HydrophobicContact CB-CB 4.3Å; R90-M175 HydrophobicContact CG-CB 4.04Å; R90-M175 PolarHBondContact N-O 2.99Å; R90-L176 WeakPolarHBondContact CG-O 3.25Å; R90-L176 PolarHBondContact NE-O 3.45Å; R90-K177 HydrophobicContact CG-CG 4.23Å; R90-E318 WeakPolarHBondContact CA-OE2 3.27Å; R90-E318 WeakPolarHBondContact CB-OE2 3.46Å; R90-E318 HydrophobicContact CG-CB 4.33Å
91	F	98.2	Very high	97.7	Very high	32 Å²	32	36.4 Å²	36.4	14%	0.14	19%	0.187	C	C	.	.	S	Bend	trans	-80.7	-38.7	169.4	177.5	-98	0	0	0	111.4	M86 R97 C98 N296 D297 E318	M86-F91 HydrophobicContact CB-CD2 4.36Å; M86-F91 HydrophobicContact CG-CD2 4.19Å; M86-F91 HydrophobicContact SD-CB 4.36Å; M86-F91 HydrophobicContact SD-CD2 3.78Å; M86-F91 HydrophobicContact SD-CG 4.46Å; F91-R97 WeakPolarHBondContact O-CA 3.36Å; F91-R97 WeakPolarHBondContact O-CG 3.31Å; F91-C98 PolarHBondContact O-N 3.07Å; F91-N296 HydrophobicContact CB-CB 3.76Å; F91-N296 HydrophobicContact CD1-CB 4Å; F91-N296 HydrophobicContact CD2-CB 3.51Å; F91-N296 HydrophobicContact CE1-CB 4.46Å; F91-N296 HydrophobicContact CE2-CB 4.02Å; F91-N296 HydrophobicContact CG-CB 3.5Å; F91-N296 VanDerWaalsContact CG-CB 3.5Å; F91-N296 HydrophobicContact CZ-CB 4.47Å; F91-D297 HydrophobicContact CE2-CB 4.26Å; F91-D297 HydrophobicContact CZ-CB 3.83Å; F91-E318 WeakPolarHBondContact CA-OE1 3.18Å; F91-E318 WeakPolarHBondContact CB-OE1 3.38Å; F91-E318 PolarHBondContact N-OE1 3.11Å; F91-E318 VanDerWaalsContact N-OE1 3.13Å; F91-E318 PolarHBondContact N-OE2 2.81Å
92	S	96.8	Very high	97.6	Very high	39 Å²	39	37.3 Å²	37.3	27%	0.273	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	158.3	179.8	69.5	0	0	0	0	113.1	K96 E318	S92-K96 CarbonylContact C-O 3.52Å; S92-K96 VanDerWaalsContact CA-O 3.22Å; S92-K96 WeakPolarHBondContact CA-O 3.46Å; S92-K96 WeakPolarHBondContact CB-O 3.31Å; S92-E318 PolarHBondContact N-OE1 3.2Å; S92-E318 PolarHBondContact OG-OE1 2.86Å
93	Y	97.5	Very high	97.6	Very high	92 Å²	92	38.3 Å²	38.3	36%	0.361	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.3	172.7	-175.8	-110	0	0	0	110	G95 K96 M175	Y93-G95 PolarHBondContact O-N 3.49Å; Y93-K96 PolarHBondContact N-O 3.47Å; Y93-K96 PolarHBondContact O-N 3.27Å; Y93-M175 HydrophobicContact CD1-CE 4.33Å; Y93-M175 HydrophobicContact CD1-SD 3.56Å; Y93-M175 VanDerWaalsContact CD1-SD 3.56Å; Y93-M175 HydrophobicContact CD2-CE 4.17Å; Y93-M175 HydrophobicContact CD2-SD 3.69Å; Y93-M175 HydrophobicContact CE1-CE 4.23Å; Y93-M175 HydrophobicContact CE1-SD 4.06Å; Y93-M175 HydrophobicContact CE2-CE 4.07Å; Y93-M175 HydrophobicContact CE2-SD 4.17Å; Y93-M175 HydrophobicContact CG-CE 4.29Å; Y93-M175 HydrophobicContact CG-SD 3.34Å
94	K	95.1	Very high	97.6	Very high	178 Å²	178	38.1 Å²	38.1	77%	0.774	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	41.3	-179.1	-64.1	178.4	175	168.7	0	113.4	K96	K94-K96 VanDerWaalsContact C-N 3.28Å; K94-K96 PolarHBondContact O-N 3.42Å
95	G	91.4	Very high	97.6	Very high	82 Å²	82	38.1 Å²	38.1	85%	0.845	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-0.5	178.7	0	0	0	0	0	115.4	Y93	Y93-G95 PolarHBondContact O-N 3.49Å
96	K	95.2	Very high	97.5	Very high	129 Å²	129	38 Å²	38	56%	0.561	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	135	172.5	-172.9	-174.2	176.9	-170.1	0	109.7	S92 Y93 K94 C98 D173	S92-K96 CarbonylContact C-O 3.52Å; S92-K96 VanDerWaalsContact CA-O 3.22Å; S92-K96 WeakPolarHBondContact CA-O 3.46Å; S92-K96 WeakPolarHBondContact CB-O 3.31Å; Y93-K96 PolarHBondContact N-O 3.47Å; Y93-K96 PolarHBondContact O-N 3.27Å; K94-K96 VanDerWaalsContact C-N 3.28Å; K94-K96 PolarHBondContact O-N 3.42Å; K96-C98 PolarHBondContact O-N 3.13Å; K96-D173 IonicContact NZ-OD2 2.64Å; K96-D173 PolarHBondContact NZ-OD2 3.21Å
97	R	95.7	Very high	97.4	Very high	94 Å²	94	42 Å²	42	36%	0.355	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	130.9	173.8	-166.8	174.7	178.3	179.5	1.3	110.2	F91	F91-R97 WeakPolarHBondContact O-CA 3.36Å; F91-R97 WeakPolarHBondContact O-CG 3.31Å
98	C	97.9	Very high	97.3	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.054	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-77.3	152.6	175.2	-75	0	0	0	0	110.5	R90 F91 K96	R90-C98 HydrophobicContact CB-CB 4.4Å; R90-C98 VanDerWaalsContact O-CB 3.26Å; R90-C98 WeakPolarHBondContact O-CB 3.48Å; F91-C98 PolarHBondContact O-N 3.07Å; K96-C98 PolarHBondContact O-N 3.13Å
99	P	98	Very high	97.2	Very high	15 Å²	15	50.1 Å²	50.1	10%	0.097	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-76.8	140.8	-179	32	-34.5	0	0	0	111.7	N103 I104 D173 V174	P99-N103 HydrophobicContact CB-CB 3.72Å; P99-I104 HydrophobicContact CB-CG1 4.09Å; P99-I104 HydrophobicContact CG-CG1 4.06Å; P99-D173 VanDerWaalsContact CD-O 3.31Å; P99-D173 WeakPolarHBondContact CD-O 3.32Å; P99-D173 HydrophobicContact CG-CB 4.38Å; P99-V174 HydrophobicContact CG-CB 4.24Å
100	T	98.4	Very high	97.1	Very high	24 Å²	24	53.4 Å²	53.4	15%	0.147	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-71.7	172	158.8	65.4	0	0	0	0	110.9	D85 M86 H102 N103 I104	D85-T100 HydrophobicContact CB-CG2 4.23Å; D85-T100 VanDerWaalsContact OD1-CA 3.23Å; D85-T100 WeakPolarHBondContact OD1-CA 3.44Å; M86-T100 HydrophobicContact CE-CG2 3.77Å; M86-T100 HydrophobicContact SD-CG2 4.14Å; T100-H102 VanDerWaalsContact C-N 3.26Å; T100-H102 PolarHBondContact O-N 3.03Å; T100-N103 CarbonylContact O-C 3.57Å; T100-N103 WeakPolarHBondContact O-CA 3.4Å; T100-N103 PolarHBondContact O-N 3.36Å; T100-N103 PolarHBondContact OG1-N 3.39Å; T100-I104 WeakPolarHBondContact O-CG1 3.31Å; T100-I104 PolarHBondContact O-N 3.49Å
101	C	98.7	Very high	97.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-53.7	-41.3	172.9	-67.3	0	0	0	0	113	F84 D85 I104 I201 V204	F84-C101 VanDerWaalsContact CD1-SG 3.5Å; F84-C101 WeakPolarHBondContact CE1-SG 3.46Å; D85-C101 PolarHBondContact OD1-N 2.83Å; D85-C101 PolarHBondContact OD1-SG 3.41Å; D85-C101 VanDerWaalsContact OD1-SG 3.42Å; D85-C101 PolarHBondContact OD2-N 2.93Å; C101-I104 PolarHBondContact O-N 3.13Å; C101-I201 HydrophobicContact CB-CB 4.22Å; C101-V204 HydrophobicContact CB-CB 4.31Å; C101-V204 HydrophobicContact CB-CG1 4.1Å
102	H	98.4	Very high	97.1	Very high	18 Å²	18	53.9 Å²	53.9	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-45.5	172.2	-71.5	76.2	0	0	0	111.8	T100 I104 I105 D106 Y148 H152 I201	T100-H102 VanDerWaalsContact C-N 3.26Å; T100-H102 PolarHBondContact O-N 3.03Å; H102-I104 PolarHBondContact O-N 2.93Å; H102-I105 WeakPolarHBondContact O-CA 3.27Å; H102-I105 WeakPolarHBondContact O-CB 3.37Å; H102-I105 PolarHBondContact O-N 3.28Å; H102-D106 PolarHBondContact O-N 3.23Å; H102-Y148 AromaticContact CE1-CE1 3.74Å; H102-Y148 AromaticContact NE2-CE1 3.94Å; H102-H152 AromaticContact CD2-NE2 3.97Å; H102-H152 AromaticContact CE1-NE2 3.95Å; H102-H152 AromaticContact NE2-CD2 3.6Å; H102-H152 AromaticContact NE2-NE2 3.06Å; H102-H152 PolarHBondContact NE2-NE2 3.35Å; H102-I201 HydrophobicContact CB-CD1 4.43Å
103	N	98	Very high	97.1	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.112	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-19.2	-178.8	-65.1	163.3	0	0	0	113.5	P99 T100 I105 D106 N107 K123	P99-N103 HydrophobicContact CB-CB 3.72Å; T100-N103 CarbonylContact O-C 3.57Å; T100-N103 WeakPolarHBondContact O-CA 3.4Å; T100-N103 PolarHBondContact O-N 3.36Å; T100-N103 PolarHBondContact OG1-N 3.39Å; N103-I105 VanDerWaalsContact C-N 3.35Å; N103-D106 PolarHBondContact ND2-OD2 2.97Å; N103-N107 VanDerWaalsContact O-CA 3.24Å; N103-N107 WeakPolarHBondContact O-CA 3.47Å; N103-N107 WeakPolarHBondContact O-CB 3.41Å; N103-N107 PolarHBondContact O-N 2.78Å; N103-N107 PolarHBondContact O-ND2 2.7Å; N103-K123 PolarHBondContact OD1-NZ 3.4Å
104	I	98.8	Very high	97.2	Very high	5 Å²	5	59 Å²	59	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-44.7	167.4	-69.3	169.4	0	0	0	109.9	P99 T100 C101 H102 C108 I168 V169 V174 V204 V208	P99-I104 HydrophobicContact CB-CG1 4.09Å; P99-I104 HydrophobicContact CG-CG1 4.06Å; T100-I104 WeakPolarHBondContact O-CG1 3.31Å; T100-I104 PolarHBondContact O-N 3.49Å; C101-I104 PolarHBondContact O-N 3.13Å; H102-I104 PolarHBondContact O-N 2.93Å; I104-C108 PolarHBondContact O-N 3.43Å; I104-I168 HydrophobicContact CG2-CG2 3.75Å; I104-V169 HydrophobicContact CG2-CG2 4.18Å; I104-V174 HydrophobicContact CD1-CB 3.75Å; I104-V174 HydrophobicContact CD1-CG1 4.26Å; I104-V174 HydrophobicContact CD1-CG2 3.84Å; I104-V174 HydrophobicContact CG1-CB 4.28Å; I104-V204 HydrophobicContact CB-CG1 4.03Å; I104-V204 HydrophobicContact CD1-CG1 3.65Å; I104-V204 HydrophobicContact CG1-CG1 4.44Å; I104-V204 HydrophobicContact CG2-CG1 3.98Å; I104-V208 HydrophobicContact CD1-CG2 3.84Å
105	I	98.4	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.2	-50.4	177.1	-57.8	-57.2	0	0	0	111.3	H102 N103 N107 C108 V111 L155 L160 L165 I168 I201 V204 M226	H102-I105 WeakPolarHBondContact O-CA 3.27Å; H102-I105 WeakPolarHBondContact O-CB 3.37Å; H102-I105 PolarHBondContact O-N 3.28Å; N103-I105 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 2.79Å; I105-N107 VanDerWaalsContact O-N 3.13Å; I105-C108 PolarHBondContact O-N 2.92Å; I105-C108 PolarHBondContact O-SG 2.94Å; I105-V111 HydrophobicContact CG2-CG2 4.22Å; I105-V111 WeakPolarHBondContact O-CG2 3.49Å; I105-L155 HydrophobicContact CB-CD1 4.46Å; I105-L155 HydrophobicContact CG2-CD1 4.03Å; I105-L155 HydrophobicContact CG2-CD2 3.74Å; I105-L155 HydrophobicContact CG2-CG 4.41Å; I105-L160 HydrophobicContact CG2-CD1 3.37Å; I105-L165 HydrophobicContact CD1-CD2 3.86Å; I105-I168 HydrophobicContact CD1-CG2 4.06Å; I105-I201 HydrophobicContact CG1-CD1 3.9Å; I105-V204 HydrophobicContact CD1-CG2 3.61Å; I105-V204 HydrophobicContact CG1-CG2 3.79Å; I105-M226 HydrophobicContact CG1-CE 4.29Å
106	D	97.1	Very high	97.6	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-52.9	-39.7	177	-51	-24.6	0	0	0	110.4	H102 N103 R116 L119	H102-D106 PolarHBondContact O-N 3.23Å; N103-D106 PolarHBondContact ND2-OD2 2.97Å; D106-R116 PolarHBondContact O-NH1 3.22Å; D106-R116 PolarHBondContact O-NH2 3.38Å; D106-L119 HydrophobicContact CB-CD1 4.18Å; D106-L119 WeakPolarHBondContact OD1-CD1 3.34Å
107	N	96.1	Very high	97.7	Very high	91 Å²	91	50.2 Å²	50.2	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-44.9	-43	167.5	-3	-88.9	0	0	0	117.2	N103 I105 R116	N103-N107 VanDerWaalsContact O-CA 3.24Å; N103-N107 WeakPolarHBondContact O-CA 3.47Å; N103-N107 WeakPolarHBondContact O-CB 3.41Å; N103-N107 PolarHBondContact O-N 2.78Å; N103-N107 PolarHBondContact O-ND2 2.7Å; I105-N107 PolarHBondContact O-N 2.79Å; I105-N107 VanDerWaalsContact O-N 3.13Å; N107-R116 PolarHBondContact O-NH1 2.85Å; N107-R116 PolarHBondContact O-NH2 3.17Å; N107-R116 PolarHBondContact OD1-NH1 3.19Å
108	C	97.2	Very high	97.8	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.074	24%	0.244	C	C	.	.	S	Bend	trans	-81	165.7	-153.1	81.1	0	0	0	0	113.4	I104 I105 L110 V111 R116 I168	I104-C108 PolarHBondContact O-N 3.43Å; I105-C108 PolarHBondContact O-N 2.92Å; I105-C108 PolarHBondContact O-SG 2.94Å; C108-L110 PolarHBondContact O-N 2.89Å; C108-V111 PolarHBondContact O-N 2.9Å; C108-R116 PolarHBondContact O-NH2 3.48Å; C108-I168 HydrophobicContact CB-CB 4.31Å; C108-I168 HydrophobicContact CB-CD1 4.37Å; C108-I168 HydrophobicContact CB-CG1 3.95Å; C108-I168 HydrophobicContact CB-CG2 3.55Å
109	K	96.9	Very high	97.8	Very high	160 Å²	160	49.6 Å²	49.6	70%	0.696	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.5	-179.7	-64.2	171.4	-176.5	158.5	0	113.7	E171	K109-E171 WeakPolarHBondContact CE-OE2 3.22Å; K109-E171 IonicContact NZ-OE1 2.59Å; K109-E171 PolarHBondContact NZ-OE1 3.35Å; K109-E171 IonicContact NZ-OE2 2.79Å; K109-E171 PolarHBondContact NZ-OE2 2.82Å
110	L	97.3	Very high	97.7	Very high	69 Å²	69	53.1 Å²	53.1	36%	0.361	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.5	179.3	-55.9	-174.1	0	0	0	113	C108 L160 P161 K164 I168	C108-L110 PolarHBondContact O-N 2.89Å; L110-L160 HydrophobicContact CB-CD2 3.73Å; L110-L160 HydrophobicContact CD1-CD2 4.28Å; L110-P161 VanDerWaalsContact CD1-CD 3.5Å; L110-P161 HydrophobicContact CD1-CG 4.26Å; L110-K164 HydrophobicContact CD1-CB 3.9Å; L110-K164 HydrophobicContact CD1-CG 4.19Å; L110-I168 HydrophobicContact CD1-CD1 3.93Å
111	V	97.9	Very high	97.6	Very high	4 Å²	4	58 Å²	58	2%	0.024	28%	0.282	C	S	.	.	S	Bend	trans	-93.9	118.2	175.9	177.7	0	0	0	0	109.3	I105 C108 C115 R116 L119 Q158 L160	I105-V111 HydrophobicContact CG2-CG2 4.22Å; I105-V111 WeakPolarHBondContact O-CG2 3.49Å; C108-V111 PolarHBondContact O-N 2.9Å; V111-C115 HydrophobicContact CG1-CB 3.84Å; V111-R116 HydrophobicContact CG1-CB 4.45Å; V111-R116 PolarHBondContact O-NH2 3.07Å; V111-R116 VanDerWaalsContact O-NH2 3.12Å; V111-L119 HydrophobicContact CG1-CD1 4.15Å; V111-Q158 HydrophobicContact CG1-CG 4.42Å; V111-Q158 HydrophobicContact CG2-CG 4.28Å; V111-L160 HydrophobicContact CG2-CD2 4.37Å
112	T	98.1	Very high	97.6	Very high	77 Å²	77	59.2 Å²	59.2	47%	0.472	29%	0.288	S	S	.	.			trans	-61.7	151.9	178.6	59.2	0	0	0	0	112	E114 C115 R116 Q158	T112-E114 PolarHBondContact O-N 3.49Å; T112-C115 PolarHBondContact O-N 3.37Å; T112-C115 VanDerWaalsContact O-N 3.09Å; T112-C115 VanDerWaalsContact OG1-CB 3.31Å; T112-C115 WeakPolarHBondContact OG1-CB 3.44Å; T112-C115 PolarHBondContact OG1-N 3Å; T112-R116 PolarHBondContact O-N 3.32Å; T112-Q158 PolarHBondContact OG1-OE1 2.74Å
113	D	97.6	Very high	97.4	Very high	116 Å²	116	60.6 Å²	60.6	62%	0.62	29%	0.294	S	S	*	.	H	α-helix	trans	-59.8	-32.7	177.7	-71	-21.3	0	0	0	113	R116 K117	D113-R116 PolarHBondContact O-N 3.13Å; D113-K117 VanDerWaalsContact O-CG 3.31Å; D113-K117 WeakPolarHBondContact O-CG 3.42Å; D113-K117 PolarHBondContact O-N 3.41Å
114	E	97.9	Very high	97.2	Very high	122 Å²	122	65.5 Å²	65.5	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-65.1	-46.5	174.5	-167.9	-166.6	148.8	0	0	111.3	T112 R116 K117 K118	T112-E114 PolarHBondContact O-N 3.49Å; E114-R116 VanDerWaalsContact C-N 3.34Å; E114-R116 PolarHBondContact O-N 3.11Å; E114-K117 PolarHBondContact O-N 3.24Å; E114-K118 PolarHBondContact O-N 3.49Å; E114-K118 VanDerWaalsContact O-N 3.13Å; E114-K118 VanDerWaalsContact OE1-CE 3.27Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 3.03Å; E114-K118 PolarHBondContact OE1-NZ 2.89Å
115	C	98	Very high	97.1	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.02	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.1	-174.2	0	0	0	0	111.1	V111 T112 K117 K118 L119 Q158	V111-C115 HydrophobicContact CG1-CB 3.84Å; T112-C115 PolarHBondContact O-N 3.37Å; T112-C115 VanDerWaalsContact O-N 3.09Å; T112-C115 VanDerWaalsContact OG1-CB 3.31Å; T112-C115 WeakPolarHBondContact OG1-CB 3.44Å; T112-C115 PolarHBondContact OG1-N 3Å; C115-K117 VanDerWaalsContact C-N 3.31Å; C115-K117 PolarHBondContact O-N 3.33Å; C115-K118 WeakPolarHBondContact O-CB 3.23Å; C115-K118 PolarHBondContact O-N 3.09Å; C115-K118 VanDerWaalsContact O-N 3.09Å; C115-L119 WeakPolarHBondContact O-CG 3.39Å; C115-L119 PolarHBondContact O-N 2.78Å; C115-Q158 HydrophobicContact CB-CG 4.24Å
116	R	97.8	Very high	97	Very high	60 Å²	60	70.5 Å²	70.5	23%	0.226	34%	0.338	C	S	.	.	H	α-helix	trans	-59	-40.8	176.9	-165.3	-175.3	-53.1	-97.6	-11.8	112.4	D106 N107 C108 V111 T112 D113 E114 L119 L120	D106-R116 PolarHBondContact O-NH1 3.22Å; D106-R116 PolarHBondContact O-NH2 3.38Å; N107-R116 PolarHBondContact O-NH1 2.85Å; N107-R116 PolarHBondContact O-NH2 3.17Å; N107-R116 PolarHBondContact OD1-NH1 3.19Å; C108-R116 PolarHBondContact O-NH2 3.48Å; V111-R116 HydrophobicContact CG1-CB 4.45Å; V111-R116 PolarHBondContact O-NH2 3.07Å; V111-R116 VanDerWaalsContact O-NH2 3.12Å; T112-R116 PolarHBondContact O-N 3.32Å; D113-R116 PolarHBondContact O-N 3.13Å; E114-R116 VanDerWaalsContact C-N 3.34Å; E114-R116 PolarHBondContact O-N 3.11Å; R116-L119 PolarHBondContact O-N 2.87Å; R116-L120 WeakPolarHBondContact O-CB 3.41Å; R116-L120 PolarHBondContact O-N 3.36Å
117	K	97.7	Very high	96.7	Very high	142 Å²	142	72.2 Å²	72.2	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-62.2	-43.3	173.5	-74.3	171.3	-176.4	176	0	111.9	D113 E114 C115 L120 Q121	D113-K117 VanDerWaalsContact O-CG 3.31Å; D113-K117 WeakPolarHBondContact O-CG 3.42Å; D113-K117 PolarHBondContact O-N 3.41Å; E114-K117 PolarHBondContact O-N 3.24Å; C115-K117 VanDerWaalsContact C-N 3.31Å; C115-K117 PolarHBondContact O-N 3.33Å; K117-L120 PolarHBondContact O-N 2.93Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.32Å; K117-Q121 PolarHBondContact O-N 2.86Å
118	K	98.3	Very high	96.4	Very high	83 Å²	83	70.6 Å²	70.6	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-43.7	176.2	-67.5	173.8	-173.8	166.6	0	111.5	E114 C115 Q121 L122 L154	E114-K118 PolarHBondContact O-N 3.49Å; E114-K118 VanDerWaalsContact O-N 3.13Å; E114-K118 VanDerWaalsContact OE1-CE 3.27Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 3.03Å; E114-K118 PolarHBondContact OE1-NZ 2.89Å; C115-K118 WeakPolarHBondContact O-CB 3.23Å; C115-K118 PolarHBondContact O-N 3.09Å; C115-K118 VanDerWaalsContact O-N 3.09Å; K118-Q121 PolarHBondContact O-N 3.14Å; K118-L122 WeakPolarHBondContact O-CG 3.24Å; K118-L122 PolarHBondContact O-N 3.1Å; K118-L154 HydrophobicContact CB-CD1 3.77Å; K118-L154 HydrophobicContact CD-CD2 4.11Å
119	L	97.6	Very high	96.3	Very high	7 Å²	7	71.4 Å²	71.4	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-63	-41.7	177	-70.1	163.5	0	0	0	111.7	D106 V111 C115 R116 L122 K123 L154 L155	D106-L119 HydrophobicContact CB-CD1 4.18Å; D106-L119 WeakPolarHBondContact OD1-CD1 3.34Å; V111-L119 HydrophobicContact CG1-CD1 4.15Å; C115-L119 WeakPolarHBondContact O-CG 3.39Å; C115-L119 PolarHBondContact O-N 2.78Å; R116-L119 PolarHBondContact O-N 2.87Å; L119-L122 PolarHBondContact O-N 2.81Å; L119-K123 PolarHBondContact O-N 2.95Å; L119-L154 HydrophobicContact CD2-CB 4.06Å; L119-L154 HydrophobicContact CD2-CD1 3.85Å; L119-L154 HydrophobicContact CG-CD1 4.05Å; L119-L155 HydrophobicContact CD1-CD2 3.96Å; L119-L155 HydrophobicContact CD2-CD2 4.48Å
120	L	95.2	Very high	96	Very high	89 Å²	89	65.6 Å²	65.6	47%	0.466	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-45	174.8	-177.7	61.9	0	0	0	111.8	R116 K117 L122 K123 E124	R116-L120 WeakPolarHBondContact O-CB 3.41Å; R116-L120 PolarHBondContact O-N 3.36Å; K117-L120 PolarHBondContact O-N 2.93Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 2.8Å; L120-K123 WeakPolarHBondContact O-CB 3.25Å; L120-K123 PolarHBondContact O-N 3.07Å; L120-K123 VanDerWaalsContact O-N 3.14Å; L120-E124 HydrophobicContact CD1-CG 4.41Å; L120-E124 WeakPolarHBondContact O-CG 3.47Å; L120-E124 PolarHBondContact O-N 2.81Å
121	Q	97.3	Very high	95.3	Very high	127 Å²	127	63.5 Å²	63.5	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-61	-40	176	-73.3	171.4	-11	0	0	112.4	K117 K118 K125	K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.32Å; K117-Q121 PolarHBondContact O-N 2.86Å; K118-Q121 PolarHBondContact O-N 3.14Å; Q121-K125 PolarHBondContact O-N 3.4Å
122	L	97.6	Very high	94.7	Very high	25 Å²	25	65.7 Å²	65.7	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-49.5	172.4	-68.7	174.6	0	0	0	110.2	K118 L119 L120 E124 K125 Y126 K150 L154	K118-L122 WeakPolarHBondContact O-CG 3.24Å; K118-L122 PolarHBondContact O-N 3.1Å; L119-L122 PolarHBondContact O-N 2.81Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 2.8Å; L122-E124 PolarHBondContact O-N 3.47Å; L122-K125 PolarHBondContact O-N 2.8Å; L122-Y126 HydrophobicContact CB-CD2 4.27Å; L122-Y126 HydrophobicContact CD2-CD2 4.24Å; L122-Y126 HydrophobicContact CD2-CE2 3.69Å; L122-Y126 WeakPolarHBondContact O-CD2 3.34Å; L122-Y126 PolarHBondContact O-N 2.99Å; L122-K150 HydrophobicContact CD1-CB 3.76Å; L122-K150 HydrophobicContact CD2-CB 4.05Å; L122-K150 HydrophobicContact CD2-CD 3.73Å; L122-L154 HydrophobicContact CD1-CD1 3.64Å
123	K	94.5	Very high	93.9	Very high	47 Å²	47	66.4 Å²	66.4	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-49.6	179	179.8	178.6	179.6	173.2	0	111.8	N103 L119 L120 K125 Y126 Y127 W147	N103-K123 PolarHBondContact OD1-NZ 3.4Å; L119-K123 PolarHBondContact O-N 2.95Å; L120-K123 WeakPolarHBondContact O-CB 3.25Å; L120-K123 PolarHBondContact O-N 3.07Å; L120-K123 VanDerWaalsContact O-N 3.14Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 3.39Å; K123-Y126 PolarHBondContact O-N 3.2Å; K123-Y127 WeakPolarHBondContact O-CA 3.27Å; K123-Y127 WeakPolarHBondContact O-CB 3.18Å; K123-Y127 PolarHBondContact O-N 2.92Å; K123-W147 HydrophobicContact CB-CZ2 4.07Å; K123-W147 HydrophobicContact CG-CZ2 4.06Å
124	E	93.4	Very high	93.5	Very high	124 Å²	124	66.7 Å²	66.7	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-57.4	-44.6	179.7	-73	174.5	167.5	0	0	111.9	L120 L122 A128	L120-E124 HydrophobicContact CD1-CG 4.41Å; L120-E124 WeakPolarHBondContact O-CG 3.47Å; L120-E124 PolarHBondContact O-N 2.81Å; L122-E124 PolarHBondContact O-N 3.47Å; E124-A128 WeakPolarHBondContact O-CB 3.39Å
125	K	96.1	Very high	93.1	Very high	109 Å²	109	63.3 Å²	63.3	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-54.5	178.1	179.5	-175.6	175.8	-169.3	0	112.5	Q121 L122 K123	Q121-K125 PolarHBondContact O-N 3.4Å; L122-K125 PolarHBondContact O-N 2.8Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 3.39Å
126	Y	96.4	Very high	92.8	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-83.8	-32.3	-168.1	-71.3	-76.1	0	0	0	113	L122 K123 A128 I129 E130 Y143 E146 W147 K150	L122-Y126 HydrophobicContact CB-CD2 4.27Å; L122-Y126 HydrophobicContact CD2-CD2 4.24Å; L122-Y126 HydrophobicContact CD2-CE2 3.69Å; L122-Y126 WeakPolarHBondContact O-CD2 3.34Å; L122-Y126 PolarHBondContact O-N 2.99Å; K123-Y126 PolarHBondContact O-N 3.2Å; Y126-A128 VanDerWaalsContact C-N 3.29Å; Y126-A128 PolarHBondContact O-N 2.82Å; Y126-I129 HydrophobicContact CD1-CD1 4.36Å; Y126-I129 WeakPolarHBondContact O-CB 3.38Å; Y126-I129 PolarHBondContact O-N 2.8Å; Y126-I129 VanDerWaalsContact O-N 3.11Å; Y126-E130 PolarHBondContact O-N 3.06Å; Y126-Y143 VanDerWaalsContact CD1-O 3.28Å; Y126-Y143 WeakPolarHBondContact CD1-O 3.4Å; Y126-Y143 HydrophobicContact CE1-CD1 4.2Å; Y126-Y143 WeakPolarHBondContact CE1-O 3.24Å; Y126-E146 HydrophobicContact CE1-CB 4.13Å; Y126-E146 HydrophobicContact CE1-CG 4.36Å; Y126-E146 WeakPolarHBondContact CE1-OE2 3.35Å; Y126-E146 WeakPolarHBondContact OH-CG 3.18Å; Y126-E146 PolarHBondContact OH-OE1 3Å; Y126-E146 VanDerWaalsContact OH-OE1 3.08Å; Y126-E146 PolarHBondContact OH-OE2 3.13Å; Y126-W147 VanDerWaalsContact CB-CE3 3.5Å; Y126-W147 HydrophobicContact CD1-CB 3.72Å; Y126-W147 HydrophobicContact CD1-CG 4.34Å; Y126-W147 HydrophobicContact CD2-CB 3.66Å; Y126-W147 AromaticContact CD2-CD1 3.6Å; Y126-W147 HydrophobicContact CD2-CD2 4.38Å; Y126-W147 AromaticContact CD2-CG 3.6Å; Y126-W147 HydrophobicContact CD2-CG 3.6Å; Y126-W147 HydrophobicContact CE1-CB 4.28Å; Y126-W147 HydrophobicContact CE2-CB 4.27Å; Y126-W147 HydrophobicContact CG-CB 3.4Å; Y126-W147 HydrophobicContact CG-CD2 4.04Å; Y126-W147 AromaticContact CG-CG 3.53Å; Y126-W147 HydrophobicContact CG-CG 3.53Å; Y126-K150 HydrophobicContact CE2-CD 4.45Å; Y126-K150 PolarHBondContact OH-NZ 3.08Å
