A0A077Z6F3_TRITR Loading...

Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z6F3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 412 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	39.2	Very low	38.2	Very low	235 Å²	235	172.2 Å²	172.2	100%	1.158	87%	0.865	S	S	*	*				0	39.2	0	-153.2	-176	-81.8	0	0	111.8
2	W	41	Very low	38.5	Very low	258 Å²	258	166.9 Å²	166.9	98%	0.977	83%	0.833	S	S	*	*			trans	-128.7	73	-177.7	-76.9	54.6	0	0	0	108.7
3	K	40.4	Very low	38.7	Very low	213 Å²	213	162.3 Å²	162.3	93%	0.926	82%	0.819	S	S	*	*			trans	-108.4	113.1	166.8	-86.2	-172.7	175.6	-178.8	0	107.4
4	G	39.3	Very low	39.8	Very low	72 Å²	72	157.9 Å²	157.9	74%	0.742	81%	0.811	S	S	*	*			trans	85.1	70.5	152.3	0	0	0	0	0	117.4	R6	G4-R6 PolarHBondContact O-N 2.92Å
5	L	34.7	Very low	40.5	Very low	173 Å²	173	152.6 Å²	152.6	91%	0.906	80%	0.8	S	S	*	*			trans	-82.2	98.8	145.6	-110.1	81	0	0	0	107.5	L7	L5-L7 PolarHBondContact O-N 3.25Å
6	R	36.7	Very low	41.2	Very low	241 Å²	241	145.7 Å²	145.7	91%	0.909	77%	0.768	S	S	*	*			trans	-77.5	107.8	165.5	-76.5	-172.3	179.1	-155.7	0.5	107.5	G4	G4-R6 PolarHBondContact O-N 2.92Å
7	L	33.7	Very low	42	Very low	155 Å²	155	138.2 Å²	138.2	81%	0.812	73%	0.731	S	S	*	*			trans	-63.4	137.1	167.7	-91.6	122.7	0	0	0	109.5	L5 Q9	L5-L7 PolarHBondContact O-N 3.25Å; L7-Q9 PolarHBondContact O-N 2.8Å
8	P	37.9	Very low	42.7	Very low	102 Å²	102	133.1 Å²	133.1	66%	0.662	71%	0.711	S	S	*	*			trans	-62.3	127.2	177.7	23.9	-30.6	0	0	0	109.9	L10	P8-L10 VanDerWaalsContact C-N 3.32Å; P8-L10 PolarHBondContact O-N 3.13Å
9	Q	42.5	Very low	43.4	Very low	193 Å²	193	129.3 Å²	129.3	90%	0.902	70%	0.7	S	S	*	*			trans	-66.4	93.6	168.3	-82.5	-179.8	-49.4	0	0	108.2	L7 C11	L7-Q9 PolarHBondContact O-N 2.8Å; Q9-C11 PolarHBondContact O-N 3.39Å; Q9-C11 VanDerWaalsContact O-N 3.15Å
10	L	37	Very low	43.9	Very low	121 Å²	121	127.3 Å²	127.3	63%	0.634	69%	0.689	S	S	*	*			trans	-68	110	166.8	-81.9	130.8	0	0	0	108.3	P8 F12	P8-L10 VanDerWaalsContact C-N 3.32Å; P8-L10 PolarHBondContact O-N 3.13Å; L10-F12 VanDerWaalsContact C-N 3.28Å; L10-F12 HydrophobicContact CB-CD2 3.65Å; L10-F12 HydrophobicContact CB-CE2 3.23Å; L10-F12 HydrophobicContact CB-CZ 3.94Å; L10-F12 HydrophobicContact CD1-CE2 4.19Å; L10-F12 HydrophobicContact CD2-CE2 4.03Å; L10-F12 HydrophobicContact CD2-CZ 3.85Å; L10-F12 HydrophobicContact CG-CE2 4.01Å; L10-F12 HydrophobicContact CG-CZ 4.33Å; L10-F12 WeakPolarHBondContact O-CD2 3.25Å; L10-F12 PolarHBondContact O-N 2.86Å
11	C	38.3	Very low	44.4	Very low	131 Å²	131	128.6 Å²	128.6	89%	0.885	68%	0.684	S	S	*	*			trans	-66.3	84.4	170.8	-79.3	0	0	0	0	109.9	Q9	Q9-C11 PolarHBondContact O-N 3.39Å; Q9-C11 VanDerWaalsContact O-N 3.15Å
12	F	40.9	Very low	45.3	Very low	109 Å²	109	122.5 Å²	122.5	48%	0.478	66%	0.656	S	S	.	*			trans	-86.2	125.9	168.7	-69.7	-74.7	0	0	0	109.8	L10	L10-F12 VanDerWaalsContact C-N 3.28Å; L10-F12 HydrophobicContact CB-CD2 3.65Å; L10-F12 HydrophobicContact CB-CE2 3.23Å; L10-F12 HydrophobicContact CB-CZ 3.94Å; L10-F12 HydrophobicContact CD1-CE2 4.19Å; L10-F12 HydrophobicContact CD2-CE2 4.03Å; L10-F12 HydrophobicContact CD2-CZ 3.85Å; L10-F12 HydrophobicContact CG-CE2 4.01Å; L10-F12 HydrophobicContact CG-CZ 4.33Å; L10-F12 WeakPolarHBondContact O-CD2 3.25Å; L10-F12 PolarHBondContact O-N 2.86Å
13	T	41.7	Very low	46	Very low	107 Å²	107	112.7 Å²	112.7	66%	0.656	63%	0.63	S	S	*	*			trans	-57.7	147.5	173.3	51.7	0	0	0	0	110.6	A15 S16 S17	T13-A15 VanDerWaalsContact C-N 3.35Å; T13-A15 PolarHBondContact O-N 2.79Å; T13-S16 WeakPolarHBondContact O-CB 3.38Å; T13-S16 PolarHBondContact O-N 3.32Å; T13-S16 VanDerWaalsContact O-N 3.08Å; T13-S17 PolarHBondContact O-N 3.42Å
14	S	54.6	Low	46.7	Very low	101 Å²	101	106.2 Å²	106.2	71%	0.706	61%	0.608	S	S	*	*	H	α-helix	trans	-56.8	-41	-163.5	58	0	0	0	0	114.3	S17 A18	S14-S17 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-OG 3.23Å; S14-A18 PolarHBondContact O-N 2.82Å; S14-A18 VanDerWaalsContact O-N 3.1Å
15	A	49.9	Very low	47.6	Very low	78 Å²	78	105.9 Å²	105.9	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-66.1	-43	178.4	0	0	0	0	0	112.2	T13 S17 A18 A19	T13-A15 VanDerWaalsContact C-N 3.35Å; T13-A15 PolarHBondContact O-N 2.79Å; A15-S17 VanDerWaalsContact C-N 3.32Å; A15-S17 PolarHBondContact O-N 3.42Å; A15-A18 PolarHBondContact O-N 2.91Å; A15-A19 PolarHBondContact O-N 2.79Å
16	S	51.9	Low	48.6	Very low	42 Å²	42	106.2 Å²	106.2	29%	0.294	58%	0.581	S	S	.	*	H	α-helix	trans	-62.1	-41.5	173.4	162.7	0	0	0	0	110.9	T13 A18 A19 L20	T13-S16 WeakPolarHBondContact O-CB 3.38Å; T13-S16 PolarHBondContact O-N 3.32Å; T13-S16 VanDerWaalsContact O-N 3.08Å; S16-A18 VanDerWaalsContact C-N 3.35Å; S16-A18 PolarHBondContact O-N 2.82Å; S16-A19 PolarHBondContact O-N 3.12Å; S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 PolarHBondContact O-N 2.94Å
17	S	55.2	Low	49.7	Very low	19 Å²	19	106 Å²	106	13%	0.133	58%	0.58	C	S	.	*	H	α-helix	trans	-67.5	-32.4	-177.3	79.1	0	0	0	0	113.5	T13 S14 A15 R21	T13-S17 PolarHBondContact O-N 3.42Å; S14-S17 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-OG 3.23Å; A15-S17 VanDerWaalsContact C-N 3.32Å; A15-S17 PolarHBondContact O-N 3.42Å; S17-R21 WeakPolarHBondContact O-CB 3.28Å; S17-R21 VanDerWaalsContact O-CG 3.28Å; S17-R21 WeakPolarHBondContact O-CG 3.49Å; S17-R21 PolarHBondContact O-N 3.32Å; S17-R21 PolarHBondContact O-NE 2.58Å; S17-R21 PolarHBondContact OG-NH2 2.85Å
18	A	53.8	Low	51.4	Low	45 Å²	45	105.2 Å²	105.2	37%	0.372	58%	0.576	S	S	.	*	H	α-helix	trans	-73.1	-42.7	176.4	0	0	0	0	0	111.3	S14 A15 S16 R21 N22	S14-A18 PolarHBondContact O-N 2.82Å; S14-A18 VanDerWaalsContact O-N 3.1Å; A15-A18 PolarHBondContact O-N 2.91Å; S16-A18 VanDerWaalsContact C-N 3.35Å; S16-A18 PolarHBondContact O-N 2.82Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-N22 WeakPolarHBondContact O-CB 3.47Å; A18-N22 VanDerWaalsContact O-CG 3.29Å; A18-N22 PolarHBondContact O-N 3.39Å
19	A	55.4	Low	53.2	Low	62 Å²	62	106 Å²	106	51%	0.512	57%	0.571	S	S	.	*	H	α-helix	trans	-64.3	-44.8	175.9	0	0	0	0	0	111.7	A15 S16 N22 A23	A15-A19 PolarHBondContact O-N 2.79Å; S16-A19 PolarHBondContact O-N 3.12Å; A19-N22 PolarHBondContact O-N 2.93Å; A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 2.86Å
20	L	53.7	Low	55.1	Low	89 Å²	89	103.4 Å²	103.4	47%	0.466	57%	0.568	S	S	.	*	H	α-helix	trans	-64.9	-43.2	175.1	-108.7	128.1	0	0	0	112	S16 N22 A23 V24	S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 PolarHBondContact O-N 2.94Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 2.96Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-V24 WeakPolarHBondContact O-CB 3.44Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.45Å; L20-V24 PolarHBondContact O-N 2.99Å
21	R	55	Low	57.5	Low	154 Å²	154	101.7 Å²	101.7	58%	0.581	56%	0.564	S	S	*	*	H	α-helix	trans	-59	-46.9	173.3	-83.3	-173.1	-74.4	-107.2	-0.1	110.7	S17 A18 A23 V24 T25	S17-R21 WeakPolarHBondContact O-CB 3.28Å; S17-R21 VanDerWaalsContact O-CG 3.28Å; S17-R21 WeakPolarHBondContact O-CG 3.49Å; S17-R21 PolarHBondContact O-N 3.32Å; S17-R21 PolarHBondContact O-NE 2.58Å; S17-R21 PolarHBondContact OG-NH2 2.85Å; A18-R21 PolarHBondContact O-N 3.41Å; R21-A23 VanDerWaalsContact C-N 3.31Å; R21-A23 PolarHBondContact O-N 3.01Å; R21-V24 PolarHBondContact O-N 2.9Å; R21-T25 VanDerWaalsContact O-CB 3.27Å; R21-T25 WeakPolarHBondContact O-CB 3.3Å; R21-T25 PolarHBondContact O-N 3.02Å; R21-T25 PolarHBondContact O-OG1 3.03Å
22	N	57	Low	60.1	Low	108 Å²	108	98.3 Å²	98.3	58%	0.578	55%	0.545	S	S	*	.	H	α-helix	trans	-62.1	-37.9	177.4	-74.6	-9.6	0	0	0	112.4	A18 A19 L20 R26	A18-N22 WeakPolarHBondContact O-CB 3.47Å; A18-N22 VanDerWaalsContact O-CG 3.29Å; A18-N22 PolarHBondContact O-N 3.39Å; A19-N22 PolarHBondContact O-N 2.93Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 2.96Å; N22-R26 WeakPolarHBondContact O-CB 3.31Å; N22-R26 WeakPolarHBondContact O-CG 3.33Å; N22-R26 PolarHBondContact O-N 3.03Å
23	A	56.7	Low	62.6	Low	51 Å²	51	95.3 Å²	95.3	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-44.1	176.7	0	0	0	0	0	112.6	A19 L20 R21 R26 W27	A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 2.86Å; L20-A23 PolarHBondContact O-N 3.12Å; R21-A23 VanDerWaalsContact C-N 3.31Å; R21-A23 PolarHBondContact O-N 3.01Å; A23-R26 PolarHBondContact O-N 3.45Å; A23-W27 PolarHBondContact O-N 2.84Å
24	V	56.1	Low	65	Low	77 Å²	77	93.3 Å²	93.3	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-42.4	176.4	173.6	0	0	0	0	110.5	L20 R21 R26 W27 L28	L20-V24 WeakPolarHBondContact O-CB 3.44Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.45Å; L20-V24 PolarHBondContact O-N 2.99Å; R21-V24 PolarHBondContact O-N 2.9Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 3.19Å; V24-W27 PolarHBondContact O-N 2.9Å; V24-L28 HydrophobicContact CG1-CD1 3.99Å; V24-L28 WeakPolarHBondContact O-CG 3.35Å; V24-L28 PolarHBondContact O-N 3.11Å
25	T	56.5	Low	66.9	Low	65 Å²	65	91.9 Å²	91.9	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-43.6	174.3	-53	0	0	0	0	110.2	R21 W27 L28 H29	R21-T25 VanDerWaalsContact O-CB 3.27Å; R21-T25 WeakPolarHBondContact O-CB 3.3Å; R21-T25 PolarHBondContact O-N 3.02Å; R21-T25 PolarHBondContact O-OG1 3.03Å; T25-W27 VanDerWaalsContact C-N 3.3Å; T25-W27 PolarHBondContact O-N 3.01Å; T25-L28 PolarHBondContact O-N 3.27Å; T25-H29 WeakPolarHBondContact CG2-CE1 3.39Å; T25-H29 WeakPolarHBondContact CG2-ND1 3.38Å; T25-H29 PolarHBondContact O-N 3.47Å; T25-H29 VanDerWaalsContact O-N 3.1Å; T25-H29 PolarHBondContact O-ND1 3.18Å
26	R	55.7	Low	69	Low	180 Å²	180	89.3 Å²	89.3	68%	0.679	48%	0.482	S	S	*	.	H	α-helix	trans	-58.9	-38.3	173.8	-85.9	-177.4	173.1	-172.2	-6.1	113.1	N22 A23 V24 L28 H29	N22-R26 WeakPolarHBondContact O-CB 3.31Å; N22-R26 WeakPolarHBondContact O-CG 3.33Å; N22-R26 PolarHBondContact O-N 3.03Å; A23-R26 PolarHBondContact O-N 3.45Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 3.19Å; R26-L28 VanDerWaalsContact C-N 3.35Å; R26-H29 VanDerWaalsContact O-O 3.07Å
27	W	59.7	Low	71	Confident	237 Å²	237	89.9 Å²	89.9	90%	0.898	49%	0.485	S	S	*	.	H	α-helix	trans	-70.5	-29.1	177.3	-106.9	79.3	0	0	0	113.9	A23 V24 T25	A23-W27 PolarHBondContact O-N 2.84Å; V24-W27 PolarHBondContact O-N 2.9Å; T25-W27 VanDerWaalsContact C-N 3.3Å; T25-W27 PolarHBondContact O-N 3.01Å
28	L	71	Confident	72.9	Confident	138 Å²	138	93.8 Å²	93.8	72%	0.723	51%	0.509	S	S	*	.	H	α-helix	trans	-86.1	-17.5	-179.6	-70.8	170.5	0	0	0	113.5	V24 T25 R26	V24-L28 HydrophobicContact CG1-CD1 3.99Å; V24-L28 WeakPolarHBondContact O-CG 3.35Å; V24-L28 PolarHBondContact O-N 3.11Å; T25-L28 PolarHBondContact O-N 3.27Å; R26-L28 VanDerWaalsContact C-N 3.35Å
29	H	75.4	Confident	74.8	Confident	120 Å²	120	97.4 Å²	97.4	56%	0.556	52%	0.522	S	S	*	.	S	Bend	trans	-107.2	135.5	-177.1	-66.2	72.5	0	0	0	110.1	T25 R26	T25-H29 WeakPolarHBondContact CG2-CE1 3.39Å; T25-H29 WeakPolarHBondContact CG2-ND1 3.38Å; T25-H29 PolarHBondContact O-N 3.47Å; T25-H29 VanDerWaalsContact O-N 3.1Å; T25-H29 PolarHBondContact O-ND1 3.18Å; R26-H29 VanDerWaalsContact O-O 3.07Å
30	T	81.1	Confident	76.8	Confident	137 Å²	137	95.1 Å²	95.1	84%	0.84	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-59.8	123.8	163.5	-52.5	0	0	0	0	108
31	P	88.2	Confident	78.8	Confident	85 Å²	85	96.1 Å²	96.1	55%	0.552	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-60.6	153.3	-180	24.3	-32.9	0	0	0	110.7	D35	P31-D35 HydrophobicContact CB-CB 4.06Å
32	A	92.1	Very high	80.9	Confident	60 Å²	60	93.4 Å²	93.4	50%	0.496	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-62.1	150.7	171.4	0	0	0	0	0	109.4	T34 D35	A32-T34 PolarHBondContact O-N 3.07Å; A32-D35 HydrophobicContact CB-CB 4.2Å; A32-D35 VanDerWaalsContact O-CB 3.29Å; A32-D35 WeakPolarHBondContact O-CB 3.47Å; A32-D35 PolarHBondContact O-N 2.81Å
33	L	93	Very high	82.8	Confident	47 Å²	47	89.7 Å²	89.7	25%	0.246	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.8	179.6	-175.7	60.7	0	0	0	113.5	L327 Y330 N331 R334	L33-L327 HydrophobicContact CB-CD2 4.43Å; L33-L327 HydrophobicContact CD2-CD2 4.24Å; L33-L327 WeakPolarHBondContact CD2-O 3.17Å; L33-Y330 HydrophobicContact CG-CD2 4.37Å; L33-N331 HydrophobicContact CD2-CB 3.81Å; L33-R334 HydrophobicContact CD1-CG 3.53Å
34	T	93.9	Very high	84.7	Confident	65 Å²	65	90.9 Å²	90.9	40%	0.399	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.3	176.1	57.3	0	0	0	0	113.5	A32 L36 L327 Y330	A32-T34 PolarHBondContact O-N 3.07Å; T34-L36 PolarHBondContact O-N 3.17Å; T34-L327 HydrophobicContact CG2-CD2 3.8Å; T34-Y330 HydrophobicContact CG2-CD2 4.49Å
35	D	93.4	Very high	86.8	Confident	71 Å²	71	90.6 Å²	90.6	38%	0.38	48%	0.475	S	S	.	.			trans	-82.7	105.3	172.1	-168.6	28.6	0	0	0	107.4	P31 A32	P31-D35 HydrophobicContact CB-CB 4.06Å; A32-D35 HydrophobicContact CB-CB 4.2Å; A32-D35 VanDerWaalsContact O-CB 3.29Å; A32-D35 WeakPolarHBondContact O-CB 3.47Å; A32-D35 PolarHBondContact O-N 2.81Å
36	L	94.6	Very high	88.8	Confident	24 Å²	24	89.6 Å²	89.6	13%	0.126	47%	0.471	C	S	.	.			trans	-86.1	144.2	-170.1	-61.7	-178	0	0	0	110.4	T34 E40 E41 K44 F98	T34-L36 PolarHBondContact O-N 3.17Å; L36-E40 WeakPolarHBondContact CA-OE2 3.37Å; L36-E40 HydrophobicContact CB-CB 3.93Å; L36-E40 HydrophobicContact CD2-CB 4.29Å; L36-E41 HydrophobicContact CB-CG 3.67Å; L36-E41 HydrophobicContact CD1-CG 4.34Å; L36-K44 HydrophobicContact CD1-CD 3.63Å; L36-F98 HydrophobicContact CD2-CE1 3.69Å; L36-F98 HydrophobicContact CD2-CZ 4.13Å
37	S	93.3	Very high	90.8	Very high	53 Å²	53	81 Å²	81	37%	0.371	44%	0.439	S	S	.	.			trans	-64.8	162.4	165.9	81.6	0	0	0	0	110.6	D39 E40 E41	S37-D39 PolarHBondContact O-N 2.99Å; S37-E40 PolarHBondContact N-OE2 3.15Å; S37-E40 WeakPolarHBondContact O-CB 3.44Å; S37-E40 PolarHBondContact O-N 2.69Å; S37-E40 VanDerWaalsContact O-N 3.12Å; S37-E40 WeakPolarHBondContact OG-CB 3.26Å; S37-E40 VanDerWaalsContact OG-CG 3.25Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 3.45Å; S37-E41 WeakPolarHBondContact O-CG 3.17Å; S37-E41 PolarHBondContact O-N 2.78Å
