A0A077Z2F8_TRITR Loading...

Adh short domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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	44.9	Very low	63.7	Low	239 Å²	239	124.8 Å²	124.8	100%	1.177	72%	0.716	S	S	*	*				0	113.5	0	-80.1	170.4	148.4	0	0	107.8	L3	M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.09Å
2	S	46.4	Very low	65.3	Low	119 Å²	119	120.3 Å²	120.3	83%	0.832	69%	0.692	S	S	*	*			trans	-58.8	106.4	-179	159.6	0	0	0	0	109.8	G4	S2-G4 VanDerWaalsContact C-N 3.31Å; S2-G4 PolarHBondContact O-N 3.49Å
3	L	53.4	Low	67	Low	171 Å²	171	115.4 Å²	115.4	90%	0.895	68%	0.675	S	S	*	*			trans	-69	97.3	162.9	-92.6	111.6	0	0	0	106.3	M1 M5	M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-M5 PolarHBondContact O-N 3.45Å; L3-M5 VanDerWaalsContact O-N 3.08Å
4	G	54.9	Low	68.5	Low	61 Å²	61	110 Å²	110	63%	0.629	66%	0.656	S	S	*	*			trans	-56.6	112.4	-178.5	0	0	0	0	0	110.7	S2 V6	S2-G4 VanDerWaalsContact C-N 3.31Å; S2-G4 PolarHBondContact O-N 3.49Å; G4-V6 PolarHBondContact O-N 3.28Å; G4-V6 VanDerWaalsContact O-N 3.07Å
5	M	60.5	Low	70.1	Confident	175 Å²	175	105.3 Å²	105.3	86%	0.862	64%	0.64	S	S	*	*			trans	-54	115.6	161	-65.7	-166.8	-56.2	0	0	106.8	L3 P7	L3-M5 PolarHBondContact O-N 3.45Å; L3-M5 VanDerWaalsContact O-N 3.08Å; M5-P7 WeakPolarHBondContact O-CD 3.31Å
6	V	64	Low	71.5	Confident	101 Å²	101	104.6 Å²	104.6	61%	0.612	64%	0.635	S	S	*	*			trans	-53.5	117.2	164.2	176.4	0	0	0	0	105.5	G4 F8 L10	G4-V6 PolarHBondContact O-N 3.28Å; G4-V6 VanDerWaalsContact O-N 3.07Å; V6-F8 PolarHBondContact O-N 2.87Å; V6-L10 HydrophobicContact CG1-CB 3.99Å
7	P	73.1	Confident	72.7	Confident	68 Å²	68	102 Å²	102	44%	0.442	63%	0.627	S	S	.	*			trans	-56.4	129.7	-177.2	11.5	-21.1	0	0	0	108.4	M5 T9 L10 A11	M5-P7 WeakPolarHBondContact O-CD 3.31Å; P7-T9 PolarHBondContact O-N 3.45Å; P7-L10 HydrophobicContact CG-CB 4.48Å; P7-L10 HydrophobicContact CG-CD1 3.67Å; P7-L10 HydrophobicContact CG-CG 3.97Å; P7-L10 WeakPolarHBondContact O-CB 3.42Å; P7-L10 PolarHBondContact O-N 3.31Å; P7-A11 PolarHBondContact O-N 3.46Å
8	F	75.2	Confident	73.8	Confident	168 Å²	168	105.3 Å²	105.3	74%	0.737	63%	0.628	S	S	*	*	H	α-helix	trans	-46.5	-32.9	-176.4	176.4	-99.5	0	0	0	112.6	V6 L10 A11 V12	V6-F8 PolarHBondContact O-N 2.87Å; F8-L10 PolarHBondContact O-N 3.47Å; F8-A11 PolarHBondContact O-N 3.44Å; F8-V12 HydrophobicContact CD1-CG2 4.06Å; F8-V12 HydrophobicContact CE1-CG2 3.69Å; F8-V12 HydrophobicContact CE2-CG2 4.28Å; F8-V12 HydrophobicContact CZ-CG2 3.81Å; F8-V12 WeakPolarHBondContact O-CG2 3.28Å; F8-V12 PolarHBondContact O-N 2.9Å
9	T	74.5	Confident	74.9	Confident	102 Å²	102	102.8 Å²	102.8	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-60	-40.3	174.1	53.7	0	0	0	0	114.1	P7 A13	P7-T9 PolarHBondContact O-N 3.45Å; T9-A13 VanDerWaalsContact O-CB 3.3Å; T9-A13 WeakPolarHBondContact O-CB 3.41Å; T9-A13 PolarHBondContact O-N 3.47Å
10	L	75.5	Confident	75.8	Confident	109 Å²	109	102.5 Å²	102.5	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-68.6	-38.8	175.5	-73.8	178.8	0	0	0	111.8	V6 P7 F8 A13 G14	V6-L10 HydrophobicContact CG1-CB 3.99Å; P7-L10 HydrophobicContact CG-CB 4.48Å; P7-L10 HydrophobicContact CG-CD1 3.67Å; P7-L10 HydrophobicContact CG-CG 3.97Å; P7-L10 WeakPolarHBondContact O-CB 3.42Å; P7-L10 PolarHBondContact O-N 3.31Å; F8-L10 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 2.9Å; L10-G14 PolarHBondContact O-N 3.47Å
11	A	78.2	Confident	76.7	Confident	60 Å²	60	104.7 Å²	104.7	50%	0.496	61%	0.612	S	S	.	*	H	α-helix	trans	-64.9	-43.7	176.3	0	0	0	0	0	111.4	P7 F8 G14 G15	P7-A11 PolarHBondContact O-N 3.46Å; F8-A11 PolarHBondContact O-N 3.44Å; A11-G14 PolarHBondContact O-N 3.29Å; A11-G15 PolarHBondContact O-N 2.92Å
12	V	83.4	Confident	78.9	Confident	71 Å²	71	95.8 Å²	95.8	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-64	-46.5	175.3	173.3	0	0	0	0	111.2	F8 G14 G15 V16	F8-V12 HydrophobicContact CD1-CG2 4.06Å; F8-V12 HydrophobicContact CE1-CG2 3.69Å; F8-V12 HydrophobicContact CE2-CG2 4.28Å; F8-V12 HydrophobicContact CZ-CG2 3.81Å; F8-V12 WeakPolarHBondContact O-CG2 3.28Å; F8-V12 PolarHBondContact O-N 2.9Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 3.48Å; V12-G15 PolarHBondContact O-N 2.79Å; V12-V16 HydrophobicContact CG1-CG2 4.47Å; V12-V16 WeakPolarHBondContact O-CG2 3.38Å; V12-V16 PolarHBondContact O-N 3.49Å
13	A	86.7	Confident	81.1	Confident	56 Å²	56	97.2 Å²	97.2	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-60.7	-42.7	177.4	0	0	0	0	0	112.2	T9 L10 V16 A17	T9-A13 VanDerWaalsContact O-CB 3.3Å; T9-A13 WeakPolarHBondContact O-CB 3.41Å; T9-A13 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 2.9Å; A13-V16 PolarHBondContact O-N 3.44Å; A13-A17 VanDerWaalsContact O-CB 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.29Å; A13-A17 PolarHBondContact O-N 3.16Å
14	G	88.9	Confident	83	Confident	40 Å²	40	92.7 Å²	92.7	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.3	0	0	0	0	0	112.7	L10 A11 V12 A17 Y18	L10-G14 PolarHBondContact O-N 3.47Å; A11-G14 PolarHBondContact O-N 3.29Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 3.48Å; G14-A17 PolarHBondContact O-N 3.4Å; G14-Y18 VanDerWaalsContact O-CB 3.3Å; G14-Y18 WeakPolarHBondContact O-CB 3.41Å; G14-Y18 PolarHBondContact O-N 2.74Å
15	G	91.4	Very high	84.6	Confident	40 Å²	40	91.9 Å²	91.9	41%	0.412	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-46.3	175.2	0	0	0	0	0	113	A11 V12 Y18 A19	A11-G15 PolarHBondContact O-N 2.92Å; V12-G15 PolarHBondContact O-N 2.79Å; G15-Y18 PolarHBondContact O-N 2.94Å; G15-A19 WeakPolarHBondContact O-CB 3.3Å; G15-A19 PolarHBondContact O-N 3.33Å
16	V	92.4	Very high	86	Confident	94 Å²	94	85.1 Å²	85.1	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-64.5	-44.6	176.4	174.2	0	0	0	0	111	V12 A13 Y18 A19 L20	V12-V16 HydrophobicContact CG1-CG2 4.47Å; V12-V16 WeakPolarHBondContact O-CG2 3.38Å; V12-V16 PolarHBondContact O-N 3.49Å; A13-V16 PolarHBondContact O-N 3.44Å; V16-Y18 PolarHBondContact O-N 2.92Å; V16-A19 PolarHBondContact O-N 3.18Å; V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 PolarHBondContact O-N 2.92Å
17	A	93	Very high	87.2	Confident	60 Å²	60	83.7 Å²	83.7	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-42.4	177.4	0	0	0	0	0	112	A13 G14 L20 Y21	A13-A17 VanDerWaalsContact O-CB 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.29Å; A13-A17 PolarHBondContact O-N 3.16Å; G14-A17 PolarHBondContact O-N 3.4Å; A17-L20 PolarHBondContact O-N 3.29Å; A17-Y21 WeakPolarHBondContact O-CB 3.18Å; A17-Y21 PolarHBondContact O-N 3.07Å
18	Y	92.6	Very high	88	Confident	162 Å²	162	88.5 Å²	88.5	64%	0.635	50%	0.495	S	S	*	.	H	α-helix	trans	-65.8	-42.4	175.6	-178	-104.5	0	0	0	112.2	G14 G15 V16 Y21 C22	G14-Y18 VanDerWaalsContact O-CB 3.3Å; G14-Y18 WeakPolarHBondContact O-CB 3.41Å; G14-Y18 PolarHBondContact O-N 2.74Å; G15-Y18 PolarHBondContact O-N 2.94Å; V16-Y18 PolarHBondContact O-N 2.92Å; Y18-Y21 PolarHBondContact O-N 3.42Å; Y18-C22 WeakPolarHBondContact O-CB 3.43Å; Y18-C22 PolarHBondContact O-N 3.48Å; Y18-C22 PolarHBondContact O-SG 3.48Å; Y18-C22 VanDerWaalsContact O-SG 3.35Å
19	A	93.6	Very high	88.7	Confident	58 Å²	58	82.7 Å²	82.7	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175.3	0	0	0	0	0	111.6	G15 V16 C22 Y23	G15-A19 WeakPolarHBondContact O-CB 3.3Å; G15-A19 PolarHBondContact O-N 3.33Å; V16-A19 PolarHBondContact O-N 3.18Å; A19-C22 PolarHBondContact O-N 3.36Å; A19-Y23 WeakPolarHBondContact O-CB 3.48Å; A19-Y23 PolarHBondContact O-N 2.8Å
20	L	94	Very high	89.3	Confident	96 Å²	96	81.5 Å²	81.5	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-43.2	175	-178.4	62.2	0	0	0	111.5	V16 A17 Y23 L24	V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 PolarHBondContact O-N 2.92Å; A17-L20 PolarHBondContact O-N 3.29Å; L20-Y23 PolarHBondContact O-N 2.88Å; L20-L24 HydrophobicContact CD1-CD1 4.08Å; L20-L24 HydrophobicContact CD1-CG 4.04Å; L20-L24 HydrophobicContact CG-CD1 3.94Å; L20-L24 HydrophobicContact CG-CG 4.3Å; L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 2.98Å
21	Y	93.5	Very high	90.1	Very high	148 Å²	148	85.8 Å²	85.8	58%	0.58	48%	0.475	S	S	*	.	H	α-helix	trans	-59.2	-46.8	174.4	169.6	-97.2	0	0	0	111.9	A17 Y18 Y23 L24 S25	A17-Y21 WeakPolarHBondContact O-CB 3.18Å; A17-Y21 PolarHBondContact O-N 3.07Å; Y18-Y21 PolarHBondContact O-N 3.42Å; Y21-Y23 VanDerWaalsContact C-N 3.33Å; Y21-Y23 PolarHBondContact O-N 3.34Å; Y21-L24 PolarHBondContact O-N 3.41Å; Y21-S25 VanDerWaalsContact O-CB 3.26Å; Y21-S25 WeakPolarHBondContact O-CB 3.2Å; Y21-S25 PolarHBondContact O-N 3.49Å; Y21-S25 PolarHBondContact O-OG 3.28Å
22	C	92.2	Very high	90.8	Very high	53 Å²	53	87 Å²	87	36%	0.358	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-42.1	175.7	-74.4	0	0	0	0	111.7	Y18 A19 S25 G26	Y18-C22 WeakPolarHBondContact O-CB 3.43Å; Y18-C22 PolarHBondContact O-N 3.48Å; Y18-C22 PolarHBondContact O-SG 3.48Å; Y18-C22 VanDerWaalsContact O-SG 3.35Å; A19-C22 PolarHBondContact O-N 3.36Å; C22-S25 WeakPolarHBondContact CA-OG 3.17Å; C22-S25 PolarHBondContact O-OG 3.07Å; C22-G26 PolarHBondContact O-N 3.18Å
23	Y	91.7	Very high	91.3	Very high	149 Å²	149	85.1 Å²	85.1	58%	0.584	46%	0.455	S	S	*	.	H	α-helix	trans	-64.4	-50	176.7	179.3	-103.8	0	0	0	112.2	A19 L20 Y21 S25 G26 L27	A19-Y23 WeakPolarHBondContact O-CB 3.48Å; A19-Y23 PolarHBondContact O-N 2.8Å; L20-Y23 PolarHBondContact O-N 2.88Å; Y21-Y23 VanDerWaalsContact C-N 3.33Å; Y21-Y23 PolarHBondContact O-N 3.34Å; Y23-S25 PolarHBondContact O-N 3.25Å; Y23-G26 PolarHBondContact O-N 3.25Å; Y23-L27 HydrophobicContact CD1-CD1 4.05Å; Y23-L27 HydrophobicContact CE1-CD1 3.41Å; Y23-L27 VanDerWaalsContact CE1-CD1 3.41Å; Y23-L27 HydrophobicContact CE1-CG 4.12Å; Y23-L27 PolarHBondContact O-N 3.46Å
24	L	92.9	Very high	91.6	Very high	75 Å²	75	90.6 Å²	90.6	39%	0.393	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-39.4	179.7	-68.4	176.9	0	0	0	112.4	L20 Y21 G26 L27 R28	L20-L24 HydrophobicContact CD1-CD1 4.08Å; L20-L24 HydrophobicContact CD1-CG 4.04Å; L20-L24 HydrophobicContact CG-CD1 3.94Å; L20-L24 HydrophobicContact CG-CG 4.3Å; L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 2.98Å; Y21-L24 PolarHBondContact O-N 3.41Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.4Å; L24-R28 WeakPolarHBondContact O-CB 3.44Å; L24-R28 VanDerWaalsContact O-CG 3.31Å; L24-R28 WeakPolarHBondContact O-CG 3.48Å; L24-R28 PolarHBondContact O-N 3.08Å
25	S	89.3	Confident	91.8	Very high	44 Å²	44	93.2 Å²	93.2	31%	0.308	46%	0.462	S	S	.	.	H	α-helix	trans	-65.8	-38.3	173.9	57.6	0	0	0	0	111.4	Y21 C22 Y23 R28 Q29	Y21-S25 VanDerWaalsContact O-CB 3.26Å; Y21-S25 WeakPolarHBondContact O-CB 3.2Å; Y21-S25 PolarHBondContact O-N 3.49Å; Y21-S25 PolarHBondContact O-OG 3.28Å; C22-S25 WeakPolarHBondContact CA-OG 3.17Å; C22-S25 PolarHBondContact O-OG 3.07Å; Y23-S25 PolarHBondContact O-N 3.25Å; S25-R28 PolarHBondContact O-N 3.06Å; S25-Q29 WeakPolarHBondContact O-CB 3.16Å; S25-Q29 PolarHBondContact O-N 3Å
26	G	89.8	Confident	92	Very high	33 Å²	33	91.3 Å²	91.3	34%	0.34	44%	0.442	S	S	.	.	H	α-helix	trans	-58.7	-48.7	170	0	0	0	0	0	112.7	C22 Y23 L24 R28 Q29 S30	C22-G26 PolarHBondContact O-N 3.18Å; Y23-G26 PolarHBondContact O-N 3.25Å; L24-G26 VanDerWaalsContact C-N 3.34Å; G26-R28 PolarHBondContact O-N 3.17Å; G26-Q29 PolarHBondContact O-N 3.29Å; G26-S30 PolarHBondContact O-N 3.39Å; G26-S30 PolarHBondContact O-OG 2.87Å
27	L	89.1	Confident	92.1	Very high	71 Å²	71	89.7 Å²	89.7	37%	0.372	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.5	-71.5	-178.4	0	0	0	112.6	Y23 L24 Q29 S30 R31	Y23-L27 HydrophobicContact CD1-CD1 4.05Å; Y23-L27 HydrophobicContact CE1-CD1 3.41Å; Y23-L27 VanDerWaalsContact CE1-CD1 3.41Å; Y23-L27 HydrophobicContact CE1-CG 4.12Å; Y23-L27 PolarHBondContact O-N 3.46Å; L24-L27 PolarHBondContact O-N 3.4Å; L27-Q29 VanDerWaalsContact C-N 3.3Å; L27-Q29 PolarHBondContact O-N 2.92Å; L27-S30 PolarHBondContact O-N 2.95Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.47Å
28	R	89.5	Confident	92.3	Very high	169 Å²	169	90.5 Å²	90.5	64%	0.638	42%	0.422	S	S	*	.	H	α-helix	trans	-60	-43.1	175	-75.6	175.8	-179.1	171.8	1	111	L24 S25 G26 R31 K32	L24-R28 WeakPolarHBondContact O-CB 3.44Å; L24-R28 VanDerWaalsContact O-CG 3.31Å; L24-R28 WeakPolarHBondContact O-CG 3.48Å; L24-R28 PolarHBondContact O-N 3.08Å; S25-R28 PolarHBondContact O-N 3.06Å; G26-R28 PolarHBondContact O-N 3.17Å; R28-R31 PolarHBondContact O-N 3.24Å; R28-K32 WeakPolarHBondContact O-CG 3.33Å; R28-K32 PolarHBondContact O-N 3.41Å
29	Q	90.3	Very high	92.6	Very high	46 Å²	46	84.9 Å²	84.9	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-46.2	177.2	-168.1	64.8	43.2	0	0	111.3	S25 G26 L27 R31 K32 Y33 N270	S25-Q29 WeakPolarHBondContact O-CB 3.16Å; S25-Q29 PolarHBondContact O-N 3Å; G26-Q29 PolarHBondContact O-N 3.29Å; L27-Q29 VanDerWaalsContact C-N 3.3Å; L27-Q29 PolarHBondContact O-N 2.92Å; Q29-R31 VanDerWaalsContact C-N 3.3Å; Q29-R31 PolarHBondContact O-N 2.87Å; Q29-K32 WeakPolarHBondContact O-CB 3.25Å; Q29-K32 PolarHBondContact O-N 2.9Å; Q29-K32 VanDerWaalsContact O-N 3.08Å; Q29-Y33 HydrophobicContact CG-CD2 3.95Å; Q29-Y33 HydrophobicContact CG-CE2 3.71Å; Q29-Y33 VanDerWaalsContact NE2-CE2 3.25Å; Q29-Y33 VanDerWaalsContact O-CD2 3.27Å; Q29-Y33 WeakPolarHBondContact O-CD2 3.42Å; Q29-Y33 PolarHBondContact O-N 3.22Å; Q29-N270 PolarHBondContact OE1-OD1 3.31Å
30	S	88.2	Confident	92.8	Very high	78 Å²	78	82.7 Å²	82.7	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-39.6	176.9	-64.7	0	0	0	0	112.4	G26 L27 Y33 Y34	G26-S30 PolarHBondContact O-N 3.39Å; G26-S30 PolarHBondContact O-OG 2.87Å; L27-S30 PolarHBondContact O-N 2.95Å; S30-Y33 PolarHBondContact O-N 3.37Å; S30-Y34 PolarHBondContact O-N 3.34Å
31	R	90.5	Very high	93	Very high	198 Å²	198	78.1 Å²	78.1	75%	0.747	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-40.5	173	-74.8	-179	-176.9	177.7	1.3	112.4	L27 R28 Q29 Y34	L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.47Å; R28-R31 PolarHBondContact O-N 3.24Å; Q29-R31 VanDerWaalsContact C-N 3.3Å; Q29-R31 PolarHBondContact O-N 2.87Å; R31-Y34 VanDerWaalsContact O-CB 3.28Å; R31-Y34 WeakPolarHBondContact O-CB 3.35Å; R31-Y34 PolarHBondContact O-N 3.49Å; R31-Y34 VanDerWaalsContact O-N 3.17Å
32	K	93.2	Very high	93.3	Very high	85 Å²	85	71 Å²	71	37%	0.37	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-41.5	174.5	-72.4	177.5	170.9	-162.6	0	111.8	R28 Q29 Y34 W35 V269 N270	R28-K32 WeakPolarHBondContact O-CG 3.33Å; R28-K32 PolarHBondContact O-N 3.41Å; Q29-K32 WeakPolarHBondContact O-CB 3.25Å; Q29-K32 PolarHBondContact O-N 2.9Å; Q29-K32 VanDerWaalsContact O-N 3.08Å; K32-Y34 VanDerWaalsContact C-N 3.28Å; K32-Y34 PolarHBondContact O-N 3.37Å; K32-W35 WeakPolarHBondContact O-CB 3.39Å; K32-W35 PolarHBondContact O-N 2.84Å; K32-V269 HydrophobicContact CB-CB 4Å; K32-V269 HydrophobicContact CB-CG2 4.04Å; K32-V269 WeakPolarHBondContact CD-O 3.13Å; K32-N270 WeakPolarHBondContact CD-OD1 3.37Å; K32-N270 PolarHBondContact NZ-OD1 2.89Å
33	Y	93.6	Very high	93.6	Very high	33 Å²	33	68.5 Å²	68.5	13%	0.129	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-28.6	173.9	-81.3	-81.1	0	0	0	113.2	Q29 S30 W35 L36 Q61 V265 R266 V269	Q29-Y33 HydrophobicContact CG-CD2 3.95Å; Q29-Y33 HydrophobicContact CG-CE2 3.71Å; Q29-Y33 VanDerWaalsContact NE2-CE2 3.25Å; Q29-Y33 VanDerWaalsContact O-CD2 3.27Å; Q29-Y33 WeakPolarHBondContact O-CD2 3.42Å; Q29-Y33 PolarHBondContact O-N 3.22Å; S30-Y33 PolarHBondContact O-N 3.37Å; Y33-W35 PolarHBondContact O-N 2.96Å; Y33-L36 HydrophobicContact CD1-CD1 4.2Å; Y33-L36 WeakPolarHBondContact O-CB 3.45Å; Y33-L36 PolarHBondContact O-N 3.43Å; Y33-L36 VanDerWaalsContact O-N 3.07Å; Y33-Q61 HydrophobicContact CD1-CG 4.04Å; Y33-Q61 HydrophobicContact CE1-CG 4.43Å; Y33-V265 HydrophobicContact CD1-CG1 4.33Å; Y33-V265 HydrophobicContact CE1-CG1 3.71Å; Y33-R266 WeakPolarHBondContact OH-CA 3.37Å; Y33-R266 WeakPolarHBondContact OH-CB 3.48Å; Y33-V269 HydrophobicContact CD1-CG1 4.45Å; Y33-V269 HydrophobicContact CD2-CG2 4.36Å; Y33-V269 HydrophobicContact CE1-CG2 4.45Å; Y33-V269 HydrophobicContact CE2-CG2 4.22Å
34	Y	92.9	Very high	93.9	Very high	170 Å²	170	61.4 Å²	61.4	67%	0.667	29%	0.285	S	S	*	.	H	α-helix	trans	-60.6	-28.6	175.8	-169	-96.2	0	0	0	112.8	S30 R31 K32 L36 R37	S30-Y34 PolarHBondContact O-N 3.34Å; R31-Y34 VanDerWaalsContact O-CB 3.28Å; R31-Y34 WeakPolarHBondContact O-CB 3.35Å; R31-Y34 PolarHBondContact O-N 3.49Å; R31-Y34 VanDerWaalsContact O-N 3.17Å; K32-Y34 VanDerWaalsContact C-N 3.28Å; K32-Y34 PolarHBondContact O-N 3.37Å; Y34-L36 PolarHBondContact O-N 2.93Å; Y34-R37 HydrophobicContact CD2-CG 3.96Å; Y34-R37 HydrophobicContact CE2-CG 4.24Å; Y34-R37 HydrophobicContact CG-CG 4.34Å; Y34-R37 WeakPolarHBondContact O-CB 3.37Å; Y34-R37 VanDerWaalsContact O-CG 3.25Å; Y34-R37 WeakPolarHBondContact O-CG 3.28Å; Y34-R37 PolarHBondContact O-N 3.5Å
35	W	93.9	Very high	94.1	Very high	95 Å²	95	58.7 Å²	58.7	36%	0.36	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.8	174.4	172.7	85.3	0	0	0	113.4	K32 Y33 R37 K39 V128 K175 S176 L268 V269	K32-W35 WeakPolarHBondContact O-CB 3.39Å; K32-W35 PolarHBondContact O-N 2.84Å; Y33-W35 PolarHBondContact O-N 2.96Å; W35-R37 VanDerWaalsContact C-N 3.32Å; W35-R37 PolarHBondContact O-N 2.77Å; W35-K39 WeakPolarHBondContact O-CE 3.35Å; W35-K39 WeakPolarHBondContact O-CG 3.3Å; W35-V128 HydrophobicContact CH2-CG2 3.95Å; W35-V128 HydrophobicContact CZ3-CG2 4.41Å; W35-K175 HydrophobicContact CZ2-CB 3.86Å; W35-S176 WeakPolarHBondContact CH2-OG 3.38Å; W35-L268 HydrophobicContact CZ3-CD2 4.36Å; W35-L268 HydrophobicContact CZ3-CG 4.47Å; W35-V269 HydrophobicContact CE3-CG1 4.45Å
36	L	96.5	Very high	94.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.7	178.5	-71.2	172.6	0	0	0	113.9	Y33 Y34 N38 K39 F58 Q61 C63 V265 L268 V269	Y33-L36 HydrophobicContact CD1-CD1 4.2Å; Y33-L36 WeakPolarHBondContact O-CB 3.45Å; Y33-L36 PolarHBondContact O-N 3.43Å; Y33-L36 VanDerWaalsContact O-N 3.07Å; Y34-L36 PolarHBondContact O-N 2.93Å; L36-N38 PolarHBondContact O-N 2.85Å; L36-K39 WeakPolarHBondContact O-CB 3.35Å; L36-K39 WeakPolarHBondContact O-CG 3.37Å; L36-K39 PolarHBondContact O-N 3.34Å; L36-F58 HydrophobicContact CD2-CD1 4.16Å; L36-F58 HydrophobicContact CD2-CE1 3.95Å; L36-Q61 HydrophobicContact CB-CB 4.04Å; L36-Q61 HydrophobicContact CD1-CB 4.04Å; L36-Q61 HydrophobicContact CD1-CG 3.96Å; L36-C63 PolarHBondContact O-SG 3.46Å; L36-V265 HydrophobicContact CD1-CG1 3.47Å; L36-V265 VanDerWaalsContact CD1-CG1 3.47Å; L36-L268 HydrophobicContact CD2-CD2 4.33Å; L36-V269 HydrophobicContact CD1-CG1 3.55Å; L36-V269 HydrophobicContact CG-CG1 3.86Å
37	R	94.8	Very high	94.8	Very high	61 Å²	61	56 Å²	56	23%	0.23	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	131	-177.7	-65.2	-74.3	-177.7	-137.7	-2.1	110.1	Y34 W35 K39 Q61 V94	Y34-R37 HydrophobicContact CD2-CG 3.96Å; Y34-R37 HydrophobicContact CE2-CG 4.24Å; Y34-R37 HydrophobicContact CG-CG 4.34Å; Y34-R37 WeakPolarHBondContact O-CB 3.37Å; Y34-R37 VanDerWaalsContact O-CG 3.25Å; Y34-R37 WeakPolarHBondContact O-CG 3.28Å; Y34-R37 PolarHBondContact O-N 3.5Å; W35-R37 VanDerWaalsContact C-N 3.32Å; W35-R37 PolarHBondContact O-N 2.77Å; R37-K39 PolarHBondContact O-N 2.88Å; R37-K39 VanDerWaalsContact O-N 3.08Å; R37-Q61 WeakPolarHBondContact CD-O 3.26Å; R37-Q61 PolarHBondContact NH1-O 3.08Å; R37-V94 VanDerWaalsContact NH1-CG2 3.29Å
38	N	96.3	Very high	95.1	Very high	76 Å²	76	54.4 Å²	54.4	41%	0.406	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	7.4	178	-50.7	-39.6	0	0	0	115.2	L36 G62 H97	L36-N38 PolarHBondContact O-N 2.85Å; N38-G62 WeakPolarHBondContact CA-O 3.34Å; N38-G62 PolarHBondContact N-O 3.28Å; N38-H97 PolarHBondContact OD1-CE1 3.04Å; N38-H97 VanDerWaalsContact OD1-CE1 3.32Å; N38-H97 PolarHBondContact OD1-NE2 2.9Å
39	K	97.7	Very high	95.4	Very high	44 Å²	44	47.2 Å²	47.2	19%	0.191	22%	0.224	C	C	.	.			trans	-70	140.5	177.3	-64.5	-65	179.8	-173.9	0	111.3	W35 L36 R37 C63 K64 D127	W35-K39 WeakPolarHBondContact O-CE 3.35Å; W35-K39 WeakPolarHBondContact O-CG 3.3Å; L36-K39 WeakPolarHBondContact O-CB 3.35Å; L36-K39 WeakPolarHBondContact O-CG 3.37Å; L36-K39 PolarHBondContact O-N 3.34Å; R37-K39 PolarHBondContact O-N 2.88Å; R37-K39 VanDerWaalsContact O-N 3.08Å; K39-C63 CarbonylContact O-C 3.56Å; K39-C63 WeakPolarHBondContact O-CA 3.43Å; K39-C63 WeakPolarHBondContact O-CB 3.4Å; K39-K64 PolarHBondContact O-N 3.3Å; K39-D127 WeakPolarHBondContact CA-OD2 3.17Å; K39-D127 HydrophobicContact CB-CB 4.04Å; K39-D127 HydrophobicContact CD-CB 3.7Å; K39-D127 WeakPolarHBondContact CD-OD1 3.44Å; K39-D127 WeakPolarHBondContact CD-OD2 3.41Å; K39-D127 HydrophobicContact CG-CB 4.4Å; K39-D127 IonicContact NZ-OD1 3.51Å; K39-D127 PolarHBondContact NZ-OD1 3.43Å
40	V	98.5	Very high	95.7	Very high	12 Å²	12	45.8 Å²	45.8	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.6	174.4	-178.6	0	0	0	0	108.6	K64 I66 Y123 K125 I126 D127 V128	V40-K64 WeakPolarHBondContact CA-O 3.31Å; V40-K64 HydrophobicContact CG2-CB 4.28Å; V40-K64 HydrophobicContact CG2-CD 4.18Å; V40-I66 HydrophobicContact CG1-CD1 3.55Å; V40-I66 HydrophobicContact CG1-CG1 4.25Å; V40-Y123 HydrophobicContact CG1-CD1 3.82Å; V40-Y123 HydrophobicContact CG1-CE1 4.49Å; V40-Y123 HydrophobicContact CG1-CG 4.18Å; V40-Y123 HydrophobicContact CG2-CD1 3.99Å; V40-K125 WeakPolarHBondContact CB-O 3.32Å; V40-K125 WeakPolarHBondContact CG1-O 3.41Å; V40-I126 HydrophobicContact CG1-CG1 4.3Å; V40-D127 PolarHBondContact N-OD2 2.87Å; V40-D127 PolarHBondContact O-N 3.3Å; V40-V128 PolarHBondContact O-N 3.29Å
41	V	98.8	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.3	-175.9	-176.5	0	0	0	0	109.8	V43 F58 C63 K64 V65 I66 V128 V130	V41-V43 HydrophobicContact CG1-CG2 3.98Å; V41-F58 HydrophobicContact CB-CG 4.39Å; V41-F58 HydrophobicContact CG1-CB 4.32Å; V41-F58 HydrophobicContact CG1-CD1 4.07Å; V41-F58 HydrophobicContact CG1-CD2 3.78Å; V41-F58 HydrophobicContact CG1-CE1 4.29Å; V41-F58 HydrophobicContact CG1-CE2 4.05Å; V41-F58 HydrophobicContact CG1-CG 3.8Å; V41-F58 HydrophobicContact CG1-CZ 4.29Å; V41-F58 HydrophobicContact CG2-CB 4.42Å; V41-F58 HydrophobicContact CG2-CD1 3.9Å; V41-F58 HydrophobicContact CG2-CE1 4.39Å; V41-F58 HydrophobicContact CG2-CG 4.22Å; V41-C63 HydrophobicContact CB-CB 4.46Å; V41-C63 HydrophobicContact CG2-CB 3.71Å; V41-K64 PolarHBondContact N-O 2.71Å; V41-V65 WeakPolarHBondContact O-CA 3.19Å; V41-I66 PolarHBondContact O-N 2.86Å; V41-V128 CarbonylContact C-O 3.42Å; V41-V128 WeakPolarHBondContact CA-O 3.45Å; V41-V128 HydrophobicContact CB-CB 4.42Å; V41-V128 HydrophobicContact CG1-CB 4.09Å; V41-V128 HydrophobicContact CG1-CG1 4.24Å; V41-V128 HydrophobicContact CG2-CB 4.05Å; V41-V128 HydrophobicContact CG2-CG2 4.33Å; V41-V130 HydrophobicContact CG1-CG2 3.93Å
42	L	98.8	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.4	175.7	170.9	56.3	0	0	0	110.8	I66 A68 F115 I126 V128 L129 V130 L167	L42-I66 HydrophobicContact CB-CB 4.46Å; L42-I66 HydrophobicContact CD1-CB 3.92Å; L42-I66 HydrophobicContact CD1-CG2 3.68Å; L42-A68 HydrophobicContact CD1-CB 3.79Å; L42-F115 HydrophobicContact CD1-CE2 4.4Å; L42-F115 HydrophobicContact CD1-CZ 3.61Å; L42-F115 HydrophobicContact CD2-CE1 3.91Å; L42-F115 HydrophobicContact CD2-CZ 3.75Å; L42-F115 HydrophobicContact CG-CZ 4.33Å; L42-I126 HydrophobicContact CB-CG2 3.95Å; L42-I126 HydrophobicContact CD2-CD1 4.1Å; L42-V128 PolarHBondContact N-O 2.99Å; L42-L129 HydrophobicContact CB-CD1 4.34Å; L42-L129 HydrophobicContact CD2-CD1 3.81Å; L42-L129 HydrophobicContact CG-CD1 3.98Å; L42-V130 PolarHBondContact O-N 2.9Å; L42-L167 HydrophobicContact CD2-CD1 4.25Å
43	V	98.8	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.9	179.5	-171.7	0	0	0	0	111.4	V41 A46 L54 A55 V65 I66 A68 V130	V41-V43 HydrophobicContact CG1-CG2 3.98Å; V43-A46 HydrophobicContact CB-CB 4.3Å; V43-A46 HydrophobicContact CG1-CB 4.19Å; V43-A46 WeakPolarHBondContact O-CB 3.16Å; V43-L54 HydrophobicContact CG1-CB 4.43Å; V43-A55 HydrophobicContact CG2-CB 4.34Å; V43-V65 HydrophobicContact CG2-CG1 4.28Å; V43-I66 PolarHBondContact N-O 3.29Å; V43-A68 PolarHBondContact O-N 3.15Å; V43-V130 HydrophobicContact CB-CB 4.39Å; V43-V130 HydrophobicContact CG1-CB 4.28Å; V43-V130 HydrophobicContact CG1-CG1 4.26Å; V43-V130 HydrophobicContact CG2-CB 4.14Å; V43-V130 HydrophobicContact CG2-CG2 4.09Å
44	T	98.7	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	144.6	173.8	60.5	0	0	0	0	111.6	A46 A68 V130 N132 A133 L163	T44-A46 VanDerWaalsContact C-N 3.27Å; T44-A46 PolarHBondContact O-N 3.07Å; T44-A68 CarbonylContact C-O 3.6Å; T44-V130 PolarHBondContact N-O 3.43Å; T44-V130 PolarHBondContact OG1-O 2.89Å; T44-N132 VanDerWaalsContact O-CB 3.3Å; T44-N132 WeakPolarHBondContact O-CB 3.21Å; T44-N132 PolarHBondContact O-ND2 2.83Å; T44-N132 PolarHBondContact OG1-N 2.92Å; T44-A133 PolarHBondContact O-N 2.97Å; T44-A133 PolarHBondContact OG1-N 2.94Å; T44-L163 HydrophobicContact CG2-CD2 3.54Å
45	G	97.7	Very high	97.3	Very high	18 Å²	18	21.1 Å²	21.1	19%	0.186	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	28.7	-175.8	0	0	0	0	0	112.8	S47 A68 N132	G45-S47 PolarHBondContact O-N 2.97Å; G45-A68 PolarHBondContact N-O 3.2Å; G45-N132 PolarHBondContact O-ND2 3.27Å