127	Y	91.4	Very high	92.4	Very high	50 Å²	50	66.2 Å²	66.2	20%	0.196	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-44.5	172.3	-177.4	-113.5	0	0	0	109.7	K123 I129 E130 V131 D297	K123-Y127 WeakPolarHBondContact O-CA 3.27Å; K123-Y127 WeakPolarHBondContact O-CB 3.18Å; K123-Y127 PolarHBondContact O-N 2.92Å; Y127-I129 PolarHBondContact O-N 3.41Å; Y127-I129 VanDerWaalsContact O-N 3.16Å; Y127-E130 WeakPolarHBondContact O-CB 3.46Å; Y127-E130 PolarHBondContact O-N 2.98Å; Y127-E130 VanDerWaalsContact O-N 3.15Å; Y127-V131 HydrophobicContact CD2-CG1 4.03Å; Y127-V131 HydrophobicContact CE1-CG1 4.49Å; Y127-V131 HydrophobicContact CE2-CG1 3.66Å; Y127-V131 WeakPolarHBondContact O-CG2 3.34Å; Y127-V131 PolarHBondContact O-N 2.88Å; Y127-D297 PolarHBondContact OH-OD2 3.29Å
128	A	90.7	Very high	92.2	Very high	58 Å²	58	66.2 Å²	66.2	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-55.9	-32.3	176.6	0	0	0	0	0	113.4	E124 Y126 V131 D132	E124-A128 WeakPolarHBondContact O-CB 3.39Å; Y126-A128 VanDerWaalsContact C-N 3.29Å; Y126-A128 PolarHBondContact O-N 2.82Å; A128-V131 WeakPolarHBondContact O-CG2 3.38Å; A128-D132 PolarHBondContact O-N 3.29Å
129	I	93.6	Very high	92	Very high	28 Å²	28	66.9 Å²	66.9	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-78.4	-46.3	176	-63.5	167.5	0	0	0	111.4	Y126 Y127 V131 D132 L135 K140 Y143	Y126-I129 HydrophobicContact CD1-CD1 4.36Å; Y126-I129 WeakPolarHBondContact O-CB 3.38Å; Y126-I129 PolarHBondContact O-N 2.8Å; Y126-I129 VanDerWaalsContact O-N 3.11Å; Y127-I129 PolarHBondContact O-N 3.41Å; Y127-I129 VanDerWaalsContact O-N 3.16Å; I129-V131 PolarHBondContact O-N 3.49Å; I129-D132 WeakPolarHBondContact O-CB 3.31Å; I129-D132 PolarHBondContact O-N 3.38Å; I129-D132 VanDerWaalsContact O-N 3.13Å; I129-L135 HydrophobicContact CG2-CD1 3.85Å; I129-K140 HydrophobicContact CG2-CG 4.26Å; I129-K140 WeakPolarHBondContact O-CD 3.33Å; I129-K140 WeakPolarHBondContact O-CE 3.4Å; I129-Y143 HydrophobicContact CD1-CD1 3.78Å; I129-Y143 HydrophobicContact CD1-CE1 4.16Å; I129-Y143 HydrophobicContact CD1-CG 4.05Å; I129-Y143 HydrophobicContact CG2-CD2 3.85Å; I129-Y143 HydrophobicContact CG2-CG 3.91Å
130	E	90.6	Very high	91.9	Very high	38 Å²	38	67.1 Å²	67.1	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-48.7	-39.3	179.9	178.8	-175.4	173.5	0	0	111.7	Y126 Y127 K140 M144 W147 V244 F245	Y126-E130 PolarHBondContact O-N 3.06Å; Y127-E130 WeakPolarHBondContact O-CB 3.46Å; Y127-E130 PolarHBondContact O-N 2.98Å; Y127-E130 VanDerWaalsContact O-N 3.15Å; E130-K140 WeakPolarHBondContact O-CD 3.46Å; E130-K140 WeakPolarHBondContact O-CE 3.18Å; E130-K140 PolarHBondContact O-NZ 2.84Å; E130-M144 HydrophobicContact CB-CE 3.81Å; E130-M144 HydrophobicContact CB-SD 3.85Å; E130-M144 HydrophobicContact CG-SD 3.98Å; E130-W147 VanDerWaalsContact OE2-CZ3 3.29Å; E130-W147 WeakPolarHBondContact OE2-CZ3 3.33Å; E130-V244 HydrophobicContact CG-CG1 4.11Å; E130-F245 HydrophobicContact CG-CE2 4.33Å; E130-F245 HydrophobicContact CG-CZ 4.09Å
131	V	84.3	Confident	91.9	Very high	24 Å²	24	66.5 Å²	66.5	15%	0.145	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	3.7	-169.9	-61.8	0	0	0	0	114.4	Y127 A128 I129 P133 R298	Y127-V131 HydrophobicContact CD2-CG1 4.03Å; Y127-V131 HydrophobicContact CE1-CG1 4.49Å; Y127-V131 HydrophobicContact CE2-CG1 3.66Å; Y127-V131 WeakPolarHBondContact O-CG2 3.34Å; Y127-V131 PolarHBondContact O-N 2.88Å; A128-V131 WeakPolarHBondContact O-CG2 3.38Å; I129-V131 PolarHBondContact O-N 3.49Å; V131-P133 WeakPolarHBondContact O-CD 3.23Å; V131-R298 PolarHBondContact O-NH1 2.83Å; V131-R298 VanDerWaalsContact O-NH1 3.1Å
132	D	85.3	Confident	91.9	Very high	50 Å²	50	64 Å²	64	27%	0.267	34%	0.339	S	S	.	.			trans	-62.7	120.1	177.3	-171.7	-39.7	0	0	0	109.5	A128 I129 V134 L135 K140	A128-D132 PolarHBondContact O-N 3.29Å; I129-D132 WeakPolarHBondContact O-CB 3.31Å; I129-D132 PolarHBondContact O-N 3.38Å; I129-D132 VanDerWaalsContact O-N 3.13Å; D132-V134 PolarHBondContact O-N 2.97Å; D132-V134 WeakPolarHBondContact OD1-CA 3.42Å; D132-V134 VanDerWaalsContact OD1-CB 3.24Å; D132-V134 WeakPolarHBondContact OD1-CB 3.42Å; D132-V134 PolarHBondContact OD1-N 2.88Å; D132-L135 HydrophobicContact CB-CB 4.31Å; D132-L135 HydrophobicContact CB-CD1 4.06Å; D132-L135 HydrophobicContact CB-CG 4.19Å; D132-L135 PolarHBondContact OD1-N 2.89Å; D132-K140 WeakPolarHBondContact O-CE 3.26Å; D132-K140 PolarHBondContact O-NZ 2.84Å
133	P	81.7	Confident	92	Very high	92 Å²	92	67.5 Å²	67.5	60%	0.597	35%	0.351	S	S	*	.	S	Bend	trans	-72.2	-16.1	-178.1	30.2	-35.2	0	0	0	113.5	V131	V131-P133 WeakPolarHBondContact O-CD 3.23Å
134	V	87.9	Confident	92.1	Very high	123 Å²	123	65.2 Å²	65.2	75%	0.745	34%	0.341	S	S	*	.	S	Bend	trans	-82.5	-40.7	-178.4	-176.6	0	0	0	0	111.2	D132	D132-V134 PolarHBondContact O-N 2.97Å; D132-V134 WeakPolarHBondContact OD1-CA 3.42Å; D132-V134 VanDerWaalsContact OD1-CB 3.24Å; D132-V134 WeakPolarHBondContact OD1-CB 3.42Å; D132-V134 PolarHBondContact OD1-N 2.88Å
135	L	90.4	Very high	92.3	Very high	50 Å²	50	61.8 Å²	61.8	26%	0.262	33%	0.329	S	S	.	.	S	Bend	trans	-73.5	137.6	-178.1	-64.2	175.5	0	0	0	111.8	I129 D132 E139 K140	I129-L135 HydrophobicContact CG2-CD1 3.85Å; D132-L135 HydrophobicContact CB-CB 4.31Å; D132-L135 HydrophobicContact CB-CD1 4.06Å; D132-L135 HydrophobicContact CB-CG 4.19Å; D132-L135 PolarHBondContact OD1-N 2.89Å; L135-E139 HydrophobicContact CB-CB 4.49Å; L135-E139 HydrophobicContact CD2-CB 4.31Å; L135-K140 HydrophobicContact CB-CD 4.32Å; L135-K140 HydrophobicContact CB-CG 3.82Å; L135-K140 HydrophobicContact CD1-CG 4.36Å; L135-K140 WeakPolarHBondContact O-CE 3.46Å
136	T	91	Very high	92.4	Very high	65 Å²	65	60 Å²	60	40%	0.399	32%	0.322	S	S	.	.			trans	-70.9	165.1	171.6	62.3	0	0	0	0	111.6	E138 E139 K140	T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 WeakPolarHBondContact CB-OE2 3.18Å; T136-E138 PolarHBondContact O-N 3.19Å; T136-E139 WeakPolarHBondContact CB-OE2 3.47Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.35Å; T136-E139 PolarHBondContact N-OE2 2.96Å; T136-E139 PolarHBondContact O-N 2.86Å; T136-E139 WeakPolarHBondContact OG1-CB 3.29Å; T136-E139 VanDerWaalsContact OG1-CD 3.23Å; T136-E139 WeakPolarHBondContact OG1-CG 3.12Å; T136-E139 PolarHBondContact OG1-N 3.41Å; T136-E139 PolarHBondContact OG1-OE2 3.37Å; T136-K140 VanDerWaalsContact O-CG 3.25Å; T136-K140 WeakPolarHBondContact O-CG 3.46Å; T136-K140 PolarHBondContact O-N 3.02Å; T136-K140 VanDerWaalsContact O-N 3.09Å
137	V	89.7	Confident	92.5	Very high	59 Å²	59	61.6 Å²	61.6	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-38.3	177.7	173.7	0	0	0	0	110.3	K140 Y141 F245	V137-K140 PolarHBondContact O-N 3.43Å; V137-Y141 PolarHBondContact O-N 2.94Å; V137-F245 HydrophobicContact CG1-CB 3.79Å; V137-F245 HydrophobicContact CG1-CD1 3.84Å; V137-F245 HydrophobicContact CG1-CG 3.81Å; V137-F245 HydrophobicContact CG2-CD1 4.43Å
138	E	92.4	Very high	92.9	Very high	143 Å²	143	60.5 Å²	60.5	67%	0.668	32%	0.324	S	S	*	.	H	α-helix	trans	-64	-42.1	179.2	-63.2	69.8	-154.6	0	0	111.4	T136 Y141 P142	T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 WeakPolarHBondContact CB-OE2 3.18Å; T136-E138 PolarHBondContact O-N 3.19Å; E138-Y141 WeakPolarHBondContact O-CB 3.36Å; E138-Y141 PolarHBondContact O-N 2.91Å; E138-P142 WeakPolarHBondContact O-CD 3.22Å
139	E	95.6	Very high	93.2	Very high	96 Å²	96	61.9 Å²	61.9	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-68.2	-36.2	175.7	-72.5	165	138.3	0	0	112.3	L135 T136 P142 Y143	L135-E139 HydrophobicContact CB-CB 4.49Å; L135-E139 HydrophobicContact CD2-CB 4.31Å; T136-E139 WeakPolarHBondContact CB-OE2 3.47Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.35Å; T136-E139 PolarHBondContact N-OE2 2.96Å; T136-E139 PolarHBondContact O-N 2.86Å; T136-E139 WeakPolarHBondContact OG1-CB 3.29Å; T136-E139 VanDerWaalsContact OG1-CD 3.23Å; T136-E139 WeakPolarHBondContact OG1-CG 3.12Å; T136-E139 PolarHBondContact OG1-N 3.41Å; T136-E139 PolarHBondContact OG1-OE2 3.37Å; E139-P142 WeakPolarHBondContact O-CD 3.18Å; E139-Y143 VanDerWaalsContact O-CD2 3.22Å; E139-Y143 WeakPolarHBondContact O-CD2 3.43Å; E139-Y143 WeakPolarHBondContact O-CE2 3.37Å
140	K	95.1	Very high	93.5	Very high	13 Å²	13	64.6 Å²	64.6	6%	0.057	34%	0.337	C	S	.	.	H	α-helix	trans	-74.1	-26.1	178.2	-68.7	172.1	-178.3	-175	0	113.4	I129 E130 D132 L135 T136 V137 Y143 M144 F245	I129-K140 HydrophobicContact CG2-CG 4.26Å; I129-K140 WeakPolarHBondContact O-CD 3.33Å; I129-K140 WeakPolarHBondContact O-CE 3.4Å; E130-K140 WeakPolarHBondContact O-CD 3.46Å; E130-K140 WeakPolarHBondContact O-CE 3.18Å; E130-K140 PolarHBondContact O-NZ 2.84Å; D132-K140 WeakPolarHBondContact O-CE 3.26Å; D132-K140 PolarHBondContact O-NZ 2.84Å; L135-K140 HydrophobicContact CB-CD 4.32Å; L135-K140 HydrophobicContact CB-CG 3.82Å; L135-K140 HydrophobicContact CD1-CG 4.36Å; L135-K140 WeakPolarHBondContact O-CE 3.46Å; T136-K140 VanDerWaalsContact O-CG 3.25Å; T136-K140 WeakPolarHBondContact O-CG 3.46Å; T136-K140 PolarHBondContact O-N 3.02Å; T136-K140 VanDerWaalsContact O-N 3.09Å; V137-K140 PolarHBondContact O-N 3.43Å; K140-Y143 WeakPolarHBondContact O-CB 3.37Å; K140-Y143 PolarHBondContact O-N 3.33Å; K140-Y143 VanDerWaalsContact O-N 3.12Å; K140-M144 PolarHBondContact O-N 3.32Å; K140-M144 VanDerWaalsContact O-N 3.08Å; K140-F245 HydrophobicContact CB-CD2 3.97Å; K140-F245 HydrophobicContact CB-CE2 3.57Å; K140-F245 HydrophobicContact CB-CZ 4.41Å; K140-F245 HydrophobicContact CD-CE2 3.82Å; K140-F245 HydrophobicContact CD-CZ 3.84Å; K140-F245 HydrophobicContact CG-CE2 4.34Å
141	Y	95.3	Very high	93.8	Very high	75 Å²	75	63.1 Å²	63.1	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-50.3	-56.1	-175.2	-165	-74.8	0	0	0	113.9	V137 E138 Y143 M144 V145 H243 F245 N246	V137-Y141 PolarHBondContact O-N 2.94Å; E138-Y141 WeakPolarHBondContact O-CB 3.36Å; E138-Y141 PolarHBondContact O-N 2.91Å; Y141-Y143 PolarHBondContact O-N 2.87Å; Y141-M144 PolarHBondContact O-N 2.91Å; Y141-M144 VanDerWaalsContact O-N 3.1Å; Y141-V145 HydrophobicContact CD1-CG2 4.03Å; Y141-V145 HydrophobicContact CE1-CG2 3.77Å; Y141-V145 PolarHBondContact O-N 2.89Å; Y141-V145 VanDerWaalsContact O-N 3.14Å; Y141-H243 AromaticContact CD2-CE1 3.62Å; Y141-H243 AromaticContact CE1-NE2 3.57Å; Y141-H243 AromaticContact CE2-CE1 3.48Å; Y141-H243 VanDerWaalsContact CE2-CE1 3.48Å; Y141-H243 WeakPolarHBondContact CE2-CE1 3.3Å; Y141-H243 AromaticContact CE2-NE2 3.58Å; Y141-H243 AromaticContact CG-CE1 3.97Å; Y141-H243 AromaticContact CZ-CE1 3.7Å; Y141-H243 AromaticContact CZ-NE2 3.29Å; Y141-H243 VanDerWaalsContact CZ-NE2 3.29Å; Y141-F245 HydrophobicContact CD2-CB 4.33Å; Y141-N246 HydrophobicContact CE2-CB 3.61Å; Y141-N246 VanDerWaalsContact OH-CB 3.31Å; Y141-N246 WeakPolarHBondContact OH-CB 3.33Å
142	P	97.8	Very high	94.5	Very high	76 Å²	76	62.7 Å²	62.7	49%	0.494	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-31	-179.5	25.2	-36	0	0	0	113	E138 E139 V145 E146	E138-P142 WeakPolarHBondContact O-CD 3.22Å; E139-P142 WeakPolarHBondContact O-CD 3.18Å; P142-V145 PolarHBondContact O-N 2.83Å; P142-E146 WeakPolarHBondContact O-CB 3.37Å; P142-E146 PolarHBondContact O-N 3.48Å
143	Y	97.9	Very high	95.1	Very high	97 Å²	97	61.7 Å²	61.7	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-68.9	-36.2	176.3	-66.3	-74.5	0	0	0	112.2	Y126 I129 E139 K140 Y141 E146 W147	Y126-Y143 VanDerWaalsContact CD1-O 3.28Å; Y126-Y143 WeakPolarHBondContact CD1-O 3.4Å; Y126-Y143 HydrophobicContact CE1-CD1 4.2Å; Y126-Y143 WeakPolarHBondContact CE1-O 3.24Å; I129-Y143 HydrophobicContact CD1-CD1 3.78Å; I129-Y143 HydrophobicContact CD1-CE1 4.16Å; I129-Y143 HydrophobicContact CD1-CG 4.05Å; I129-Y143 HydrophobicContact CG2-CD2 3.85Å; I129-Y143 HydrophobicContact CG2-CG 3.91Å; E139-Y143 VanDerWaalsContact O-CD2 3.22Å; E139-Y143 WeakPolarHBondContact O-CD2 3.43Å; E139-Y143 WeakPolarHBondContact O-CE2 3.37Å; K140-Y143 WeakPolarHBondContact O-CB 3.37Å; K140-Y143 PolarHBondContact O-N 3.33Å; K140-Y143 VanDerWaalsContact O-N 3.12Å; Y141-Y143 PolarHBondContact O-N 2.87Å; Y143-E146 PolarHBondContact O-N 2.76Å; Y143-W147 WeakPolarHBondContact O-CB 3.07Å; Y143-W147 PolarHBondContact O-N 3.22Å
144	M	97.8	Very high	95.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-42.3	174.9	-65.2	-57.1	96.5	0	0	111.1	E130 K140 Y141 E146 W147 Y148 H243 V244 F245	E130-M144 HydrophobicContact CB-CE 3.81Å; E130-M144 HydrophobicContact CB-SD 3.85Å; E130-M144 HydrophobicContact CG-SD 3.98Å; K140-M144 PolarHBondContact O-N 3.32Å; K140-M144 VanDerWaalsContact O-N 3.08Å; Y141-M144 PolarHBondContact O-N 2.91Å; Y141-M144 VanDerWaalsContact O-N 3.1Å; M144-E146 VanDerWaalsContact C-N 3.31Å; M144-E146 PolarHBondContact O-N 3.39Å; M144-W147 HydrophobicContact CE-CE3 3.94Å; M144-W147 PolarHBondContact O-N 2.97Å; M144-W147 HydrophobicContact SD-CE3 3.88Å; M144-W147 HydrophobicContact SD-CZ3 4.26Å; M144-Y148 VanDerWaalsContact O-CD2 3.23Å; M144-Y148 WeakPolarHBondContact O-CD2 3.1Å; M144-Y148 PolarHBondContact O-N 3.33Å; M144-H243 HydrophobicContact CB-CB 4.19Å; M144-H243 WeakPolarHBondContact CB-ND1 3.37Å; M144-V244 HydrophobicContact CG-CG1 3.99Å; M144-V244 HydrophobicContact SD-CG1 3.94Å; M144-F245 HydrophobicContact CG-CD2 3.55Å; M144-F245 HydrophobicContact CG-CE2 3.66Å; M144-F245 HydrophobicContact SD-CE2 4.25Å
145	V	97.8	Very high	96.4	Very high	52 Å²	52	52.5 Å²	52.5	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-46.7	173.2	177.1	0	0	0	0	110.8	Y141 P142 W147 T149 L241	Y141-V145 HydrophobicContact CD1-CG2 4.03Å; Y141-V145 HydrophobicContact CE1-CG2 3.77Å; Y141-V145 PolarHBondContact O-N 2.89Å; Y141-V145 VanDerWaalsContact O-N 3.14Å; P142-V145 PolarHBondContact O-N 2.83Å; V145-W147 PolarHBondContact O-N 2.95Å; V145-T149 VanDerWaalsContact O-CB 3.25Å; V145-T149 WeakPolarHBondContact O-CB 3.46Å; V145-T149 PolarHBondContact O-N 3.02Å; V145-T149 PolarHBondContact O-OG1 2.86Å; V145-L241 HydrophobicContact CG1-CD2 4.43Å
146	E	98.4	Very high	96.8	Very high	70 Å²	70	52.1 Å²	52.1	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-43.4	179	-165.8	-171.2	-176.5	0	0	112.1	Y126 P142 Y143 M144 K150	Y126-E146 HydrophobicContact CE1-CB 4.13Å; Y126-E146 HydrophobicContact CE1-CG 4.36Å; Y126-E146 WeakPolarHBondContact CE1-OE2 3.35Å; Y126-E146 WeakPolarHBondContact OH-CG 3.18Å; Y126-E146 PolarHBondContact OH-OE1 3Å; Y126-E146 VanDerWaalsContact OH-OE1 3.08Å; Y126-E146 PolarHBondContact OH-OE2 3.13Å; P142-E146 WeakPolarHBondContact O-CB 3.37Å; P142-E146 PolarHBondContact O-N 3.48Å; Y143-E146 PolarHBondContact O-N 2.76Å; M144-E146 VanDerWaalsContact C-N 3.31Å; M144-E146 PolarHBondContact O-N 3.39Å; E146-K150 HydrophobicContact CG-CD 4.18Å; E146-K150 WeakPolarHBondContact O-CB 3.46Å; E146-K150 VanDerWaalsContact O-CG 3.31Å; E146-K150 WeakPolarHBondContact O-CG 3.43Å; E146-K150 PolarHBondContact O-N 3.46Å; E146-K150 VanDerWaalsContact OE1-CE 3.22Å; E146-K150 WeakPolarHBondContact OE1-CE 3.28Å; E146-K150 IonicContact OE1-NZ 3.91Å; E146-K150 PolarHBondContact OE1-NZ 2.92Å
147	W	98.4	Very high	97.1	Very high	34 Å²	34	55.6 Å²	55.6	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-53.5	179.1	-175.2	12.7	0	0	0	111.9	K123 Y126 E130 Y143 M144 V145 T149 K150 S151	K123-W147 HydrophobicContact CB-CZ2 4.07Å; K123-W147 HydrophobicContact CG-CZ2 4.06Å; Y126-W147 VanDerWaalsContact CB-CE3 3.5Å; Y126-W147 HydrophobicContact CD1-CB 3.72Å; Y126-W147 HydrophobicContact CD1-CG 4.34Å; Y126-W147 HydrophobicContact CD2-CB 3.66Å; Y126-W147 AromaticContact CD2-CD1 3.6Å; Y126-W147 HydrophobicContact CD2-CD2 4.38Å; Y126-W147 AromaticContact CD2-CG 3.6Å; Y126-W147 HydrophobicContact CD2-CG 3.6Å; Y126-W147 HydrophobicContact CE1-CB 4.28Å; Y126-W147 HydrophobicContact CE2-CB 4.27Å; Y126-W147 HydrophobicContact CG-CB 3.4Å; Y126-W147 HydrophobicContact CG-CD2 4.04Å; Y126-W147 AromaticContact CG-CG 3.53Å; Y126-W147 HydrophobicContact CG-CG 3.53Å; E130-W147 VanDerWaalsContact OE2-CZ3 3.29Å; E130-W147 WeakPolarHBondContact OE2-CZ3 3.33Å; Y143-W147 WeakPolarHBondContact O-CB 3.07Å; Y143-W147 PolarHBondContact O-N 3.22Å; M144-W147 HydrophobicContact CE-CE3 3.94Å; M144-W147 PolarHBondContact O-N 2.97Å; M144-W147 HydrophobicContact SD-CE3 3.88Å; M144-W147 HydrophobicContact SD-CZ3 4.26Å; V145-W147 PolarHBondContact O-N 2.95Å; W147-T149 PolarHBondContact O-N 3.2Å; W147-K150 PolarHBondContact O-N 3.42Å; W147-S151 VanDerWaalsContact O-CB 3.31Å; W147-S151 WeakPolarHBondContact O-CB 3.06Å; W147-S151 PolarHBondContact O-N 2.94Å
148	Y	98.4	Very high	97.5	Very high	28 Å²	28	54.7 Å²	54.7	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-43.1	-177.4	-83.4	-104.2	0	0	0	110.9	H102 M144 K150 S151 H152 A199 L241 H243	H102-Y148 AromaticContact CE1-CE1 3.74Å; H102-Y148 AromaticContact NE2-CE1 3.94Å; M144-Y148 VanDerWaalsContact O-CD2 3.23Å; M144-Y148 WeakPolarHBondContact O-CD2 3.1Å; M144-Y148 PolarHBondContact O-N 3.33Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-K150 PolarHBondContact O-N 3.39Å; Y148-S151 PolarHBondContact O-N 2.99Å; Y148-H152 VanDerWaalsContact O-CB 3.25Å; Y148-H152 WeakPolarHBondContact O-CB 3.41Å; Y148-H152 PolarHBondContact O-N 2.82Å; Y148-A199 VanDerWaalsContact CE1-O 3.24Å; Y148-A199 WeakPolarHBondContact CE1-O 3.46Å; Y148-L241 HydrophobicContact CD1-CD1 3.83Å; Y148-L241 HydrophobicContact CG-CD1 4.02Å; Y148-L241 HydrophobicContact CG-CD2 4.48Å; Y148-H243 HydrophobicContact CD2-CB 3.96Å; Y148-H243 HydrophobicContact CE2-CB 3.86Å; Y148-H243 HydrophobicContact CG-CB 4.36Å
149	T	98.2	Very high	97.7	Very high	87 Å²	87	50.4 Å²	50.4	53%	0.534	26%	0.263	S	S	.	.	H	α-helix	trans	-57.8	-46	176.4	-57.8	0	0	0	0	111.6	V145 W147 G153	V145-T149 VanDerWaalsContact O-CB 3.25Å; V145-T149 WeakPolarHBondContact O-CB 3.46Å; V145-T149 PolarHBondContact O-N 3.02Å; V145-T149 PolarHBondContact O-OG1 2.86Å; W147-T149 PolarHBondContact O-N 3.2Å; T149-G153 PolarHBondContact O-N 3.37Å
150	K	98.5	Very high	97.8	Very high	84 Å²	84	46 Å²	46	37%	0.365	24%	0.242	S	C	.	.	H	α-helix	trans	-67.9	-44.5	178.2	-73.4	177.5	-178.5	175.4	0	112.3	L122 Y126 E146 W147 Y148 G153 L154	L122-K150 HydrophobicContact CD1-CB 3.76Å; L122-K150 HydrophobicContact CD2-CB 4.05Å; L122-K150 HydrophobicContact CD2-CD 3.73Å; Y126-K150 HydrophobicContact CE2-CD 4.45Å; Y126-K150 PolarHBondContact OH-NZ 3.08Å; E146-K150 HydrophobicContact CG-CD 4.18Å; E146-K150 WeakPolarHBondContact O-CB 3.46Å; E146-K150 VanDerWaalsContact O-CG 3.31Å; E146-K150 WeakPolarHBondContact O-CG 3.43Å; E146-K150 PolarHBondContact O-N 3.46Å; E146-K150 VanDerWaalsContact OE1-CE 3.22Å; E146-K150 WeakPolarHBondContact OE1-CE 3.28Å; E146-K150 IonicContact OE1-NZ 3.91Å; E146-K150 PolarHBondContact OE1-NZ 2.92Å; W147-K150 PolarHBondContact O-N 3.42Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-K150 PolarHBondContact O-N 3.39Å; K150-G153 PolarHBondContact O-N 3.1Å; K150-L154 WeakPolarHBondContact O-CG 3.32Å; K150-L154 PolarHBondContact O-N 3.32Å
151	S	98.1	Very high	97.9	Very high	8 Å²	8	47.4 Å²	47.4	6%	0.056	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-53.2	179.4	-177.4	0	0	0	0	110.6	W147 Y148 G153 L154 L155	W147-S151 VanDerWaalsContact O-CB 3.31Å; W147-S151 WeakPolarHBondContact O-CB 3.06Å; W147-S151 PolarHBondContact O-N 2.94Å; Y148-S151 PolarHBondContact O-N 2.99Å; S151-G153 VanDerWaalsContact C-N 3.33Å; S151-G153 PolarHBondContact O-N 3.08Å; S151-L154 WeakPolarHBondContact O-CB 3.32Å; S151-L154 PolarHBondContact O-N 3.2Å; S151-L154 VanDerWaalsContact O-N 3.13Å; S151-L155 WeakPolarHBondContact O-CG 3.41Å; S151-L155 PolarHBondContact O-N 2.79Å
152	H	98.5	Very high	98.1	Very high	15 Å²	15	49 Å²	49	7%	0.069	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-41.5	176.6	-68.8	171	0	0	0	112.4	H102 Y148 L154 L155 V156 F237	H102-H152 AromaticContact CD2-NE2 3.97Å; H102-H152 AromaticContact CE1-NE2 3.95Å; H102-H152 AromaticContact NE2-CD2 3.6Å; H102-H152 AromaticContact NE2-NE2 3.06Å; H102-H152 PolarHBondContact NE2-NE2 3.35Å; Y148-H152 VanDerWaalsContact O-CB 3.25Å; Y148-H152 WeakPolarHBondContact O-CB 3.41Å; Y148-H152 PolarHBondContact O-N 2.82Å; H152-L154 VanDerWaalsContact C-N 3.32Å; H152-L154 PolarHBondContact O-N 3.17Å; H152-L155 PolarHBondContact O-N 3.32Å; H152-L155 VanDerWaalsContact O-N 3.13Å; H152-V156 WeakPolarHBondContact O-CG2 3.26Å; H152-V156 PolarHBondContact O-N 3.27Å; H152-F237 HydrophobicContact CB-CD2 3.74Å; H152-F237 HydrophobicContact CB-CE2 3.51Å; H152-F237 HydrophobicContact CB-CZ 4.36Å; H152-F237 AromaticContact CD2-CE2 3.56Å; H152-F237 AromaticContact CD2-CZ 3.49Å; H152-F237 VanDerWaalsContact CD2-CZ 3.49Å; H152-F237 WeakPolarHBondContact CD2-CZ 3.25Å; H152-F237 AromaticContact CG-CD2 3.66Å; H152-F237 AromaticContact CG-CE2 3.42Å; H152-F237 VanDerWaalsContact CG-CE2 3.42Å; H152-F237 AromaticContact CG-CZ 3.86Å; H152-F237 AromaticContact ND1-CD2 3.71Å; H152-F237 AromaticContact ND1-CE2 3.92Å; H152-F237 AromaticContact ND1-CG 3.95Å; H152-F237 AromaticContact NE2-CE1 3.79Å; H152-F237 AromaticContact NE2-CZ 3.72Å
153	G	98.4	Very high	98.1	Very high	28 Å²	28	49.6 Å²	49.6	29%	0.289	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-39.4	175.5	0	0	0	0	0	113.3	T149 K150 S151 V156 Q157	T149-G153 PolarHBondContact O-N 3.37Å; K150-G153 PolarHBondContact O-N 3.1Å; S151-G153 VanDerWaalsContact C-N 3.33Å; S151-G153 PolarHBondContact O-N 3.08Å; G153-V156 PolarHBondContact O-N 3.16Å; G153-Q157 WeakPolarHBondContact O-CG 3.43Å; G153-Q157 PolarHBondContact O-N 3.34Å