38	T	95.1	Very high	92.7	Very high	101 Å²	101	71.2 Å²	71.2	62%	0.62	41%	0.409	S	S	*	.	H	α-helix	trans	-54.8	-42.4	176	-52.2	0	0	0	0	111.9	E40 E41 I42	T38-E40 VanDerWaalsContact C-N 3.35Å; T38-E41 PolarHBondContact O-N 2.82Å; T38-I42 HydrophobicContact CG2-CD1 4.09Å; T38-I42 VanDerWaalsContact O-CG1 3.28Å; T38-I42 WeakPolarHBondContact O-CG1 3.46Å; T38-I42 PolarHBondContact O-N 3.46Å
39	D	93.9	Very high	94	Very high	122 Å²	122	70.4 Å²	70.4	65%	0.652	40%	0.399	S	S	*	.	H	α-helix	trans	-68.7	-36.5	-179.7	-62.6	-26.2	0	0	0	111.4	S37 I42 M43	S37-D39 PolarHBondContact O-N 2.99Å; D39-I42 PolarHBondContact O-N 3.36Å; D39-M43 WeakPolarHBondContact O-CB 3.01Å; D39-M43 PolarHBondContact O-N 2.84Å
40	E	96.4	Very high	95.1	Very high	13 Å²	13	65.2 Å²	65.2	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-67.8	-36.6	174.1	-72	169.2	178.3	0	0	112.3	L36 S37 T38 K44 F98 Q102 R334	L36-E40 WeakPolarHBondContact CA-OE2 3.37Å; L36-E40 HydrophobicContact CB-CB 3.93Å; L36-E40 HydrophobicContact CD2-CB 4.29Å; S37-E40 PolarHBondContact N-OE2 3.15Å; S37-E40 WeakPolarHBondContact O-CB 3.44Å; S37-E40 PolarHBondContact O-N 2.69Å; S37-E40 VanDerWaalsContact O-N 3.12Å; S37-E40 WeakPolarHBondContact OG-CB 3.26Å; S37-E40 VanDerWaalsContact OG-CG 3.25Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 3.45Å; T38-E40 VanDerWaalsContact C-N 3.35Å; E40-K44 VanDerWaalsContact O-CB 3.23Å; E40-K44 WeakPolarHBondContact O-CB 3.45Å; E40-K44 PolarHBondContact O-N 2.86Å; E40-F98 HydrophobicContact CG-CD1 4.04Å; E40-F98 HydrophobicContact CG-CE1 4.41Å; E40-Q102 PolarHBondContact O-NE2 3.32Å; E40-R334 IonicContact OE1-CZ 2.69Å; E40-R334 IonicContact OE1-NH1 3.51Å; E40-R334 PolarHBondContact OE1-NH1 3.34Å; E40-R334 IonicContact OE1-NH2 3.55Å; E40-R334 PolarHBondContact OE1-NH2 2.92Å; E40-R334 IonicContact OE2-NH2 2.76Å; E40-R334 PolarHBondContact OE2-NH2 2.94Å
41	E	97.5	Very high	96	Very high	110 Å²	110	58.7 Å²	58.7	51%	0.514	34%	0.335	S	S	.	.	H	α-helix	trans	-66.4	-40.7	172.6	-70.8	-172	158	0	0	111.7	L36 S37 T38 S45	L36-E41 HydrophobicContact CB-CG 3.67Å; L36-E41 HydrophobicContact CD1-CG 4.34Å; S37-E41 WeakPolarHBondContact O-CG 3.17Å; S37-E41 PolarHBondContact O-N 2.78Å; T38-E41 PolarHBondContact O-N 2.82Å; E41-S45 VanDerWaalsContact O-CB 3.27Å; E41-S45 WeakPolarHBondContact O-CB 3.37Å; E41-S45 PolarHBondContact O-N 2.93Å; E41-S45 PolarHBondContact O-OG 3.38Å
42	I	97.5	Very high	96.4	Very high	98 Å²	98	62.1 Å²	62.1	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-48	175.4	-69.6	166.3	0	0	0	110.1	T38 D39 K44 S45 S46	T38-I42 HydrophobicContact CG2-CD1 4.09Å; T38-I42 VanDerWaalsContact O-CG1 3.28Å; T38-I42 WeakPolarHBondContact O-CG1 3.46Å; T38-I42 PolarHBondContact O-N 3.46Å; D39-I42 PolarHBondContact O-N 3.36Å; I42-K44 PolarHBondContact O-N 3Å; I42-S45 PolarHBondContact O-N 2.58Å; I42-S45 PolarHBondContact O-OG 2.94Å; I42-S45 VanDerWaalsContact O-OG 3.05Å; I42-S46 VanDerWaalsContact O-CB 3.23Å; I42-S46 WeakPolarHBondContact O-CB 3.46Å; I42-S46 PolarHBondContact O-N 3.45Å
43	M	97.2	Very high	96.8	Very high	30 Å²	30	64.4 Å²	64.4	15%	0.148	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-47.1	178.9	-174.5	60.9	70.3	0	0	111.7	D39 S47 F81 A95 V103	D39-M43 WeakPolarHBondContact O-CB 3.01Å; D39-M43 PolarHBondContact O-N 2.84Å; M43-S47 WeakPolarHBondContact O-CB 3.43Å; M43-S47 PolarHBondContact O-N 3.19Å; M43-S47 PolarHBondContact O-OG 3.46Å; M43-F81 HydrophobicContact SD-CD1 4.23Å; M43-F81 HydrophobicContact SD-CE1 3.94Å; M43-A95 HydrophobicContact CE-CB 4.26Å; M43-V103 HydrophobicContact CG-CG2 3.72Å; M43-V103 HydrophobicContact SD-CG2 3.55Å; M43-V103 VanDerWaalsContact SD-CG2 3.55Å
44	K	98	Very high	97	Very high	75 Å²	75	65.9 Å²	65.9	33%	0.326	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-47	176.8	-176.8	-175.6	175.1	-169	0	112.1	L36 E40 I42 S47 A48 E106	L36-K44 HydrophobicContact CD1-CD 3.63Å; E40-K44 VanDerWaalsContact O-CB 3.23Å; E40-K44 WeakPolarHBondContact O-CB 3.45Å; E40-K44 PolarHBondContact O-N 2.86Å; I42-K44 PolarHBondContact O-N 3Å; K44-S47 PolarHBondContact O-OG 3.23Å; K44-S47 VanDerWaalsContact O-OG 3.05Å; K44-A48 WeakPolarHBondContact O-CB 3.42Å; K44-A48 PolarHBondContact O-N 2.9Å; K44-E106 WeakPolarHBondContact CE-OE1 3.16Å; K44-E106 HydrophobicContact CG-CG 3.89Å; K44-E106 VanDerWaalsContact CG-OE1 3.3Å; K44-E106 WeakPolarHBondContact CG-OE1 3.4Å
45	S	98.4	Very high	97.3	Very high	71 Å²	71	62.8 Å²	62.8	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-38.5	-178.3	59.4	0	0	0	0	112.5	E41 I42 K49	E41-S45 VanDerWaalsContact O-CB 3.27Å; E41-S45 WeakPolarHBondContact O-CB 3.37Å; E41-S45 PolarHBondContact O-N 2.93Å; E41-S45 PolarHBondContact O-OG 3.38Å; I42-S45 PolarHBondContact O-N 2.58Å; I42-S45 PolarHBondContact O-OG 2.94Å; I42-S45 VanDerWaalsContact O-OG 3.05Å; S45-K49 VanDerWaalsContact O-CB 3.31Å; S45-K49 WeakPolarHBondContact O-CB 3.39Å; S45-K49 PolarHBondContact O-N 3.02Å
46	S	98.4	Very high	97.5	Very high	44 Å²	44	60.8 Å²	60.8	31%	0.308	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-49.8	175.1	-175.4	0	0	0	0	111.6	I42 K49 F50	I42-S46 VanDerWaalsContact O-CB 3.23Å; I42-S46 WeakPolarHBondContact O-CB 3.46Å; I42-S46 PolarHBondContact O-N 3.45Å; S46-K49 PolarHBondContact O-N 3.16Å; S46-F50 PolarHBondContact O-N 3.47Å
47	S	98.7	Very high	97.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-40.6	177.8	53.8	0	0	0	0	112.7	M43 K44 K49 F50 A51	M43-S47 WeakPolarHBondContact O-CB 3.43Å; M43-S47 PolarHBondContact O-N 3.19Å; M43-S47 PolarHBondContact O-OG 3.46Å; K44-S47 PolarHBondContact O-OG 3.23Å; K44-S47 VanDerWaalsContact O-OG 3.05Å; S47-K49 VanDerWaalsContact C-N 3.35Å; S47-K49 PolarHBondContact O-N 3.12Å; S47-F50 PolarHBondContact O-N 3.13Å; S47-A51 VanDerWaalsContact O-CB 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.45Å; S47-A51 PolarHBondContact O-N 3.03Å
48	A	98.8	Very high	97.9	Very high	32 Å²	32	63.4 Å²	63.4	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-41.2	174.5	0	0	0	0	0	112.3	K44 K52 E106	K44-A48 WeakPolarHBondContact O-CB 3.42Å; K44-A48 PolarHBondContact O-N 2.9Å; A48-K52 VanDerWaalsContact O-CB 3.31Å; A48-K52 WeakPolarHBondContact O-CB 3.35Å; A48-K52 PolarHBondContact O-N 3.11Å; A48-E106 HydrophobicContact CB-CB 4.31Å; A48-E106 HydrophobicContact CB-CG 4.17Å; A48-E106 WeakPolarHBondContact CB-OE2 3.37Å
49	K	98.8	Very high	98.1	Very high	121 Å²	121	59 Å²	59	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-49.1	176.3	-174.4	-179.3	177.8	-176.8	0	111	S45 S46 S47 A51 K52 E53	S45-K49 VanDerWaalsContact O-CB 3.31Å; S45-K49 WeakPolarHBondContact O-CB 3.39Å; S45-K49 PolarHBondContact O-N 3.02Å; S46-K49 PolarHBondContact O-N 3.16Å; S47-K49 VanDerWaalsContact C-N 3.35Å; S47-K49 PolarHBondContact O-N 3.12Å; K49-A51 PolarHBondContact O-N 3.31Å; K49-K52 PolarHBondContact O-N 3.25Å; K49-E53 VanDerWaalsContact CE-CD 3.46Å; K49-E53 WeakPolarHBondContact CE-OE1 3.47Å; K49-E53 WeakPolarHBondContact CE-OE2 3.09Å; K49-E53 HydrophobicContact CG-CG 4.25Å; K49-E53 WeakPolarHBondContact O-CB 3.46Å; K49-E53 PolarHBondContact O-N 2.89Å
50	F	98.9	Very high	98.3	Very high	10 Å²	10	57 Å²	57	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-57.9	-48.4	176.5	175.4	-95.1	0	0	0	111.7	S46 S47 K52 I54 V55 L76 N79 F81 L107	S46-F50 PolarHBondContact O-N 3.47Å; S47-F50 PolarHBondContact O-N 3.13Å; F50-K52 VanDerWaalsContact C-N 3.34Å; F50-K52 PolarHBondContact O-N 2.63Å; F50-I54 HydrophobicContact CD2-CB 3.93Å; F50-I54 HydrophobicContact CD2-CG1 3.7Å; F50-I54 HydrophobicContact CD2-CG2 4.38Å; F50-I54 HydrophobicContact CE2-CB 3.83Å; F50-I54 HydrophobicContact CE2-CG1 3.93Å; F50-I54 HydrophobicContact CE2-CG2 3.77Å; F50-I54 HydrophobicContact CG-CB 4.5Å; F50-I54 HydrophobicContact CG-CG1 4.47Å; F50-I54 HydrophobicContact CZ-CB 4.32Å; F50-I54 HydrophobicContact CZ-CG2 4.12Å; F50-I54 WeakPolarHBondContact O-CA 3.4Å; F50-I54 VanDerWaalsContact O-CB 3.29Å; F50-I54 WeakPolarHBondContact O-CB 3.47Å; F50-I54 PolarHBondContact O-N 2.85Å; F50-V55 HydrophobicContact CD1-CG2 4.08Å; F50-V55 HydrophobicContact CE1-CG2 3.62Å; F50-V55 HydrophobicContact CZ-CG2 4.29Å; F50-V55 PolarHBondContact O-N 3.31Å; F50-L76 HydrophobicContact CD1-CD2 4.41Å; F50-L76 HydrophobicContact CE1-CD2 3.63Å; F50-L76 HydrophobicContact CE1-CG 4.22Å; F50-L76 HydrophobicContact CZ-CD2 4.23Å; F50-L76 HydrophobicContact CZ-CG 4.36Å; F50-N79 WeakPolarHBondContact CD2-ND2 3.41Å; F50-F81 HydrophobicContact CB-CE2 3.81Å; F50-F81 HydrophobicContact CB-CZ 4.42Å; F50-F81 HydrophobicContact CD1-CD2 4.24Å; F50-F81 AromaticContact CD1-CE2 3.89Å; F50-F81 HydrophobicContact CD1-CE2 3.89Å; F50-F81 AromaticContact CG-CE2 3.81Å; F50-F81 HydrophobicContact CG-CE2 3.81Å; F50-L107 HydrophobicContact CD1-CD2 3.85Å; F50-L107 HydrophobicContact CE1-CD2 4.08Å
51	A	98.9	Very high	98.4	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.008	33%	0.332	C	S	.	.	I	π-helix	trans	-57.2	-49.1	177.6	0	0	0	0	0	110.6	S47 K49 V55 G56 E106 L107 V110	S47-A51 VanDerWaalsContact O-CB 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.45Å; S47-A51 PolarHBondContact O-N 3.03Å; K49-A51 PolarHBondContact O-N 3.31Å; A51-V55 VanDerWaalsContact O-CB 3.26Å; A51-V55 WeakPolarHBondContact O-CB 3.48Å; A51-V55 PolarHBondContact O-N 3.44Å; A51-G56 PolarHBondContact O-N 2.94Å; A51-E106 WeakPolarHBondContact CB-O 3.45Å; A51-L107 HydrophobicContact CB-CD2 4.19Å; A51-V110 HydrophobicContact CB-CB 4.1Å; A51-V110 HydrophobicContact CB-CG2 3.64Å; A51-V110 WeakPolarHBondContact O-CG1 3.41Å
52	K	98.6	Very high	98.4	Very high	156 Å²	156	56.6 Å²	56.6	68%	0.678	31%	0.308	S	S	*	.	I	π-helix	trans	-68.8	-46.9	-177.1	-175.6	-179.7	177.5	-176	0	113.3	A48 K49 F50	A48-K52 VanDerWaalsContact O-CB 3.31Å; A48-K52 WeakPolarHBondContact O-CB 3.35Å; A48-K52 PolarHBondContact O-N 3.11Å; K49-K52 PolarHBondContact O-N 3.25Å; F50-K52 VanDerWaalsContact C-N 3.34Å; F50-K52 PolarHBondContact O-N 2.63Å
53	E	98.6	Very high	98.5	Very high	109 Å²	109	52.3 Å²	52.3	51%	0.509	29%	0.286	S	S	.	.	I	π-helix	trans	-88.4	-33.6	-168.4	-65.3	-179.6	-175.7	0	0	112.9	K49 P57	K49-E53 VanDerWaalsContact CE-CD 3.46Å; K49-E53 WeakPolarHBondContact CE-OE1 3.47Å; K49-E53 WeakPolarHBondContact CE-OE2 3.09Å; K49-E53 HydrophobicContact CG-CG 4.25Å; K49-E53 WeakPolarHBondContact O-CB 3.46Å; K49-E53 PolarHBondContact O-N 2.89Å; E53-P57 WeakPolarHBondContact O-CD 3.17Å; E53-P57 WeakPolarHBondContact O-CG 3.2Å
54	I	98.7	Very high	98.5	Very high	77 Å²	77	56.5 Å²	56.5	40%	0.395	31%	0.305	S	S	.	.	I	π-helix	trans	-99.9	-49.7	-177	-51.3	-57	0	0	0	110.9	F50 L58	F50-I54 HydrophobicContact CD2-CB 3.93Å; F50-I54 HydrophobicContact CD2-CG1 3.7Å; F50-I54 HydrophobicContact CD2-CG2 4.38Å; F50-I54 HydrophobicContact CE2-CB 3.83Å; F50-I54 HydrophobicContact CE2-CG1 3.93Å; F50-I54 HydrophobicContact CE2-CG2 3.77Å; F50-I54 HydrophobicContact CG-CB 4.5Å; F50-I54 HydrophobicContact CG-CG1 4.47Å; F50-I54 HydrophobicContact CZ-CB 4.32Å; F50-I54 HydrophobicContact CZ-CG2 4.12Å; F50-I54 WeakPolarHBondContact O-CA 3.4Å; F50-I54 VanDerWaalsContact O-CB 3.29Å; F50-I54 WeakPolarHBondContact O-CB 3.47Å; F50-I54 PolarHBondContact O-N 2.85Å; I54-L58 WeakPolarHBondContact O-CD1 3.37Å
55	V	98.8	Very high	98.4	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	32%	0.317	C	S	.	.	I	π-helix	trans	-77.3	-45.8	-177	-176.5	0	0	0	0	111.2	F50 A51 L58 V59 M62 V72 V110 D111 V114	F50-V55 HydrophobicContact CD1-CG2 4.08Å; F50-V55 HydrophobicContact CE1-CG2 3.62Å; F50-V55 HydrophobicContact CZ-CG2 4.29Å; F50-V55 PolarHBondContact O-N 3.31Å; A51-V55 VanDerWaalsContact O-CB 3.26Å; A51-V55 WeakPolarHBondContact O-CB 3.48Å; A51-V55 PolarHBondContact O-N 3.44Å; V55-L58 PolarHBondContact O-N 2.86Å; V55-V59 HydrophobicContact CG1-CG2 4.1Å; V55-V59 WeakPolarHBondContact O-CG2 3.31Å; V55-V59 PolarHBondContact O-N 2.83Å; V55-M62 HydrophobicContact CG1-CE 4.03Å; V55-V72 HydrophobicContact CG2-CG1 3.9Å; V55-V72 HydrophobicContact CG2-CG2 4.39Å; V55-V110 HydrophobicContact CB-CG1 4.17Å; V55-V110 HydrophobicContact CG1-CG1 4.01Å; V55-D111 HydrophobicContact CG1-CB 3.95Å; V55-V114 HydrophobicContact CG1-CB 4.37Å; V55-V114 HydrophobicContact CG1-CG2 3.68Å; V55-V114 HydrophobicContact CG2-CG1 4.24Å
56	G	98.6	Very high	98.4	Very high	28 Å²	28	56.5 Å²	56.5	29%	0.289	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-47.6	-52.2	-174.1	0	0	0	0	0	115.1	A51 L58 V59	A51-G56 PolarHBondContact O-N 2.94Å; G56-L58 PolarHBondContact O-N 2.79Å; G56-L58 VanDerWaalsContact O-N 3.13Å; G56-V59 PolarHBondContact O-N 3.34Å
57	P	98.3	Very high	98.4	Very high	98 Å²	98	56.9 Å²	56.9	64%	0.636	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18.4	179.5	-25.4	36.2	0	0	0	114.7	E53	E53-P57 WeakPolarHBondContact O-CD 3.17Å; E53-P57 WeakPolarHBondContact O-CG 3.2Å
58	L	98.6	Very high	98.4	Very high	35 Å²	35	57.2 Å²	57.2	18%	0.183	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-103	-14.5	-172.2	-56.3	179.9	0	0	0	113	I54 V55 G56 A60 R61 M62 D69 V72	I54-L58 WeakPolarHBondContact O-CD1 3.37Å; V55-L58 PolarHBondContact O-N 2.86Å; G56-L58 PolarHBondContact O-N 2.79Å; G56-L58 VanDerWaalsContact O-N 3.13Å; L58-A60 PolarHBondContact O-N 2.82Å; L58-R61 PolarHBondContact O-N 3.07Å; L58-M62 HydrophobicContact CB-CE 4.17Å; L58-M62 HydrophobicContact CB-CG 4.29Å; L58-M62 HydrophobicContact CB-SD 4.37Å; L58-M62 WeakPolarHBondContact O-CG 3.43Å; L58-M62 PolarHBondContact O-N 2.93Å; L58-D69 HydrophobicContact CD1-CB 4.11Å; L58-V72 HydrophobicContact CD1-CG2 3.64Å
59	V	98.7	Very high	98.4	Very high	8 Å²	8	57.3 Å²	57.3	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-53.5	-48	-171.7	178.4	0	0	0	0	113.1	V55 G56 R61 M62 D63 V110 D111 K381	V55-V59 HydrophobicContact CG1-CG2 4.1Å; V55-V59 WeakPolarHBondContact O-CG2 3.31Å; V55-V59 PolarHBondContact O-N 2.83Å; G56-V59 PolarHBondContact O-N 3.34Å; V59-R61 PolarHBondContact O-N 2.86Å; V59-M62 PolarHBondContact O-N 2.9Å; V59-D63 WeakPolarHBondContact O-CB 3.31Å; V59-D63 PolarHBondContact O-N 3.48Å; V59-V110 HydrophobicContact CG2-CG1 3.76Å; V59-D111 HydrophobicContact CG1-CB 4.36Å; V59-D111 HydrophobicContact CG2-CB 3.96Å; V59-K381 HydrophobicContact CG1-CD 3.79Å