46	A	97.8	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.4	-176.7	0	0	0	0	0	114	V43 T44 S48 E52 L67 A68 L75	V43-A46 HydrophobicContact CB-CB 4.3Å; V43-A46 HydrophobicContact CG1-CB 4.19Å; V43-A46 WeakPolarHBondContact O-CB 3.16Å; T44-A46 VanDerWaalsContact C-N 3.27Å; T44-A46 PolarHBondContact O-N 3.07Å; A46-S48 PolarHBondContact O-N 3.04Å; A46-S48 VanDerWaalsContact O-N 3.1Å; A46-E52 WeakPolarHBondContact O-CA 3.46Å; A46-E52 PolarHBondContact O-N 2.83Å; A46-L67 HydrophobicContact CB-CB 3.95Å; A46-L67 HydrophobicContact CB-CD2 3.87Å; A46-A68 PolarHBondContact N-O 3.32Å; A46-L75 HydrophobicContact CB-CD2 4.11Å
47	S	96	Very high	97.5	Very high	20 Å²	20	18.4 Å²	18.4	14%	0.14	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	7.8	-173.9	66.6	0	0	0	0	115.4	G45 A69 K74 I78	G45-S47 PolarHBondContact O-N 2.97Å; S47-A69 WeakPolarHBondContact OG-CB 3.49Å; S47-K74 VanDerWaalsContact O-CD 3.29Å; S47-K74 WeakPolarHBondContact O-CD 3.38Å; S47-K74 WeakPolarHBondContact O-CE 3.37Å; S47-K74 PolarHBondContact O-NZ 3.08Å; S47-I78 VanDerWaalsContact CA-CD1 3.45Å; S47-I78 WeakPolarHBondContact O-CD1 3.41Å
48	S	94.5	Very high	97.7	Very high	37 Å²	37	15.5 Å²	15.5	26%	0.259	9%	0.091	S	C	.	.	S	Bend	trans	-179.1	164.3	171	46.5	0	0	0	0	113.1	A46 L50 G51	A46-S48 PolarHBondContact O-N 3.04Å; A46-S48 VanDerWaalsContact O-N 3.1Å; S48-L50 PolarHBondContact O-N 3.09Å; S48-G51 PolarHBondContact O-N 2.94Å
49	G	95.4	Very high	97.7	Very high	18 Å²	18	12.4 Å²	12.4	19%	0.186	7%	0.074	C	C	.	.	H	α-helix	trans	65.7	-128.9	159.8	0	0	0	0	0	111.7	S53	G49-S53 PolarHBondContact O-N 3.32Å
50	L	97.6	Very high	97.6	Very high	17 Å²	17	11.5 Å²	11.5	9%	0.089	7%	0.071	C	C	.	.	H	α-helix	trans	-67.8	-36.9	-177.4	-178.8	58.4	0	0	0	112.5	S48 E52 S53 L54 I180 V260 A261	S48-L50 PolarHBondContact O-N 3.09Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-E52 PolarHBondContact O-N 3.46Å; L50-S53 PolarHBondContact O-N 3.06Å; L50-L54 HydrophobicContact CD1-CD1 4.26Å; L50-L54 HydrophobicContact CD1-CG 4.1Å; L50-L54 HydrophobicContact CD2-CD1 4.44Å; L50-L54 HydrophobicContact CG-CD1 3.82Å; L50-L54 HydrophobicContact CG-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CB 3.46Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.43Å; L50-L54 PolarHBondContact O-N 3.49Å; L50-I180 HydrophobicContact CD2-CG2 3.78Å; L50-V260 HydrophobicContact CD1-CB 3.81Å; L50-V260 HydrophobicContact CD1-CG1 3.47Å; L50-V260 VanDerWaalsContact CD1-CG1 3.47Å; L50-V260 HydrophobicContact CD2-CG1 3.99Å; L50-V260 HydrophobicContact CG-CG1 4.41Å; L50-A261 HydrophobicContact CD1-CB 4.38Å
51	G	98	Very high	97.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-63.4	-41.1	179.3	0	0	0	0	0	112.6	S48 L54 A55 N132	S48-G51 PolarHBondContact O-N 2.94Å; G51-L54 PolarHBondContact O-N 3.28Å; G51-A55 WeakPolarHBondContact O-CB 3.45Å; G51-A55 PolarHBondContact O-N 2.7Å; G51-N132 WeakPolarHBondContact CA-ND2 3.14Å
52	E	97.8	Very high	97.4	Very high	42 Å²	42	12.5 Å²	12.5	20%	0.196	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-48.4	172.9	177.4	-171	149	0	0	111.3	A46 L50 L54 A55 R56 I78	A46-E52 WeakPolarHBondContact O-CA 3.46Å; A46-E52 PolarHBondContact O-N 2.83Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-E52 PolarHBondContact O-N 3.46Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.04Å; E52-A55 PolarHBondContact O-N 2.95Å; E52-R56 WeakPolarHBondContact O-CB 3.17Å; E52-R56 PolarHBondContact O-N 3.44Å; E52-R56 IonicContact OE1-CZ 3.43Å; E52-R56 IonicContact OE1-NH1 3.37Å; E52-R56 IonicContact OE1-NH2 3.13Å; E52-R56 PolarHBondContact OE1-NH2 2.94Å; E52-I78 HydrophobicContact CB-CG2 4.45Å; E52-I78 HydrophobicContact CG-CG2 3.8Å
53	S	98.2	Very high	97.3	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-39.3	176.8	-73.1	0	0	0	0	112.3	G49 L50 R56 Q57 P257 D258 A261	G49-S53 PolarHBondContact O-N 3.32Å; L50-S53 PolarHBondContact O-N 3.06Å; S53-R56 PolarHBondContact O-N 2.7Å; S53-Q57 WeakPolarHBondContact O-CB 3.43Å; S53-Q57 VanDerWaalsContact O-CG 3.25Å; S53-Q57 WeakPolarHBondContact O-CG 3.46Å; S53-Q57 PolarHBondContact O-N 3.04Å; S53-P257 WeakPolarHBondContact CB-O 3.49Å; S53-P257 WeakPolarHBondContact OG-CB 3.32Å; S53-D258 WeakPolarHBondContact CB-OD1 3.43Å; S53-D258 PolarHBondContact OG-N 3.35Å; S53-D258 PolarHBondContact OG-OD1 3.48Å; S53-A261 VanDerWaalsContact C-CB 3.45Å; S53-A261 WeakPolarHBondContact O-CB 3.43Å
54	L	98.6	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-50.5	175.1	-75.3	165.3	0	0	0	110.8	V43 L50 G51 E52 R56 Q57 F58 V130 N132 I180 A261 V264	V43-L54 HydrophobicContact CG1-CB 4.43Å; L50-L54 HydrophobicContact CD1-CD1 4.26Å; L50-L54 HydrophobicContact CD1-CG 4.1Å; L50-L54 HydrophobicContact CD2-CD1 4.44Å; L50-L54 HydrophobicContact CG-CD1 3.82Å; L50-L54 HydrophobicContact CG-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CB 3.46Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.43Å; L50-L54 PolarHBondContact O-N 3.49Å; G51-L54 PolarHBondContact O-N 3.28Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.04Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.08Å; L54-Q57 PolarHBondContact O-N 2.87Å; L54-Q57 VanDerWaalsContact O-N 3.12Å; L54-F58 WeakPolarHBondContact O-CD2 3.37Å; L54-F58 PolarHBondContact O-N 3.11Å; L54-V130 HydrophobicContact CD1-CG1 3.97Å; L54-N132 HydrophobicContact CD1-CB 4.22Å; L54-I180 HydrophobicContact CD1-CD1 4Å; L54-I180 HydrophobicContact CD1-CG1 4.02Å; L54-A261 HydrophobicContact CD2-CB 3.88Å; L54-A261 HydrophobicContact CG-CB 4.06Å; L54-V264 HydrophobicContact CD2-CB 3.83Å; L54-V264 HydrophobicContact CD2-CG1 3.7Å; L54-V264 HydrophobicContact CD2-CG2 4.3Å
55	A	98.6	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.7	-46.5	176.6	0	0	0	0	0	112.1	V43 G51 E52 Q57 F58 Y59 V65 L67 I82	V43-A55 HydrophobicContact CG2-CB 4.34Å; G51-A55 WeakPolarHBondContact O-CB 3.45Å; G51-A55 PolarHBondContact O-N 2.7Å; E52-A55 PolarHBondContact O-N 2.95Å; A55-Q57 PolarHBondContact O-N 2.9Å; A55-F58 PolarHBondContact O-N 2.91Å; A55-Y59 VanDerWaalsContact O-CB 3.3Å; A55-Y59 WeakPolarHBondContact O-CB 3.34Å; A55-Y59 PolarHBondContact O-N 3.49Å; A55-V65 HydrophobicContact CB-CG1 3.93Å; A55-L67 HydrophobicContact CB-CD2 3.34Å; A55-I82 HydrophobicContact CB-CD1 3.81Å
56	R	97.7	Very high	97.3	Very high	20 Å²	20	15.1 Å²	15.1	8%	0.075	8%	0.081	C	C	.	.	H	α-helix	trans	-57.9	-45.5	174.2	-175.8	-174.8	-69.1	136.7	4.8	111.9	E52 S53 L54 Y59 I60 I82 Y85 D258	E52-R56 WeakPolarHBondContact O-CB 3.17Å; E52-R56 PolarHBondContact O-N 3.44Å; E52-R56 IonicContact OE1-CZ 3.43Å; E52-R56 IonicContact OE1-NH1 3.37Å; E52-R56 IonicContact OE1-NH2 3.13Å; E52-R56 PolarHBondContact OE1-NH2 2.94Å; S53-R56 PolarHBondContact O-N 2.7Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.08Å; R56-Y59 PolarHBondContact O-N 2.76Å; R56-I60 PolarHBondContact O-N 3.22Å; R56-I60 VanDerWaalsContact O-N 3.09Å; R56-I82 HydrophobicContact CB-CG1 4.17Å; R56-Y85 VanDerWaalsContact CD-CD1 3.45Å; R56-Y85 HydrophobicContact CG-CD1 3.42Å; R56-Y85 VanDerWaalsContact CG-CD1 3.42Å; R56-Y85 HydrophobicContact CG-CE1 3.72Å; R56-Y85 HydrophobicContact CG-CG 3.94Å; R56-D258 IonicContact NH1-OD1 3.87Å; R56-D258 PolarHBondContact NH1-OD1 3.02Å; R56-D258 IonicContact NH1-OD2 3.2Å
57	Q	97.5	Very high	97.4	Very high	18 Å²	18	15.1 Å²	15.1	8%	0.084	8%	0.081	C	C	.	.	H	α-helix	trans	-65.3	-41.7	179.8	-72.6	-60.3	-50.5	0	0	112.1	S53 L54 A55 I60 Q61 A261 V265	S53-Q57 WeakPolarHBondContact O-CB 3.43Å; S53-Q57 VanDerWaalsContact O-CG 3.25Å; S53-Q57 WeakPolarHBondContact O-CG 3.46Å; S53-Q57 PolarHBondContact O-N 3.04Å; L54-Q57 PolarHBondContact O-N 2.87Å; L54-Q57 VanDerWaalsContact O-N 3.12Å; A55-Q57 PolarHBondContact O-N 2.9Å; Q57-I60 WeakPolarHBondContact O-CG1 3.39Å; Q57-Q61 WeakPolarHBondContact O-CG 3.46Å; Q57-Q61 PolarHBondContact O-N 3.01Å; Q57-A261 HydrophobicContact CB-CB 4.18Å; Q57-A261 HydrophobicContact CG-CB 3.52Å; Q57-V265 HydrophobicContact CB-CG2 3.93Å
58	F	98.1	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-40.4	173.4	-77.3	-70.5	0	0	0	112.3	L36 V41 L54 A55 I60 Q61 C63 V65 V128 V130 V265 L268	L36-F58 HydrophobicContact CD2-CD1 4.16Å; L36-F58 HydrophobicContact CD2-CE1 3.95Å; V41-F58 HydrophobicContact CB-CG 4.39Å; V41-F58 HydrophobicContact CG1-CB 4.32Å; V41-F58 HydrophobicContact CG1-CD1 4.07Å; V41-F58 HydrophobicContact CG1-CD2 3.78Å; V41-F58 HydrophobicContact CG1-CE1 4.29Å; V41-F58 HydrophobicContact CG1-CE2 4.05Å; V41-F58 HydrophobicContact CG1-CG 3.8Å; V41-F58 HydrophobicContact CG1-CZ 4.29Å; V41-F58 HydrophobicContact CG2-CB 4.42Å; V41-F58 HydrophobicContact CG2-CD1 3.9Å; V41-F58 HydrophobicContact CG2-CE1 4.39Å; V41-F58 HydrophobicContact CG2-CG 4.22Å; L54-F58 WeakPolarHBondContact O-CD2 3.37Å; L54-F58 PolarHBondContact O-N 3.11Å; A55-F58 PolarHBondContact O-N 2.91Å; F58-I60 PolarHBondContact O-N 3.06Å; F58-Q61 WeakPolarHBondContact O-CA 3.29Å; F58-Q61 WeakPolarHBondContact O-CB 3.46Å; F58-Q61 PolarHBondContact O-N 3.11Å; F58-C63 HydrophobicContact CB-CB 4.14Å; F58-C63 VanDerWaalsContact O-CB 3.3Å; F58-C63 WeakPolarHBondContact O-CB 3.48Å; F58-C63 PolarHBondContact O-N 2.87Å; F58-C63 PolarHBondContact O-SG 3.32Å; F58-V65 HydrophobicContact CB-CG2 3.96Å; F58-V128 HydrophobicContact CZ-CG1 4.34Å; F58-V130 HydrophobicContact CE2-CG2 3.73Å; F58-V130 HydrophobicContact CZ-CG2 4.17Å; F58-V265 HydrophobicContact CD1-CG2 4.31Å; F58-V265 HydrophobicContact CD2-CG2 4.33Å; F58-V265 HydrophobicContact CE1-CG1 4.47Å; F58-V265 HydrophobicContact CE1-CG2 4.08Å; F58-V265 HydrophobicContact CE2-CG2 4.07Å; F58-V265 HydrophobicContact CG-CG2 4.44Å; F58-V265 HydrophobicContact CZ-CG2 3.95Å; F58-L268 HydrophobicContact CE1-CD2 3.64Å; F58-L268 HydrophobicContact CZ-CD2 3.71Å
59	Y	97.7	Very high	97.7	Very high	10 Å²	10	12.8 Å²	12.8	4%	0.039	7%	0.065	C	C	.	.	H	α-helix	trans	-58	-47.8	178.8	179	-107.1	0	0	0	112.1	A55 R56 Q61 G62 I82 L96 H97 P99	A55-Y59 VanDerWaalsContact O-CB 3.3Å; A55-Y59 WeakPolarHBondContact O-CB 3.34Å; A55-Y59 PolarHBondContact O-N 3.49Å; R56-Y59 PolarHBondContact O-N 2.76Å; Y59-Q61 PolarHBondContact O-N 3.18Å; Y59-Q61 VanDerWaalsContact O-N 3.17Å; Y59-G62 WeakPolarHBondContact O-CA 3.49Å; Y59-G62 PolarHBondContact O-N 3.2Å; Y59-I82 HydrophobicContact CD1-CG2 3.44Å; Y59-I82 VanDerWaalsContact CD1-CG2 3.44Å; Y59-I82 WeakPolarHBondContact CD1-O 3.33Å; Y59-I82 HydrophobicContact CD2-CG2 4.07Å; Y59-I82 HydrophobicContact CE1-CG2 4.07Å; Y59-I82 VanDerWaalsContact CE1-O 3.25Å; Y59-I82 WeakPolarHBondContact CE1-O 3.49Å; Y59-I82 HydrophobicContact CG-CG2 3.43Å; Y59-I82 VanDerWaalsContact CG-CG2 3.43Å; Y59-L96 HydrophobicContact CD1-CD2 4.42Å; Y59-L96 HydrophobicContact CE1-CD1 4.02Å; Y59-L96 HydrophobicContact CE1-CD2 4.16Å; Y59-L96 HydrophobicContact CE2-CB 4.35Å; Y59-L96 VanDerWaalsContact O-CD2 3.28Å; Y59-L96 WeakPolarHBondContact O-CD2 3.12Å; Y59-H97 VanDerWaalsContact CE2-O 3.23Å; Y59-H97 WeakPolarHBondContact CE2-O 3.45Å; Y59-P99 HydrophobicContact CD2-CG 3.91Å; Y59-P99 HydrophobicContact CE2-CG 3.79Å
60	I	96	Very high	97.7	Very high	26 Å²	26	19 Å²	19	13%	0.133	8%	0.083	C	C	.	.	H	α-helix	trans	-67.9	-15.1	178	66.4	169.4	0	0	0	113.6	R56 Q57 F58 Y85 V90	R56-I60 PolarHBondContact O-N 3.22Å; R56-I60 VanDerWaalsContact O-N 3.09Å; Q57-I60 WeakPolarHBondContact O-CG1 3.39Å; F58-I60 PolarHBondContact O-N 3.06Å; I60-Y85 HydrophobicContact CG2-CD1 3.88Å; I60-Y85 HydrophobicContact CG2-CE1 3.95Å; I60-V90 HydrophobicContact CB-CG2 3.66Å; I60-V90 HydrophobicContact CG2-CG2 3.81Å
61	Q	95.5	Very high	97.7	Very high	32 Å²	32	22.1 Å²	22.1	15%	0.15	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.9	168.4	-55.8	-49.2	-40.7	0	0	112.9	Y33 L36 R37 Q57 F58 Y59 V265	Y33-Q61 HydrophobicContact CD1-CG 4.04Å; Y33-Q61 HydrophobicContact CE1-CG 4.43Å; L36-Q61 HydrophobicContact CB-CB 4.04Å; L36-Q61 HydrophobicContact CD1-CB 4.04Å; L36-Q61 HydrophobicContact CD1-CG 3.96Å; R37-Q61 WeakPolarHBondContact CD-O 3.26Å; R37-Q61 PolarHBondContact NH1-O 3.08Å; Q57-Q61 WeakPolarHBondContact O-CG 3.46Å; Q57-Q61 PolarHBondContact O-N 3.01Å; F58-Q61 WeakPolarHBondContact O-CA 3.29Å; F58-Q61 WeakPolarHBondContact O-CB 3.46Å; F58-Q61 PolarHBondContact O-N 3.11Å; Y59-Q61 PolarHBondContact O-N 3.18Å; Y59-Q61 VanDerWaalsContact O-N 3.17Å; Q61-V265 HydrophobicContact CG-CG1 4.38Å
62	G	96	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	24.9	178.2	0	0	0	0	0	113.4	N38 Y59 Q95 H97	N38-G62 WeakPolarHBondContact CA-O 3.34Å; N38-G62 PolarHBondContact N-O 3.28Å; Y59-G62 WeakPolarHBondContact O-CA 3.49Å; Y59-G62 PolarHBondContact O-N 3.2Å; G62-Q95 VanDerWaalsContact CA-O 3.31Å; G62-Q95 WeakPolarHBondContact CA-O 3.41Å; G62-H97 PolarHBondContact O-CD2 3.3Å; G62-H97 VanDerWaalsContact O-CD2 3.3Å
63	C	97.8	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.			trans	-76.6	153.4	173.2	-59.4	0	0	0	0	111.2	L36 K39 V41 F58 V65	L36-C63 PolarHBondContact O-SG 3.46Å; K39-C63 CarbonylContact O-C 3.56Å; K39-C63 WeakPolarHBondContact O-CA 3.43Å; K39-C63 WeakPolarHBondContact O-CB 3.4Å; V41-C63 HydrophobicContact CB-CB 4.46Å; V41-C63 HydrophobicContact CG2-CB 3.71Å; F58-C63 HydrophobicContact CB-CB 4.14Å; F58-C63 VanDerWaalsContact O-CB 3.3Å; F58-C63 WeakPolarHBondContact O-CB 3.48Å; F58-C63 PolarHBondContact O-N 2.87Å; F58-C63 PolarHBondContact O-SG 3.32Å; C63-V65 HydrophobicContact CB-CG2 3.98Å; C63-V65 PolarHBondContact O-N 2.62Å
64	K	97.9	Very high	97.5	Very high	74 Å²	74	30.7 Å²	30.7	32%	0.322	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	96.9	164	-62.9	175.2	-177	-179.2	0	108	K39 V40 V41 H97 Y123	K39-K64 PolarHBondContact O-N 3.3Å; V40-K64 WeakPolarHBondContact CA-O 3.31Å; V40-K64 HydrophobicContact CG2-CB 4.28Å; V40-K64 HydrophobicContact CG2-CD 4.18Å; V41-K64 PolarHBondContact N-O 2.71Å; K64-H97 HydrophobicContact CB-CB 4.44Å; K64-H97 HydrophobicContact CG-CB 3.73Å; K64-Y123 HydrophobicContact CB-CE1 4.46Å
65	V	98.5	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	-171.9	-175.8	0	0	0	0	111.2	V41 V43 A55 F58 C63 L67 P99 S100	V41-V65 WeakPolarHBondContact O-CA 3.19Å; V43-V65 HydrophobicContact CG2-CG1 4.28Å; A55-V65 HydrophobicContact CB-CG1 3.93Å; F58-V65 HydrophobicContact CB-CG2 3.96Å; C63-V65 HydrophobicContact CB-CG2 3.98Å; C63-V65 PolarHBondContact O-N 2.62Å; V65-L67 HydrophobicContact CG1-CD2 3.69Å; V65-L67 HydrophobicContact CG1-CG 4.42Å; V65-P99 VanDerWaalsContact O-CA 3.3Å; V65-P99 WeakPolarHBondContact O-CA 3.3Å; V65-S100 PolarHBondContact O-N 2.83Å
66	I	98.7	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.7	171.7	-53.5	167.9	0	0	0	107.6	V40 V41 L42 V43 Y102 V119 Y123	V40-I66 HydrophobicContact CG1-CD1 3.55Å; V40-I66 HydrophobicContact CG1-CG1 4.25Å; V41-I66 PolarHBondContact O-N 2.86Å; L42-I66 HydrophobicContact CB-CB 4.46Å; L42-I66 HydrophobicContact CD1-CB 3.92Å; L42-I66 HydrophobicContact CD1-CG2 3.68Å; V43-I66 PolarHBondContact N-O 3.29Å; I66-Y102 HydrophobicContact CG2-CD2 3.56Å; I66-Y102 HydrophobicContact CG2-CE2 3.98Å; I66-V119 HydrophobicContact CD1-CG1 3.88Å; I66-V119 HydrophobicContact CG2-CG2 4.33Å; I66-Y123 HydrophobicContact CD1-CD1 4.29Å; I66-Y123 HydrophobicContact CD1-CD2 3.58Å; I66-Y123 HydrophobicContact CD1-CE2 3.99Å; I66-Y123 HydrophobicContact CD1-CG 3.75Å; I66-Y123 HydrophobicContact CG1-CD2 4.05Å; I66-Y123 HydrophobicContact CG1-CE2 3.91Å; I66-Y123 HydrophobicContact CG1-CG 4.45Å
67	L	98.7	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.6	179.3	-51.4	173	0	0	0	109	A46 A55 V65 L75 M79 I82 P99 S100 C101 Y102	A46-L67 HydrophobicContact CB-CB 3.95Å; A46-L67 HydrophobicContact CB-CD2 3.87Å; A55-L67 HydrophobicContact CB-CD2 3.34Å; V65-L67 HydrophobicContact CG1-CD2 3.69Å; V65-L67 HydrophobicContact CG1-CG 4.42Å; L67-L75 HydrophobicContact CB-CD2 3.97Å; L67-M79 HydrophobicContact CD1-CB 3.83Å; L67-M79 HydrophobicContact CD1-CG 4.3Å; L67-I82 HydrophobicContact CD1-CD1 4.25Å; L67-I82 HydrophobicContact CD2-CD1 3.96Å; L67-P99 HydrophobicContact CD1-CB 4.31Å; L67-S100 PolarHBondContact N-O 3.02Å; L67-C101 WeakPolarHBondContact O-CA 3.41Å; L67-Y102 PolarHBondContact O-N 3.25Å
68	A	98.7	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127	-177.6	0	0	0	0	0	111.9	L42 V43 T44 G45 A46 Y102 V104 F115	L42-A68 HydrophobicContact CD1-CB 3.79Å; V43-A68 PolarHBondContact O-N 3.15Å; T44-A68 CarbonylContact C-O 3.6Å; G45-A68 PolarHBondContact N-O 3.2Å; A46-A68 PolarHBondContact N-O 3.32Å; A68-Y102 WeakPolarHBondContact CA-O 3.23Å; A68-V104 HydrophobicContact CB-CG1 3.78Å; A68-F115 HydrophobicContact CB-CE2 3.75Å; A68-F115 HydrophobicContact CB-CZ 3.94Å
69	A	98.1	Very high	97.2	Very high	7 Å²	7	44.4 Å²	44.4	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	175.6	175.5	0	0	0	0	0	110.8	S47 L75 Y102 Q103 V104	S47-A69 WeakPolarHBondContact OG-CB 3.49Å; A69-L75 HydrophobicContact CB-CD1 4.02Å; A69-L75 HydrophobicContact CB-CD2 3.79Å; A69-L75 HydrophobicContact CB-CG 4.04Å; A69-Y102 PolarHBondContact N-O 2.82Å; A69-Q103 VanDerWaalsContact O-CA 3.28Å; A69-Q103 WeakPolarHBondContact O-CA 3.42Å; A69-V104 CarbonylContact C-O 3.6Å; A69-V104 VanDerWaalsContact C-O 3.29Å; A69-V104 PolarHBondContact O-N 2.87Å
70	R	97.1	Very high	97.1	Very high	150 Å²	150	45.4 Å²	45.4	57%	0.566	22%	0.219	S	C	*	.	S	Bend	trans	-71.5	-33.2	-179.7	-65.2	174.3	-64.2	169.3	0.4	114.7	Q103 V104 D105	R70-Q103 WeakPolarHBondContact O-CG 3.48Å; R70-V104 VanDerWaalsContact CG-O 3.29Å; R70-V104 WeakPolarHBondContact CG-O 3.43Å; R70-V104 PolarHBondContact N-O 2.8Å; R70-D105 WeakPolarHBondContact CD-OD1 3.3Å; R70-D105 HydrophobicContact CG-CB 3.99Å
71	N	95.9	Very high	97.1	Very high	82 Å²	82	46.7 Å²	46.7	44%	0.439	23%	0.23	S	C	.	.			trans	-104.3	101	-173.5	-176	-41	0	0	0	110.2	D73 K74 L75	N71-D73 PolarHBondContact OD1-N 3.03Å; N71-K74 HydrophobicContact CB-CB 4.09Å; N71-K74 PolarHBondContact O-N 3.14Å; N71-K74 WeakPolarHBondContact OD1-CB 3.34Å; N71-K74 PolarHBondContact OD1-N 2.91Å; N71-L75 WeakPolarHBondContact O-CG 3.27Å; N71-L75 PolarHBondContact O-N 2.94Å; N71-L75 VanDerWaalsContact O-N 3.15Å
72	L	96.1	Very high	97.1	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-38.4	-175.9	-171	61.3	0	0	0	113	K74 L75 R76 C101	L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 3.07Å; L72-L75 HydrophobicContact CD1-CD1 4.36Å; L72-L75 WeakPolarHBondContact O-CB 3.45Å; L72-L75 PolarHBondContact O-N 3Å; L72-L75 VanDerWaalsContact O-N 3.15Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 3.19Å; L72-C101 HydrophobicContact CD1-CB 3.79Å
73	D	96.7	Very high	97.1	Very high	102 Å²	102	47.6 Å²	47.6	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-40.6	179.3	-62.2	-36.4	0	0	0	111.5	N71 L75 R76 L77	N71-D73 PolarHBondContact OD1-N 3.03Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.45Å; D73-R76 PolarHBondContact O-N 3.14Å; D73-R76 IonicContact OD1-NH1 3.29Å; D73-R76 PolarHBondContact OD1-NH1 3.35Å; D73-L77 WeakPolarHBondContact O-CG 3.26Å; D73-L77 PolarHBondContact O-N 3.46Å; D73-L77 VanDerWaalsContact O-N 3.08Å
74	K	96.5	Very high	96.9	Very high	82 Å²	82	53 Å²	53	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-36.3	174.2	-166.4	176.7	-173.2	-160.3	0	112.1	S47 N71 L72 L77 I78	S47-K74 VanDerWaalsContact O-CD 3.29Å; S47-K74 WeakPolarHBondContact O-CD 3.38Å; S47-K74 WeakPolarHBondContact O-CE 3.37Å; S47-K74 PolarHBondContact O-NZ 3.08Å; N71-K74 HydrophobicContact CB-CB 4.09Å; N71-K74 PolarHBondContact O-N 3.14Å; N71-K74 WeakPolarHBondContact OD1-CB 3.34Å; N71-K74 PolarHBondContact OD1-N 2.91Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 3.07Å; K74-L77 PolarHBondContact O-N 2.91Å; K74-I78 HydrophobicContact CG-CD1 4.17Å; K74-I78 WeakPolarHBondContact O-CG1 3.31Å; K74-I78 PolarHBondContact O-N 3.45Å; K74-I78 VanDerWaalsContact O-N 3.07Å
75	L	97.8	Very high	96.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-43.7	173.8	-70.6	175	0	0	0	111.5	A46 L67 A69 N71 L72 D73 L77 I78 M79 C101 Y102	A46-L75 HydrophobicContact CB-CD2 4.11Å; L67-L75 HydrophobicContact CB-CD2 3.97Å; A69-L75 HydrophobicContact CB-CD1 4.02Å; A69-L75 HydrophobicContact CB-CD2 3.79Å; A69-L75 HydrophobicContact CB-CG 4.04Å; N71-L75 WeakPolarHBondContact O-CG 3.27Å; N71-L75 PolarHBondContact O-N 2.94Å; N71-L75 VanDerWaalsContact O-N 3.15Å; L72-L75 HydrophobicContact CD1-CD1 4.36Å; L72-L75 WeakPolarHBondContact O-CB 3.45Å; L72-L75 PolarHBondContact O-N 3Å; L72-L75 VanDerWaalsContact O-N 3.15Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.45Å; L75-L77 PolarHBondContact O-N 3.08Å; L75-I78 PolarHBondContact O-N 3.36Å; L75-M79 WeakPolarHBondContact O-CB 3.29Å; L75-M79 PolarHBondContact O-N 2.99Å; L75-C101 HydrophobicContact CB-CB 3.99Å; L75-C101 HydrophobicContact CD1-CB 4.35Å; L75-Y102 WeakPolarHBondContact CD1-O 3.32Å
76	R	97.2	Very high	96.4	Very high	134 Å²	134	52.6 Å²	52.6	51%	0.506	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-42.6	177.3	-69.3	170.2	179.5	148.7	-6.6	112.1	L72 D73 I78 M79 G80	L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 3.19Å; D73-R76 PolarHBondContact O-N 3.14Å; D73-R76 IonicContact OD1-NH1 3.29Å; D73-R76 PolarHBondContact OD1-NH1 3.35Å; R76-I78 PolarHBondContact O-N 3.39Å; R76-M79 WeakPolarHBondContact O-CB 3.41Å; R76-M79 PolarHBondContact O-N 3.31Å; R76-G80 PolarHBondContact O-N 3.14Å
77	L	96.8	Very high	96	Very high	137 Å²	137	56.1 Å²	56.1	72%	0.717	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-44.3	174.6	-68.9	174.2	0	0	0	112	D73 K74 L75 G80 S81	D73-L77 WeakPolarHBondContact O-CG 3.26Å; D73-L77 PolarHBondContact O-N 3.46Å; D73-L77 VanDerWaalsContact O-N 3.08Å; K74-L77 PolarHBondContact O-N 2.91Å; L75-L77 PolarHBondContact O-N 3.08Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-S81 PolarHBondContact O-N 3.41Å
78	I	95.7	Very high	95.6	Very high	13 Å²	13	60.2 Å²	60.2	7%	0.067	32%	0.321	C	S	.	.	H	α-helix	trans	-67.8	-37.8	178.5	-77.7	166.4	0	0	0	111.8	S47 E52 K74 L75 R76 G80 S81 I82	S47-I78 VanDerWaalsContact CA-CD1 3.45Å; S47-I78 WeakPolarHBondContact O-CD1 3.41Å; E52-I78 HydrophobicContact CB-CG2 4.45Å; E52-I78 HydrophobicContact CG-CG2 3.8Å; K74-I78 HydrophobicContact CG-CD1 4.17Å; K74-I78 WeakPolarHBondContact O-CG1 3.31Å; K74-I78 PolarHBondContact O-N 3.45Å; K74-I78 VanDerWaalsContact O-N 3.07Å; L75-I78 PolarHBondContact O-N 3.36Å; R76-I78 PolarHBondContact O-N 3.39Å; I78-G80 VanDerWaalsContact C-N 3.31Å; I78-G80 PolarHBondContact O-N 2.97Å; I78-S81 PolarHBondContact O-N 3.36Å; I78-S81 VanDerWaalsContact O-N 3.17Å; I78-I82 HydrophobicContact CG2-CD1 3.66Å; I78-I82 HydrophobicContact CG2-CG1 4.17Å; I78-I82 WeakPolarHBondContact O-CG1 3.32Å; I78-I82 PolarHBondContact O-N 3.38Å
79	M	97.4	Very high	95.1	Very high	43 Å²	43	66.8 Å²	66.8	21%	0.212	35%	0.35	C	S	.	.	H	α-helix	trans	-56	-47.4	175.2	-178.4	173.9	78.5	0	0	110.9	L67 L75 R76 S81 I82 V83 P99 C101	L67-M79 HydrophobicContact CD1-CB 3.83Å; L67-M79 HydrophobicContact CD1-CG 4.3Å; L75-M79 WeakPolarHBondContact O-CB 3.29Å; L75-M79 PolarHBondContact O-N 2.99Å; R76-M79 WeakPolarHBondContact O-CB 3.41Å; R76-M79 PolarHBondContact O-N 3.31Å; M79-S81 PolarHBondContact O-N 3.18Å; M79-I82 PolarHBondContact O-N 3.09Å; M79-V83 WeakPolarHBondContact O-CG2 3.29Å; M79-V83 PolarHBondContact O-N 3.37Å; M79-P99 HydrophobicContact CG-CB 3.91Å; M79-P99 HydrophobicContact CG-CG 4.04Å; M79-P99 HydrophobicContact SD-CB 4.21Å; M79-P99 VanDerWaalsContact SD-O 3.37Å; M79-C101 VanDerWaalsContact SD-SG 3.6Å
80	G	96.3	Very high	94.5	Very high	31 Å²	31	67.8 Å²	67.8	32%	0.32	36%	0.355	S	S	.	.	H	α-helix	trans	-56.3	-49.8	173.5	0	0	0	0	0	112.3	R76 L77 I78 I82 V83 D84	R76-G80 PolarHBondContact O-N 3.14Å; L77-G80 PolarHBondContact O-N 3.46Å; I78-G80 VanDerWaalsContact C-N 3.31Å; I78-G80 PolarHBondContact O-N 2.97Å; G80-I82 VanDerWaalsContact C-N 3.3Å; G80-I82 PolarHBondContact O-N 3.24Å; G80-V83 PolarHBondContact O-N 3.12Å; G80-V83 VanDerWaalsContact O-N 3.14Å; G80-D84 PolarHBondContact O-N 2.85Å
81	S	94.9	Very high	93.6	Very high	52 Å²	52	64.1 Å²	64.1	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-36.1	177.1	177.8	0	0	0	0	113.7	L77 I78 M79 Y85	L77-S81 PolarHBondContact O-N 3.41Å; I78-S81 PolarHBondContact O-N 3.36Å; I78-S81 VanDerWaalsContact O-N 3.17Å; M79-S81 PolarHBondContact O-N 3.18Å; S81-Y85 WeakPolarHBondContact O-CB 3.28Å; S81-Y85 PolarHBondContact O-N 3.49Å
82	I	96.3	Very high	92.7	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-44	176.3	-73	171.4	0	0	0	110.6	A55 R56 Y59 L67 I78 M79 G80 Y85 G86	A55-I82 HydrophobicContact CB-CD1 3.81Å; R56-I82 HydrophobicContact CB-CG1 4.17Å; Y59-I82 HydrophobicContact CD1-CG2 3.44Å; Y59-I82 VanDerWaalsContact CD1-CG2 3.44Å; Y59-I82 WeakPolarHBondContact CD1-O 3.33Å; Y59-I82 HydrophobicContact CD2-CG2 4.07Å; Y59-I82 HydrophobicContact CE1-CG2 4.07Å; Y59-I82 VanDerWaalsContact CE1-O 3.25Å; Y59-I82 WeakPolarHBondContact CE1-O 3.49Å; Y59-I82 HydrophobicContact CG-CG2 3.43Å; Y59-I82 VanDerWaalsContact CG-CG2 3.43Å; L67-I82 HydrophobicContact CD1-CD1 4.25Å; L67-I82 HydrophobicContact CD2-CD1 3.96Å; I78-I82 HydrophobicContact CG2-CD1 3.66Å; I78-I82 HydrophobicContact CG2-CG1 4.17Å; I78-I82 WeakPolarHBondContact O-CG1 3.32Å; I78-I82 PolarHBondContact O-N 3.38Å; M79-I82 PolarHBondContact O-N 3.09Å; G80-I82 VanDerWaalsContact C-N 3.3Å; G80-I82 PolarHBondContact O-N 3.24Å; I82-Y85 PolarHBondContact O-N 2.87Å; I82-G86 PolarHBondContact O-N 2.81Å