154	L	98.4	Very high	98.1	Very high	22 Å²	22	48.7 Å²	48.7	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-39.6	173.5	-71.4	174.2	0	0	0	111.8	K118 L119 L122 K150 S151 H152 Q157 Q158	K118-L154 HydrophobicContact CB-CD1 3.77Å; K118-L154 HydrophobicContact CD-CD2 4.11Å; L119-L154 HydrophobicContact CD2-CB 4.06Å; L119-L154 HydrophobicContact CD2-CD1 3.85Å; L119-L154 HydrophobicContact CG-CD1 4.05Å; L122-L154 HydrophobicContact CD1-CD1 3.64Å; K150-L154 WeakPolarHBondContact O-CG 3.32Å; K150-L154 PolarHBondContact O-N 3.32Å; S151-L154 WeakPolarHBondContact O-CB 3.32Å; S151-L154 PolarHBondContact O-N 3.2Å; S151-L154 VanDerWaalsContact O-N 3.13Å; H152-L154 VanDerWaalsContact C-N 3.32Å; H152-L154 PolarHBondContact O-N 3.17Å; L154-Q157 WeakPolarHBondContact O-CB 3.33Å; L154-Q157 PolarHBondContact O-N 3.42Å; L154-Q158 PolarHBondContact O-N 3Å
155	L	98	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-40.7	176.8	-61.4	-173.8	0	0	0	112.3	I105 L119 S151 H152 Q157 Q158 L160 I201 L234	I105-L155 HydrophobicContact CB-CD1 4.46Å; I105-L155 HydrophobicContact CG2-CD1 4.03Å; I105-L155 HydrophobicContact CG2-CD2 3.74Å; I105-L155 HydrophobicContact CG2-CG 4.41Å; L119-L155 HydrophobicContact CD1-CD2 3.96Å; L119-L155 HydrophobicContact CD2-CD2 4.48Å; S151-L155 WeakPolarHBondContact O-CG 3.41Å; S151-L155 PolarHBondContact O-N 2.79Å; H152-L155 PolarHBondContact O-N 3.32Å; H152-L155 VanDerWaalsContact O-N 3.13Å; L155-Q157 VanDerWaalsContact C-N 3.27Å; L155-Q157 PolarHBondContact O-N 3.46Å; L155-Q158 PolarHBondContact O-N 3.29Å; L155-Q158 VanDerWaalsContact O-N 3.08Å; L155-L160 HydrophobicContact CB-CD1 4.22Å; L155-I201 HydrophobicContact CD1-CD1 4.08Å; L155-L234 HydrophobicContact CB-CD2 4.13Å
156	V	98.3	Very high	98.2	Very high	43 Å²	43	53.3 Å²	53.3	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-41.6	173.8	174.3	0	0	0	0	110.7	H152 G153 Q158 A159 L234	H152-V156 WeakPolarHBondContact O-CG2 3.26Å; H152-V156 PolarHBondContact O-N 3.27Å; G153-V156 PolarHBondContact O-N 3.16Å; V156-Q158 PolarHBondContact O-N 3.21Å; V156-Q158 VanDerWaalsContact O-N 3.17Å; V156-A159 PolarHBondContact O-N 2.85Å; V156-L234 HydrophobicContact CG2-CD2 4.27Å; V156-L234 HydrophobicContact CG2-CG 4.13Å
157	Q	98	Very high	98.2	Very high	137 Å²	137	54.5 Å²	54.5	64%	0.64	29%	0.292	S	S	*	.	H	α-helix	trans	-64	-19.4	178.2	-69	168.8	21.6	0	0	113.8	G153 L154 L155 A159	G153-Q157 WeakPolarHBondContact O-CG 3.43Å; G153-Q157 PolarHBondContact O-N 3.34Å; L154-Q157 WeakPolarHBondContact O-CB 3.33Å; L154-Q157 PolarHBondContact O-N 3.42Å; L155-Q157 VanDerWaalsContact C-N 3.27Å; L155-Q157 PolarHBondContact O-N 3.46Å; Q157-A159 VanDerWaalsContact C-N 3.26Å
158	Q	98.2	Very high	98.2	Very high	40 Å²	40	53.5 Å²	53.5	19%	0.187	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.4	174.9	-58.1	-57.8	-87.2	0	0	113.2	V111 T112 C115 L154 L155 V156 L160	V111-Q158 HydrophobicContact CG1-CG 4.42Å; V111-Q158 HydrophobicContact CG2-CG 4.28Å; T112-Q158 PolarHBondContact OG1-OE1 2.74Å; C115-Q158 HydrophobicContact CB-CG 4.24Å; L154-Q158 PolarHBondContact O-N 3Å; L155-Q158 PolarHBondContact O-N 3.29Å; L155-Q158 VanDerWaalsContact O-N 3.08Å; V156-Q158 PolarHBondContact O-N 3.21Å; V156-Q158 VanDerWaalsContact O-N 3.17Å; Q158-L160 VanDerWaalsContact C-N 3.33Å; Q158-L160 HydrophobicContact CB-CD2 4.12Å; Q158-L160 HydrophobicContact CB-CG 4.2Å; Q158-L160 PolarHBondContact O-N 3.18Å
159	A	96.8	Very high	98.2	Very high	54 Å²	54	52.4 Å²	52.4	45%	0.446	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.3	176.1	0	0	0	0	0	113.2	V156 Q157 P161 V233	V156-A159 PolarHBondContact O-N 2.85Å; Q157-A159 VanDerWaalsContact C-N 3.26Å; A159-P161 WeakPolarHBondContact O-CD 3.2Å; A159-V233 HydrophobicContact CB-CG1 3.75Å
160	L	97.4	Very high	98.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	29%	0.285	C	S	.	.			trans	-65.5	123.2	-173.8	-62.5	173.3	0	0	0	111.7	I105 L110 V111 L155 Q158 L234	I105-L160 HydrophobicContact CG2-CD1 3.37Å; L110-L160 HydrophobicContact CB-CD2 3.73Å; L110-L160 HydrophobicContact CD1-CD2 4.28Å; V111-L160 HydrophobicContact CG2-CD2 4.37Å; L155-L160 HydrophobicContact CB-CD1 4.22Å; Q158-L160 VanDerWaalsContact C-N 3.33Å; Q158-L160 HydrophobicContact CB-CD2 4.12Å; Q158-L160 HydrophobicContact CB-CG 4.2Å; Q158-L160 PolarHBondContact O-N 3.18Å; L160-L234 HydrophobicContact CB-CB 4.07Å; L160-L234 HydrophobicContact CB-CD2 4.28Å; L160-L234 HydrophobicContact CD1-CD2 3.96Å; L160-L234 HydrophobicContact CG-CD2 4.46Å; L160-L234 WeakPolarHBondContact O-CB 3.48Å; L160-L234 PolarHBondContact O-N 3.48Å
161	P	98.1	Very high	98.2	Very high	43 Å²	43	52.9 Å²	52.9	28%	0.279	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-80.9	132.7	178.2	-3.2	19.4	0	0	0	111.3	L110 A159 A163 K164 G232	L110-P161 VanDerWaalsContact CD1-CD 3.5Å; L110-P161 HydrophobicContact CD1-CG 4.26Å; A159-P161 WeakPolarHBondContact O-CD 3.2Å; P161-A163 PolarHBondContact O-N 3.44Å; P161-K164 HydrophobicContact CB-CB 4.5Å; P161-K164 HydrophobicContact CB-CG 4.18Å; P161-K164 HydrophobicContact CG-CB 4.4Å; P161-K164 HydrophobicContact CG-CG 3.96Å; P161-K164 PolarHBondContact O-N 3.37Å; P161-G232 WeakPolarHBondContact CA-O 3.49Å
162	K	98.3	Very high	98.2	Very high	109 Å²	109	53.9 Å²	53.9	47%	0.474	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-53.5	-41.9	175.3	-170.5	176.4	-175.3	175.8	0	112.6	K164 L165 F228 G232	K162-K164 PolarHBondContact O-N 2.88Å; K162-K164 VanDerWaalsContact O-N 3.09Å; K162-L165 HydrophobicContact CG-CD1 4.46Å; K162-L165 WeakPolarHBondContact O-CB 3.5Å; K162-L165 WeakPolarHBondContact O-CG 3.48Å; K162-L165 PolarHBondContact O-N 3.5Å; K162-L165 VanDerWaalsContact O-N 3.15Å; K162-F228 HydrophobicContact CB-CD1 3.68Å; K162-F228 HydrophobicContact CB-CD2 4.18Å; K162-F228 HydrophobicContact CB-CE1 3.55Å; K162-F228 HydrophobicContact CB-CE2 4.03Å; K162-F228 HydrophobicContact CB-CG 4Å; K162-F228 HydrophobicContact CB-CZ 3.73Å; K162-F228 HydrophobicContact CD-CD2 3.73Å; K162-F228 HydrophobicContact CD-CE2 3.77Å; K162-F228 HydrophobicContact CD-CG 4.23Å; K162-F228 HydrophobicContact CD-CZ 4.31Å; K162-F228 HydrophobicContact CG-CD1 4.43Å; K162-F228 HydrophobicContact CG-CD2 4.09Å; K162-F228 HydrophobicContact CG-CE1 4.13Å; K162-F228 HydrophobicContact CG-CE2 3.73Å; K162-F228 HydrophobicContact CG-CG 4.42Å; K162-F228 HydrophobicContact CG-CZ 3.76Å; K162-G232 PolarHBondContact N-O 3.22Å
163	A	97.9	Very high	98.2	Very high	88 Å²	88	57.7 Å²	57.7	73%	0.727	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.7	-19.7	-177.6	0	0	0	0	0	113.6	P161	P161-A163 PolarHBondContact O-N 3.44Å
164	K	98.3	Very high	98.2	Very high	78 Å²	78	57.9 Å²	57.9	34%	0.339	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-90.1	-10.3	-179.7	-68.1	-59.6	-171.9	179.5	0	114.2	L110 P161 K162 K166 E167 I168	L110-K164 HydrophobicContact CD1-CB 3.9Å; L110-K164 HydrophobicContact CD1-CG 4.19Å; P161-K164 HydrophobicContact CB-CB 4.5Å; P161-K164 HydrophobicContact CB-CG 4.18Å; P161-K164 HydrophobicContact CG-CB 4.4Å; P161-K164 HydrophobicContact CG-CG 3.96Å; P161-K164 PolarHBondContact O-N 3.37Å; K162-K164 PolarHBondContact O-N 2.88Å; K162-K164 VanDerWaalsContact O-N 3.09Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 3.35Å; K164-E167 WeakPolarHBondContact CD-OE2 3.45Å; K164-E167 IonicContact NZ-OE1 2.62Å; K164-E167 PolarHBondContact NZ-OE1 3.03Å; K164-E167 IonicContact NZ-OE2 2.64Å; K164-E167 PolarHBondContact NZ-OE2 3.18Å; K164-E167 PolarHBondContact O-N 3.44Å; K164-E167 VanDerWaalsContact O-N 3.13Å; K164-I168 HydrophobicContact CB-CD1 4.13Å; K164-I168 VanDerWaalsContact O-CG1 3.25Å; K164-I168 WeakPolarHBondContact O-CG1 3.28Å; K164-I168 PolarHBondContact O-N 3.45Å
165	L	98.4	Very high	98.2	Very high	11 Å²	11	59.7 Å²	59.7	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-57.6	-39.2	-179	-68.3	-179.7	0	0	0	112.9	I105 K162 E167 I168 V169 D203 V204 M226 F228	I105-L165 HydrophobicContact CD1-CD2 3.86Å; K162-L165 HydrophobicContact CG-CD1 4.46Å; K162-L165 WeakPolarHBondContact O-CB 3.5Å; K162-L165 WeakPolarHBondContact O-CG 3.48Å; K162-L165 PolarHBondContact O-N 3.5Å; K162-L165 VanDerWaalsContact O-N 3.15Å; L165-E167 PolarHBondContact O-N 3.12Å; L165-I168 HydrophobicContact CD2-CD1 4.43Å; L165-I168 PolarHBondContact O-N 2.69Å; L165-V169 WeakPolarHBondContact O-CG2 3.23Å; L165-V169 PolarHBondContact O-N 2.65Å; L165-D203 HydrophobicContact CD1-CB 3.69Å; L165-V204 HydrophobicContact CD2-CG2 4.36Å; L165-M226 HydrophobicContact CD1-SD 4.35Å; L165-M226 HydrophobicContact CD2-SD 4.38Å; L165-F228 HydrophobicContact CD1-CZ 4.08Å
166	K	98.5	Very high	98.3	Very high	139 Å²	139	60.4 Å²	60.4	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-58.2	-48.9	175.7	177	168.5	-174.2	-179.2	0	112.5	K164 A170 E207 Q211	K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 3.35Å; K166-A170 WeakPolarHBondContact O-CB 3.38Å; K166-A170 PolarHBondContact O-N 3.38Å; K166-A170 VanDerWaalsContact O-N 3.08Å; K166-E207 WeakPolarHBondContact CB-OE1 3.48Å; K166-E207 VanDerWaalsContact CG-OE1 3.31Å; K166-E207 WeakPolarHBondContact CG-OE1 3.43Å; K166-Q211 PolarHBondContact O-NE2 3.22Å
167	E	98.6	Very high	98.3	Very high	94 Å²	94	58.4 Å²	58.4	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-65.4	-43.8	178.1	-66.5	171.4	-150.1	0	0	110.9	K164 L165 V169 A170 E171	K164-E167 WeakPolarHBondContact CD-OE2 3.45Å; K164-E167 IonicContact NZ-OE1 2.62Å; K164-E167 PolarHBondContact NZ-OE1 3.03Å; K164-E167 IonicContact NZ-OE2 2.64Å; K164-E167 PolarHBondContact NZ-OE2 3.18Å; K164-E167 PolarHBondContact O-N 3.44Å; K164-E167 VanDerWaalsContact O-N 3.13Å; L165-E167 PolarHBondContact O-N 3.12Å; E167-V169 VanDerWaalsContact C-N 3.34Å; E167-V169 PolarHBondContact O-N 2.97Å; E167-A170 PolarHBondContact O-N 2.94Å; E167-E171 WeakPolarHBondContact O-CB 3.36Å; E167-E171 WeakPolarHBondContact O-CG 3.33Å; E167-E171 PolarHBondContact O-N 2.86Å
168	I	98.7	Very high	98.3	Very high	13 Å²	13	57 Å²	57	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-45.8	179.3	-69.8	164.9	0	0	0	111.4	I104 I105 C108 L110 K164 L165 S172	I104-I168 HydrophobicContact CG2-CG2 3.75Å; I105-I168 HydrophobicContact CD1-CG2 4.06Å; C108-I168 HydrophobicContact CB-CB 4.31Å; C108-I168 HydrophobicContact CB-CD1 4.37Å; C108-I168 HydrophobicContact CB-CG1 3.95Å; C108-I168 HydrophobicContact CB-CG2 3.55Å; L110-I168 HydrophobicContact CD1-CD1 3.93Å; K164-I168 HydrophobicContact CB-CD1 4.13Å; K164-I168 VanDerWaalsContact O-CG1 3.25Å; K164-I168 WeakPolarHBondContact O-CG1 3.28Å; K164-I168 PolarHBondContact O-N 3.45Å; L165-I168 HydrophobicContact CD2-CD1 4.43Å; L165-I168 PolarHBondContact O-N 2.69Å; I168-S172 WeakPolarHBondContact O-CB 3.41Å; I168-S172 PolarHBondContact O-N 2.79Å
169	V	98.8	Very high	98.4	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-44.7	178.7	170	0	0	0	0	111	I104 L165 E167 E171 S172 V204 E207 V208	I104-V169 HydrophobicContact CG2-CG2 4.18Å; L165-V169 WeakPolarHBondContact O-CG2 3.23Å; L165-V169 PolarHBondContact O-N 2.65Å; E167-V169 VanDerWaalsContact C-N 3.34Å; E167-V169 PolarHBondContact O-N 2.97Å; V169-E171 VanDerWaalsContact C-N 3.26Å; V169-E171 PolarHBondContact O-N 2.78Å; V169-S172 WeakPolarHBondContact O-CB 3.31Å; V169-S172 PolarHBondContact O-N 3.41Å; V169-S172 VanDerWaalsContact O-N 3.08Å; V169-S172 PolarHBondContact O-OG 3.13Å; V169-V204 HydrophobicContact CG2-CG1 4.04Å; V169-E207 HydrophobicContact CB-CB 4.5Å; V169-E207 HydrophobicContact CB-CG 3.92Å; V169-E207 HydrophobicContact CG1-CG 4.2Å; V169-E207 HydrophobicContact CG2-CB 4.03Å; V169-E207 HydrophobicContact CG2-CG 3.91Å; V169-V208 HydrophobicContact CG1-CB 4.41Å; V169-V208 HydrophobicContact CG1-CG2 3.72Å; V169-V208 HydrophobicContact CG2-CG2 4.4Å
170	A	98.6	Very high	98.5	Very high	65 Å²	65	55.9 Å²	55.9	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-62.7	-31.7	-179.4	0	0	0	0	0	113.2	K166 E167	K166-A170 WeakPolarHBondContact O-CB 3.38Å; K166-A170 PolarHBondContact O-N 3.38Å; K166-A170 VanDerWaalsContact O-N 3.08Å; E167-A170 PolarHBondContact O-N 2.94Å
171	E	98.2	Very high	98.5	Very high	116 Å²	116	59.8 Å²	59.8	54%	0.542	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.2	177.3	-67	-173.8	160.3	0	0	113.8	K109 E167 V169	K109-E171 WeakPolarHBondContact CE-OE2 3.22Å; K109-E171 IonicContact NZ-OE1 2.59Å; K109-E171 PolarHBondContact NZ-OE1 3.35Å; K109-E171 IonicContact NZ-OE2 2.79Å; K109-E171 PolarHBondContact NZ-OE2 2.82Å; E167-E171 WeakPolarHBondContact O-CB 3.36Å; E167-E171 WeakPolarHBondContact O-CG 3.33Å; E167-E171 PolarHBondContact O-N 2.86Å; V169-E171 VanDerWaalsContact C-N 3.26Å; V169-E171 PolarHBondContact O-N 2.78Å
172	S	98.4	Very high	98.5	Very high	29 Å²	29	61.6 Å²	61.6	20%	0.203	33%	0.326	C	S	.	.	S	Bend	trans	-83.8	162.7	-176.3	77.8	0	0	0	0	113.2	I168 V169 V174	I168-S172 WeakPolarHBondContact O-CB 3.41Å; I168-S172 PolarHBondContact O-N 2.79Å; V169-S172 WeakPolarHBondContact O-CB 3.31Å; V169-S172 PolarHBondContact O-N 3.41Å; V169-S172 VanDerWaalsContact O-N 3.08Å; V169-S172 PolarHBondContact O-OG 3.13Å; S172-V174 PolarHBondContact O-N 2.98Å; S172-V174 VanDerWaalsContact OG-CG1 3.3Å; S172-V174 WeakPolarHBondContact OG-CG1 3.41Å; S172-V174 PolarHBondContact OG-N 2.93Å
173	D	98.1	Very high	98.6	Very high	96 Å²	96	56.5 Å²	56.5	51%	0.513	30%	0.304	S	S	.	.			trans	-86.6	20.1	175.6	-68.7	-30.1	0	0	0	112.8	K96 P99	K96-D173 IonicContact NZ-OD2 2.64Å; K96-D173 PolarHBondContact NZ-OD2 3.21Å; P99-D173 VanDerWaalsContact CD-O 3.31Å; P99-D173 WeakPolarHBondContact CD-O 3.32Å; P99-D173 HydrophobicContact CG-CB 4.38Å
174	V	98.6	Very high	98.6	Very high	31 Å²	31	52.3 Å²	52.3	19%	0.188	27%	0.269	C	S	.	.			trans	-64.3	138.4	-178.9	70.1	0	0	0	0	110.7	P99 I104 S172 V208	P99-V174 HydrophobicContact CG-CB 4.24Å; I104-V174 HydrophobicContact CD1-CB 3.75Å; I104-V174 HydrophobicContact CD1-CG1 4.26Å; I104-V174 HydrophobicContact CD1-CG2 3.84Å; I104-V174 HydrophobicContact CG1-CB 4.28Å; S172-V174 PolarHBondContact O-N 2.98Å; S172-V174 VanDerWaalsContact OG-CG1 3.3Å; S172-V174 WeakPolarHBondContact OG-CG1 3.41Å; S172-V174 PolarHBondContact OG-N 2.93Å; V174-V208 HydrophobicContact CG1-CG1 4.22Å; V174-V208 HydrophobicContact CG1-CG2 4.1Å; V174-V208 HydrophobicContact CG2-CG1 4.03Å; V174-V208 HydrophobicContact CG2-CG2 4.14Å
175	M	98.8	Very high	98.6	Very high	60 Å²	60	52.2 Å²	52.2	30%	0.296	27%	0.273	S	S	.	.			trans	-136.6	134.1	175.9	-59.8	-166.7	88.4	0	0	109.7	S89 R90 Y93	S89-M175 CarbonylContact C-O 3.57Å; S89-M175 VanDerWaalsContact CA-O 3.31Å; S89-M175 WeakPolarHBondContact CA-O 3.45Å; S89-M175 WeakPolarHBondContact CB-O 3.37Å; R90-M175 HydrophobicContact CB-CB 4.3Å; R90-M175 HydrophobicContact CG-CB 4.04Å; R90-M175 PolarHBondContact N-O 2.99Å; Y93-M175 HydrophobicContact CD1-CE 4.33Å; Y93-M175 HydrophobicContact CD1-SD 3.56Å; Y93-M175 VanDerWaalsContact CD1-SD 3.56Å; Y93-M175 HydrophobicContact CD2-CE 4.17Å; Y93-M175 HydrophobicContact CD2-SD 3.69Å; Y93-M175 HydrophobicContact CE1-CE 4.23Å; Y93-M175 HydrophobicContact CE1-SD 4.06Å; Y93-M175 HydrophobicContact CE2-CE 4.07Å; Y93-M175 HydrophobicContact CE2-SD 4.17Å; Y93-M175 HydrophobicContact CG-CE 4.29Å; Y93-M175 HydrophobicContact CG-SD 3.34Å
176	L	98.9	Very high	98.6	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.084	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-79.8	151.4	167.4	-64	177.1	0	0	0	110.2	F84 L88 R90 Y180 V208 A212 V214	F84-L176 HydrophobicContact CE2-CD2 3.99Å; F84-L176 HydrophobicContact CZ-CD2 4.07Å; L88-L176 WeakPolarHBondContact O-CA 2.92Å; R90-L176 WeakPolarHBondContact CG-O 3.25Å; R90-L176 PolarHBondContact NE-O 3.45Å; L176-Y180 HydrophobicContact CB-CD1 3.53Å; L176-Y180 HydrophobicContact CB-CD2 4.19Å; L176-Y180 HydrophobicContact CB-CE1 4.09Å; L176-Y180 HydrophobicContact CB-CG 3.6Å; L176-Y180 HydrophobicContact CD1-CD1 4.25Å; L176-Y180 HydrophobicContact CD1-CD2 3.39Å; L176-Y180 HydrophobicContact CD1-CE1 4.5Å; L176-Y180 HydrophobicContact CD1-CE2 3.69Å; L176-Y180 HydrophobicContact CD1-CG 3.72Å; L176-Y180 HydrophobicContact CG-CD2 4.43Å; L176-Y180 HydrophobicContact CG-CG 4.31Å; L176-V208 HydrophobicContact CD2-CG1 4.24Å; L176-A212 HydrophobicContact CD1-CB 3.77Å; L176-V214 HydrophobicContact CD1-CG2 4.42Å
177	K	98.9	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-59.6	149	175.3	-74.4	-166.2	-170.1	-79.3	0	110.4	M86 T87 L88 R90 G179 Y180 Y294 D317 E318 L320	M86-K177 VanDerWaalsContact O-CE 3.25Å; M86-K177 WeakPolarHBondContact O-CE 3.18Å; M86-K177 PolarHBondContact O-NZ 2.62Å; T87-K177 WeakPolarHBondContact O-CD 3.18Å; T87-K177 WeakPolarHBondContact O-CE 3.44Å; L88-K177 PolarHBondContact O-N 2.77Å; R90-K177 HydrophobicContact CG-CG 4.23Å; K177-G179 PolarHBondContact O-N 3.5Å; K177-Y180 WeakPolarHBondContact O-CB 3.5Å; K177-Y180 WeakPolarHBondContact O-CD1 3.46Å; K177-Y180 PolarHBondContact O-N 3.04Å; K177-Y294 HydrophobicContact CD-CD1 4.17Å; K177-Y294 HydrophobicContact CD-CE1 3.59Å; K177-Y294 VanDerWaalsContact CE-CE1 3.49Å; K177-D317 PolarHBondContact NZ-O 2.64Å; K177-E318 CarbonylContact C-O 3.53Å; K177-E318 VanDerWaalsContact CA-O 3.29Å; K177-E318 WeakPolarHBondContact CA-O 3.43Å; K177-E318 WeakPolarHBondContact CB-O 3.29Å; K177-E318 IonicContact NZ-OE2 2.69Å; K177-E318 PolarHBondContact NZ-OE2 2.97Å; K177-L320 HydrophobicContact CB-CD1 4.26Å; K177-L320 HydrophobicContact CB-CG 4.03Å
178	E	98.8	Very high	98.6	Very high	108 Å²	108	44.1 Å²	44.1	51%	0.505	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-57.6	134.4	179.7	-174	171.3	157.9	0	0	111.8	E318 S319 L320	E178-E318 PolarHBondContact N-O 3.34Å; E178-S319 WeakPolarHBondContact O-CA 3.39Å; E178-L320 PolarHBondContact O-N 2.93Å
179	G	98.6	Very high	98.6	Very high	22 Å²	22	50.6 Å²	50.6	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	16.2	-177.9	0	0	0	0	0	114.7	K177 E181 F183 N324	K177-G179 PolarHBondContact O-N 3.5Å; G179-E181 VanDerWaalsContact C-N 3.32Å; G179-E181 PolarHBondContact O-N 3.3Å; G179-F183 PolarHBondContact O-N 2.96Å; G179-F183 VanDerWaalsContact O-N 3.11Å; G179-N324 PolarHBondContact O-ND2 2.69Å
180	Y	98.9	Very high	98.6	Very high	48 Å²	48	53.2 Å²	53.2	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-36.4	177.3	75.3	-87	0	0	0	112.4	L176 K177 N182 F183 F184 A212 V214	L176-Y180 HydrophobicContact CB-CD1 3.53Å; L176-Y180 HydrophobicContact CB-CD2 4.19Å; L176-Y180 HydrophobicContact CB-CE1 4.09Å; L176-Y180 HydrophobicContact CB-CG 3.6Å; L176-Y180 HydrophobicContact CD1-CD1 4.25Å; L176-Y180 HydrophobicContact CD1-CD2 3.39Å; L176-Y180 HydrophobicContact CD1-CE1 4.5Å; L176-Y180 HydrophobicContact CD1-CE2 3.69Å; L176-Y180 HydrophobicContact CD1-CG 3.72Å; L176-Y180 HydrophobicContact CG-CD2 4.43Å; L176-Y180 HydrophobicContact CG-CG 4.31Å; K177-Y180 WeakPolarHBondContact O-CB 3.5Å; K177-Y180 WeakPolarHBondContact O-CD1 3.46Å; K177-Y180 PolarHBondContact O-N 3.04Å; Y180-N182 PolarHBondContact O-N 3.41Å; Y180-F183 WeakPolarHBondContact O-CB 3.43Å; Y180-F183 PolarHBondContact O-N 3.4Å; Y180-F184 HydrophobicContact CD2-CD2 4.41Å; Y180-F184 VanDerWaalsContact O-CD2 3.26Å; Y180-F184 WeakPolarHBondContact O-CD2 3.37Å; Y180-F184 PolarHBondContact O-N 3.44Å; Y180-A212 HydrophobicContact CE2-CB 3.89Å; Y180-V214 HydrophobicContact CD2-CG1 3.98Å; Y180-V214 HydrophobicContact CD2-CG2 4.17Å; Y180-V214 HydrophobicContact CE2-CG1 3.94Å; Y180-V214 HydrophobicContact CE2-CG2 4.37Å
181	E	98.7	Very high	98.6	Very high	85 Å²	85	54.3 Å²	54.3	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-57.9	-54.2	178.7	-61	90.8	156.4	0	0	109.9	G179 F183 F184 D185	G179-E181 VanDerWaalsContact C-N 3.32Å; G179-E181 PolarHBondContact O-N 3.3Å; E181-F183 VanDerWaalsContact C-N 3.27Å; E181-F183 PolarHBondContact O-N 3.37Å; E181-F184 PolarHBondContact O-N 3.18Å; E181-D185 WeakPolarHBondContact O-CB 3.44Å; E181-D185 PolarHBondContact O-N 3.16Å
182	N	98.5	Very high	98.6	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-36.5	178	-179.5	60.5	0	0	0	112.5	Y180 K186	Y180-N182 PolarHBondContact O-N 3.41Å; N182-K186 WeakPolarHBondContact O-CB 3.42Å; N182-K186 PolarHBondContact O-N 2.8Å; N182-K186 VanDerWaalsContact O-N 3.09Å
183	F	98.9	Very high	98.6	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-56.4	176.6	-179.7	-98.1	0	0	0	110.9	I80 L88 G179 Y180 E181 L187 L270 L320 A323 N324 L327	I80-F183 HydrophobicContact CG2-CZ 4.02Å; L88-F183 HydrophobicContact CD2-CD1 4.47Å; L88-F183 HydrophobicContact CD2-CE1 4.07Å; G179-F183 PolarHBondContact O-N 2.96Å; G179-F183 VanDerWaalsContact O-N 3.11Å; Y180-F183 WeakPolarHBondContact O-CB 3.43Å; Y180-F183 PolarHBondContact O-N 3.4Å; E181-F183 VanDerWaalsContact C-N 3.27Å; E181-F183 PolarHBondContact O-N 3.37Å; F183-L187 HydrophobicContact CD1-CD1 3.81Å; F183-L187 HydrophobicContact CD2-CD1 4.27Å; F183-L187 HydrophobicContact CE1-CD1 3.52Å; F183-L187 HydrophobicContact CE2-CD1 4.01Å; F183-L187 HydrophobicContact CG-CD1 4.18Å; F183-L187 HydrophobicContact CZ-CD1 3.63Å; F183-L187 WeakPolarHBondContact O-CB 3.48Å; F183-L187 VanDerWaalsContact O-CD1 3.25Å; F183-L187 WeakPolarHBondContact O-CD1 3.36Å; F183-L187 WeakPolarHBondContact O-CG 3.38Å; F183-L187 PolarHBondContact O-N 3.48Å; F183-L270 HydrophobicContact CE2-CD1 3.97Å; F183-L270 HydrophobicContact CZ-CD1 3.71Å; F183-L320 HydrophobicContact CB-CD1 4.08Å; F183-L320 HydrophobicContact CD1-CD1 4.47Å; F183-L320 HydrophobicContact CG-CD1 4.17Å; F183-A323 HydrophobicContact CD2-CB 4.43Å; F183-A323 HydrophobicContact CE2-CB 4.21Å; F183-N324 WeakPolarHBondContact CA-OD1 3.39Å; F183-N324 VanDerWaalsContact CB-OD1 3.27Å; F183-N324 WeakPolarHBondContact CB-OD1 3.45Å; F183-N324 PolarHBondContact N-OD1 2.81Å; F183-L327 HydrophobicContact CD2-CD1 3.67Å; F183-L327 HydrophobicContact CE2-CD1 3.79Å