60	A	97.8	Very high	98.3	Very high	80 Å²	80	56.2 Å²	56.2	66%	0.661	31%	0.308	S	S	*	.	H	α-helix	trans	-64	-42.6	-176.8	0	0	0	0	0	112	L58 E64	L58-A60 PolarHBondContact O-N 2.82Å; A60-E64 WeakPolarHBondContact O-CB 3.39Å; A60-E64 PolarHBondContact O-N 2.9Å; A60-E64 VanDerWaalsContact O-N 3.1Å
61	R	98.1	Very high	98.3	Very high	113 Å²	113	57.4 Å²	57.4	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-49	176.1	-177.9	178.6	70.2	-160.2	5.6	111.1	L58 V59 D63 E64 E65 D69	L58-R61 PolarHBondContact O-N 3.07Å; V59-R61 PolarHBondContact O-N 2.86Å; R61-D63 VanDerWaalsContact C-N 3.29Å; R61-D63 PolarHBondContact O-N 3.01Å; R61-E64 PolarHBondContact O-N 2.89Å; R61-E65 HydrophobicContact CG-CG 4.14Å; R61-E65 VanDerWaalsContact CG-OE1 3.29Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 WeakPolarHBondContact O-CB 3.2Å; R61-E65 WeakPolarHBondContact O-CG 3.31Å; R61-E65 PolarHBondContact O-N 2.83Å; R61-D69 IonicContact CZ-OD2 3.3Å; R61-D69 IonicContact NH2-OD2 3.42Å; R61-D69 PolarHBondContact NH2-OD2 3.15Å
62	M	98.6	Very high	98.3	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-37.3	-179.4	-70.2	-166.8	-58	0	0	112.6	V55 L58 V59 S66 C67 L68 D69 V72 V114 A236	V55-M62 HydrophobicContact CG1-CE 4.03Å; L58-M62 HydrophobicContact CB-CE 4.17Å; L58-M62 HydrophobicContact CB-CG 4.29Å; L58-M62 HydrophobicContact CB-SD 4.37Å; L58-M62 WeakPolarHBondContact O-CG 3.43Å; L58-M62 PolarHBondContact O-N 2.93Å; V59-M62 PolarHBondContact O-N 2.9Å; M62-S66 CarbonylContact O-C 3.42Å; M62-S66 WeakPolarHBondContact O-CA 3.34Å; M62-S66 PolarHBondContact O-N 3.24Å; M62-C67 WeakPolarHBondContact CA-O 3.34Å; M62-C67 VanDerWaalsContact CB-O 3.3Å; M62-C67 WeakPolarHBondContact CB-O 3.24Å; M62-C67 WeakPolarHBondContact CG-O 3.48Å; M62-C67 PolarHBondContact O-N 3.11Å; M62-L68 HydrophobicContact SD-CD1 4.05Å; M62-D69 HydrophobicContact CG-CB 4.06Å; M62-D69 HydrophobicContact SD-CB 3.64Å; M62-D69 PolarHBondContact SD-N 3.3Å; M62-D69 VanDerWaalsContact SD-N 3.35Å; M62-V72 HydrophobicContact SD-CG2 4.24Å; M62-V114 HydrophobicContact CE-CG2 4.06Å; M62-A236 HydrophobicContact CB-CB 3.75Å
63	D	98.1	Very high	98.3	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-69.7	-44.6	176.4	-173.9	70	0	0	0	112.4	V59 R61 S66 R235 K381 R384	V59-D63 WeakPolarHBondContact O-CB 3.31Å; V59-D63 PolarHBondContact O-N 3.48Å; R61-D63 VanDerWaalsContact C-N 3.29Å; R61-D63 PolarHBondContact O-N 3.01Å; D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 PolarHBondContact O-OG 3.44Å; D63-R235 PolarHBondContact O-NE 2.82Å; D63-R235 WeakPolarHBondContact OD1-CD 3.32Å; D63-K381 HydrophobicContact CB-CD 4.04Å; D63-K381 WeakPolarHBondContact OD1-CE 3.23Å; D63-R384 IonicContact OD1-CZ 2.65Å; D63-R384 IonicContact OD1-NH1 3.01Å; D63-R384 PolarHBondContact OD1-NH1 2.8Å; D63-R384 VanDerWaalsContact OD1-NH1 3.16Å; D63-R384 IonicContact OD1-NH2 3.84Å; D63-R384 IonicContact OD2-CZ 3.57Å; D63-R384 IonicContact OD2-NH1 2.8Å; D63-R384 IonicContact OD2-NH2 2.75Å; D63-R384 PolarHBondContact OD2-NH2 2.92Å
64	E	97.2	Very high	98.3	Very high	117 Å²	117	51 Å²	51	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-50.3	179.6	-169.4	64.9	-151.3	0	0	111.1	A60 R61 S66 K375	A60-E64 WeakPolarHBondContact O-CB 3.39Å; A60-E64 PolarHBondContact O-N 2.9Å; A60-E64 VanDerWaalsContact O-N 3.1Å; R61-E64 PolarHBondContact O-N 2.89Å; E64-S66 PolarHBondContact O-N 2.97Å; E64-K375 IonicContact OE1-NZ 2.76Å; E64-K375 IonicContact OE2-NZ 3.8Å; E64-K375 PolarHBondContact OE2-NZ 3.29Å
65	E	97.8	Very high	98.3	Very high	125 Å²	125	47.7 Å²	47.7	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-74.5	-11.3	178.3	-64.7	177	-179.6	0	0	112.7	R61 C67	R61-E65 HydrophobicContact CG-CG 4.14Å; R61-E65 VanDerWaalsContact CG-OE1 3.29Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 WeakPolarHBondContact O-CB 3.2Å; R61-E65 WeakPolarHBondContact O-CG 3.31Å; R61-E65 PolarHBondContact O-N 2.83Å; E65-C67 HydrophobicContact CB-CB 4.3Å; E65-C67 PolarHBondContact O-N 3.46Å
66	S	97.9	Very high	98.3	Very high	21 Å²	21	47.7 Å²	47.7	15%	0.147	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	39.8	-176.4	-44.7	0	0	0	0	112.4	M62 D63 E64 K228 R235	M62-S66 CarbonylContact O-C 3.42Å; M62-S66 WeakPolarHBondContact O-CA 3.34Å; M62-S66 PolarHBondContact O-N 3.24Å; D63-S66 PolarHBondContact O-N 3.09Å; D63-S66 PolarHBondContact O-OG 3.44Å; E64-S66 PolarHBondContact O-N 2.97Å; S66-K228 WeakPolarHBondContact O-CE 3.48Å; S66-K228 PolarHBondContact O-NZ 2.66Å; S66-R235 CarbonylContact C-O 3.56Å; S66-R235 WeakPolarHBondContact CA-O 3.42Å; S66-R235 VanDerWaalsContact OG-CZ 3.23Å; S66-R235 PolarHBondContact OG-NE 3.47Å; S66-R235 PolarHBondContact OG-NH2 2.76Å
67	C	98.1	Very high	98.3	Very high	52 Å²	52	47.1 Å²	47.1	35%	0.351	27%	0.27	S	S	.	.			trans	-136.6	129.4	-172.2	-166.6	0	0	0	0	110.4	M62 E65 D69	M62-C67 WeakPolarHBondContact CA-O 3.34Å; M62-C67 VanDerWaalsContact CB-O 3.3Å; M62-C67 WeakPolarHBondContact CB-O 3.24Å; M62-C67 WeakPolarHBondContact CG-O 3.48Å; M62-C67 PolarHBondContact O-N 3.11Å; E65-C67 HydrophobicContact CB-CB 4.3Å; E65-C67 PolarHBondContact O-N 3.46Å; C67-D69 PolarHBondContact O-N 2.93Å
68	L	98.4	Very high	98.3	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	27%	0.271	C	S	.	.			trans	-72.9	126.4	172.1	-176.7	65	0	0	0	109.1	M62 S70 V72 L73 V114 A236	M62-L68 HydrophobicContact SD-CD1 4.05Å; L68-S70 PolarHBondContact O-N 2.93Å; L68-V72 HydrophobicContact CD1-CG1 4.17Å; L68-L73 HydrophobicContact CD2-CB 4.15Å; L68-L73 HydrophobicContact CD2-CD1 4.36Å; L68-V114 HydrophobicContact CD1-CG2 3.78Å; L68-A236 WeakPolarHBondContact CB-O 3.47Å; L68-A236 PolarHBondContact N-O 3.12Å; L68-A236 VanDerWaalsContact N-O 3.16Å
69	D	98.6	Very high	98.2	Very high	34 Å²	34	50 Å²	50	18%	0.182	28%	0.28	C	S	.	.			trans	-65.4	129.5	177.2	-170.1	-76.6	0	0	0	110.9	L58 R61 M62 C67 G71 V72 L73	L58-D69 HydrophobicContact CD1-CB 4.11Å; R61-D69 IonicContact CZ-OD2 3.3Å; R61-D69 IonicContact NH2-OD2 3.42Å; R61-D69 PolarHBondContact NH2-OD2 3.15Å; M62-D69 HydrophobicContact CG-CB 4.06Å; M62-D69 HydrophobicContact SD-CB 3.64Å; M62-D69 PolarHBondContact SD-N 3.3Å; M62-D69 VanDerWaalsContact SD-N 3.35Å; C67-D69 PolarHBondContact O-N 2.93Å; D69-G71 PolarHBondContact O-N 3.39Å; D69-G71 VanDerWaalsContact OD1-CA 3.29Å; D69-G71 WeakPolarHBondContact OD1-CA 3.46Å; D69-G71 PolarHBondContact OD1-N 3.1Å; D69-V72 HydrophobicContact CB-CB 4.24Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 WeakPolarHBondContact O-CB 3.36Å; D69-V72 PolarHBondContact O-N 3.25Å; D69-V72 PolarHBondContact OD1-N 3.38Å; D69-L73 PolarHBondContact O-N 3.25Å; D69-L73 VanDerWaalsContact O-N 3.07Å
70	S	97.8	Very high	98.2	Very high	98 Å²	98	50.7 Å²	50.7	69%	0.685	29%	0.288	S	S	*	.	H	α-helix	trans	-63.2	-30.2	-178.9	55.5	0	0	0	0	112.9	L68 L73 H74	L68-S70 PolarHBondContact O-N 2.93Å; S70-L73 PolarHBondContact O-N 3.3Å; S70-H74 VanDerWaalsContact O-CB 3.27Å; S70-H74 WeakPolarHBondContact O-CB 3.37Å; S70-H74 PolarHBondContact O-N 2.92Å
71	G	98.4	Very high	98.3	Very high	36 Å²	36	46.9 Å²	46.9	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-68.4	-34.8	174.2	0	0	0	0	0	112.3	D69 G75	D69-G71 PolarHBondContact O-N 3.39Å; D69-G71 VanDerWaalsContact OD1-CA 3.29Å; D69-G71 WeakPolarHBondContact OD1-CA 3.46Å; D69-G71 PolarHBondContact OD1-N 3.1Å; G71-G75 PolarHBondContact O-N 3.39Å
72	V	98.8	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-49.5	171.7	171.4	0	0	0	0	110.4	V55 L58 M62 L68 D69 H74 G75 L76 V114	V55-V72 HydrophobicContact CG2-CG1 3.9Å; V55-V72 HydrophobicContact CG2-CG2 4.39Å; L58-V72 HydrophobicContact CD1-CG2 3.64Å; M62-V72 HydrophobicContact SD-CG2 4.24Å; L68-V72 HydrophobicContact CD1-CG1 4.17Å; D69-V72 HydrophobicContact CB-CB 4.24Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 WeakPolarHBondContact O-CB 3.36Å; D69-V72 PolarHBondContact O-N 3.25Å; D69-V72 PolarHBondContact OD1-N 3.38Å; V72-H74 PolarHBondContact O-N 2.85Å; V72-G75 WeakPolarHBondContact O-CA 3.45Å; V72-G75 PolarHBondContact O-N 2.89Å; V72-G75 VanDerWaalsContact O-N 3.12Å; V72-L76 PolarHBondContact O-N 2.95Å; V72-V114 HydrophobicContact CG1-CB 4.5Å; V72-V114 HydrophobicContact CG1-CG1 3.77Å; V72-V114 HydrophobicContact CG1-CG2 3.81Å
73	L	98.7	Very high	98.3	Very high	24 Å²	24	41.5 Å²	41.5	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-46.6	179.2	-179.3	59.4	0	0	0	111.5	L68 D69 S70 G75 L76 F77 M82 V150 H192	L68-L73 HydrophobicContact CD2-CB 4.15Å; L68-L73 HydrophobicContact CD2-CD1 4.36Å; D69-L73 PolarHBondContact O-N 3.25Å; D69-L73 VanDerWaalsContact O-N 3.07Å; S70-L73 PolarHBondContact O-N 3.3Å; L73-G75 VanDerWaalsContact C-N 3.29Å; L73-G75 PolarHBondContact O-N 3.04Å; L73-L76 HydrophobicContact CD1-CD1 4.39Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 2.81Å; L73-F77 HydrophobicContact CD1-CD2 4.46Å; L73-F77 HydrophobicContact CD1-CE2 3.89Å; L73-F77 HydrophobicContact CG-CE2 4.1Å; L73-F77 VanDerWaalsContact O-CD2 3.28Å; L73-F77 WeakPolarHBondContact O-CD2 3.31Å; L73-F77 PolarHBondContact O-N 2.83Å; L73-M82 HydrophobicContact CD1-CE 4.43Å; L73-V150 HydrophobicContact CD1-CG2 3.93Å; L73-V150 HydrophobicContact CD2-CG2 4.06Å; L73-V150 HydrophobicContact CG-CG2 4.46Å; L73-H192 HydrophobicContact CD2-CB 4.19Å
74	H	98.5	Very high	98.3	Very high	108 Å²	108	41.1 Å²	41.1	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-40.7	174.6	-177.2	55	0	0	0	111.9	S70 V72 L76 F77 L78	S70-H74 VanDerWaalsContact O-CB 3.27Å; S70-H74 WeakPolarHBondContact O-CB 3.37Å; S70-H74 PolarHBondContact O-N 2.92Å; V72-H74 PolarHBondContact O-N 2.85Å; H74-L76 VanDerWaalsContact C-N 3.33Å; H74-L76 PolarHBondContact O-N 3.24Å; H74-F77 PolarHBondContact O-N 3.32Å; H74-L78 VanDerWaalsContact NE2-CD1 3.34Å; H74-L78 WeakPolarHBondContact NE2-CD1 3.31Å; H74-L78 WeakPolarHBondContact O-CG 3.29Å; H74-L78 PolarHBondContact O-N 2.92Å
75	G	98.7	Very high	98.3	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-37	175.4	0	0	0	0	0	113.7	G71 V72 L73 L78 N79	G71-G75 PolarHBondContact O-N 3.39Å; V72-G75 WeakPolarHBondContact O-CA 3.45Å; V72-G75 PolarHBondContact O-N 2.89Å; V72-G75 VanDerWaalsContact O-N 3.12Å; L73-G75 VanDerWaalsContact C-N 3.29Å; L73-G75 PolarHBondContact O-N 3.04Å; G75-L78 PolarHBondContact O-N 3.05Å; G75-N79 PolarHBondContact O-N 3.27Å; G75-N79 VanDerWaalsContact O-N 3.07Å; G75-N79 PolarHBondContact O-ND2 3.49Å
76	L	98.8	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-44	174.7	-67.9	172.9	0	0	0	111.5	F50 V72 L73 H74 G80 F81 M82 L107 V114	F50-L76 HydrophobicContact CD1-CD2 4.41Å; F50-L76 HydrophobicContact CE1-CD2 3.63Å; F50-L76 HydrophobicContact CE1-CG 4.22Å; F50-L76 HydrophobicContact CZ-CD2 4.23Å; F50-L76 HydrophobicContact CZ-CG 4.36Å; V72-L76 PolarHBondContact O-N 2.95Å; L73-L76 HydrophobicContact CD1-CD1 4.39Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 2.81Å; H74-L76 VanDerWaalsContact C-N 3.33Å; H74-L76 PolarHBondContact O-N 3.24Å; L76-G80 PolarHBondContact O-N 3.11Å; L76-F81 HydrophobicContact CD2-CB 4.29Å; L76-F81 HydrophobicContact CD2-CD2 4.08Å; L76-F81 WeakPolarHBondContact O-CB 3.44Å; L76-F81 PolarHBondContact O-N 3.45Å; L76-M82 HydrophobicContact CB-CG 3.71Å; L76-M82 HydrophobicContact CB-SD 3.83Å; L76-M82 HydrophobicContact CD1-SD 3.94Å; L76-M82 HydrophobicContact CG-SD 4.47Å; L76-L107 HydrophobicContact CD2-CD1 3.87Å; L76-L107 HydrophobicContact CD2-CD2 4.09Å; L76-V114 HydrophobicContact CD1-CG1 4Å; L76-V114 HydrophobicContact CD2-CG1 4.1Å; L76-V114 HydrophobicContact CG-CG1 4.4Å
77	F	98.7	Very high	98.4	Very high	16 Å²	16	32.1 Å²	32.1	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-47.4	175.8	-72.5	-75.1	0	0	0	111.8	L73 H74 N79 G80 M82 L145 C146 K147 L149 V150	L73-F77 HydrophobicContact CD1-CD2 4.46Å; L73-F77 HydrophobicContact CD1-CE2 3.89Å; L73-F77 HydrophobicContact CG-CE2 4.1Å; L73-F77 VanDerWaalsContact O-CD2 3.28Å; L73-F77 WeakPolarHBondContact O-CD2 3.31Å; L73-F77 PolarHBondContact O-N 2.83Å; H74-F77 PolarHBondContact O-N 3.32Å; F77-N79 PolarHBondContact O-N 2.96Å; F77-G80 PolarHBondContact O-N 2.94Å; F77-M82 HydrophobicContact CD1-CB 3.45Å; F77-M82 VanDerWaalsContact CD1-CB 3.45Å; F77-M82 HydrophobicContact CD1-CG 3.63Å; F77-M82 HydrophobicContact CD2-CG 4.14Å; F77-M82 HydrophobicContact CE1-CB 3.5Å; F77-M82 VanDerWaalsContact CE1-CB 3.5Å; F77-M82 HydrophobicContact CE1-CE 4.44Å; F77-M82 HydrophobicContact CE1-CG 3.74Å; F77-M82 HydrophobicContact CE2-CE 4.4Å; F77-M82 HydrophobicContact CE2-CG 4.21Å; F77-M82 HydrophobicContact CG-CB 4.17Å; F77-M82 HydrophobicContact CG-CG 3.85Å; F77-M82 HydrophobicContact CZ-CB 4.22Å; F77-M82 HydrophobicContact CZ-CE 4.02Å; F77-M82 HydrophobicContact CZ-CG 4.02Å; F77-L145 WeakPolarHBondContact CE1-O 3.34Å; F77-C146 WeakPolarHBondContact CD1-O 3.41Å; F77-K147 VanDerWaalsContact CB-O 3.24Å; F77-K147 WeakPolarHBondContact CB-O 3.34Å; F77-K147 WeakPolarHBondContact CD1-O 3.49Å; F77-K147 VanDerWaalsContact CG-O 3.27Å; F77-K147 WeakPolarHBondContact CG-O 3.49Å; F77-L149 WeakPolarHBondContact CZ-O 3.48Å; F77-V150 HydrophobicContact CE2-CG2 3.94Å; F77-V150 HydrophobicContact CZ-CG2 3.8Å
78	L	97.8	Very high	98.4	Very high	123 Å²	123	33.4 Å²	33.4	64%	0.644	20%	0.203	S	C	*	.	H	α-helix	trans	-59.3	-32	-179.3	-75	-177.1	0	0	0	113.6	H74 G75 G80	H74-L78 VanDerWaalsContact NE2-CD1 3.34Å; H74-L78 WeakPolarHBondContact NE2-CD1 3.31Å; H74-L78 WeakPolarHBondContact O-CG 3.29Å; H74-L78 PolarHBondContact O-N 2.92Å; G75-L78 PolarHBondContact O-N 3.05Å; L78-G80 VanDerWaalsContact C-N 3.33Å