83	V	96	Very high	92	Very high	50 Å²	50	72 Å²	72	30%	0.303	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-50.8	178.1	171.7	0	0	0	0	110.5	M79 G80 Y85 G86 A87 P99	M79-V83 WeakPolarHBondContact O-CG2 3.29Å; M79-V83 PolarHBondContact O-N 3.37Å; G80-V83 PolarHBondContact O-N 3.12Å; G80-V83 VanDerWaalsContact O-N 3.14Å; V83-Y85 VanDerWaalsContact C-N 3.32Å; V83-Y85 PolarHBondContact O-N 2.86Å; V83-G86 PolarHBondContact O-N 3.23Å; V83-A87 PolarHBondContact O-N 3.23Å; V83-P99 HydrophobicContact CG2-CG 4.09Å
84	D	94.3	Very high	91.6	Very high	113 Å²	113	68 Å²	68	60%	0.604	38%	0.379	S	S	*	.	H	α-helix	trans	-58.5	-44.6	177.7	-67.3	-19.5	0	0	0	111.5	G80 G86 A87 S88	G80-D84 PolarHBondContact O-N 2.85Å; D84-G86 PolarHBondContact O-N 3.02Å; D84-A87 PolarHBondContact O-N 3.02Å; D84-S88 PolarHBondContact O-N 3.36Å; D84-S88 VanDerWaalsContact O-N 3.11Å
85	Y	92.7	Very high	91.5	Very high	67 Å²	67	70.2 Å²	70.2	26%	0.263	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-47.6	177.1	-177.2	-88.1	0	0	0	111.6	R56 I60 S81 I82 V83 S88 K89	R56-Y85 VanDerWaalsContact CD-CD1 3.45Å; R56-Y85 HydrophobicContact CG-CD1 3.42Å; R56-Y85 VanDerWaalsContact CG-CD1 3.42Å; R56-Y85 HydrophobicContact CG-CE1 3.72Å; R56-Y85 HydrophobicContact CG-CG 3.94Å; I60-Y85 HydrophobicContact CG2-CD1 3.88Å; I60-Y85 HydrophobicContact CG2-CE1 3.95Å; S81-Y85 WeakPolarHBondContact O-CB 3.28Å; S81-Y85 PolarHBondContact O-N 3.49Å; I82-Y85 PolarHBondContact O-N 2.87Å; V83-Y85 VanDerWaalsContact C-N 3.32Å; V83-Y85 PolarHBondContact O-N 2.86Å; Y85-S88 PolarHBondContact O-N 3Å; Y85-S88 PolarHBondContact O-OG 2.87Å; Y85-K89 HydrophobicContact CD1-CG 4.13Å; Y85-K89 HydrophobicContact CE1-CB 4.29Å; Y85-K89 HydrophobicContact CE1-CG 3.72Å; Y85-K89 HydrophobicContact CE2-CG 4.17Å; Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 WeakPolarHBondContact O-CG 3.25Å; Y85-K89 PolarHBondContact O-N 2.94Å
86	G	92.7	Very high	91.3	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-63.9	-43.3	179.3	0	0	0	0	0	112.4	I82 V83 D84 S88 K89 V90	I82-G86 PolarHBondContact O-N 2.81Å; V83-G86 PolarHBondContact O-N 3.23Å; D84-G86 PolarHBondContact O-N 3.02Å; G86-S88 PolarHBondContact O-N 2.95Å; G86-K89 PolarHBondContact O-N 3.44Å; G86-K89 VanDerWaalsContact O-N 3.09Å; G86-V90 WeakPolarHBondContact O-CB 3.28Å; G86-V90 VanDerWaalsContact O-CG2 3.24Å; G86-V90 WeakPolarHBondContact O-CG2 3.37Å; G86-V90 PolarHBondContact O-N 2.8Å
87	A	90.5	Very high	91.3	Very high	74 Å²	74	67.8 Å²	67.8	61%	0.612	39%	0.386	S	S	*	.	H	α-helix	trans	-56.2	-35.5	175.2	0	0	0	0	0	112.3	V83 D84	V83-A87 PolarHBondContact O-N 3.23Å; D84-A87 PolarHBondContact O-N 3.02Å
88	S	91	Very high	91.2	Very high	85 Å²	85	68.8 Å²	68.8	59%	0.594	39%	0.387	S	S	*	.	H	α-helix	trans	-80.1	-19.2	178.6	78	0	0	0	0	115.5	D84 Y85 G86	D84-S88 PolarHBondContact O-N 3.36Å; D84-S88 VanDerWaalsContact O-N 3.11Å; Y85-S88 PolarHBondContact O-N 3Å; Y85-S88 PolarHBondContact O-OG 2.87Å; G86-S88 PolarHBondContact O-N 2.95Å
89	K	87.1	Confident	91.3	Very high	139 Å²	139	68.3 Å²	68.3	60%	0.604	38%	0.384	S	S	*	.	H	α-helix	trans	-113.5	-19.5	-169.8	-71.1	-58.6	-179	-169.6	0	114.5	Y85 G86	Y85-K89 HydrophobicContact CD1-CG 4.13Å; Y85-K89 HydrophobicContact CE1-CB 4.29Å; Y85-K89 HydrophobicContact CE1-CG 3.72Å; Y85-K89 HydrophobicContact CE2-CG 4.17Å; Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 WeakPolarHBondContact O-CG 3.25Å; Y85-K89 PolarHBondContact O-N 2.94Å; G86-K89 PolarHBondContact O-N 3.44Å; G86-K89 VanDerWaalsContact O-N 3.09Å
90	V	85.2	Confident	91.3	Very high	27 Å²	27	66.8 Å²	66.8	16%	0.164	38%	0.378	C	S	.	.			trans	-105.5	128.4	-165.9	178.3	0	0	0	0	109.8	I60 G86 V94 L96	I60-V90 HydrophobicContact CB-CG2 3.66Å; I60-V90 HydrophobicContact CG2-CG2 3.81Å; G86-V90 WeakPolarHBondContact O-CB 3.28Å; G86-V90 VanDerWaalsContact O-CG2 3.24Å; G86-V90 WeakPolarHBondContact O-CG2 3.37Å; G86-V90 PolarHBondContact O-N 2.8Å; V90-V94 HydrophobicContact CG1-CB 3.28Å; V90-V94 HydrophobicContact CG1-CG1 3.59Å; V90-V94 HydrophobicContact CG1-CG2 3.7Å; V90-L96 HydrophobicContact CB-CD1 4.33Å; V90-L96 HydrophobicContact CG1-CD1 4.48Å; V90-L96 HydrophobicContact CG1-CD2 4.21Å; V90-L96 HydrophobicContact CG1-CG 4.39Å; V90-L96 HydrophobicContact CG2-CD2 4.29Å
91	S	78.7	Confident	91.4	Very high	73 Å²	73	66.6 Å²	66.6	51%	0.51	37%	0.372	S	S	.	.			trans	-66.1	151.8	171.6	166.6	0	0	0	0	110.7	T93 V94	S91-T93 PolarHBondContact O-N 3.23Å; S91-T93 PolarHBondContact OG-N 3.48Å; S91-T93 PolarHBondContact OG-OG1 3.23Å; S91-V94 PolarHBondContact O-N 3.48Å
92	N	77.4	Confident	91.6	Very high	169 Å²	169	65.7 Å²	65.7	90%	0.904	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-8.4	174.2	-64.9	-10.1	0	0	0	115	V94	N92-V94 PolarHBondContact O-N 2.92Å
93	T	81.7	Confident	91.7	Very high	119 Å²	119	71.2 Å²	71.2	73%	0.73	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.6	174.7	52.9	0	0	0	0	114.1	S91	S91-T93 PolarHBondContact O-N 3.23Å; S91-T93 PolarHBondContact OG-N 3.48Å; S91-T93 PolarHBondContact OG-OG1 3.23Å
94	V	87.9	Confident	91.8	Very high	19 Å²	19	69 Å²	69	12%	0.115	37%	0.373	C	S	.	.	S	Bend	trans	-115.4	120.1	-179	173.2	0	0	0	0	109.7	R37 V90 S91 N92 L96	R37-V94 VanDerWaalsContact NH1-CG2 3.29Å; V90-V94 HydrophobicContact CG1-CB 3.28Å; V90-V94 HydrophobicContact CG1-CG1 3.59Å; V90-V94 HydrophobicContact CG1-CG2 3.7Å; S91-V94 PolarHBondContact O-N 3.48Å; N92-V94 PolarHBondContact O-N 2.92Å; V94-L96 HydrophobicContact CG1-CD2 4.02Å; V94-L96 PolarHBondContact O-N 2.93Å
95	Q	93	Very high	92	Very high	129 Å²	129	66 Å²	66	60%	0.603	36%	0.357	S	S	*	.			trans	-73.5	120.3	167.7	-172.4	176.1	10.5	0	0	109.9	G62	G62-Q95 VanDerWaalsContact CA-O 3.31Å; G62-Q95 WeakPolarHBondContact CA-O 3.41Å
96	L	95.1	Very high	92.2	Very high	51 Å²	51	63.1 Å²	63.1	27%	0.267	35%	0.346	S	S	.	.			trans	-91.1	145.8	170	-62.3	178.5	0	0	0	109.6	Y59 V90 V94	Y59-L96 HydrophobicContact CD1-CD2 4.42Å; Y59-L96 HydrophobicContact CE1-CD1 4.02Å; Y59-L96 HydrophobicContact CE1-CD2 4.16Å; Y59-L96 HydrophobicContact CE2-CB 4.35Å; Y59-L96 VanDerWaalsContact O-CD2 3.28Å; Y59-L96 WeakPolarHBondContact O-CD2 3.12Å; V90-L96 HydrophobicContact CB-CD1 4.33Å; V90-L96 HydrophobicContact CG1-CD1 4.48Å; V90-L96 HydrophobicContact CG1-CD2 4.21Å; V90-L96 HydrophobicContact CG1-CG 4.39Å; V90-L96 HydrophobicContact CG2-CD2 4.29Å; V94-L96 HydrophobicContact CG1-CD2 4.02Å; V94-L96 PolarHBondContact O-N 2.93Å
97	H	95.7	Very high	92.5	Very high	31 Å²	31	65.6 Å²	65.6	14%	0.144	36%	0.363	C	S	.	.			trans	-120.7	133.8	-178.6	-62.1	-91.3	0	0	0	109.5	N38 Y59 G62 K64 P99	N38-H97 PolarHBondContact OD1-CE1 3.04Å; N38-H97 VanDerWaalsContact OD1-CE1 3.32Å; N38-H97 PolarHBondContact OD1-NE2 2.9Å; Y59-H97 VanDerWaalsContact CE2-O 3.23Å; Y59-H97 WeakPolarHBondContact CE2-O 3.45Å; G62-H97 PolarHBondContact O-CD2 3.3Å; G62-H97 VanDerWaalsContact O-CD2 3.3Å; K64-H97 HydrophobicContact CB-CB 4.44Å; K64-H97 HydrophobicContact CG-CB 3.73Å; H97-P99 WeakPolarHBondContact O-CD 3.47Å; H97-P99 VanDerWaalsContact O-N 3.16Å
98	E	95.4	Very high	92.8	Very high	159 Å²	159	63.9 Å²	63.9	74%	0.743	35%	0.347	S	S	*	.			trans	-52	121.1	177.1	-169	179.9	177.2	0	0	111.2
99	P	97.5	Very high	93.1	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.013	34%	0.34	C	S	.	.			trans	-65.8	160.2	176.3	-16.2	29.3	0	0	0	111.2	Y59 V65 L67 M79 V83 H97	Y59-P99 HydrophobicContact CD2-CG 3.91Å; Y59-P99 HydrophobicContact CE2-CG 3.79Å; V65-P99 VanDerWaalsContact O-CA 3.3Å; V65-P99 WeakPolarHBondContact O-CA 3.3Å; L67-P99 HydrophobicContact CD1-CB 4.31Å; M79-P99 HydrophobicContact CG-CB 3.91Å; M79-P99 HydrophobicContact CG-CG 4.04Å; M79-P99 HydrophobicContact SD-CB 4.21Å; M79-P99 VanDerWaalsContact SD-O 3.37Å; V83-P99 HydrophobicContact CG2-CG 4.09Å; H97-P99 WeakPolarHBondContact O-CD 3.47Å; H97-P99 VanDerWaalsContact O-N 3.16Å
100	S	98	Very high	93.6	Very high	11 Å²	11	61.3 Å²	61.3	8%	0.077	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.3	172.8	-68.3	0	0	0	0	110.9	V65 L67 K122 Y123	V65-S100 PolarHBondContact O-N 2.83Å; L67-S100 PolarHBondContact N-O 3.02Å; S100-K122 PolarHBondContact OG-NZ 3.42Å; S100-Y123 PolarHBondContact OG-OH 3.45Å
101	C	98.4	Very high	94.2	Very high	28 Å²	28	60.7 Å²	60.7	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.6	-179.5	-64.4	0	0	0	0	110.4	L67 L72 L75 M79	L67-C101 WeakPolarHBondContact O-CA 3.41Å; L72-C101 HydrophobicContact CD1-CB 3.79Å; L75-C101 HydrophobicContact CB-CB 3.99Å; L75-C101 HydrophobicContact CD1-CB 4.35Å; M79-C101 VanDerWaalsContact SD-SG 3.6Å
102	Y	98.4	Very high	95.2	Very high	33 Å²	33	57.3 Å²	57.3	13%	0.129	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142	177.4	-72.9	-96.7	0	0	0	110.6	I66 L67 A68 A69 L75 F115 D118 V119 Y123	I66-Y102 HydrophobicContact CG2-CD2 3.56Å; I66-Y102 HydrophobicContact CG2-CE2 3.98Å; L67-Y102 PolarHBondContact O-N 3.25Å; A68-Y102 WeakPolarHBondContact CA-O 3.23Å; A69-Y102 PolarHBondContact N-O 2.82Å; L75-Y102 WeakPolarHBondContact CD1-O 3.32Å; Y102-F115 HydrophobicContact CG-CD2 4.49Å; Y102-F115 HydrophobicContact CG-CE2 4.25Å; Y102-D118 HydrophobicContact CD1-CB 3.99Å; Y102-D118 HydrophobicContact CE1-CB 3.81Å; Y102-D118 WeakPolarHBondContact CE1-O 3.49Å; Y102-D118 PolarHBondContact OH-O 3.3Å; Y102-V119 HydrophobicContact CD1-CG2 3.67Å; Y102-V119 HydrophobicContact CD2-CG2 3.87Å; Y102-V119 HydrophobicContact CE1-CG2 3.84Å; Y102-V119 HydrophobicContact CE2-CG2 4.01Å; Y102-V119 HydrophobicContact CG-CG2 3.68Å; Y102-Y123 HydrophobicContact CE2-CE2 4.3Å
103	Q	98.2	Very high	96.2	Very high	116 Å²	116	53.8 Å²	53.8	54%	0.542	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131	176.2	-176.3	171.3	-20.8	0	0	110.1	A69 R70	A69-Q103 VanDerWaalsContact O-CA 3.28Å; A69-Q103 WeakPolarHBondContact O-CA 3.42Å; R70-Q103 WeakPolarHBondContact O-CG 3.48Å
104	V	98.5	Very high	96.9	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	28%	0.28	C	S	.	.			trans	-147.7	132.1	170.7	66.5	0	0	0	0	110.6	A68 A69 R70 L106 I112 F115	A68-V104 HydrophobicContact CB-CG1 3.78Å; A69-V104 CarbonylContact C-O 3.6Å; A69-V104 VanDerWaalsContact C-O 3.29Å; A69-V104 PolarHBondContact O-N 2.87Å; R70-V104 VanDerWaalsContact CG-O 3.29Å; R70-V104 WeakPolarHBondContact CG-O 3.43Å; R70-V104 PolarHBondContact N-O 2.8Å; V104-L106 HydrophobicContact CG2-CD2 4.09Å; V104-I112 HydrophobicContact CG2-CG1 4.04Å; V104-F115 HydrophobicContact CB-CB 3.97Å; V104-F115 HydrophobicContact CB-CD1 4.27Å; V104-F115 HydrophobicContact CB-CD2 3.75Å; V104-F115 HydrophobicContact CB-CE2 4.36Å; V104-F115 HydrophobicContact CB-CG 3.71Å; V104-F115 HydrophobicContact CG1-CD2 4.33Å; V104-F115 HydrophobicContact CG1-CE2 4.46Å; V104-F115 HydrophobicContact CG2-CB 3.83Å; V104-F115 HydrophobicContact CG2-CD1 3.99Å; V104-F115 HydrophobicContact CG2-CD2 4.33Å; V104-F115 HydrophobicContact CG2-CG 3.77Å
105	D	98.3	Very high	97.4	Very high	48 Å²	48	54.8 Å²	54.8	26%	0.257	28%	0.275	S	S	.	.			trans	-105.2	110.4	165.7	-169.1	3	0	0	0	110.4	R70 S107 S108 S111	R70-D105 WeakPolarHBondContact CD-OD1 3.3Å; R70-D105 HydrophobicContact CG-CB 3.99Å; D105-S107 PolarHBondContact O-N 2.76Å; D105-S107 PolarHBondContact OD1-N 2.8Å; D105-S107 PolarHBondContact OD1-OG 3.29Å; D105-S107 PolarHBondContact OD2-OG 3.22Å; D105-S108 PolarHBondContact O-N 3.3Å; D105-S108 VanDerWaalsContact O-N 3.1Å; D105-S111 PolarHBondContact N-OG 2.91Å
106	L	98.3	Very high	97.7	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.042	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.4	-177.2	-66.1	-177.7	0	0	0	113.8	V104 S108 I112 A133 V155 G159 H160 L163	V104-L106 HydrophobicContact CG2-CD2 4.09Å; L106-S108 VanDerWaalsContact C-N 3.27Å; L106-I112 HydrophobicContact CD2-CD1 4.17Å; L106-I112 HydrophobicContact CD2-CG1 4.11Å; L106-A133 HydrophobicContact CD1-CB 3.42Å; L106-A133 VanDerWaalsContact CD1-CB 3.42Å; L106-V155 HydrophobicContact CB-CG1 4.41Å; L106-G159 WeakPolarHBondContact O-CA 3.28Å; L106-H160 VanDerWaalsContact CD1-CE1 3.46Å; L106-H160 WeakPolarHBondContact CD1-CE1 3.35Å; L106-L163 HydrophobicContact CD2-CD2 4.25Å
107	S	97.8	Very high	97.7	Very high	52 Å²	52	50.1 Å²	50.1	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	6.4	169.9	51.8	0	0	0	0	114.2	D105	D105-S107 PolarHBondContact O-N 2.76Å; D105-S107 PolarHBondContact OD1-N 2.8Å; D105-S107 PolarHBondContact OD1-OG 3.29Å; D105-S107 PolarHBondContact OD2-OG 3.22Å
108	S	98	Very high	97.8	Very high	38 Å²	38	52.5 Å²	52.5	27%	0.266	27%	0.268	S	S	.	.			trans	-133.3	115.7	-179.9	170.4	0	0	0	0	110.6	D105 L106 D110 S111 I112	D105-S108 PolarHBondContact O-N 3.3Å; D105-S108 VanDerWaalsContact O-N 3.1Å; L106-S108 VanDerWaalsContact C-N 3.27Å; S108-D110 VanDerWaalsContact C-N 3.34Å; S108-D110 PolarHBondContact O-N 3.4Å; S108-S111 WeakPolarHBondContact O-CB 3.38Å; S108-S111 PolarHBondContact O-N 2.83Å; S108-S111 VanDerWaalsContact O-N 3.12Å; S108-S111 PolarHBondContact OG-N 3.43Å; S108-I112 WeakPolarHBondContact O-CG1 3.46Å; S108-I112 PolarHBondContact O-N 3.38Å
109	T	96.8	Very high	97.9	Very high	73 Å²	73	45 Å²	45	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-46.9	174.3	48.1	0	0	0	0	111.2	S111 I112 E113 F162	T109-S111 PolarHBondContact O-N 3.13Å; T109-I112 CarbonylContact O-C 3.53Å; T109-I112 WeakPolarHBondContact O-CA 3.32Å; T109-I112 WeakPolarHBondContact O-CB 3.36Å; T109-I112 PolarHBondContact O-N 3.37Å; T109-E113 PolarHBondContact O-N 3.2Å; T109-F162 HydrophobicContact CG2-CD1 4.07Å; T109-F162 HydrophobicContact CG2-CD2 4.29Å; T109-F162 HydrophobicContact CG2-CE1 4.07Å; T109-F162 HydrophobicContact CG2-CE2 4.3Å; T109-F162 HydrophobicContact CG2-CG 4.18Å; T109-F162 HydrophobicContact CG2-CZ 4.19Å
110	D	98	Very high	97.9	Very high	97 Å²	97	46.5 Å²	46.5	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-32.1	177	-55.2	0.7	0	0	0	112.9	S108 R114	S108-D110 VanDerWaalsContact C-N 3.34Å; S108-D110 PolarHBondContact O-N 3.4Å; D110-R114 WeakPolarHBondContact O-CG 3.47Å; D110-R114 PolarHBondContact O-N 3.23Å; D110-R114 PolarHBondContact O-NE 3.36Å; D110-R114 VanDerWaalsContact O-NE 3.08Å
111	S	98.3	Very high	97.8	Very high	14 Å²	14	53.6 Å²	53.6	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-36.8	172.6	-175.6	0	0	0	0	111.6	D105 S108 T109 F115	D105-S111 PolarHBondContact N-OG 2.91Å; S108-S111 WeakPolarHBondContact O-CB 3.38Å; S108-S111 PolarHBondContact O-N 2.83Å; S108-S111 VanDerWaalsContact O-N 3.12Å; S108-S111 PolarHBondContact OG-N 3.43Å; T109-S111 PolarHBondContact O-N 3.13Å; S111-F115 WeakPolarHBondContact O-CB 3.48Å; S111-F115 PolarHBondContact O-N 2.97Å; S111-F115 VanDerWaalsContact O-N 3.09Å
112	I	98.5	Very high	97.7	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-70.8	-43.2	179.4	-64.9	164	0	0	0	110.4	V104 L106 S108 T109 F115 I116 F162 L163	V104-I112 HydrophobicContact CG2-CG1 4.04Å; L106-I112 HydrophobicContact CD2-CD1 4.17Å; L106-I112 HydrophobicContact CD2-CG1 4.11Å; S108-I112 WeakPolarHBondContact O-CG1 3.46Å; S108-I112 PolarHBondContact O-N 3.38Å; T109-I112 CarbonylContact O-C 3.53Å; T109-I112 WeakPolarHBondContact O-CA 3.32Å; T109-I112 WeakPolarHBondContact O-CB 3.36Å; T109-I112 PolarHBondContact O-N 3.37Å; I112-F115 WeakPolarHBondContact O-CB 3.41Å; I112-F115 PolarHBondContact O-N 3.45Å; I112-I116 HydrophobicContact CG2-CD1 3.84Å; I112-I116 HydrophobicContact CG2-CG1 4.36Å; I112-I116 VanDerWaalsContact O-CG1 3.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.41Å; I112-I116 PolarHBondContact O-N 3.04Å; I112-F162 HydrophobicContact CB-CD1 3.85Å; I112-F162 HydrophobicContact CB-CE1 4.04Å; I112-F162 HydrophobicContact CD1-CB 4.44Å; I112-F162 HydrophobicContact CD1-CD1 3.81Å; I112-F162 HydrophobicContact CG1-CD1 4.46Å; I112-F162 HydrophobicContact CG2-CD1 3.67Å; I112-F162 HydrophobicContact CG2-CE1 4Å; I112-L163 HydrophobicContact CG2-CB 4.03Å; I112-L163 HydrophobicContact CG2-CD1 4.05Å
113	E	97.8	Very high	97.6	Very high	96 Å²	96	57.6 Å²	57.6	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-49	178.1	-69.9	179.3	167.6	0	0	112.1	T109 F115 I116 N117 F162	T109-E113 PolarHBondContact O-N 3.2Å; E113-F115 VanDerWaalsContact C-N 3.31Å; E113-F115 PolarHBondContact O-N 2.84Å; E113-I116 PolarHBondContact O-N 2.77Å; E113-N117 PolarHBondContact O-N 3.17Å; E113-N117 PolarHBondContact O-ND2 3.49Å; E113-F162 HydrophobicContact CG-CE1 3.85Å; E113-F162 HydrophobicContact CG-CZ 3.9Å
114	R	97.8	Very high	97.3	Very high	156 Å²	156	57.3 Å²	57.3	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-58.5	-45.1	174.7	-74.2	-177.1	-69.8	156.1	-6	111.6	D110 I116 N117 D118	D110-R114 WeakPolarHBondContact O-CG 3.47Å; D110-R114 PolarHBondContact O-N 3.23Å; D110-R114 PolarHBondContact O-NE 3.36Å; D110-R114 VanDerWaalsContact O-NE 3.08Å; R114-I116 VanDerWaalsContact C-N 3.35Å; R114-I116 PolarHBondContact O-N 2.89Å; R114-N117 PolarHBondContact O-N 3.37Å; R114-D118 VanDerWaalsContact O-CG 3.24Å; R114-D118 PolarHBondContact O-N 3.24Å
115	F	98.3	Very high	97.1	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-44.9	176.2	162.3	-97	0	0	0	112.4	L42 A68 Y102 V104 S111 I112 E113 D118 V119 L163	L42-F115 HydrophobicContact CD1-CE2 4.4Å; L42-F115 HydrophobicContact CD1-CZ 3.61Å; L42-F115 HydrophobicContact CD2-CE1 3.91Å; L42-F115 HydrophobicContact CD2-CZ 3.75Å; L42-F115 HydrophobicContact CG-CZ 4.33Å; A68-F115 HydrophobicContact CB-CE2 3.75Å; A68-F115 HydrophobicContact CB-CZ 3.94Å; Y102-F115 HydrophobicContact CG-CD2 4.49Å; Y102-F115 HydrophobicContact CG-CE2 4.25Å; V104-F115 HydrophobicContact CB-CB 3.97Å; V104-F115 HydrophobicContact CB-CD1 4.27Å; V104-F115 HydrophobicContact CB-CD2 3.75Å; V104-F115 HydrophobicContact CB-CE2 4.36Å; V104-F115 HydrophobicContact CB-CG 3.71Å; V104-F115 HydrophobicContact CG1-CD2 4.33Å; V104-F115 HydrophobicContact CG1-CE2 4.46Å; V104-F115 HydrophobicContact CG2-CB 3.83Å; V104-F115 HydrophobicContact CG2-CD1 3.99Å; V104-F115 HydrophobicContact CG2-CD2 4.33Å; V104-F115 HydrophobicContact CG2-CG 3.77Å; S111-F115 WeakPolarHBondContact O-CB 3.48Å; S111-F115 PolarHBondContact O-N 2.97Å; S111-F115 VanDerWaalsContact O-N 3.09Å; I112-F115 WeakPolarHBondContact O-CB 3.41Å; I112-F115 PolarHBondContact O-N 3.45Å; E113-F115 VanDerWaalsContact C-N 3.31Å; E113-F115 PolarHBondContact O-N 2.84Å; F115-D118 PolarHBondContact O-N 2.92Å; F115-V119 HydrophobicContact CD2-CG2 3.99Å; F115-V119 HydrophobicContact CE1-CG2 4.34Å; F115-V119 HydrophobicContact CE2-CG2 3.47Å; F115-V119 VanDerWaalsContact CE2-CG2 3.47Å; F115-V119 HydrophobicContact CZ-CG2 3.65Å; F115-V119 WeakPolarHBondContact O-CB 3.39Å; F115-V119 WeakPolarHBondContact O-CG2 3.31Å; F115-V119 PolarHBondContact O-N 2.95Å; F115-L163 HydrophobicContact CD1-CD1 4.1Å; F115-L163 HydrophobicContact CE1-CD1 3.78Å
116	I	98	Very high	97.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-48.7	177.9	-72	169.6	0	0	0	110.1	I112 E113 R114 D118 V119 L120 L163 L167	I112-I116 HydrophobicContact CG2-CD1 3.84Å; I112-I116 HydrophobicContact CG2-CG1 4.36Å; I112-I116 VanDerWaalsContact O-CG1 3.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.41Å; I112-I116 PolarHBondContact O-N 3.04Å; E113-I116 PolarHBondContact O-N 2.77Å; R114-I116 VanDerWaalsContact C-N 3.35Å; R114-I116 PolarHBondContact O-N 2.89Å; I116-D118 VanDerWaalsContact C-N 3.35Å; I116-D118 PolarHBondContact O-N 2.88Å; I116-V119 PolarHBondContact O-N 3.07Å; I116-L120 HydrophobicContact CG2-CD1 3.59Å; I116-L120 HydrophobicContact CG2-CG 4.05Å; I116-L120 WeakPolarHBondContact O-CB 3.43Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 3.44Å; I116-L163 HydrophobicContact CD1-CD1 4.11Å; I116-L163 HydrophobicContact CG1-CD1 4.03Å; I116-L167 HydrophobicContact CD1-CG 4.46Å; I116-L167 HydrophobicContact CG1-CD2 4.17Å; I116-L167 HydrophobicContact CG2-CD2 4.3Å
117	N	96.9	Very high	97.1	Very high	81 Å²	81	57.9 Å²	57.9	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-56.7	-47.5	178.5	-71	-26.4	0	0	0	111.9	E113 R114 V119 L120 Q121	E113-N117 PolarHBondContact O-N 3.17Å; E113-N117 PolarHBondContact O-ND2 3.49Å; R114-N117 PolarHBondContact O-N 3.37Å; N117-V119 PolarHBondContact O-N 2.82Å; N117-L120 PolarHBondContact O-N 3.44Å; N117-Q121 WeakPolarHBondContact O-CG 3.38Å; N117-Q121 PolarHBondContact O-N 2.82Å
118	D	97.3	Very high	97.1	Very high	80 Å²	80	55.4 Å²	55.4	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-37.7	-179.7	-66.6	-17	0	0	0	112.4	Y102 R114 F115 I116	Y102-D118 HydrophobicContact CD1-CB 3.99Å; Y102-D118 HydrophobicContact CE1-CB 3.81Å; Y102-D118 WeakPolarHBondContact CE1-O 3.49Å; Y102-D118 PolarHBondContact OH-O 3.3Å; R114-D118 VanDerWaalsContact O-CG 3.24Å; R114-D118 PolarHBondContact O-N 3.24Å; F115-D118 PolarHBondContact O-N 2.92Å; I116-D118 VanDerWaalsContact C-N 3.35Å; I116-D118 PolarHBondContact O-N 2.88Å
119	V	97.7	Very high	97.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-46.9	177.7	167.7	0	0	0	0	110.9	I66 Y102 F115 I116 N117 Q121 K122 Y123 I126	I66-V119 HydrophobicContact CD1-CG1 3.88Å; I66-V119 HydrophobicContact CG2-CG2 4.33Å; Y102-V119 HydrophobicContact CD1-CG2 3.67Å; Y102-V119 HydrophobicContact CD2-CG2 3.87Å; Y102-V119 HydrophobicContact CE1-CG2 3.84Å; Y102-V119 HydrophobicContact CE2-CG2 4.01Å; Y102-V119 HydrophobicContact CG-CG2 3.68Å; F115-V119 HydrophobicContact CD2-CG2 3.99Å; F115-V119 HydrophobicContact CE1-CG2 4.34Å; F115-V119 HydrophobicContact CE2-CG2 3.47Å; F115-V119 VanDerWaalsContact CE2-CG2 3.47Å; F115-V119 HydrophobicContact CZ-CG2 3.65Å; F115-V119 WeakPolarHBondContact O-CB 3.39Å; F115-V119 WeakPolarHBondContact O-CG2 3.31Å; F115-V119 PolarHBondContact O-N 2.95Å; I116-V119 PolarHBondContact O-N 3.07Å; N117-V119 PolarHBondContact O-N 2.82Å; V119-Q121 VanDerWaalsContact C-N 3.29Å; V119-Q121 PolarHBondContact O-N 3Å; V119-K122 PolarHBondContact O-N 3.21Å; V119-K122 VanDerWaalsContact O-N 3.12Å; V119-Y123 HydrophobicContact CG1-CD2 4.44Å; V119-Y123 PolarHBondContact O-N 2.98Å; V119-I126 HydrophobicContact CG1-CD1 4Å
120	L	97	Very high	97.3	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-69.9	-24.1	-174.3	-66	-174.6	0	0	0	113.4	I116 N117 K122 Y123 I126 H170 V172	I116-L120 HydrophobicContact CG2-CD1 3.59Å; I116-L120 HydrophobicContact CG2-CG 4.05Å; I116-L120 WeakPolarHBondContact O-CB 3.43Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 3.44Å; N117-L120 PolarHBondContact O-N 3.44Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.41Å; L120-Y123 WeakPolarHBondContact CD2-O 3.43Å; L120-Y123 CarbonylContact O-C 3.59Å; L120-I126 HydrophobicContact CD2-CD1 4.3Å; L120-H170 HydrophobicContact CD1-CB 3.9Å; L120-V172 HydrophobicContact CD1-CG2 3.83Å; L120-V172 HydrophobicContact CD2-CG2 3.57Å; L120-V172 HydrophobicContact CG-CG2 4.36Å
121	Q	96.1	Very high	97.3	Very high	161 Å²	161	45.5 Å²	45.5	75%	0.752	22%	0.22	S	C	*	.	H	α-helix	trans	-58.7	-37	169.8	-77.3	174.6	21.1	0	0	112.9	N117 V119	N117-Q121 WeakPolarHBondContact O-CG 3.38Å; N117-Q121 PolarHBondContact O-N 2.82Å; V119-Q121 VanDerWaalsContact C-N 3.29Å; V119-Q121 PolarHBondContact O-N 3Å
122	K	95.3	Very high	97.3	Very high	122 Å²	122	45.8 Å²	45.8	53%	0.53	22%	0.22	S	C	.	.	H	α-helix	trans	-98.1	-32.4	-179.2	-173.7	173.9	178.8	-174.8	0	112.7	S100 V119 L120	S100-K122 PolarHBondContact OG-NZ 3.42Å; V119-K122 PolarHBondContact O-N 3.21Å; V119-K122 VanDerWaalsContact O-N 3.12Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.41Å
123	Y	96.2	Very high	97.3	Very high	23 Å²	23	46.3 Å²	46.3	9%	0.09	23%	0.225	C	C	.	.			trans	-126.2	82.5	-176	-60.6	-80.7	0	0	0	109.4	V40 K64 I66 S100 Y102 V119 L120 K125	V40-Y123 HydrophobicContact CG1-CD1 3.82Å; V40-Y123 HydrophobicContact CG1-CE1 4.49Å; V40-Y123 HydrophobicContact CG1-CG 4.18Å; V40-Y123 HydrophobicContact CG2-CD1 3.99Å; K64-Y123 HydrophobicContact CB-CE1 4.46Å; I66-Y123 HydrophobicContact CD1-CD1 4.29Å; I66-Y123 HydrophobicContact CD1-CD2 3.58Å; I66-Y123 HydrophobicContact CD1-CE2 3.99Å; I66-Y123 HydrophobicContact CD1-CG 3.75Å; I66-Y123 HydrophobicContact CG1-CD2 4.05Å; I66-Y123 HydrophobicContact CG1-CE2 3.91Å; I66-Y123 HydrophobicContact CG1-CG 4.45Å; S100-Y123 PolarHBondContact OG-OH 3.45Å; Y102-Y123 HydrophobicContact CE2-CE2 4.3Å; V119-Y123 HydrophobicContact CG1-CD2 4.44Å; V119-Y123 PolarHBondContact O-N 2.98Å; L120-Y123 WeakPolarHBondContact CD2-O 3.43Å; L120-Y123 CarbonylContact O-C 3.59Å; Y123-K125 PolarHBondContact O-N 3.39Å
124	P	92.7	Very high	97.2	Very high	110 Å²	110	43.4 Å²	43.4	71%	0.714	22%	0.22	S	C	*	.	S	Bend	trans	-64	-7	177.8	26.7	-35.7	0	0	0	113.2