184	F	98.9	Very high	98.7	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-43.3	-177.5	-78.3	-75.2	0	0	0	112.7	L88 Y180 E181 K186 L187 Q188 I196 V214 V219	L88-F184 HydrophobicContact CD1-CZ 3.98Å; Y180-F184 HydrophobicContact CD2-CD2 4.41Å; Y180-F184 VanDerWaalsContact O-CD2 3.26Å; Y180-F184 WeakPolarHBondContact O-CD2 3.37Å; Y180-F184 PolarHBondContact O-N 3.44Å; E181-F184 PolarHBondContact O-N 3.18Å; F184-K186 PolarHBondContact O-N 3.4Å; F184-L187 PolarHBondContact O-N 3.37Å; F184-Q188 WeakPolarHBondContact O-CB 3.48Å; F184-Q188 PolarHBondContact O-N 2.82Å; F184-I196 HydrophobicContact CE1-CD1 4.2Å; F184-I196 HydrophobicContact CZ-CD1 4.27Å; F184-V214 HydrophobicContact CB-CB 3.64Å; F184-V214 HydrophobicContact CB-CG1 3.87Å; F184-V214 HydrophobicContact CD1-CB 4.33Å; F184-V214 HydrophobicContact CD2-CB 3.72Å; F184-V214 HydrophobicContact CD2-CG1 4.15Å; F184-V214 HydrophobicContact CD2-CG2 3.66Å; F184-V214 HydrophobicContact CE2-CB 4.46Å; F184-V214 HydrophobicContact CE2-CG2 3.93Å; F184-V214 HydrophobicContact CG-CB 3.65Å; F184-V214 HydrophobicContact CG-CG1 4.25Å; F184-V214 HydrophobicContact CG-CG2 4.04Å; F184-V219 HydrophobicContact CD1-CG2 4.09Å; F184-V219 HydrophobicContact CE1-CG2 4.16Å
185	D	98.4	Very high	98.7	Very high	76 Å²	76	42.4 Å²	42.4	41%	0.406	22%	0.219	S	C	.	.	H	α-helix	trans	-67.1	-40.5	-175.9	-68.8	-13.5	0	0	0	111.4	E181 Q188 Q189 H216	E181-D185 WeakPolarHBondContact O-CB 3.44Å; E181-D185 PolarHBondContact O-N 3.16Å; D185-Q188 PolarHBondContact O-N 3.21Å; D185-Q189 WeakPolarHBondContact O-CB 3.45Å; D185-Q189 PolarHBondContact O-N 3.05Å; D185-H216 IonicContact OD1-CD2 2.72Å; D185-H216 IonicContact OD1-CE1 3.74Å; D185-H216 IonicContact OD1-NE2 3.47Å; D185-H216 PolarHBondContact OD1-NE2 3.27Å
186	K	98.4	Very high	98.7	Very high	17 Å²	17	39.5 Å²	39.5	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-40.5	176.7	-164.5	173.5	-166.8	-161.5	0	111.7	N182 F184 Q189 H190 L327 Q328 L331	N182-K186 WeakPolarHBondContact O-CB 3.42Å; N182-K186 PolarHBondContact O-N 2.8Å; N182-K186 VanDerWaalsContact O-N 3.09Å; F184-K186 PolarHBondContact O-N 3.4Å; K186-Q189 PolarHBondContact O-N 2.98Å; K186-H190 PolarHBondContact O-CD2 3.44Å; K186-H190 PolarHBondContact O-N 2.99Å; K186-L327 PolarHBondContact NZ-O 3.3Å; K186-Q328 VanDerWaalsContact NZ-CA 3.34Å; K186-L331 HydrophobicContact CD-CB 4.45Å; K186-L331 HydrophobicContact CD-CD1 4.39Å; K186-L331 HydrophobicContact CG-CD1 4.07Å; K186-L331 PolarHBondContact NZ-O 3.29Å
187	L	98.8	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-43.7	175.1	-68.5	167.7	0	0	0	111.1	I80 F183 F184 H190 S191 I192 V194 L327 L331	I80-L187 HydrophobicContact CD1-CD2 3.94Å; I80-L187 HydrophobicContact CG1-CD1 3.88Å; I80-L187 HydrophobicContact CG1-CD2 3.56Å; I80-L187 HydrophobicContact CG1-CG 4.39Å; F183-L187 HydrophobicContact CD1-CD1 3.81Å; F183-L187 HydrophobicContact CD2-CD1 4.27Å; F183-L187 HydrophobicContact CE1-CD1 3.52Å; F183-L187 HydrophobicContact CE2-CD1 4.01Å; F183-L187 HydrophobicContact CG-CD1 4.18Å; F183-L187 HydrophobicContact CZ-CD1 3.63Å; F183-L187 WeakPolarHBondContact O-CB 3.48Å; F183-L187 VanDerWaalsContact O-CD1 3.25Å; F183-L187 WeakPolarHBondContact O-CD1 3.36Å; F183-L187 WeakPolarHBondContact O-CG 3.38Å; F183-L187 PolarHBondContact O-N 3.48Å; F184-L187 PolarHBondContact O-N 3.37Å; L187-H190 CarbonylContact O-C 3.49Å; L187-H190 PolarHBondContact O-N 2.87Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-I192 HydrophobicContact CB-CB 4.24Å; L187-I192 HydrophobicContact CD2-CB 3.7Å; L187-I192 HydrophobicContact CD2-CG1 3.99Å; L187-I192 HydrophobicContact CD2-CG2 3.71Å; L187-I192 PolarHBondContact O-N 3.4Å; L187-V194 HydrophobicContact CB-CG2 4.07Å; L187-V194 HydrophobicContact CD1-CG2 3.75Å; L187-V194 HydrophobicContact CG-CG2 4.41Å; L187-L327 HydrophobicContact CD1-CD1 4.34Å; L187-L327 HydrophobicContact CD2-CD1 3.98Å; L187-L327 HydrophobicContact CD2-CD2 3.86Å; L187-L327 HydrophobicContact CG-CD1 4.09Å; L187-L331 HydrophobicContact CD2-CD1 4.44Å
188	Q	98.6	Very high	98.6	Very high	56 Å²	56	38.8 Å²	38.8	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-65.5	-42.4	176.7	171	56.2	22.2	0	0	112.3	F184 D185 H190 S191 H216 N218	F184-Q188 WeakPolarHBondContact O-CB 3.48Å; F184-Q188 PolarHBondContact O-N 2.82Å; D185-Q188 PolarHBondContact O-N 3.21Å; Q188-H190 PolarHBondContact O-N 2.59Å; Q188-S191 PolarHBondContact O-N 2.72Å; Q188-H216 HydrophobicContact CB-CB 3.92Å; Q188-H216 HydrophobicContact CG-CB 3.79Å; Q188-N218 PolarHBondContact N-ND2 3.14Å; Q188-N218 PolarHBondContact OE1-OD1 2.71Å
189	Q	98.5	Very high	98.6	Very high	149 Å²	149	34 Å²	34	70%	0.696	18%	0.181	S	C	*	.	H	α-helix	trans	-55.7	-36.3	178.3	178.6	-178.4	-8.2	0	0	112.1	D185 K186	D185-Q189 WeakPolarHBondContact O-CB 3.45Å; D185-Q189 PolarHBondContact O-N 3.05Å; K186-Q189 PolarHBondContact O-N 2.98Å
190	H	98.5	Very high	98.5	Very high	61 Å²	61	33.1 Å²	33.1	28%	0.282	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.7	178	-67.9	-100.9	0	0	0	113.2	A75 K186 L187 Q188 I192 L331	A75-H190 HydrophobicContact CB-CB 4.36Å; K186-H190 PolarHBondContact O-CD2 3.44Å; K186-H190 PolarHBondContact O-N 2.99Å; L187-H190 CarbonylContact O-C 3.49Å; L187-H190 PolarHBondContact O-N 2.87Å; Q188-H190 PolarHBondContact O-N 2.59Å; H190-I192 HydrophobicContact CB-CD1 3.92Å; H190-I192 HydrophobicContact CB-CG1 3.89Å; H190-I192 PolarHBondContact O-N 2.99Å; H190-L331 HydrophobicContact CB-CD1 4.33Å; H190-L331 HydrophobicContact CB-CD2 4.09Å; H190-L331 PolarHBondContact CE1-OXT 3.32Å
191	S	98.1	Very high	98.5	Very high	88 Å²	88	30.9 Å²	30.9	62%	0.615	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.1	-178.3	-57.7	0	0	0	0	113.6	L187 Q188 P193	L187-S191 PolarHBondContact O-N 3.49Å; Q188-S191 PolarHBondContact O-N 2.72Å; S191-P193 WeakPolarHBondContact O-CD 3.3Å
192	I	98.8	Very high	98.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.144	C	C	.	.			trans	-72	124.1	178.2	-53.4	-53.1	0	0	0	108.6	A75 L78 I80 L187 H190 V194 N218 L331	A75-I192 HydrophobicContact CB-CD1 3.77Å; A75-I192 WeakPolarHBondContact O-CD1 3.25Å; L78-I192 HydrophobicContact CB-CD1 4.33Å; L78-I192 HydrophobicContact CB-CG2 4.29Å; L78-I192 HydrophobicContact CD2-CD1 4.48Å; L78-I192 HydrophobicContact CD2-CG1 4.44Å; L78-I192 HydrophobicContact CD2-CG2 4.04Å; L78-I192 HydrophobicContact CG-CG2 3.93Å; I80-I192 HydrophobicContact CG1-CG2 4.07Å; L187-I192 HydrophobicContact CB-CB 4.24Å; L187-I192 HydrophobicContact CD2-CB 3.7Å; L187-I192 HydrophobicContact CD2-CG1 3.99Å; L187-I192 HydrophobicContact CD2-CG2 3.71Å; L187-I192 PolarHBondContact O-N 3.4Å; H190-I192 HydrophobicContact CB-CD1 3.92Å; H190-I192 HydrophobicContact CB-CG1 3.89Å; H190-I192 PolarHBondContact O-N 2.99Å; I192-V194 PolarHBondContact O-N 2.77Å; I192-N218 WeakPolarHBondContact O-CB 3.44Å; I192-N218 PolarHBondContact O-ND2 3.26Å; I192-L331 HydrophobicContact CD1-CD2 3.75Å; I192-L331 HydrophobicContact CG1-CD1 4.07Å; I192-L331 HydrophobicContact CG1-CD2 4.02Å
193	P	98.6	Very high	98.6	Very high	19 Å²	19	23.9 Å²	23.9	12%	0.123	13%	0.128	C	C	.	.			trans	-61.5	130	176.3	-20.8	31.9	0	0	0	111.2	Q79 I80 S191 L261	Q79-P193 HydrophobicContact CB-CB 4.31Å; I80-P193 PolarHBondContact N-O 2.92Å; S191-P193 WeakPolarHBondContact O-CD 3.3Å; P193-L261 HydrophobicContact CB-CD1 3.53Å; P193-L261 HydrophobicContact CB-CD2 4.15Å; P193-L261 HydrophobicContact CG-CD1 3.89Å; P193-L261 HydrophobicContact CG-CD2 3.63Å; P193-L261 HydrophobicContact CG-CG 4.4Å
194	V	98.8	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.5	176.4	-176.3	0	0	0	0	109.1	I80 T82 L187 I192 I196 N218 V219 K220	I80-V194 HydrophobicContact CB-CB 4.46Å; I80-V194 HydrophobicContact CB-CG1 4.27Å; I80-V194 HydrophobicContact CB-CG2 4.21Å; I80-V194 HydrophobicContact CG1-CG2 4.29Å; I80-V194 HydrophobicContact CG2-CG1 4.28Å; T82-V194 HydrophobicContact CG2-CG1 4.34Å; L187-V194 HydrophobicContact CB-CG2 4.07Å; L187-V194 HydrophobicContact CD1-CG2 3.75Å; L187-V194 HydrophobicContact CG-CG2 4.41Å; I192-V194 PolarHBondContact O-N 2.77Å; V194-I196 HydrophobicContact CG1-CG1 4.07Å; V194-N218 PolarHBondContact N-O 3.15Å; V194-V219 HydrophobicContact CB-CG2 4.2Å; V194-V219 CarbonylContact O-C 3.58Å; V194-V219 WeakPolarHBondContact O-CA 3.49Å; V194-K220 PolarHBondContact O-N 2.84Å
195	F	98.6	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	100.5	176.7	-171.8	-101.7	0	0	0	109.6	I80 I81 T82 F197 K220 V222 N254 Y257 F258	I80-F195 PolarHBondContact O-N 2.77Å; I81-F195 WeakPolarHBondContact CA-O 3.35Å; I81-F195 HydrophobicContact CG1-CB 4.23Å; I81-F195 HydrophobicContact CG2-CD1 4.36Å; T82-F195 PolarHBondContact N-O 3Å; F195-F197 HydrophobicContact CD1-CB 3.86Å; F195-F197 HydrophobicContact CE1-CB 3.57Å; F195-F197 AromaticContact CE1-CD2 3.82Å; F195-F197 HydrophobicContact CE1-CD2 3.82Å; F195-F197 AromaticContact CE1-CG 3.76Å; F195-F197 HydrophobicContact CE1-CG 3.76Å; F195-K220 HydrophobicContact CD2-CB 4.21Å; F195-K220 HydrophobicContact CD2-CG 3.93Å; F195-K220 HydrophobicContact CE2-CG 4.16Å; F195-V222 HydrophobicContact CD2-CG2 4.43Å; F195-V222 HydrophobicContact CE2-CB 4.18Å; F195-V222 HydrophobicContact CE2-CG2 3.37Å; F195-V222 HydrophobicContact CZ-CB 3.81Å; F195-V222 HydrophobicContact CZ-CG1 4.43Å; F195-V222 HydrophobicContact CZ-CG2 3.43Å; F195-V222 VanDerWaalsContact CZ-CG2 3.43Å; F195-N254 HydrophobicContact CE2-CB 4.38Å; F195-N254 HydrophobicContact CZ-CB 4.13Å; F195-Y257 HydrophobicContact CB-CE1 3.91Å; F195-Y257 AromaticContact CD2-CD1 3.72Å; F195-Y257 HydrophobicContact CD2-CD1 3.72Å; F195-Y257 AromaticContact CD2-CE1 3.38Å; F195-Y257 HydrophobicContact CD2-CE1 3.38Å; F195-Y257 HydrophobicContact CD2-CE2 4.49Å; F195-Y257 HydrophobicContact CD2-CG 4.41Å; F195-Y257 AromaticContact CD2-CZ 3.81Å; F195-Y257 AromaticContact CE2-CD1 3.99Å; F195-Y257 HydrophobicContact CE2-CD1 3.99Å; F195-Y257 HydrophobicContact CE2-CE1 4.13Å; F195-Y257 HydrophobicContact CE2-CG 4.48Å; F195-Y257 HydrophobicContact CG-CD1 4.49Å; F195-Y257 AromaticContact CG-CE1 3.91Å; F195-Y257 HydrophobicContact CG-CE1 3.91Å; F195-F258 HydrophobicContact CD1-CZ 4.05Å; F195-F258 AromaticContact CE1-CZ 3.94Å; F195-F258 HydrophobicContact CE1-CZ 3.94Å; F195-F258 HydrophobicContact CG-CZ 4.41Å; F195-F258 HydrophobicContact CZ-CZ 4.21Å
196	I	98.8	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113.5	174.1	-53.6	-178.1	0	0	0	108.1	T82 F84 L88 F184 V194 L205 I209 V219 K220 V221 V222	T82-I196 HydrophobicContact CG2-CB 4.39Å; T82-I196 HydrophobicContact CG2-CG1 3.88Å; T82-I196 CarbonylContact O-C 3.57Å; T82-I196 WeakPolarHBondContact O-CA 3.35Å; F84-I196 HydrophobicContact CB-CG2 3.84Å; F84-I196 HydrophobicContact CD2-CG2 4.36Å; L88-I196 HydrophobicContact CD1-CD1 4.07Å; L88-I196 HydrophobicContact CD1-CG1 4.36Å; F184-I196 HydrophobicContact CE1-CD1 4.2Å; F184-I196 HydrophobicContact CZ-CD1 4.27Å; V194-I196 HydrophobicContact CG1-CG1 4.07Å; I196-L205 HydrophobicContact CG2-CD1 3.88Å; I196-L205 HydrophobicContact CG2-CD2 4.48Å; I196-I209 HydrophobicContact CD1-CD1 4.21Å; I196-V219 HydrophobicContact CD1-CG1 3.56Å; I196-V219 HydrophobicContact CG1-CG1 3.94Å; I196-K220 PolarHBondContact N-O 2.82Å; I196-V221 HydrophobicContact CB-CG2 4.42Å; I196-V221 WeakPolarHBondContact O-CA 3.3Å; I196-V222 PolarHBondContact O-N 3.24Å
197	F	98.3	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	95.4	-176.6	-170.4	12.8	0	0	0	110.9	T82 F195 V222 I242 K247 A251 M279	T82-F197 PolarHBondContact O-N 2.81Å; F195-F197 HydrophobicContact CD1-CB 3.86Å; F195-F197 HydrophobicContact CE1-CB 3.57Å; F195-F197 AromaticContact CE1-CD2 3.82Å; F195-F197 HydrophobicContact CE1-CD2 3.82Å; F195-F197 AromaticContact CE1-CG 3.76Å; F195-F197 HydrophobicContact CE1-CG 3.76Å; F197-V222 WeakPolarHBondContact CA-O 3.28Å; F197-V222 HydrophobicContact CD1-CB 4.07Å; F197-V222 HydrophobicContact CD1-CG1 3.8Å; F197-V222 HydrophobicContact CE1-CG1 3.84Å; F197-I242 HydrophobicContact CD1-CG2 4.48Å; F197-I242 HydrophobicContact CE1-CD1 3.84Å; F197-I242 HydrophobicContact CE1-CG1 4.14Å; F197-I242 HydrophobicContact CE1-CG2 3.77Å; F197-I242 HydrophobicContact CZ-CG2 4.41Å; F197-K247 HydrophobicContact CD2-CB 4.31Å; F197-K247 HydrophobicContact CD2-CD 4.39Å; F197-K247 HydrophobicContact CE2-CB 3.68Å; F197-K247 HydrophobicContact CE2-CD 4.48Å; F197-K247 HydrophobicContact CE2-CG 4.22Å; F197-K247 WeakPolarHBondContact CE2-O 3.47Å; F197-K247 HydrophobicContact CZ-CB 3.9Å; F197-K247 HydrophobicContact CZ-CG 4.16Å; F197-K247 VanDerWaalsContact CZ-O 3.32Å; F197-K247 WeakPolarHBondContact CZ-O 3.4Å; F197-K247 WeakPolarHBondContact O-CE 3.37Å; F197-K247 PolarHBondContact O-NZ 3.44Å; F197-A251 HydrophobicContact CE2-CB 4.12Å; F197-M279 HydrophobicContact CB-CG 4.44Å; F197-M279 HydrophobicContact CB-SD 3.94Å; F197-M279 HydrophobicContact CD2-CB 3.93Å; F197-M279 HydrophobicContact CD2-CG 3.67Å; F197-M279 HydrophobicContact CD2-SD 4.24Å; F197-M279 HydrophobicContact CE2-CG 4.32Å; F197-M279 HydrophobicContact CG-CG 4.38Å; F197-M279 HydrophobicContact CG-SD 4.38Å
198	S	98.4	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.6	-169.3	179.6	0	0	0	0	112.2	G200 V222 S223	S198-G200 PolarHBondContact O-N 3.14Å; S198-G200 PolarHBondContact OG-N 2.89Å; S198-V222 PolarHBondContact N-O 3.41Å; S198-S223 VanDerWaalsContact O-CA 3.23Å; S198-S223 WeakPolarHBondContact O-CA 3.4Å; S198-S223 VanDerWaalsContact O-CB 3.32Å; S198-S223 WeakPolarHBondContact O-CB 3.34Å; S198-S223 PolarHBondContact O-OG 3.3Å
199	A	97.9	Very high	98.6	Very high	9 Å²	9	19.9 Å²	19.9	7%	0.074	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-1.4	166	0	0	0	0	0	113	Y148 N224 I242	Y148-A199 VanDerWaalsContact CE1-O 3.24Å; Y148-A199 WeakPolarHBondContact CE1-O 3.46Å; A199-N224 PolarHBondContact O-ND2 3.28Å; A199-I242 HydrophobicContact CB-CG2 4.23Å
200	G	98.1	Very high	98.6	Very high	3 Å²	3	18 Å²	18	3%	0.031	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-148	178.6	0	0	0	0	0	114	S198 S223 N224	S198-G200 PolarHBondContact O-N 3.14Å; S198-G200 PolarHBondContact OG-N 2.89Å; G200-S223 PolarHBondContact O-OG 3.28Å; G200-N224 WeakPolarHBondContact O-CB 3.24Å; G200-N224 PolarHBondContact O-ND2 3.28Å
201	I	98.8	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.4	177.2	-61.6	175.8	0	0	0	108.5	C101 H102 I105 L155 D203 V204 L205 M226 F237	C101-I201 HydrophobicContact CB-CB 4.22Å; H102-I201 HydrophobicContact CB-CD1 4.43Å; I105-I201 HydrophobicContact CG1-CD1 3.9Å; L155-I201 HydrophobicContact CD1-CD1 4.08Å; I201-D203 PolarHBondContact O-N 2.63Å; I201-V204 HydrophobicContact CB-CB 4.16Å; I201-V204 HydrophobicContact CB-CG2 4.1Å; I201-V204 HydrophobicContact CG2-CB 4.1Å; I201-V204 HydrophobicContact CG2-CG2 3.68Å; I201-V204 PolarHBondContact O-N 2.88Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 PolarHBondContact O-N 3.44Å; I201-M226 HydrophobicContact CD1-CE 4.03Å; I201-M226 HydrophobicContact CG2-CE 3.68Å; I201-M226 HydrophobicContact CG2-CG 4.07Å; I201-M226 HydrophobicContact CG2-SD 4.18Å; I201-F237 HydrophobicContact CG1-CE1 4.26Å; I201-F237 HydrophobicContact CG2-CE1 4.29Å
202	G	98.8	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.4	-50.4	-173.3	0	0	0	0	0	113.8	V204 L205 E206 N224	G202-V204 PolarHBondContact O-N 2.73Å; G202-L205 PolarHBondContact O-N 2.64Å; G202-E206 WeakPolarHBondContact O-CB 3.38Å; G202-E206 WeakPolarHBondContact O-CG 3.31Å; G202-E206 PolarHBondContact O-N 3.35Å; G202-N224 PolarHBondContact N-O 3.42Å
203	D	98.9	Very high	98.7	Very high	19 Å²	19	18.5 Å²	18.5	10%	0.102	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-33.9	-178.5	-56.4	-109.7	0	0	0	112.7	L165 I201 E207 F225 M226	L165-D203 HydrophobicContact CD1-CB 3.69Å; I201-D203 PolarHBondContact O-N 2.63Å; D203-E207 WeakPolarHBondContact O-CB 3.34Å; D203-E207 PolarHBondContact O-N 3.18Å; D203-F225 WeakPolarHBondContact OD2-CA 3.34Å; D203-M226 WeakPolarHBondContact OD2-CB 3.41Å; D203-M226 PolarHBondContact OD2-N 3.12Å
204	V	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72.9	-49.4	177.1	175.1	0	0	0	0	110.3	C101 I104 I105 L165 V169 I201 G202 E206 E207 V208	C101-V204 HydrophobicContact CB-CB 4.31Å; C101-V204 HydrophobicContact CB-CG1 4.1Å; I104-V204 HydrophobicContact CB-CG1 4.03Å; I104-V204 HydrophobicContact CD1-CG1 3.65Å; I104-V204 HydrophobicContact CG1-CG1 4.44Å; I104-V204 HydrophobicContact CG2-CG1 3.98Å; I105-V204 HydrophobicContact CD1-CG2 3.61Å; I105-V204 HydrophobicContact CG1-CG2 3.79Å; L165-V204 HydrophobicContact CD2-CG2 4.36Å; V169-V204 HydrophobicContact CG2-CG1 4.04Å; I201-V204 HydrophobicContact CB-CB 4.16Å; I201-V204 HydrophobicContact CB-CG2 4.1Å; I201-V204 HydrophobicContact CG2-CB 4.1Å; I201-V204 HydrophobicContact CG2-CG2 3.68Å; I201-V204 PolarHBondContact O-N 2.88Å; G202-V204 PolarHBondContact O-N 2.73Å; V204-E206 VanDerWaalsContact C-N 3.31Å; V204-E206 PolarHBondContact O-N 3.19Å; V204-E207 PolarHBondContact O-N 2.71Å; V204-E207 VanDerWaalsContact O-N 3.12Å; V204-V208 HydrophobicContact CG1-CG2 4.47Å; V204-V208 WeakPolarHBondContact O-CG2 3.27Å; V204-V208 PolarHBondContact O-N 3.43Å
205	L	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-52.2	-52.8	175.5	179.5	168.1	0	0	0	110.5	F84 I196 I201 G202 E207 V208 I209 V221	F84-L205 HydrophobicContact CB-CD1 3.55Å; F84-L205 HydrophobicContact CB-CG 4.21Å; F84-L205 HydrophobicContact CD1-CB 4.28Å; F84-L205 HydrophobicContact CD1-CD1 3.87Å; F84-L205 HydrophobicContact CD1-CG 3.72Å; F84-L205 HydrophobicContact CD2-CD1 4.02Å; F84-L205 HydrophobicContact CD2-CD2 4.27Å; F84-L205 HydrophobicContact CD2-CG 3.76Å; F84-L205 HydrophobicContact CE1-CB 4.31Å; F84-L205 HydrophobicContact CE1-CG 3.96Å; F84-L205 HydrophobicContact CE2-CD2 4.42Å; F84-L205 HydrophobicContact CE2-CG 4.01Å; F84-L205 HydrophobicContact CG-CD1 3.53Å; F84-L205 HydrophobicContact CG-CG 3.6Å; F84-L205 HydrophobicContact CZ-CG 4.09Å; I196-L205 HydrophobicContact CG2-CD1 3.88Å; I196-L205 HydrophobicContact CG2-CD2 4.48Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 PolarHBondContact O-N 3.44Å; G202-L205 PolarHBondContact O-N 2.64Å; L205-E207 VanDerWaalsContact C-N 3.26Å; L205-E207 PolarHBondContact O-N 2.72Å; L205-V208 WeakPolarHBondContact O-CB 3.48Å; L205-V208 PolarHBondContact O-N 3.43Å; L205-V208 VanDerWaalsContact O-N 3.1Å; L205-I209 HydrophobicContact CD2-CD1 3.87Å; L205-I209 HydrophobicContact CD2-CG1 4.22Å; L205-I209 WeakPolarHBondContact O-CG1 3.33Å; L205-I209 PolarHBondContact O-N 3.24Å; L205-I209 VanDerWaalsContact O-N 3.08Å; L205-V221 HydrophobicContact CD1-CG1 4.06Å; L205-V221 HydrophobicContact CD2-CB 4.45Å; L205-V221 HydrophobicContact CD2-CG1 3.81Å; L205-V221 HydrophobicContact CD2-CG2 3.72Å; L205-V221 HydrophobicContact CG-CG1 4.49Å
206	E	98.9	Very high	98.7	Very high	40 Å²	40	22.7 Å²	22.7	19%	0.187	12%	0.122	C	C	.	.	H	α-helix	trans	-57	-41.6	179.8	-76.5	-159.4	162.1	0	0	112	G202 V204 I209 R210 Y215 V221 F225	G202-E206 WeakPolarHBondContact O-CB 3.38Å; G202-E206 WeakPolarHBondContact O-CG 3.31Å; G202-E206 PolarHBondContact O-N 3.35Å; V204-E206 VanDerWaalsContact C-N 3.31Å; V204-E206 PolarHBondContact O-N 3.19Å; E206-I209 WeakPolarHBondContact O-CG1 3.49Å; E206-R210 WeakPolarHBondContact O-CB 3.32Å; E206-R210 PolarHBondContact O-N 2.86Å; E206-R210 PolarHBondContact O-NH1 3.41Å; E206-R210 IonicContact OE2-NH2 2.92Å; E206-R210 PolarHBondContact OE2-NH2 3.37Å; E206-Y215 HydrophobicContact CB-CD1 4.25Å; E206-Y215 HydrophobicContact CB-CE1 3.7Å; E206-Y215 VanDerWaalsContact CD-CE1 3.46Å; E206-Y215 HydrophobicContact CG-CD1 4.44Å; E206-Y215 HydrophobicContact CG-CE1 3.47Å; E206-Y215 VanDerWaalsContact CG-CE1 3.47Å; E206-Y215 PolarHBondContact OE1-OH 2.88Å; E206-V221 HydrophobicContact CG-CB 4.41Å; E206-V221 HydrophobicContact CG-CG1 4.42Å; E206-V221 HydrophobicContact CG-CG2 4.26Å; E206-F225 HydrophobicContact CG-CE1 4.12Å; E206-F225 HydrophobicContact CG-CZ 4.39Å
207	E	98.9	Very high	98.7	Very high	21 Å²	21	28.6 Å²	28.6	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-69.4	-34.6	178.7	-172.7	61.7	-160.5	0	0	112.4	K166 V169 D203 V204 L205 R210 Q211	K166-E207 WeakPolarHBondContact CB-OE1 3.48Å; K166-E207 VanDerWaalsContact CG-OE1 3.31Å; K166-E207 WeakPolarHBondContact CG-OE1 3.43Å; V169-E207 HydrophobicContact CB-CB 4.5Å; V169-E207 HydrophobicContact CB-CG 3.92Å; V169-E207 HydrophobicContact CG1-CG 4.2Å; V169-E207 HydrophobicContact CG2-CB 4.03Å; V169-E207 HydrophobicContact CG2-CG 3.91Å; D203-E207 WeakPolarHBondContact O-CB 3.34Å; D203-E207 PolarHBondContact O-N 3.18Å; V204-E207 PolarHBondContact O-N 2.71Å; V204-E207 VanDerWaalsContact O-N 3.12Å; L205-E207 VanDerWaalsContact C-N 3.26Å; L205-E207 PolarHBondContact O-N 2.72Å; E207-R210 VanDerWaalsContact CA-NH1 3.29Å; E207-R210 PolarHBondContact O-N 3.04Å; E207-R210 IonicContact OE2-CZ 2.84Å; E207-R210 IonicContact OE2-NH1 2.74Å; E207-R210 PolarHBondContact OE2-NH1 2.83Å; E207-Q211 HydrophobicContact CG-CG 4.43Å; E207-Q211 WeakPolarHBondContact O-CB 3.5Å; E207-Q211 WeakPolarHBondContact O-CG 3.44Å; E207-Q211 PolarHBondContact O-N 3.02Å; E207-Q211 WeakPolarHBondContact OE1-CG 3.14Å; E207-Q211 PolarHBondContact OE1-NE2 3.1Å
208	V	98.9	Very high	98.7	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-54.4	172.8	174.3	0	0	0	0	110.6	F84 I104 V169 V174 L176 V204 L205 R210 Q211 A212	F84-V208 HydrophobicContact CZ-CB 4.08Å; F84-V208 HydrophobicContact CZ-CG1 3.84Å; I104-V208 HydrophobicContact CD1-CG2 3.84Å; V169-V208 HydrophobicContact CG1-CB 4.41Å; V169-V208 HydrophobicContact CG1-CG2 3.72Å; V169-V208 HydrophobicContact CG2-CG2 4.4Å; V174-V208 HydrophobicContact CG1-CG1 4.22Å; V174-V208 HydrophobicContact CG1-CG2 4.1Å; V174-V208 HydrophobicContact CG2-CG1 4.03Å; V174-V208 HydrophobicContact CG2-CG2 4.14Å; L176-V208 HydrophobicContact CD2-CG1 4.24Å; V204-V208 HydrophobicContact CG1-CG2 4.47Å; V204-V208 WeakPolarHBondContact O-CG2 3.27Å; V204-V208 PolarHBondContact O-N 3.43Å; L205-V208 WeakPolarHBondContact O-CB 3.48Å; L205-V208 PolarHBondContact O-N 3.43Å; L205-V208 VanDerWaalsContact O-N 3.1Å; V208-R210 VanDerWaalsContact C-N 3.3Å; V208-R210 PolarHBondContact O-N 3.4Å; V208-Q211 PolarHBondContact O-N 3.17Å; V208-A212 WeakPolarHBondContact O-CB 3.33Å; V208-A212 PolarHBondContact O-N 3.38Å