79	N	97.9	Very high	98.4	Very high	72 Å²	72	40.3 Å²	40.3	39%	0.385	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.1	178.2	-72.1	-88.7	0	0	0	113.3	F50 G75 F77 F81	F50-N79 WeakPolarHBondContact CD2-ND2 3.41Å; G75-N79 PolarHBondContact O-N 3.27Å; G75-N79 VanDerWaalsContact O-N 3.07Å; G75-N79 PolarHBondContact O-ND2 3.49Å; F77-N79 PolarHBondContact O-N 2.96Å; N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 HydrophobicContact CB-CD1 4.39Å; N79-F81 HydrophobicContact CB-CD2 3.71Å; N79-F81 HydrophobicContact CB-CE1 4.16Å; N79-F81 HydrophobicContact CB-CE2 3.45Å; N79-F81 VanDerWaalsContact CB-CE2 3.45Å; N79-F81 HydrophobicContact CB-CG 4.17Å; N79-F81 HydrophobicContact CB-CZ 3.68Å; N79-F81 PolarHBondContact O-N 3.06Å
80	G	97.8	Very high	98.4	Very high	21 Å²	21	39.6 Å²	39.6	22%	0.216	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	4.5	179.9	0	0	0	0	0	114.9	L76 F77 L78 M82 G83	L76-G80 PolarHBondContact O-N 3.11Å; F77-G80 PolarHBondContact O-N 2.94Å; L78-G80 VanDerWaalsContact C-N 3.33Å; G80-M82 PolarHBondContact O-N 3.1Å; G80-G83 PolarHBondContact O-N 3.25Å
81	F	98.7	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.9	-174.6	-59.8	-30.9	0	0	0	114	M43 F50 L76 N79 I84 V103 C118 N122	M43-F81 HydrophobicContact SD-CD1 4.23Å; M43-F81 HydrophobicContact SD-CE1 3.94Å; F50-F81 HydrophobicContact CB-CE2 3.81Å; F50-F81 HydrophobicContact CB-CZ 4.42Å; F50-F81 HydrophobicContact CD1-CD2 4.24Å; F50-F81 AromaticContact CD1-CE2 3.89Å; F50-F81 HydrophobicContact CD1-CE2 3.89Å; F50-F81 AromaticContact CG-CE2 3.81Å; F50-F81 HydrophobicContact CG-CE2 3.81Å; L76-F81 HydrophobicContact CD2-CB 4.29Å; L76-F81 HydrophobicContact CD2-CD2 4.08Å; L76-F81 WeakPolarHBondContact O-CB 3.44Å; L76-F81 PolarHBondContact O-N 3.45Å; N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 HydrophobicContact CB-CD1 4.39Å; N79-F81 HydrophobicContact CB-CD2 3.71Å; N79-F81 HydrophobicContact CB-CE1 4.16Å; N79-F81 HydrophobicContact CB-CE2 3.45Å; N79-F81 VanDerWaalsContact CB-CE2 3.45Å; N79-F81 HydrophobicContact CB-CG 4.17Å; N79-F81 HydrophobicContact CB-CZ 3.68Å; N79-F81 PolarHBondContact O-N 3.06Å; F81-I84 WeakPolarHBondContact O-CD1 3.4Å; F81-I84 WeakPolarHBondContact O-CG1 3.33Å; F81-V103 HydrophobicContact CB-CG1 3.99Å; F81-V103 HydrophobicContact CD1-CG1 4.01Å; F81-V103 HydrophobicContact CD1-CG2 3.9Å; F81-V103 HydrophobicContact CD2-CG1 4.47Å; F81-V103 HydrophobicContact CE1-CG2 4.19Å; F81-V103 HydrophobicContact CG-CG1 3.91Å; F81-C118 PolarHBondContact O-SG 2.9Å; F81-N122 PolarHBondContact O-ND2 2.95Å
82	M	98.7	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.4	179.3	-61.6	-59.5	-78.6	0	0	114	L73 L76 F77 G80 C118 Q121 N126	L73-M82 HydrophobicContact CD1-CE 4.43Å; L76-M82 HydrophobicContact CB-CG 3.71Å; L76-M82 HydrophobicContact CB-SD 3.83Å; L76-M82 HydrophobicContact CD1-SD 3.94Å; L76-M82 HydrophobicContact CG-SD 4.47Å; F77-M82 HydrophobicContact CD1-CB 3.45Å; F77-M82 VanDerWaalsContact CD1-CB 3.45Å; F77-M82 HydrophobicContact CD1-CG 3.63Å; F77-M82 HydrophobicContact CD2-CG 4.14Å; F77-M82 HydrophobicContact CE1-CB 3.5Å; F77-M82 VanDerWaalsContact CE1-CB 3.5Å; F77-M82 HydrophobicContact CE1-CE 4.44Å; F77-M82 HydrophobicContact CE1-CG 3.74Å; F77-M82 HydrophobicContact CE2-CE 4.4Å; F77-M82 HydrophobicContact CE2-CG 4.21Å; F77-M82 HydrophobicContact CG-CB 4.17Å; F77-M82 HydrophobicContact CG-CG 3.85Å; F77-M82 HydrophobicContact CZ-CB 4.22Å; F77-M82 HydrophobicContact CZ-CE 4.02Å; F77-M82 HydrophobicContact CZ-CG 4.02Å; G80-M82 PolarHBondContact O-N 3.1Å; M82-C118 HydrophobicContact SD-CB 4.4Å; M82-Q121 HydrophobicContact CB-CG 4.19Å; M82-Q121 HydrophobicContact CE-CB 3.66Å; M82-Q121 HydrophobicContact CE-CG 3.61Å; M82-Q121 WeakPolarHBondContact O-CG 3.49Å; M82-Q121 HydrophobicContact SD-CB 4.34Å; M82-Q121 HydrophobicContact SD-CG 4.35Å; M82-N126 PolarHBondContact O-ND2 2.89Å
83	G	98.5	Very high	98.1	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	23%	0.233	C	C	.	.	S	Bend	trans	-139.8	44.9	-175.7	0	0	0	0	0	112.3	G80 I86 G92 S93	G80-G83 PolarHBondContact O-N 3.25Å; G83-I86 PolarHBondContact O-N 2.95Å; G83-G92 VanDerWaalsContact O-CA 3.29Å; G83-G92 WeakPolarHBondContact O-CA 3.22Å; G83-S93 PolarHBondContact O-N 3.25Å
84	I	98.7	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-64	-54.8	-168.2	-64.2	172.5	0	0	0	111.3	F81 I86 S93 E94 A95 V100 V103 N122	F81-I84 WeakPolarHBondContact O-CD1 3.4Å; F81-I84 WeakPolarHBondContact O-CG1 3.33Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-S93 CarbonylContact O-C 3.6Å; I84-E94 PolarHBondContact O-N 3.03Å; I84-A95 HydrophobicContact CG2-CB 3.77Å; I84-A95 PolarHBondContact O-N 3.01Å; I84-V100 HydrophobicContact CB-CG2 3.88Å; I84-V100 HydrophobicContact CD1-CB 4.37Å; I84-V100 HydrophobicContact CD1-CG2 4.07Å; I84-V100 HydrophobicContact CG2-CG2 3.73Å; I84-V103 HydrophobicContact CD1-CB 3.95Å; I84-V103 HydrophobicContact CD1-CG1 4.2Å; I84-V103 HydrophobicContact CD1-CG2 3.83Å; I84-N122 PolarHBondContact N-OD1 2.84Å
85	E	98	Very high	97.9	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.187	24%	0.238	C	C	.	.	S	Bend	trans	-84.5	-3.6	180	-64.8	-172	102.1	0	0	113.3	A95 F97 V100 Q271 K336	E85-A95 WeakPolarHBondContact CA-O 3.38Å; E85-F97 WeakPolarHBondContact OE1-CA 3.48Å; E85-F97 VanDerWaalsContact OE1-CB 3.28Å; E85-F97 WeakPolarHBondContact OE1-CB 3.36Å; E85-F97 WeakPolarHBondContact OE2-CD2 3.26Å; E85-V100 HydrophobicContact CG-CG2 4.01Å; E85-Q271 PolarHBondContact OE2-NE2 3.18Å; E85-K336 IonicContact OE1-NZ 2.64Å; E85-K336 PolarHBondContact OE1-NZ 3.05Å; E85-K336 IonicContact OE2-NZ 3.8Å
86	I	98.7	Very high	97.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-69.9	133.7	-179.2	-67.9	177.9	0	0	0	108.8	G83 I84 G92 S93 E94 N126 L130 L142 L145 C146	G83-I86 PolarHBondContact O-N 2.95Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I86-G92 CarbonylContact O-C 3.26Å; I86-G92 VanDerWaalsContact O-C 3.26Å; I86-G92 WeakPolarHBondContact O-CA 3.21Å; I86-S93 PolarHBondContact O-N 3.21Å; I86-E94 PolarHBondContact O-N 2.93Å; I86-N126 HydrophobicContact CD1-CB 4.02Å; I86-N126 HydrophobicContact CG1-CB 4.02Å; I86-L130 HydrophobicContact CG1-CD1 4.32Å; I86-L142 HydrophobicContact CD1-CB 4.49Å; I86-L142 HydrophobicContact CD1-CD2 3.96Å; I86-L142 HydrophobicContact CG1-CD2 4.27Å; I86-L142 HydrophobicContact CG2-CB 4.2Å; I86-L145 HydrophobicContact CD1-CB 4.19Å; I86-C146 WeakPolarHBondContact CD1-SG 3.28Å; I86-C146 VanDerWaalsContact CG2-SG 3.58Å
87	P	98.4	Very high	97.7	Very high	34 Å²	34	42.5 Å²	42.5	22%	0.221	26%	0.255	C	S	.	.			trans	-57	148.3	176.4	-28	35.8	0	0	0	113.4	E89 Y90 G91 G92 L130	P87-E89 HydrophobicContact CB-CG 4.01Å; P87-E89 PolarHBondContact O-N 3.43Å; P87-Y90 HydrophobicContact CB-CD2 4.17Å; P87-Y90 HydrophobicContact CG-CD2 4.3Å; P87-Y90 PolarHBondContact O-N 3.07Å; P87-G91 PolarHBondContact O-N 3.19Å; P87-G92 PolarHBondContact O-N 3.46Å; P87-L130 VanDerWaalsContact CD-CD2 3.5Å; P87-L130 HydrophobicContact CG-CD2 4.22Å
88	S	97.6	Very high	97.7	Very high	78 Å²	78	41.7 Å²	41.7	55%	0.545	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61	-27.3	-178.9	56.1	0	0	0	0	113.7	Y90 G91 E94	S88-Y90 PolarHBondContact O-N 2.97Å; S88-G91 WeakPolarHBondContact O-CA 3.45Å; S88-G91 PolarHBondContact O-N 2.8Å; S88-E94 WeakPolarHBondContact CB-OE2 3.43Å; S88-E94 PolarHBondContact N-OE2 3.43Å; S88-E94 VanDerWaalsContact N-OE2 3.1Å; S88-E94 PolarHBondContact OG-OE2 3.41Å
89	E	98	Very high	97.7	Very high	153 Å²	153	36 Å²	36	72%	0.715	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-61.6	-25	173.8	66.9	177.9	153	0	0	113.5	P87	P87-E89 HydrophobicContact CB-CG 4.01Å; P87-E89 PolarHBondContact O-N 3.43Å
90	Y	98.3	Very high	97.8	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.071	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-99.6	8.9	173	-60.7	-69.2	0	0	0	112.3	P87 S88 E135 K138 K139 L142 P143	P87-Y90 HydrophobicContact CB-CD2 4.17Å; P87-Y90 HydrophobicContact CG-CD2 4.3Å; P87-Y90 PolarHBondContact O-N 3.07Å; S88-Y90 PolarHBondContact O-N 2.97Å; Y90-E135 PolarHBondContact OH-OE2 3.2Å; Y90-K138 HydrophobicContact CE1-CB 4.15Å; Y90-K139 HydrophobicContact CE1-CG 3.97Å; Y90-L142 HydrophobicContact CD1-CB 4.01Å; Y90-L142 HydrophobicContact CD1-CD1 4.26Å; Y90-L142 HydrophobicContact CD2-CB 4.39Å; Y90-L142 HydrophobicContact CD2-CD1 3.6Å; Y90-L142 HydrophobicContact CE1-CD1 4.44Å; Y90-L142 HydrophobicContact CE2-CD1 3.85Å; Y90-L142 HydrophobicContact CG-CB 3.79Å; Y90-L142 HydrophobicContact CG-CD1 3.85Å; Y90-L142 HydrophobicContact CG-CG 4.48Å; Y90-P143 HydrophobicContact CD1-CG 4.08Å; Y90-P143 VanDerWaalsContact O-CA 3.28Å; Y90-P143 WeakPolarHBondContact O-CA 3.41Å
91	G	97.4	Very high	97.8	Very high	58 Å²	58	31.7 Å²	31.7	60%	0.598	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	13.8	179.5	0	0	0	0	0	115.2	P87 S88	P87-G91 PolarHBondContact O-N 3.19Å; S88-G91 WeakPolarHBondContact O-CA 3.45Å; S88-G91 PolarHBondContact O-N 2.8Å
92	G	97.6	Very high	97.8	Very high	13 Å²	13	31.7 Å²	31.7	13%	0.134	19%	0.194	C	C	.	.			trans	-81.8	176.8	173.6	0	0	0	0	0	113.3	G83 I86 P87 C146	G83-G92 VanDerWaalsContact O-CA 3.29Å; G83-G92 WeakPolarHBondContact O-CA 3.22Å; I86-G92 CarbonylContact O-C 3.26Å; I86-G92 VanDerWaalsContact O-C 3.26Å; I86-G92 WeakPolarHBondContact O-CA 3.21Å; P87-G92 PolarHBondContact O-N 3.46Å; G92-C146 VanDerWaalsContact CA-SG 3.56Å
93	S	94.6	Very high	97.8	Very high	55 Å²	55	31.7 Å²	31.7	39%	0.385	19%	0.194	S	C	.	.			trans	-82.7	-12.6	-178.9	-59.7	0	0	0	0	113.9	G83 I84 I86 A95	G83-S93 PolarHBondContact O-N 3.25Å; I84-S93 CarbonylContact O-C 3.6Å; I86-S93 PolarHBondContact O-N 3.21Å; S93-A95 PolarHBondContact O-N 3.16Å
94	E	96.1	Very high	97.9	Very high	124 Å²	124	31.6 Å²	31.6	58%	0.579	19%	0.193	S	C	*	.			trans	51.2	30.1	-175.9	-156.2	172.1	152.1	0	0	113.1	I84 I86 S88	I84-E94 PolarHBondContact O-N 3.03Å; I86-E94 PolarHBondContact O-N 2.93Å; S88-E94 WeakPolarHBondContact CB-OE2 3.43Å; S88-E94 PolarHBondContact N-OE2 3.43Å; S88-E94 VanDerWaalsContact N-OE2 3.1Å; S88-E94 PolarHBondContact OG-OE2 3.41Å
95	A	96.6	Very high	97.9	Very high	17 Å²	17	31.7 Å²	31.7	14%	0.14	19%	0.193	C	C	.	.			trans	-89.1	151.3	-179.1	0	0	0	0	0	110.3	M43 I84 E85 S93	M43-A95 HydrophobicContact CE-CB 4.26Å; I84-A95 HydrophobicContact CG2-CB 3.77Å; I84-A95 PolarHBondContact O-N 3.01Å; E85-A95 WeakPolarHBondContact CA-O 3.38Å; S93-A95 PolarHBondContact O-N 3.16Å
96	P	96.4	Very high	97.9	Very high	65 Å²	65	30.4 Å²	30.4	42%	0.422	19%	0.187	S	C	.	.			trans	-73.2	162.6	-175.8	36.1	-40.5	0	0	0	111.2	F98 S99 E337	P96-F98 PolarHBondContact O-N 2.84Å; P96-F98 VanDerWaalsContact O-N 3.09Å; P96-S99 VanDerWaalsContact O-CB 3.22Å; P96-S99 WeakPolarHBondContact O-CB 3.38Å; P96-S99 PolarHBondContact O-N 2.91Å; P96-E337 VanDerWaalsContact CB-OE1 3.31Å; P96-E337 WeakPolarHBondContact CB-OE1 3.45Å
97	F	97.8	Very high	97.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-53.8	-34.6	-175.5	-178.8	-120.5	0	0	0	114	E85 S99 V100 V101 T123 Q271 I274 A333 K336 E337	E85-F97 WeakPolarHBondContact OE1-CA 3.48Å; E85-F97 VanDerWaalsContact OE1-CB 3.28Å; E85-F97 WeakPolarHBondContact OE1-CB 3.36Å; E85-F97 WeakPolarHBondContact OE2-CD2 3.26Å; F97-S99 PolarHBondContact O-N 2.89Å; F97-V100 HydrophobicContact CD2-CB 4.19Å; F97-V100 HydrophobicContact CD2-CG2 4.16Å; F97-V100 HydrophobicContact CE2-CB 4.25Å; F97-V100 HydrophobicContact CE2-CG1 4.47Å; F97-V100 WeakPolarHBondContact O-CA 3.4Å; F97-V100 WeakPolarHBondContact O-CB 3.39Å; F97-V100 PolarHBondContact O-N 2.96Å; F97-V101 HydrophobicContact CD1-CG2 4.44Å; F97-V101 HydrophobicContact CE1-CG2 4.02Å; F97-V101 HydrophobicContact CZ-CG2 4.22Å; F97-V101 PolarHBondContact O-N 3.32Å; F97-T123 HydrophobicContact CE2-CG2 4.1Å; F97-Q271 HydrophobicContact CD2-CG 4.18Å; F97-Q271 HydrophobicContact CE1-CG 4.37Å; F97-Q271 HydrophobicContact CE2-CG 3.39Å; F97-Q271 HydrophobicContact CZ-CG 3.5Å; F97-Q271 VanDerWaalsContact CZ-CG 3.5Å; F97-I274 HydrophobicContact CE1-CB 4.01Å; F97-I274 HydrophobicContact CE1-CD1 3.72Å; F97-I274 HydrophobicContact CE1-CG1 4.46Å; F97-I274 HydrophobicContact CE1-CG2 3.88Å; F97-I274 HydrophobicContact CZ-CB 4.01Å; F97-I274 HydrophobicContact CZ-CD1 4.3Å; F97-I274 HydrophobicContact CZ-CG2 4.21Å; F97-A333 HydrophobicContact CD1-CB 4.06Å; F97-A333 HydrophobicContact CE1-CB 4.12Å; F97-K336 HydrophobicContact CB-CD 3.9Å; F97-K336 HydrophobicContact CD1-CB 4.36Å; F97-K336 HydrophobicContact CD1-CD 3.63Å; F97-K336 HydrophobicContact CD1-CG 4.26Å; F97-K336 HydrophobicContact CD2-CD 4.48Å; F97-K336 HydrophobicContact CE1-CD 4.29Å; F97-K336 HydrophobicContact CG-CD 3.72Å; F97-E337 HydrophobicContact CB-CG 3.88Å; F97-E337 PolarHBondContact N-OE1 3.32Å; F97-E337 VanDerWaalsContact N-OE1 3.14Å
98	F	98.3	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-29.6	178.4	-172.7	-107.1	0	0	0	112	L36 E40 P96 V100 V101 Q102 Y330 A333 R334 E337	L36-F98 HydrophobicContact CD2-CE1 3.69Å; L36-F98 HydrophobicContact CD2-CZ 4.13Å; E40-F98 HydrophobicContact CG-CD1 4.04Å; E40-F98 HydrophobicContact CG-CE1 4.41Å; P96-F98 PolarHBondContact O-N 2.84Å; P96-F98 VanDerWaalsContact O-N 3.09Å; F98-V100 VanDerWaalsContact C-N 3.28Å; F98-V100 PolarHBondContact O-N 3.24Å; F98-V101 HydrophobicContact CD2-CB 4.48Å; F98-V101 WeakPolarHBondContact O-CB 3.2Å; F98-V101 PolarHBondContact O-N 3.44Å; F98-V101 VanDerWaalsContact O-N 3.14Å; F98-Q102 HydrophobicContact CD1-CG 4.04Å; F98-Q102 HydrophobicContact CE1-CG 3.77Å; F98-Q102 HydrophobicContact CZ-CG 4.24Å; F98-Q102 WeakPolarHBondContact O-CG 3.41Å; F98-Q102 PolarHBondContact O-N 3.49Å; F98-Y330 AromaticContact CE2-CD1 3.66Å; F98-Y330 HydrophobicContact CE2-CD1 3.66Å; F98-Y330 AromaticContact CE2-CD2 3.78Å; F98-Y330 HydrophobicContact CE2-CD2 3.78Å; F98-Y330 HydrophobicContact CE2-CE1 4.06Å; F98-Y330 HydrophobicContact CE2-CE2 4.17Å; F98-Y330 AromaticContact CE2-CG 3.49Å; F98-Y330 HydrophobicContact CE2-CG 3.49Å; F98-Y330 VanDerWaalsContact CE2-CG 3.49Å; F98-Y330 HydrophobicContact CZ-CD1 4.12Å; F98-Y330 AromaticContact CZ-CD2 3.6Å; F98-Y330 HydrophobicContact CZ-CD2 3.6Å; F98-Y330 HydrophobicContact CZ-CE1 4.16Å; F98-Y330 AromaticContact CZ-CE2 3.65Å; F98-Y330 HydrophobicContact CZ-CE2 3.65Å; F98-Y330 AromaticContact CZ-CG 3.83Å; F98-Y330 HydrophobicContact CZ-CG 3.83Å; F98-Y330 AromaticContact CZ-CZ 3.92Å; F98-A333 HydrophobicContact CD2-CB 3.86Å; F98-R334 VanDerWaalsContact CD1-NH2 3.33Å; F98-E337 WeakPolarHBondContact CB-OE1 3.39Å; F98-E337 PolarHBondContact N-OE1 2.88Å