125	K	94.3	Very high	97.1	Very high	63 Å²	63	36.8 Å²	36.8	27%	0.274	20%	0.197	S	C	.	.			trans	-134.3	142.2	174.8	177.7	169.4	-175.7	153.9	0	110.5	V40 Y123 D127 E173	V40-K125 WeakPolarHBondContact CB-O 3.32Å; V40-K125 WeakPolarHBondContact CG1-O 3.41Å; Y123-K125 PolarHBondContact O-N 3.39Å; K125-D127 WeakPolarHBondContact CE-OD1 3.32Å; K125-D127 IonicContact NZ-OD1 2.76Å; K125-E173 HydrophobicContact CD-CB 4.35Å; K125-E173 HydrophobicContact CG-CB 4.33Å; K125-E173 IonicContact NZ-OE2 3.12Å; K125-E173 PolarHBondContact NZ-OE2 3.12Å
126	I	98	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.			trans	-126.8	114.4	168.5	-62.1	169.3	0	0	0	106.7	V40 L42 V119 L120 L167 V172 E173 L174	V40-I126 HydrophobicContact CG1-CG1 4.3Å; L42-I126 HydrophobicContact CB-CG2 3.95Å; L42-I126 HydrophobicContact CD2-CD1 4.1Å; V119-I126 HydrophobicContact CG1-CD1 4Å; L120-I126 HydrophobicContact CD2-CD1 4.3Å; I126-L167 HydrophobicContact CD1-CD1 4.37Å; I126-L167 HydrophobicContact CD1-CD2 3.79Å; I126-V172 HydrophobicContact CB-CG1 3.77Å; I126-V172 HydrophobicContact CD1-CG1 4.29Å; I126-V172 HydrophobicContact CG1-CG1 4.11Å; I126-E173 CarbonylContact O-C 3.47Å; I126-L174 HydrophobicContact CB-CD2 4.36Å; I126-L174 HydrophobicContact CG2-CD2 4.02Å; I126-L174 WeakPolarHBondContact O-CA 3.32Å; I126-L174 WeakPolarHBondContact O-CD2 3.22Å
127	D	98.2	Very high	96.9	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.048	20%	0.197	C	C	.	.	S	Bend	trans	-78.1	-37.2	-179.9	-64.6	-93.8	0	0	0	112	K39 V40 K125 K175 S176	K39-D127 WeakPolarHBondContact CA-OD2 3.17Å; K39-D127 HydrophobicContact CB-CB 4.04Å; K39-D127 HydrophobicContact CD-CB 3.7Å; K39-D127 WeakPolarHBondContact CD-OD1 3.44Å; K39-D127 WeakPolarHBondContact CD-OD2 3.41Å; K39-D127 HydrophobicContact CG-CB 4.4Å; K39-D127 IonicContact NZ-OD1 3.51Å; K39-D127 PolarHBondContact NZ-OD1 3.43Å; V40-D127 PolarHBondContact N-OD2 2.87Å; V40-D127 PolarHBondContact O-N 3.3Å; K125-D127 WeakPolarHBondContact CE-OD1 3.32Å; K125-D127 IonicContact NZ-OD1 2.76Å; D127-K175 WeakPolarHBondContact O-CA 3.35Å; D127-K175 WeakPolarHBondContact O-CB 3.3Å; D127-K175 PolarHBondContact O-N 3.05Å; D127-S176 PolarHBondContact O-N 3.1Å
128	V	98.7	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122	-177.7	-175.9	0	0	0	0	110.9	W35 V40 V41 L42 F58 V130 S176 V178 L268	W35-V128 HydrophobicContact CH2-CG2 3.95Å; W35-V128 HydrophobicContact CZ3-CG2 4.41Å; V40-V128 PolarHBondContact O-N 3.29Å; V41-V128 CarbonylContact C-O 3.42Å; V41-V128 WeakPolarHBondContact CA-O 3.45Å; V41-V128 HydrophobicContact CB-CB 4.42Å; V41-V128 HydrophobicContact CG1-CB 4.09Å; V41-V128 HydrophobicContact CG1-CG1 4.24Å; V41-V128 HydrophobicContact CG2-CB 4.05Å; V41-V128 HydrophobicContact CG2-CG2 4.33Å; L42-V128 PolarHBondContact N-O 2.99Å; F58-V128 HydrophobicContact CZ-CG1 4.34Å; V128-V130 HydrophobicContact CG1-CG2 4.02Å; V128-S176 VanDerWaalsContact CA-O 3.29Å; V128-S176 WeakPolarHBondContact CA-O 3.48Å; V128-V178 HydrophobicContact CG1-CG2 4.12Å; V128-L268 HydrophobicContact CG1-CD2 4.17Å; V128-L268 HydrophobicContact CG2-CD2 4.45Å
129	L	98.8	Very high	96.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.8	168.3	173.5	62.5	0	0	0	109.8	L42 L163 T164 L167 L174 S176 I177 V178	L42-L129 HydrophobicContact CB-CD1 4.34Å; L42-L129 HydrophobicContact CD2-CD1 3.81Å; L42-L129 HydrophobicContact CG-CD1 3.98Å; L129-L163 HydrophobicContact CD1-CD2 4.16Å; L129-T164 HydrophobicContact CD2-CG2 4.13Å; L129-L167 HydrophobicContact CD1-CD1 4.14Å; L129-L167 HydrophobicContact CD2-CD1 4.02Å; L129-L174 HydrophobicContact CB-CD2 3.81Å; L129-S176 PolarHBondContact N-O 3.09Å; L129-I177 HydrophobicContact CB-CG2 4.46Å; L129-I177 HydrophobicContact CD2-CG2 4.29Å; L129-I177 HydrophobicContact CG-CG2 4.47Å; L129-I177 CarbonylContact O-C 3.42Å; L129-I177 WeakPolarHBondContact O-CA 3.39Å; L129-V178 PolarHBondContact O-N 2.96Å
130	V	98.9	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	97.9	175	-172.9	0	0	0	0	109.3	V41 L42 V43 T44 L54 F58 V128 N132 V178	V41-V130 HydrophobicContact CG1-CG2 3.93Å; L42-V130 PolarHBondContact O-N 2.9Å; V43-V130 HydrophobicContact CB-CB 4.39Å; V43-V130 HydrophobicContact CG1-CB 4.28Å; V43-V130 HydrophobicContact CG1-CG1 4.26Å; V43-V130 HydrophobicContact CG2-CB 4.14Å; V43-V130 HydrophobicContact CG2-CG2 4.09Å; T44-V130 PolarHBondContact N-O 3.43Å; T44-V130 PolarHBondContact OG1-O 2.89Å; L54-V130 HydrophobicContact CD1-CG1 3.97Å; F58-V130 HydrophobicContact CE2-CG2 3.73Å; F58-V130 HydrophobicContact CZ-CG2 4.17Å; V128-V130 HydrophobicContact CG1-CG2 4.02Å; V130-N132 HydrophobicContact CG1-CB 4.08Å; V130-N132 PolarHBondContact O-N 3.37Å; V130-N132 VanDerWaalsContact O-N 3.14Å; V130-V178 CarbonylContact C-O 3.58Å; V130-V178 WeakPolarHBondContact CA-O 3.48Å; V130-V178 HydrophobicContact CB-CB 4.49Å; V130-V178 HydrophobicContact CG1-CB 4.27Å; V130-V178 HydrophobicContact CG1-CG1 4.32Å; V130-V178 HydrophobicContact CG2-CB 4.22Å
131	N	98.8	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	89.6	172.9	-78.5	-41.7	0	0	0	109.5	H160 T164 V178 I180 F202 F206	N131-H160 PolarHBondContact OD1-ND1 3.36Å; N131-T164 PolarHBondContact ND2-OG1 3.08Å; N131-V178 PolarHBondContact N-O 2.82Å; N131-I180 PolarHBondContact O-N 3.3Å; N131-F202 HydrophobicContact CB-CE2 4.14Å; N131-F202 HydrophobicContact CB-CZ 3.96Å; N131-F206 VanDerWaalsContact ND2-CZ 3.28Å; N131-F206 WeakPolarHBondContact ND2-CZ 3.45Å
132	N	98.6	Very high	96	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.107	20%	0.201	C	C	.	.			trans	-119.5	-28	-173.8	160.1	87.7	0	0	0	114.8	T44 G45 G51 L54 V130 I180	T44-N132 VanDerWaalsContact O-CB 3.3Å; T44-N132 WeakPolarHBondContact O-CB 3.21Å; T44-N132 PolarHBondContact O-ND2 2.83Å; T44-N132 PolarHBondContact OG1-N 2.92Å; G45-N132 PolarHBondContact O-ND2 3.27Å; G51-N132 WeakPolarHBondContact CA-ND2 3.14Å; L54-N132 HydrophobicContact CD1-CB 4.22Å; V130-N132 HydrophobicContact CG1-CB 4.08Å; V130-N132 PolarHBondContact O-N 3.37Å; V130-N132 VanDerWaalsContact O-N 3.14Å; N132-I180 HydrophobicContact CB-CB 4.25Å; N132-I180 HydrophobicContact CB-CG1 3.67Å
133	A	97.3	Very high	95.9	Very high	13 Å²	13	34.8 Å²	34.8	11%	0.107	20%	0.201	C	C	.	.			trans	-53.3	152.9	-177.6	0	0	0	0	0	112.7	T44 L106 H160	T44-A133 PolarHBondContact O-N 2.97Å; T44-A133 PolarHBondContact OG1-N 2.94Å; L106-A133 HydrophobicContact CD1-CB 3.42Å; L106-A133 VanDerWaalsContact CD1-CB 3.42Å; A133-H160 PolarHBondContact O-NE2 3.45Å
134	G	96.4	Very high	95.8	Very high	34 Å²	34	34.3 Å²	34.3	35%	0.351	20%	0.201	S	C	.	.			trans	174.2	163.1	174.4	0	0	0	0	0	114.8	N156	G134-N156 WeakPolarHBondContact CA-OD1 3.4Å
135	V	95.7	Very high	96.1	Very high	17 Å²	17	31.3 Å²	31.3	10%	0.103	18%	0.181	C	C	.	.			trans	-123.2	143.4	178.4	-177.8	0	0	0	0	108.7	L152 V155 N156 Y195 L237	V135-L152 HydrophobicContact CG1-CD1 4.21Å; V135-V155 HydrophobicContact CG2-CB 4.36Å; V135-V155 HydrophobicContact CG2-CG1 4.1Å; V135-V155 HydrophobicContact CG2-CG2 4.41Å; V135-N156 PolarHBondContact N-OD1 2.97Å; V135-N156 PolarHBondContact O-ND2 2.86Å; V135-N156 PolarHBondContact O-OD1 2.81Å; V135-Y195 WeakPolarHBondContact O-CD2 3.49Å; V135-L237 HydrophobicContact CG1-CD1 3.91Å; V135-L237 HydrophobicContact CG1-CG 3.81Å
136	S	95.8	Very high	96.2	Very high	2 Å²	2	34 Å²	34	1%	0.014	20%	0.196	C	C	.	.			trans	-114.5	161.1	177	-172.2	0	0	0	0	110.5	R138 A236 L237	S136-R138 PolarHBondContact OG-NH1 3.26Å; S136-A236 CarbonylContact O-C 3.22Å; S136-A236 WeakPolarHBondContact O-CA 3.39Å; S136-A236 WeakPolarHBondContact O-CB 3.45Å; S136-L237 PolarHBondContact O-N 3.26Å
137	V	95.2	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-119.5	157.8	170.9	70.2	0	0	0	0	111.7	A139 T144 V148 L152 R192 A194 L237	V137-A139 HydrophobicContact CG2-CB 4.13Å; V137-T144 HydrophobicContact CG2-CG2 4.3Å; V137-V148 HydrophobicContact CB-CG1 4.38Å; V137-V148 HydrophobicContact CG2-CG1 3.78Å; V137-L152 HydrophobicContact CB-CD2 3.92Å; V137-L152 HydrophobicContact CG1-CD2 3.95Å; V137-R192 VanDerWaalsContact O-CD 3.28Å; V137-R192 WeakPolarHBondContact O-CD 3.15Å; V137-A194 HydrophobicContact CG1-CB 3.98Å; V137-L237 CarbonylContact C-O 3.58Å; V137-L237 VanDerWaalsContact CA-O 3.28Å; V137-L237 WeakPolarHBondContact CA-O 3.46Å; V137-L237 WeakPolarHBondContact CG2-O 3.3Å
138	R	93.4	Very high	96.1	Very high	27 Å²	27	40.5 Å²	40.5	10%	0.102	23%	0.226	C	C	.	.			trans	-132	81.2	171.8	-63	-64.4	-177	-88.2	4.4	109.1	S136 R192 S233 A236 L237 H244 D248	S136-R138 PolarHBondContact OG-NH1 3.26Å; R138-R192 VanDerWaalsContact CZ-NE 3.31Å; R138-R192 VanDerWaalsContact NH1-NE 3.18Å; R138-S233 PolarHBondContact NH2-OG 3.04Å; R138-A236 HydrophobicContact CG-CB 3.78Å; R138-L237 PolarHBondContact N-O 3.34Å; R138-H244 HydrophobicContact CB-CB 4.3Å; R138-H244 HydrophobicContact CG-CB 4.16Å; R138-D248 IonicContact CZ-OD2 2.97Å; R138-D248 IonicContact NE-OD1 2.72Å; R138-D248 IonicContact NE-OD2 3.99Å; R138-D248 PolarHBondContact NE-OD2 2.97Å; R138-D248 IonicContact NH2-OD2 3.72Å; R138-D248 PolarHBondContact NH2-OD2 2.99Å
139	A	92.8	Very high	96.1	Very high	13 Å²	13	42.6 Å²	42.6	11%	0.107	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-161.9	151.8	178.9	0	0	0	0	0	111.1	V137 T144 D191	V137-A139 HydrophobicContact CG2-CB 4.13Å; A139-T144 WeakPolarHBondContact CB-OG1 3.12Å; A139-D191 PolarHBondContact N-O 2.72Å; A139-D191 CarbonylContact O-C 3.43Å; A139-D191 WeakPolarHBondContact O-CA 3.39Å; A139-D191 VanDerWaalsContact O-O 3.1Å
140	T	92.9	Very high	96.1	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.239	27%	0.266	C	S	.	.			trans	-66.5	163.1	173.4	67.2	0	0	0	0	110.2	M142 N143 T144 D191	T140-M142 PolarHBondContact O-N 2.92Å; T140-N143 PolarHBondContact O-N 3.06Å; T140-N143 VanDerWaalsContact OG1-CB 3.29Å; T140-N143 WeakPolarHBondContact OG1-CB 3.5Å; T140-N143 VanDerWaalsContact OG1-CG 3.25Å; T140-N143 PolarHBondContact OG1-N 3.36Å; T140-N143 VanDerWaalsContact OG1-N 3.16Å; T140-N143 PolarHBondContact OG1-ND2 2.92Å; T140-T144 PolarHBondContact O-N 3.47Å; T140-T144 PolarHBondContact O-OG1 2.96Å; T140-D191 WeakPolarHBondContact CG2-OD1 3.41Å
141	C	93.5	Very high	96	Very high	86 Å²	86	54 Å²	54	58%	0.581	28%	0.282	S	S	*	.	S	Bend	trans	-55.8	-42.5	175.3	-54.4	0	0	0	0	112	N143 S193	C141-N143 VanDerWaalsContact C-N 3.34Å; C141-N143 PolarHBondContact O-N 3.32Å; C141-S193 VanDerWaalsContact SG-CB 3.57Å
142	M	93.5	Very high	95.9	Very high	171 Å²	171	54 Å²	54	84%	0.842	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-23.3	-176.8	-59.9	-53.7	-63.9	0	0	113.5	T140	T140-M142 PolarHBondContact O-N 2.92Å
143	N	93.5	Very high	95.9	Very high	103 Å²	103	55.3 Å²	55.3	55%	0.551	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	7.6	-176.6	-61.3	-9.4	0	0	0	112.9	T140 C141 G239	T140-N143 PolarHBondContact O-N 3.06Å; T140-N143 VanDerWaalsContact OG1-CB 3.29Å; T140-N143 WeakPolarHBondContact OG1-CB 3.5Å; T140-N143 VanDerWaalsContact OG1-CG 3.25Å; T140-N143 PolarHBondContact OG1-N 3.36Å; T140-N143 VanDerWaalsContact OG1-N 3.16Å; T140-N143 PolarHBondContact OG1-ND2 2.92Å; C141-N143 VanDerWaalsContact C-N 3.34Å; C141-N143 PolarHBondContact O-N 3.32Å; N143-G239 CarbonylContact O-C 3.47Å; N143-G239 WeakPolarHBondContact O-CA 3.31Å
144	T	95.8	Very high	96	Very high	13 Å²	13	58.2 Å²	58.2	8%	0.08	30%	0.299	C	S	.	.			trans	-98.1	119.8	176.3	-52.6	0	0	0	0	109.5	V137 A139 T140 V148 H149 A194	V137-T144 HydrophobicContact CG2-CG2 4.3Å; A139-T144 WeakPolarHBondContact CB-OG1 3.12Å; T140-T144 PolarHBondContact O-N 3.47Å; T140-T144 PolarHBondContact O-OG1 2.96Å; T144-V148 HydrophobicContact CG2-CB 3.88Å; T144-V148 HydrophobicContact CG2-CG1 3.72Å; T144-H149 VanDerWaalsContact CG2-CD2 3.48Å; T144-H149 WeakPolarHBondContact CG2-CD2 3.41Å; T144-A194 HydrophobicContact CG2-CB 4.26Å
145	T	97.3	Very high	96	Very high	47 Å²	47	57.2 Å²	57.2	29%	0.288	29%	0.286	S	S	.	.			trans	-69.8	152.9	177.8	66.1	0	0	0	0	111.3	Q147 V148 H149 G239	T145-Q147 PolarHBondContact O-N 2.78Å; T145-V148 PolarHBondContact O-N 3.03Å; T145-V148 WeakPolarHBondContact OG1-CG2 3.23Å; T145-V148 PolarHBondContact OG1-N 3.39Å; T145-H149 PolarHBondContact O-CD2 2.95Å; T145-H149 PolarHBondContact O-N 3.05Å; T145-H149 VanDerWaalsContact O-N 3.16Å; T145-G239 WeakPolarHBondContact CG2-O 3.35Å; T145-G239 PolarHBondContact N-O 2.91Å; T145-G239 PolarHBondContact OG1-O 2.88Å
146	M	97.5	Very high	96.2	Very high	121 Å²	121	56.4 Å²	56.4	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-61.4	-28	176.3	-72.8	-47.6	-46.1	0	0	113.4	H149 R150	M146-H149 HydrophobicContact CE-CB 3.69Å; M146-H149 WeakPolarHBondContact O-CB 3.4Å; M146-H149 PolarHBondContact O-N 2.75Å; M146-R150 WeakPolarHBondContact O-CG 3.28Å; M146-R150 PolarHBondContact O-N 2.97Å
147	Q	97.2	Very high	96.3	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-45.1	172.8	-176.5	-177.3	3.1	0	0	111.5	T145 R150 Q151	T145-Q147 PolarHBondContact O-N 2.78Å; Q147-R150 PolarHBondContact O-N 2.98Å; Q147-Q151 WeakPolarHBondContact O-CB 3.28Å; Q147-Q151 PolarHBondContact O-N 2.84Å
148	V	97.3	Very high	96.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-41.5	176.7	173.9	0	0	0	0	110.9	V137 T144 T145 R150 Q151 L152 L237	V137-V148 HydrophobicContact CB-CG1 4.38Å; V137-V148 HydrophobicContact CG2-CG1 3.78Å; T144-V148 HydrophobicContact CG2-CB 3.88Å; T144-V148 HydrophobicContact CG2-CG1 3.72Å; T145-V148 PolarHBondContact O-N 3.03Å; T145-V148 WeakPolarHBondContact OG1-CG2 3.23Å; T145-V148 PolarHBondContact OG1-N 3.39Å; V148-R150 PolarHBondContact O-N 3.25Å; V148-Q151 PolarHBondContact O-N 3.14Å; V148-L152 HydrophobicContact CG1-CD1 3.84Å; V148-L152 VanDerWaalsContact O-CD1 3.22Å; V148-L152 WeakPolarHBondContact O-CD1 3.42Å; V148-L152 PolarHBondContact O-N 3.09Å; V148-L237 HydrophobicContact CG1-CB 4.47Å; V148-L237 HydrophobicContact CG1-CD1 4.32Å
149	H	97.9	Very high	96.7	Very high	45 Å²	45	62.1 Å²	62.1	21%	0.208	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-49.8	173.1	-83.2	-92.6	0	0	0	112	T144 T145 M146 L152 M153 A194	T144-H149 VanDerWaalsContact CG2-CD2 3.48Å; T144-H149 WeakPolarHBondContact CG2-CD2 3.41Å; T145-H149 PolarHBondContact O-CD2 2.95Å; T145-H149 PolarHBondContact O-N 3.05Å; T145-H149 VanDerWaalsContact O-N 3.16Å; M146-H149 HydrophobicContact CE-CB 3.69Å; M146-H149 WeakPolarHBondContact O-CB 3.4Å; M146-H149 PolarHBondContact O-N 2.75Å; H149-L152 PolarHBondContact O-N 3.3Å; H149-M153 WeakPolarHBondContact O-CG 3.3Å; H149-M153 PolarHBondContact O-N 3.03Å; H149-M153 VanDerWaalsContact O-N 3.11Å; H149-A194 WeakPolarHBondContact ND1-CB 3.34Å
150	R	97.8	Very high	97	Very high	170 Å²	170	61.5 Å²	61.5	64%	0.642	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-48.9	177.4	-70.7	179.5	-173	-78.5	0.7	111.4	M146 Q147 V148 L152 M153 E154	M146-R150 WeakPolarHBondContact O-CG 3.28Å; M146-R150 PolarHBondContact O-N 2.97Å; Q147-R150 PolarHBondContact O-N 2.98Å; V148-R150 PolarHBondContact O-N 3.25Å; R150-L152 VanDerWaalsContact C-N 3.28Å; R150-L152 PolarHBondContact O-N 2.85Å; R150-M153 WeakPolarHBondContact O-CA 3.06Å; R150-M153 WeakPolarHBondContact O-CB 3.42Å; R150-M153 PolarHBondContact O-N 2.85Å; R150-E154 WeakPolarHBondContact O-CG 3.19Å; R150-E154 PolarHBondContact O-N 3.05Å
151	Q	97.3	Very high	97.3	Very high	70 Å²	70	61 Å²	61	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-56.2	-41.1	179.6	-174.8	179.6	-2.4	0	0	112.9	Q147 V148 V155 L237	Q147-Q151 WeakPolarHBondContact O-CB 3.28Å; Q147-Q151 PolarHBondContact O-N 2.84Å; V148-Q151 PolarHBondContact O-N 3.14Å; Q151-V155 PolarHBondContact O-N 2.7Å; Q151-L237 HydrophobicContact CG-CD1 4.38Å; Q151-L237 VanDerWaalsContact OE1-CD1 3.31Å
152	L	97.8	Very high	97.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-39.4	176.2	-91.6	72.8	0	0	0	111.9	V135 V137 V148 H149 R150 N156 A194 L237	V135-L152 HydrophobicContact CG1-CD1 4.21Å; V137-L152 HydrophobicContact CB-CD2 3.92Å; V137-L152 HydrophobicContact CG1-CD2 3.95Å; V148-L152 HydrophobicContact CG1-CD1 3.84Å; V148-L152 VanDerWaalsContact O-CD1 3.22Å; V148-L152 WeakPolarHBondContact O-CD1 3.42Å; V148-L152 PolarHBondContact O-N 3.09Å; H149-L152 PolarHBondContact O-N 3.3Å; R150-L152 VanDerWaalsContact C-N 3.28Å; R150-L152 PolarHBondContact O-N 2.85Å; L152-N156 WeakPolarHBondContact O-CB 3.25Å; L152-N156 PolarHBondContact O-N 3.47Å; L152-A194 HydrophobicContact CD2-CB 3.85Å; L152-L237 HydrophobicContact CD1-CD1 3.82Å
153	M	98.5	Very high	97.8	Very high	47 Å²	47	51.3 Å²	51.3	23%	0.232	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-43.4	176.4	-70.7	-60.3	-63.6	0	0	112.1	H149 R150 V155 Y157 F158 S198 A201	H149-M153 WeakPolarHBondContact O-CG 3.3Å; H149-M153 PolarHBondContact O-N 3.03Å; H149-M153 VanDerWaalsContact O-N 3.11Å; R150-M153 WeakPolarHBondContact O-CA 3.06Å; R150-M153 WeakPolarHBondContact O-CB 3.42Å; R150-M153 PolarHBondContact O-N 2.85Å; M153-V155 PolarHBondContact O-N 2.94Å; M153-Y157 HydrophobicContact CE-CD1 3.54Å; M153-Y157 HydrophobicContact CE-CE1 4.32Å; M153-Y157 HydrophobicContact CE-CG 3.99Å; M153-Y157 WeakPolarHBondContact O-CA 3.37Å; M153-Y157 WeakPolarHBondContact O-CB 3.2Å; M153-Y157 PolarHBondContact O-N 2.83Å; M153-F158 HydrophobicContact CB-CD2 4.29Å; M153-F158 HydrophobicContact CB-CE2 4.18Å; M153-F158 PolarHBondContact O-N 3.4Å; M153-S198 VanDerWaalsContact SD-CA 3.59Å; M153-A201 HydrophobicContact CE-CB 4.04Å
154	E	98.3	Very high	98	Very high	73 Å²	73	46.4 Å²	46.4	34%	0.341	22%	0.215	S	C	.	.	I	π-helix	trans	-55.9	-50.7	177.5	-68.1	-48.7	140.4	0	0	111.3	R150 G159	R150-E154 WeakPolarHBondContact O-CG 3.19Å; R150-E154 PolarHBondContact O-N 3.05Å; E154-G159 PolarHBondContact O-N 3.12Å
155	V	98.1	Very high	98	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.079	23%	0.232	C	C	.	.	I	π-helix	trans	-78.7	-49.9	-176.5	-179.1	0	0	0	0	112.5	L106 V135 Q151 M153 H160	L106-V155 HydrophobicContact CB-CG1 4.41Å; V135-V155 HydrophobicContact CG2-CB 4.36Å; V135-V155 HydrophobicContact CG2-CG1 4.1Å; V135-V155 HydrophobicContact CG2-CG2 4.41Å; Q151-V155 PolarHBondContact O-N 2.7Å; M153-V155 PolarHBondContact O-N 2.94Å; V155-H160 PolarHBondContact O-CD2 2.88Å; V155-H160 VanDerWaalsContact O-CD2 3.32Å
156	N	98.5	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-81.1	-17.1	-169.5	-62.9	-10.5	0	0	0	113.2	G134 V135 L152 S198 F202	G134-N156 WeakPolarHBondContact CA-OD1 3.4Å; V135-N156 PolarHBondContact N-OD1 2.97Å; V135-N156 PolarHBondContact O-ND2 2.86Å; V135-N156 PolarHBondContact O-OD1 2.81Å; L152-N156 WeakPolarHBondContact O-CB 3.25Å; L152-N156 PolarHBondContact O-N 3.47Å; N156-S198 PolarHBondContact ND2-OG 2.85Å; N156-F202 WeakPolarHBondContact O-CD2 3.38Å
157	Y	98.8	Very high	98	Very high	50 Å²	50	42.8 Å²	42.8	20%	0.196	19%	0.194	C	C	.	.	I	π-helix	trans	-125.3	-74.4	-176.7	176.7	-117.6	0	0	0	111.6	M153 G159 H160 V161 A201 Y205	M153-Y157 HydrophobicContact CE-CD1 3.54Å; M153-Y157 HydrophobicContact CE-CE1 4.32Å; M153-Y157 HydrophobicContact CE-CG 3.99Å; M153-Y157 WeakPolarHBondContact O-CA 3.37Å; M153-Y157 WeakPolarHBondContact O-CB 3.2Å; M153-Y157 PolarHBondContact O-N 2.83Å; Y157-G159 VanDerWaalsContact C-N 3.34Å; Y157-G159 PolarHBondContact O-N 3.03Å; Y157-H160 PolarHBondContact O-N 3.34Å; Y157-V161 HydrophobicContact CD2-CG2 3.79Å; Y157-V161 HydrophobicContact CE2-CG2 3.44Å; Y157-V161 VanDerWaalsContact CE2-CG2 3.44Å; Y157-V161 HydrophobicContact CG-CG2 4.47Å; Y157-V161 WeakPolarHBondContact O-CG2 3.35Å; Y157-V161 PolarHBondContact O-N 2.9Å; Y157-A201 HydrophobicContact CD1-CB 4.46Å; Y157-A201 HydrophobicContact CD2-CB 3.97Å; Y157-A201 HydrophobicContact CE2-CB 4.24Å; Y157-A201 HydrophobicContact CG-CB 4.08Å; Y157-Y205 HydrophobicContact CE2-CD2 4.41Å; Y157-Y205 HydrophobicContact CE2-CG 4.19Å
158	F	98.7	Very high	98	Very high	97 Å²	97	38.1 Å²	38.1	43%	0.425	17%	0.173	S	C	.	.	I	π-helix	trans	-57.9	-43.3	-170.3	-69.1	-59.2	0	0	0	112.8	M153 H160 V161 F162	M153-F158 HydrophobicContact CB-CD2 4.29Å; M153-F158 HydrophobicContact CB-CE2 4.18Å; M153-F158 PolarHBondContact O-N 3.4Å; F158-H160 VanDerWaalsContact C-N 3.32Å; F158-H160 PolarHBondContact O-N 2.93Å; F158-V161 PolarHBondContact O-N 3.09Å; F158-F162 VanDerWaalsContact O-CB 3.32Å; F158-F162 WeakPolarHBondContact O-CB 3.39Å; F158-F162 PolarHBondContact O-N 2.9Å
159	G	98.6	Very high	97.8	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-37.1	177.4	0	0	0	0	0	114.1	L106 E154 Y157 L163	L106-G159 WeakPolarHBondContact O-CA 3.28Å; E154-G159 PolarHBondContact O-N 3.12Å; Y157-G159 VanDerWaalsContact C-N 3.34Å; Y157-G159 PolarHBondContact O-N 3.03Å; G159-L163 WeakPolarHBondContact O-CB 3.5Å; G159-L163 PolarHBondContact O-N 3.37Å
160	H	98.7	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-75.9	-38.1	176.5	-74.4	-65.6	0	0	0	112.8	L106 N131 A133 V155 Y157 F158 T164 F202 F206	L106-H160 VanDerWaalsContact CD1-CE1 3.46Å; L106-H160 WeakPolarHBondContact CD1-CE1 3.35Å; N131-H160 PolarHBondContact OD1-ND1 3.36Å; A133-H160 PolarHBondContact O-NE2 3.45Å; V155-H160 PolarHBondContact O-CD2 2.88Å; V155-H160 VanDerWaalsContact O-CD2 3.32Å; Y157-H160 PolarHBondContact O-N 3.34Å; F158-H160 VanDerWaalsContact C-N 3.32Å; F158-H160 PolarHBondContact O-N 2.93Å; H160-T164 WeakPolarHBondContact O-CB 3.18Å; H160-T164 PolarHBondContact O-N 3.43Å; H160-T164 PolarHBondContact O-OG1 3.34Å; H160-F202 HydrophobicContact CB-CD2 4.1Å; H160-F202 HydrophobicContact CB-CE2 3.76Å; H160-F202 AromaticContact CD2-CE2 3.79Å; H160-F202 AromaticContact CG-CE2 3.71Å; H160-F206 HydrophobicContact CB-CE2 4.44Å
161	V	98.6	Very high	97.5	Very high	27 Å²	27	40.7 Å²	40.7	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-55	173	168.9	0	0	0	0	109.2	Y157 F158 L163 T164 H165 Y205	Y157-V161 HydrophobicContact CD2-CG2 3.79Å; Y157-V161 HydrophobicContact CE2-CG2 3.44Å; Y157-V161 VanDerWaalsContact CE2-CG2 3.44Å; Y157-V161 HydrophobicContact CG-CG2 4.47Å; Y157-V161 WeakPolarHBondContact O-CG2 3.35Å; Y157-V161 PolarHBondContact O-N 2.9Å; F158-V161 PolarHBondContact O-N 3.09Å; V161-L163 PolarHBondContact O-N 2.76Å; V161-T164 PolarHBondContact O-N 3.08Å; V161-H165 VanDerWaalsContact O-CB 3.29Å; V161-H165 WeakPolarHBondContact O-CB 3.5Å; V161-H165 PolarHBondContact O-N 2.8Å; V161-Y205 HydrophobicContact CB-CE1 4.4Å; V161-Y205 HydrophobicContact CB-CE2 4.37Å; V161-Y205 HydrophobicContact CG1-CD2 4.42Å; V161-Y205 HydrophobicContact CG1-CE1 4.4Å; V161-Y205 HydrophobicContact CG1-CE2 3.71Å; V161-Y205 HydrophobicContact CG2-CD1 3.82Å; V161-Y205 HydrophobicContact CG2-CD2 3.84Å; V161-Y205 HydrophobicContact CG2-CE1 3.9Å; V161-Y205 HydrophobicContact CG2-CE2 3.89Å; V161-Y205 HydrophobicContact CG2-CG 3.8Å
162	F	98.5	Very high	97.4	Very high	55 Å²	55	37.8 Å²	37.8	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-47.3	-178.1	-171.4	-104	0	0	0	111.8	T109 I112 E113 F158 T164 H165 S166	T109-F162 HydrophobicContact CG2-CD1 4.07Å; T109-F162 HydrophobicContact CG2-CD2 4.29Å; T109-F162 HydrophobicContact CG2-CE1 4.07Å; T109-F162 HydrophobicContact CG2-CE2 4.3Å; T109-F162 HydrophobicContact CG2-CG 4.18Å; T109-F162 HydrophobicContact CG2-CZ 4.19Å; I112-F162 HydrophobicContact CB-CD1 3.85Å; I112-F162 HydrophobicContact CB-CE1 4.04Å; I112-F162 HydrophobicContact CD1-CB 4.44Å; I112-F162 HydrophobicContact CD1-CD1 3.81Å; I112-F162 HydrophobicContact CG1-CD1 4.46Å; I112-F162 HydrophobicContact CG2-CD1 3.67Å; I112-F162 HydrophobicContact CG2-CE1 4Å; E113-F162 HydrophobicContact CG-CE1 3.85Å; E113-F162 HydrophobicContact CG-CZ 3.9Å; F158-F162 VanDerWaalsContact O-CB 3.32Å; F158-F162 WeakPolarHBondContact O-CB 3.39Å; F158-F162 PolarHBondContact O-N 2.9Å; F162-T164 VanDerWaalsContact C-N 3.33Å; F162-T164 PolarHBondContact O-N 3.24Å; F162-H165 PolarHBondContact O-N 3.12Å; F162-S166 VanDerWaalsContact O-CB 3.26Å; F162-S166 WeakPolarHBondContact O-CB 3.5Å; F162-S166 PolarHBondContact O-N 3.09Å; F162-S166 PolarHBondContact O-OG 3.2Å
163	L	98.7	Very high	97.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-46.6	175.4	172.7	62.5	0	0	0	112.2	T44 L106 I112 F115 I116 L129 G159 V161 L167	T44-L163 HydrophobicContact CG2-CD2 3.54Å; L106-L163 HydrophobicContact CD2-CD2 4.25Å; I112-L163 HydrophobicContact CG2-CB 4.03Å; I112-L163 HydrophobicContact CG2-CD1 4.05Å; F115-L163 HydrophobicContact CD1-CD1 4.1Å; F115-L163 HydrophobicContact CE1-CD1 3.78Å; I116-L163 HydrophobicContact CD1-CD1 4.11Å; I116-L163 HydrophobicContact CG1-CD1 4.03Å; L129-L163 HydrophobicContact CD1-CD2 4.16Å; G159-L163 WeakPolarHBondContact O-CB 3.5Å; G159-L163 PolarHBondContact O-N 3.37Å; V161-L163 PolarHBondContact O-N 2.76Å; L163-L167 HydrophobicContact CD1-CD1 3.93Å; L163-L167 HydrophobicContact CD1-CG 4.18Å; L163-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.24Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-L167 VanDerWaalsContact O-N 3.09Å
164	T	98.4	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-46.8	-177.3	-53.7	0	0	0	0	110.8	L129 N131 H160 V161 F162 L167 L168 I177 F206 L209	L129-T164 HydrophobicContact CD2-CG2 4.13Å; N131-T164 PolarHBondContact ND2-OG1 3.08Å; H160-T164 WeakPolarHBondContact O-CB 3.18Å; H160-T164 PolarHBondContact O-N 3.43Å; H160-T164 PolarHBondContact O-OG1 3.34Å; V161-T164 PolarHBondContact O-N 3.08Å; F162-T164 VanDerWaalsContact C-N 3.33Å; F162-T164 PolarHBondContact O-N 3.24Å; T164-L167 PolarHBondContact O-N 3.03Å; T164-L168 HydrophobicContact CG2-CD1 4.19Å; T164-L168 WeakPolarHBondContact O-CG 3.39Å; T164-L168 PolarHBondContact O-N 3.33Å; T164-L168 VanDerWaalsContact O-N 3.11Å; T164-I177 HydrophobicContact CG2-CD1 3.87Å; T164-F206 HydrophobicContact CG2-CE1 4.17Å; T164-L209 HydrophobicContact CG2-CD2 3.83Å