209	I	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.9	-26.2	-178	57.7	169.9	0	0	0	112.7	F84 I196 L205 E206 G213 V214 Y215 V219 V221	F84-I209 HydrophobicContact CE2-CG2 3.66Å; F84-I209 HydrophobicContact CZ-CG2 4.31Å; I196-I209 HydrophobicContact CD1-CD1 4.21Å; L205-I209 HydrophobicContact CD2-CD1 3.87Å; L205-I209 HydrophobicContact CD2-CG1 4.22Å; L205-I209 WeakPolarHBondContact O-CG1 3.33Å; L205-I209 PolarHBondContact O-N 3.24Å; L205-I209 VanDerWaalsContact O-N 3.08Å; E206-I209 WeakPolarHBondContact O-CG1 3.49Å; I209-G213 PolarHBondContact O-N 2.97Å; I209-V214 HydrophobicContact CB-CG2 4.02Å; I209-V214 HydrophobicContact CG2-CG2 4.31Å; I209-V214 PolarHBondContact O-N 3.31Å; I209-Y215 HydrophobicContact CD1-CD1 3.92Å; I209-Y215 HydrophobicContact CD1-CD2 3.59Å; I209-Y215 HydrophobicContact CD1-CE1 4.34Å; I209-Y215 HydrophobicContact CD1-CE2 4.02Å; I209-Y215 HydrophobicContact CD1-CG 3.53Å; I209-Y215 HydrophobicContact CG1-CD1 3.98Å; I209-Y215 HydrophobicContact CG1-CD2 4.39Å; I209-Y215 HydrophobicContact CG1-CG 3.82Å; I209-Y215 PolarHBondContact O-N 2.91Å; I209-V219 HydrophobicContact CD1-CG1 4.25Å; I209-V221 HydrophobicContact CD1-CG2 4.17Å
210	R	98.8	Very high	98.7	Very high	108 Å²	108	34.4 Å²	34.4	41%	0.408	19%	0.186	S	C	.	.	H	α-helix	trans	-70	-46.3	173.7	-175.4	-177.3	-61.2	104.7	5.5	111.8	E206 E207 V208 A212 G213 Y215	E206-R210 WeakPolarHBondContact O-CB 3.32Å; E206-R210 PolarHBondContact O-N 2.86Å; E206-R210 PolarHBondContact O-NH1 3.41Å; E206-R210 IonicContact OE2-NH2 2.92Å; E206-R210 PolarHBondContact OE2-NH2 3.37Å; E207-R210 VanDerWaalsContact CA-NH1 3.29Å; E207-R210 PolarHBondContact O-N 3.04Å; E207-R210 IonicContact OE2-CZ 2.84Å; E207-R210 IonicContact OE2-NH1 2.74Å; E207-R210 PolarHBondContact OE2-NH1 2.83Å; V208-R210 VanDerWaalsContact C-N 3.3Å; V208-R210 PolarHBondContact O-N 3.4Å; R210-A212 VanDerWaalsContact C-N 3.28Å; R210-A212 PolarHBondContact O-N 3.36Å; R210-G213 PolarHBondContact O-N 3.01Å; R210-G213 VanDerWaalsContact O-N 3.09Å; R210-Y215 HydrophobicContact CB-CD1 4.39Å
211	Q	98.8	Very high	98.7	Very high	78 Å²	78	34.6 Å²	34.6	36%	0.364	19%	0.186	S	C	.	.	H	α-helix	trans	-66.8	-32	176	-70.7	-174	25.1	0	0	112.2	K166 E207 V208 G213	K166-Q211 PolarHBondContact O-NE2 3.22Å; E207-Q211 HydrophobicContact CG-CG 4.43Å; E207-Q211 WeakPolarHBondContact O-CB 3.5Å; E207-Q211 WeakPolarHBondContact O-CG 3.44Å; E207-Q211 PolarHBondContact O-N 3.02Å; E207-Q211 WeakPolarHBondContact OE1-CG 3.14Å; E207-Q211 PolarHBondContact OE1-NE2 3.1Å; V208-Q211 PolarHBondContact O-N 3.17Å; Q211-G213 PolarHBondContact O-N 3.45Å
212	A	98.7	Very high	98.7	Very high	32 Å²	32	35.4 Å²	35.4	26%	0.264	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.8	172.8	0	0	0	0	0	113.7	L176 Y180 V208 R210 V214	L176-A212 HydrophobicContact CD1-CB 3.77Å; Y180-A212 HydrophobicContact CE2-CB 3.89Å; V208-A212 WeakPolarHBondContact O-CB 3.33Å; V208-A212 PolarHBondContact O-N 3.38Å; R210-A212 VanDerWaalsContact C-N 3.28Å; R210-A212 PolarHBondContact O-N 3.36Å; A212-V214 VanDerWaalsContact C-N 3.33Å; A212-V214 HydrophobicContact CB-CG2 4.05Å; A212-V214 PolarHBondContact O-N 3.5Å
213	G	98.7	Very high	98.7	Very high	52 Å²	52	35.9 Å²	35.9	54%	0.536	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.6	176.7	0	0	0	0	0	115.1	I209 R210 Q211 H216	I209-G213 PolarHBondContact O-N 2.97Å; R210-G213 PolarHBondContact O-N 3.01Å; R210-G213 VanDerWaalsContact O-N 3.09Å; Q211-G213 PolarHBondContact O-N 3.45Å; G213-H216 PolarHBondContact O-CE1 2.89Å
214	V	98.8	Very high	98.6	Very high	3 Å²	3	35 Å²	35	2%	0.018	19%	0.19	C	C	.	.			trans	-118	8.4	-173.2	-64.1	0	0	0	0	113.9	L176 Y180 F184 I209 A212 H216	L176-V214 HydrophobicContact CD1-CG2 4.42Å; Y180-V214 HydrophobicContact CD2-CG1 3.98Å; Y180-V214 HydrophobicContact CD2-CG2 4.17Å; Y180-V214 HydrophobicContact CE2-CG1 3.94Å; Y180-V214 HydrophobicContact CE2-CG2 4.37Å; F184-V214 HydrophobicContact CB-CB 3.64Å; F184-V214 HydrophobicContact CB-CG1 3.87Å; F184-V214 HydrophobicContact CD1-CB 4.33Å; F184-V214 HydrophobicContact CD2-CB 3.72Å; F184-V214 HydrophobicContact CD2-CG1 4.15Å; F184-V214 HydrophobicContact CD2-CG2 3.66Å; F184-V214 HydrophobicContact CE2-CB 4.46Å; F184-V214 HydrophobicContact CE2-CG2 3.93Å; F184-V214 HydrophobicContact CG-CB 3.65Å; F184-V214 HydrophobicContact CG-CG1 4.25Å; F184-V214 HydrophobicContact CG-CG2 4.04Å; I209-V214 HydrophobicContact CB-CG2 4.02Å; I209-V214 HydrophobicContact CG2-CG2 4.31Å; I209-V214 PolarHBondContact O-N 3.31Å; A212-V214 VanDerWaalsContact C-N 3.33Å; A212-V214 HydrophobicContact CB-CG2 4.05Å; A212-V214 PolarHBondContact O-N 3.5Å; V214-H216 PolarHBondContact O-N 3.24Å
215	Y	98.8	Very high	98.6	Very high	66 Å²	66	37.4 Å²	37.4	26%	0.259	20%	0.2	S	C	.	.			trans	-79.1	68.6	171.9	-159.7	178	0	0	0	111.4	E206 I209 R210 V219 V221	E206-Y215 HydrophobicContact CB-CD1 4.25Å; E206-Y215 HydrophobicContact CB-CE1 3.7Å; E206-Y215 VanDerWaalsContact CD-CE1 3.46Å; E206-Y215 HydrophobicContact CG-CD1 4.44Å; E206-Y215 HydrophobicContact CG-CE1 3.47Å; E206-Y215 VanDerWaalsContact CG-CE1 3.47Å; E206-Y215 PolarHBondContact OE1-OH 2.88Å; I209-Y215 HydrophobicContact CD1-CD1 3.92Å; I209-Y215 HydrophobicContact CD1-CD2 3.59Å; I209-Y215 HydrophobicContact CD1-CE1 4.34Å; I209-Y215 HydrophobicContact CD1-CE2 4.02Å; I209-Y215 HydrophobicContact CD1-CG 3.53Å; I209-Y215 HydrophobicContact CG1-CD1 3.98Å; I209-Y215 HydrophobicContact CG1-CD2 4.39Å; I209-Y215 HydrophobicContact CG1-CG 3.82Å; I209-Y215 PolarHBondContact O-N 2.91Å; R210-Y215 HydrophobicContact CB-CD1 4.39Å; Y215-V219 HydrophobicContact CD2-CB 3.96Å; Y215-V219 HydrophobicContact CD2-CG1 4.09Å; Y215-V219 HydrophobicContact CE2-CB 4.08Å; Y215-V219 HydrophobicContact CE2-CG1 4.02Å; Y215-V221 HydrophobicContact CE2-CG2 4.05Å
216	H	98.6	Very high	98.6	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.181	20%	0.2	C	C	.	.			trans	-76.7	160.6	-177.3	-62.3	-45.7	0	0	0	112.5	D185 Q188 G213 V214 N218 V219	D185-H216 IonicContact OD1-CD2 2.72Å; D185-H216 IonicContact OD1-CE1 3.74Å; D185-H216 IonicContact OD1-NE2 3.47Å; D185-H216 PolarHBondContact OD1-NE2 3.27Å; Q188-H216 HydrophobicContact CB-CB 3.92Å; Q188-H216 HydrophobicContact CG-CB 3.79Å; G213-H216 PolarHBondContact O-CE1 2.89Å; V214-H216 PolarHBondContact O-N 3.24Å; H216-N218 WeakPolarHBondContact CB-OD1 3.37Å; H216-N218 PolarHBondContact O-N 2.96Å; H216-N218 VanDerWaalsContact O-N 3.13Å; H216-V219 HydrophobicContact CB-CG2 4.41Å; H216-V219 WeakPolarHBondContact O-CB 3.22Å; H216-V219 PolarHBondContact O-N 2.83Å
217	P	98.3	Very high	98.6	Very high	124 Å²	124	37.9 Å²	37.9	81%	0.805	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22	-179	-26.1	35.6	0	0	0	115.7	V219	P217-V219 PolarHBondContact O-N 2.99Å
218	N	98.5	Very high	98.6	Very high	20 Å²	20	38 Å²	38	11%	0.107	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.5	175.8	70.3	-37.1	0	0	0	113.5	Q188 I192 V194 H216	Q188-N218 PolarHBondContact N-ND2 3.14Å; Q188-N218 PolarHBondContact OE1-OD1 2.71Å; I192-N218 WeakPolarHBondContact O-CB 3.44Å; I192-N218 PolarHBondContact O-ND2 3.26Å; V194-N218 PolarHBondContact N-O 3.15Å; H216-N218 WeakPolarHBondContact CB-OD1 3.37Å; H216-N218 PolarHBondContact O-N 2.96Å; H216-N218 VanDerWaalsContact O-N 3.13Å
219	V	98.7	Very high	98.5	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.5	-179	-176.4	0	0	0	0	110.3	F184 V194 I196 I209 Y215 H216 P217 V221	F184-V219 HydrophobicContact CD1-CG2 4.09Å; F184-V219 HydrophobicContact CE1-CG2 4.16Å; V194-V219 HydrophobicContact CB-CG2 4.2Å; V194-V219 CarbonylContact O-C 3.58Å; V194-V219 WeakPolarHBondContact O-CA 3.49Å; I196-V219 HydrophobicContact CD1-CG1 3.56Å; I196-V219 HydrophobicContact CG1-CG1 3.94Å; I209-V219 HydrophobicContact CD1-CG1 4.25Å; Y215-V219 HydrophobicContact CD2-CB 3.96Å; Y215-V219 HydrophobicContact CD2-CG1 4.09Å; Y215-V219 HydrophobicContact CE2-CB 4.08Å; Y215-V219 HydrophobicContact CE2-CG1 4.02Å; H216-V219 HydrophobicContact CB-CG2 4.41Å; H216-V219 WeakPolarHBondContact O-CB 3.22Å; H216-V219 PolarHBondContact O-N 2.83Å; P217-V219 PolarHBondContact O-N 2.99Å; V219-V221 HydrophobicContact CG1-CG2 4.34Å
220	K	98.2	Very high	98.5	Very high	99 Å²	99	50.4 Å²	50.4	43%	0.43	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.7	170.9	179.6	65.2	178	-179.9	0	109.3	V194 F195 I196 Y257	V194-K220 PolarHBondContact O-N 2.84Å; F195-K220 HydrophobicContact CD2-CB 4.21Å; F195-K220 HydrophobicContact CD2-CG 3.93Å; F195-K220 HydrophobicContact CE2-CG 4.16Å; I196-K220 PolarHBondContact N-O 2.82Å; K220-Y257 HydrophobicContact CB-CE2 3.86Å; K220-Y257 HydrophobicContact CG-CD2 4.21Å; K220-Y257 HydrophobicContact CG-CE2 3.95Å
221	V	98.4	Very high	98.4	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.5	175.2	-179	0	0	0	0	110.4	I196 L205 E206 I209 Y215 V219 F225	I196-V221 HydrophobicContact CB-CG2 4.42Å; I196-V221 WeakPolarHBondContact O-CA 3.3Å; L205-V221 HydrophobicContact CD1-CG1 4.06Å; L205-V221 HydrophobicContact CD2-CB 4.45Å; L205-V221 HydrophobicContact CD2-CG1 3.81Å; L205-V221 HydrophobicContact CD2-CG2 3.72Å; L205-V221 HydrophobicContact CG-CG1 4.49Å; E206-V221 HydrophobicContact CG-CB 4.41Å; E206-V221 HydrophobicContact CG-CG1 4.42Å; E206-V221 HydrophobicContact CG-CG2 4.26Å; I209-V221 HydrophobicContact CD1-CG2 4.17Å; Y215-V221 HydrophobicContact CE2-CG2 4.05Å; V219-V221 HydrophobicContact CG1-CG2 4.34Å; V221-F225 HydrophobicContact CB-CZ 4.27Å; V221-F225 HydrophobicContact CG1-CE2 4.37Å; V221-F225 HydrophobicContact CG1-CZ 3.9Å
222	V	98	Very high	98.4	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.109	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.5	167.4	175	0	0	0	0	108.1	F195 I196 F197 S198 I242	F195-V222 HydrophobicContact CD2-CG2 4.43Å; F195-V222 HydrophobicContact CE2-CB 4.18Å; F195-V222 HydrophobicContact CE2-CG2 3.37Å; F195-V222 HydrophobicContact CZ-CB 3.81Å; F195-V222 HydrophobicContact CZ-CG1 4.43Å; F195-V222 HydrophobicContact CZ-CG2 3.43Å; F195-V222 VanDerWaalsContact CZ-CG2 3.43Å; I196-V222 PolarHBondContact O-N 3.24Å; F197-V222 WeakPolarHBondContact CA-O 3.28Å; F197-V222 HydrophobicContact CD1-CB 4.07Å; F197-V222 HydrophobicContact CD1-CG1 3.8Å; F197-V222 HydrophobicContact CE1-CG1 3.84Å; S198-V222 PolarHBondContact N-O 3.41Å; V222-I242 HydrophobicContact CG1-CD1 3.93Å
223	S	98.3	Very high	98.3	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	-176.4	-176.5	-165.5	0	0	0	0	111.1	S198 G200 F225	S198-S223 VanDerWaalsContact O-CA 3.23Å; S198-S223 WeakPolarHBondContact O-CA 3.4Å; S198-S223 VanDerWaalsContact O-CB 3.32Å; S198-S223 WeakPolarHBondContact O-CB 3.34Å; S198-S223 PolarHBondContact O-OG 3.3Å; G200-S223 PolarHBondContact O-OG 3.28Å; S223-F225 WeakPolarHBondContact O-CD2 3.49Å; S223-F225 PolarHBondContact O-N 3.47Å; S223-F225 VanDerWaalsContact O-N 3.1Å
224	N	98.5	Very high	98.3	Very high	2 Å²	2	46 Å²	46	1%	0.011	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	93.5	173.3	-55.9	-65	0	0	0	109.5	A199 G200 G202 F237 I242	A199-N224 PolarHBondContact O-ND2 3.28Å; G200-N224 WeakPolarHBondContact O-CB 3.24Å; G200-N224 PolarHBondContact O-ND2 3.28Å; G202-N224 PolarHBondContact N-O 3.42Å; N224-F237 HydrophobicContact CB-CD1 3.9Å; N224-F237 HydrophobicContact CB-CE1 4.39Å; N224-I242 PolarHBondContact ND2-O 3.14Å; N224-I242 PolarHBondContact OD1-N 3.44Å; N224-I242 PolarHBondContact OD1-O 3.25Å
225	F	98.7	Very high	98.3	Very high	49 Å²	49	51.3 Å²	51.3	22%	0.215	27%	0.268	C	S	.	.			trans	-78.4	136.9	176.3	-76.2	-85.4	0	0	0	111.2	D203 E206 V221 S223 F237 K238	D203-F225 WeakPolarHBondContact OD2-CA 3.34Å; E206-F225 HydrophobicContact CG-CE1 4.12Å; E206-F225 HydrophobicContact CG-CZ 4.39Å; V221-F225 HydrophobicContact CB-CZ 4.27Å; V221-F225 HydrophobicContact CG1-CE2 4.37Å; V221-F225 HydrophobicContact CG1-CZ 3.9Å; S223-F225 WeakPolarHBondContact O-CD2 3.49Å; S223-F225 PolarHBondContact O-N 3.47Å; S223-F225 VanDerWaalsContact O-N 3.1Å; F225-F237 CarbonylContact O-C 3.53Å; F225-F237 WeakPolarHBondContact O-CA 3.47Å; F225-K238 HydrophobicContact CB-CD 4.42Å; F225-K238 PolarHBondContact O-N 3.17Å
226	M	98.7	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.9	175.9	-72.5	178.2	165.9	0	0	110.8	I105 L165 I201 D203 F228 L234 F237 K238	I105-M226 HydrophobicContact CG1-CE 4.29Å; L165-M226 HydrophobicContact CD1-SD 4.35Å; L165-M226 HydrophobicContact CD2-SD 4.38Å; I201-M226 HydrophobicContact CD1-CE 4.03Å; I201-M226 HydrophobicContact CG2-CE 3.68Å; I201-M226 HydrophobicContact CG2-CG 4.07Å; I201-M226 HydrophobicContact CG2-SD 4.18Å; D203-M226 WeakPolarHBondContact OD2-CB 3.41Å; D203-M226 PolarHBondContact OD2-N 3.12Å; M226-F228 HydrophobicContact CB-CD2 4.25Å; M226-F228 HydrophobicContact CB-CE1 4.37Å; M226-F228 HydrophobicContact CB-CE2 3.44Å; M226-F228 VanDerWaalsContact CB-CE2 3.44Å; M226-F228 HydrophobicContact CB-CZ 3.51Å; M226-F228 HydrophobicContact CG-CZ 4.23Å; M226-F228 HydrophobicContact SD-CE1 4.37Å; M226-F228 HydrophobicContact SD-CZ 3.73Å; M226-L234 HydrophobicContact CB-CD1 3.59Å; M226-L234 HydrophobicContact CE-CD2 4.17Å; M226-L234 HydrophobicContact CG-CD1 3.59Å; M226-L234 HydrophobicContact SD-CD1 4Å; M226-F237 HydrophobicContact CE-CE1 4.48Å; M226-F237 HydrophobicContact CE-CZ 4.14Å; M226-F237 HydrophobicContact CG-CD1 4.29Å; M226-F237 HydrophobicContact CG-CE1 3.71Å; M226-F237 HydrophobicContact CG-CZ 3.99Å; M226-K238 VanDerWaalsContact O-CE 3.24Å; M226-K238 WeakPolarHBondContact O-CE 3.47Å
227	D	98.6	Very high	98.3	Very high	51 Å²	51	49.2 Å²	49.2	27%	0.273	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.3	168.7	-161.4	21.7	0	0	0	109.9	K235 G236 K238	D227-K235 HydrophobicContact CB-CG 4.43Å; D227-K235 WeakPolarHBondContact O-CG 3.45Å; D227-K235 PolarHBondContact O-N 3.1Å; D227-K235 WeakPolarHBondContact OD2-CE 3.33Å; D227-K235 IonicContact OD2-NZ 2.71Å; D227-K235 PolarHBondContact OD2-NZ 3.28Å; D227-G236 PolarHBondContact N-O 3.29Å; D227-G236 PolarHBondContact O-N 3.05Å; D227-K238 HydrophobicContact CB-CG 3.75Å; D227-K238 WeakPolarHBondContact OD1-CE 3.35Å
228	F	98.5	Very high	98.2	Very high	23 Å²	23	48.5 Å²	48.5	10%	0.101	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.2	-175.9	-61.7	-84.9	0	0	0	109.8	K162 L165 M226 G232 V233 L234 K235	K162-F228 HydrophobicContact CB-CD1 3.68Å; K162-F228 HydrophobicContact CB-CD2 4.18Å; K162-F228 HydrophobicContact CB-CE1 3.55Å; K162-F228 HydrophobicContact CB-CE2 4.03Å; K162-F228 HydrophobicContact CB-CG 4Å; K162-F228 HydrophobicContact CB-CZ 3.73Å; K162-F228 HydrophobicContact CD-CD2 3.73Å; K162-F228 HydrophobicContact CD-CE2 3.77Å; K162-F228 HydrophobicContact CD-CG 4.23Å; K162-F228 HydrophobicContact CD-CZ 4.31Å; K162-F228 HydrophobicContact CG-CD1 4.43Å; K162-F228 HydrophobicContact CG-CD2 4.09Å; K162-F228 HydrophobicContact CG-CE1 4.13Å; K162-F228 HydrophobicContact CG-CE2 3.73Å; K162-F228 HydrophobicContact CG-CG 4.42Å; K162-F228 HydrophobicContact CG-CZ 3.76Å; L165-F228 HydrophobicContact CD1-CZ 4.08Å; M226-F228 HydrophobicContact CB-CD2 4.25Å; M226-F228 HydrophobicContact CB-CE1 4.37Å; M226-F228 HydrophobicContact CB-CE2 3.44Å; M226-F228 VanDerWaalsContact CB-CE2 3.44Å; M226-F228 HydrophobicContact CB-CZ 3.51Å; M226-F228 HydrophobicContact CG-CZ 4.23Å; M226-F228 HydrophobicContact SD-CE1 4.37Å; M226-F228 HydrophobicContact SD-CZ 3.73Å; F228-G232 WeakPolarHBondContact CD1-O 3.43Å; F228-V233 CarbonylContact C-O 2.95Å; F228-V233 VanDerWaalsContact CA-O 3.26Å; F228-V233 WeakPolarHBondContact CA-O 3.41Å; F228-L234 HydrophobicContact CD1-CB 4.3Å; F228-L234 HydrophobicContact CE1-CB 4.12Å; F228-L234 HydrophobicContact CE1-CD1 4.42Å; F228-K235 WeakPolarHBondContact O-CE 2.8Å
229	D	98.1	Very high	98	Very high	60 Å²	60	51.3 Å²	51.3	32%	0.321	28%	0.283	S	S	.	.			trans	-75.4	-179.4	171.3	69.7	21	0	0	0	112.3	T231 G232 V233 K235	D229-T231 PolarHBondContact O-N 2.7Å; D229-T231 VanDerWaalsContact O-N 3.16Å; D229-T231 WeakPolarHBondContact OD1-CA 3Å; D229-T231 WeakPolarHBondContact OD1-CB 3.46Å; D229-T231 PolarHBondContact OD1-N 2.83Å; D229-T231 PolarHBondContact OD1-OG1 2.62Å; D229-T231 PolarHBondContact OD2-OG1 2.8Å; D229-G232 PolarHBondContact O-N 3.07Å; D229-G232 PolarHBondContact OD1-N 2.62Å; D229-G232 VanDerWaalsContact OD1-N 3.07Å; D229-V233 PolarHBondContact N-O 2.83Å; D229-V233 PolarHBondContact OD1-N 3.1Å; D229-K235 HydrophobicContact CB-CD 4.02Å
230	E	97.4	Very high	97.8	Very high	208 Å²	208	56.8 Å²	56.8	97%	0.972	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.7	-179.7	-61.9	179.7	-175.4	0	0	113.2
231	T	97.1	Very high	97.8	Very high	114 Å²	114	54.1 Å²	54.1	70%	0.699	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.7	177.5	73.5	0	0	0	0	112.9	D229	D229-T231 PolarHBondContact O-N 2.7Å; D229-T231 VanDerWaalsContact O-N 3.16Å; D229-T231 WeakPolarHBondContact OD1-CA 3Å; D229-T231 WeakPolarHBondContact OD1-CB 3.46Å; D229-T231 PolarHBondContact OD1-N 2.83Å; D229-T231 PolarHBondContact OD1-OG1 2.62Å; D229-T231 PolarHBondContact OD2-OG1 2.8Å
232	G	97.9	Very high	97.7	Very high	23 Å²	23	54.6 Å²	54.6	24%	0.237	30%	0.3	C	S	.	.	S	Bend	trans	81.4	21.5	-178.8	0	0	0	0	0	113.9	P161 K162 F228 D229	P161-G232 WeakPolarHBondContact CA-O 3.49Å; K162-G232 PolarHBondContact N-O 3.22Å; F228-G232 WeakPolarHBondContact CD1-O 3.43Å; D229-G232 PolarHBondContact O-N 3.07Å; D229-G232 PolarHBondContact OD1-N 2.62Å; D229-G232 VanDerWaalsContact OD1-N 3.07Å
233	V	98.4	Very high	97.6	Very high	37 Å²	37	53.7 Å²	53.7	22%	0.224	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-98.5	138.8	177.3	174.1	0	0	0	0	110.4	A159 F228 D229 K235	A159-V233 HydrophobicContact CB-CG1 3.75Å; F228-V233 CarbonylContact C-O 2.95Å; F228-V233 VanDerWaalsContact CA-O 3.26Å; F228-V233 WeakPolarHBondContact CA-O 3.41Å; D229-V233 PolarHBondContact N-O 2.83Å; D229-V233 PolarHBondContact OD1-N 3.1Å; V233-K235 PolarHBondContact O-N 3.08Å
234	L	98.6	Very high	97.4	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	121.2	179.4	178.4	68.3	0	0	0	110.6	L155 V156 L160 M226 F228 G236	L155-L234 HydrophobicContact CB-CD2 4.13Å; V156-L234 HydrophobicContact CG2-CD2 4.27Å; V156-L234 HydrophobicContact CG2-CG 4.13Å; L160-L234 HydrophobicContact CB-CB 4.07Å; L160-L234 HydrophobicContact CB-CD2 4.28Å; L160-L234 HydrophobicContact CD1-CD2 3.96Å; L160-L234 HydrophobicContact CG-CD2 4.46Å; L160-L234 WeakPolarHBondContact O-CB 3.48Å; L160-L234 PolarHBondContact O-N 3.48Å; M226-L234 HydrophobicContact CB-CD1 3.59Å; M226-L234 HydrophobicContact CE-CD2 4.17Å; M226-L234 HydrophobicContact CG-CD1 3.59Å; M226-L234 HydrophobicContact SD-CD1 4Å; F228-L234 HydrophobicContact CD1-CB 4.3Å; F228-L234 HydrophobicContact CE1-CB 4.12Å; F228-L234 HydrophobicContact CE1-CD1 4.42Å; L234-G236 WeakPolarHBondContact CD1-O 3.44Å
235	K	98.4	Very high	97.1	Very high	113 Å²	113	55.2 Å²	55.2	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-14.8	176.6	67	174.1	-175.5	-172.7	0	113.8	D227 F228 D229 V233	D227-K235 HydrophobicContact CB-CG 4.43Å; D227-K235 WeakPolarHBondContact O-CG 3.45Å; D227-K235 PolarHBondContact O-N 3.1Å; D227-K235 WeakPolarHBondContact OD2-CE 3.33Å; D227-K235 IonicContact OD2-NZ 2.71Å; D227-K235 PolarHBondContact OD2-NZ 3.28Å; F228-K235 WeakPolarHBondContact O-CE 2.8Å; D229-K235 HydrophobicContact CB-CD 4.02Å; V233-K235 PolarHBondContact O-N 3.08Å
236	G	98.3	Very high	96.9	Very high	18 Å²	18	53.3 Å²	53.3	19%	0.186	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-160.9	-177.6	0	0	0	0	0	112.8	D227 L234	D227-G236 PolarHBondContact N-O 3.29Å; D227-G236 PolarHBondContact O-N 3.05Å; L234-G236 WeakPolarHBondContact CD1-O 3.44Å
237	F	98.4	Very high	96.6	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.189	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.4	175.5	-73.8	-100.1	0	0	0	109.3	H152 I201 N224 F225 M226	H152-F237 HydrophobicContact CB-CD2 3.74Å; H152-F237 HydrophobicContact CB-CE2 3.51Å; H152-F237 HydrophobicContact CB-CZ 4.36Å; H152-F237 AromaticContact CD2-CE2 3.56Å; H152-F237 AromaticContact CD2-CZ 3.49Å; H152-F237 VanDerWaalsContact CD2-CZ 3.49Å; H152-F237 WeakPolarHBondContact CD2-CZ 3.25Å; H152-F237 AromaticContact CG-CD2 3.66Å; H152-F237 AromaticContact CG-CE2 3.42Å; H152-F237 VanDerWaalsContact CG-CE2 3.42Å; H152-F237 AromaticContact CG-CZ 3.86Å; H152-F237 AromaticContact ND1-CD2 3.71Å; H152-F237 AromaticContact ND1-CE2 3.92Å; H152-F237 AromaticContact ND1-CG 3.95Å; H152-F237 AromaticContact NE2-CE1 3.79Å; H152-F237 AromaticContact NE2-CZ 3.72Å; I201-F237 HydrophobicContact CG1-CE1 4.26Å; I201-F237 HydrophobicContact CG2-CE1 4.29Å; N224-F237 HydrophobicContact CB-CD1 3.9Å; N224-F237 HydrophobicContact CB-CE1 4.39Å; F225-F237 CarbonylContact O-C 3.53Å; F225-F237 WeakPolarHBondContact O-CA 3.47Å; M226-F237 HydrophobicContact CE-CE1 4.48Å; M226-F237 HydrophobicContact CE-CZ 4.14Å; M226-F237 HydrophobicContact CG-CD1 4.29Å; M226-F237 HydrophobicContact CG-CE1 3.71Å; M226-F237 HydrophobicContact CG-CZ 3.99Å
238	K	97	Very high	96.2	Very high	109 Å²	109	53.6 Å²	53.6	47%	0.474	29%	0.293	S	S	.	.			trans	-85.4	148.6	-173.9	-62.7	179.3	-179.8	169.5	0	111.6	F225 M226 D227	F225-K238 HydrophobicContact CB-CD 4.42Å; F225-K238 PolarHBondContact O-N 3.17Å; M226-K238 VanDerWaalsContact O-CE 3.24Å; M226-K238 WeakPolarHBondContact O-CE 3.47Å; D227-K238 HydrophobicContact CB-CG 3.75Å; D227-K238 WeakPolarHBondContact OD1-CE 3.35Å
239	G	94.2	Very high	95.6	Very high	79 Å²	79	55 Å²	55	81%	0.814	30%	0.302	S	S	*	.	S	Bend	trans	67.1	-152.5	174.5	0	0	0	0	0	112
240	E	94.6	Very high	94.8	Very high	126 Å²	126	52.6 Å²	52.6	59%	0.589	29%	0.291	S	S	*	.	S	Bend	trans	-96	145.5	176.8	-64.3	-175.2	-147.3	0	0	110.7	I242 R253	E240-I242 PolarHBondContact O-N 2.8Å; E240-R253 IonicContact OE1-CZ 3.58Å; E240-R253 IonicContact OE1-NH1 2.7Å; E240-R253 PolarHBondContact OE1-NH1 3.42Å; E240-R253 IonicContact OE2-CZ 2.82Å; E240-R253 IonicContact OE2-NH1 2.68Å; E240-R253 PolarHBondContact OE2-NH1 3.48Å; E240-R253 IonicContact OE2-NH2 3.92Å; E240-R253 PolarHBondContact OE2-NH2 3.13Å