99	S	98.4	Very high	98	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-34.6	170.6	-63.7	0	0	0	0	112.4	P96 F97 Q102 V103	P96-S99 VanDerWaalsContact O-CB 3.22Å; P96-S99 WeakPolarHBondContact O-CB 3.38Å; P96-S99 PolarHBondContact O-N 2.91Å; F97-S99 PolarHBondContact O-N 2.89Å; S99-Q102 PolarHBondContact O-N 3.19Å; S99-V103 WeakPolarHBondContact O-CB 3.39Å; S99-V103 VanDerWaalsContact O-CG2 3.25Å; S99-V103 WeakPolarHBondContact O-CG2 3.38Å; S99-V103 PolarHBondContact O-N 2.76Å
100	V	98.8	Very high	98	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-46.8	172	-176.5	0	0	0	0	110.2	I84 E85 F97 F98 Q102 V103 V104 N122 T123	I84-V100 HydrophobicContact CB-CG2 3.88Å; I84-V100 HydrophobicContact CD1-CB 4.37Å; I84-V100 HydrophobicContact CD1-CG2 4.07Å; I84-V100 HydrophobicContact CG2-CG2 3.73Å; E85-V100 HydrophobicContact CG-CG2 4.01Å; F97-V100 HydrophobicContact CD2-CB 4.19Å; F97-V100 HydrophobicContact CD2-CG2 4.16Å; F97-V100 HydrophobicContact CE2-CB 4.25Å; F97-V100 HydrophobicContact CE2-CG1 4.47Å; F97-V100 WeakPolarHBondContact O-CA 3.4Å; F97-V100 WeakPolarHBondContact O-CB 3.39Å; F97-V100 PolarHBondContact O-N 2.96Å; F98-V100 VanDerWaalsContact C-N 3.28Å; F98-V100 PolarHBondContact O-N 3.24Å; V100-Q102 VanDerWaalsContact C-N 3.35Å; V100-Q102 PolarHBondContact O-N 3.1Å; V100-V103 PolarHBondContact O-N 2.67Å; V100-V104 HydrophobicContact CG1-CG2 4.24Å; V100-V104 WeakPolarHBondContact O-CB 3.47Å; V100-V104 VanDerWaalsContact O-CG2 3.28Å; V100-V104 WeakPolarHBondContact O-CG2 3.06Å; V100-V104 PolarHBondContact O-N 3.3Å; V100-N122 HydrophobicContact CB-CB 4.43Å; V100-N122 HydrophobicContact CG1-CB 3.58Å; V100-N122 HydrophobicContact CG2-CB 3.94Å; V100-T123 HydrophobicContact CG1-CG2 3.82Å
101	V	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-46.2	178.8	175.5	0	0	0	0	111	F97 F98 V104 E105 I274 A278 T329 Y330 A333	F97-V101 HydrophobicContact CD1-CG2 4.44Å; F97-V101 HydrophobicContact CE1-CG2 4.02Å; F97-V101 HydrophobicContact CZ-CG2 4.22Å; F97-V101 PolarHBondContact O-N 3.32Å; F98-V101 HydrophobicContact CD2-CB 4.48Å; F98-V101 WeakPolarHBondContact O-CB 3.2Å; F98-V101 PolarHBondContact O-N 3.44Å; F98-V101 VanDerWaalsContact O-N 3.14Å; V101-V104 PolarHBondContact O-N 2.91Å; V101-E105 WeakPolarHBondContact O-CB 3.4Å; V101-E105 PolarHBondContact O-N 3.42Å; V101-I274 HydrophobicContact CG2-CG2 3.77Å; V101-A278 HydrophobicContact CB-CB 4.41Å; V101-A278 HydrophobicContact CG1-CB 3.76Å; V101-T329 HydrophobicContact CG1-CG2 4.12Å; V101-Y330 HydrophobicContact CG1-CD1 4.02Å; V101-Y330 HydrophobicContact CG1-CE1 3.98Å; V101-A333 HydrophobicContact CG2-CB 3.86Å
102	Q	98.7	Very high	98.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-46.9	178.3	-66.5	177.9	-66.8	0	0	112.1	E40 F98 S99 V100 V104 E105 E106	E40-Q102 PolarHBondContact O-NE2 3.32Å; F98-Q102 HydrophobicContact CD1-CG 4.04Å; F98-Q102 HydrophobicContact CE1-CG 3.77Å; F98-Q102 HydrophobicContact CZ-CG 4.24Å; F98-Q102 WeakPolarHBondContact O-CG 3.41Å; F98-Q102 PolarHBondContact O-N 3.49Å; S99-Q102 PolarHBondContact O-N 3.19Å; V100-Q102 VanDerWaalsContact C-N 3.35Å; V100-Q102 PolarHBondContact O-N 3.1Å; Q102-V104 PolarHBondContact O-N 3.24Å; Q102-E105 PolarHBondContact O-N 3.35Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.15Å
103	V	98.9	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-45.5	179.4	171.6	0	0	0	0	110.8	M43 F81 I84 S99 V100 E105 E106 L107	M43-V103 HydrophobicContact CG-CG2 3.72Å; M43-V103 HydrophobicContact SD-CG2 3.55Å; M43-V103 VanDerWaalsContact SD-CG2 3.55Å; F81-V103 HydrophobicContact CB-CG1 3.99Å; F81-V103 HydrophobicContact CD1-CG1 4.01Å; F81-V103 HydrophobicContact CD1-CG2 3.9Å; F81-V103 HydrophobicContact CD2-CG1 4.47Å; F81-V103 HydrophobicContact CE1-CG2 4.19Å; F81-V103 HydrophobicContact CG-CG1 3.91Å; I84-V103 HydrophobicContact CD1-CB 3.95Å; I84-V103 HydrophobicContact CD1-CG1 4.2Å; I84-V103 HydrophobicContact CD1-CG2 3.83Å; S99-V103 WeakPolarHBondContact O-CB 3.39Å; S99-V103 VanDerWaalsContact O-CG2 3.25Å; S99-V103 WeakPolarHBondContact O-CG2 3.38Å; S99-V103 PolarHBondContact O-N 2.76Å; V100-V103 PolarHBondContact O-N 2.67Å; V103-E105 PolarHBondContact O-N 3Å; V103-E106 PolarHBondContact O-N 3.1Å; V103-L107 HydrophobicContact CG1-CD1 3.78Å; V103-L107 HydrophobicContact CG1-CG 4.27Å; V103-L107 WeakPolarHBondContact O-CB 3.41Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.41Å; V103-L107 PolarHBondContact O-N 2.88Å
104	V	98.9	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-42.4	177.8	174	0	0	0	0	111.2	V100 V101 Q102 A108 A115 D119 G275 A278 Q279	V100-V104 HydrophobicContact CG1-CG2 4.24Å; V100-V104 WeakPolarHBondContact O-CB 3.47Å; V100-V104 VanDerWaalsContact O-CG2 3.28Å; V100-V104 WeakPolarHBondContact O-CG2 3.06Å; V100-V104 PolarHBondContact O-N 3.3Å; V101-V104 PolarHBondContact O-N 2.91Å; Q102-V104 PolarHBondContact O-N 3.24Å; V104-A108 WeakPolarHBondContact O-CB 3.32Å; V104-A108 PolarHBondContact O-N 3.46Å; V104-A115 HydrophobicContact CG1-CB 4.38Å; V104-D119 HydrophobicContact CG1-CB 4.27Å; V104-D119 HydrophobicContact CG2-CB 3.84Å; V104-G275 WeakPolarHBondContact CG1-O 3.41Å; V104-A278 HydrophobicContact CB-CB 4.25Å; V104-A278 HydrophobicContact CG1-CB 4.09Å; V104-Q279 HydrophobicContact CG1-CB 3.78Å
105	E	98.9	Very high	98.5	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.009	5%	0.045	C	C	.	.	H	α-helix	trans	-60.9	-50	175.8	-174.1	177.3	161.5	0	0	111.5	V101 Q102 V103 A108 K109 A278 I281 G282 R326 Y330	V101-E105 WeakPolarHBondContact O-CB 3.4Å; V101-E105 PolarHBondContact O-N 3.42Å; Q102-E105 PolarHBondContact O-N 3.35Å; V103-E105 PolarHBondContact O-N 3Å; E105-A108 PolarHBondContact O-N 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.45Å; E105-K109 PolarHBondContact O-N 3.46Å; E105-A278 HydrophobicContact CB-CB 4.49Å; E105-I281 HydrophobicContact CG-CG2 4.12Å; E105-I281 WeakPolarHBondContact OE1-CG2 3.32Å; E105-G282 VanDerWaalsContact O-CA 3.23Å; E105-G282 WeakPolarHBondContact O-CA 3.32Å; E105-R326 IonicContact OE1-CZ 2.78Å; E105-R326 IonicContact OE1-NE 2.98Å; E105-R326 PolarHBondContact OE1-NE 2.94Å; E105-R326 IonicContact OE1-NH2 3.09Å; E105-R326 PolarHBondContact OE1-NH2 3.46Å; E105-R326 IonicContact OE2-NE 2.62Å; E105-Y330 WeakPolarHBondContact OE2-CE1 3.26Å; E105-Y330 PolarHBondContact OE2-OH 3.45Å; E105-Y330 VanDerWaalsContact OE2-OH 3.13Å
106	E	98.9	Very high	98.6	Very high	13 Å²	13	6.7 Å²	6.7	6%	0.061	4%	0.038	C	C	.	.	H	α-helix	trans	-67.5	-37	-177.7	-64.5	-58.4	153.6	0	0	112.7	K44 A48 A51 Q102 V103 K109	K44-E106 WeakPolarHBondContact CE-OE1 3.16Å; K44-E106 HydrophobicContact CG-CG 3.89Å; K44-E106 VanDerWaalsContact CG-OE1 3.3Å; K44-E106 WeakPolarHBondContact CG-OE1 3.4Å; A48-E106 HydrophobicContact CB-CB 4.31Å; A48-E106 HydrophobicContact CB-CG 4.17Å; A48-E106 WeakPolarHBondContact CB-OE2 3.37Å; A51-E106 WeakPolarHBondContact CB-O 3.45Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.15Å; V103-E106 PolarHBondContact O-N 3.1Å; E106-K109 IonicContact OE1-NZ 2.97Å; E106-K109 PolarHBondContact OE1-NZ 2.69Å; E106-K109 WeakPolarHBondContact OE2-CD 3.12Å; E106-K109 WeakPolarHBondContact OE2-CE 3.42Å; E106-K109 IonicContact OE2-NZ 2.69Å; E106-K109 PolarHBondContact OE2-NZ 3.31Å
107	L	99	Very high	98.8	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	2%	0.019	C	C	.	.	H	α-helix	trans	-63.8	-44.1	172	-71	173.3	0	0	0	111.1	F50 A51 L76 V103 K109 V110 D111 V114 A115 C118	F50-L107 HydrophobicContact CD1-CD2 3.85Å; F50-L107 HydrophobicContact CE1-CD2 4.08Å; A51-L107 HydrophobicContact CB-CD2 4.19Å; L76-L107 HydrophobicContact CD2-CD1 3.87Å; L76-L107 HydrophobicContact CD2-CD2 4.09Å; V103-L107 HydrophobicContact CG1-CD1 3.78Å; V103-L107 HydrophobicContact CG1-CG 4.27Å; V103-L107 WeakPolarHBondContact O-CB 3.41Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.41Å; V103-L107 PolarHBondContact O-N 2.88Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 3.06Å; L107-V110 PolarHBondContact O-N 3.38Å; L107-D111 PolarHBondContact O-N 3.35Å; L107-V114 HydrophobicContact CD1-CG1 4.47Å; L107-V114 HydrophobicContact CD2-CG1 4.09Å; L107-A115 HydrophobicContact CB-CB 3.86Å; L107-C118 HydrophobicContact CD1-CB 3.65Å
108	A	98.9	Very high	98.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-69.2	-25.5	-177.2	0	0	0	0	0	113.3	V104 E105 V110 A115 Q279 L283	V104-A108 WeakPolarHBondContact O-CB 3.32Å; V104-A108 PolarHBondContact O-N 3.46Å; E105-A108 PolarHBondContact O-N 3.24Å; A108-V110 PolarHBondContact O-N 3.25Å; A108-V110 VanDerWaalsContact O-N 3.14Å; A108-A115 HydrophobicContact CB-CB 3.69Å; A108-Q279 HydrophobicContact CB-CB 4.3Å; A108-Q279 HydrophobicContact CB-CG 3.8Å; A108-Q279 VanDerWaalsContact CB-O 3.23Å; A108-Q279 WeakPolarHBondContact CB-O 3.28Å; A108-L283 HydrophobicContact CB-CB 4.44Å; A108-L283 VanDerWaalsContact O-CA 3.27Å; A108-L283 WeakPolarHBondContact O-CA 3.36Å; A108-L283 PolarHBondContact O-N 3.38Å
109	K	98.9	Very high	98.8	Very high	33 Å²	33	3.6 Å²	3.6	14%	0.143	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.7	167.8	-72.7	175.9	-161.9	174.9	0	112.5	E105 E106 L107 G282 Q285 G286 Y382	E105-K109 WeakPolarHBondContact O-CG 3.45Å; E105-K109 PolarHBondContact O-N 3.46Å; E106-K109 IonicContact OE1-NZ 2.97Å; E106-K109 PolarHBondContact OE1-NZ 2.69Å; E106-K109 WeakPolarHBondContact OE2-CD 3.12Å; E106-K109 WeakPolarHBondContact OE2-CE 3.42Å; E106-K109 IonicContact OE2-NZ 2.69Å; E106-K109 PolarHBondContact OE2-NZ 3.31Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 3.06Å; K109-G282 WeakPolarHBondContact CA-O 3.49Å; K109-G282 WeakPolarHBondContact CG-O 3.31Å; K109-G282 PolarHBondContact N-O 2.92Å; K109-Q285 HydrophobicContact CD-CB 4.43Å; K109-Q285 HydrophobicContact CD-CG 4.19Å; K109-Q285 HydrophobicContact CG-CB 4.11Å; K109-Q285 HydrophobicContact CG-CG 4.38Å; K109-G286 WeakPolarHBondContact O-CA 3.42Å; K109-Y382 PolarHBondContact O-OH 3.08Å
110	V	98.9	Very high	98.9	Very high	18 Å²	18	3.7 Å²	3.7	11%	0.109	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-51.5	179.4	-179.9	0	0	0	0	111.7	A51 V55 V59 L107 A108	A51-V110 HydrophobicContact CB-CB 4.1Å; A51-V110 HydrophobicContact CB-CG2 3.64Å; A51-V110 WeakPolarHBondContact O-CG1 3.41Å; V55-V110 HydrophobicContact CB-CG1 4.17Å; V55-V110 HydrophobicContact CG1-CG1 4.01Å; V59-V110 HydrophobicContact CG2-CG1 3.76Å; L107-V110 PolarHBondContact O-N 3.38Å; A108-V110 PolarHBondContact O-N 3.25Å; A108-V110 VanDerWaalsContact O-N 3.14Å
111	D	98.8	Very high	98.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.			trans	-153.3	114.9	179	-176	18.5	0	0	0	112.5	V55 V59 L107 S113 V114 A115 K381	V55-D111 HydrophobicContact CG1-CB 3.95Å; V59-D111 HydrophobicContact CG1-CB 4.36Å; V59-D111 HydrophobicContact CG2-CB 3.96Å; L107-D111 PolarHBondContact O-N 3.35Å; D111-S113 PolarHBondContact O-N 3.48Å; D111-S113 WeakPolarHBondContact OD1-CB 3.31Å; D111-S113 PolarHBondContact OD1-N 3.37Å; D111-S113 PolarHBondContact OD1-OG 3.19Å; D111-S113 VanDerWaalsContact OD1-OG 3.07Å; D111-S113 WeakPolarHBondContact OD2-CB 3.45Å; D111-V114 HydrophobicContact CB-CG2 4.2Å; D111-V114 PolarHBondContact O-N 3.4Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.48Å; D111-A115 PolarHBondContact O-N 3.32Å; D111-A115 VanDerWaalsContact O-N 3.16Å; D111-K381 IonicContact OD1-NZ 3.19Å; D111-K381 PolarHBondContact OD1-NZ 2.68Å
112	A	98.8	Very high	98.9	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.6	-22.8	176.6	0	0	0	0	0	113.3	A115 I116 I234 Q279 L283 D385	A112-A115 PolarHBondContact O-N 2.86Å; A112-I116 WeakPolarHBondContact O-CG2 3.29Å; A112-I116 PolarHBondContact O-N 3.48Å; A112-I234 HydrophobicContact CB-CG2 3.81Å; A112-Q279 HydrophobicContact CB-CG 4.27Å; A112-Q279 PolarHBondContact O-NE2 2.79Å; A112-L283 HydrophobicContact CB-CD1 3.71Å; A112-D385 HydrophobicContact CB-CB 4.18Å
113	S	98.8	Very high	98.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.8	-38.8	176	-48.4	0	0	0	0	112.6	D111 I116 I234	D111-S113 PolarHBondContact O-N 3.48Å; D111-S113 WeakPolarHBondContact OD1-CB 3.31Å; D111-S113 PolarHBondContact OD1-N 3.37Å; D111-S113 PolarHBondContact OD1-OG 3.19Å; D111-S113 VanDerWaalsContact OD1-OG 3.07Å; D111-S113 WeakPolarHBondContact OD2-CB 3.45Å; S113-I116 VanDerWaalsContact O-CG2 3.28Å; S113-I116 WeakPolarHBondContact O-CG2 3.28Å; S113-I234 VanDerWaalsContact OG-C 3.26Å; S113-I234 VanDerWaalsContact OG-CA 3.26Å; S113-I234 WeakPolarHBondContact OG-CA 3.14Å
114	V	98.9	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-74.3	-42.4	175.2	-179.5	0	0	0	0	109.9	V55 M62 L68 V72 L76 L107 D111 I116 A117 C118	V55-V114 HydrophobicContact CG1-CB 4.37Å; V55-V114 HydrophobicContact CG1-CG2 3.68Å; V55-V114 HydrophobicContact CG2-CG1 4.24Å; M62-V114 HydrophobicContact CE-CG2 4.06Å; L68-V114 HydrophobicContact CD1-CG2 3.78Å; V72-V114 HydrophobicContact CG1-CB 4.5Å; V72-V114 HydrophobicContact CG1-CG1 3.77Å; V72-V114 HydrophobicContact CG1-CG2 3.81Å; L76-V114 HydrophobicContact CD1-CG1 4Å; L76-V114 HydrophobicContact CD2-CG1 4.1Å; L76-V114 HydrophobicContact CG-CG1 4.4Å; L107-V114 HydrophobicContact CD1-CG1 4.47Å; L107-V114 HydrophobicContact CD2-CG1 4.09Å; D111-V114 HydrophobicContact CB-CG2 4.2Å; D111-V114 PolarHBondContact O-N 3.4Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.48Å; V114-I116 VanDerWaalsContact C-N 3.34Å; V114-I116 PolarHBondContact O-N 2.94Å; V114-A117 PolarHBondContact O-N 2.53Å; V114-C118 PolarHBondContact O-N 3.17Å