165	H	96.5	Very high	97	Very high	92 Å²	92	41.5 Å²	41.5	43%	0.426	21%	0.214	S	C	.	.	H	α-helix	trans	-60.1	-50.2	178.6	-167.5	-80.4	0	0	0	110.9	V161 F162 L167 L168 D169	V161-H165 VanDerWaalsContact O-CB 3.29Å; V161-H165 WeakPolarHBondContact O-CB 3.5Å; V161-H165 PolarHBondContact O-N 2.8Å; F162-H165 PolarHBondContact O-N 3.12Å; H165-L167 VanDerWaalsContact C-N 3.32Å; H165-L167 PolarHBondContact O-N 2.94Å; H165-L168 PolarHBondContact O-N 3.48Å; H165-D169 VanDerWaalsContact CE1-CG 3.46Å; H165-D169 IonicContact CE1-OD1 3.92Å; H165-D169 PolarHBondContact CE1-OD1 2.86Å; H165-D169 VanDerWaalsContact CE1-OD1 3.28Å; H165-D169 IonicContact CE1-OD2 2.74Å; H165-D169 PolarHBondContact CE1-OD2 2.98Å; H165-D169 IonicContact CG-OD2 3.28Å; H165-D169 IonicContact ND1-OD1 2.94Å; H165-D169 IonicContact ND1-OD2 2.88Å; H165-D169 PolarHBondContact ND1-OD2 3.47Å; H165-D169 PolarHBondContact O-N 2.94Å
166	S	97.2	Very high	97	Very high	10 Å²	10	41 Å²	41	7%	0.07	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-38	180	-61.5	0	0	0	0	112.3	F162 D169 H170	F162-S166 VanDerWaalsContact O-CB 3.26Å; F162-S166 WeakPolarHBondContact O-CB 3.5Å; F162-S166 PolarHBondContact O-N 3.09Å; F162-S166 PolarHBondContact O-OG 3.2Å; S166-D169 PolarHBondContact O-N 3.4Å; S166-H170 PolarHBondContact O-N 3.23Å; S166-H170 PolarHBondContact O-ND1 3.36Å
167	L	97.6	Very high	97	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-42.8	173.5	-73.7	172.7	0	0	0	112	L42 I116 I126 L129 L163 T164 H165 H170 V172	L42-L167 HydrophobicContact CD2-CD1 4.25Å; I116-L167 HydrophobicContact CD1-CG 4.46Å; I116-L167 HydrophobicContact CG1-CD2 4.17Å; I116-L167 HydrophobicContact CG2-CD2 4.3Å; I126-L167 HydrophobicContact CD1-CD1 4.37Å; I126-L167 HydrophobicContact CD1-CD2 3.79Å; L129-L167 HydrophobicContact CD1-CD1 4.14Å; L129-L167 HydrophobicContact CD2-CD1 4.02Å; L163-L167 HydrophobicContact CD1-CD1 3.93Å; L163-L167 HydrophobicContact CD1-CG 4.18Å; L163-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.24Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-L167 VanDerWaalsContact O-N 3.09Å; T164-L167 PolarHBondContact O-N 3.03Å; H165-L167 VanDerWaalsContact C-N 3.32Å; H165-L167 PolarHBondContact O-N 2.94Å; L167-H170 PolarHBondContact O-N 3.44Å; L167-V172 HydrophobicContact CB-CB 4.43Å; L167-V172 HydrophobicContact CB-CG2 4.46Å; L167-V172 HydrophobicContact CD2-CG2 4.06Å; L167-V172 WeakPolarHBondContact O-CB 3.4Å; L167-V172 WeakPolarHBondContact O-CG2 3.04Å; L167-V172 PolarHBondContact O-N 3.35Å; L167-V172 VanDerWaalsContact O-N 3.08Å
168	L	95.6	Very high	97	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.236	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-42.8	177.1	-67.1	170.6	0	0	0	111.7	T164 H165 H170 G171 L174 L209 L213 I218	T164-L168 HydrophobicContact CG2-CD1 4.19Å; T164-L168 WeakPolarHBondContact O-CG 3.39Å; T164-L168 PolarHBondContact O-N 3.33Å; T164-L168 VanDerWaalsContact O-N 3.11Å; H165-L168 PolarHBondContact O-N 3.48Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 3.12Å; L168-G171 WeakPolarHBondContact O-CA 3.47Å; L168-G171 PolarHBondContact O-N 2.89Å; L168-L174 HydrophobicContact CD2-CD1 3.64Å; L168-L174 HydrophobicContact CG-CD1 4.15Å; L168-L209 HydrophobicContact CD1-CD1 4.41Å; L168-L213 HydrophobicContact CD1-CD1 4.16Å; L168-I218 HydrophobicContact CD2-CD1 4.39Å
169	D	94.4	Very high	97	Very high	107 Å²	107	34 Å²	34	57%	0.572	18%	0.181	S	C	*	.	H	α-helix	trans	-62.9	-35.2	177.8	-72.6	-15.6	0	0	0	112.9	H165 S166 G171	H165-D169 VanDerWaalsContact CE1-CG 3.46Å; H165-D169 IonicContact CE1-OD1 3.92Å; H165-D169 PolarHBondContact CE1-OD1 2.86Å; H165-D169 VanDerWaalsContact CE1-OD1 3.28Å; H165-D169 IonicContact CE1-OD2 2.74Å; H165-D169 PolarHBondContact CE1-OD2 2.98Å; H165-D169 IonicContact CG-OD2 3.28Å; H165-D169 IonicContact ND1-OD1 2.94Å; H165-D169 IonicContact ND1-OD2 2.88Å; H165-D169 PolarHBondContact ND1-OD2 3.47Å; H165-D169 PolarHBondContact O-N 2.94Å; S166-D169 PolarHBondContact O-N 3.4Å; D169-G171 PolarHBondContact O-N 3.46Å; D169-G171 VanDerWaalsContact O-N 3.16Å
170	H	95	Very high	97.1	Very high	106 Å²	106	34.2 Å²	34.2	49%	0.491	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	3.1	173.2	-74.7	77.4	0	0	0	112.8	L120 S166 L167 L168 V172	L120-H170 HydrophobicContact CD1-CB 3.9Å; S166-H170 PolarHBondContact O-N 3.23Å; S166-H170 PolarHBondContact O-ND1 3.36Å; L167-H170 PolarHBondContact O-N 3.44Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 3.12Å; H170-V172 VanDerWaalsContact C-N 3.32Å; H170-V172 HydrophobicContact CB-CG2 4.21Å; H170-V172 PolarHBondContact O-N 3.31Å
171	G	93.8	Very high	97	Very high	58 Å²	58	34.3 Å²	34.3	60%	0.598	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	22.6	179.5	0	0	0	0	0	113.7	L168 D169 E173	L168-G171 WeakPolarHBondContact O-CA 3.47Å; L168-G171 PolarHBondContact O-N 2.89Å; D169-G171 PolarHBondContact O-N 3.46Å; D169-G171 VanDerWaalsContact O-N 3.16Å; G171-E173 PolarHBondContact O-N 3.18Å
172	V	95.1	Very high	97	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.048	18%	0.176	C	C	.	.			trans	-68.7	121.6	-179.2	-179.7	0	0	0	0	110	L120 I126 L167 H170 L174	L120-V172 HydrophobicContact CD1-CG2 3.83Å; L120-V172 HydrophobicContact CD2-CG2 3.57Å; L120-V172 HydrophobicContact CG-CG2 4.36Å; I126-V172 HydrophobicContact CB-CG1 3.77Å; I126-V172 HydrophobicContact CD1-CG1 4.29Å; I126-V172 HydrophobicContact CG1-CG1 4.11Å; L167-V172 HydrophobicContact CB-CB 4.43Å; L167-V172 HydrophobicContact CB-CG2 4.46Å; L167-V172 HydrophobicContact CD2-CG2 4.06Å; L167-V172 WeakPolarHBondContact O-CB 3.4Å; L167-V172 WeakPolarHBondContact O-CG2 3.04Å; L167-V172 PolarHBondContact O-N 3.35Å; L167-V172 VanDerWaalsContact O-N 3.08Å; H170-V172 VanDerWaalsContact C-N 3.32Å; H170-V172 HydrophobicContact CB-CG2 4.21Å; H170-V172 PolarHBondContact O-N 3.31Å; V172-L174 PolarHBondContact O-N 3.08Å
173	E	93.7	Very high	96.9	Very high	112 Å²	112	31 Å²	31	52%	0.523	17%	0.167	S	C	.	.			trans	-71.5	83.7	179.1	-68.3	-171.7	-177.4	0	0	113.4	K125 I126 G171	K125-E173 HydrophobicContact CD-CB 4.35Å; K125-E173 HydrophobicContact CG-CB 4.33Å; K125-E173 IonicContact NZ-OE2 3.12Å; K125-E173 PolarHBondContact NZ-OE2 3.12Å; I126-E173 CarbonylContact O-C 3.47Å; G171-E173 PolarHBondContact O-N 3.18Å
174	L	96.8	Very high	96.9	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	17%	0.171	C	C	.	.			trans	-72.9	143	169.3	-68.9	166.1	0	0	0	110.9	I126 L129 L168 V172 I177 I218	I126-L174 HydrophobicContact CB-CD2 4.36Å; I126-L174 HydrophobicContact CG2-CD2 4.02Å; I126-L174 WeakPolarHBondContact O-CA 3.32Å; I126-L174 WeakPolarHBondContact O-CD2 3.22Å; L129-L174 HydrophobicContact CB-CD2 3.81Å; L168-L174 HydrophobicContact CD2-CD1 3.64Å; L168-L174 HydrophobicContact CG-CD1 4.15Å; V172-L174 PolarHBondContact O-N 3.08Å; L174-I177 HydrophobicContact CD1-CD1 4.05Å; L174-I177 HydrophobicContact CD1-CG1 4.12Å; L174-I218 HydrophobicContact CB-CD1 4.42Å; L174-I218 HydrophobicContact CB-CG2 4.28Å
175	K	96.8	Very high	96.8	Very high	82 Å²	82	32.3 Å²	32.3	36%	0.357	17%	0.174	S	C	.	.	S	Bend	trans	-110.6	-30.7	167.4	-60.8	-59.2	177	-163.2	0	111.7	W35 D127 Q219	W35-K175 HydrophobicContact CZ2-CB 3.86Å; D127-K175 WeakPolarHBondContact O-CA 3.35Å; D127-K175 WeakPolarHBondContact O-CB 3.3Å; D127-K175 PolarHBondContact O-N 3.05Å; K175-Q219 PolarHBondContact O-N 3.03Å
176	S	98	Very high	96.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	148	174.7	-46.3	0	0	0	0	112.9	W35 D127 V128 L129 Q219 L268	W35-S176 WeakPolarHBondContact CH2-OG 3.38Å; D127-S176 PolarHBondContact O-N 3.1Å; V128-S176 VanDerWaalsContact CA-O 3.29Å; V128-S176 WeakPolarHBondContact CA-O 3.48Å; L129-S176 PolarHBondContact N-O 3.09Å; S176-Q219 CarbonylContact C-O 3.46Å; S176-Q219 WeakPolarHBondContact CA-O 3.49Å; S176-L268 VanDerWaalsContact CB-CD1 3.47Å
177	I	98.5	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.3	171.2	-52	175.7	0	0	0	107.2	L129 T164 L174 F206 L209 L213 I218 Q219 V220 L221	L129-I177 HydrophobicContact CB-CG2 4.46Å; L129-I177 HydrophobicContact CD2-CG2 4.29Å; L129-I177 HydrophobicContact CG-CG2 4.47Å; L129-I177 CarbonylContact O-C 3.42Å; L129-I177 WeakPolarHBondContact O-CA 3.39Å; T164-I177 HydrophobicContact CG2-CD1 3.87Å; L174-I177 HydrophobicContact CD1-CD1 4.05Å; L174-I177 HydrophobicContact CD1-CG1 4.12Å; I177-F206 HydrophobicContact CG2-CD1 4.43Å; I177-F206 HydrophobicContact CG2-CE1 4.05Å; I177-L209 HydrophobicContact CD1-CD2 3.88Å; I177-L213 HydrophobicContact CD1-CD1 4.09Å; I177-I218 HydrophobicContact CD1-CG2 4.31Å; I177-I218 HydrophobicContact CG1-CG2 4.19Å; I177-Q219 PolarHBondContact N-O 3.12Å; I177-V220 HydrophobicContact CB-CG2 4.3Å; I177-V220 HydrophobicContact CD1-CG2 4.36Å; I177-V220 CarbonylContact O-C 3.56Å; I177-V220 WeakPolarHBondContact O-CA 3.43Å; I177-L221 PolarHBondContact O-N 3.22Å
178	V	98.8	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.9	177.3	-179.1	0	0	0	0	108.9	V128 L129 V130 N131 I180 L221 V223 V264 L268	V128-V178 HydrophobicContact CG1-CG2 4.12Å; L129-V178 PolarHBondContact O-N 2.96Å; V130-V178 CarbonylContact C-O 3.58Å; V130-V178 WeakPolarHBondContact CA-O 3.48Å; V130-V178 HydrophobicContact CB-CB 4.49Å; V130-V178 HydrophobicContact CG1-CB 4.27Å; V130-V178 HydrophobicContact CG1-CG1 4.32Å; V130-V178 HydrophobicContact CG2-CB 4.22Å; N131-V178 PolarHBondContact N-O 2.82Å; V178-I180 HydrophobicContact CG1-CD1 3.99Å; V178-L221 WeakPolarHBondContact CA-O 3.42Å; V178-L221 HydrophobicContact CG1-CD2 4.46Å; V178-V223 HydrophobicContact CG1-CG2 4.05Å; V178-V264 HydrophobicContact CG1-CG1 3.66Å; V178-L268 HydrophobicContact CG2-CD1 3.59Å; V178-L268 HydrophobicContact CG2-CD2 4.09Å; V178-L268 HydrophobicContact CG2-CG 4.34Å
179	C	98.7	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	104.6	-172	-67.2	0	0	0	0	110.4	S181 F202 F206 L221 V222 V223	C179-S181 PolarHBondContact O-N 3.01Å; C179-F202 HydrophobicContact CB-CE1 3.67Å; C179-F202 HydrophobicContact CB-CZ 3.71Å; C179-F206 HydrophobicContact CB-CB 4.37Å; C179-F206 HydrophobicContact CB-CD2 4.12Å; C179-F206 HydrophobicContact CB-CG 4.1Å; C179-F206 WeakPolarHBondContact SG-CD1 3.41Å; C179-F206 VanDerWaalsContact SG-CE1 3.51Å; C179-F206 WeakPolarHBondContact SG-CG 3.45Å; C179-L221 PolarHBondContact N-O 3.43Å; C179-V222 HydrophobicContact CB-CG2 3.92Å; C179-V223 PolarHBondContact O-N 2.9Å
180	I	98.7	Very high	96.5	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	92.2	178.2	-49.5	-55.6	0	0	0	109.5	L50 L54 N131 N132 V178 K199 V223 P225 V264	L50-I180 HydrophobicContact CD2-CG2 3.78Å; L54-I180 HydrophobicContact CD1-CD1 4Å; L54-I180 HydrophobicContact CD1-CG1 4.02Å; N131-I180 PolarHBondContact O-N 3.3Å; N132-I180 HydrophobicContact CB-CB 4.25Å; N132-I180 HydrophobicContact CB-CG1 3.67Å; V178-I180 HydrophobicContact CG1-CD1 3.99Å; I180-K199 PolarHBondContact O-NZ 2.85Å; I180-V223 HydrophobicContact CD1-CB 3.84Å; I180-V223 HydrophobicContact CD1-CG1 4.36Å; I180-V223 HydrophobicContact CD1-CG2 3.84Å; I180-P225 HydrophobicContact CG2-CG 4.32Å; I180-V264 HydrophobicContact CD1-CG2 4.5Å
181	S	98.1	Very high	96.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	14%	0.138	C	C	.	.			trans	-84.1	-140	173.1	-169	0	0	0	0	110.1	C179 S185 V223	C179-S181 PolarHBondContact O-N 3.01Å; S181-S185 VanDerWaalsContact OG-CB 3.28Å; S181-S185 WeakPolarHBondContact OG-CB 3.38Å; S181-S185 PolarHBondContact OG-OG 2.79Å; S181-V223 CarbonylContact C-O 3.55Å; S181-V223 WeakPolarHBondContact CA-O 3.42Å; S181-V223 WeakPolarHBondContact CB-O 3.33Å; S181-V223 PolarHBondContact N-O 3.09Å
182	S	97.8	Very high	96.4	Very high	4 Å²	4	22 Å²	22	3%	0.028	11%	0.114	C	C	.	.			trans	-162	155.3	174.6	-175.8	0	0	0	0	108.9	Q184 S185 P225	S182-Q184 PolarHBondContact O-N 3.26Å; S182-Q184 PolarHBondContact OG-N 3.37Å; S182-S185 WeakPolarHBondContact O-CB 3.43Å; S182-S185 PolarHBondContact O-N 3.01Å; S182-S185 PolarHBondContact O-OG 3.24Å; S182-P225 WeakPolarHBondContact CA-O 3.12Å; S182-P225 PolarHBondContact OG-O 2.93Å
183	V	97.5	Very high	96.4	Very high	9 Å²	9	23 Å²	23	6%	0.055	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-53.5	-22.3	163.6	-62.1	0	0	0	0	112.8	S185 L186 I187 C224 P225 A226 I276 A278 I282	V183-S185 PolarHBondContact O-N 2.88Å; V183-L186 PolarHBondContact O-N 2.94Å; V183-I187 WeakPolarHBondContact O-CG1 3.44Å; V183-I187 PolarHBondContact O-N 3.45Å; V183-I187 VanDerWaalsContact O-N 3.08Å; V183-C224 WeakPolarHBondContact CG1-O 3.45Å; V183-P225 PolarHBondContact N-O 2.91Å; V183-A226 HydrophobicContact CG1-CB 4.09Å; V183-A226 HydrophobicContact CG2-CB 3.99Å; V183-I276 HydrophobicContact CG1-CG2 4.37Å; V183-A278 HydrophobicContact CG1-CB 3.87Å; V183-I282 HydrophobicContact CB-CG2 4.24Å; V183-I282 HydrophobicContact CG1-CG2 4.21Å; V183-I282 HydrophobicContact CG2-CG2 4.1Å
184	Q	96.8	Very high	96.6	Very high	18 Å²	18	17.7 Å²	17.7	8%	0.084	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-71.2	-1.4	174.2	-73.8	-178.7	81.2	0	0	114.8	S182 I187 I189 R192 Y195 S196 H200	S182-Q184 PolarHBondContact O-N 3.26Å; S182-Q184 PolarHBondContact OG-N 3.37Å; Q184-I187 CarbonylContact C-O 3.58Å; Q184-I187 WeakPolarHBondContact CA-O 3.28Å; Q184-I189 HydrophobicContact CG-CD1 4.4Å; Q184-I189 HydrophobicContact CG-CG1 4.28Å; Q184-R192 VanDerWaalsContact OE1-CG 3.31Å; Q184-Y195 HydrophobicContact CB-CD1 4.28Å; Q184-Y195 HydrophobicContact CB-CE1 4.08Å; Q184-S196 PolarHBondContact OE1-OG 2.92Å; Q184-H200 PolarHBondContact O-CE1 3.29Å; Q184-H200 PolarHBondContact O-ND1 2.85Å
185	S	97.2	Very high	96.7	Very high	8 Å²	8	18.2 Å²	18.2	6%	0.056	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-91.2	-12.9	166.3	68.5	0	0	0	0	113.3	S181 S182 V183 K199 H200 H203	S181-S185 VanDerWaalsContact OG-CB 3.28Å; S181-S185 WeakPolarHBondContact OG-CB 3.38Å; S181-S185 PolarHBondContact OG-OG 2.79Å; S182-S185 WeakPolarHBondContact O-CB 3.43Å; S182-S185 PolarHBondContact O-N 3.01Å; S182-S185 PolarHBondContact O-OG 3.24Å; V183-S185 PolarHBondContact O-N 2.88Å; S185-K199 VanDerWaalsContact CB-C 3.5Å; S185-K199 WeakPolarHBondContact CB-O 3.21Å; S185-H200 VanDerWaalsContact C-CE1 3.45Å; S185-H200 WeakPolarHBondContact CA-ND1 3.42Å; S185-H200 PolarHBondContact O-CD2 3.21Å; S185-H200 PolarHBondContact O-CE1 3.01Å; S185-H200 PolarHBondContact O-NE2 3.29Å; S185-H200 VanDerWaalsContact O-NE2 3.09Å; S185-H203 PolarHBondContact OG-ND1 3.25Å
186	L	97.1	Very high	96.7	Very high	35 Å²	35	14.4 Å²	14.4	18%	0.183	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-30.8	179.5	-62.3	177.2	0	0	0	111.7	V183 C224 I276 I286 R289	V183-L186 PolarHBondContact O-N 2.94Å; L186-C224 HydrophobicContact CD1-CB 4.27Å; L186-I276 HydrophobicContact CD1-CD1 3.97Å; L186-I276 HydrophobicContact CD1-CG1 4.33Å; L186-I286 HydrophobicContact CB-CG1 4.37Å; L186-I286 HydrophobicContact CB-CG2 4.44Å; L186-I286 HydrophobicContact CD1-CD1 3.84Å; L186-R289 PolarHBondContact O-NH1 3.39Å
187	I	96.5	Very high	96.7	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.046	10%	0.102	C	C	.	.	S	Bend	trans	-138.8	145.8	175.4	56.7	173.9	0	0	0	108.9	V183 Q184 I282 A285 I286 R289 F296	V183-I187 WeakPolarHBondContact O-CG1 3.44Å; V183-I187 PolarHBondContact O-N 3.45Å; V183-I187 VanDerWaalsContact O-N 3.08Å; Q184-I187 CarbonylContact C-O 3.58Å; Q184-I187 WeakPolarHBondContact CA-O 3.28Å; I187-I282 HydrophobicContact CD1-CG2 4.45Å; I187-A285 HydrophobicContact CD1-CB 3.8Å; I187-I286 HydrophobicContact CG2-CG1 4.22Å; I187-R289 HydrophobicContact CG2-CB 4.21Å; I187-F296 HydrophobicContact CB-CE2 4.34Å; I187-F296 HydrophobicContact CB-CZ 4.08Å; I187-F296 HydrophobicContact CG2-CE2 4.19Å; I187-F296 HydrophobicContact CG2-CZ 4.26Å
188	S	94.5	Very high	96.7	Very high	54 Å²	54	16.8 Å²	16.8	38%	0.378	10%	0.102	S	C	.	.			trans	-103.8	142.9	174.1	-54.2	0	0	0	0	110.8	H200	S188-H200 PolarHBondContact OG-CE1 3.47Å; S188-H200 VanDerWaalsContact OG-CE1 3.29Å
189	I	94	Very high	96.7	Very high	26 Å²	26	17 Å²	17	13%	0.133	10%	0.103	C	C	.	.			trans	-120.3	155.9	175.8	63.8	173.4	0	0	0	110.4	Q184 R192 M300	Q184-I189 HydrophobicContact CG-CD1 4.4Å; Q184-I189 HydrophobicContact CG-CG1 4.28Å; I189-R192 HydrophobicContact CD1-CG 4.11Å; I189-R192 HydrophobicContact CG1-CB 4.21Å; I189-R192 HydrophobicContact CG1-CG 3.93Å; I189-M300 HydrophobicContact CG2-SD 4.1Å
190	P	93.9	Very high	96.7	Very high	28 Å²	28	19.4 Å²	19.4	18%	0.182	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	157	174.4	-25.5	34.6	0	0	0	113.1	R192 A304	P190-R192 PolarHBondContact O-N 2.87Å; P190-A304 HydrophobicContact CB-CB 4.02Å; P190-A304 HydrophobicContact CG-CB 3.76Å
191	D	92.1	Very high	96.7	Very high	25 Å²	25	20.5 Å²	20.5	13%	0.134	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	16	173.4	-42.1	-46.8	0	0	0	115.2	A139 T140 T307	A139-D191 PolarHBondContact N-O 2.72Å; A139-D191 CarbonylContact O-C 3.43Å; A139-D191 WeakPolarHBondContact O-CA 3.39Å; A139-D191 VanDerWaalsContact O-O 3.1Å; T140-D191 WeakPolarHBondContact CG2-OD1 3.41Å; D191-T307 VanDerWaalsContact OD2-CG2 3.26Å; D191-T307 WeakPolarHBondContact OD2-CG2 3.5Å; D191-T307 PolarHBondContact OD2-OG1 3.07Å
192	R	93.9	Very high	96.7	Very high	27 Å²	27	20.4 Å²	20.4	10%	0.102	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-141.5	26.1	-174.6	-56.3	-68.2	-178.1	-80.8	-3.9	112.4	V137 R138 Q184 I189 P190 Y195 S196 D248	V137-R192 VanDerWaalsContact O-CD 3.28Å; V137-R192 WeakPolarHBondContact O-CD 3.15Å; R138-R192 VanDerWaalsContact CZ-NE 3.31Å; R138-R192 VanDerWaalsContact NH1-NE 3.18Å; Q184-R192 VanDerWaalsContact OE1-CG 3.31Å; I189-R192 HydrophobicContact CD1-CG 4.11Å; I189-R192 HydrophobicContact CG1-CB 4.21Å; I189-R192 HydrophobicContact CG1-CG 3.93Å; P190-R192 PolarHBondContact O-N 2.87Å; R192-Y195 PolarHBondContact O-N 2.95Å; R192-S196 WeakPolarHBondContact O-CB 3.43Å; R192-S196 PolarHBondContact O-N 2.77Å; R192-S196 PolarHBondContact O-OG 3.25Å; R192-D248 IonicContact CZ-OD2 3.4Å; R192-D248 IonicContact NH2-OD1 3.84Å; R192-D248 IonicContact NH2-OD2 2.97Å; R192-D248 PolarHBondContact NH2-OD2 3.43Å
193	S	95.3	Very high	96.7	Very high	28 Å²	28	20.7 Å²	20.7	20%	0.196	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-55	-171.6	53.8	0	0	0	0	112.8	C141 Y195 S196 A197	C141-S193 VanDerWaalsContact SG-CB 3.57Å; S193-Y195 VanDerWaalsContact C-N 3.32Å; S193-Y195 PolarHBondContact O-N 3.35Å; S193-S196 PolarHBondContact O-N 3.32Å; S193-A197 VanDerWaalsContact O-CB 3.32Å; S193-A197 WeakPolarHBondContact O-CB 3.36Å; S193-A197 PolarHBondContact O-N 3.02Å
194	A	97.5	Very high	96.8	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-39.5	-179.3	0	0	0	0	0	112.2	V137 T144 H149 L152 S198	V137-A194 HydrophobicContact CG1-CB 3.98Å; T144-A194 HydrophobicContact CG2-CB 4.26Å; H149-A194 WeakPolarHBondContact ND1-CB 3.34Å; L152-A194 HydrophobicContact CD2-CB 3.85Å; A194-S198 WeakPolarHBondContact O-CB 3.32Å; A194-S198 PolarHBondContact O-N 3.33Å; A194-S198 PolarHBondContact O-OG 3.22Å
195	Y	97.9	Very high	96.9	Very high	16 Å²	16	24.1 Å²	24.1	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-50.1	176	179.1	-101.2	0	0	0	112.2	V135 Q184 R192 S193 A197 S198 K199	V135-Y195 WeakPolarHBondContact O-CD2 3.49Å; Q184-Y195 HydrophobicContact CB-CD1 4.28Å; Q184-Y195 HydrophobicContact CB-CE1 4.08Å; R192-Y195 PolarHBondContact O-N 2.95Å; S193-Y195 VanDerWaalsContact C-N 3.32Å; S193-Y195 PolarHBondContact O-N 3.35Å; Y195-A197 VanDerWaalsContact C-N 3.32Å; Y195-A197 PolarHBondContact O-N 2.77Å; Y195-S198 PolarHBondContact O-N 3.42Å; Y195-S198 PolarHBondContact O-OG 3.46Å; Y195-K199 HydrophobicContact CD2-CG 4.37Å; Y195-K199 HydrophobicContact CE1-CG 4.03Å; Y195-K199 HydrophobicContact CE2-CG 3.88Å; Y195-K199 PolarHBondContact O-N 3.46Å
196	S	97.7	Very high	96.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-44.5	179.4	-57	0	0	0	0	110.6	Q184 R192 S193 K199 H200	Q184-S196 PolarHBondContact OE1-OG 2.92Å; R192-S196 WeakPolarHBondContact O-CB 3.43Å; R192-S196 PolarHBondContact O-N 2.77Å; R192-S196 PolarHBondContact O-OG 3.25Å; S193-S196 PolarHBondContact O-N 3.32Å; S196-K199 PolarHBondContact O-N 3.39Å; S196-H200 WeakPolarHBondContact O-CB 3.3Å; S196-H200 PolarHBondContact O-N 2.97Å; S196-H200 PolarHBondContact O-ND1 3.38Å
197	A	98.2	Very high	97	Very high	51 Å²	51	25.2 Å²	25.2	42%	0.421	15%	0.153	S	C	.	.	H	α-helix	trans	-58.3	-50	175.7	0	0	0	0	0	111.6	S193 Y195 K199 H200 A201	S193-A197 VanDerWaalsContact O-CB 3.32Å; S193-A197 WeakPolarHBondContact O-CB 3.36Å; S193-A197 PolarHBondContact O-N 3.02Å; Y195-A197 VanDerWaalsContact C-N 3.32Å; Y195-A197 PolarHBondContact O-N 2.77Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-K199 PolarHBondContact O-N 2.93Å; A197-H200 PolarHBondContact O-N 3.14Å; A197-A201 PolarHBondContact O-N 2.9Å
198	S	98.5	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-37.5	178.9	73.5	0	0	0	0	113.3	M153 N156 A194 Y195 F202	M153-S198 VanDerWaalsContact SD-CA 3.59Å; N156-S198 PolarHBondContact ND2-OG 2.85Å; A194-S198 WeakPolarHBondContact O-CB 3.32Å; A194-S198 PolarHBondContact O-N 3.33Å; A194-S198 PolarHBondContact O-OG 3.22Å; Y195-S198 PolarHBondContact O-N 3.42Å; Y195-S198 PolarHBondContact O-OG 3.46Å; S198-F202 WeakPolarHBondContact O-CB 3.45Å; S198-F202 PolarHBondContact O-N 3.38Å
199	K	98.4	Very high	97.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-78.4	-28.7	178.1	-71.5	-62.5	-173.6	-178.2	0	113.2	I180 S185 Y195 S196 A197 H203	I180-K199 PolarHBondContact O-NZ 2.85Å; S185-K199 VanDerWaalsContact CB-C 3.5Å; S185-K199 WeakPolarHBondContact CB-O 3.21Å; Y195-K199 HydrophobicContact CD2-CG 4.37Å; Y195-K199 HydrophobicContact CE1-CG 4.03Å; Y195-K199 HydrophobicContact CE2-CG 3.88Å; Y195-K199 PolarHBondContact O-N 3.46Å; S196-K199 PolarHBondContact O-N 3.39Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-K199 PolarHBondContact O-N 2.93Å; K199-H203 VanDerWaalsContact O-CB 3.31Å; K199-H203 WeakPolarHBondContact O-CB 3.35Å; K199-H203 PolarHBondContact O-N 3.23Å
200	H	98.4	Very high	97.3	Very high	50 Å²	50	27 Å²	27	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-46.9	167.8	-79.9	74.7	0	0	0	110.5	Q184 S185 S188 S196 A197 H203 A204	Q184-H200 PolarHBondContact O-CE1 3.29Å; Q184-H200 PolarHBondContact O-ND1 2.85Å; S185-H200 VanDerWaalsContact C-CE1 3.45Å; S185-H200 WeakPolarHBondContact CA-ND1 3.42Å; S185-H200 PolarHBondContact O-CD2 3.21Å; S185-H200 PolarHBondContact O-CE1 3.01Å; S185-H200 PolarHBondContact O-NE2 3.29Å; S185-H200 VanDerWaalsContact O-NE2 3.09Å; S188-H200 PolarHBondContact OG-CE1 3.47Å; S188-H200 VanDerWaalsContact OG-CE1 3.29Å; S196-H200 WeakPolarHBondContact O-CB 3.3Å; S196-H200 PolarHBondContact O-N 2.97Å; S196-H200 PolarHBondContact O-ND1 3.38Å; A197-H200 PolarHBondContact O-N 3.14Å; H200-H203 PolarHBondContact O-N 2.8Å; H200-A204 WeakPolarHBondContact O-CB 3.34Å; H200-A204 PolarHBondContact O-N 2.89Å
201	A	98.7	Very high	97.4	Very high	30 Å²	30	29.5 Å²	29.5	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-46.7	177.4	0	0	0	0	0	112.1	M153 Y157 A197 A204 Y205	M153-A201 HydrophobicContact CE-CB 4.04Å; Y157-A201 HydrophobicContact CD1-CB 4.46Å; Y157-A201 HydrophobicContact CD2-CB 3.97Å; Y157-A201 HydrophobicContact CE2-CB 4.24Å; Y157-A201 HydrophobicContact CG-CB 4.08Å; A197-A201 PolarHBondContact O-N 2.9Å; A201-A204 PolarHBondContact O-N 2.98Å; A201-Y205 WeakPolarHBondContact O-CB 3.13Å; A201-Y205 PolarHBondContact O-N 3.24Å
202	F	98.7	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.2	-49.1	173.6	177.6	-89.3	0	0	0	112.1	N131 N156 H160 C179 S198 Y205 F206	N131-F202 HydrophobicContact CB-CE2 4.14Å; N131-F202 HydrophobicContact CB-CZ 3.96Å; N156-F202 WeakPolarHBondContact O-CD2 3.38Å; H160-F202 HydrophobicContact CB-CD2 4.1Å; H160-F202 HydrophobicContact CB-CE2 3.76Å; H160-F202 AromaticContact CD2-CE2 3.79Å; H160-F202 AromaticContact CG-CE2 3.71Å; C179-F202 HydrophobicContact CB-CE1 3.67Å; C179-F202 HydrophobicContact CB-CZ 3.71Å; S198-F202 WeakPolarHBondContact O-CB 3.45Å; S198-F202 PolarHBondContact O-N 3.38Å; F202-Y205 PolarHBondContact O-N 3.41Å; F202-F206 HydrophobicContact CD1-CD2 4.14Å; F202-F206 AromaticContact CD2-CD2 3.99Å; F202-F206 HydrophobicContact CD2-CD2 3.99Å; F202-F206 AromaticContact CD2-CE2 3.61Å; F202-F206 HydrophobicContact CD2-CE2 3.61Å; F202-F206 AromaticContact CE1-CD2 3.96Å; F202-F206 HydrophobicContact CE1-CD2 3.96Å; F202-F206 HydrophobicContact CE1-CE2 4.26Å; F202-F206 AromaticContact CE2-CD2 3.82Å; F202-F206 HydrophobicContact CE2-CD2 3.82Å; F202-F206 AromaticContact CE2-CE2 3.27Å; F202-F206 HydrophobicContact CE2-CE2 3.27Å; F202-F206 HydrophobicContact CE2-CZ 4.25Å; F202-F206 HydrophobicContact CG-CD2 4.16Å; F202-F206 HydrophobicContact CG-CE2 4.25Å; F202-F206 AromaticContact CZ-CD2 3.79Å; F202-F206 HydrophobicContact CZ-CD2 3.79Å; F202-F206 AromaticContact CZ-CE2 3.63Å; F202-F206 HydrophobicContact CZ-CE2 3.63Å; F202-F206 VanDerWaalsContact O-CD2 3.23Å; F202-F206 WeakPolarHBondContact O-CD2 3.25Å; F202-F206 PolarHBondContact O-N 3.39Å