241	L	96.9	Very high	94.1	Very high	43 Å²	43	42.7 Å²	42.7	23%	0.225	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-58	130.4	179.4	173.4	66.4	0	0	0	111.2	V145 Y148 N246	V145-L241 HydrophobicContact CG1-CD2 4.43Å; Y148-L241 HydrophobicContact CD1-CD1 3.83Å; Y148-L241 HydrophobicContact CG-CD1 4.02Å; Y148-L241 HydrophobicContact CG-CD2 4.48Å; L241-N246 PolarHBondContact O-ND2 2.76Å
242	I	97.4	Very high	93.2	Very high	17 Å²	17	41 Å²	41	9%	0.087	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-101.7	122.6	165.2	-59.6	155.3	0	0	0	107.7	F197 A199 V222 N224 E240 N246 K247	F197-I242 HydrophobicContact CD1-CG2 4.48Å; F197-I242 HydrophobicContact CE1-CD1 3.84Å; F197-I242 HydrophobicContact CE1-CG1 4.14Å; F197-I242 HydrophobicContact CE1-CG2 3.77Å; F197-I242 HydrophobicContact CZ-CG2 4.41Å; A199-I242 HydrophobicContact CB-CG2 4.23Å; V222-I242 HydrophobicContact CG1-CD1 3.93Å; N224-I242 PolarHBondContact ND2-O 3.14Å; N224-I242 PolarHBondContact OD1-N 3.44Å; N224-I242 PolarHBondContact OD1-O 3.25Å; E240-I242 PolarHBondContact O-N 2.8Å; I242-N246 WeakPolarHBondContact CA-OD1 3.36Å; I242-K247 HydrophobicContact CG2-CG 4.35Å
243	H	96.1	Very high	92.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.			trans	-127	174.1	170.6	64.1	83.9	0	0	0	109.9	Y141 M144 Y148 F245 N246	Y141-H243 AromaticContact CD2-CE1 3.62Å; Y141-H243 AromaticContact CE1-NE2 3.57Å; Y141-H243 AromaticContact CE2-CE1 3.48Å; Y141-H243 VanDerWaalsContact CE2-CE1 3.48Å; Y141-H243 WeakPolarHBondContact CE2-CE1 3.3Å; Y141-H243 AromaticContact CE2-NE2 3.58Å; Y141-H243 AromaticContact CG-CE1 3.97Å; Y141-H243 AromaticContact CZ-CE1 3.7Å; Y141-H243 AromaticContact CZ-NE2 3.29Å; Y141-H243 VanDerWaalsContact CZ-NE2 3.29Å; M144-H243 HydrophobicContact CB-CB 4.19Å; M144-H243 WeakPolarHBondContact CB-ND1 3.37Å; Y148-H243 HydrophobicContact CD2-CB 3.96Å; Y148-H243 HydrophobicContact CE2-CB 3.86Å; Y148-H243 HydrophobicContact CG-CB 4.36Å; H243-F245 PolarHBondContact ND1-N 3.5Å; H243-F245 PolarHBondContact O-N 2.86Å; H243-N246 VanDerWaalsContact CD2-CG 3.5Å; H243-N246 PolarHBondContact CD2-ND2 3.15Å; H243-N246 PolarHBondContact N-OD1 2.9Å; H243-N246 PolarHBondContact O-N 3.47Å; H243-N246 PolarHBondContact O-OD1 3.28Å
244	V	92.9	Very high	92.1	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.2	-172.8	64.3	0	0	0	0	114.7	E130 M144 G275	E130-V244 HydrophobicContact CG-CG1 4.11Å; M144-V244 HydrophobicContact CG-CG1 3.99Å; M144-V244 HydrophobicContact SD-CG1 3.94Å; V244-G275 VanDerWaalsContact O-CA 3.32Å; V244-G275 WeakPolarHBondContact O-CA 3.45Å
245	F	92.7	Very high	91.1	Very high	31 Å²	31	48.3 Å²	48.3	14%	0.136	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-1.8	-173.6	-59.7	-49	0	0	0	115.8	E130 V137 K140 Y141 M144 H243	E130-F245 HydrophobicContact CG-CE2 4.33Å; E130-F245 HydrophobicContact CG-CZ 4.09Å; V137-F245 HydrophobicContact CG1-CB 3.79Å; V137-F245 HydrophobicContact CG1-CD1 3.84Å; V137-F245 HydrophobicContact CG1-CG 3.81Å; V137-F245 HydrophobicContact CG2-CD1 4.43Å; K140-F245 HydrophobicContact CB-CD2 3.97Å; K140-F245 HydrophobicContact CB-CE2 3.57Å; K140-F245 HydrophobicContact CB-CZ 4.41Å; K140-F245 HydrophobicContact CD-CE2 3.82Å; K140-F245 HydrophobicContact CD-CZ 3.84Å; K140-F245 HydrophobicContact CG-CE2 4.34Å; Y141-F245 HydrophobicContact CD2-CB 4.33Å; M144-F245 HydrophobicContact CG-CD2 3.55Å; M144-F245 HydrophobicContact CG-CE2 3.66Å; M144-F245 HydrophobicContact SD-CE2 4.25Å; H243-F245 PolarHBondContact ND1-N 3.5Å; H243-F245 PolarHBondContact O-N 2.86Å
246	N	94.1	Very high	90.5	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.048	27%	0.265	C	S	.	.			trans	-115.7	16.8	-178.7	78.8	-14.7	0	0	0	113.9	Y141 L241 I242 H243 H248 D249 G250	Y141-N246 HydrophobicContact CE2-CB 3.61Å; Y141-N246 VanDerWaalsContact OH-CB 3.31Å; Y141-N246 WeakPolarHBondContact OH-CB 3.33Å; L241-N246 PolarHBondContact O-ND2 2.76Å; I242-N246 WeakPolarHBondContact CA-OD1 3.36Å; H243-N246 VanDerWaalsContact CD2-CG 3.5Å; H243-N246 PolarHBondContact CD2-ND2 3.15Å; H243-N246 PolarHBondContact N-OD1 2.9Å; H243-N246 PolarHBondContact O-N 3.47Å; H243-N246 PolarHBondContact O-OD1 3.28Å; N246-H248 PolarHBondContact O-N 3.11Å; N246-H248 VanDerWaalsContact O-N 3.14Å; N246-D249 PolarHBondContact O-N 3.48Å; N246-G250 PolarHBondContact O-N 2.92Å
247	K	92.9	Very high	90.1	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-27.6	176.1	-65.8	-162.2	-179.2	-174.6	0	112.6	D83 F197 I242 D249 G250 A251 D276 M279	D83-K247 VanDerWaalsContact CG-NZ 3.32Å; D83-K247 IonicContact OD1-NZ 2.89Å; D83-K247 PolarHBondContact OD1-NZ 3.16Å; F197-K247 HydrophobicContact CD2-CB 4.31Å; F197-K247 HydrophobicContact CD2-CD 4.39Å; F197-K247 HydrophobicContact CE2-CB 3.68Å; F197-K247 HydrophobicContact CE2-CD 4.48Å; F197-K247 HydrophobicContact CE2-CG 4.22Å; F197-K247 WeakPolarHBondContact CE2-O 3.47Å; F197-K247 HydrophobicContact CZ-CB 3.9Å; F197-K247 HydrophobicContact CZ-CG 4.16Å; F197-K247 VanDerWaalsContact CZ-O 3.32Å; F197-K247 WeakPolarHBondContact CZ-O 3.4Å; F197-K247 WeakPolarHBondContact O-CE 3.37Å; F197-K247 PolarHBondContact O-NZ 3.44Å; I242-K247 HydrophobicContact CG2-CG 4.35Å; K247-D249 VanDerWaalsContact C-N 3.33Å; K247-D249 PolarHBondContact O-N 3Å; K247-G250 PolarHBondContact O-N 2.99Å; K247-A251 WeakPolarHBondContact O-CB 3.47Å; K247-A251 PolarHBondContact O-N 2.67Å; K247-D276 WeakPolarHBondContact CD-OD1 3.32Å; K247-D276 VanDerWaalsContact CE-OD1 3.28Å; K247-D276 WeakPolarHBondContact CE-OD1 3.42Å; K247-D276 IonicContact NZ-OD1 3.02Å; K247-D276 PolarHBondContact NZ-OD1 2.83Å; K247-M279 HydrophobicContact CB-CG 4.06Å; K247-M279 HydrophobicContact CD-CG 3.5Å; K247-M279 HydrophobicContact CD-SD 3.67Å; K247-M279 HydrophobicContact CG-CG 4.42Å; K247-M279 PolarHBondContact NZ-SD 3.4Å
248	H	90.9	Very high	89.6	Confident	55 Å²	55	48.7 Å²	48.7	26%	0.255	25%	0.254	S	S	.	.	H	α-helix	trans	-49.8	-52	168.8	175.5	61.2	0	0	0	112.6	N246 G250 A251 L252 R278 D281	N246-H248 PolarHBondContact O-N 3.11Å; N246-H248 VanDerWaalsContact O-N 3.14Å; H248-G250 PolarHBondContact O-N 2.75Å; H248-A251 WeakPolarHBondContact O-CB 3.4Å; H248-A251 PolarHBondContact O-N 3.1Å; H248-L252 VanDerWaalsContact CE1-CD1 3.48Å; H248-L252 WeakPolarHBondContact CE1-CD1 3.43Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.44Å; H248-L252 WeakPolarHBondContact O-CG 3.38Å; H248-L252 PolarHBondContact O-N 2.97Å; H248-L252 VanDerWaalsContact O-N 3.1Å; H248-R278 HydrophobicContact CB-CB 4.05Å; H248-R278 PolarHBondContact ND1-NH2 3.45Å; H248-R278 VanDerWaalsContact ND1-NH2 3.1Å; H248-D281 IonicContact CE1-OD2 2.67Å; H248-D281 IonicContact CG-OD2 3.81Å; H248-D281 WeakPolarHBondContact ND1-CB 3.06Å; H248-D281 IonicContact ND1-OD2 3.6Å; H248-D281 PolarHBondContact ND1-OD2 3.4Å
249	D	85.1	Confident	89.2	Confident	54 Å²	54	48 Å²	48	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-39.9	-174.9	-57.8	-23	0	0	0	111.5	N246 K247 L252 R253	N246-D249 PolarHBondContact O-N 3.48Å; K247-D249 VanDerWaalsContact C-N 3.33Å; K247-D249 PolarHBondContact O-N 3Å; D249-L252 PolarHBondContact O-N 3.19Å; D249-R253 WeakPolarHBondContact O-CG 3.22Å; D249-R253 PolarHBondContact O-N 3Å; D249-R253 VanDerWaalsContact O-N 3.16Å; D249-R253 PolarHBondContact O-NE 2.81Å; D249-R253 VanDerWaalsContact O-NE 3.12Å
250	G	82.2	Confident	89	Confident	9 Å²	9	50.7 Å²	50.7	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-34.7	176.2	0	0	0	0	0	112.3	N246 K247 H248 L252 R253 N254	N246-G250 PolarHBondContact O-N 2.92Å; K247-G250 PolarHBondContact O-N 2.99Å; H248-G250 PolarHBondContact O-N 2.75Å; G250-L252 PolarHBondContact O-N 2.78Å; G250-R253 PolarHBondContact O-N 3.41Å; G250-N254 PolarHBondContact O-N 2.83Å; G250-N254 PolarHBondContact O-ND2 2.91Å
251	A	81.2	Confident	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-45.3	173.7	0	0	0	0	0	111.1	F197 K247 H248 R253 N254 F258 D281	F197-A251 HydrophobicContact CE2-CB 4.12Å; K247-A251 WeakPolarHBondContact O-CB 3.47Å; K247-A251 PolarHBondContact O-N 2.67Å; H248-A251 WeakPolarHBondContact O-CB 3.4Å; H248-A251 PolarHBondContact O-N 3.1Å; A251-R253 VanDerWaalsContact C-N 3.27Å; A251-R253 PolarHBondContact O-N 3.33Å; A251-N254 PolarHBondContact O-N 3.4Å; A251-N254 VanDerWaalsContact O-N 3.17Å; A251-F258 WeakPolarHBondContact O-CE2 3.22Å; A251-D281 HydrophobicContact CB-CB 4.43Å
252	L	79.9	Confident	88.6	Confident	78 Å²	78	49.6 Å²	49.6	41%	0.408	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-26	178.1	-67	-178.7	0	0	0	113.8	H248 D249 G250 N254 T255	H248-L252 VanDerWaalsContact CE1-CD1 3.48Å; H248-L252 WeakPolarHBondContact CE1-CD1 3.43Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.44Å; H248-L252 WeakPolarHBondContact O-CG 3.38Å; H248-L252 PolarHBondContact O-N 2.97Å; H248-L252 VanDerWaalsContact O-N 3.1Å; D249-L252 PolarHBondContact O-N 3.19Å; G250-L252 PolarHBondContact O-N 2.78Å; L252-N254 VanDerWaalsContact C-N 3.32Å; L252-T255 WeakPolarHBondContact O-CG2 3.39Å; L252-T255 PolarHBondContact O-OG1 3.35Å
253	R	86.9	Confident	88.5	Confident	118 Å²	118	54.2 Å²	54.2	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-78.2	-17.3	175.6	-74.9	175.9	-119.3	-173.6	-14.9	114.1	E240 D249 G250 A251 T255	E240-R253 IonicContact OE1-CZ 3.58Å; E240-R253 IonicContact OE1-NH1 2.7Å; E240-R253 PolarHBondContact OE1-NH1 3.42Å; E240-R253 IonicContact OE2-CZ 2.82Å; E240-R253 IonicContact OE2-NH1 2.68Å; E240-R253 PolarHBondContact OE2-NH1 3.48Å; E240-R253 IonicContact OE2-NH2 3.92Å; E240-R253 PolarHBondContact OE2-NH2 3.13Å; D249-R253 WeakPolarHBondContact O-CG 3.22Å; D249-R253 PolarHBondContact O-N 3Å; D249-R253 VanDerWaalsContact O-N 3.16Å; D249-R253 PolarHBondContact O-NE 2.81Å; D249-R253 VanDerWaalsContact O-NE 3.12Å; G250-R253 PolarHBondContact O-N 3.41Å; A251-R253 VanDerWaalsContact C-N 3.27Å; A251-R253 PolarHBondContact O-N 3.33Å; R253-T255 VanDerWaalsContact C-N 3.29Å
254	N	85.2	Confident	88.5	Confident	36 Å²	36	55.2 Å²	55.2	19%	0.193	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	26.4	176.4	-71.8	-82.6	0	0	0	112	F195 G250 A251 L252 E256 Y257 F258	F195-N254 HydrophobicContact CE2-CB 4.38Å; F195-N254 HydrophobicContact CZ-CB 4.13Å; G250-N254 PolarHBondContact O-N 2.83Å; G250-N254 PolarHBondContact O-ND2 2.91Å; A251-N254 PolarHBondContact O-N 3.4Å; A251-N254 VanDerWaalsContact O-N 3.17Å; L252-N254 VanDerWaalsContact C-N 3.32Å; N254-E256 PolarHBondContact O-N 2.99Å; N254-Y257 WeakPolarHBondContact O-CB 3.44Å; N254-Y257 PolarHBondContact O-N 2.98Å; N254-Y257 VanDerWaalsContact O-N 3.07Å; N254-F258 HydrophobicContact CB-CD2 4.31Å; N254-F258 HydrophobicContact CB-CE2 4Å; N254-F258 WeakPolarHBondContact O-CD2 3.48Å; N254-F258 PolarHBondContact O-N 2.97Å; N254-F258 VanDerWaalsContact O-N 3.1Å
255	T	78.5	Confident	88.7	Confident	63 Å²	63	55 Å²	55	39%	0.387	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-33.4	178.4	39.2	0	0	0	0	112.9	L252 R253 Y257 F258 N259	L252-T255 WeakPolarHBondContact O-CG2 3.39Å; L252-T255 PolarHBondContact O-OG1 3.35Å; R253-T255 VanDerWaalsContact C-N 3.29Å; T255-Y257 PolarHBondContact O-N 3.42Å; T255-F258 PolarHBondContact O-N 3.29Å; T255-N259 WeakPolarHBondContact O-CB 3.09Å; T255-N259 PolarHBondContact O-N 3.47Å; T255-N259 PolarHBondContact O-ND2 3.19Å; T255-N259 VanDerWaalsContact O-ND2 3.08Å
256	E	84.9	Confident	89	Confident	142 Å²	142	53.6 Å²	53.6	66%	0.664	26%	0.263	S	S	*	.	H	α-helix	trans	-60.8	-44.6	174.7	-171.2	179.6	178.8	0	0	112	N254 N259 Q260	N254-E256 PolarHBondContact O-N 2.99Å; E256-N259 PolarHBondContact O-N 3.32Å; E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 3.12Å
257	Y	90	Very high	89.3	Confident	39 Å²	39	53.1 Å²	53.1	15%	0.153	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-49	175.3	173.9	-95.4	0	0	0	111	F195 K220 N254 T255 N259 Q260 L261	F195-Y257 HydrophobicContact CB-CE1 3.91Å; F195-Y257 AromaticContact CD2-CD1 3.72Å; F195-Y257 HydrophobicContact CD2-CD1 3.72Å; F195-Y257 AromaticContact CD2-CE1 3.38Å; F195-Y257 HydrophobicContact CD2-CE1 3.38Å; F195-Y257 HydrophobicContact CD2-CE2 4.49Å; F195-Y257 HydrophobicContact CD2-CG 4.41Å; F195-Y257 AromaticContact CD2-CZ 3.81Å; F195-Y257 AromaticContact CE2-CD1 3.99Å; F195-Y257 HydrophobicContact CE2-CD1 3.99Å; F195-Y257 HydrophobicContact CE2-CE1 4.13Å; F195-Y257 HydrophobicContact CE2-CG 4.48Å; F195-Y257 HydrophobicContact CG-CD1 4.49Å; F195-Y257 AromaticContact CG-CE1 3.91Å; F195-Y257 HydrophobicContact CG-CE1 3.91Å; K220-Y257 HydrophobicContact CB-CE2 3.86Å; K220-Y257 HydrophobicContact CG-CD2 4.21Å; K220-Y257 HydrophobicContact CG-CE2 3.95Å; N254-Y257 WeakPolarHBondContact O-CB 3.44Å; N254-Y257 PolarHBondContact O-N 2.98Å; N254-Y257 VanDerWaalsContact O-N 3.07Å; T255-Y257 PolarHBondContact O-N 3.42Å; Y257-N259 VanDerWaalsContact C-N 3.31Å; Y257-N259 PolarHBondContact O-N 2.88Å; Y257-Q260 WeakPolarHBondContact O-CB 3.14Å; Y257-Q260 PolarHBondContact O-N 2.99Å; Y257-L261 HydrophobicContact CD1-CD1 4.21Å; Y257-L261 HydrophobicContact CE1-CD1 3.5Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.5Å; Y257-L261 HydrophobicContact CE2-CD1 4.12Å; Y257-L261 VanDerWaalsContact CZ-CD1 3.45Å; Y257-L261 PolarHBondContact O-N 2.82Å
258	F	88.6	Confident	89.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-29.7	-179.7	-66	-60.3	0	0	0	113.4	I81 F195 A251 N254 T255 Q260 L261 K262 G282 V283	I81-F258 HydrophobicContact CD1-CE1 3.86Å; I81-F258 HydrophobicContact CD1-CZ 4.35Å; I81-F258 HydrophobicContact CG1-CE1 4.39Å; F195-F258 HydrophobicContact CD1-CZ 4.05Å; F195-F258 AromaticContact CE1-CZ 3.94Å; F195-F258 HydrophobicContact CE1-CZ 3.94Å; F195-F258 HydrophobicContact CG-CZ 4.41Å; F195-F258 HydrophobicContact CZ-CZ 4.21Å; A251-F258 WeakPolarHBondContact O-CE2 3.22Å; N254-F258 HydrophobicContact CB-CD2 4.31Å; N254-F258 HydrophobicContact CB-CE2 4Å; N254-F258 WeakPolarHBondContact O-CD2 3.48Å; N254-F258 PolarHBondContact O-N 2.97Å; N254-F258 VanDerWaalsContact O-N 3.1Å; T255-F258 PolarHBondContact O-N 3.29Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-L261 CarbonylContact O-C 3.6Å; F258-L261 VanDerWaalsContact O-C 3.27Å; F258-L261 WeakPolarHBondContact O-CA 3.49Å; F258-L261 PolarHBondContact O-N 3.41Å; F258-L261 VanDerWaalsContact O-N 3.11Å; F258-K262 PolarHBondContact O-N 2.8Å; F258-G282 VanDerWaalsContact CB-O 3.24Å; F258-G282 WeakPolarHBondContact CB-O 3.41Å; F258-G282 WeakPolarHBondContact CD2-O 3.23Å; F258-G282 WeakPolarHBondContact CG-O 3.24Å; F258-V283 HydrophobicContact CD1-CG2 3.81Å; F258-V283 HydrophobicContact CE1-CG2 3.87Å; F258-V283 HydrophobicContact CG-CG2 4.44Å
259	N	88	Confident	89.9	Confident	94 Å²	94	50.5 Å²	50.5	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-68.2	-33.5	175	-76	-26.1	0	0	0	112.1	T255 E256 Y257 L261 K262	T255-N259 WeakPolarHBondContact O-CB 3.09Å; T255-N259 PolarHBondContact O-N 3.47Å; T255-N259 PolarHBondContact O-ND2 3.19Å; T255-N259 VanDerWaalsContact O-ND2 3.08Å; E256-N259 PolarHBondContact O-N 3.32Å; Y257-N259 VanDerWaalsContact C-N 3.31Å; Y257-N259 PolarHBondContact O-N 2.88Å; N259-L261 PolarHBondContact O-N 3.08Å; N259-K262 PolarHBondContact O-N 3.09Å
260	Q	90.4	Very high	90.6	Very high	136 Å²	136	48 Å²	48	64%	0.636	24%	0.235	S	C	*	.	H	α-helix	trans	-66.7	-25.9	171.9	-66.7	171.3	16.5	0	0	111.7	E256 Y257 F258	E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 3.12Å; Y257-Q260 WeakPolarHBondContact O-CB 3.14Å; Y257-Q260 PolarHBondContact O-N 2.99Å; F258-Q260 VanDerWaalsContact C-N 3.33Å
261	L	92.1	Very high	91.4	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.141	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	24.8	-180	-57.2	-175.7	0	0	0	113.4	P193 Y257 F258 N259 D263 N264	P193-L261 HydrophobicContact CB-CD1 3.53Å; P193-L261 HydrophobicContact CB-CD2 4.15Å; P193-L261 HydrophobicContact CG-CD1 3.89Å; P193-L261 HydrophobicContact CG-CD2 3.63Å; P193-L261 HydrophobicContact CG-CG 4.4Å; Y257-L261 HydrophobicContact CD1-CD1 4.21Å; Y257-L261 HydrophobicContact CE1-CD1 3.5Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.5Å; Y257-L261 HydrophobicContact CE2-CD1 4.12Å; Y257-L261 VanDerWaalsContact CZ-CD1 3.45Å; Y257-L261 PolarHBondContact O-N 2.82Å; F258-L261 CarbonylContact O-C 3.6Å; F258-L261 VanDerWaalsContact O-C 3.27Å; F258-L261 WeakPolarHBondContact O-CA 3.49Å; F258-L261 PolarHBondContact O-N 3.41Å; F258-L261 VanDerWaalsContact O-N 3.11Å; N259-L261 PolarHBondContact O-N 3.08Å; L261-D263 PolarHBondContact O-N 2.66Å; L261-D263 VanDerWaalsContact O-N 3.08Å; L261-N264 HydrophobicContact CB-CB 4.24Å; L261-N264 WeakPolarHBondContact O-CB 3.25Å; L261-N264 PolarHBondContact O-N 3.11Å
262	K	91.5	Very high	92.2	Very high	119 Å²	119	49.1 Å²	49.1	52%	0.517	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26	-177.2	68.3	-179.3	-175.5	178.4	0	114.3	F258 N259	F258-K262 PolarHBondContact O-N 2.8Å; N259-K262 PolarHBondContact O-N 3.09Å
263	D	94.2	Very high	92.9	Very high	113 Å²	113	46.1 Å²	46.1	60%	0.604	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-17.7	179.9	-61.4	-32	0	0	0	111.4	L261 S265	L261-D263 PolarHBondContact O-N 2.66Å; L261-D263 VanDerWaalsContact O-N 3.08Å; D263-S265 PolarHBondContact O-N 3.45Å
264	N	96.6	Very high	93.2	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.118	21%	0.212	C	C	.	.			trans	-80.3	59.5	175.1	-57.7	84.7	0	0	0	111.1	K77 L78 Q79 L261 N266	K77-N264 CarbonylContact O-C 3.56Å; K77-N264 WeakPolarHBondContact O-CA 3.44Å; L78-N264 PolarHBondContact O-ND2 2.94Å; Q79-N264 HydrophobicContact CB-CB 3.94Å; Q79-N264 HydrophobicContact CG-CB 4.02Å; Q79-N264 PolarHBondContact NE2-O 3.34Å; L261-N264 HydrophobicContact CB-CB 4.24Å; L261-N264 WeakPolarHBondContact O-CB 3.25Å; L261-N264 PolarHBondContact O-N 3.11Å; N264-N266 PolarHBondContact O-N 3.38Å
265	S	97.7	Very high	93.5	Very high	6 Å²	6	41 Å²	41	4%	0.042	21%	0.206	C	C	.	.			trans	-75.5	-1.3	-173.7	63.7	0	0	0	0	115.2	K77 D263 I267 N285 E287 H288	K77-S265 PolarHBondContact O-N 2.92Å; D263-S265 PolarHBondContact O-N 3.45Å; S265-I267 WeakPolarHBondContact O-CD1 3.44Å; S265-N285 WeakPolarHBondContact CA-O 3.26Å; S265-E287 PolarHBondContact O-N 2.94Å; S265-E287 WeakPolarHBondContact OG-CG 3.27Å; S265-H288 PolarHBondContact O-N 2.84Å
266	N	98.6	Very high	94.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.8	178.6	-74.1	-7.1	0	0	0	110.1	G69 L70 K77 L78 Q79 N264 H288	G69-N266 PolarHBondContact O-ND2 3.13Å; L70-N266 HydrophobicContact CD2-CB 3.66Å; K77-N266 HydrophobicContact CB-CB 4.14Å; K77-N266 WeakPolarHBondContact O-CA 3.39Å; K77-N266 WeakPolarHBondContact O-CB 3.26Å; K77-N266 PolarHBondContact O-N 3.05Å; L78-N266 CarbonylContact C-O 3.45Å; L78-N266 WeakPolarHBondContact CA-O 3.33Å; Q79-N266 PolarHBondContact N-O 2.85Å; N264-N266 PolarHBondContact O-N 3.38Å; N266-H288 CarbonylContact C-O 3.54Å; N266-H288 VanDerWaalsContact CA-O 3.3Å; N266-H288 WeakPolarHBondContact CA-O 3.42Å; N266-H288 PolarHBondContact OD1-CD2 3.35Å
267	I	98.8	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.2	-170.7	-57	96.7	0	0	0	110.4	Q79 I81 S265 L269 V283 V286 H288 I289 L290	Q79-I267 HydrophobicContact CG-CG1 3.83Å; Q79-I267 WeakPolarHBondContact O-CA 3.41Å; I81-I267 HydrophobicContact CB-CG2 4.4Å; I81-I267 HydrophobicContact CD1-CG2 3.98Å; I81-I267 HydrophobicContact CG1-CG2 4.33Å; S265-I267 WeakPolarHBondContact O-CD1 3.44Å; I267-L269 HydrophobicContact CG2-CB 4.46Å; I267-V283 HydrophobicContact CD1-CG1 4.09Å; I267-V286 HydrophobicContact CD1-CB 4.15Å; I267-V286 HydrophobicContact CD1-CG1 3.75Å; I267-V286 HydrophobicContact CD1-CG2 3.78Å; I267-H288 PolarHBondContact N-O 2.95Å; I267-I289 HydrophobicContact CB-CB 4.3Å; I267-I289 HydrophobicContact CB-CD1 4.33Å; I267-I289 HydrophobicContact CB-CG1 4.03Å; I267-I289 HydrophobicContact CG2-CD1 4.2Å; I267-I289 HydrophobicContact CG2-CG1 4.19Å; I267-I289 CarbonylContact O-C 3.53Å; I267-I289 WeakPolarHBondContact O-CA 3.39Å; I267-L290 PolarHBondContact O-N 3.1Å
268	I	98.9	Very high	95.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.4	157.5	-63.6	172.6	0	0	0	107	L70 L78 Q79 I80 I81 L270 I292 I326 L327 I330	L70-I268 HydrophobicContact CD1-CD1 4.26Å; L70-I268 HydrophobicContact CD1-CG1 3.89Å; L78-I268 HydrophobicContact CD1-CD1 4.19Å; L78-I268 HydrophobicContact CD1-CG1 4.12Å; Q79-I268 PolarHBondContact O-N 2.82Å; I80-I268 HydrophobicContact CD1-CB 3.81Å; I80-I268 HydrophobicContact CD1-CD1 4.24Å; I80-I268 HydrophobicContact CD1-CG1 4.41Å; I81-I268 PolarHBondContact N-O 3.1Å; I268-L270 HydrophobicContact CG2-CD2 3.78Å; I268-L270 HydrophobicContact CG2-CG 4.28Å; I268-I292 HydrophobicContact CG2-CD1 4.32Å; I268-I326 HydrophobicContact CD1-CG2 4Å; I268-L327 HydrophobicContact CD1-CD2 3.95Å; I268-I330 HydrophobicContact CD1-CD1 4.02Å
269	L	98.9	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.1	176.5	-174.5	151.7	0	0	0	109.8	I81 I267 M279 A280 I289 L290 K291 I292 Y310	I81-L269 CarbonylContact O-C 3.55Å; I81-L269 WeakPolarHBondContact O-CA 3.46Å; I267-L269 HydrophobicContact CG2-CB 4.46Å; L269-M279 HydrophobicContact CD1-CB 4.3Å; L269-M279 HydrophobicContact CD2-CE 4.23Å; L269-M279 HydrophobicContact CG-CE 4.19Å; L269-A280 HydrophobicContact CD1-CB 3.9Å; L269-I289 HydrophobicContact CB-CD1 4.43Å; L269-I289 HydrophobicContact CD1-CD1 4.43Å; L269-L290 PolarHBondContact N-O 2.8Å; L269-K291 HydrophobicContact CB-CG 4.33Å; L269-K291 WeakPolarHBondContact O-CA 3.31Å; L269-I292 PolarHBondContact O-N 3.04Å; L269-Y310 HydrophobicContact CD2-CE1 4.16Å
270	L	98.9	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.2	175.4	-48	175.9	0	0	0	109.7	I81 T82 D83 T87 F183 I268 M279 I292 L320 A323	I81-L270 PolarHBondContact O-N 3.03Å; T82-L270 WeakPolarHBondContact CA-O 3.47Å; T82-L270 WeakPolarHBondContact OG1-CB 3.45Å; D83-L270 PolarHBondContact N-O 3.49Å; T87-L270 HydrophobicContact CG2-CB 3.71Å; F183-L270 HydrophobicContact CE2-CD1 3.97Å; F183-L270 HydrophobicContact CZ-CD1 3.71Å; I268-L270 HydrophobicContact CG2-CD2 3.78Å; I268-L270 HydrophobicContact CG2-CG 4.28Å; L270-M279 VanDerWaalsContact O-CE 3.26Å; L270-M279 WeakPolarHBondContact O-CE 3.49Å; L270-I292 WeakPolarHBondContact CA-O 3.41Å; L270-I292 HydrophobicContact CD2-CB 3.67Å; L270-I292 HydrophobicContact CD2-CD1 3.8Å; L270-I292 HydrophobicContact CD2-CG1 4Å; L270-I292 HydrophobicContact CD2-CG2 4.36Å; L270-L320 HydrophobicContact CD1-CD2 4.3Å; L270-A323 HydrophobicContact CD2-CB 4.37Å