115	A	98.9	Very high	98.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-57.7	-43.7	179.4	0	0	0	0	0	112.4	V104 L107 A108 D111 A112 A117 C118 D119 Q279	V104-A115 HydrophobicContact CG1-CB 4.38Å; L107-A115 HydrophobicContact CB-CB 3.86Å; A108-A115 HydrophobicContact CB-CB 3.69Å; D111-A115 PolarHBondContact O-N 3.32Å; D111-A115 VanDerWaalsContact O-N 3.16Å; A112-A115 PolarHBondContact O-N 2.86Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A117 PolarHBondContact O-N 3.19Å; A115-C118 PolarHBondContact O-N 3.11Å; A115-D119 VanDerWaalsContact O-CB 3.3Å; A115-D119 WeakPolarHBondContact O-CB 3.49Å; A115-D119 PolarHBondContact O-N 2.96Å; A115-Q279 HydrophobicContact CB-CG 4.01Å
116	I	98.8	Very high	98.8	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-67.9	-31.7	179.7	-168.4	62.4	0	0	0	112.9	A112 S113 V114 C118 D119 V120 T188 S237 I276 Y392	A112-I116 WeakPolarHBondContact O-CG2 3.29Å; A112-I116 PolarHBondContact O-N 3.48Å; S113-I116 VanDerWaalsContact O-CG2 3.28Å; S113-I116 WeakPolarHBondContact O-CG2 3.28Å; V114-I116 VanDerWaalsContact C-N 3.34Å; V114-I116 PolarHBondContact O-N 2.94Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-D119 HydrophobicContact CD1-CB 4.3Å; I116-D119 PolarHBondContact O-N 3.34Å; I116-V120 HydrophobicContact CD1-CG2 4.05Å; I116-V120 HydrophobicContact CG1-CG2 4.21Å; I116-V120 WeakPolarHBondContact O-CG2 3.34Å; I116-V120 PolarHBondContact O-N 3.45Å; I116-T188 HydrophobicContact CG1-CG2 4Å; I116-S237 VanDerWaalsContact CG2-OG 3.3Å; I116-S237 WeakPolarHBondContact CG2-OG 3.31Å; I116-I276 HydrophobicContact CD1-CD1 3.51Å; I116-Y392 HydrophobicContact CD1-CE2 3.81Å; I116-Y392 HydrophobicContact CG1-CE2 4.03Å
117	A	98.7	Very high	98.8	Very high	2 Å²	2	4 Å²	4	2%	0.017	2%	0.022	C	C	.	.	H	α-helix	trans	-64.9	-42.5	176.5	0	0	0	0	0	111	V114 A115 N189	V114-A117 PolarHBondContact O-N 2.53Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A117 PolarHBondContact O-N 3.19Å; A117-N189 WeakPolarHBondContact CA-OD1 3.48Å; A117-N189 WeakPolarHBondContact CB-OD1 3.29Å; A117-N189 PolarHBondContact O-ND2 3.49Å
118	C	98.8	Very high	98.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-68.3	-41.6	174.1	-174.8	0	0	0	0	112.4	F81 M82 L107 V114 A115 I116 N122	F81-C118 PolarHBondContact O-SG 2.9Å; M82-C118 HydrophobicContact SD-CB 4.4Å; L107-C118 HydrophobicContact CD1-CB 3.65Å; V114-C118 PolarHBondContact O-N 3.17Å; A115-C118 PolarHBondContact O-N 3.11Å; I116-C118 VanDerWaalsContact C-N 3.34Å; C118-N122 PolarHBondContact O-N 3.06Å; C118-N122 PolarHBondContact O-ND2 3.45Å
119	D	98.9	Very high	98.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.7	-60.4	179.4	-176.4	-0.1	0	0	0	110.8	V104 A115 I116 Q121 N122 T123 G275 I276	V104-D119 HydrophobicContact CG1-CB 4.27Å; V104-D119 HydrophobicContact CG2-CB 3.84Å; A115-D119 VanDerWaalsContact O-CB 3.3Å; A115-D119 WeakPolarHBondContact O-CB 3.49Å; A115-D119 PolarHBondContact O-N 2.96Å; I116-D119 HydrophobicContact CD1-CB 4.3Å; I116-D119 PolarHBondContact O-N 3.34Å; D119-Q121 PolarHBondContact O-N 2.89Å; D119-Q121 VanDerWaalsContact O-N 3.1Å; D119-N122 CarbonylContact O-C 3.6Å; D119-N122 PolarHBondContact O-N 3.42Å; D119-T123 PolarHBondContact O-N 3.48Å; D119-T123 PolarHBondContact O-OG1 3.07Å; D119-T123 WeakPolarHBondContact OD1-CB 3.3Å; D119-T123 WeakPolarHBondContact OD1-CG2 3.48Å; D119-T123 PolarHBondContact OD1-OG1 3.07Å; D119-G275 WeakPolarHBondContact OD2-CA 3.23Å; D119-I276 WeakPolarHBondContact OD2-CD1 3.37Å; D119-I276 PolarHBondContact OD2-N 3.28Å
120	V	98.8	Very high	98.8	Very high	5 Å²	5	4.5 Å²	4.5	3%	0.03	3%	0.026	C	C	.	.	H	α-helix	trans	-54.3	-39.7	-177.6	166.9	0	0	0	0	111.9	I116 L124 I125 T188	I116-V120 HydrophobicContact CD1-CG2 4.05Å; I116-V120 HydrophobicContact CG1-CG2 4.21Å; I116-V120 WeakPolarHBondContact O-CG2 3.34Å; I116-V120 PolarHBondContact O-N 3.45Å; V120-L124 HydrophobicContact CG1-CD1 4.3Å; V120-L124 HydrophobicContact CG2-CD1 4.33Å; V120-L124 WeakPolarHBondContact O-CB 3.3Å; V120-L124 PolarHBondContact O-N 2.76Å; V120-L124 VanDerWaalsContact O-N 3.13Å; V120-I125 HydrophobicContact CG1-CG1 4.28Å; V120-I125 PolarHBondContact O-N 3.5Å; V120-T188 HydrophobicContact CG2-CG2 3.94Å
121	Q	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-58.8	-49.6	175.8	-172.2	84.8	-2.9	0	0	111	M82 D119 I125 N126 L145 L149	M82-Q121 HydrophobicContact CB-CG 4.19Å; M82-Q121 HydrophobicContact CE-CB 3.66Å; M82-Q121 HydrophobicContact CE-CG 3.61Å; M82-Q121 WeakPolarHBondContact O-CG 3.49Å; M82-Q121 HydrophobicContact SD-CB 4.34Å; M82-Q121 HydrophobicContact SD-CG 4.35Å; D119-Q121 PolarHBondContact O-N 2.89Å; D119-Q121 VanDerWaalsContact O-N 3.1Å; Q121-I125 PolarHBondContact O-N 3.46Å; Q121-N126 WeakPolarHBondContact O-CB 3.26Å; Q121-N126 PolarHBondContact O-N 3.41Å; Q121-N126 PolarHBondContact O-ND2 3.49Å; Q121-N126 PolarHBondContact O-OD1 2.98Å; Q121-L145 VanDerWaalsContact NE2-CD2 3.3Å; Q121-L145 PolarHBondContact NE2-O 3.47Å; Q121-L145 VanDerWaalsContact NE2-O 3.1Å; Q121-L149 PolarHBondContact NE2-O 2.95Å
122	N	98.9	Very high	98.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.054	C	C	.	.	I	π-helix	trans	-89.2	-19.6	-172.1	-70.6	-78.5	0	0	0	115.1	F81 I84 V100 C118 D119 N126 P127	F81-N122 PolarHBondContact O-ND2 2.95Å; I84-N122 PolarHBondContact N-OD1 2.84Å; V100-N122 HydrophobicContact CB-CB 4.43Å; V100-N122 HydrophobicContact CG1-CB 3.58Å; V100-N122 HydrophobicContact CG2-CB 3.94Å; C118-N122 PolarHBondContact O-N 3.06Å; C118-N122 PolarHBondContact O-ND2 3.45Å; D119-N122 CarbonylContact O-C 3.6Å; D119-N122 PolarHBondContact O-N 3.42Å; N122-N126 PolarHBondContact OD1-ND2 3.23Å; N122-P127 WeakPolarHBondContact O-CD 2.95Å; N122-P127 WeakPolarHBondContact O-CG 3.15Å
123	T	98.7	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-107.1	-20.9	-176.4	64	0	0	0	0	113.3	F97 V100 D119	F97-T123 HydrophobicContact CE2-CG2 4.1Å; V100-T123 HydrophobicContact CG1-CG2 3.82Å; D119-T123 PolarHBondContact O-N 3.48Å; D119-T123 PolarHBondContact O-OG1 3.07Å; D119-T123 WeakPolarHBondContact OD1-CB 3.3Å; D119-T123 WeakPolarHBondContact OD1-CG2 3.48Å; D119-T123 PolarHBondContact OD1-OG1 3.07Å
124	L	98.8	Very high	98.7	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.031	8%	0.083	C	C	.	.	I	π-helix	trans	-117.3	-55.7	178.8	-54.8	179.9	0	0	0	112	V120 M128 F153 A268 L269	V120-L124 HydrophobicContact CG1-CD1 4.3Å; V120-L124 HydrophobicContact CG2-CD1 4.33Å; V120-L124 WeakPolarHBondContact O-CB 3.3Å; V120-L124 PolarHBondContact O-N 2.76Å; V120-L124 VanDerWaalsContact O-N 3.13Å; L124-M128 WeakPolarHBondContact O-CB 3.39Å; L124-M128 WeakPolarHBondContact O-CG 3.21Å; L124-M128 PolarHBondContact O-N 3.35Å; L124-F153 HydrophobicContact CB-CB 4.31Å; L124-F153 HydrophobicContact CB-CD2 3.97Å; L124-F153 HydrophobicContact CB-CG 4.31Å; L124-F153 HydrophobicContact CD1-CB 3.88Å; L124-F153 HydrophobicContact CD1-CD1 4.15Å; L124-F153 HydrophobicContact CD1-CD2 4.24Å; L124-F153 HydrophobicContact CD1-CG 3.86Å; L124-A268 HydrophobicContact CD2-CB 3.99Å; L124-L269 HydrophobicContact CD2-CD2 4.24Å
125	I	98.9	Very high	98.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.102	C	C	.	.	I	π-helix	trans	-72.5	-58.5	-170.3	-52.9	-56.9	0	0	0	111.8	V120 Q121 M128 L129 L145 F153 L197	V120-I125 HydrophobicContact CG1-CG1 4.28Å; V120-I125 PolarHBondContact O-N 3.5Å; Q121-I125 PolarHBondContact O-N 3.46Å; I125-M128 PolarHBondContact O-N 3.2Å; I125-L129 HydrophobicContact CG2-CD1 4.31Å; I125-L129 PolarHBondContact O-N 3.41Å; I125-L145 HydrophobicContact CG2-CD1 4.16Å; I125-L145 HydrophobicContact CG2-CD2 3.87Å; I125-F153 HydrophobicContact CD1-CB 4.16Å; I125-L197 HydrophobicContact CD1-CD1 4.07Å; I125-L197 HydrophobicContact CD1-CG 4.13Å
126	N	98.8	Very high	98.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-48.9	-175.7	-59.3	-15	0	0	0	111.5	M82 I86 Q121 N122 M128 L129 L130	M82-N126 PolarHBondContact O-ND2 2.89Å; I86-N126 HydrophobicContact CD1-CB 4.02Å; I86-N126 HydrophobicContact CG1-CB 4.02Å; Q121-N126 WeakPolarHBondContact O-CB 3.26Å; Q121-N126 PolarHBondContact O-N 3.41Å; Q121-N126 PolarHBondContact O-ND2 3.49Å; Q121-N126 PolarHBondContact O-OD1 2.98Å; N122-N126 PolarHBondContact OD1-ND2 3.23Å; N126-M128 VanDerWaalsContact C-N 3.33Å; N126-M128 PolarHBondContact O-N 3.23Å; N126-L129 PolarHBondContact O-N 3.3Å; N126-L130 WeakPolarHBondContact O-CB 3.37Å; N126-L130 VanDerWaalsContact O-CG 3.3Å; N126-L130 WeakPolarHBondContact O-CG 3.49Å; N126-L130 PolarHBondContact O-N 3.36Å
127	P	98.1	Very high	98.6	Very high	16 Å²	16	26 Å²	26	10%	0.104	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-36	-177.8	-23.6	36.5	0	0	0	113.2	N122 L130 A131	N122-P127 WeakPolarHBondContact O-CD 2.95Å; N122-P127 WeakPolarHBondContact O-CG 3.15Å; P127-L130 PolarHBondContact O-N 2.94Å; P127-A131 WeakPolarHBondContact O-CB 3.35Å; P127-A131 PolarHBondContact O-N 3.2Å
128	M	98.8	Very high	98.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-43.4	176.7	-76.6	-81.5	-55.5	0	0	112	L124 I125 N126 Y132 L197 F199 C213 L255 Y264 A268	L124-M128 WeakPolarHBondContact O-CB 3.39Å; L124-M128 WeakPolarHBondContact O-CG 3.21Å; L124-M128 PolarHBondContact O-N 3.35Å; I125-M128 PolarHBondContact O-N 3.2Å; N126-M128 VanDerWaalsContact C-N 3.33Å; N126-M128 PolarHBondContact O-N 3.23Å; M128-Y132 HydrophobicContact CE-CD2 4.07Å; M128-Y132 HydrophobicContact CE-CE2 4.23Å; M128-Y132 VanDerWaalsContact O-CD2 3.32Å; M128-Y132 WeakPolarHBondContact O-CD2 3.49Å; M128-Y132 PolarHBondContact O-N 2.87Å; M128-Y132 HydrophobicContact SD-CD2 3.94Å; M128-Y132 HydrophobicContact SD-CE2 3.59Å; M128-Y132 VanDerWaalsContact SD-CE2 3.59Å; M128-L197 HydrophobicContact CB-CD1 3.7Å; M128-L197 HydrophobicContact CG-CD1 4.21Å; M128-F199 HydrophobicContact CE-CE1 4.39Å; M128-F199 HydrophobicContact CE-CZ 3.99Å; M128-C213 HydrophobicContact CE-CB 4.47Å; M128-L255 HydrophobicContact CB-CD2 4.11Å; M128-L255 HydrophobicContact CE-CD2 3.74Å; M128-Y264 HydrophobicContact CE-CG 4.41Å; M128-A268 HydrophobicContact CG-CB 3.82Å; M128-A268 HydrophobicContact SD-CB 3.7Å
129	L	98.8	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.8	-36.7	176.2	-78.2	166.2	0	0	0	112.2	I125 N126 G133 K138 L142 L145 I215 L255	I125-L129 HydrophobicContact CG2-CD1 4.31Å; I125-L129 PolarHBondContact O-N 3.41Å; N126-L129 PolarHBondContact O-N 3.3Å; L129-G133 WeakPolarHBondContact O-CA 3.18Å; L129-G133 PolarHBondContact O-N 2.81Å; L129-K138 WeakPolarHBondContact O-CE 3.5Å; L129-L142 HydrophobicContact CB-CD2 3.94Å; L129-L145 HydrophobicContact CD1-CD1 3.29Å; L129-I215 HydrophobicContact CD2-CD1 3.57Å; L129-I215 HydrophobicContact CD2-CG1 4.23Å; L129-L255 HydrophobicContact CD2-CD1 4.09Å
130	L	98.5	Very high	98.5	Very high	41 Å²	41	39.9 Å²	39.9	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-45	174.8	-72.3	167.5	0	0	0	111.7	I86 P87 N126 P127 K138 L142	I86-L130 HydrophobicContact CG1-CD1 4.32Å; P87-L130 VanDerWaalsContact CD-CD2 3.5Å; P87-L130 HydrophobicContact CG-CD2 4.22Å; N126-L130 WeakPolarHBondContact O-CB 3.37Å; N126-L130 VanDerWaalsContact O-CG 3.3Å; N126-L130 WeakPolarHBondContact O-CG 3.49Å; N126-L130 PolarHBondContact O-N 3.36Å; P127-L130 PolarHBondContact O-N 2.94Å; L130-K138 WeakPolarHBondContact O-CE 3.48Å; L130-K138 PolarHBondContact O-NZ 3.03Å; L130-L142 HydrophobicContact CD2-CD1 3.64Å; L130-L142 HydrophobicContact CD2-CD2 4.34Å; L130-L142 HydrophobicContact CG-CD1 4.46Å; L130-L142 HydrophobicContact CG-CD2 4.36Å
131	A	98	Very high	98.5	Very high	67 Å²	67	40 Å²	40	55%	0.554	19%	0.193	S	C	*	.	H	α-helix	trans	-77.5	-38.3	-173.8	0	0	0	0	0	113.8	P127	P127-A131 WeakPolarHBondContact O-CB 3.35Å; P127-A131 PolarHBondContact O-N 3.2Å
132	Y	98.6	Very high	98.5	Very high	39 Å²	39	40 Å²	40	15%	0.153	19%	0.193	C	C	.	.	H	α-helix	trans	-125	-2.9	-170.2	-42.3	-63.8	0	0	0	114	M128 L255 G256 Y264 E267	M128-Y132 HydrophobicContact CE-CD2 4.07Å; M128-Y132 HydrophobicContact CE-CE2 4.23Å; M128-Y132 VanDerWaalsContact O-CD2 3.32Å; M128-Y132 WeakPolarHBondContact O-CD2 3.49Å; M128-Y132 PolarHBondContact O-N 2.87Å; M128-Y132 HydrophobicContact SD-CD2 3.94Å; M128-Y132 HydrophobicContact SD-CE2 3.59Å; M128-Y132 VanDerWaalsContact SD-CE2 3.59Å; Y132-L255 VanDerWaalsContact C-CD1 3.48Å; Y132-L255 WeakPolarHBondContact O-CD1 3.4Å; Y132-G256 WeakPolarHBondContact O-CA 3.2Å; Y132-G256 PolarHBondContact O-N 3.16Å; Y132-Y264 AromaticContact CD1-CD1 3.69Å; Y132-Y264 HydrophobicContact CD1-CD1 3.69Å; Y132-Y264 AromaticContact CD1-CE1 3.37Å; Y132-Y264 HydrophobicContact CD1-CE1 3.37Å; Y132-Y264 HydrophobicContact CD1-CG 4.41Å; Y132-Y264 AromaticContact CD1-CZ 3.93Å; Y132-Y264 AromaticContact CD2-CD1 3.88Å; Y132-Y264 HydrophobicContact CD2-CD1 3.88Å; Y132-Y264 HydrophobicContact CD2-CD2 4.27Å; Y132-Y264 HydrophobicContact CD2-CE1 4.28Å; Y132-Y264 AromaticContact CD2-CG 3.86Å; Y132-Y264 HydrophobicContact CD2-CG 3.86Å; Y132-Y264 AromaticContact CE1-CD1 3.37Å; Y132-Y264 HydrophobicContact CE1-CD1 3.37Å; Y132-Y264 AromaticContact CE1-CE1 3.38Å; Y132-Y264 HydrophobicContact CE1-CE1 3.38Å; Y132-Y264 HydrophobicContact CE1-CG 4.31Å; Y132-Y264 AromaticContact CE2-CD1 3.58Å; Y132-Y264 HydrophobicContact CE2-CD1 3.58Å; Y132-Y264 HydrophobicContact CE2-CE1 4.29Å; Y132-Y264 AromaticContact CE2-CG 3.74Å; Y132-Y264 HydrophobicContact CE2-CG 3.74Å; Y132-Y264 AromaticContact CG-CD1 3.92Å; Y132-Y264 HydrophobicContact CG-CD1 3.92Å; Y132-Y264 HydrophobicContact CG-CD2 4.39Å; Y132-Y264 AromaticContact CG-CE1 3.84Å; Y132-Y264 HydrophobicContact CG-CE1 3.84Å; Y132-Y264 HydrophobicContact CG-CE2 4.37Å; Y132-Y264 HydrophobicContact CG-CG 4.18Å; Y132-Y264 AromaticContact CZ-CD1 3.3Å; Y132-Y264 AromaticContact CZ-CE1 3.86Å; Y132-Y264 AromaticContact CZ-CG 3.96Å; Y132-E267 PolarHBondContact OH-OE2 3.04Å
133	G	98.4	Very high	98.5	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	21%	0.21	C	C	.	.			trans	-73.2	134.7	177.2	0	0	0	0	0	111.7	L129 K138	L129-G133 WeakPolarHBondContact O-CA 3.18Å; L129-G133 PolarHBondContact O-N 2.81Å; G133-K138 WeakPolarHBondContact O-CE 3.31Å; G133-K138 PolarHBondContact O-NZ 3.43Å