203	H	98.5	Very high	97.6	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.046	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-55	178.8	-165.8	153.4	0	0	0	110.7	S185 K199 H200 Y205 F206 D207 E274	S185-H203 PolarHBondContact OG-ND1 3.25Å; K199-H203 VanDerWaalsContact O-CB 3.31Å; K199-H203 WeakPolarHBondContact O-CB 3.35Å; K199-H203 PolarHBondContact O-N 3.23Å; H200-H203 PolarHBondContact O-N 2.8Å; H203-Y205 VanDerWaalsContact C-N 3.27Å; H203-Y205 PolarHBondContact O-N 2.95Å; H203-F206 PolarHBondContact O-N 3.44Å; H203-D207 VanDerWaalsContact CD2-CG 3.41Å; H203-D207 IonicContact CD2-OD1 3.59Å; H203-D207 PolarHBondContact CD2-OD1 3.11Å; H203-D207 IonicContact CD2-OD2 3.85Å; H203-D207 PolarHBondContact CD2-OD2 2.88Å; H203-D207 IonicContact NE2-OD1 2.91Å; H203-D207 PolarHBondContact NE2-OD1 3.08Å; H203-D207 IonicContact NE2-OD2 2.74Å; H203-D207 PolarHBondContact NE2-OD2 2.98Å; H203-D207 PolarHBondContact O-N 3.47Å; H203-E274 IonicContact CE1-OE2 2.62Å; H203-E274 PolarHBondContact CE1-OE2 3.18Å; H203-E274 IonicContact NE2-OE2 3.21Å
204	A	98.5	Very high	97.3	Very high	52 Å²	52	34.6 Å²	34.6	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-41.4	-176.9	0	0	0	0	0	112.4	H200 A201 F206 D207 C208	H200-A204 WeakPolarHBondContact O-CB 3.34Å; H200-A204 PolarHBondContact O-N 2.89Å; A201-A204 PolarHBondContact O-N 2.98Å; A204-F206 PolarHBondContact O-N 2.94Å; A204-D207 WeakPolarHBondContact O-CB 3.48Å; A204-D207 PolarHBondContact O-N 3.42Å; A204-C208 PolarHBondContact O-N 3.06Å; A204-C208 PolarHBondContact O-SG 2.86Å
205	Y	98.6	Very high	97	Very high	47 Å²	47	41.3 Å²	41.3	18%	0.184	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44.9	176.6	177.1	-89.6	0	0	0	112.9	Y157 V161 A201 F202 H203 D207 C208 L209	Y157-Y205 HydrophobicContact CE2-CD2 4.41Å; Y157-Y205 HydrophobicContact CE2-CG 4.19Å; V161-Y205 HydrophobicContact CB-CE1 4.4Å; V161-Y205 HydrophobicContact CB-CE2 4.37Å; V161-Y205 HydrophobicContact CG1-CD2 4.42Å; V161-Y205 HydrophobicContact CG1-CE1 4.4Å; V161-Y205 HydrophobicContact CG1-CE2 3.71Å; V161-Y205 HydrophobicContact CG2-CD1 3.82Å; V161-Y205 HydrophobicContact CG2-CD2 3.84Å; V161-Y205 HydrophobicContact CG2-CE1 3.9Å; V161-Y205 HydrophobicContact CG2-CE2 3.89Å; V161-Y205 HydrophobicContact CG2-CG 3.8Å; A201-Y205 WeakPolarHBondContact O-CB 3.13Å; A201-Y205 PolarHBondContact O-N 3.24Å; F202-Y205 PolarHBondContact O-N 3.41Å; H203-Y205 VanDerWaalsContact C-N 3.27Å; H203-Y205 PolarHBondContact O-N 2.95Å; Y205-D207 VanDerWaalsContact C-N 3.28Å; Y205-D207 PolarHBondContact O-N 3.48Å; Y205-C208 WeakPolarHBondContact O-CB 3.37Å; Y205-C208 PolarHBondContact O-N 3.19Å; Y205-L209 HydrophobicContact CE1-CD2 4.32Å; Y205-L209 PolarHBondContact O-N 3.3Å
206	F	98.3	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-75.7	-15.9	178.6	-73.3	-71.3	0	0	0	113.3	N131 H160 T164 I177 C179 F202 H203 A204 L209 R210 V220 V222	N131-F206 VanDerWaalsContact ND2-CZ 3.28Å; N131-F206 WeakPolarHBondContact ND2-CZ 3.45Å; H160-F206 HydrophobicContact CB-CE2 4.44Å; T164-F206 HydrophobicContact CG2-CE1 4.17Å; I177-F206 HydrophobicContact CG2-CD1 4.43Å; I177-F206 HydrophobicContact CG2-CE1 4.05Å; C179-F206 HydrophobicContact CB-CB 4.37Å; C179-F206 HydrophobicContact CB-CD2 4.12Å; C179-F206 HydrophobicContact CB-CG 4.1Å; C179-F206 WeakPolarHBondContact SG-CD1 3.41Å; C179-F206 VanDerWaalsContact SG-CE1 3.51Å; C179-F206 WeakPolarHBondContact SG-CG 3.45Å; F202-F206 HydrophobicContact CD1-CD2 4.14Å; F202-F206 AromaticContact CD2-CD2 3.99Å; F202-F206 HydrophobicContact CD2-CD2 3.99Å; F202-F206 AromaticContact CD2-CE2 3.61Å; F202-F206 HydrophobicContact CD2-CE2 3.61Å; F202-F206 AromaticContact CE1-CD2 3.96Å; F202-F206 HydrophobicContact CE1-CD2 3.96Å; F202-F206 HydrophobicContact CE1-CE2 4.26Å; F202-F206 AromaticContact CE2-CD2 3.82Å; F202-F206 HydrophobicContact CE2-CD2 3.82Å; F202-F206 AromaticContact CE2-CE2 3.27Å; F202-F206 HydrophobicContact CE2-CE2 3.27Å; F202-F206 HydrophobicContact CE2-CZ 4.25Å; F202-F206 HydrophobicContact CG-CD2 4.16Å; F202-F206 HydrophobicContact CG-CE2 4.25Å; F202-F206 AromaticContact CZ-CD2 3.79Å; F202-F206 HydrophobicContact CZ-CD2 3.79Å; F202-F206 AromaticContact CZ-CE2 3.63Å; F202-F206 HydrophobicContact CZ-CE2 3.63Å; F202-F206 VanDerWaalsContact O-CD2 3.23Å; F202-F206 WeakPolarHBondContact O-CD2 3.25Å; F202-F206 PolarHBondContact O-N 3.39Å; H203-F206 PolarHBondContact O-N 3.44Å; A204-F206 PolarHBondContact O-N 2.94Å; F206-L209 HydrophobicContact CD1-CB 4.46Å; F206-L209 HydrophobicContact CD1-CD2 3.79Å; F206-L209 HydrophobicContact CE1-CD2 3.84Å; F206-R210 WeakPolarHBondContact O-CB 3.38Å; F206-R210 PolarHBondContact O-N 2.68Å; F206-R210 VanDerWaalsContact O-N 3.11Å; F206-R210 PolarHBondContact O-NE 3Å; F206-V220 HydrophobicContact CB-CG1 4.19Å; F206-V220 HydrophobicContact CD1-CG1 4.3Å; F206-V222 HydrophobicContact CB-CG2 3.99Å
207	D	97.9	Very high	96.7	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.353	30%	0.303	S	S	.	.	H	α-helix	trans	-72.8	-37.6	165.5	-70.8	-9.2	0	0	0	112.4	H203 A204 Y205 R210	H203-D207 VanDerWaalsContact CD2-CG 3.41Å; H203-D207 IonicContact CD2-OD1 3.59Å; H203-D207 PolarHBondContact CD2-OD1 3.11Å; H203-D207 IonicContact CD2-OD2 3.85Å; H203-D207 PolarHBondContact CD2-OD2 2.88Å; H203-D207 IonicContact NE2-OD1 2.91Å; H203-D207 PolarHBondContact NE2-OD1 3.08Å; H203-D207 IonicContact NE2-OD2 2.74Å; H203-D207 PolarHBondContact NE2-OD2 2.98Å; H203-D207 PolarHBondContact O-N 3.47Å; A204-D207 WeakPolarHBondContact O-CB 3.48Å; A204-D207 PolarHBondContact O-N 3.42Å; Y205-D207 VanDerWaalsContact C-N 3.28Å; Y205-D207 PolarHBondContact O-N 3.48Å; D207-R210 VanDerWaalsContact O-CG 3.32Å; D207-R210 WeakPolarHBondContact O-CG 3.36Å; D207-R210 IonicContact OD1-CZ 2.7Å; D207-R210 IonicContact OD1-NE 3.94Å; D207-R210 PolarHBondContact OD1-NE 3.18Å; D207-R210 IonicContact OD1-NH2 3.53Å; D207-R210 PolarHBondContact OD1-NH2 3.23Å
208	C	98	Very high	96.6	Very high	71 Å²	71	47.3 Å²	47.3	48%	0.48	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-51.2	170.5	-63.4	0	0	0	0	110.1	A204 Y205 R210 A211 E212	A204-C208 PolarHBondContact O-N 3.06Å; A204-C208 PolarHBondContact O-SG 2.86Å; Y205-C208 WeakPolarHBondContact O-CB 3.37Å; Y205-C208 PolarHBondContact O-N 3.19Å; C208-R210 VanDerWaalsContact C-N 3.29Å; C208-R210 PolarHBondContact O-N 3.28Å; C208-A211 WeakPolarHBondContact O-CB 3.2Å; C208-A211 PolarHBondContact O-N 3.38Å; C208-E212 WeakPolarHBondContact O-CG 3.49Å; C208-E212 PolarHBondContact O-N 2.96Å; C208-E212 VanDerWaalsContact O-N 3.07Å
209	L	97.1	Very high	96.5	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-37.2	-175.6	-168.3	68.6	0	0	0	112.8	T164 L168 I177 Y205 F206 A211 E212 L213	T164-L209 HydrophobicContact CG2-CD2 3.83Å; L168-L209 HydrophobicContact CD1-CD1 4.41Å; I177-L209 HydrophobicContact CD1-CD2 3.88Å; Y205-L209 HydrophobicContact CE1-CD2 4.32Å; Y205-L209 PolarHBondContact O-N 3.3Å; F206-L209 HydrophobicContact CD1-CB 4.46Å; F206-L209 HydrophobicContact CD1-CD2 3.79Å; F206-L209 HydrophobicContact CE1-CD2 3.84Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.47Å; L209-E212 PolarHBondContact O-N 3.21Å; L209-L213 HydrophobicContact CD1-CD1 3.81Å; L209-L213 HydrophobicContact CD1-CG 3.95Å; L209-L213 HydrophobicContact CD2-CD1 4.1Å; L209-L213 HydrophobicContact CG-CD1 3.66Å; L209-L213 HydrophobicContact CG-CG 4.07Å; L209-L213 WeakPolarHBondContact O-CB 3.06Å; L209-L213 WeakPolarHBondContact O-CG 3.38Å; L209-L213 PolarHBondContact O-N 3.46Å
210	R	96.3	Very high	96.5	Very high	45 Å²	45	48.5 Å²	48.5	17%	0.17	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-34	177.9	81.3	176.6	72.8	-172.7	9.5	113	F206 D207 C208 G214 V220 E273	F206-R210 WeakPolarHBondContact O-CB 3.38Å; F206-R210 PolarHBondContact O-N 2.68Å; F206-R210 VanDerWaalsContact O-N 3.11Å; F206-R210 PolarHBondContact O-NE 3Å; D207-R210 VanDerWaalsContact O-CG 3.32Å; D207-R210 WeakPolarHBondContact O-CG 3.36Å; D207-R210 IonicContact OD1-CZ 2.7Å; D207-R210 IonicContact OD1-NE 3.94Å; D207-R210 PolarHBondContact OD1-NE 3.18Å; D207-R210 IonicContact OD1-NH2 3.53Å; D207-R210 PolarHBondContact OD1-NH2 3.23Å; C208-R210 VanDerWaalsContact C-N 3.29Å; C208-R210 PolarHBondContact O-N 3.28Å; R210-G214 PolarHBondContact O-N 3.04Å; R210-V220 HydrophobicContact CB-CB 3.49Å; R210-V220 VanDerWaalsContact CB-CB 3.49Å; R210-V220 HydrophobicContact CB-CG1 4.08Å; R210-V220 HydrophobicContact CB-CG2 3.85Å; R210-E273 PolarHBondContact NH1-O 2.76Å
211	A	96.3	Very high	96.5	Very high	80 Å²	80	46.1 Å²	46.1	66%	0.661	28%	0.283	S	S	*	.	H	α-helix	trans	-73	-39.7	177.3	0	0	0	0	0	110.4	C208 L209	C208-A211 WeakPolarHBondContact O-CB 3.2Å; C208-A211 PolarHBondContact O-N 3.38Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.47Å
212	E	95.8	Very high	96.5	Very high	129 Å²	129	44.7 Å²	44.7	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-73.7	-28.7	-178.5	-68.5	170.3	-161	0	0	114	C208 L209	C208-E212 WeakPolarHBondContact O-CG 3.49Å; C208-E212 PolarHBondContact O-N 2.96Å; C208-E212 VanDerWaalsContact O-N 3.07Å; L209-E212 PolarHBondContact O-N 3.21Å
213	L	94.6	Very high	96.5	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.063	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.4	178.6	-59.9	-178.3	0	0	0	114	L168 I177 L209 D215 Q216 G217 I218	L168-L213 HydrophobicContact CD1-CD1 4.16Å; I177-L213 HydrophobicContact CD1-CD1 4.09Å; L209-L213 HydrophobicContact CD1-CD1 3.81Å; L209-L213 HydrophobicContact CD1-CG 3.95Å; L209-L213 HydrophobicContact CD2-CD1 4.1Å; L209-L213 HydrophobicContact CG-CD1 3.66Å; L209-L213 HydrophobicContact CG-CG 4.07Å; L209-L213 WeakPolarHBondContact O-CB 3.06Å; L209-L213 WeakPolarHBondContact O-CG 3.38Å; L209-L213 PolarHBondContact O-N 3.46Å; L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 2.85Å; L213-Q216 PolarHBondContact O-N 3.08Å; L213-Q216 VanDerWaalsContact O-N 3.14Å; L213-G217 PolarHBondContact O-N 3.29Å; L213-I218 HydrophobicContact CB-CB 4.08Å; L213-I218 HydrophobicContact CD1-CB 4.35Å; L213-I218 HydrophobicContact CD1-CD1 4.17Å; L213-I218 HydrophobicContact CD1-CG2 4.2Å; L213-I218 HydrophobicContact CD2-CD1 4.46Å; L213-I218 PolarHBondContact O-N 3.46Å
214	G	89.2	Confident	96.5	Very high	46 Å²	46	44.2 Å²	44.2	47%	0.474	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.3	-36.5	-173.4	0	0	0	0	0	113.5	R210 Q216 G217	R210-G214 PolarHBondContact O-N 3.04Å; G214-Q216 VanDerWaalsContact C-N 3.32Å; G214-G217 PolarHBondContact O-N 3.08Å
215	D	92.2	Very high	96.5	Very high	142 Å²	142	42.1 Å²	42.1	76%	0.759	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-71.8	-24.2	177.2	64.7	-19.3	0	0	0	113.3	L213 G217	L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 2.85Å; D215-G217 VanDerWaalsContact C-N 3.27Å; D215-G217 PolarHBondContact O-N 3.15Å
216	Q	94	Very high	96.4	Very high	120 Å²	120	40.6 Å²	40.6	56%	0.561	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-81.4	-4.9	174.6	-61.9	173.2	47.4	0	0	113	L213 G214 I218	L213-Q216 PolarHBondContact O-N 3.08Å; L213-Q216 VanDerWaalsContact O-N 3.14Å; G214-Q216 VanDerWaalsContact C-N 3.32Å; Q216-I218 VanDerWaalsContact C-N 3.29Å; Q216-I218 HydrophobicContact CB-CD1 4.37Å; Q216-I218 HydrophobicContact CB-CG1 4.2Å; Q216-I218 PolarHBondContact O-N 3.38Å
217	G	93.5	Very high	96.2	Very high	58 Å²	58	42.8 Å²	42.8	60%	0.598	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	21.3	-179.3	0	0	0	0	0	114	L213 G214 D215	L213-G217 PolarHBondContact O-N 3.29Å; G214-G217 PolarHBondContact O-N 3.08Å; D215-G217 VanDerWaalsContact C-N 3.27Å; D215-G217 PolarHBondContact O-N 3.15Å
218	I	96.3	Very high	96.1	Very high	18 Å²	18	40.4 Å²	40.4	9%	0.092	25%	0.245	C	C	.	.			trans	-89	116.5	174.6	-54.4	179.1	0	0	0	108.4	L168 L174 I177 L213 Q216	L168-I218 HydrophobicContact CD2-CD1 4.39Å; L174-I218 HydrophobicContact CB-CD1 4.42Å; L174-I218 HydrophobicContact CB-CG2 4.28Å; I177-I218 HydrophobicContact CD1-CG2 4.31Å; I177-I218 HydrophobicContact CG1-CG2 4.19Å; L213-I218 HydrophobicContact CB-CB 4.08Å; L213-I218 HydrophobicContact CD1-CB 4.35Å; L213-I218 HydrophobicContact CD1-CD1 4.17Å; L213-I218 HydrophobicContact CD1-CG2 4.2Å; L213-I218 HydrophobicContact CD2-CD1 4.46Å; L213-I218 PolarHBondContact O-N 3.46Å; Q216-I218 VanDerWaalsContact C-N 3.29Å; Q216-I218 HydrophobicContact CB-CD1 4.37Å; Q216-I218 HydrophobicContact CB-CG1 4.2Å; Q216-I218 PolarHBondContact O-N 3.38Å
219	Q	97.7	Very high	95.9	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.112	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.7	176.5	-177.7	-169.2	2.7	0	0	110.5	K175 S176 I177 L268 N271 E272	K175-Q219 PolarHBondContact O-N 3.03Å; S176-Q219 CarbonylContact C-O 3.46Å; S176-Q219 WeakPolarHBondContact CA-O 3.49Å; I177-Q219 PolarHBondContact N-O 3.12Å; Q219-L268 PolarHBondContact NE2-O 3.05Å; Q219-L268 PolarHBondContact OE1-O 3.24Å; Q219-N271 WeakPolarHBondContact CG-OD1 3.2Å; Q219-N271 VanDerWaalsContact NE2-CA 3.33Å; Q219-N271 PolarHBondContact OE1-OD1 2.78Å; Q219-E272 PolarHBondContact NE2-O 3.09Å
220	V	98.4	Very high	95.7	Very high	6 Å²	6	44 Å²	44	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.9	166.3	-177.5	0	0	0	0	109.1	I177 F206 R210	I177-V220 HydrophobicContact CB-CG2 4.3Å; I177-V220 HydrophobicContact CD1-CG2 4.36Å; I177-V220 CarbonylContact O-C 3.56Å; I177-V220 WeakPolarHBondContact O-CA 3.43Å; F206-V220 HydrophobicContact CB-CG1 4.19Å; F206-V220 HydrophobicContact CD1-CG1 4.3Å; R210-V220 HydrophobicContact CB-CB 3.49Å; R210-V220 VanDerWaalsContact CB-CB 3.49Å; R210-V220 HydrophobicContact CB-CG1 4.08Å; R210-V220 HydrophobicContact CB-CG2 3.85Å
221	L	98.6	Very high	95.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.4	176.8	168.1	62	0	0	0	109.3	I177 V178 C179 V223 A267 L268 E272 L275	I177-L221 PolarHBondContact O-N 3.22Å; V178-L221 WeakPolarHBondContact CA-O 3.42Å; V178-L221 HydrophobicContact CG1-CD2 4.46Å; C179-L221 PolarHBondContact N-O 3.43Å; L221-V223 HydrophobicContact CD1-CG2 4.48Å; L221-V223 HydrophobicContact CD2-CG2 4.22Å; L221-V223 HydrophobicContact CG-CG2 3.97Å; L221-A267 HydrophobicContact CD1-CB 4.29Å; L221-A267 HydrophobicContact CD2-CB 3.93Å; L221-L268 HydrophobicContact CD2-CB 4.02Å; L221-L268 HydrophobicContact CD2-CD1 4.48Å; L221-E272 HydrophobicContact CD1-CB 4.36Å; L221-E272 WeakPolarHBondContact CD1-O 3.48Å; L221-L275 HydrophobicContact CD1-CB 4.11Å
222	V	98.6	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.3	170.9	176.4	0	0	0	0	110.4	C179 F206 E273 E274 L275	C179-V222 HydrophobicContact CB-CG2 3.92Å; F206-V222 HydrophobicContact CB-CG2 3.99Å; V222-E273 PolarHBondContact N-O 3.39Å; V222-E274 CarbonylContact O-C 3.54Å; V222-E274 VanDerWaalsContact O-CA 3.32Å; V222-E274 WeakPolarHBondContact O-CA 3.34Å; V222-L275 PolarHBondContact O-N 3.22Å
223	V	98.8	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.1	-179.3	-170.8	0	0	0	0	109	V178 C179 I180 S181 L221 P225 V264 L275 L277	V178-V223 HydrophobicContact CG1-CG2 4.05Å; C179-V223 PolarHBondContact O-N 2.9Å; I180-V223 HydrophobicContact CD1-CB 3.84Å; I180-V223 HydrophobicContact CD1-CG1 4.36Å; I180-V223 HydrophobicContact CD1-CG2 3.84Å; S181-V223 CarbonylContact C-O 3.55Å; S181-V223 WeakPolarHBondContact CA-O 3.42Å; S181-V223 WeakPolarHBondContact CB-O 3.33Å; S181-V223 PolarHBondContact N-O 3.09Å; L221-V223 HydrophobicContact CD1-CG2 4.48Å; L221-V223 HydrophobicContact CD2-CG2 4.22Å; L221-V223 HydrophobicContact CG-CG2 3.97Å; V223-P225 WeakPolarHBondContact O-CD 3.36Å; V223-V264 HydrophobicContact CB-CG2 4.35Å; V223-V264 HydrophobicContact CG1-CG2 3.62Å; V223-V264 HydrophobicContact CG2-CG1 4.05Å; V223-V264 HydrophobicContact CG2-CG2 3.89Å; V223-L275 HydrophobicContact CG1-CB 4.36Å; V223-L275 HydrophobicContact CG1-CD2 4.19Å; V223-L275 HydrophobicContact CG1-CG 4.45Å; V223-L277 HydrophobicContact CG1-CD1 4.25Å
224	C	98.4	Very high	94.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	74	-178.2	-70.6	0	0	0	0	110.5	V183 L186 L275 I276 L277	V183-C224 WeakPolarHBondContact CG1-O 3.45Å; L186-C224 HydrophobicContact CD1-CB 4.27Å; C224-L275 PolarHBondContact N-O 3.22Å; C224-I276 HydrophobicContact CB-CG1 4.17Å; C224-L277 PolarHBondContact O-N 3.33Å; C224-L277 VanDerWaalsContact O-N 3.08Å
225	P	97.9	Very high	94.6	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.052	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	147	174.9	32	-33.8	0	0	0	111.2	I180 S182 V183 V223 V228 L277	I180-P225 HydrophobicContact CG2-CG 4.32Å; S182-P225 WeakPolarHBondContact CA-O 3.12Å; S182-P225 PolarHBondContact OG-O 2.93Å; V183-P225 PolarHBondContact N-O 2.91Å; V223-P225 WeakPolarHBondContact O-CD 3.36Å; P225-V228 HydrophobicContact CB-CG2 3.75Å; P225-V228 HydrophobicContact CG-CG2 4.4Å; P225-L277 HydrophobicContact CB-CB 4.4Å
226	A	96.3	Very high	94.6	Very high	16 Å²	16	36 Å²	36	13%	0.132	19%	0.188	C	C	.	.	S	Bend	trans	-77.8	-118.8	165.3	0	0	0	0	0	110	V183 L277 A278 I282	V183-A226 HydrophobicContact CG1-CB 4.09Å; V183-A226 HydrophobicContact CG2-CB 3.99Å; A226-L277 PolarHBondContact N-O 3.36Å; A226-A278 HydrophobicContact CB-CB 3.75Å; A226-I282 HydrophobicContact CB-CD1 3.83Å; A226-I282 HydrophobicContact CB-CG2 4.48Å
227	Y	94.6	Very high	94.7	Very high	45 Å²	45	31.1 Å²	31.1	18%	0.176	17%	0.165	C	C	.	.			trans	-88.2	125.3	176.3	-59.6	-76.1	0	0	0	110	A250 G254 M255 I282	Y227-A250 VanDerWaalsContact CB-O 3.24Å; Y227-A250 WeakPolarHBondContact CB-O 3.48Å; Y227-A250 HydrophobicContact CD1-CB 3.79Å; Y227-A250 HydrophobicContact CD2-CB 3.94Å; Y227-A250 HydrophobicContact CE1-CB 3.61Å; Y227-A250 HydrophobicContact CE2-CB 3.76Å; Y227-A250 HydrophobicContact CG-CB 3.95Å; Y227-G254 CarbonylContact O-C 3.59Å; Y227-G254 WeakPolarHBondContact O-CA 3.49Å; Y227-M255 PolarHBondContact O-N 3Å; Y227-I282 HydrophobicContact CD2-CD1 4.15Å; Y227-I282 HydrophobicContact CE2-CD1 3.96Å
228	V	95.4	Very high	94.6	Very high	17 Å²	17	30.4 Å²	30.4	10%	0.103	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-114	132.4	171.7	-169.6	0	0	0	0	108.1	P225 T230 T251 M255 P257 V260	P225-V228 HydrophobicContact CB-CG2 3.75Å; P225-V228 HydrophobicContact CG-CG2 4.4Å; V228-T230 VanDerWaalsContact C-N 3.29Å; V228-T230 HydrophobicContact CB-CG2 4.22Å; V228-T230 HydrophobicContact CG1-CG2 3.82Å; V228-T230 PolarHBondContact O-N 3.24Å; V228-T230 PolarHBondContact O-OG1 3.47Å; V228-T251 WeakPolarHBondContact O-CG2 3.49Å; V228-M255 WeakPolarHBondContact CG1-O 3.5Å; V228-P257 HydrophobicContact CG1-CB 3.85Å; V228-V260 HydrophobicContact CG1-CB 4.46Å; V228-V260 HydrophobicContact CG1-CG2 3.88Å; V228-V260 HydrophobicContact CG2-CG1 4.46Å; V228-V260 HydrophobicContact CG2-CG2 3.97Å
229	R	94.6	Very high	94.5	Very high	138 Å²	138	29.8 Å²	29.8	52%	0.521	15%	0.146	S	C	.	.	S	Bend	trans	-71.7	82.5	-175.6	-171.4	179.9	64.2	167.2	-0.7	110.9	T251 M252 M255 P257	R229-T251 WeakPolarHBondContact CA-O 3.41Å; R229-M252 WeakPolarHBondContact CD-O 3.44Å; R229-M255 PolarHBondContact N-O 3.29Å; R229-P257 WeakPolarHBondContact O-CD 3.5Å
230	T	93.4	Very high	94.4	Very high	20 Å²	20	35 Å²	35	12%	0.123	17%	0.17	C	C	.	.	S	Bend	trans	-136.3	172.8	-177.4	66.5	0	0	0	0	110.6	V228 L232 M247 P257	V228-T230 VanDerWaalsContact C-N 3.29Å; V228-T230 HydrophobicContact CB-CG2 4.22Å; V228-T230 HydrophobicContact CG1-CG2 3.82Å; V228-T230 PolarHBondContact O-N 3.24Å; V228-T230 PolarHBondContact O-OG1 3.47Å; T230-L232 PolarHBondContact O-N 3.27Å; T230-L232 VanDerWaalsContact O-N 3.17Å; T230-L232 WeakPolarHBondContact OG1-CB 3.38Å; T230-L232 PolarHBondContact OG1-N 2.94Å; T230-M247 WeakPolarHBondContact O-CE 3.42Å; T230-P257 HydrophobicContact CG2-CB 4.12Å; T230-P257 HydrophobicContact CG2-CG 4.48Å
231	Q	90.7	Very high	94.1	Very high	103 Å²	103	36 Å²	36	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	10.1	175.2	-59.5	-63.4	-2.9	0	0	114.2	S233 M234 N235 M247	Q231-S233 VanDerWaalsContact C-N 3.27Å; Q231-S233 PolarHBondContact O-N 3.44Å; Q231-M234 PolarHBondContact O-N 3.02Å; Q231-N235 WeakPolarHBondContact O-CB 3.43Å; Q231-N235 PolarHBondContact O-N 3.11Å; Q231-N235 PolarHBondContact O-ND2 3.43Å; Q231-M247 VanDerWaalsContact OE1-CE 3.23Å
232	L	89.5	Confident	93.8	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.335	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-38	-179.2	-176.2	65.8	0	0	0	112.6	T230 N235 A236	T230-L232 PolarHBondContact O-N 3.27Å; T230-L232 VanDerWaalsContact O-N 3.17Å; T230-L232 WeakPolarHBondContact OG1-CB 3.38Å; T230-L232 PolarHBondContact OG1-N 2.94Å; L232-N235 CarbonylContact O-C 3.41Å; L232-A236 PolarHBondContact O-N 2.78Å
233	S	86.2	Confident	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-43.8	176.8	-168	0	0	0	0	112.1	R138 Q231 N235 A236 R246 D248	R138-S233 PolarHBondContact NH2-OG 3.04Å; Q231-S233 VanDerWaalsContact C-N 3.27Å; Q231-S233 PolarHBondContact O-N 3.44Å; S233-N235 VanDerWaalsContact C-N 3.25Å; S233-N235 PolarHBondContact O-N 3.4Å; S233-A236 WeakPolarHBondContact O-CB 3.46Å; S233-A236 PolarHBondContact O-N 3.03Å; S233-R246 CarbonylContact C-O 3.29Å; S233-R246 PolarHBondContact OG-O 2.81Å; S233-R246 VanDerWaalsContact OG-O 3.06Å; S233-D248 PolarHBondContact OG-N 3.15Å; S233-D248 PolarHBondContact OG-OD1 3.44Å; S233-D248 PolarHBondContact OG-OD2 2.97Å
234	M	89.5	Confident	92.9	Very high	51 Å²	51	52 Å²	52	25%	0.251	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.6	177.6	-70.8	-63.1	-64.2	0	0	112	Q231 K243 G245 R246 M247	Q231-M234 PolarHBondContact O-N 3.02Å; M234-K243 WeakPolarHBondContact O-CE 2.95Å; M234-K243 VanDerWaalsContact O-CG 3.28Å; M234-K243 WeakPolarHBondContact O-CG 3.36Å; M234-G245 WeakPolarHBondContact CE-O 3.42Å; M234-G245 WeakPolarHBondContact O-CA 3.29Å; M234-G245 PolarHBondContact O-N 3.15Å; M234-R246 VanDerWaalsContact SD-CA 3.51Å; M234-M247 HydrophobicContact CG-CB 4.05Å; M234-M247 HydrophobicContact CG-CE 3.6Å; M234-M247 HydrophobicContact CG-SD 4.19Å; M234-M247 HydrophobicContact SD-CB 3.69Å; M234-M247 PolarHBondContact SD-N 2.97Å
235	N	91.9	Very high	92.3	Very high	69 Å²	69	53.7 Å²	53.7	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.7	-179.9	-62.6	-25.3	0	0	0	113.5	Q231 L232 S233 K243	Q231-N235 WeakPolarHBondContact O-CB 3.43Å; Q231-N235 PolarHBondContact O-N 3.11Å; Q231-N235 PolarHBondContact O-ND2 3.43Å; L232-N235 CarbonylContact O-C 3.41Å; S233-N235 VanDerWaalsContact C-N 3.25Å; S233-N235 PolarHBondContact O-N 3.4Å; N235-K243 WeakPolarHBondContact OD1-CE 3.08Å; N235-K243 PolarHBondContact OD1-NZ 3.36Å
236	A	92.7	Very high	91.7	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.			trans	-64.6	155.5	174.2	0	0	0	0	0	110.3	S136 R138 L232 S233 K243 H244	S136-A236 CarbonylContact O-C 3.22Å; S136-A236 WeakPolarHBondContact O-CA 3.39Å; S136-A236 WeakPolarHBondContact O-CB 3.45Å; R138-A236 HydrophobicContact CG-CB 3.78Å; L232-A236 PolarHBondContact O-N 2.78Å; S233-A236 WeakPolarHBondContact O-CB 3.46Å; S233-A236 PolarHBondContact O-N 3.03Å; A236-K243 CarbonylContact O-C 3.36Å; A236-H244 HydrophobicContact CB-CB 4.17Å; A236-H244 VanDerWaalsContact O-CB 3.26Å; A236-H244 WeakPolarHBondContact O-CB 3.33Å; A236-H244 PolarHBondContact O-N 3.5Å
237	L	95	Very high	91.1	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.089	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-83.8	150.6	170.1	-54.1	-179.9	0	0	0	110.3	V135 S136 V137 R138 V148 Q151 L152 K242	V135-L237 HydrophobicContact CG1-CD1 3.91Å; V135-L237 HydrophobicContact CG1-CG 3.81Å; S136-L237 PolarHBondContact O-N 3.26Å; V137-L237 CarbonylContact C-O 3.58Å; V137-L237 VanDerWaalsContact CA-O 3.28Å; V137-L237 WeakPolarHBondContact CA-O 3.46Å; V137-L237 WeakPolarHBondContact CG2-O 3.3Å; R138-L237 PolarHBondContact N-O 3.34Å; V148-L237 HydrophobicContact CG1-CB 4.47Å; V148-L237 HydrophobicContact CG1-CD1 4.32Å; Q151-L237 HydrophobicContact CG-CD1 4.38Å; Q151-L237 VanDerWaalsContact OE1-CD1 3.31Å; L152-L237 HydrophobicContact CD1-CD1 3.82Å; L237-K242 CarbonylContact C-O 3.32Å; L237-K242 VanDerWaalsContact CA-O 3.22Å; L237-K242 WeakPolarHBondContact CA-O 3.45Å
238	D	93.3	Very high	90.7	Very high	42 Å²	42	62.1 Å²	62.1	23%	0.225	30%	0.302	C	S	.	.			trans	-81.7	-174.9	160	70.4	12.5	0	0	0	110.6	H240 G241 K242	D238-H240 PolarHBondContact O-N 3.2Å; D238-H240 WeakPolarHBondContact OD1-CA 3.05Å; D238-H240 PolarHBondContact OD1-N 3.45Å; D238-G241 PolarHBondContact O-N 3.45Å; D238-G241 PolarHBondContact OD1-N 3.07Å; D238-K242 PolarHBondContact N-O 3.5Å; D238-K242 PolarHBondContact OD1-N 2.78Å; D238-K242 WeakPolarHBondContact OD2-CB 3.44Å
239	G	93.5	Very high	90.3	Very high	6 Å²	6	65 Å²	65	6%	0.062	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.7	-179.2	0	0	0	0	0	114.9	N143 T145	N143-G239 CarbonylContact O-C 3.47Å; N143-G239 WeakPolarHBondContact O-CA 3.31Å; T145-G239 WeakPolarHBondContact CG2-O 3.35Å; T145-G239 PolarHBondContact N-O 2.91Å; T145-G239 PolarHBondContact OG1-O 2.88Å