271	G	98.8	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	168.4	176.1	0	0	0	0	0	112	T87 I292 G293 Y294	T87-G271 WeakPolarHBondContact OG1-CA 3.31Å; G271-I292 PolarHBondContact N-O 3.19Å; G271-I292 VanDerWaalsContact N-O 3.1Å; G271-G293 CarbonylContact O-C 3.19Å; G271-G293 VanDerWaalsContact O-CA 3.22Å; G271-G293 WeakPolarHBondContact O-CA 3.49Å; G271-Y294 PolarHBondContact O-N 3.21Å
272	D	98	Very high	96.1	Very high	34 Å²	34	27 Å²	27	18%	0.182	14%	0.135	C	C	.	.	S	Bend	trans	-123.6	-2.9	177.7	71.2	-65	0	0	0	112.5	M86 T87 D276 Y294 Y306	M86-D272 HydrophobicContact CB-CB 4.44Å; T87-D272 WeakPolarHBondContact OG1-CB 3.48Å; T87-D272 PolarHBondContact OG1-N 3.3Å; T87-D272 PolarHBondContact OG1-OD1 2.96Å; D272-D276 PolarHBondContact N-OD2 3.13Å; D272-Y294 VanDerWaalsContact CA-O 3.3Å; D272-Y294 WeakPolarHBondContact CA-O 3.14Å; D272-Y294 WeakPolarHBondContact CB-O 3.38Å; D272-Y306 PolarHBondContact O-OH 2.99Å
273	S	95.4	Very high	96.1	Very high	14 Å²	14	22.2 Å²	22.2	10%	0.098	12%	0.116	C	C	.	.	S	Bend	trans	-121.1	167.8	178.1	79.9	0	0	0	0	112.1	G275 D276 Y310	S273-G275 VanDerWaalsContact C-N 3.28Å; S273-G275 PolarHBondContact OG-N 3.32Å; S273-D276 WeakPolarHBondContact CA-OD2 3.18Å; S273-D276 WeakPolarHBondContact CB-OD2 3.43Å; S273-D276 PolarHBondContact N-OD2 3.24Å; S273-D276 PolarHBondContact OG-N 3.02Å; S273-D276 PolarHBondContact OG-OD1 3.5Å; S273-D276 PolarHBondContact OG-OD2 3.13Å; S273-Y310 PolarHBondContact O-OH 3.47Å
274	Q	92.6	Very high	95.5	Very high	40 Å²	40	19.6 Å²	19.6	19%	0.187	11%	0.11	C	C	.	.	S	Bend	trans	-71.9	-25.2	172.3	-66.4	-68.6	-55.3	0	0	112.5	D276 L277 K305 Y306 S309	Q274-D276 VanDerWaalsContact C-N 3.29Å; Q274-D276 PolarHBondContact O-N 3.24Å; Q274-L277 WeakPolarHBondContact O-CB 3.4Å; Q274-K305 HydrophobicContact CG-CD 4.43Å; Q274-Y306 HydrophobicContact CG-CE2 4.35Å; Q274-Y306 VanDerWaalsContact NE2-CD2 3.33Å; Q274-S309 PolarHBondContact OE1-OG 3.2Å
275	G	93.1	Very high	95.3	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-70.9	-26.1	178.7	0	0	0	0	0	113.3	V244 S273 L277 R278	V244-G275 VanDerWaalsContact O-CA 3.32Å; V244-G275 WeakPolarHBondContact O-CA 3.45Å; S273-G275 VanDerWaalsContact C-N 3.28Å; S273-G275 PolarHBondContact OG-N 3.32Å; G275-L277 PolarHBondContact O-N 3.3Å; G275-R278 WeakPolarHBondContact O-CB 3.2Å; G275-R278 PolarHBondContact O-N 3.44Å; G275-R278 VanDerWaalsContact O-N 3.15Å
276	D	97.5	Very high	95.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-65.5	-24.1	179.4	-62.5	-36.5	0	0	0	113.3	K247 D272 S273 Q274 R278 M279	K247-D276 WeakPolarHBondContact CD-OD1 3.32Å; K247-D276 VanDerWaalsContact CE-OD1 3.28Å; K247-D276 WeakPolarHBondContact CE-OD1 3.42Å; K247-D276 IonicContact NZ-OD1 3.02Å; K247-D276 PolarHBondContact NZ-OD1 2.83Å; D272-D276 PolarHBondContact N-OD2 3.13Å; S273-D276 WeakPolarHBondContact CA-OD2 3.18Å; S273-D276 WeakPolarHBondContact CB-OD2 3.43Å; S273-D276 PolarHBondContact N-OD2 3.24Å; S273-D276 PolarHBondContact OG-N 3.02Å; S273-D276 PolarHBondContact OG-OD1 3.5Å; S273-D276 PolarHBondContact OG-OD2 3.13Å; Q274-D276 VanDerWaalsContact C-N 3.29Å; Q274-D276 PolarHBondContact O-N 3.24Å; D276-R278 PolarHBondContact O-N 2.71Å; D276-M279 HydrophobicContact CB-CE 3.62Å; D276-M279 HydrophobicContact CB-SD 4.21Å; D276-M279 WeakPolarHBondContact O-CB 3.28Å; D276-M279 VanDerWaalsContact O-CG 3.28Å; D276-M279 WeakPolarHBondContact O-CG 3.23Å; D276-M279 PolarHBondContact O-N 3.23Å
277	L	96.9	Very high	95.1	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.11	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.1	-17.4	175.2	-65.1	169.4	0	0	0	113.3	Q274 G275 K291 S309 Y310	Q274-L277 WeakPolarHBondContact O-CB 3.4Å; G275-L277 PolarHBondContact O-N 3.3Å; L277-K291 HydrophobicContact CD2-CD 3.68Å; L277-K291 PolarHBondContact O-NZ 2.81Å; L277-S309 VanDerWaalsContact CD1-CB 3.49Å; L277-S309 WeakPolarHBondContact CD2-O 3.2Å; L277-Y310 HydrophobicContact CD1-CE2 4.27Å; L277-Y310 HydrophobicContact CD2-CD1 3.79Å; L277-Y310 HydrophobicContact CD2-CD2 4.01Å; L277-Y310 HydrophobicContact CD2-CE1 3.5Å; L277-Y310 HydrophobicContact CD2-CE2 3.74Å; L277-Y310 HydrophobicContact CD2-CG 4.03Å; L277-Y310 VanDerWaalsContact CD2-CZ 3.46Å; L277-Y310 HydrophobicContact CG-CE1 4.31Å; L277-Y310 HydrophobicContact CG-CE2 3.95Å
278	R	96	Very high	95.1	Very high	111 Å²	111	34.3 Å²	34.3	42%	0.419	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-95.6	-2.9	-179.1	-49.1	-56.4	-59.8	-80.9	-6.5	113.8	H248 G275 D276 A280 D281	H248-R278 HydrophobicContact CB-CB 4.05Å; H248-R278 PolarHBondContact ND1-NH2 3.45Å; H248-R278 VanDerWaalsContact ND1-NH2 3.1Å; G275-R278 WeakPolarHBondContact O-CB 3.2Å; G275-R278 PolarHBondContact O-N 3.44Å; G275-R278 VanDerWaalsContact O-N 3.15Å; D276-R278 PolarHBondContact O-N 2.71Å; R278-A280 PolarHBondContact O-N 2.99Å; R278-D281 IonicContact CZ-OD2 2.75Å; R278-D281 IonicContact NE-OD1 3.64Å; R278-D281 IonicContact NE-OD2 2.78Å; R278-D281 PolarHBondContact NE-OD2 3.32Å; R278-D281 IonicContact NH2-OD2 3.51Å; R278-D281 PolarHBondContact NH2-OD2 2.92Å; R278-D281 WeakPolarHBondContact O-CB 3.27Å; R278-D281 VanDerWaalsContact O-CG 3.22Å; R278-D281 PolarHBondContact O-N 2.74Å
279	M	97.1	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.8	-176.5	-68	-173.2	-57	0	0	113.7	I81 D83 F197 K247 L269 L270 D276	I81-M279 HydrophobicContact CG2-CB 3.48Å; I81-M279 VanDerWaalsContact CG2-CB 3.48Å; I81-M279 HydrophobicContact CG2-CE 4.33Å; D83-M279 HydrophobicContact CB-CE 4.23Å; D83-M279 HydrophobicContact CB-SD 4.25Å; F197-M279 HydrophobicContact CB-CG 4.44Å; F197-M279 HydrophobicContact CB-SD 3.94Å; F197-M279 HydrophobicContact CD2-CB 3.93Å; F197-M279 HydrophobicContact CD2-CG 3.67Å; F197-M279 HydrophobicContact CD2-SD 4.24Å; F197-M279 HydrophobicContact CE2-CG 4.32Å; F197-M279 HydrophobicContact CG-CG 4.38Å; F197-M279 HydrophobicContact CG-SD 4.38Å; K247-M279 HydrophobicContact CB-CG 4.06Å; K247-M279 HydrophobicContact CD-CG 3.5Å; K247-M279 HydrophobicContact CD-SD 3.67Å; K247-M279 HydrophobicContact CG-CG 4.42Å; K247-M279 PolarHBondContact NZ-SD 3.4Å; L269-M279 HydrophobicContact CD1-CB 4.3Å; L269-M279 HydrophobicContact CD2-CE 4.23Å; L269-M279 HydrophobicContact CG-CE 4.19Å; L270-M279 VanDerWaalsContact O-CE 3.26Å; L270-M279 WeakPolarHBondContact O-CE 3.49Å; D276-M279 HydrophobicContact CB-CE 3.62Å; D276-M279 HydrophobicContact CB-SD 4.21Å; D276-M279 WeakPolarHBondContact O-CB 3.28Å; D276-M279 VanDerWaalsContact O-CG 3.28Å; D276-M279 WeakPolarHBondContact O-CG 3.23Å; D276-M279 PolarHBondContact O-N 3.23Å
280	A	95.2	Very high	95.1	Very high	11 Å²	11	36 Å²	36	9%	0.091	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	5.5	178.2	0	0	0	0	0	113.9	I81 L269 R278 G282 V283 I289	I81-A280 HydrophobicContact CD1-CB 3.9Å; L269-A280 HydrophobicContact CD1-CB 3.9Å; R278-A280 PolarHBondContact O-N 2.99Å; A280-G282 PolarHBondContact O-N 3.17Å; A280-G282 VanDerWaalsContact O-N 3.17Å; A280-V283 HydrophobicContact CB-CG2 4.17Å; A280-V283 WeakPolarHBondContact O-CB 3.41Å; A280-V283 WeakPolarHBondContact O-CG2 3.37Å; A280-V283 PolarHBondContact O-N 3.09Å; A280-I289 HydrophobicContact CB-CD1 3.83Å
281	D	93.3	Very high	95.1	Very high	58 Å²	58	38.4 Å²	38.4	31%	0.31	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-175.5	-71.7	8.2	0	0	0	113.3	H248 A251 R278 V283	H248-D281 IonicContact CE1-OD2 2.67Å; H248-D281 IonicContact CG-OD2 3.81Å; H248-D281 WeakPolarHBondContact ND1-CB 3.06Å; H248-D281 IonicContact ND1-OD2 3.6Å; H248-D281 PolarHBondContact ND1-OD2 3.4Å; A251-D281 HydrophobicContact CB-CB 4.43Å; R278-D281 IonicContact CZ-OD2 2.75Å; R278-D281 IonicContact NE-OD1 3.64Å; R278-D281 IonicContact NE-OD2 2.78Å; R278-D281 PolarHBondContact NE-OD2 3.32Å; R278-D281 IonicContact NH2-OD2 3.51Å; R278-D281 PolarHBondContact NH2-OD2 2.92Å; R278-D281 WeakPolarHBondContact O-CB 3.27Å; R278-D281 VanDerWaalsContact O-CG 3.22Å; R278-D281 PolarHBondContact O-N 2.74Å; D281-V283 VanDerWaalsContact C-N 3.34Å
282	G	90.4	Very high	95.1	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6	174.1	0	0	0	0	0	114.7	F258 A280 A284	F258-G282 VanDerWaalsContact CB-O 3.24Å; F258-G282 WeakPolarHBondContact CB-O 3.41Å; F258-G282 WeakPolarHBondContact CD2-O 3.23Å; F258-G282 WeakPolarHBondContact CG-O 3.24Å; A280-G282 PolarHBondContact O-N 3.17Å; A280-G282 VanDerWaalsContact O-N 3.17Å; G282-A284 PolarHBondContact O-N 3.32Å
283	V	90.9	Very high	95.2	Very high	18 Å²	18	36.8 Å²	36.8	11%	0.109	20%	0.196	C	C	.	.			trans	-77.5	119.6	-178.2	-177.5	0	0	0	0	109.7	I81 F258 I267 A280 D281 V286	I81-V283 HydrophobicContact CD1-CG2 3.57Å; F258-V283 HydrophobicContact CD1-CG2 3.81Å; F258-V283 HydrophobicContact CE1-CG2 3.87Å; F258-V283 HydrophobicContact CG-CG2 4.44Å; I267-V283 HydrophobicContact CD1-CG1 4.09Å; A280-V283 HydrophobicContact CB-CG2 4.17Å; A280-V283 WeakPolarHBondContact O-CB 3.41Å; A280-V283 WeakPolarHBondContact O-CG2 3.37Å; A280-V283 PolarHBondContact O-N 3.09Å; D281-V283 VanDerWaalsContact C-N 3.34Å; V283-V286 HydrophobicContact CB-CG2 4.08Å; V283-V286 HydrophobicContact CG1-CG2 3.77Å
284	A	82.8	Confident	95.3	Very high	58 Å²	58	36.1 Å²	36.1	48%	0.479	19%	0.191	S	C	.	.	S	Bend	trans	-65.6	-44.5	-173.7	0	0	0	0	0	113.6	G282	G282-A284 PolarHBondContact O-N 3.32Å
285	N	90.6	Very high	95.6	Very high	99 Å²	99	34.3 Å²	34.3	53%	0.529	18%	0.182	S	C	.	.			trans	-129.4	120.1	-176.1	-65	-34.3	0	0	0	110.2	S265	S265-N285 WeakPolarHBondContact CA-O 3.26Å
286	V	96.5	Very high	95.8	Very high	70 Å²	70	34.4 Å²	34.4	42%	0.424	18%	0.182	S	C	.	.			trans	-118.6	110.7	177.3	-179.4	0	0	0	0	109.1	I267 V283 I289	I267-V286 HydrophobicContact CD1-CB 4.15Å; I267-V286 HydrophobicContact CD1-CG1 3.75Å; I267-V286 HydrophobicContact CD1-CG2 3.78Å; V283-V286 HydrophobicContact CB-CG2 4.08Å; V283-V286 HydrophobicContact CG1-CG2 3.77Å; V286-I289 HydrophobicContact CG1-CB 3.79Å; V286-I289 HydrophobicContact CG1-CG2 3.82Å
287	E	97.6	Very high	95.5	Very high	105 Å²	105	37.3 Å²	37.3	49%	0.491	20%	0.197	S	C	.	.	S	Bend	trans	-83.4	-50.6	169.8	-77.6	-176.8	-167.1	0	0	110.1	K77 S265	K77-E287 IonicContact NZ-OE1 3.18Å; K77-E287 PolarHBondContact NZ-OE1 3.24Å; K77-E287 IonicContact NZ-OE2 2.65Å; K77-E287 PolarHBondContact NZ-OE2 2.9Å; S265-E287 PolarHBondContact O-N 2.94Å; S265-E287 WeakPolarHBondContact OG-CG 3.27Å
288	H	98.5	Very high	95.2	Very high	64 Å²	64	39 Å²	39	30%	0.296	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	130.6	179.8	-59.2	-59.6	0	0	0	110.1	G69 L70 S265 N266 I267	G69-H288 VanDerWaalsContact C-CD2 3.48Å; G69-H288 WeakPolarHBondContact CA-CD2 3.36Å; G69-H288 VanDerWaalsContact CA-NE2 3.35Å; G69-H288 WeakPolarHBondContact CA-NE2 3.44Å; L70-H288 HydrophobicContact CD2-CB 3.97Å; S265-H288 PolarHBondContact O-N 2.84Å; N266-H288 CarbonylContact C-O 3.54Å; N266-H288 VanDerWaalsContact CA-O 3.3Å; N266-H288 WeakPolarHBondContact CA-O 3.42Å; N266-H288 PolarHBondContact OD1-CD2 3.35Å; I267-H288 PolarHBondContact N-O 2.95Å
289	I	98.6	Very high	95.1	Very high	39 Å²	39	34.9 Å²	34.9	20%	0.2	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.1	172.5	-178.6	166.5	0	0	0	109.1	I267 L269 A280 V286 K291	I267-I289 HydrophobicContact CB-CB 4.3Å; I267-I289 HydrophobicContact CB-CD1 4.33Å; I267-I289 HydrophobicContact CB-CG1 4.03Å; I267-I289 HydrophobicContact CG2-CD1 4.2Å; I267-I289 HydrophobicContact CG2-CG1 4.19Å; I267-I289 CarbonylContact O-C 3.53Å; I267-I289 WeakPolarHBondContact O-CA 3.39Å; L269-I289 HydrophobicContact CB-CD1 4.43Å; L269-I289 HydrophobicContact CD1-CD1 4.43Å; A280-I289 HydrophobicContact CB-CD1 3.83Å; V286-I289 HydrophobicContact CG1-CB 3.79Å; V286-I289 HydrophobicContact CG1-CG2 3.82Å; I289-K291 HydrophobicContact CD1-CG 4.34Å; I289-K291 HydrophobicContact CG1-CG 4.11Å
290	L	98.9	Very high	94.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.7	171.5	-176.2	66.6	0	0	0	109.1	V63 I66 I67 L70 I267 L269 I292 D311 I312 I326	V63-L290 HydrophobicContact CG1-CD1 4.33Å; I66-L290 HydrophobicContact CB-CD1 4.47Å; I66-L290 HydrophobicContact CG2-CB 3.7Å; I66-L290 HydrophobicContact CG2-CD1 4.06Å; I66-L290 HydrophobicContact CG2-CG 4.45Å; I67-L290 HydrophobicContact CG1-CD2 4.03Å; L70-L290 HydrophobicContact CD1-CB 3.95Å; L70-L290 HydrophobicContact CD1-CD2 4.17Å; I267-L290 PolarHBondContact O-N 3.1Å; L269-L290 PolarHBondContact N-O 2.8Å; L290-I292 HydrophobicContact CD2-CD1 4.26Å; L290-I292 HydrophobicContact CD2-CG1 4.39Å; L290-I292 HydrophobicContact CG-CG1 4.27Å; L290-D311 HydrophobicContact CD1-CB 3.8Å; L290-I312 HydrophobicContact CD1-CD1 4.19Å; L290-I312 HydrophobicContact CD1-CG1 4.39Å; L290-I312 HydrophobicContact CD2-CD1 4.21Å; L290-I326 HydrophobicContact CD2-CD1 3.67Å; L290-I326 HydrophobicContact CD2-CG2 4.49Å
291	K	98.9	Very high	94.8	Very high	50 Å²	50	48 Å²	48	22%	0.217	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.5	178.7	-55.4	-174.2	179.9	-170.2	0	110.3	L269 L277 I289 Y310 D311 I312	L269-K291 HydrophobicContact CB-CG 4.33Å; L269-K291 WeakPolarHBondContact O-CA 3.31Å; L277-K291 HydrophobicContact CD2-CD 3.68Å; L277-K291 PolarHBondContact O-NZ 2.81Å; I289-K291 HydrophobicContact CD1-CG 4.34Å; I289-K291 HydrophobicContact CG1-CG 4.11Å; K291-Y310 HydrophobicContact CB-CD1 3.73Å; K291-Y310 HydrophobicContact CB-CE1 4.3Å; K291-D311 PolarHBondContact N-OD2 2.77Å; K291-D311 PolarHBondContact O-N 3.44Å; K291-I312 PolarHBondContact O-N 3.39Å; K291-I312 VanDerWaalsContact O-N 3.12Å
292	I	98.9	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.1	177.4	-49	-177.2	0	0	0	108.8	I268 L269 L270 G271 L290 Y310 I312 L314 A323 I326	I268-I292 HydrophobicContact CG2-CD1 4.32Å; L269-I292 PolarHBondContact O-N 3.04Å; L270-I292 WeakPolarHBondContact CA-O 3.41Å; L270-I292 HydrophobicContact CD2-CB 3.67Å; L270-I292 HydrophobicContact CD2-CD1 3.8Å; L270-I292 HydrophobicContact CD2-CG1 4Å; L270-I292 HydrophobicContact CD2-CG2 4.36Å; G271-I292 PolarHBondContact N-O 3.19Å; G271-I292 VanDerWaalsContact N-O 3.1Å; L290-I292 HydrophobicContact CD2-CD1 4.26Å; L290-I292 HydrophobicContact CD2-CG1 4.39Å; L290-I292 HydrophobicContact CG-CG1 4.27Å; I292-Y310 VanDerWaalsContact C-CD1 3.48Å; I292-I312 CarbonylContact C-O 3.53Å; I292-I312 WeakPolarHBondContact CA-O 3.38Å; I292-I312 HydrophobicContact CD1-CD1 4.45Å; I292-I312 HydrophobicContact CG1-CB 4.36Å; I292-I312 HydrophobicContact CG1-CD1 4.36Å; I292-I312 HydrophobicContact CG2-CB 4.33Å; I292-I312 HydrophobicContact CG2-CG2 4.38Å; I292-L314 HydrophobicContact CG2-CD1 3.68Å; I292-L314 HydrophobicContact CG2-CG 3.92Å; I292-A323 HydrophobicContact CD1-CB 4.43Å; I292-I326 HydrophobicContact CD1-CD1 3.89Å
293	G	98.8	Very high	95	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.4	-175.6	0	0	0	0	0	112.3	G271 Y310 I312 V313 L314	G271-G293 CarbonylContact O-C 3.19Å; G271-G293 VanDerWaalsContact O-CA 3.22Å; G271-G293 WeakPolarHBondContact O-CA 3.49Å; G293-Y310 VanDerWaalsContact CA-CD1 3.43Å; G293-Y310 VanDerWaalsContact N-CD1 3.27Å; G293-I312 PolarHBondContact N-O 2.85Å; G293-V313 CarbonylContact O-C 3.51Å; G293-V313 WeakPolarHBondContact O-CA 3.44Å; G293-L314 PolarHBondContact O-N 2.81Å
294	Y	98.8	Very high	95.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.8	170.9	-73.9	-89.3	0	0	0	110.2	T87 K177 G271 D272 N296 L314 D317 S319 L320	T87-Y294 HydrophobicContact CG2-CD2 4.18Å; T87-Y294 HydrophobicContact CG2-CE2 4.36Å; K177-Y294 HydrophobicContact CD-CD1 4.17Å; K177-Y294 HydrophobicContact CD-CE1 3.59Å; K177-Y294 VanDerWaalsContact CE-CE1 3.49Å; G271-Y294 PolarHBondContact O-N 3.21Å; D272-Y294 VanDerWaalsContact CA-O 3.3Å; D272-Y294 WeakPolarHBondContact CA-O 3.14Å; D272-Y294 WeakPolarHBondContact CB-O 3.38Å; Y294-N296 PolarHBondContact O-N 3.31Å; Y294-L314 HydrophobicContact CD1-CB 3.99Å; Y294-L314 HydrophobicContact CD1-CD1 4.17Å; Y294-L314 HydrophobicContact CE1-CB 4.16Å; Y294-L314 HydrophobicContact CE1-CD1 3.57Å; Y294-L314 HydrophobicContact CE2-CD1 4.18Å; Y294-D317 HydrophobicContact CD1-CB 4.46Å; Y294-D317 WeakPolarHBondContact CD1-O 3.24Å; Y294-D317 HydrophobicContact CE1-CB 4.31Å; Y294-D317 WeakPolarHBondContact CE1-O 3.03Å; Y294-S319 WeakPolarHBondContact CE1-O 3.22Å; Y294-S319 PolarHBondContact OH-O 2.82Å; Y294-L320 WeakPolarHBondContact OH-CD2 3.3Å
295	L	98.1	Very high	95.8	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	91.1	175.3	-179.6	57.2	0	0	0	109.3	D297 V299 L302 L303 Y306 V313 L314 V315 Q316	L295-D297 WeakPolarHBondContact CD1-O 3.44Å; L295-V299 HydrophobicContact CD2-CB 4.49Å; L295-V299 HydrophobicContact CD2-CG1 4.26Å; L295-V299 HydrophobicContact CG-CG2 4.36Å; L295-L302 HydrophobicContact CD1-CB 3.88Å; L295-L302 HydrophobicContact CD1-CD1 4.37Å; L295-L303 HydrophobicContact CD2-CB 3.87Å; L295-L303 HydrophobicContact CD2-CD1 3.94Å; L295-Y306 HydrophobicContact CB-CD1 4.1Å; L295-Y306 HydrophobicContact CB-CE1 4.39Å; L295-Y306 HydrophobicContact CB-CG 4.49Å; L295-Y306 HydrophobicContact CD1-CD1 4.25Å; L295-Y306 HydrophobicContact CD1-CD2 4.02Å; L295-Y306 HydrophobicContact CD1-CE1 4.14Å; L295-Y306 HydrophobicContact CD1-CE2 3.88Å; L295-Y306 HydrophobicContact CD1-CG 4.19Å; L295-Y306 HydrophobicContact CD2-CG 4.42Å; L295-V313 HydrophobicContact CB-CG1 3.79Å; L295-V313 HydrophobicContact CD2-CG1 4.32Å; L295-L314 PolarHBondContact N-O 2.63Å; L295-V315 HydrophobicContact CD2-CG2 4.48Å; L295-Q316 PolarHBondContact O-N 2.85Å
296	N	96.7	Very high	96.1	Very high	10 Å²	10	52 Å²	52	5%	0.053	25%	0.254	C	S	.	.			trans	-89	-27.4	-169.8	-65.6	-48.5	0	0	0	114.3	M86 F91 Y294	M86-N296 PolarHBondContact O-ND2 2.97Å; F91-N296 HydrophobicContact CB-CB 3.76Å; F91-N296 HydrophobicContact CD1-CB 4Å; F91-N296 HydrophobicContact CD2-CB 3.51Å; F91-N296 HydrophobicContact CE1-CB 4.46Å; F91-N296 HydrophobicContact CE2-CB 4.02Å; F91-N296 HydrophobicContact CG-CB 3.5Å; F91-N296 VanDerWaalsContact CG-CB 3.5Å; F91-N296 HydrophobicContact CZ-CB 4.47Å; Y294-N296 PolarHBondContact O-N 3.31Å
297	D	92	Very high	96.2	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	24%	0.242	S	C	.	.	S	Bend	trans	-140	159.5	-175	-169.1	11.8	0	0	0	110.1	F91 Y127 L295 V299	F91-D297 HydrophobicContact CE2-CB 4.26Å; F91-D297 HydrophobicContact CZ-CB 3.83Å; Y127-D297 PolarHBondContact OH-OD2 3.29Å; L295-D297 WeakPolarHBondContact CD1-O 3.44Å; D297-V299 VanDerWaalsContact C-N 3.25Å; D297-V299 PolarHBondContact O-N 3.45Å
298	R	90.1	Very high	96.3	Very high	55 Å²	55	49.6 Å²	49.6	21%	0.208	24%	0.241	C	C	.	.			trans	46.4	48	179.7	-83.7	178.6	-78.9	-168.2	-17.1	114.6	V131 D300 E301 L302	V131-R298 PolarHBondContact O-NH1 2.83Å; V131-R298 VanDerWaalsContact O-NH1 3.1Å; R298-D300 VanDerWaalsContact C-N 3.31Å; R298-D300 PolarHBondContact O-N 2.92Å; R298-E301 HydrophobicContact CB-CB 4.36Å; R298-E301 WeakPolarHBondContact CD-OE2 3.31Å; R298-E301 PolarHBondContact O-N 3.25Å; R298-L302 HydrophobicContact CB-CD1 3.96Å; R298-L302 HydrophobicContact CB-CG 4.2Å; R298-L302 WeakPolarHBondContact O-CB 3.41Å; R298-L302 PolarHBondContact O-N 3.11Å
299	V	94.4	Very high	96.2	Very high	26 Å²	26	48.6 Å²	48.6	16%	0.158	24%	0.242	C	C	.	.	H	α-helix	trans	-52.4	-51.5	-178.1	179.3	0	0	0	0	110.7	L295 D297 E301 L302 L303 V315 Q316	L295-V299 HydrophobicContact CD2-CB 4.49Å; L295-V299 HydrophobicContact CD2-CG1 4.26Å; L295-V299 HydrophobicContact CG-CG2 4.36Å; D297-V299 VanDerWaalsContact C-N 3.25Å; D297-V299 PolarHBondContact O-N 3.45Å; V299-E301 VanDerWaalsContact C-N 3.29Å; V299-E301 PolarHBondContact O-N 2.78Å; V299-L302 PolarHBondContact O-N 3.34Å; V299-L303 WeakPolarHBondContact O-CB 3.34Å; V299-L303 PolarHBondContact O-N 2.9Å; V299-V315 HydrophobicContact CB-CG1 4.25Å; V299-V315 HydrophobicContact CG1-CG1 3.48Å; V299-V315 VanDerWaalsContact CG1-CG1 3.48Å; V299-V315 HydrophobicContact CG1-CG2 4.46Å; V299-V315 HydrophobicContact CG2-CG1 3.7Å; V299-Q316 HydrophobicContact CG2-CG 3.96Å
300	D	93.8	Very high	96.2	Very high	163 Å²	163	47.1 Å²	47.1	87%	0.872	23%	0.233	S	C	*	.	H	α-helix	trans	-62.6	-35.3	-175.1	-63.1	-26.5	0	0	0	113.1	R298	R298-D300 VanDerWaalsContact C-N 3.31Å; R298-D300 PolarHBondContact O-N 2.92Å
301	E	92.4	Very high	96.2	Very high	122 Å²	122	48.1 Å²	48.1	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-80.8	-35.1	-177.9	-63.5	171.3	-153	0	0	112.6	R298 V299	R298-E301 HydrophobicContact CB-CB 4.36Å; R298-E301 WeakPolarHBondContact CD-OE2 3.31Å; R298-E301 PolarHBondContact O-N 3.25Å; V299-E301 VanDerWaalsContact C-N 3.29Å; V299-E301 PolarHBondContact O-N 2.78Å
302	L	91.7	Very high	96.2	Very high	30 Å²	30	45.8 Å²	45.8	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-107.1	-15.8	-167.3	-64.2	177.7	0	0	0	113.6	L295 R298 V299 E304 K305 Y306	L295-L302 HydrophobicContact CD1-CB 3.88Å; L295-L302 HydrophobicContact CD1-CD1 4.37Å; R298-L302 HydrophobicContact CB-CD1 3.96Å; R298-L302 HydrophobicContact CB-CG 4.2Å; R298-L302 WeakPolarHBondContact O-CB 3.41Å; R298-L302 PolarHBondContact O-N 3.11Å; V299-L302 PolarHBondContact O-N 3.34Å; L302-E304 VanDerWaalsContact C-N 3.33Å; L302-E304 PolarHBondContact O-N 3.36Å; L302-K305 WeakPolarHBondContact O-CB 3.44Å; L302-K305 PolarHBondContact O-N 3.28Å; L302-K305 VanDerWaalsContact O-N 3.11Å; L302-Y306 HydrophobicContact CB-CD2 3.91Å; L302-Y306 HydrophobicContact CB-CE2 3.89Å; L302-Y306 HydrophobicContact CD1-CE2 4.22Å; L302-Y306 VanDerWaalsContact O-CD2 3.27Å; L302-Y306 WeakPolarHBondContact O-CD2 3.48Å; L302-Y306 PolarHBondContact O-N 3.27Å
303	L	96.4	Very high	96.2	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-44.9	-172.4	175.1	65.9	0	0	0	113.2	R56 L295 V299 Y306 M307 V313 V315	R56-L303 HydrophobicContact CB-CD1 4.28Å; R56-L303 HydrophobicContact CG-CD1 4.15Å; R56-L303 VanDerWaalsContact NH1-CD2 3.3Å; L295-L303 HydrophobicContact CD2-CB 3.87Å; L295-L303 HydrophobicContact CD2-CD1 3.94Å; V299-L303 WeakPolarHBondContact O-CB 3.34Å; V299-L303 PolarHBondContact O-N 2.9Å; L303-Y306 PolarHBondContact O-N 3.1Å; L303-M307 HydrophobicContact CD1-CG 3.86Å; L303-M307 HydrophobicContact CD1-SD 3.9Å; L303-M307 HydrophobicContact CD2-SD 4.49Å; L303-M307 HydrophobicContact CG-CG 4.28Å; L303-M307 HydrophobicContact CG-SD 3.99Å; L303-M307 WeakPolarHBondContact O-CB 3.49Å; L303-M307 VanDerWaalsContact O-CG 3.31Å; L303-M307 WeakPolarHBondContact O-CG 3.33Å; L303-M307 PolarHBondContact O-N 3.34Å; L303-V313 HydrophobicContact CD1-CG1 4.25Å; L303-V315 HydrophobicContact CD1-CG2 3.9Å