134	E	97.8	Very high	98.5	Very high	117 Å²	117	43.8 Å²	43.8	55%	0.547	22%	0.22	S	C	.	.			trans	-67.1	159	165.7	-62.3	-63.1	161.6	0	0	110.2	E136 Q137 K138	E134-E136 VanDerWaalsContact C-N 3.28Å; E134-E136 PolarHBondContact O-N 3.33Å; E134-Q137 HydrophobicContact CB-CG 4.33Å; E134-Q137 WeakPolarHBondContact O-CA 3.41Å; E134-Q137 WeakPolarHBondContact O-CB 3.47Å; E134-Q137 PolarHBondContact O-N 3.41Å; E134-K138 PolarHBondContact O-N 3.29Å
135	E	98.1	Very high	98.5	Very high	85 Å²	85	43.5 Å²	43.5	40%	0.397	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-38.2	-176.2	-73.5	-58.6	121.8	0	0	113.1	Y90 Q137 K138 K139	Y90-E135 PolarHBondContact OH-OE2 3.2Å; E135-Q137 VanDerWaalsContact C-N 3.34Å; E135-Q137 PolarHBondContact O-N 2.77Å; E135-K138 PolarHBondContact O-N 3.33Å; E135-K138 IonicContact OE1-NZ 3.53Å; E135-K138 PolarHBondContact OE1-NZ 3.33Å; E135-K139 WeakPolarHBondContact O-CB 3.34Å; E135-K139 WeakPolarHBondContact O-CG 3.27Å; E135-K139 PolarHBondContact O-N 3.5Å
136	E	98.3	Very high	98.5	Very high	143 Å²	143	44.2 Å²	44.2	67%	0.668	22%	0.223	S	C	*	.	H	α-helix	trans	-64.7	-37.4	174.2	-69.9	71.4	-158.5	0	0	112.3	E134 R140	E134-E136 VanDerWaalsContact C-N 3.28Å; E134-E136 PolarHBondContact O-N 3.33Å; E136-R140 VanDerWaalsContact O-CB 3.29Å; E136-R140 WeakPolarHBondContact O-CB 3.47Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 VanDerWaalsContact O-N 3.15Å
137	Q	98.6	Very high	98.5	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.065	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-44.2	176.3	-64	174.2	-25.5	0	0	110.3	E134 E135 R140 Y141 I215 H252 V254	E134-Q137 HydrophobicContact CB-CG 4.33Å; E134-Q137 WeakPolarHBondContact O-CA 3.41Å; E134-Q137 WeakPolarHBondContact O-CB 3.47Å; E134-Q137 PolarHBondContact O-N 3.41Å; E135-Q137 VanDerWaalsContact C-N 3.34Å; E135-Q137 PolarHBondContact O-N 2.77Å; Q137-R140 PolarHBondContact O-N 3.25Å; Q137-Y141 HydrophobicContact CB-CD2 4.47Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.24Å; Q137-Y141 PolarHBondContact O-N 3.42Å; Q137-I215 HydrophobicContact CB-CD1 4.03Å; Q137-I215 HydrophobicContact CG-CD1 3.93Å; Q137-H252 PolarHBondContact NE2-O 3.37Å; Q137-V254 PolarHBondContact NE2-O 3.39Å
138	K	98.8	Very high	98.5	Very high	34 Å²	34	55 Å²	55	15%	0.148	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-50.9	177.7	-72.7	174.3	175.4	160.2	0	112	Y90 L129 L130 G133 E134 E135 R140 Y141 L142 P143	Y90-K138 HydrophobicContact CE1-CB 4.15Å; L129-K138 WeakPolarHBondContact O-CE 3.5Å; L130-K138 WeakPolarHBondContact O-CE 3.48Å; L130-K138 PolarHBondContact O-NZ 3.03Å; G133-K138 WeakPolarHBondContact O-CE 3.31Å; G133-K138 PolarHBondContact O-NZ 3.43Å; E134-K138 PolarHBondContact O-N 3.29Å; E135-K138 PolarHBondContact O-N 3.33Å; E135-K138 IonicContact OE1-NZ 3.53Å; E135-K138 PolarHBondContact OE1-NZ 3.33Å; K138-R140 PolarHBondContact O-N 3.13Å; K138-Y141 PolarHBondContact O-N 3.18Å; K138-L142 HydrophobicContact CB-CD1 3.76Å; K138-L142 HydrophobicContact CB-CG 4.25Å; K138-L142 HydrophobicContact CD-CD1 4.47Å; K138-L142 HydrophobicContact CG-CD1 3.86Å; K138-L142 HydrophobicContact CG-CG 4.48Å; K138-L142 WeakPolarHBondContact O-CB 3.43Å; K138-L142 WeakPolarHBondContact O-CG 3.29Å; K138-L142 PolarHBondContact O-N 3.41Å; K138-P143 WeakPolarHBondContact O-CD 3.45Å
139	K	98.4	Very high	98.5	Very high	136 Å²	136	56.4 Å²	56.4	59%	0.591	28%	0.281	S	S	*	.	H	α-helix	trans	-59	-33	176.7	-74.5	174.2	-177.9	170.4	0	113	Y90 E135	Y90-K139 HydrophobicContact CE1-CG 3.97Å; E135-K139 WeakPolarHBondContact O-CB 3.34Å; E135-K139 WeakPolarHBondContact O-CG 3.27Å; E135-K139 PolarHBondContact O-N 3.5Å
140	R	98	Very high	98.5	Very high	122 Å²	122	56.6 Å²	56.6	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-74.9	-47.8	177.4	178.1	174.2	173.2	-179.2	-6.7	112.7	E136 Q137 K138 D217	E136-R140 VanDerWaalsContact O-CB 3.29Å; E136-R140 WeakPolarHBondContact O-CB 3.47Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 VanDerWaalsContact O-N 3.15Å; Q137-R140 PolarHBondContact O-N 3.25Å; K138-R140 PolarHBondContact O-N 3.13Å; R140-D217 IonicContact CZ-OD2 3.98Å; R140-D217 IonicContact NH1-OD2 2.78Å; R140-D217 IonicContact NH2-OD1 3.88Å; R140-D217 PolarHBondContact NH2-OD1 3.31Å; R140-D217 IonicContact NH2-OD2 3.03Å; R140-D217 PolarHBondContact NH2-OD2 3.21Å
141	Y	98.8	Very high	98.5	Very high	8 Å²	8	54.7 Å²	54.7	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-99.9	-40.6	-166.8	-66.7	-71.3	0	0	0	114.2	Q137 K138 A144 L145 L149 V195 I215 D217	Q137-Y141 HydrophobicContact CB-CD2 4.47Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.24Å; Q137-Y141 PolarHBondContact O-N 3.42Å; K138-Y141 PolarHBondContact O-N 3.18Å; Y141-A144 PolarHBondContact O-N 3.19Å; Y141-A144 VanDerWaalsContact O-N 3.1Å; Y141-L145 VanDerWaalsContact O-CG 3.31Å; Y141-L145 WeakPolarHBondContact O-CG 3.27Å; Y141-L145 PolarHBondContact O-N 2.7Å; Y141-L149 HydrophobicContact CD1-CD2 4Å; Y141-V195 HydrophobicContact CD1-CG2 4.18Å; Y141-V195 HydrophobicContact CE1-CB 4.4Å; Y141-V195 HydrophobicContact CE1-CG2 3.8Å; Y141-I215 HydrophobicContact CD2-CD1 4.2Å; Y141-I215 HydrophobicContact CD2-CG2 4.15Å; Y141-I215 HydrophobicContact CE1-CG2 4.01Å; Y141-I215 HydrophobicContact CE2-CB 4.34Å; Y141-I215 HydrophobicContact CE2-CD1 3.97Å; Y141-I215 HydrophobicContact CE2-CG2 3.55Å; Y141-I215 VanDerWaalsContact CZ-CG2 3.46Å; Y141-D217 PolarHBondContact OH-OD1 3.27Å
142	L	98.8	Very high	98.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-43.6	-172.7	-62.9	179.5	0	0	0	113	I86 Y90 L129 L130 K138 A144 L145 C146	I86-L142 HydrophobicContact CD1-CB 4.49Å; I86-L142 HydrophobicContact CD1-CD2 3.96Å; I86-L142 HydrophobicContact CG1-CD2 4.27Å; I86-L142 HydrophobicContact CG2-CB 4.2Å; Y90-L142 HydrophobicContact CD1-CB 4.01Å; Y90-L142 HydrophobicContact CD1-CD1 4.26Å; Y90-L142 HydrophobicContact CD2-CB 4.39Å; Y90-L142 HydrophobicContact CD2-CD1 3.6Å; Y90-L142 HydrophobicContact CE1-CD1 4.44Å; Y90-L142 HydrophobicContact CE2-CD1 3.85Å; Y90-L142 HydrophobicContact CG-CB 3.79Å; Y90-L142 HydrophobicContact CG-CD1 3.85Å; Y90-L142 HydrophobicContact CG-CG 4.48Å; L129-L142 HydrophobicContact CB-CD2 3.94Å; L130-L142 HydrophobicContact CD2-CD1 3.64Å; L130-L142 HydrophobicContact CD2-CD2 4.34Å; L130-L142 HydrophobicContact CG-CD1 4.46Å; L130-L142 HydrophobicContact CG-CD2 4.36Å; K138-L142 HydrophobicContact CB-CD1 3.76Å; K138-L142 HydrophobicContact CB-CG 4.25Å; K138-L142 HydrophobicContact CD-CD1 4.47Å; K138-L142 HydrophobicContact CG-CD1 3.86Å; K138-L142 HydrophobicContact CG-CG 4.48Å; K138-L142 WeakPolarHBondContact O-CB 3.43Å; K138-L142 WeakPolarHBondContact O-CG 3.29Å; K138-L142 PolarHBondContact O-N 3.41Å; L142-A144 VanDerWaalsContact C-N 3.29Å; L142-A144 PolarHBondContact O-N 2.88Å; L142-L145 HydrophobicContact CD2-CD1 4.24Å; L142-L145 PolarHBondContact O-N 2.67Å; L142-C146 PolarHBondContact O-N 3.01Å; L142-C146 VanDerWaalsContact O-N 3.15Å; L142-C146 PolarHBondContact O-SG 3.1Å; L142-C146 VanDerWaalsContact O-SG 3.35Å
143	P	98.8	Very high	98.5	Very high	55 Å²	55	50.6 Å²	50.6	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-37.6	175.7	-24.8	35.9	0	0	0	113.9	Y90 K138 C146 K147	Y90-P143 HydrophobicContact CD1-CG 4.08Å; Y90-P143 VanDerWaalsContact O-CA 3.28Å; Y90-P143 WeakPolarHBondContact O-CA 3.41Å; K138-P143 WeakPolarHBondContact O-CD 3.45Å; P143-C146 PolarHBondContact O-N 3.13Å; P143-K147 WeakPolarHBondContact O-CB 3.5Å; P143-K147 PolarHBondContact O-N 2.83Å
144	A	98.8	Very high	98.6	Very high	25 Å²	25	50.3 Å²	50.3	21%	0.207	24%	0.239	C	C	.	.	H	α-helix	trans	-71.4	-39.4	177.6	0	0	0	0	0	111.2	Y141 L142 C146 K147 D148 L149	Y141-A144 PolarHBondContact O-N 3.19Å; Y141-A144 VanDerWaalsContact O-N 3.1Å; L142-A144 VanDerWaalsContact C-N 3.29Å; L142-A144 PolarHBondContact O-N 2.88Å; A144-C146 PolarHBondContact O-N 2.77Å; A144-K147 PolarHBondContact O-N 3.34Å; A144-D148 PolarHBondContact O-N 2.94Å; A144-L149 HydrophobicContact CB-CB 3.68Å; A144-L149 HydrophobicContact CB-CD2 3.89Å; A144-L149 HydrophobicContact CB-CG 4.44Å; A144-L149 WeakPolarHBondContact O-CB 3.48Å; A144-L149 PolarHBondContact O-N 2.78Å
145	L	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-20.9	177.2	-69.8	165.9	0	0	0	113.4	F77 I86 Q121 I125 L129 Y141 L142 L149 V195	F77-L145 WeakPolarHBondContact CE1-O 3.34Å; I86-L145 HydrophobicContact CD1-CB 4.19Å; Q121-L145 VanDerWaalsContact NE2-CD2 3.3Å; Q121-L145 PolarHBondContact NE2-O 3.47Å; Q121-L145 VanDerWaalsContact NE2-O 3.1Å; I125-L145 HydrophobicContact CG2-CD1 4.16Å; I125-L145 HydrophobicContact CG2-CD2 3.87Å; L129-L145 HydrophobicContact CD1-CD1 3.29Å; Y141-L145 VanDerWaalsContact O-CG 3.31Å; Y141-L145 WeakPolarHBondContact O-CG 3.27Å; Y141-L145 PolarHBondContact O-N 2.7Å; L142-L145 HydrophobicContact CD2-CD1 4.24Å; L142-L145 PolarHBondContact O-N 2.67Å; L145-L149 HydrophobicContact CD2-CB 4.41Å; L145-L149 HydrophobicContact CD2-CD2 4.18Å; L145-L149 HydrophobicContact CD2-CG 4.14Å; L145-L149 WeakPolarHBondContact CD2-O 3.46Å; L145-L149 HydrophobicContact CG-CD2 4.29Å; L145-V195 HydrophobicContact CD2-CG1 4.33Å
146	C	98.6	Very high	98.6	Very high	16 Å²	16	42.7 Å²	42.7	11%	0.108	21%	0.208	C	C	.	.	H	α-helix	trans	-84	-20.3	170.9	-64.7	0	0	0	0	113.6	F77 I86 G92 L142 P143 A144	F77-C146 WeakPolarHBondContact CD1-O 3.41Å; I86-C146 WeakPolarHBondContact CD1-SG 3.28Å; I86-C146 VanDerWaalsContact CG2-SG 3.58Å; G92-C146 VanDerWaalsContact CA-SG 3.56Å; L142-C146 PolarHBondContact O-N 3.01Å; L142-C146 VanDerWaalsContact O-N 3.15Å; L142-C146 PolarHBondContact O-SG 3.1Å; L142-C146 VanDerWaalsContact O-SG 3.35Å; P143-C146 PolarHBondContact O-N 3.13Å; A144-C146 PolarHBondContact O-N 2.77Å
147	K	97.9	Very high	98.6	Very high	142 Å²	142	36.1 Å²	36.1	62%	0.617	18%	0.177	S	C	*	.	H	α-helix	trans	-113.4	-52.5	-165	-173.6	-170.9	171.4	-164.8	0	114.3	F77 P143 A144	F77-K147 VanDerWaalsContact CB-O 3.24Å; F77-K147 WeakPolarHBondContact CB-O 3.34Å; F77-K147 WeakPolarHBondContact CD1-O 3.49Å; F77-K147 VanDerWaalsContact CG-O 3.27Å; F77-K147 WeakPolarHBondContact CG-O 3.49Å; P143-K147 WeakPolarHBondContact O-CB 3.5Å; P143-K147 PolarHBondContact O-N 2.83Å; A144-K147 PolarHBondContact O-N 3.34Å
148	D	98.2	Very high	98.5	Very high	102 Å²	102	38.6 Å²	38.6	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-160	1	-169.1	52	22.6	0	0	0	115.3	A144	A144-D148 PolarHBondContact O-N 2.94Å
149	L	98.8	Very high	98.3	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.162	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-100.9	120.3	177.9	-175.2	64.6	0	0	0	111.1	F77 Q121 Y141 A144 L145 V195	F77-L149 WeakPolarHBondContact CZ-O 3.48Å; Q121-L149 PolarHBondContact NE2-O 2.95Å; Y141-L149 HydrophobicContact CD1-CD2 4Å; A144-L149 HydrophobicContact CB-CB 3.68Å; A144-L149 HydrophobicContact CB-CD2 3.89Å; A144-L149 HydrophobicContact CB-CG 4.44Å; A144-L149 WeakPolarHBondContact O-CB 3.48Å; A144-L149 PolarHBondContact O-N 2.78Å; L145-L149 HydrophobicContact CD2-CB 4.41Å; L145-L149 HydrophobicContact CD2-CD2 4.18Å; L145-L149 HydrophobicContact CD2-CG 4.14Å; L145-L149 WeakPolarHBondContact CD2-O 3.46Å; L145-L149 HydrophobicContact CG-CD2 4.29Å; L149-V195 HydrophobicContact CD1-CB 4.49Å; L149-V195 HydrophobicContact CD1-CG1 4.32Å; L149-V195 HydrophobicContact CD2-CB 4.23Å; L149-V195 HydrophobicContact CD2-CG1 3.77Å; L149-V195 HydrophobicContact CG-CG1 3.99Å
150	V	98.9	Very high	98	Very high	5 Å²	5	35 Å²	35	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.9	168.9	179.5	0	0	0	0	109.3	L73 F77 N189 H192 A193 G194	L73-V150 HydrophobicContact CD1-CG2 3.93Å; L73-V150 HydrophobicContact CD2-CG2 4.06Å; L73-V150 HydrophobicContact CG-CG2 4.46Å; F77-V150 HydrophobicContact CE2-CG2 3.94Å; F77-V150 HydrophobicContact CZ-CG2 3.8Å; V150-N189 HydrophobicContact CG1-CB 3.66Å; V150-H192 HydrophobicContact CB-CB 4.42Å; V150-H192 HydrophobicContact CG1-CB 4.49Å; V150-H192 HydrophobicContact CG2-CB 4.36Å; V150-A193 CarbonylContact O-C 3.55Å; V150-A193 WeakPolarHBondContact O-CA 3.38Å; V150-G194 PolarHBondContact O-N 3.08Å
151	G	98.9	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	157	171	0	0	0	0	0	113.3	V195	G151-V195 WeakPolarHBondContact CA-O 3.44Å
152	A	98.9	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.2	174	0	0	0	0	0	112.2	I187 T188 A193 V195 F196 L197	A152-I187 HydrophobicContact CB-CG2 3.74Å; A152-T188 WeakPolarHBondContact CB-O 3.34Å; A152-A193 HydrophobicContact CB-CB 3.5Å; A152-V195 PolarHBondContact N-O 3.45Å; A152-F196 HydrophobicContact CB-CD1 3.63Å; A152-F196 HydrophobicContact CB-CE1 3.88Å; A152-F196 WeakPolarHBondContact O-CA 3.47Å; A152-L197 PolarHBondContact O-N 3.47Å
153	F	98.8	Very high	97.4	Very high	21 Å²	21	39.3 Å²	39.3	9%	0.092	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	110.4	-176.8	-176	-93.5	0	0	0	110.3	L124 I125 L155 F199 A265 L269	L124-F153 HydrophobicContact CB-CB 4.31Å; L124-F153 HydrophobicContact CB-CD2 3.97Å; L124-F153 HydrophobicContact CB-CG 4.31Å; L124-F153 HydrophobicContact CD1-CB 3.88Å; L124-F153 HydrophobicContact CD1-CD1 4.15Å; L124-F153 HydrophobicContact CD1-CD2 4.24Å; L124-F153 HydrophobicContact CD1-CG 3.86Å; I125-F153 HydrophobicContact CD1-CB 4.16Å; F153-L155 HydrophobicContact CD1-CB 3.95Å; F153-L155 HydrophobicContact CE1-CB 3.43Å; F153-L155 VanDerWaalsContact CE1-CB 3.43Å; F153-L155 HydrophobicContact CE1-CD2 3.72Å; F153-L155 HydrophobicContact CE1-CG 4.21Å; F153-L155 HydrophobicContact CZ-CB 4.23Å; F153-L155 HydrophobicContact CZ-CD2 4.16Å; F153-F199 HydrophobicContact CD1-CE2 4.49Å; F153-F199 AromaticContact CD2-CE2 3.8Å; F153-F199 HydrophobicContact CD2-CE2 3.8Å; F153-F199 HydrophobicContact CD2-CZ 4.33Å; F153-F199 HydrophobicContact CE1-CE2 4.02Å; F153-F199 HydrophobicContact CE2-CD2 4.43Å; F153-F199 AromaticContact CE2-CE2 3.24Å; F153-F199 HydrophobicContact CE2-CE2 3.24Å; F153-F199 AromaticContact CE2-CZ 3.46Å; F153-F199 HydrophobicContact CE2-CZ 3.46Å; F153-F199 VanDerWaalsContact CE2-CZ 3.46Å; F153-F199 HydrophobicContact CG-CE2 4.41Å; F153-F199 HydrophobicContact CZ-CD2 4.25Å; F153-F199 AromaticContact CZ-CE2 3.35Å; F153-F199 HydrophobicContact CZ-CE2 3.35Å; F153-F199 AromaticContact CZ-CZ 3.7Å; F153-F199 HydrophobicContact CZ-CZ 3.7Å; F153-A265 HydrophobicContact CZ-CB 4.12Å; F153-L269 HydrophobicContact CE1-CD2 4.38Å; F153-L269 HydrophobicContact CZ-CG 4.47Å