240	H	94.9	Very high	90	Very high	133 Å²	133	59.8 Å²	59.8	62%	0.616	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	5.9	-176.6	-57.3	-72.1	0	0	0	112.9	D238	D238-H240 PolarHBondContact O-N 3.2Å; D238-H240 WeakPolarHBondContact OD1-CA 3.05Å; D238-H240 PolarHBondContact OD1-N 3.45Å
241	G	92.2	Very high	89.7	Confident	28 Å²	28	59.2 Å²	59.2	29%	0.289	30%	0.302	S	S	.	.	S	Bend	trans	85.6	7.7	177.1	0	0	0	0	0	114.5	D238	D238-G241 PolarHBondContact O-N 3.45Å; D238-G241 PolarHBondContact OD1-N 3.07Å
242	K	93.2	Very high	89.6	Confident	152 Å²	152	59.1 Å²	59.1	66%	0.661	30%	0.303	S	S	*	.	S	Bend	trans	-85	160.3	171	-63.1	-178.3	179	179.4	0	110.1	L237 D238 H244	L237-K242 CarbonylContact C-O 3.32Å; L237-K242 VanDerWaalsContact CA-O 3.22Å; L237-K242 WeakPolarHBondContact CA-O 3.45Å; D238-K242 PolarHBondContact N-O 3.5Å; D238-K242 PolarHBondContact OD1-N 2.78Å; D238-K242 WeakPolarHBondContact OD2-CB 3.44Å; K242-H244 PolarHBondContact O-N 3.08Å
243	K	90.4	Very high	89.7	Confident	131 Å²	131	64.9 Å²	64.9	57%	0.57	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-67.2	124.3	177.7	-174.3	174.2	177.9	173.5	0	110.3	M234 N235 A236 G245	M234-K243 WeakPolarHBondContact O-CE 2.95Å; M234-K243 VanDerWaalsContact O-CG 3.28Å; M234-K243 WeakPolarHBondContact O-CG 3.36Å; N235-K243 WeakPolarHBondContact OD1-CE 3.08Å; N235-K243 PolarHBondContact OD1-NZ 3.36Å; A236-K243 CarbonylContact O-C 3.36Å; K243-G245 VanDerWaalsContact C-N 3.29Å; K243-G245 PolarHBondContact O-N 3.19Å
244	H	87.8	Confident	90	Very high	52 Å²	52	65.7 Å²	65.7	24%	0.241	33%	0.334	C	S	.	.			trans	-58.3	-38.4	177.2	178.3	64.4	0	0	0	112.6	R138 A236 K242 R246	R138-H244 HydrophobicContact CB-CB 4.3Å; R138-H244 HydrophobicContact CG-CB 4.16Å; A236-H244 HydrophobicContact CB-CB 4.17Å; A236-H244 VanDerWaalsContact O-CB 3.26Å; A236-H244 WeakPolarHBondContact O-CB 3.33Å; A236-H244 PolarHBondContact O-N 3.5Å; K242-H244 PolarHBondContact O-N 3.08Å; H244-R246 PolarHBondContact CD2-O 3.37Å; H244-R246 VanDerWaalsContact CD2-O 3.3Å; H244-R246 PolarHBondContact O-N 3.32Å; H244-R246 VanDerWaalsContact O-N 3.07Å
245	G	85.2	Confident	90.3	Very high	36 Å²	36	66 Å²	66	37%	0.371	34%	0.335	S	S	.	.			trans	68.6	9.2	168.5	0	0	0	0	0	115.9	M234 K243	M234-G245 WeakPolarHBondContact CE-O 3.42Å; M234-G245 WeakPolarHBondContact O-CA 3.29Å; M234-G245 PolarHBondContact O-N 3.15Å; K243-G245 VanDerWaalsContact C-N 3.29Å; K243-G245 PolarHBondContact O-N 3.19Å
246	R	85	Confident	90.5	Very high	160 Å²	160	65.7 Å²	65.7	60%	0.604	33%	0.334	S	S	*	.			trans	-125.2	144.3	177.8	-59.3	-179.9	-180	-176.7	-0	112.2	S233 M234 H244 E314	S233-R246 CarbonylContact C-O 3.29Å; S233-R246 PolarHBondContact OG-O 2.81Å; S233-R246 VanDerWaalsContact OG-O 3.06Å; M234-R246 VanDerWaalsContact SD-CA 3.51Å; H244-R246 PolarHBondContact CD2-O 3.37Å; H244-R246 VanDerWaalsContact CD2-O 3.3Å; H244-R246 PolarHBondContact O-N 3.32Å; H244-R246 VanDerWaalsContact O-N 3.07Å; R246-E314 IonicContact NH1-OE2 3.98Å
247	M	83.8	Confident	90.8	Very high	54 Å²	54	66.5 Å²	66.5	27%	0.266	34%	0.339	S	S	.	.			trans	-94	115.2	179.9	-173.6	69.5	80.4	0	0	109.5	T230 Q231 M234 T249 T251 M252	T230-M247 WeakPolarHBondContact O-CE 3.42Å; Q231-M247 VanDerWaalsContact OE1-CE 3.23Å; M234-M247 HydrophobicContact CG-CB 4.05Å; M234-M247 HydrophobicContact CG-CE 3.6Å; M234-M247 HydrophobicContact CG-SD 4.19Å; M234-M247 HydrophobicContact SD-CB 3.69Å; M234-M247 PolarHBondContact SD-N 2.97Å; M247-T249 PolarHBondContact O-N 3.33Å; M247-T251 HydrophobicContact SD-CG2 3.75Å; M247-M252 HydrophobicContact CB-CG 4.3Å; M247-M252 HydrophobicContact CB-SD 4.49Å; M247-M252 HydrophobicContact CG-CG 3.28Å; M247-M252 HydrophobicContact CG-SD 4.02Å; M247-M252 HydrophobicContact SD-CG 4.49Å
248	D	86.2	Confident	90.9	Very high	32 Å²	32	67.8 Å²	67.8	17%	0.171	35%	0.346	C	S	.	.			trans	-61.1	137.2	174.4	-67.7	-19.5	0	0	0	110.7	R138 R192 S233 A250 T251 M252	R138-D248 IonicContact CZ-OD2 2.97Å; R138-D248 IonicContact NE-OD1 2.72Å; R138-D248 IonicContact NE-OD2 3.99Å; R138-D248 PolarHBondContact NE-OD2 2.97Å; R138-D248 IonicContact NH2-OD2 3.72Å; R138-D248 PolarHBondContact NH2-OD2 2.99Å; R192-D248 IonicContact CZ-OD2 3.4Å; R192-D248 IonicContact NH2-OD1 3.84Å; R192-D248 IonicContact NH2-OD2 2.97Å; R192-D248 PolarHBondContact NH2-OD2 3.43Å; S233-D248 PolarHBondContact OG-N 3.15Å; S233-D248 PolarHBondContact OG-OD1 3.44Å; S233-D248 PolarHBondContact OG-OD2 2.97Å; D248-A250 PolarHBondContact O-N 2.83Å; D248-T251 WeakPolarHBondContact O-CA 3.5Å; D248-T251 WeakPolarHBondContact O-CB 3.34Å; D248-T251 PolarHBondContact O-N 3.4Å; D248-M252 PolarHBondContact O-N 3.4Å
249	T	87.8	Confident	91.1	Very high	78 Å²	78	71.2 Å²	71.2	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-56.4	-34.2	174.1	56.3	0	0	0	0	112.9	M247 M252 K253	M247-T249 PolarHBondContact O-N 3.33Å; T249-M252 HydrophobicContact CG2-CE 3.94Å; T249-M252 PolarHBondContact O-N 3.17Å; T249-K253 WeakPolarHBondContact O-CG 3.42Å; T249-K253 PolarHBondContact O-N 3.24Å; T249-K253 VanDerWaalsContact O-N 3.11Å
250	A	87	Confident	91.3	Very high	27 Å²	27	71 Å²	71	22%	0.223	36%	0.356	C	S	.	.	H	α-helix	trans	-66	-37.4	175.6	0	0	0	0	0	112.5	Y227 D248 K253 G254	Y227-A250 VanDerWaalsContact CB-O 3.24Å; Y227-A250 WeakPolarHBondContact CB-O 3.48Å; Y227-A250 HydrophobicContact CD1-CB 3.79Å; Y227-A250 HydrophobicContact CD2-CB 3.94Å; Y227-A250 HydrophobicContact CE1-CB 3.61Å; Y227-A250 HydrophobicContact CE2-CB 3.76Å; Y227-A250 HydrophobicContact CG-CB 3.95Å; D248-A250 PolarHBondContact O-N 2.83Å; A250-K253 CarbonylContact O-C 3.58Å; A250-G254 PolarHBondContact O-N 3.43Å
251	T	87.3	Confident	91.5	Very high	8 Å²	8	64.7 Å²	64.7	5%	0.049	33%	0.327	C	S	.	.	H	α-helix	trans	-71.6	-40.4	176.4	-54.5	0	0	0	0	111	V228 R229 M247 D248 K253 G254	V228-T251 WeakPolarHBondContact O-CG2 3.49Å; R229-T251 WeakPolarHBondContact CA-O 3.41Å; M247-T251 HydrophobicContact SD-CG2 3.75Å; D248-T251 WeakPolarHBondContact O-CA 3.5Å; D248-T251 WeakPolarHBondContact O-CB 3.34Å; D248-T251 PolarHBondContact O-N 3.4Å; T251-K253 VanDerWaalsContact C-N 3.29Å; T251-K253 PolarHBondContact O-N 3.1Å; T251-G254 PolarHBondContact O-N 2.9Å
252	M	88.6	Confident	91.7	Very high	101 Å²	101	66.4 Å²	66.4	50%	0.498	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-40.2	174.6	-67.2	-165.6	-75.1	0	0	112.6	R229 M247 D248 T249 G254	R229-M252 WeakPolarHBondContact CD-O 3.44Å; M247-M252 HydrophobicContact CB-CG 4.3Å; M247-M252 HydrophobicContact CB-SD 4.49Å; M247-M252 HydrophobicContact CG-CG 3.28Å; M247-M252 HydrophobicContact CG-SD 4.02Å; M247-M252 HydrophobicContact SD-CG 4.49Å; D248-M252 PolarHBondContact O-N 3.4Å; T249-M252 HydrophobicContact CG2-CE 3.94Å; T249-M252 PolarHBondContact O-N 3.17Å; M252-G254 PolarHBondContact O-N 3.41Å
253	K	91.3	Very high	92	Very high	186 Å²	186	61 Å²	61	81%	0.809	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	8.7	175.8	-65.2	-178.8	179.1	-176.2	0	113.3	T249 A250 T251	T249-K253 WeakPolarHBondContact O-CG 3.42Å; T249-K253 PolarHBondContact O-N 3.24Å; T249-K253 VanDerWaalsContact O-N 3.11Å; A250-K253 CarbonylContact O-C 3.58Å; T251-K253 VanDerWaalsContact C-N 3.29Å; T251-K253 PolarHBondContact O-N 3.1Å
254	G	93.3	Very high	92.4	Very high	17 Å²	17	54.8 Å²	54.8	18%	0.175	28%	0.279	C	S	.	.	S	Bend	trans	-68	168.7	179.3	0	0	0	0	0	113	Y227 A250 T251 M252	Y227-G254 CarbonylContact O-C 3.59Å; Y227-G254 WeakPolarHBondContact O-CA 3.49Å; A250-G254 PolarHBondContact O-N 3.43Å; T251-G254 PolarHBondContact O-N 2.9Å; M252-G254 PolarHBondContact O-N 3.41Å
255	M	95.9	Very high	92.9	Very high	57 Å²	57	52.3 Å²	52.3	28%	0.281	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-63.6	145.4	174.8	-168.4	175.9	-62.9	0	0	110.5	Y227 V228 R229 K259 V260 L263	Y227-M255 PolarHBondContact O-N 3Å; V228-M255 WeakPolarHBondContact CG1-O 3.5Å; R229-M255 PolarHBondContact N-O 3.29Å; M255-K259 HydrophobicContact CG-CB 4.28Å; M255-K259 HydrophobicContact CG-CD 4.19Å; M255-K259 HydrophobicContact CG-CG 4.34Å; M255-K259 HydrophobicContact SD-CB 4.41Å; M255-K259 HydrophobicContact SD-CD 4.12Å; M255-K259 HydrophobicContact SD-CG 4.01Å; M255-V260 HydrophobicContact CB-CG2 3.78Å; M255-V260 HydrophobicContact CG-CG2 3.7Å; M255-V260 HydrophobicContact SD-CG2 3.53Å; M255-V260 VanDerWaalsContact SD-CG2 3.53Å; M255-L263 HydrophobicContact SD-CD1 4.13Å
256	N	96.8	Very high	93.5	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-58.8	128.5	171.7	-178.2	-37.3	0	0	0	109.6	D258 K259 V260	N256-D258 VanDerWaalsContact C-N 3.28Å; N256-D258 PolarHBondContact O-N 3.34Å; N256-D258 WeakPolarHBondContact OD1-CB 3.47Å; N256-D258 PolarHBondContact OD1-N 3.44Å; N256-K259 HydrophobicContact CB-CB 4.28Å; N256-K259 WeakPolarHBondContact O-CB 3.41Å; N256-K259 PolarHBondContact O-N 2.93Å; N256-K259 VanDerWaalsContact O-N 3.08Å; N256-V260 PolarHBondContact O-N 2.72Å
257	P	97.6	Very high	94.1	Very high	17 Å²	17	48.1 Å²	48.1	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-33.3	-179.3	25	-35.6	0	0	0	113.9	S53 V228 R229 T230 K259 V260 A261	S53-P257 WeakPolarHBondContact CB-O 3.49Å; S53-P257 WeakPolarHBondContact OG-CB 3.32Å; V228-P257 HydrophobicContact CG1-CB 3.85Å; R229-P257 WeakPolarHBondContact O-CD 3.5Å; T230-P257 HydrophobicContact CG2-CB 4.12Å; T230-P257 HydrophobicContact CG2-CG 4.48Å; P257-K259 VanDerWaalsContact C-N 3.34Å; P257-K259 PolarHBondContact O-N 2.86Å; P257-V260 PolarHBondContact O-N 2.97Å; P257-A261 WeakPolarHBondContact O-CB 3.44Å; P257-A261 PolarHBondContact O-N 3.38Å
258	D	97.1	Very high	94.8	Very high	45 Å²	45	45.6 Å²	45.6	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-36.7	175.9	-63.8	-44.3	0	0	0	111.6	S53 R56 N256 A261 M262	S53-D258 WeakPolarHBondContact CB-OD1 3.43Å; S53-D258 PolarHBondContact OG-N 3.35Å; S53-D258 PolarHBondContact OG-OD1 3.48Å; R56-D258 IonicContact NH1-OD1 3.87Å; R56-D258 PolarHBondContact NH1-OD1 3.02Å; R56-D258 IonicContact NH1-OD2 3.2Å; N256-D258 VanDerWaalsContact C-N 3.28Å; N256-D258 PolarHBondContact O-N 3.34Å; N256-D258 WeakPolarHBondContact OD1-CB 3.47Å; N256-D258 PolarHBondContact OD1-N 3.44Å; D258-A261 PolarHBondContact O-N 3.26Å; D258-M262 WeakPolarHBondContact O-CB 3.32Å; D258-M262 PolarHBondContact O-N 3.44Å
259	K	97.7	Very high	95.3	Very high	114 Å²	114	44.9 Å²	44.9	50%	0.496	23%	0.226	S	C	.	.	H	α-helix	trans	-67	-41.6	174.3	-177	174.7	-179.5	173.6	0	111.1	M255 N256 P257 M262 L263	M255-K259 HydrophobicContact CG-CB 4.28Å; M255-K259 HydrophobicContact CG-CD 4.19Å; M255-K259 HydrophobicContact CG-CG 4.34Å; M255-K259 HydrophobicContact SD-CB 4.41Å; M255-K259 HydrophobicContact SD-CD 4.12Å; M255-K259 HydrophobicContact SD-CG 4.01Å; N256-K259 HydrophobicContact CB-CB 4.28Å; N256-K259 WeakPolarHBondContact O-CB 3.41Å; N256-K259 PolarHBondContact O-N 2.93Å; N256-K259 VanDerWaalsContact O-N 3.08Å; P257-K259 VanDerWaalsContact C-N 3.34Å; P257-K259 PolarHBondContact O-N 2.86Å; K259-M262 HydrophobicContact CG-CE 4.33Å; K259-M262 PolarHBondContact O-N 3.38Å; K259-L263 HydrophobicContact CG-CD1 4.29Å; K259-L263 VanDerWaalsContact O-CG 3.32Å; K259-L263 WeakPolarHBondContact O-CG 3.24Å; K259-L263 PolarHBondContact O-N 3.49Å; K259-L263 VanDerWaalsContact O-N 3.08Å
260	V	98.4	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-51.5	174.7	175.1	0	0	0	0	109.7	L50 V228 M255 N256 P257 M262 L263 V264 L277	L50-V260 HydrophobicContact CD1-CB 3.81Å; L50-V260 HydrophobicContact CD1-CG1 3.47Å; L50-V260 VanDerWaalsContact CD1-CG1 3.47Å; L50-V260 HydrophobicContact CD2-CG1 3.99Å; L50-V260 HydrophobicContact CG-CG1 4.41Å; V228-V260 HydrophobicContact CG1-CB 4.46Å; V228-V260 HydrophobicContact CG1-CG2 3.88Å; V228-V260 HydrophobicContact CG2-CG1 4.46Å; V228-V260 HydrophobicContact CG2-CG2 3.97Å; M255-V260 HydrophobicContact CB-CG2 3.78Å; M255-V260 HydrophobicContact CG-CG2 3.7Å; M255-V260 HydrophobicContact SD-CG2 3.53Å; M255-V260 VanDerWaalsContact SD-CG2 3.53Å; N256-V260 PolarHBondContact O-N 2.72Å; P257-V260 PolarHBondContact O-N 2.97Å; V260-M262 VanDerWaalsContact C-N 3.34Å; V260-M262 PolarHBondContact O-N 2.81Å; V260-L263 PolarHBondContact O-N 2.89Å; V260-L263 VanDerWaalsContact O-N 3.12Å; V260-V264 HydrophobicContact CG1-CG2 4.36Å; V260-V264 WeakPolarHBondContact O-CG2 3.45Å; V260-V264 PolarHBondContact O-N 2.97Å; V260-L277 HydrophobicContact CB-CD1 4.33Å; V260-L277 HydrophobicContact CG1-CD1 3.68Å; V260-L277 HydrophobicContact CG2-CD1 4.44Å
261	A	98.6	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-43.3	179.7	0	0	0	0	0	112.6	L50 S53 L54 Q57 P257 D258 L263 V264 V265	L50-A261 HydrophobicContact CD1-CB 4.38Å; S53-A261 VanDerWaalsContact C-CB 3.45Å; S53-A261 WeakPolarHBondContact O-CB 3.43Å; L54-A261 HydrophobicContact CD2-CB 3.88Å; L54-A261 HydrophobicContact CG-CB 4.06Å; Q57-A261 HydrophobicContact CB-CB 4.18Å; Q57-A261 HydrophobicContact CG-CB 3.52Å; P257-A261 WeakPolarHBondContact O-CB 3.44Å; P257-A261 PolarHBondContact O-N 3.38Å; D258-A261 PolarHBondContact O-N 3.26Å; A261-L263 VanDerWaalsContact C-N 3.34Å; A261-L263 PolarHBondContact O-N 2.98Å; A261-V264 PolarHBondContact O-N 2.98Å; A261-V265 WeakPolarHBondContact O-CG2 3.46Å; A261-V265 PolarHBondContact O-N 2.99Å
262	M	97.7	Very high	96.6	Very high	65 Å²	65	50 Å²	50	32%	0.32	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-42.6	175.5	177	-168	71.9	0	0	112.1	D258 K259 V260 R266	D258-M262 WeakPolarHBondContact O-CB 3.32Å; D258-M262 PolarHBondContact O-N 3.44Å; K259-M262 HydrophobicContact CG-CE 4.33Å; K259-M262 PolarHBondContact O-N 3.38Å; V260-M262 VanDerWaalsContact C-N 3.34Å; V260-M262 PolarHBondContact O-N 2.81Å; M262-R266 WeakPolarHBondContact O-CB 3.11Å; M262-R266 PolarHBondContact O-N 3.19Å
263	L	98.3	Very high	97	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-36.7	177.2	-68.9	172.3	0	0	0	111.9	M255 K259 V260 A261 R266 A267 L275 L277	M255-L263 HydrophobicContact SD-CD1 4.13Å; K259-L263 HydrophobicContact CG-CD1 4.29Å; K259-L263 VanDerWaalsContact O-CG 3.32Å; K259-L263 WeakPolarHBondContact O-CG 3.24Å; K259-L263 PolarHBondContact O-N 3.49Å; K259-L263 VanDerWaalsContact O-N 3.08Å; V260-L263 PolarHBondContact O-N 2.89Å; V260-L263 VanDerWaalsContact O-N 3.12Å; A261-L263 VanDerWaalsContact C-N 3.34Å; A261-L263 PolarHBondContact O-N 2.98Å; L263-R266 PolarHBondContact O-N 3.17Å; L263-A267 WeakPolarHBondContact O-CB 3.22Å; L263-A267 PolarHBondContact O-N 2.89Å; L263-L275 HydrophobicContact CB-CD2 4.3Å; L263-L277 HydrophobicContact CB-CD1 4.34Å; L263-L277 HydrophobicContact CB-CD2 4.17Å; L263-L277 HydrophobicContact CD1-CD2 3.63Å
264	V	98.7	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-49.8	174.3	171.2	0	0	0	0	111.1	L54 V178 I180 V223 V260 A261 R266 A267 L268 L275	L54-V264 HydrophobicContact CD2-CB 3.83Å; L54-V264 HydrophobicContact CD2-CG1 3.7Å; L54-V264 HydrophobicContact CD2-CG2 4.3Å; V178-V264 HydrophobicContact CG1-CG1 3.66Å; I180-V264 HydrophobicContact CD1-CG2 4.5Å; V223-V264 HydrophobicContact CB-CG2 4.35Å; V223-V264 HydrophobicContact CG1-CG2 3.62Å; V223-V264 HydrophobicContact CG2-CG1 4.05Å; V223-V264 HydrophobicContact CG2-CG2 3.89Å; V260-V264 HydrophobicContact CG1-CG2 4.36Å; V260-V264 WeakPolarHBondContact O-CG2 3.45Å; V260-V264 PolarHBondContact O-N 2.97Å; A261-V264 PolarHBondContact O-N 2.98Å; V264-R266 VanDerWaalsContact C-N 3.27Å; V264-R266 PolarHBondContact O-N 3.2Å; V264-A267 PolarHBondContact O-N 3.21Å; V264-L268 WeakPolarHBondContact O-CB 3.48Å; V264-L268 PolarHBondContact O-N 3.33Å; V264-L275 HydrophobicContact CG2-CD2 4.07Å
265	V	98.4	Very high	97.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-37.4	177.7	179.9	0	0	0	0	110.7	Y33 L36 Q57 F58 Q61 A261 L268 V269	Y33-V265 HydrophobicContact CD1-CG1 4.33Å; Y33-V265 HydrophobicContact CE1-CG1 3.71Å; L36-V265 HydrophobicContact CD1-CG1 3.47Å; L36-V265 VanDerWaalsContact CD1-CG1 3.47Å; Q57-V265 HydrophobicContact CB-CG2 3.93Å; F58-V265 HydrophobicContact CD1-CG2 4.31Å; F58-V265 HydrophobicContact CD2-CG2 4.33Å; F58-V265 HydrophobicContact CE1-CG1 4.47Å; F58-V265 HydrophobicContact CE1-CG2 4.08Å; F58-V265 HydrophobicContact CE2-CG2 4.07Å; F58-V265 HydrophobicContact CG-CG2 4.44Å; F58-V265 HydrophobicContact CZ-CG2 3.95Å; Q61-V265 HydrophobicContact CG-CG1 4.38Å; A261-V265 WeakPolarHBondContact O-CG2 3.46Å; A261-V265 PolarHBondContact O-N 2.99Å; V265-L268 WeakPolarHBondContact O-CB 3.21Å; V265-L268 PolarHBondContact O-N 3.44Å; V265-V269 WeakPolarHBondContact O-CG1 3.46Å; V265-V269 PolarHBondContact O-N 3.16Å; V265-V269 VanDerWaalsContact O-N 3.08Å
266	R	97.8	Very high	97.7	Very high	106 Å²	106	46 Å²	46	40%	0.4	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-47.6	174.3	-176.7	177.2	-67.5	-178	-2.7	112.3	Y33 M262 L263 V264 L268 V269 N270	Y33-R266 WeakPolarHBondContact OH-CA 3.37Å; Y33-R266 WeakPolarHBondContact OH-CB 3.48Å; M262-R266 WeakPolarHBondContact O-CB 3.11Å; M262-R266 PolarHBondContact O-N 3.19Å; L263-R266 PolarHBondContact O-N 3.17Å; V264-R266 VanDerWaalsContact C-N 3.27Å; V264-R266 PolarHBondContact O-N 3.2Å; R266-L268 VanDerWaalsContact C-N 3.32Å; R266-V269 VanDerWaalsContact O-CG2 3.3Å; R266-V269 WeakPolarHBondContact O-CG2 3.45Å; R266-V269 PolarHBondContact O-N 3.49Å; R266-N270 VanDerWaalsContact O-CB 3.31Å; R266-N270 WeakPolarHBondContact O-CB 3.33Å; R266-N270 VanDerWaalsContact O-CG 3.26Å; R266-N270 PolarHBondContact O-N 2.75Å; R266-N270 PolarHBondContact O-ND2 3.42Å
267	A	98.3	Very high	97.7	Very high	1 Å²	1	44 Å²	44	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-40.9	178.8	0	0	0	0	0	111.4	L221 L263 V264 N270 N271 E272 L275	L221-A267 HydrophobicContact CD1-CB 4.29Å; L221-A267 HydrophobicContact CD2-CB 3.93Å; L263-A267 WeakPolarHBondContact O-CB 3.22Å; L263-A267 PolarHBondContact O-N 2.89Å; V264-A267 PolarHBondContact O-N 3.21Å; A267-N270 CarbonylContact O-C 2.99Å; A267-N270 PolarHBondContact O-N 3.21Å; A267-N271 PolarHBondContact O-N 2.77Å; A267-E272 HydrophobicContact CB-CB 4.02Å; A267-E272 HydrophobicContact CB-CG 4.26Å; A267-E272 WeakPolarHBondContact CB-OE2 3.29Å; A267-E272 WeakPolarHBondContact O-CB 3.28Å; A267-E272 PolarHBondContact O-N 3.22Å; A267-L275 HydrophobicContact CB-CB 4.19Å; A267-L275 HydrophobicContact CB-CD1 4.27Å; A267-L275 HydrophobicContact CB-CD2 3.76Å; A267-L275 HydrophobicContact CB-CG 4.27Å
268	L	98.2	Very high	97.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-55.8	-57.5	174.7	-176.9	68.2	0	0	0	111	W35 L36 F58 V128 S176 V178 Q219 L221 V264 V265 R266 N270 N271	W35-L268 HydrophobicContact CZ3-CD2 4.36Å; W35-L268 HydrophobicContact CZ3-CG 4.47Å; L36-L268 HydrophobicContact CD2-CD2 4.33Å; F58-L268 HydrophobicContact CE1-CD2 3.64Å; F58-L268 HydrophobicContact CZ-CD2 3.71Å; V128-L268 HydrophobicContact CG1-CD2 4.17Å; V128-L268 HydrophobicContact CG2-CD2 4.45Å; S176-L268 VanDerWaalsContact CB-CD1 3.47Å; V178-L268 HydrophobicContact CG2-CD1 3.59Å; V178-L268 HydrophobicContact CG2-CD2 4.09Å; V178-L268 HydrophobicContact CG2-CG 4.34Å; Q219-L268 PolarHBondContact NE2-O 3.05Å; Q219-L268 PolarHBondContact OE1-O 3.24Å; L221-L268 HydrophobicContact CD2-CB 4.02Å; L221-L268 HydrophobicContact CD2-CD1 4.48Å; V264-L268 WeakPolarHBondContact O-CB 3.48Å; V264-L268 PolarHBondContact O-N 3.33Å; V265-L268 WeakPolarHBondContact O-CB 3.21Å; V265-L268 PolarHBondContact O-N 3.44Å; R266-L268 VanDerWaalsContact C-N 3.32Å; L268-N270 PolarHBondContact O-N 2.87Å; L268-N270 VanDerWaalsContact O-N 3.14Å; L268-N271 PolarHBondContact O-N 3.39Å
269	V	97.2	Very high	97.5	Very high	17 Å²	17	45.1 Å²	45.1	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-16.2	-178.6	-55.5	0	0	0	0	113.3	K32 Y33 W35 L36 V265 R266 N271	K32-V269 HydrophobicContact CB-CB 4Å; K32-V269 HydrophobicContact CB-CG2 4.04Å; K32-V269 WeakPolarHBondContact CD-O 3.13Å; Y33-V269 HydrophobicContact CD1-CG1 4.45Å; Y33-V269 HydrophobicContact CD2-CG2 4.36Å; Y33-V269 HydrophobicContact CE1-CG2 4.45Å; Y33-V269 HydrophobicContact CE2-CG2 4.22Å; W35-V269 HydrophobicContact CE3-CG1 4.45Å; L36-V269 HydrophobicContact CD1-CG1 3.55Å; L36-V269 HydrophobicContact CG-CG1 3.86Å; V265-V269 WeakPolarHBondContact O-CG1 3.46Å; V265-V269 PolarHBondContact O-N 3.16Å; V265-V269 VanDerWaalsContact O-N 3.08Å; R266-V269 VanDerWaalsContact O-CG2 3.3Å; R266-V269 WeakPolarHBondContact O-CG2 3.45Å; R266-V269 PolarHBondContact O-N 3.49Å; V269-N271 VanDerWaalsContact C-N 3.29Å
270	N	96.4	Very high	97.3	Very high	42 Å²	42	43.3 Å²	43.3	23%	0.225	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.1	172.7	-79.4	-19.9	0	0	0	114	Q29 K32 R266 A267 L268 E272	Q29-N270 PolarHBondContact OE1-OD1 3.31Å; K32-N270 WeakPolarHBondContact CD-OD1 3.37Å; K32-N270 PolarHBondContact NZ-OD1 2.89Å; R266-N270 VanDerWaalsContact O-CB 3.31Å; R266-N270 WeakPolarHBondContact O-CB 3.33Å; R266-N270 VanDerWaalsContact O-CG 3.26Å; R266-N270 PolarHBondContact O-N 2.75Å; R266-N270 PolarHBondContact O-ND2 3.42Å; A267-N270 CarbonylContact O-C 2.99Å; A267-N270 PolarHBondContact O-N 3.21Å; L268-N270 PolarHBondContact O-N 2.87Å; L268-N270 VanDerWaalsContact O-N 3.14Å; N270-E272 HydrophobicContact CB-CG 3.98Å; N270-E272 PolarHBondContact ND2-OE1 3Å; N270-E272 PolarHBondContact O-N 3.22Å
271	N	95.8	Very high	97	Very high	111 Å²	111	52.3 Å²	52.3	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	36.3	-173.4	-156.9	48.8	0	0	0	112.7	Q219 A267 L268 V269	Q219-N271 WeakPolarHBondContact CG-OD1 3.2Å; Q219-N271 VanDerWaalsContact NE2-CA 3.33Å; Q219-N271 PolarHBondContact OE1-OD1 2.78Å; A267-N271 PolarHBondContact O-N 2.77Å; L268-N271 PolarHBondContact O-N 3.39Å; V269-N271 VanDerWaalsContact C-N 3.29Å
272	E	97.1	Very high	96.8	Very high	69 Å²	69	53.4 Å²	53.4	32%	0.322	27%	0.269	S	S	.	.			trans	-73.2	144.3	173.5	-66.3	174.3	-144.9	0	0	110	Q219 L221 A267 N270	Q219-E272 PolarHBondContact NE2-O 3.09Å; L221-E272 HydrophobicContact CD1-CB 4.36Å; L221-E272 WeakPolarHBondContact CD1-O 3.48Å; A267-E272 HydrophobicContact CB-CB 4.02Å; A267-E272 HydrophobicContact CB-CG 4.26Å; A267-E272 WeakPolarHBondContact CB-OE2 3.29Å; A267-E272 WeakPolarHBondContact O-CB 3.28Å; A267-E272 PolarHBondContact O-N 3.22Å; N270-E272 HydrophobicContact CB-CG 3.98Å; N270-E272 PolarHBondContact ND2-OE1 3Å; N270-E272 PolarHBondContact O-N 3.22Å
273	E	96.7	Very high	96.7	Very high	136 Å²	136	57.1 Å²	57.1	64%	0.636	28%	0.28	S	S	*	.	S	Bend	trans	-92	-33.9	179.1	-61.2	-175.1	154.9	0	0	112.3	R210 V222	R210-E273 PolarHBondContact NH1-O 2.76Å; V222-E273 PolarHBondContact N-O 3.39Å
274	E	98	Very high	96.5	Very high	77 Å²	77	61.5 Å²	61.5	36%	0.36	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.9	178.6	-169.2	-176.2	49	0	0	111.6	H203 V222 I276	H203-E274 IonicContact CE1-OE2 2.62Å; H203-E274 PolarHBondContact CE1-OE2 3.18Å; H203-E274 IonicContact NE2-OE2 3.21Å; V222-E274 CarbonylContact O-C 3.54Å; V222-E274 VanDerWaalsContact O-CA 3.32Å; V222-E274 WeakPolarHBondContact O-CA 3.34Å; E274-I276 HydrophobicContact CG-CG1 4.23Å
275	L	98.3	Very high	96.4	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	104.7	175.5	-179.3	65.7	0	0	0	111.7	L221 V222 V223 C224 L263 V264 A267 L277	L221-L275 HydrophobicContact CD1-CB 4.11Å; V222-L275 PolarHBondContact O-N 3.22Å; V223-L275 HydrophobicContact CG1-CB 4.36Å; V223-L275 HydrophobicContact CG1-CD2 4.19Å; V223-L275 HydrophobicContact CG1-CG 4.45Å; C224-L275 PolarHBondContact N-O 3.22Å; L263-L275 HydrophobicContact CB-CD2 4.3Å; V264-L275 HydrophobicContact CG2-CD2 4.07Å; A267-L275 HydrophobicContact CB-CB 4.19Å; A267-L275 HydrophobicContact CB-CD1 4.27Å; A267-L275 HydrophobicContact CB-CD2 3.76Å; A267-L275 HydrophobicContact CB-CG 4.27Å; L275-L277 HydrophobicContact CD1-CD2 3.94Å; L275-L277 HydrophobicContact CD1-CG 4.39Å; L275-L277 HydrophobicContact CD2-CD1 3.87Å; L275-L277 HydrophobicContact CD2-CD2 4.11Å; L275-L277 HydrophobicContact CD2-CG 4.02Å; L275-L277 HydrophobicContact CG-CD1 4.28Å; L275-L277 HydrophobicContact CG-CD2 3.95Å; L275-L277 HydrophobicContact CG-CG 3.87Å
276	I	98.2	Very high	96.3	Very high	42 Å²	42	64 Å²	64	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.3	176	-56.7	175.5	0	0	0	110.7	V183 L186 C224 E274 A278 R283 I286	V183-I276 HydrophobicContact CG1-CG2 4.37Å; L186-I276 HydrophobicContact CD1-CD1 3.97Å; L186-I276 HydrophobicContact CD1-CG1 4.33Å; C224-I276 HydrophobicContact CB-CG1 4.17Å; E274-I276 HydrophobicContact CG-CG1 4.23Å; I276-A278 HydrophobicContact CG2-CB 4.19Å; I276-R283 HydrophobicContact CG2-CG 4.32Å; I276-I286 HydrophobicContact CD1-CD1 4.14Å; I276-I286 HydrophobicContact CG2-CD1 4.21Å