304	E	96.4	Very high	96.2	Very high	152 Å²	152	45.8 Å²	45.8	71%	0.71	23%	0.229	S	C	*	.	H	α-helix	trans	-60.8	-48.3	178.5	-175.1	171.8	-163.2	0	0	111	L302 Y306 M307 D308	L302-E304 VanDerWaalsContact C-N 3.33Å; L302-E304 PolarHBondContact O-N 3.36Å; E304-Y306 VanDerWaalsContact C-N 3.29Å; E304-Y306 PolarHBondContact O-N 3.41Å; E304-M307 PolarHBondContact O-N 3.48Å; E304-D308 WeakPolarHBondContact O-CB 3.28Å; E304-D308 VanDerWaalsContact O-CG 3.29Å; E304-D308 PolarHBondContact O-N 3.35Å
305	K	94.1	Very high	96.2	Very high	102 Å²	102	46.8 Å²	46.8	44%	0.443	24%	0.235	S	C	.	.	H	α-helix	trans	-59.1	-39.5	177.1	-174	174.8	-175.1	174.2	0	112.5	Q274 L302 S309	Q274-K305 HydrophobicContact CG-CD 4.43Å; L302-K305 WeakPolarHBondContact O-CB 3.44Å; L302-K305 PolarHBondContact O-N 3.28Å; L302-K305 VanDerWaalsContact O-N 3.11Å; K305-S309 WeakPolarHBondContact O-CB 3.49Å; K305-S309 PolarHBondContact O-N 3.04Å; K305-S309 PolarHBondContact O-OG 2.88Å
306	Y	97.4	Very high	96.1	Very high	17 Å²	17	53.2 Å²	53.2	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-45.7	176.3	-86.2	-114.7	0	0	0	111.4	D272 Q274 L295 L302 L303 E304 D308 S309 Y310	D272-Y306 PolarHBondContact O-OH 2.99Å; Q274-Y306 HydrophobicContact CG-CE2 4.35Å; Q274-Y306 VanDerWaalsContact NE2-CD2 3.33Å; L295-Y306 HydrophobicContact CB-CD1 4.1Å; L295-Y306 HydrophobicContact CB-CE1 4.39Å; L295-Y306 HydrophobicContact CB-CG 4.49Å; L295-Y306 HydrophobicContact CD1-CD1 4.25Å; L295-Y306 HydrophobicContact CD1-CD2 4.02Å; L295-Y306 HydrophobicContact CD1-CE1 4.14Å; L295-Y306 HydrophobicContact CD1-CE2 3.88Å; L295-Y306 HydrophobicContact CD1-CG 4.19Å; L295-Y306 HydrophobicContact CD2-CG 4.42Å; L302-Y306 HydrophobicContact CB-CD2 3.91Å; L302-Y306 HydrophobicContact CB-CE2 3.89Å; L302-Y306 HydrophobicContact CD1-CE2 4.22Å; L302-Y306 VanDerWaalsContact O-CD2 3.27Å; L302-Y306 WeakPolarHBondContact O-CD2 3.48Å; L302-Y306 PolarHBondContact O-N 3.27Å; L303-Y306 PolarHBondContact O-N 3.1Å; E304-Y306 VanDerWaalsContact C-N 3.29Å; E304-Y306 PolarHBondContact O-N 3.41Å; Y306-D308 PolarHBondContact O-N 2.57Å; Y306-S309 PolarHBondContact O-N 2.93Å; Y306-S309 VanDerWaalsContact O-N 3.09Å; Y306-Y310 AromaticContact CD1-CD2 3.91Å; Y306-Y310 HydrophobicContact CD1-CD2 3.91Å; Y306-Y310 HydrophobicContact CD1-CE2 4.05Å; Y306-Y310 HydrophobicContact CE1-CD2 4.49Å; Y306-Y310 HydrophobicContact CE1-CE2 4.17Å; Y306-Y310 HydrophobicContact CG-CD2 4.47Å; Y306-Y310 WeakPolarHBondContact O-CB 3.26Å; Y306-Y310 PolarHBondContact O-N 2.79Å
307	M	98.3	Very high	96.2	Very high	34 Å²	34	53.3 Å²	53.3	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-23.3	177.9	-74.8	-171.8	69.5	0	0	113.1	R56 K58 L303 E304 V313	R56-M307 HydrophobicContact CB-CE 4.33Å; R56-M307 HydrophobicContact CB-CG 4.29Å; R56-M307 HydrophobicContact CB-SD 3.98Å; K58-M307 HydrophobicContact CB-CB 4.29Å; K58-M307 HydrophobicContact CB-CE 4.04Å; K58-M307 VanDerWaalsContact CB-O 3.26Å; K58-M307 WeakPolarHBondContact CB-O 3.5Å; K58-M307 WeakPolarHBondContact CD-O 3.33Å; L303-M307 HydrophobicContact CD1-CG 3.86Å; L303-M307 HydrophobicContact CD1-SD 3.9Å; L303-M307 HydrophobicContact CD2-SD 4.49Å; L303-M307 HydrophobicContact CG-CG 4.28Å; L303-M307 HydrophobicContact CG-SD 3.99Å; L303-M307 WeakPolarHBondContact O-CB 3.49Å; L303-M307 VanDerWaalsContact O-CG 3.31Å; L303-M307 WeakPolarHBondContact O-CG 3.33Å; L303-M307 PolarHBondContact O-N 3.34Å; E304-M307 PolarHBondContact O-N 3.48Å; M307-V313 HydrophobicContact CG-CG2 4.05Å
308	D	98	Very high	96.5	Very high	89 Å²	89	51.9 Å²	51.9	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-80.3	-26	175.8	-77.3	17.8	0	0	0	113.2	K58 E304 Y306	K58-D308 WeakPolarHBondContact CD-OD1 3.47Å; K58-D308 WeakPolarHBondContact CE-OD1 3.24Å; K58-D308 IonicContact NZ-OD1 2.57Å; K58-D308 PolarHBondContact NZ-OD1 3.35Å; K58-D308 IonicContact NZ-OD2 3.35Å; K58-D308 PolarHBondContact NZ-OD2 2.77Å; E304-D308 WeakPolarHBondContact O-CB 3.28Å; E304-D308 VanDerWaalsContact O-CG 3.29Å; E304-D308 PolarHBondContact O-N 3.35Å; Y306-D308 PolarHBondContact O-N 2.57Å
309	S	97	Very high	96.9	Very high	44 Å²	44	49.5 Å²	49.5	31%	0.308	25%	0.249	S	C	.	.	H	α-helix	trans	-111.8	-28.6	-168.6	-47.6	0	0	0	0	113.7	Q274 L277 K305 Y306	Q274-S309 PolarHBondContact OE1-OG 3.2Å; L277-S309 VanDerWaalsContact CD1-CB 3.49Å; L277-S309 WeakPolarHBondContact CD2-O 3.2Å; K305-S309 WeakPolarHBondContact O-CB 3.49Å; K305-S309 PolarHBondContact O-N 3.04Å; K305-S309 PolarHBondContact O-OG 2.88Å; Y306-S309 PolarHBondContact O-N 2.93Å; Y306-S309 VanDerWaalsContact O-N 3.09Å
310	Y	98.8	Very high	97.1	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.027	24%	0.241	C	C	.	.			trans	-105.8	143.9	174.9	-75.9	-82.8	0	0	0	110.7	L269 S273 L277 K291 I292 G293 Y306	L269-Y310 HydrophobicContact CD2-CE1 4.16Å; S273-Y310 PolarHBondContact O-OH 3.47Å; L277-Y310 HydrophobicContact CD1-CE2 4.27Å; L277-Y310 HydrophobicContact CD2-CD1 3.79Å; L277-Y310 HydrophobicContact CD2-CD2 4.01Å; L277-Y310 HydrophobicContact CD2-CE1 3.5Å; L277-Y310 HydrophobicContact CD2-CE2 3.74Å; L277-Y310 HydrophobicContact CD2-CG 4.03Å; L277-Y310 VanDerWaalsContact CD2-CZ 3.46Å; L277-Y310 HydrophobicContact CG-CE1 4.31Å; L277-Y310 HydrophobicContact CG-CE2 3.95Å; K291-Y310 HydrophobicContact CB-CD1 3.73Å; K291-Y310 HydrophobicContact CB-CE1 4.3Å; I292-Y310 VanDerWaalsContact C-CD1 3.48Å; G293-Y310 VanDerWaalsContact CA-CD1 3.43Å; G293-Y310 VanDerWaalsContact N-CD1 3.27Å; Y306-Y310 AromaticContact CD1-CD2 3.91Å; Y306-Y310 HydrophobicContact CD1-CD2 3.91Å; Y306-Y310 HydrophobicContact CD1-CE2 4.05Å; Y306-Y310 HydrophobicContact CE1-CD2 4.49Å; Y306-Y310 HydrophobicContact CE1-CE2 4.17Å; Y306-Y310 HydrophobicContact CG-CD2 4.47Å; Y306-Y310 WeakPolarHBondContact O-CB 3.26Å; Y306-Y310 PolarHBondContact O-N 2.79Å
311	D	98.7	Very high	97.4	Very high	22 Å²	22	43.7 Å²	43.7	12%	0.118	21%	0.214	C	C	.	.	S	Bend	trans	-72.3	-38.7	177.8	-61.1	-65.6	0	0	0	111	R62 V63 L290 K291	R62-D311 IonicContact NE-OD1 3.35Å; V63-D311 HydrophobicContact CG2-CB 4.01Å; V63-D311 WeakPolarHBondContact CG2-O 3.44Å; L290-D311 HydrophobicContact CD1-CB 3.8Å; K291-D311 PolarHBondContact N-OD2 2.77Å; K291-D311 PolarHBondContact O-N 3.44Å
312	I	98.8	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.4	175.4	-54.4	175.1	0	0	0	108.4	F50 V55 I57 V63 L290 K291 I292 G293 L314 V322 I326	F50-I312 HydrophobicContact CE1-CD1 3.69Å; F50-I312 HydrophobicContact CZ-CD1 4Å; V55-I312 HydrophobicContact CG1-CG2 4.18Å; I57-I312 HydrophobicContact CD1-CG1 4.18Å; I57-I312 HydrophobicContact CD1-CG2 4.48Å; I57-I312 HydrophobicContact CG1-CB 4.4Å; I57-I312 HydrophobicContact CG1-CG1 4.14Å; I57-I312 HydrophobicContact CG1-CG2 4.18Å; V63-I312 HydrophobicContact CG1-CD1 3.93Å; V63-I312 HydrophobicContact CG1-CG1 4.01Å; V63-I312 HydrophobicContact CG2-CG1 4.18Å; L290-I312 HydrophobicContact CD1-CD1 4.19Å; L290-I312 HydrophobicContact CD1-CG1 4.39Å; L290-I312 HydrophobicContact CD2-CD1 4.21Å; K291-I312 PolarHBondContact O-N 3.39Å; K291-I312 VanDerWaalsContact O-N 3.12Å; I292-I312 CarbonylContact C-O 3.53Å; I292-I312 WeakPolarHBondContact CA-O 3.38Å; I292-I312 HydrophobicContact CD1-CD1 4.45Å; I292-I312 HydrophobicContact CG1-CB 4.36Å; I292-I312 HydrophobicContact CG1-CD1 4.36Å; I292-I312 HydrophobicContact CG2-CB 4.33Å; I292-I312 HydrophobicContact CG2-CG2 4.38Å; G293-I312 PolarHBondContact N-O 2.85Å; I312-L314 HydrophobicContact CG2-CD2 3.98Å; I312-L314 HydrophobicContact CG2-CG 4.5Å; I312-V322 HydrophobicContact CD1-CG1 4.39Å; I312-V322 HydrophobicContact CG2-CG1 4.46Å; I312-I326 HydrophobicContact CD1-CD1 4.25Å
313	V	98.9	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.8	172.8	-179.2	0	0	0	0	109.2	R56 G293 L295 L303 M307 V315	R56-V313 HydrophobicContact CB-CB 4.22Å; R56-V313 PolarHBondContact N-O 3.3Å; R56-V313 PolarHBondContact O-N 2.91Å; G293-V313 CarbonylContact O-C 3.51Å; G293-V313 WeakPolarHBondContact O-CA 3.44Å; L295-V313 HydrophobicContact CB-CG1 3.79Å; L295-V313 HydrophobicContact CD2-CG1 4.32Å; L303-V313 HydrophobicContact CD1-CG1 4.25Å; M307-V313 HydrophobicContact CG-CG2 4.05Å; V313-V315 HydrophobicContact CG1-CG2 4.18Å
314	L	98.9	Very high	98.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	101.9	177.3	-57.5	-178.9	0	0	0	108.8	S54 V55 I292 G293 Y294 L295 I312 Q316 D317 V322	S54-L314 WeakPolarHBondContact O-CA 3.19Å; V55-L314 HydrophobicContact CG2-CD2 3.84Å; I292-L314 HydrophobicContact CG2-CD1 3.68Å; I292-L314 HydrophobicContact CG2-CG 3.92Å; G293-L314 PolarHBondContact O-N 2.81Å; Y294-L314 HydrophobicContact CD1-CB 3.99Å; Y294-L314 HydrophobicContact CD1-CD1 4.17Å; Y294-L314 HydrophobicContact CE1-CB 4.16Å; Y294-L314 HydrophobicContact CE1-CD1 3.57Å; Y294-L314 HydrophobicContact CE2-CD1 4.18Å; L295-L314 PolarHBondContact N-O 2.63Å; I312-L314 HydrophobicContact CG2-CD2 3.98Å; I312-L314 HydrophobicContact CG2-CG 4.5Å; L314-Q316 PolarHBondContact O-N 3.44Å; L314-D317 HydrophobicContact CB-CB 3.83Å; L314-V322 HydrophobicContact CD1-CB 4.4Å; L314-V322 HydrophobicContact CD2-CB 4.24Å; L314-V322 HydrophobicContact CD2-CG1 4.48Å; L314-V322 HydrophobicContact CD2-CG2 3.85Å
315	V	98.6	Very high	98.2	Very high	21 Å²	21	29.1 Å²	29.1	13%	0.127	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.9	-176.6	179.8	0	0	0	0	109.5	S54 R56 L295 V299 L303 V313 D317	S54-V315 VanDerWaalsContact CB-O 3.25Å; S54-V315 WeakPolarHBondContact CB-O 3.34Å; S54-V315 PolarHBondContact O-N 2.8Å; R56-V315 HydrophobicContact CG-CG2 3.7Å; L295-V315 HydrophobicContact CD2-CG2 4.48Å; V299-V315 HydrophobicContact CB-CG1 4.25Å; V299-V315 HydrophobicContact CG1-CG1 3.48Å; V299-V315 VanDerWaalsContact CG1-CG1 3.48Å; V299-V315 HydrophobicContact CG1-CG2 4.46Å; V299-V315 HydrophobicContact CG2-CG1 3.7Å; L303-V315 HydrophobicContact CD1-CG2 3.9Å; V313-V315 HydrophobicContact CG1-CG2 4.18Å; V315-D317 PolarHBondContact O-N 3.35Å
316	Q	97.8	Very high	98.4	Very high	135 Å²	135	24.2 Å²	24.2	63%	0.631	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	40.7	177.4	-60.2	-179.9	-43.4	0	0	113.2	L295 V299 L314	L295-Q316 PolarHBondContact O-N 2.85Å; V299-Q316 HydrophobicContact CG2-CG 3.96Å; L314-Q316 PolarHBondContact O-N 3.44Å
317	D	98.3	Very high	98.4	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.064	12%	0.122	C	C	.	.			trans	-99	123.4	-178.9	-158.3	-51.1	0	0	0	110.7	S54 K177 Y294 L314 V315 S319	S54-D317 WeakPolarHBondContact CB-OD2 3.12Å; S54-D317 PolarHBondContact OG-OD2 2.8Å; K177-D317 PolarHBondContact NZ-O 2.64Å; Y294-D317 HydrophobicContact CD1-CB 4.46Å; Y294-D317 WeakPolarHBondContact CD1-O 3.24Å; Y294-D317 HydrophobicContact CE1-CB 4.31Å; Y294-D317 WeakPolarHBondContact CE1-O 3.03Å; L314-D317 HydrophobicContact CB-CB 3.83Å; V315-D317 PolarHBondContact O-N 3.35Å; D317-S319 WeakPolarHBondContact OD1-CA 3.2Å; D317-S319 WeakPolarHBondContact OD1-CB 3.42Å; D317-S319 PolarHBondContact OD1-N 3.42Å; D317-S319 PolarHBondContact OD1-OG 3.33Å
318	E	98.4	Very high	98.4	Very high	33 Å²	33	27.3 Å²	27.3	15%	0.154	14%	0.14	C	C	.	.			trans	-101.9	21.3	179.4	-58.1	-67	-167	0	0	113	R90 F91 S92 K177 E178	R90-E318 WeakPolarHBondContact CA-OE2 3.27Å; R90-E318 WeakPolarHBondContact CB-OE2 3.46Å; R90-E318 HydrophobicContact CG-CB 4.33Å; F91-E318 WeakPolarHBondContact CA-OE1 3.18Å; F91-E318 WeakPolarHBondContact CB-OE1 3.38Å; F91-E318 PolarHBondContact N-OE1 3.11Å; F91-E318 VanDerWaalsContact N-OE1 3.13Å; F91-E318 PolarHBondContact N-OE2 2.81Å; S92-E318 PolarHBondContact N-OE1 3.2Å; S92-E318 PolarHBondContact OG-OE1 2.86Å; K177-E318 CarbonylContact C-O 3.53Å; K177-E318 VanDerWaalsContact CA-O 3.29Å; K177-E318 WeakPolarHBondContact CA-O 3.43Å; K177-E318 WeakPolarHBondContact CB-O 3.29Å; K177-E318 IonicContact NZ-OE2 2.69Å; K177-E318 PolarHBondContact NZ-OE2 2.97Å; E178-E318 PolarHBondContact N-O 3.34Å
319	S	98.6	Very high	98.3	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-122.1	160.9	179.6	79.7	0	0	0	0	112.9	E178 Y294 D317 E321	E178-S319 WeakPolarHBondContact O-CA 3.39Å; Y294-S319 WeakPolarHBondContact CE1-O 3.22Å; Y294-S319 PolarHBondContact OH-O 2.82Å; D317-S319 WeakPolarHBondContact OD1-CA 3.2Å; D317-S319 WeakPolarHBondContact OD1-CB 3.42Å; D317-S319 PolarHBondContact OD1-N 3.42Å; D317-S319 PolarHBondContact OD1-OG 3.33Å; S319-E321 PolarHBondContact OG-N 2.9Å
320	L	98.8	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.			trans	-102.7	15.7	169	-72.2	161.1	0	0	0	111.7	L88 K177 E178 F183 L270 Y294 V322 A323 N324	L88-L320 HydrophobicContact CD2-CD1 4.23Å; L88-L320 HydrophobicContact CD2-CD2 4.19Å; K177-L320 HydrophobicContact CB-CD1 4.26Å; K177-L320 HydrophobicContact CB-CG 4.03Å; E178-L320 PolarHBondContact O-N 2.93Å; F183-L320 HydrophobicContact CB-CD1 4.08Å; F183-L320 HydrophobicContact CD1-CD1 4.47Å; F183-L320 HydrophobicContact CG-CD1 4.17Å; L270-L320 HydrophobicContact CD1-CD2 4.3Å; Y294-L320 WeakPolarHBondContact OH-CD2 3.3Å; L320-V322 PolarHBondContact O-N 3.49Å; L320-A323 PolarHBondContact O-N 3.46Å; L320-N324 WeakPolarHBondContact O-CB 3.48Å; L320-N324 PolarHBondContact O-N 3.33Å
321	E	98.2	Very high	98.1	Very high	66 Å²	66	29.2 Å²	29.2	31%	0.308	14%	0.141	S	C	.	.	H	α-helix	trans	-59.3	-41.6	-172.6	-78	-178.4	-129.4	0	0	113.5	K52 S319 N324 S325	K52-E321 WeakPolarHBondContact CE-OE2 3.36Å; K52-E321 IonicContact NZ-OE1 2.71Å; K52-E321 PolarHBondContact NZ-OE1 2.88Å; K52-E321 IonicContact NZ-OE2 2.72Å; K52-E321 PolarHBondContact NZ-OE2 3.49Å; S319-E321 PolarHBondContact OG-N 2.9Å; E321-N324 PolarHBondContact O-N 2.93Å; E321-S325 VanDerWaalsContact O-CB 3.32Å; E321-S325 WeakPolarHBondContact O-CB 3.4Å; E321-S325 PolarHBondContact O-N 3.1Å; E321-S325 PolarHBondContact O-OG 3.02Å
322	V	98.5	Very high	98.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-48.1	177.8	174.9	0	0	0	0	110.5	E49 F50 V55 I312 L314 L320 N324 S325 I326	E49-V322 HydrophobicContact CB-CG2 4.31Å; F50-V322 HydrophobicContact CE2-CG1 4.01Å; F50-V322 HydrophobicContact CZ-CG1 3.98Å; V55-V322 HydrophobicContact CG2-CG2 3.91Å; I312-V322 HydrophobicContact CD1-CG1 4.39Å; I312-V322 HydrophobicContact CG2-CG1 4.46Å; L314-V322 HydrophobicContact CD1-CB 4.4Å; L314-V322 HydrophobicContact CD2-CB 4.24Å; L314-V322 HydrophobicContact CD2-CG1 4.48Å; L314-V322 HydrophobicContact CD2-CG2 3.85Å; L320-V322 PolarHBondContact O-N 3.49Å; V322-N324 PolarHBondContact O-N 3.19Å; V322-S325 PolarHBondContact O-N 3.43Å; V322-S325 PolarHBondContact O-OG 2.93Å; V322-I326 HydrophobicContact CG1-CD1 4.13Å; V322-I326 WeakPolarHBondContact O-CD1 3.36Å; V322-I326 WeakPolarHBondContact O-CG1 3.27Å; V322-I326 PolarHBondContact O-N 3.35Å; V322-I326 VanDerWaalsContact O-N 3.16Å
323	A	98.5	Very high	98.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-46.1	176.1	0	0	0	0	0	111.6	F183 L270 I292 L320 S325 I326 L327	F183-A323 HydrophobicContact CD2-CB 4.43Å; F183-A323 HydrophobicContact CE2-CB 4.21Å; L270-A323 HydrophobicContact CD2-CB 4.37Å; I292-A323 HydrophobicContact CD1-CB 4.43Å; L320-A323 PolarHBondContact O-N 3.46Å; A323-S325 VanDerWaalsContact C-N 3.34Å; A323-S325 PolarHBondContact O-N 2.93Å; A323-I326 WeakPolarHBondContact O-CB 3.34Å; A323-I326 PolarHBondContact O-N 3.49Å; A323-L327 WeakPolarHBondContact O-CG 3.23Å; A323-L327 PolarHBondContact O-N 2.94Å
324	N	98.8	Very high	98	Very high	14 Å²	14	32.8 Å²	32.8	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-40	177.2	-78.5	-21.7	0	0	0	112.6	G179 F183 L320 E321 V322 I326 L327 Q328	G179-N324 PolarHBondContact O-ND2 2.69Å; F183-N324 WeakPolarHBondContact CA-OD1 3.39Å; F183-N324 VanDerWaalsContact CB-OD1 3.27Å; F183-N324 WeakPolarHBondContact CB-OD1 3.45Å; F183-N324 PolarHBondContact N-OD1 2.81Å; L320-N324 WeakPolarHBondContact O-CB 3.48Å; L320-N324 PolarHBondContact O-N 3.33Å; E321-N324 PolarHBondContact O-N 2.93Å; V322-N324 PolarHBondContact O-N 3.19Å; N324-I326 VanDerWaalsContact C-N 3.31Å; N324-I326 PolarHBondContact O-N 3.48Å; N324-L327 PolarHBondContact O-N 3.04Å; N324-Q328 WeakPolarHBondContact O-CB 3.45Å; N324-Q328 PolarHBondContact O-N 3.28Å
325	S	98.1	Very high	98	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-35.2	177.6	75.6	0	0	0	0	112.1	M47 E49 E321 V322 A323 Q328 K329	M47-S325 WeakPolarHBondContact CE-OG 3.41Å; E49-S325 VanDerWaalsContact CD-CB 3.48Å; E321-S325 VanDerWaalsContact O-CB 3.32Å; E321-S325 WeakPolarHBondContact O-CB 3.4Å; E321-S325 PolarHBondContact O-N 3.1Å; E321-S325 PolarHBondContact O-OG 3.02Å; V322-S325 PolarHBondContact O-N 3.43Å; V322-S325 PolarHBondContact O-OG 2.93Å; A323-S325 VanDerWaalsContact C-N 3.34Å; A323-S325 PolarHBondContact O-N 2.93Å; S325-Q328 WeakPolarHBondContact O-CB 3.39Å; S325-Q328 PolarHBondContact O-N 3.16Å; S325-K329 PolarHBondContact O-N 3.16Å
326	I	98.3	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.1	-48.8	174.3	-64.9	157.7	0	0	0	109.9	F50 I67 L70 I268 L290 I292 I312 V322 A323 N324 Q328 K329 I330	F50-I326 HydrophobicContact CE2-CD1 4.48Å; F50-I326 HydrophobicContact CE2-CG1 4.12Å; F50-I326 HydrophobicContact CZ-CD1 3.93Å; F50-I326 HydrophobicContact CZ-CG1 3.89Å; I67-I326 HydrophobicContact CD1-CD1 4.45Å; I67-I326 HydrophobicContact CD1-CG1 4.21Å; L70-I326 HydrophobicContact CD1-CG2 4.44Å; I268-I326 HydrophobicContact CD1-CG2 4Å; L290-I326 HydrophobicContact CD2-CD1 3.67Å; L290-I326 HydrophobicContact CD2-CG2 4.49Å; I292-I326 HydrophobicContact CD1-CD1 3.89Å; I312-I326 HydrophobicContact CD1-CD1 4.25Å; V322-I326 HydrophobicContact CG1-CD1 4.13Å; V322-I326 WeakPolarHBondContact O-CD1 3.36Å; V322-I326 WeakPolarHBondContact O-CG1 3.27Å; V322-I326 PolarHBondContact O-N 3.35Å; V322-I326 VanDerWaalsContact O-N 3.16Å; A323-I326 WeakPolarHBondContact O-CB 3.34Å; A323-I326 PolarHBondContact O-N 3.49Å; N324-I326 VanDerWaalsContact C-N 3.31Å; N324-I326 PolarHBondContact O-N 3.48Å; I326-Q328 PolarHBondContact O-N 3.12Å; I326-K329 PolarHBondContact O-N 3.06Å; I326-I330 HydrophobicContact CG2-CD1 3.62Å; I326-I330 HydrophobicContact CG2-CG1 4.4Å; I326-I330 WeakPolarHBondContact O-CG1 3.2Å; I326-I330 PolarHBondContact O-N 3.44Å; I326-I330 VanDerWaalsContact O-N 3.13Å
327	L	98.4	Very high	97.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-30.9	173.8	-66.3	175.6	0	0	0	111.8	L78 I80 F183 K186 L187 I268 A323 N324 K329 I330 L331	L78-L327 HydrophobicContact CD2-CD2 3.81Å; I80-L327 HydrophobicContact CD1-CD2 4.27Å; F183-L327 HydrophobicContact CD2-CD1 3.67Å; F183-L327 HydrophobicContact CE2-CD1 3.79Å; K186-L327 PolarHBondContact NZ-O 3.3Å; L187-L327 HydrophobicContact CD1-CD1 4.34Å; L187-L327 HydrophobicContact CD2-CD1 3.98Å; L187-L327 HydrophobicContact CD2-CD2 3.86Å; L187-L327 HydrophobicContact CG-CD1 4.09Å; I268-L327 HydrophobicContact CD1-CD2 3.95Å; A323-L327 WeakPolarHBondContact O-CG 3.23Å; A323-L327 PolarHBondContact O-N 2.94Å; N324-L327 PolarHBondContact O-N 3.04Å; L327-K329 VanDerWaalsContact C-N 3.27Å; L327-K329 PolarHBondContact O-N 2.78Å; L327-I330 PolarHBondContact O-N 2.65Å; L327-L331 HydrophobicContact CB-CD1 4.44Å; L327-L331 HydrophobicContact CD2-CD1 4.22Å; L327-L331 WeakPolarHBondContact O-CB 3.43Å; L327-L331 PolarHBondContact O-N 3.19Å
328	Q	97.1	Very high	97.9	Very high	113 Å²	113	30.1 Å²	30.1	53%	0.528	14%	0.144	S	C	.	.	H	α-helix	trans	-66.3	-26.1	174.6	-169	53.7	39.2	0	0	114	K186 N324 S325 I326	K186-Q328 VanDerWaalsContact NZ-CA 3.34Å; N324-Q328 WeakPolarHBondContact O-CB 3.45Å; N324-Q328 PolarHBondContact O-N 3.28Å; S325-Q328 WeakPolarHBondContact O-CB 3.39Å; S325-Q328 PolarHBondContact O-N 3.16Å; I326-Q328 PolarHBondContact O-N 3.12Å
329	K	96.4	Very high	97.9	Very high	116 Å²	116	29.9 Å²	29.9	50%	0.504	14%	0.143	S	C	.	.	H	α-helix	trans	-89	-27	175.6	-59.5	-55.8	-176.7	-175.7	0	113.1	M47 I71 S325 I326 L327	M47-K329 HydrophobicContact CE-CG 4.31Å; I71-K329 HydrophobicContact CD1-CB 3.78Å; I71-K329 HydrophobicContact CG1-CB 4.01Å; S325-K329 PolarHBondContact O-N 3.16Å; I326-K329 PolarHBondContact O-N 3.06Å; L327-K329 VanDerWaalsContact C-N 3.27Å; L327-K329 PolarHBondContact O-N 2.78Å
330	I	97.1	Very high	97.8	Very high	13 Å²	13	32 Å²	32	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-84.3	-43.7	-177.5	-59.7	163.1	0	0	0	111.9	L70 I71 L78 I268 I326 L327	L70-I330 HydrophobicContact CB-CD1 3.65Å; L70-I330 HydrophobicContact CB-CG1 4.02Å; L70-I330 HydrophobicContact CD1-CD1 4.1Å; L70-I330 HydrophobicContact CG-CD1 4.48Å; I71-I330 HydrophobicContact CG1-CG1 4.01Å; L78-I330 HydrophobicContact CD2-CD1 4.47Å; L78-I330 HydrophobicContact CD2-CG2 4.17Å; I268-I330 HydrophobicContact CD1-CD1 4.02Å; I326-I330 HydrophobicContact CG2-CD1 3.62Å; I326-I330 HydrophobicContact CG2-CG1 4.4Å; I326-I330 WeakPolarHBondContact O-CG1 3.2Å; I326-I330 PolarHBondContact O-N 3.44Å; I326-I330 VanDerWaalsContact O-N 3.13Å; L327-I330 PolarHBondContact O-N 2.65Å
331	L	95.5	Very high	97.7	Very high	51 Å²	51	34.9 Å²	34.9	27%	0.267	17%	0.166	S	C	.	.			trans	-103.4	0	-167.5	-57.5	177.6	0	0	0	113.4	A75 L78 K186 L187 H190 I192 L327	A75-L331 HydrophobicContact CB-CD2 3.58Å; L78-L331 HydrophobicContact CD2-CD2 4.21Å; K186-L331 HydrophobicContact CD-CB 4.45Å; K186-L331 HydrophobicContact CD-CD1 4.39Å; K186-L331 HydrophobicContact CG-CD1 4.07Å; K186-L331 PolarHBondContact NZ-O 3.29Å; L187-L331 HydrophobicContact CD2-CD1 4.44Å; H190-L331 HydrophobicContact CB-CD1 4.33Å; H190-L331 HydrophobicContact CB-CD2 4.09Å; H190-L331 PolarHBondContact CE1-OXT 3.32Å; I192-L331 HydrophobicContact CD1-CD2 3.75Å; I192-L331 HydrophobicContact CG1-CD1 4.07Å; I192-L331 HydrophobicContact CG1-CD2 4.02Å; L327-L331 HydrophobicContact CB-CD1 4.44Å; L327-L331 HydrophobicContact CD2-CD1 4.22Å; L327-L331 WeakPolarHBondContact O-CB 3.43Å; L327-L331 PolarHBondContact O-N 3.19Å

Retrieved 331 of 331 residues in 262.7 ms (Link to these results)

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