277	L	97.8	Very high	96.3	Very high	19 Å²	19	61.4 Å²	61.4	10%	0.099	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	81.7	-180	-62	175	0	0	0	110.9	V223 C224 P225 A226 V260 L263 L275	V223-L277 HydrophobicContact CG1-CD1 4.25Å; C224-L277 PolarHBondContact O-N 3.33Å; C224-L277 VanDerWaalsContact O-N 3.08Å; P225-L277 HydrophobicContact CB-CB 4.4Å; A226-L277 PolarHBondContact N-O 3.36Å; V260-L277 HydrophobicContact CB-CD1 4.33Å; V260-L277 HydrophobicContact CG1-CD1 3.68Å; V260-L277 HydrophobicContact CG2-CD1 4.44Å; L263-L277 HydrophobicContact CB-CD1 4.34Å; L263-L277 HydrophobicContact CB-CD2 4.17Å; L263-L277 HydrophobicContact CD1-CD2 3.63Å; L275-L277 HydrophobicContact CD1-CD2 3.94Å; L275-L277 HydrophobicContact CD1-CG 4.39Å; L275-L277 HydrophobicContact CD2-CD1 3.87Å; L275-L277 HydrophobicContact CD2-CD2 4.11Å; L275-L277 HydrophobicContact CD2-CG 4.02Å; L275-L277 HydrophobicContact CG-CD1 4.28Å; L275-L277 HydrophobicContact CG-CD2 3.95Å; L275-L277 HydrophobicContact CG-CG 3.87Å
278	A	95.6	Very high	96.2	Very high	16 Å²	16	63.4 Å²	63.4	13%	0.132	32%	0.324	C	S	.	.			trans	-142.8	147.1	-176.4	0	0	0	0	0	112.7	V183 A226 I276 I282 R283	V183-A278 HydrophobicContact CG1-CB 3.87Å; A226-A278 HydrophobicContact CB-CB 3.75Å; I276-A278 HydrophobicContact CG2-CB 4.19Å; A278-I282 HydrophobicContact CB-CB 4.05Å; A278-I282 HydrophobicContact CB-CG2 3.92Å; A278-R283 HydrophobicContact CB-CG 3.87Å; A278-R283 VanDerWaalsContact O-CD 3.3Å; A278-R283 WeakPolarHBondContact O-CD 3.28Å; A278-R283 WeakPolarHBondContact O-CG 3.36Å
279	P	94.1	Very high	96.1	Very high	70 Å²	70	68.1 Å²	68.1	46%	0.455	34%	0.341	S	S	.	.			trans	-58.5	153.1	169.2	-21.3	32.2	0	0	0	111.6	R281 I282 R283	P279-R281 HydrophobicContact CB-CG 4.41Å; P279-R281 PolarHBondContact O-N 2.76Å; P279-R281 VanDerWaalsContact O-N 3.09Å; P279-I282 PolarHBondContact O-N 3.46Å; P279-R283 PolarHBondContact O-N 3.17Å; P279-R283 VanDerWaalsContact O-N 3.09Å
280	A	93.9	Very high	96.1	Very high	76 Å²	76	72.8 Å²	72.8	63%	0.628	37%	0.37	S	S	*	.	H	α-helix	trans	-47.5	-44.7	-177.6	0	0	0	0	0	113.1	I282 R283 M284	A280-I282 VanDerWaalsContact C-N 3.29Å; A280-I282 PolarHBondContact O-N 2.74Å; A280-R283 PolarHBondContact O-N 3.18Å; A280-R283 VanDerWaalsContact O-N 3.12Å; A280-M284 WeakPolarHBondContact O-CG 3.44Å; A280-M284 PolarHBondContact O-N 3.38Å
281	R	92.3	Very high	96.2	Very high	189 Å²	189	77.4 Å²	77.4	71%	0.713	39%	0.393	S	S	*	.	H	α-helix	trans	-55.9	-36.7	177.9	74.6	-175	179.5	-174.5	-2.4	114.6	P279	P279-R281 HydrophobicContact CB-CG 4.41Å; P279-R281 PolarHBondContact O-N 2.76Å; P279-R281 VanDerWaalsContact O-N 3.09Å
282	I	93.5	Very high	96.2	Very high	23 Å²	23	78.9 Å²	78.9	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-81.7	-38.2	179.1	-64.8	-178.6	0	0	0	109.4	V183 I187 A226 Y227 A278 P279 A280 M284 A285	V183-I282 HydrophobicContact CB-CG2 4.24Å; V183-I282 HydrophobicContact CG1-CG2 4.21Å; V183-I282 HydrophobicContact CG2-CG2 4.1Å; I187-I282 HydrophobicContact CD1-CG2 4.45Å; A226-I282 HydrophobicContact CB-CD1 3.83Å; A226-I282 HydrophobicContact CB-CG2 4.48Å; Y227-I282 HydrophobicContact CD2-CD1 4.15Å; Y227-I282 HydrophobicContact CE2-CD1 3.96Å; A278-I282 HydrophobicContact CB-CB 4.05Å; A278-I282 HydrophobicContact CB-CG2 3.92Å; P279-I282 PolarHBondContact O-N 3.46Å; A280-I282 VanDerWaalsContact C-N 3.29Å; A280-I282 PolarHBondContact O-N 2.74Å; I282-M284 VanDerWaalsContact C-N 3.28Å; I282-M284 PolarHBondContact O-N 2.74Å; I282-A285 WeakPolarHBondContact O-CB 3.46Å; I282-A285 PolarHBondContact O-N 3.28Å; I282-A285 VanDerWaalsContact O-N 3.08Å
283	R	95.7	Very high	96.2	Very high	144 Å²	144	78.5 Å²	78.5	54%	0.543	39%	0.393	S	S	.	.	H	α-helix	trans	-59.5	-39.6	174.8	-67	-177	66	176.8	0.8	112	I276 A278 P279 A280 A285 I286 P287	I276-R283 HydrophobicContact CG2-CG 4.32Å; A278-R283 HydrophobicContact CB-CG 3.87Å; A278-R283 VanDerWaalsContact O-CD 3.3Å; A278-R283 WeakPolarHBondContact O-CD 3.28Å; A278-R283 WeakPolarHBondContact O-CG 3.36Å; P279-R283 PolarHBondContact O-N 3.17Å; P279-R283 VanDerWaalsContact O-N 3.09Å; A280-R283 PolarHBondContact O-N 3.18Å; A280-R283 VanDerWaalsContact O-N 3.12Å; R283-A285 VanDerWaalsContact C-N 3.25Å; R283-A285 PolarHBondContact O-N 2.91Å; R283-I286 PolarHBondContact O-N 2.99Å; R283-P287 WeakPolarHBondContact O-CD 3.47Å
284	M	95.6	Very high	96.3	Very high	130 Å²	130	75.7 Å²	75.7	64%	0.64	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.1	176.1	-68.3	-54.6	-65.6	0	0	113.5	A280 I282 I286 P287 L288	A280-M284 WeakPolarHBondContact O-CG 3.44Å; A280-M284 PolarHBondContact O-N 3.38Å; I282-M284 VanDerWaalsContact C-N 3.28Å; I282-M284 PolarHBondContact O-N 2.74Å; M284-I286 VanDerWaalsContact C-N 3.28Å; M284-I286 PolarHBondContact O-N 2.95Å; M284-P287 WeakPolarHBondContact O-CD 3.48Å; M284-L288 VanDerWaalsContact O-CB 3.22Å; M284-L288 WeakPolarHBondContact O-CB 3.37Å; M284-L288 PolarHBondContact O-N 3.28Å
285	A	95.7	Very high	96.2	Very high	18 Å²	18	74.3 Å²	74.3	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-71.1	-24.3	178.7	0	0	0	0	0	112.9	I187 I282 R283 R289 F296	I187-A285 HydrophobicContact CD1-CB 3.8Å; I282-A285 WeakPolarHBondContact O-CB 3.46Å; I282-A285 PolarHBondContact O-N 3.28Å; I282-A285 VanDerWaalsContact O-N 3.08Å; R283-A285 VanDerWaalsContact C-N 3.25Å; R283-A285 PolarHBondContact O-N 2.91Å; A285-R289 PolarHBondContact O-N 3.32Å; A285-R289 VanDerWaalsContact O-N 3.12Å; A285-F296 HydrophobicContact CB-CE2 4.34Å
286	I	96.6	Very high	96.2	Very high	34 Å²	34	73.5 Å²	73.5	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-59.6	179.1	-59.1	166.8	0	0	0	111.2	L186 I187 I276 R283 M284 L288 R289	L186-I286 HydrophobicContact CB-CG1 4.37Å; L186-I286 HydrophobicContact CB-CG2 4.44Å; L186-I286 HydrophobicContact CD1-CD1 3.84Å; I187-I286 HydrophobicContact CG2-CG1 4.22Å; I276-I286 HydrophobicContact CD1-CD1 4.14Å; I276-I286 HydrophobicContact CG2-CD1 4.21Å; R283-I286 PolarHBondContact O-N 2.99Å; M284-I286 VanDerWaalsContact C-N 3.28Å; M284-I286 PolarHBondContact O-N 2.95Å; I286-L288 VanDerWaalsContact C-N 3.28Å; I286-L288 PolarHBondContact O-N 2.91Å; I286-R289 PolarHBondContact O-N 2.92Å
287	P	97.2	Very high	96.1	Very high	52 Å²	52	76.7 Å²	76.7	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-67.8	-29.2	175.9	28.8	-35	0	0	0	111.9	R283 M284 R289 V290 I291	R283-P287 WeakPolarHBondContact O-CD 3.47Å; M284-P287 WeakPolarHBondContact O-CD 3.48Å; P287-R289 VanDerWaalsContact C-N 3.28Å; P287-R289 PolarHBondContact O-N 3.07Å; P287-V290 PolarHBondContact O-N 3.37Å; P287-I291 HydrophobicContact CB-CD1 4.08Å; P287-I291 WeakPolarHBondContact O-CB 3.5Å; P287-I291 WeakPolarHBondContact O-CG1 3.4Å; P287-I291 PolarHBondContact O-N 3.11Å
288	L	97.1	Very high	96.1	Very high	44 Å²	44	81.4 Å²	81.4	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-59.8	-38.7	176.5	-178.4	65.8	0	0	0	112.3	M284 I286 V290 W292 L295 F296 L299	M284-L288 VanDerWaalsContact O-CB 3.22Å; M284-L288 WeakPolarHBondContact O-CB 3.37Å; M284-L288 PolarHBondContact O-N 3.28Å; I286-L288 VanDerWaalsContact C-N 3.28Å; I286-L288 PolarHBondContact O-N 2.91Å; L288-V290 PolarHBondContact O-N 2.94Å; L288-W292 HydrophobicContact CD1-CB 4.02Å; L288-W292 CarbonylContact O-C 3.46Å; L288-W292 WeakPolarHBondContact O-CA 3.47Å; L288-W292 PolarHBondContact O-N 3.45Å; L288-L295 HydrophobicContact CD1-CD2 4.05Å; L288-L295 HydrophobicContact CD1-CG 4.43Å; L288-F296 HydrophobicContact CG-CB 4.19Å; L288-L299 HydrophobicContact CD2-CD1 3.81Å
289	R	96.3	Very high	96.1	Very high	99 Å²	99	84 Å²	84	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-58.7	-36.8	174.4	179.4	-176.2	171.6	-145	-3.7	111.9	L186 I187 A285 I286 P287 P293 F296	L186-R289 PolarHBondContact O-NH1 3.39Å; I187-R289 HydrophobicContact CG2-CB 4.21Å; A285-R289 PolarHBondContact O-N 3.32Å; A285-R289 VanDerWaalsContact O-N 3.12Å; I286-R289 PolarHBondContact O-N 2.92Å; P287-R289 VanDerWaalsContact C-N 3.28Å; P287-R289 PolarHBondContact O-N 3.07Å; R289-P293 WeakPolarHBondContact O-CB 3.39Å; R289-F296 HydrophobicContact CB-CD1 4.16Å; R289-F296 HydrophobicContact CB-CD2 3.98Å; R289-F296 HydrophobicContact CB-CE1 4.38Å; R289-F296 HydrophobicContact CB-CE2 4.2Å; R289-F296 HydrophobicContact CB-CG 3.97Å; R289-F296 HydrophobicContact CB-CZ 4.41Å; R289-F296 HydrophobicContact CG-CD1 4.09Å; R289-F296 HydrophobicContact CG-CE1 4.17Å; R289-F296 HydrophobicContact CG-CG 4.4Å
290	V	96.5	Very high	96.2	Very high	116 Å²	116	82.3 Å²	82.3	70%	0.703	41%	0.406	S	S	*	.	H	α-helix	trans	-81.7	-48.9	-177.8	-179.2	0	0	0	0	111.4	P287 L288	P287-V290 PolarHBondContact O-N 3.37Å; L288-V290 PolarHBondContact O-N 2.94Å
291	I	97.6	Very high	96.3	Very high	138 Å²	138	86.2 Å²	86.2	71%	0.708	41%	0.405	S	S	*	.	H	α-helix	trans	-78.8	-38.3	-171.6	-62.1	170	0	0	0	111.6	P287	P287-I291 HydrophobicContact CB-CD1 4.08Å; P287-I291 WeakPolarHBondContact O-CB 3.5Å; P287-I291 WeakPolarHBondContact O-CG1 3.4Å; P287-I291 PolarHBondContact O-N 3.11Å
292	W	97.4	Very high	96.5	Very high	143 Å²	143	80.8 Å²	80.8	54%	0.542	39%	0.387	S	S	.	.			trans	-140	69.1	-177	-163	-4.6	0	0	0	111.7	L288 S294 L295 F296	L288-W292 HydrophobicContact CD1-CB 4.02Å; L288-W292 CarbonylContact O-C 3.46Å; L288-W292 WeakPolarHBondContact O-CA 3.47Å; L288-W292 PolarHBondContact O-N 3.45Å; W292-S294 VanDerWaalsContact C-N 3.28Å; W292-S294 PolarHBondContact NE1-OG 3.18Å; W292-S294 PolarHBondContact O-N 3.31Å; W292-L295 HydrophobicContact CB-CB 4.27Å; W292-L295 HydrophobicContact CD2-CB 3.53Å; W292-L295 HydrophobicContact CD2-CD2 3.74Å; W292-L295 HydrophobicContact CD2-CG 4.28Å; W292-L295 HydrophobicContact CE3-CB 4.14Å; W292-L295 HydrophobicContact CE3-CD2 3.4Å; W292-L295 HydrophobicContact CE3-CG 4.4Å; W292-L295 HydrophobicContact CG-CB 3.57Å; W292-L295 HydrophobicContact CG-CD2 4.44Å; W292-L295 HydrophobicContact CH2-CD2 4.11Å; W292-L295 HydrophobicContact CZ2-CB 4.33Å; W292-L295 HydrophobicContact CZ2-CD2 4.41Å; W292-L295 HydrophobicContact CZ3-CD2 3.6Å; W292-L295 PolarHBondContact O-N 3.47Å; W292-L295 VanDerWaalsContact O-N 3.15Å; W292-F296 PolarHBondContact O-N 2.9Å
293	P	96.9	Very high	96.5	Very high	60 Å²	60	85 Å²	85	39%	0.39	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-36.2	-174.7	20.4	-32.5	0	0	0	113.2	R289 L295 F296 F297	R289-P293 WeakPolarHBondContact O-CB 3.39Å; P293-L295 PolarHBondContact O-N 3.32Å; P293-F296 PolarHBondContact O-N 2.89Å; P293-F297 HydrophobicContact CB-CD2 4.22Å; P293-F297 HydrophobicContact CB-CE2 4.13Å; P293-F297 WeakPolarHBondContact O-CB 3.26Å; P293-F297 WeakPolarHBondContact O-CD2 3.12Å; P293-F297 PolarHBondContact O-N 2.99Å
294	S	97.6	Very high	96.3	Very high	77 Å²	77	79.3 Å²	79.3	54%	0.538	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-41.5	178.6	55.4	0	0	0	0	112.6	W292 W298	W292-S294 VanDerWaalsContact C-N 3.28Å; W292-S294 PolarHBondContact NE1-OG 3.18Å; W292-S294 PolarHBondContact O-N 3.31Å; S294-W298 WeakPolarHBondContact O-CB 3.13Å; S294-W298 PolarHBondContact O-N 2.88Å
295	L	97.1	Very high	96.2	Very high	49 Å²	49	75 Å²	75	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-44.1	173.6	178.6	58.8	0	0	0	111.5	L288 W292 P293 F297 W298 L299	L288-L295 HydrophobicContact CD1-CD2 4.05Å; L288-L295 HydrophobicContact CD1-CG 4.43Å; W292-L295 HydrophobicContact CB-CB 4.27Å; W292-L295 HydrophobicContact CD2-CB 3.53Å; W292-L295 HydrophobicContact CD2-CD2 3.74Å; W292-L295 HydrophobicContact CD2-CG 4.28Å; W292-L295 HydrophobicContact CE3-CB 4.14Å; W292-L295 HydrophobicContact CE3-CD2 3.4Å; W292-L295 HydrophobicContact CE3-CG 4.4Å; W292-L295 HydrophobicContact CG-CB 3.57Å; W292-L295 HydrophobicContact CG-CD2 4.44Å; W292-L295 HydrophobicContact CH2-CD2 4.11Å; W292-L295 HydrophobicContact CZ2-CB 4.33Å; W292-L295 HydrophobicContact CZ2-CD2 4.41Å; W292-L295 HydrophobicContact CZ3-CD2 3.6Å; W292-L295 PolarHBondContact O-N 3.47Å; W292-L295 VanDerWaalsContact O-N 3.15Å; P293-L295 PolarHBondContact O-N 3.32Å; L295-F297 PolarHBondContact O-N 3.33Å; L295-W298 HydrophobicContact CD1-CE3 3.96Å; L295-W298 HydrophobicContact CD1-CZ3 4.46Å; L295-W298 WeakPolarHBondContact O-CB 3.42Å; L295-W298 PolarHBondContact O-N 3.16Å; L295-L299 WeakPolarHBondContact O-CG 3.22Å; L295-L299 PolarHBondContact O-N 3.38Å
296	F	97.4	Very high	96	Very high	4 Å²	4	83 Å²	83	2%	0.018	40%	0.397	C	S	.	.	H	α-helix	trans	-55.8	-51.5	175.6	175.5	-95	0	0	0	111.7	I187 A285 L288 R289 W292 P293 W298 L299 M300	I187-F296 HydrophobicContact CB-CE2 4.34Å; I187-F296 HydrophobicContact CB-CZ 4.08Å; I187-F296 HydrophobicContact CG2-CE2 4.19Å; I187-F296 HydrophobicContact CG2-CZ 4.26Å; A285-F296 HydrophobicContact CB-CE2 4.34Å; L288-F296 HydrophobicContact CG-CB 4.19Å; R289-F296 HydrophobicContact CB-CD1 4.16Å; R289-F296 HydrophobicContact CB-CD2 3.98Å; R289-F296 HydrophobicContact CB-CE1 4.38Å; R289-F296 HydrophobicContact CB-CE2 4.2Å; R289-F296 HydrophobicContact CB-CG 3.97Å; R289-F296 HydrophobicContact CB-CZ 4.41Å; R289-F296 HydrophobicContact CG-CD1 4.09Å; R289-F296 HydrophobicContact CG-CE1 4.17Å; R289-F296 HydrophobicContact CG-CG 4.4Å; W292-F296 PolarHBondContact O-N 2.9Å; P293-F296 PolarHBondContact O-N 2.89Å; F296-W298 VanDerWaalsContact C-N 3.32Å; F296-W298 PolarHBondContact O-N 3.4Å; F296-L299 WeakPolarHBondContact O-CB 3.29Å; F296-L299 PolarHBondContact O-N 2.89Å; F296-L299 VanDerWaalsContact O-N 3.17Å; F296-M300 HydrophobicContact CD1-CG 4.22Å; F296-M300 HydrophobicContact CE1-CG 3.7Å; F296-M300 HydrophobicContact CE2-CE 4.22Å; F296-M300 HydrophobicContact CE2-CG 4.37Å; F296-M300 HydrophobicContact CZ-CE 4.41Å; F296-M300 HydrophobicContact CZ-CG 3.78Å; F296-M300 HydrophobicContact CZ-SD 4.13Å; F296-M300 WeakPolarHBondContact O-CG 3.44Å; F296-M300 PolarHBondContact O-N 3.18Å
297	F	96.9	Very high	95.4	Very high	110 Å²	110	83.3 Å²	83.3	48%	0.482	40%	0.4	S	S	.	.	H	α-helix	trans	-71	-26.5	-179.5	-70.3	-59.4	0	0	0	112.8	P293 L295 M300 R301	P293-F297 HydrophobicContact CB-CD2 4.22Å; P293-F297 HydrophobicContact CB-CE2 4.13Å; P293-F297 WeakPolarHBondContact O-CB 3.26Å; P293-F297 WeakPolarHBondContact O-CD2 3.12Å; P293-F297 PolarHBondContact O-N 2.99Å; L295-F297 PolarHBondContact O-N 3.33Å; F297-M300 PolarHBondContact O-N 2.93Å; F297-R301 WeakPolarHBondContact O-CG 2.98Å; F297-R301 PolarHBondContact O-N 2.75Å; F297-R301 PolarHBondContact O-NE 3.14Å
298	W	97.2	Very high	94.9	Very high	118 Å²	118	88.2 Å²	88.2	45%	0.447	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-47	166.7	178	87.4	0	0	0	111.7	S294 L295 F296 M300 R301 Q302	S294-W298 WeakPolarHBondContact O-CB 3.13Å; S294-W298 PolarHBondContact O-N 2.88Å; L295-W298 HydrophobicContact CD1-CE3 3.96Å; L295-W298 HydrophobicContact CD1-CZ3 4.46Å; L295-W298 WeakPolarHBondContact O-CB 3.42Å; L295-W298 PolarHBondContact O-N 3.16Å; F296-W298 VanDerWaalsContact C-N 3.32Å; F296-W298 PolarHBondContact O-N 3.4Å; W298-M300 VanDerWaalsContact C-N 3.31Å; W298-M300 PolarHBondContact O-N 3.3Å; W298-R301 WeakPolarHBondContact O-CB 3.28Å; W298-R301 PolarHBondContact O-N 3.26Å; W298-Q302 HydrophobicContact CD2-CG 4.15Å; W298-Q302 HydrophobicContact CE3-CG 4.44Å; W298-Q302 HydrophobicContact CH2-CG 4.22Å; W298-Q302 HydrophobicContact CZ2-CG 3.9Å; W298-Q302 HydrophobicContact CZ3-CG 4.48Å; W298-Q302 WeakPolarHBondContact O-CG 3.49Å; W298-Q302 PolarHBondContact O-N 2.73Å
299	L	96.2	Very high	94.5	Very high	69 Å²	69	88 Å²	88	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-60.6	-39.3	175.3	-69.6	171	0	0	0	112.2	L288 L295 F296 Q302 R303	L288-L299 HydrophobicContact CD2-CD1 3.81Å; L295-L299 WeakPolarHBondContact O-CG 3.22Å; L295-L299 PolarHBondContact O-N 3.38Å; F296-L299 WeakPolarHBondContact O-CB 3.29Å; F296-L299 PolarHBondContact O-N 2.89Å; F296-L299 VanDerWaalsContact O-N 3.17Å; L299-Q302 PolarHBondContact O-N 2.99Å; L299-R303 WeakPolarHBondContact O-CB 3.43Å; L299-R303 PolarHBondContact O-N 3.37Å
300	M	95.8	Very high	93.8	Very high	36 Å²	36	89.7 Å²	89.7	18%	0.177	42%	0.423	C	S	.	.	H	α-helix	trans	-66.7	-38.4	176.5	-67.7	-53.8	103.4	0	0	112.3	I189 F296 F297 W298 R303 A304	I189-M300 HydrophobicContact CG2-SD 4.1Å; F296-M300 HydrophobicContact CD1-CG 4.22Å; F296-M300 HydrophobicContact CE1-CG 3.7Å; F296-M300 HydrophobicContact CE2-CE 4.22Å; F296-M300 HydrophobicContact CE2-CG 4.37Å; F296-M300 HydrophobicContact CZ-CE 4.41Å; F296-M300 HydrophobicContact CZ-CG 3.78Å; F296-M300 HydrophobicContact CZ-SD 4.13Å; F296-M300 WeakPolarHBondContact O-CG 3.44Å; F296-M300 PolarHBondContact O-N 3.18Å; F297-M300 PolarHBondContact O-N 2.93Å; W298-M300 VanDerWaalsContact C-N 3.31Å; W298-M300 PolarHBondContact O-N 3.3Å; M300-R303 PolarHBondContact O-N 3.03Å; M300-A304 PolarHBondContact O-N 3.41Å
301	R	96.2	Very high	92.8	Very high	158 Å²	158	88.5 Å²	88.5	60%	0.596	41%	0.412	S	S	*	.	H	α-helix	trans	-61.4	-45.2	172.1	-76.6	-179.3	-71.7	159.2	-5.1	111.6	F297 W298 R303 A304 A305	F297-R301 WeakPolarHBondContact O-CG 2.98Å; F297-R301 PolarHBondContact O-N 2.75Å; F297-R301 PolarHBondContact O-NE 3.14Å; W298-R301 WeakPolarHBondContact O-CB 3.28Å; W298-R301 PolarHBondContact O-N 3.26Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 3.31Å; R301-A304 PolarHBondContact O-N 3.27Å; R301-A305 PolarHBondContact O-N 3.06Å
302	Q	95.3	Very high	92	Very high	75 Å²	75	88.2 Å²	88.2	35%	0.35	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-41.9	175.7	-68.2	-62.2	-19.1	0	0	111.8	W298 L299 A305 R306	W298-Q302 HydrophobicContact CD2-CG 4.15Å; W298-Q302 HydrophobicContact CE3-CG 4.44Å; W298-Q302 HydrophobicContact CH2-CG 4.22Å; W298-Q302 HydrophobicContact CZ2-CG 3.9Å; W298-Q302 HydrophobicContact CZ3-CG 4.48Å; W298-Q302 WeakPolarHBondContact O-CG 3.49Å; W298-Q302 PolarHBondContact O-N 2.73Å; L299-Q302 PolarHBondContact O-N 2.99Å; Q302-A305 PolarHBondContact O-N 3.39Å; Q302-R306 WeakPolarHBondContact O-CG 3.26Å; Q302-R306 PolarHBondContact O-N 3.38Å; Q302-R306 VanDerWaalsContact O-N 3.07Å
303	R	93.5	Very high	91.3	Very high	111 Å²	111	88 Å²	88	42%	0.419	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-46.8	175.1	-175.2	180	175.4	99.6	0.6	111.9	L299 M300 R301 A305 R306 T307	L299-R303 WeakPolarHBondContact O-CB 3.43Å; L299-R303 PolarHBondContact O-N 3.37Å; M300-R303 PolarHBondContact O-N 3.03Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 3.31Å; R303-A305 VanDerWaalsContact C-N 3.33Å; R303-A305 PolarHBondContact O-N 3.47Å; R303-R306 PolarHBondContact O-N 3Å; R303-T307 PolarHBondContact O-N 3.05Å; R303-T307 PolarHBondContact O-OG1 3.35Å
304	A	93.1	Very high	90.2	Very high	24 Å²	24	89.6 Å²	89.6	20%	0.198	42%	0.416	C	S	.	.	H	α-helix	trans	-61.2	-41	177.4	0	0	0	0	0	112.1	P190 M300 R301 T307 R308	P190-A304 HydrophobicContact CB-CB 4.02Å; P190-A304 HydrophobicContact CG-CB 3.76Å; M300-A304 PolarHBondContact O-N 3.41Å; R301-A304 PolarHBondContact O-N 3.27Å; A304-T307 PolarHBondContact O-N 3Å; A304-R308 WeakPolarHBondContact O-CG 3.37Å; A304-R308 PolarHBondContact O-N 3.18Å
305	A	93.6	Very high	89	Confident	41 Å²	41	90.6 Å²	90.6	34%	0.339	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-44.8	175.8	0	0	0	0	0	112.1	R301 Q302 R303 R308 A309	R301-A305 PolarHBondContact O-N 3.06Å; Q302-A305 PolarHBondContact O-N 3.39Å; R303-A305 VanDerWaalsContact C-N 3.33Å; R303-A305 PolarHBondContact O-N 3.47Å; A305-R308 PolarHBondContact O-N 3.24Å; A305-A309 PolarHBondContact O-N 3.3Å
306	R	90	Very high	87.3	Confident	186 Å²	186	96.4 Å²	96.4	70%	0.702	46%	0.46	S	S	*	.	H	α-helix	trans	-63.5	-40.2	176.3	-69	177.1	-168.9	176.4	2.7	112.9	Q302 R303 R310	Q302-R306 WeakPolarHBondContact O-CG 3.26Å; Q302-R306 PolarHBondContact O-N 3.38Å; Q302-R306 VanDerWaalsContact O-N 3.07Å; R303-R306 PolarHBondContact O-N 3Å; R306-R310 WeakPolarHBondContact O-CB 3.49Å; R306-R310 PolarHBondContact O-N 3.47Å; R306-R310 VanDerWaalsContact O-N 3.09Å
307	T	84.4	Confident	86.8	Confident	39 Å²	39	101 Å²	101	24%	0.239	48%	0.482	C	S	.	.	H	α-helix	trans	-64.8	-42.3	176.3	-51.2	0	0	0	0	111	D191 R303 A304 R310 L311	D191-T307 VanDerWaalsContact OD2-CG2 3.26Å; D191-T307 WeakPolarHBondContact OD2-CG2 3.5Å; D191-T307 PolarHBondContact OD2-OG1 3.07Å; R303-T307 PolarHBondContact O-N 3.05Å; R303-T307 PolarHBondContact O-OG1 3.35Å; A304-T307 PolarHBondContact O-N 3Å; T307-R310 PolarHBondContact O-N 3.09Å; T307-L311 HydrophobicContact CG2-CD1 4.05Å; T307-L311 HydrophobicContact CG2-CG 4.32Å; T307-L311 WeakPolarHBondContact O-CG 3.49Å; T307-L311 PolarHBondContact O-N 3.43Å
308	R	86.1	Confident	86.3	Confident	155 Å²	155	100.5 Å²	100.5	59%	0.585	48%	0.482	S	S	*	.	H	α-helix	trans	-61.1	-47	177.2	-74.1	-172.9	-64.8	-159.1	2.8	112.3	A304 A305 R310 L311 Q312	A304-R308 WeakPolarHBondContact O-CG 3.37Å; A304-R308 PolarHBondContact O-N 3.18Å; A305-R308 PolarHBondContact O-N 3.24Å; R308-R310 VanDerWaalsContact C-N 3.33Å; R308-R310 PolarHBondContact O-N 2.97Å; R308-L311 PolarHBondContact O-N 3.37Å; R308-Q312 WeakPolarHBondContact O-CG 3.05Å; R308-Q312 PolarHBondContact O-N 3.42Å
309	A	88.6	Confident	85.7	Confident	40 Å²	40	99.6 Å²	99.6	33%	0.331	48%	0.484	S	S	.	.	H	α-helix	trans	-57.7	-46.7	176.8	0	0	0	0	0	111.5	A305 L311 Q312 E313	A305-A309 PolarHBondContact O-N 3.3Å; A309-L311 PolarHBondContact O-N 2.83Å; A309-Q312 WeakPolarHBondContact O-CB 3.48Å; A309-Q312 PolarHBondContact O-N 2.73Å; A309-E313 WeakPolarHBondContact O-CG 3.36Å; A309-E313 PolarHBondContact O-N 3.28Å
310	R	82	Confident	85	Confident	134 Å²	134	101.4 Å²	101.4	51%	0.506	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.3	-178.2	-178.6	167.6	165.8	4.2	113.2	R306 T307 R308 Q312 E313 E314	R306-R310 WeakPolarHBondContact O-CB 3.49Å; R306-R310 PolarHBondContact O-N 3.47Å; R306-R310 VanDerWaalsContact O-N 3.09Å; T307-R310 PolarHBondContact O-N 3.09Å; R308-R310 VanDerWaalsContact C-N 3.33Å; R308-R310 PolarHBondContact O-N 2.97Å; R310-Q312 VanDerWaalsContact C-N 3.32Å; R310-E313 PolarHBondContact O-N 3.08Å; R310-E314 IonicContact CZ-OE1 3.42Å; R310-E314 IonicContact NE-OE1 2.83Å; R310-E314 PolarHBondContact NE-OE1 3.43Å; R310-E314 IonicContact NH2-OE1 3.11Å; R310-E314 PolarHBondContact NH2-OE1 3.21Å; R310-E314 VanDerWaalsContact NH2-OE1 3.11Å; R310-E314 WeakPolarHBondContact O-CG 3.41Å; R310-E314 PolarHBondContact O-N 2.98Å
311	L	77.2	Confident	84.4	Confident	91 Å²	91	105.4 Å²	105.4	48%	0.476	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-32.8	178.1	-71.7	173.7	0	0	0	112.1	T307 R308 A309 S315	T307-L311 HydrophobicContact CG2-CD1 4.05Å; T307-L311 HydrophobicContact CG2-CG 4.32Å; T307-L311 WeakPolarHBondContact O-CG 3.49Å; T307-L311 PolarHBondContact O-N 3.43Å; R308-L311 PolarHBondContact O-N 3.37Å; A309-L311 PolarHBondContact O-N 2.83Å; L311-S315 WeakPolarHBondContact O-CB 3.46Å; L311-S315 PolarHBondContact O-N 3.11Å; L311-S315 PolarHBondContact O-OG 2.99Å
312	Q	80.5	Confident	83.6	Confident	132 Å²	132	101.9 Å²	101.9	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-66	-45.8	173.3	-72.8	172.9	-40.5	0	0	110.7	R308 A309 R310 E314 S315 T316	R308-Q312 WeakPolarHBondContact O-CG 3.05Å; R308-Q312 PolarHBondContact O-N 3.42Å; A309-Q312 WeakPolarHBondContact O-CB 3.48Å; A309-Q312 PolarHBondContact O-N 2.73Å; R310-Q312 VanDerWaalsContact C-N 3.32Å; Q312-E314 VanDerWaalsContact C-N 3.34Å; Q312-E314 PolarHBondContact O-N 3.28Å; Q312-S315 WeakPolarHBondContact CA-OG 3.41Å; Q312-S315 PolarHBondContact O-N 3.42Å; Q312-S315 VanDerWaalsContact O-N 3.08Å; Q312-S315 PolarHBondContact O-OG 3.39Å; Q312-T316 PolarHBondContact O-N 2.98Å; Q312-T316 PolarHBondContact O-OG1 3.45Å
313	E	81.7	Confident	82.8	Confident	138 Å²	138	103.9 Å²	103.9	65%	0.645	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-36.8	174.7	-70.1	167.6	-172.6	0	0	113	A309 R310 S315 T316	A309-E313 WeakPolarHBondContact O-CG 3.36Å; A309-E313 PolarHBondContact O-N 3.28Å; R310-E313 PolarHBondContact O-N 3.08Å; E313-S315 PolarHBondContact O-N 3.29Å; E313-T316 PolarHBondContact O-OG1 3.05Å; E313-T316 VanDerWaalsContact O-OG1 3.05Å
314	E	74.9	Confident	81.9	Confident	95 Å²	95	103.3 Å²	103.3	44%	0.444	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.2	176.1	-72.3	178.6	-166	0	0	113.2	R246 R310 Q312	R246-E314 IonicContact NH1-OE2 3.98Å; R310-E314 IonicContact CZ-OE1 3.42Å; R310-E314 IonicContact NE-OE1 2.83Å; R310-E314 PolarHBondContact NE-OE1 3.43Å; R310-E314 IonicContact NH2-OE1 3.11Å; R310-E314 PolarHBondContact NH2-OE1 3.21Å; R310-E314 VanDerWaalsContact NH2-OE1 3.11Å; R310-E314 WeakPolarHBondContact O-CG 3.41Å; R310-E314 PolarHBondContact O-N 2.98Å; Q312-E314 VanDerWaalsContact C-N 3.34Å; Q312-E314 PolarHBondContact O-N 3.28Å
315	S	71.1	Confident	81	Confident	98 Å²	98	109.9 Å²	109.9	69%	0.685	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-9.4	-179.5	66.9	0	0	0	0	114.8	L311 Q312 E313	L311-S315 WeakPolarHBondContact O-CB 3.46Å; L311-S315 PolarHBondContact O-N 3.11Å; L311-S315 PolarHBondContact O-OG 2.99Å; Q312-S315 WeakPolarHBondContact CA-OG 3.41Å; Q312-S315 PolarHBondContact O-N 3.42Å; Q312-S315 VanDerWaalsContact O-N 3.08Å; Q312-S315 PolarHBondContact O-OG 3.39Å; E313-S315 PolarHBondContact O-N 3.29Å
316	T	62	Low	79.8	Confident	170 Å²	170	116.2 Å²	116.2	100%	1.043	57%	0.57	S	S	*	*			trans	-97.8	0	173.9	49.9	0	0	0	0	110.8	Q312 E313	Q312-T316 PolarHBondContact O-N 2.98Å; Q312-T316 PolarHBondContact O-OG1 3.45Å; E313-T316 PolarHBondContact O-OG1 3.05Å; E313-T316 VanDerWaalsContact O-OG1 3.05Å

Retrieved 316 of 316 residues in 366.8 ms (Link to these results)

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