154	C	98.9	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	77.1	-167.6	-80	0	0	0	0	112.2	K184 F196 L197 V198 F199	C154-K184 HydrophobicContact CB-CB 4.47Å; C154-K184 HydrophobicContact CB-CD 4.45Å; C154-K184 HydrophobicContact CB-CG 3.99Å; C154-K184 WeakPolarHBondContact O-CE 3.3Å; C154-F196 VanDerWaalsContact SG-CD1 3.57Å; C154-L197 WeakPolarHBondContact CA-O 3.19Å; C154-L197 VanDerWaalsContact CB-O 3.31Å; C154-L197 WeakPolarHBondContact CB-O 3.33Å; C154-L197 PolarHBondContact N-O 2.87Å; C154-V198 HydrophobicContact CB-CB 4.22Å; C154-V198 HydrophobicContact CB-CG1 4.34Å; C154-V198 HydrophobicContact CB-CG2 3.89Å; C154-F199 PolarHBondContact O-N 3.24Å
155	L	98.7	Very high	97.1	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	23%	0.225	C	C	.	.			trans	-107.2	-61.3	-179.4	-179	61	0	0	0	113	F153 A164 F165 L167 K184 F199 A265 L269	F153-L155 HydrophobicContact CD1-CB 3.95Å; F153-L155 HydrophobicContact CE1-CB 3.43Å; F153-L155 VanDerWaalsContact CE1-CB 3.43Å; F153-L155 HydrophobicContact CE1-CD2 3.72Å; F153-L155 HydrophobicContact CE1-CG 4.21Å; F153-L155 HydrophobicContact CZ-CB 4.23Å; F153-L155 HydrophobicContact CZ-CD2 4.16Å; L155-A164 HydrophobicContact CD1-CB 4.43Å; L155-A164 HydrophobicContact CD2-CB 3.82Å; L155-A164 HydrophobicContact CG-CB 4.05Å; L155-F165 HydrophobicContact CD1-CE1 4.34Å; L155-L167 HydrophobicContact CD1-CD2 4.03Å; L155-K184 PolarHBondContact O-NZ 3.42Å; L155-F199 HydrophobicContact CB-CD2 4Å; L155-F199 HydrophobicContact CD1-CB 3.83Å; L155-F199 HydrophobicContact CD1-CD2 4Å; L155-F199 HydrophobicContact CD1-CG 3.86Å; L155-A265 HydrophobicContact CD2-CB 4.31Å; L155-L269 HydrophobicContact CD2-CD1 3.97Å
156	S	98.4	Very high	97	Very high	36 Å²	36	39.8 Å²	39.8	25%	0.252	24%	0.236	S	C	.	.			trans	-67.3	150.7	-170.8	-60	0	0	0	0	113.8	S160 K184 L185	S156-S160 WeakPolarHBondContact CA-O 3.37Å; S156-K184 WeakPolarHBondContact O-CA 3.49Å; S156-K184 WeakPolarHBondContact O-CD 3.47Å; S156-L185 PolarHBondContact O-N 2.84Å
157	E	98.4	Very high	96.9	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.023	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-137.1	167.4	178.8	-51.7	-174.4	174.1	0	0	109.4	T159 S160 L167 K168 T169 E183 K184 W186	E157-T159 PolarHBondContact O-N 2.96Å; E157-T159 VanDerWaalsContact O-N 3.09Å; E157-S160 WeakPolarHBondContact CB-OG 3.22Å; E157-S160 PolarHBondContact N-O 3.11Å; E157-S160 PolarHBondContact N-OG 2.84Å; E157-S160 CarbonylContact O-C 3.58Å; E157-S160 PolarHBondContact O-N 3.16Å; E157-L167 HydrophobicContact CG-CB 4.33Å; E157-L167 WeakPolarHBondContact OE1-CB 3.19Å; E157-K168 PolarHBondContact OE1-N 3.15Å; E157-K168 WeakPolarHBondContact OE2-CA 3.3Å; E157-K168 PolarHBondContact OE2-N 3.14Å; E157-T169 WeakPolarHBondContact OE1-CB 3.43Å; E157-T169 PolarHBondContact OE1-N 3.49Å; E157-T169 PolarHBondContact OE1-OG1 3.4Å; E157-T169 PolarHBondContact OE2-N 2.89Å; E157-E183 WeakPolarHBondContact CG-O 3.4Å; E157-K184 HydrophobicContact CG-CD 3.92Å; E157-K184 IonicContact OE1-NZ 3.62Å; E157-K184 PolarHBondContact OE1-NZ 3.26Å; E157-W186 WeakPolarHBondContact O-CZ3 3.47Å
158	S	95.6	Very high	96.9	Very high	65 Å²	65	39.5 Å²	39.5	46%	0.455	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.6	176.1	53.2	0	0	0	0	112.9	E183	S158-E183 PolarHBondContact OG-OE1 3.11Å
159	T	94.4	Very high	97	Very high	95 Å²	95	34.6 Å²	34.6	58%	0.583	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-3.7	178	61.2	0	0	0	0	115	E157	E157-T159 PolarHBondContact O-N 2.96Å; E157-T159 VanDerWaalsContact O-N 3.09Å
160	S	92.6	Very high	97	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-142.8	93.9	-173.6	61.9	0	0	0	0	112.5	S156 E157 D163	S156-S160 WeakPolarHBondContact CA-O 3.37Å; E157-S160 WeakPolarHBondContact CB-OG 3.22Å; E157-S160 PolarHBondContact N-O 3.11Å; E157-S160 PolarHBondContact N-OG 2.84Å; E157-S160 CarbonylContact O-C 3.58Å; E157-S160 PolarHBondContact O-N 3.16Å; S160-D163 VanDerWaalsContact CB-O 3.31Å; S160-D163 WeakPolarHBondContact CB-O 3.44Å
161	G	93.6	Very high	97	Very high	39 Å²	39	34.4 Å²	34.4	40%	0.402	21%	0.207	S	C	.	.	S	Bend	trans	-103.4	-89.7	170.4	0	0	0	0	0	111.4	D163 A164	G161-D163 VanDerWaalsContact C-N 3.34Å; G161-D163 PolarHBondContact O-N 3.17Å; G161-A164 WeakPolarHBondContact O-CA 3.28Å; G161-A164 WeakPolarHBondContact O-CB 3.47Å; G161-A164 PolarHBondContact O-N 2.88Å
162	S	95.2	Very high	96.9	Very high	70 Å²	70	41.4 Å²	41.4	49%	0.49	24%	0.237	S	C	.	.	S	Bend	trans	-61.5	-38.5	177	-67.3	0	0	0	0	113.2	A164	S162-A164 PolarHBondContact O-N 3.03Å
163	D	95.4	Very high	96.8	Very high	110 Å²	110	50.7 Å²	50.7	59%	0.588	27%	0.272	S	S	*	.	S	Bend	trans	-88.1	62.9	168.2	-172.1	9.8	0	0	0	109.7	S160 G161 F165 A166	S160-D163 VanDerWaalsContact CB-O 3.31Å; S160-D163 WeakPolarHBondContact CB-O 3.44Å; G161-D163 VanDerWaalsContact C-N 3.34Å; G161-D163 PolarHBondContact O-N 3.17Å; D163-F165 PolarHBondContact O-N 3.44Å; D163-F165 VanDerWaalsContact O-N 3.11Å; D163-A166 HydrophobicContact CB-CB 4.39Å; D163-A166 WeakPolarHBondContact O-CB 3.41Å; D163-A166 PolarHBondContact O-N 3.29Å; D163-A166 VanDerWaalsContact O-N 3.12Å; D163-A166 WeakPolarHBondContact OD2-CB 3.2Å
164	A	93.2	Very high	96.7	Very high	13 Å²	13	52 Å²	52	11%	0.107	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60	-26.2	-169.5	0	0	0	0	0	113.4	L155 G161 S162	L155-A164 HydrophobicContact CD1-CB 4.43Å; L155-A164 HydrophobicContact CD2-CB 3.82Å; L155-A164 HydrophobicContact CG-CB 4.05Å; G161-A164 WeakPolarHBondContact O-CA 3.28Å; G161-A164 WeakPolarHBondContact O-CB 3.47Å; G161-A164 PolarHBondContact O-N 2.88Å; S162-A164 PolarHBondContact O-N 3.03Å
165	F	96.2	Very high	96.5	Very high	50 Å²	50	55 Å²	55	22%	0.219	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-91.1	2.8	-176.8	-52.9	-49.3	0	0	0	113.7	L155 D163 L167 I211 A265 M266	L155-F165 HydrophobicContact CD1-CE1 4.34Å; D163-F165 PolarHBondContact O-N 3.44Å; D163-F165 VanDerWaalsContact O-N 3.11Å; F165-L167 PolarHBondContact O-N 3.1Å; F165-I211 HydrophobicContact CB-CD1 3.78Å; F165-I211 HydrophobicContact CD1-CD1 3.92Å; F165-I211 HydrophobicContact CG-CD1 4.27Å; F165-A265 HydrophobicContact CE1-CB 3.92Å; F165-A265 HydrophobicContact CZ-CB 4.29Å; F165-M266 HydrophobicContact CE2-CG 3.66Å; F165-M266 HydrophobicContact CE2-SD 3.93Å; F165-M266 HydrophobicContact CZ-CG 3.51Å; F165-M266 HydrophobicContact CZ-SD 4.34Å
166	A	96.7	Very high	96.3	Very high	28 Å²	28	57.3 Å²	57.3	23%	0.231	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-81.3	7.2	166.1	0	0	0	0	0	113.8	D163 K168	D163-A166 HydrophobicContact CB-CB 4.39Å; D163-A166 WeakPolarHBondContact O-CB 3.41Å; D163-A166 PolarHBondContact O-N 3.29Å; D163-A166 VanDerWaalsContact O-N 3.12Å; D163-A166 WeakPolarHBondContact OD2-CB 3.2Å; A166-K168 WeakPolarHBondContact O-CE 3.4Å; A166-K168 PolarHBondContact O-NZ 3.22Å
167	L	98.2	Very high	96.2	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.042	34%	0.34	C	S	.	.			trans	-46.3	147.2	179.1	71.3	81.9	0	0	0	113.2	L155 E157 F165 T169 F199 N201 I211	L155-L167 HydrophobicContact CD1-CD2 4.03Å; E157-L167 HydrophobicContact CG-CB 4.33Å; E157-L167 WeakPolarHBondContact OE1-CB 3.19Å; F165-L167 PolarHBondContact O-N 3.1Å; L167-T169 WeakPolarHBondContact CD1-O 3Å; L167-F199 HydrophobicContact CD2-CB 3.95Å; L167-N201 HydrophobicContact CD1-CB 4.24Å; L167-I211 HydrophobicContact CD1-CG1 4.4Å; L167-I211 HydrophobicContact CD2-CD1 3.85Å; L167-I211 HydrophobicContact CD2-CG1 4.25Å; L167-I211 HydrophobicContact CD2-CG2 4.18Å; L167-I211 HydrophobicContact CG-CD1 4.02Å; L167-I211 HydrophobicContact CG-CG1 4.34Å
168	K	98	Very high	96.2	Very high	143 Å²	143	58.3 Å²	58.3	62%	0.622	34%	0.342	S	S	*	.			trans	-110.4	-13.3	-175.7	-56.4	-54.4	179.5	-156.8	0	113.3	E157 A166 T170	E157-K168 PolarHBondContact OE1-N 3.15Å; E157-K168 WeakPolarHBondContact OE2-CA 3.3Å; E157-K168 PolarHBondContact OE2-N 3.14Å; A166-K168 WeakPolarHBondContact O-CE 3.4Å; A166-K168 PolarHBondContact O-NZ 3.22Å; K168-T170 WeakPolarHBondContact O-CG2 3.48Å; K168-T170 PolarHBondContact O-N 2.72Å
169	T	98.8	Very high	96.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.329	C	S	.	.			trans	-56.7	130	171.7	-62.5	0	0	0	0	109.8	E157 L167 L180 E183 A200 N201	E157-T169 WeakPolarHBondContact OE1-CB 3.43Å; E157-T169 PolarHBondContact OE1-N 3.49Å; E157-T169 PolarHBondContact OE1-OG1 3.4Å; E157-T169 PolarHBondContact OE2-N 2.89Å; L167-T169 WeakPolarHBondContact CD1-O 3Å; T169-L180 HydrophobicContact CG2-CD1 3.55Å; T169-L180 HydrophobicContact CG2-CG 4.5Å; T169-E183 PolarHBondContact OG1-O 3.01Å; T169-A200 HydrophobicContact CG2-CB 3.74Å; T169-A200 WeakPolarHBondContact O-CA 3.43Å; T169-N201 PolarHBondContact O-N 3.35Å
170	T	98.6	Very high	96.6	Very high	31 Å²	31	52.3 Å²	52.3	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.6	-178.3	60.3	0	0	0	0	111.8	K168 L180 K181 N201 P204	K168-T170 WeakPolarHBondContact O-CG2 3.48Å; K168-T170 PolarHBondContact O-N 2.72Å; T170-L180 CarbonylContact O-C 3.52Å; T170-L180 WeakPolarHBondContact O-CA 3.17Å; T170-K181 PolarHBondContact N-O 3.32Å; T170-K181 PolarHBondContact O-N 2.97Å; T170-N201 VanDerWaalsContact CA-O 3.26Å; T170-N201 WeakPolarHBondContact CA-O 3.25Å; T170-P204 HydrophobicContact CG2-CG 4.26Å
171	A	98.8	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	95	171.3	0	0	0	0	0	109.1	Y178 I179 L180 A200 N201 V202 F214	A171-Y178 HydrophobicContact CB-CD1 4.28Å; A171-Y178 WeakPolarHBondContact O-CD1 3.48Å; A171-I179 CarbonylContact C-O 3.6Å; A171-I179 WeakPolarHBondContact CA-O 3.48Å; A171-L180 HydrophobicContact CB-CD1 4.23Å; A171-A200 HydrophobicContact CB-CB 3.96Å; A171-N201 PolarHBondContact N-O 2.64Å; A171-V202 HydrophobicContact CB-CG1 3.98Å; A171-V202 WeakPolarHBondContact O-CA 3.5Å; A171-F214 HydrophobicContact CB-CD2 4.46Å; A171-F214 HydrophobicContact CB-CE1 4.42Å; A171-F214 HydrophobicContact CB-CE2 3.57Å; A171-F214 HydrophobicContact CB-CZ 3.55Å
172	K	98.2	Very high	97.1	Very high	147 Å²	147	56.8 Å²	56.8	64%	0.639	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.4	-175.5	-68.6	-175.3	-179	-179.9	0	110.7	S174 Y178 I179	K172-S174 PolarHBondContact O-N 2.9Å; K172-Y178 CarbonylContact O-C 3.46Å; K172-Y178 WeakPolarHBondContact O-CA 3.19Å; K172-I179 PolarHBondContact N-O 3.1Å; K172-I179 PolarHBondContact O-N 2.81Å
173	R	97.3	Very high	97.3	Very high	195 Å²	195	57.4 Å²	57.4	74%	0.736	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.8	176.1	-165.4	173.1	-176.1	-175.9	4.4	110.9	Y178	R173-Y178 HydrophobicContact CB-CD1 4.41Å; R173-Y178 HydrophobicContact CB-CE1 4.22Å
174	S	96.1	Very high	97.4	Very high	49 Å²	49	52.2 Å²	52.2	34%	0.343	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	93.4	177.9	-174.9	0	0	0	0	109.1	K172 G176 D177	K172-S174 PolarHBondContact O-N 2.9Å; S174-G176 PolarHBondContact O-N 2.69Å; S174-D177 PolarHBondContact N-O 2.77Å; S174-D177 PolarHBondContact O-N 2.89Å; S174-D177 VanDerWaalsContact O-N 3.13Å
175	G	94.3	Very high	97.7	Very high	64 Å²	64	53.1 Å²	53.1	66%	0.66	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-124.6	-172.4	0	0	0	0	0	112	D177	G175-D177 VanDerWaalsContact C-N 3.3Å
176	G	93.6	Very high	97.7	Very high	55 Å²	55	56.8 Å²	56.8	57%	0.567	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.5	174.2	0	0	0	0	0	114.7	S174 A251	S174-G176 PolarHBondContact O-N 2.69Å; G176-A251 VanDerWaalsContact O-CB 3.31Å; G176-A251 WeakPolarHBondContact O-CB 2.95Å; G176-A251 PolarHBondContact O-N 3.28Å
177	D	97.7	Very high	97.8	Very high	43 Å²	43	55.7 Å²	55.7	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	178.4	-174.2	-57.8	-22	0	0	0	111.8	S174 G175 R248 I249	S174-D177 PolarHBondContact N-O 2.77Å; S174-D177 PolarHBondContact O-N 2.89Å; S174-D177 VanDerWaalsContact O-N 3.13Å; G175-D177 VanDerWaalsContact C-N 3.3Å; D177-R248 HydrophobicContact CB-CG 4.07Å; D177-R248 VanDerWaalsContact OD2-CD 3.25Å; D177-R248 WeakPolarHBondContact OD2-CD 3.45Å; D177-R248 WeakPolarHBondContact OD2-CG 3.41Å; D177-R248 IonicContact OD2-CZ 3.85Å; D177-R248 IonicContact OD2-NE 3.98Å; D177-R248 IonicContact OD2-NH1 2.66Å; D177-R248 PolarHBondContact OD2-NH1 2.89Å; D177-I249 CarbonylContact C-O 3.51Å; D177-I249 WeakPolarHBondContact CA-O 3.29Å; D177-I249 WeakPolarHBondContact CB-O 3.37Å
178	Y	98.5	Very high	97.8	Very high	18 Å²	18	56.5 Å²	56.5	7%	0.071	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.6	166.2	-65.8	-92.3	0	0	0	110.4	A171 K172 R173 V202 F214 R248 I249 A251 V254 I258	A171-Y178 HydrophobicContact CB-CD1 4.28Å; A171-Y178 WeakPolarHBondContact O-CD1 3.48Å; K172-Y178 CarbonylContact O-C 3.46Å; K172-Y178 WeakPolarHBondContact O-CA 3.19Å; R173-Y178 HydrophobicContact CB-CD1 4.41Å; R173-Y178 HydrophobicContact CB-CE1 4.22Å; Y178-V202 HydrophobicContact CD1-CG1 4.2Å; Y178-V202 HydrophobicContact CE1-CB 4.38Å; Y178-V202 HydrophobicContact CE1-CG1 3.92Å; Y178-F214 HydrophobicContact CD1-CE1 4.39Å; Y178-F214 HydrophobicContact CD1-CZ 4.23Å; Y178-F214 AromaticContact CD2-CE1 3.88Å; Y178-F214 HydrophobicContact CD2-CE1 3.88Å; Y178-F214 HydrophobicContact CE2-CE1 4.32Å; Y178-F214 AromaticContact CG-CE1 3.94Å; Y178-F214 HydrophobicContact CG-CE1 3.94Å; Y178-F214 HydrophobicContact CG-CZ 4.21Å; Y178-R248 CarbonylContact O-C 3.11Å; Y178-R248 WeakPolarHBondContact O-CA 3.48Å; Y178-I249 PolarHBondContact N-O 3.06Å; Y178-I249 PolarHBondContact O-N 2.97Å; Y178-A251 HydrophobicContact CE2-CB 4.39Å; Y178-V254 HydrophobicContact CE2-CG2 4.11Å; Y178-I258 WeakPolarHBondContact OH-CD1 3.28Å
179	I	98.7	Very high	97.9	Very high	35 Å²	35	49.8 Å²	49.8	18%	0.179	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105	167.6	-53.6	-57.4	0	0	0	107.4	A171 K172 E246 V247 R248	A171-I179 CarbonylContact C-O 3.6Å; A171-I179 WeakPolarHBondContact CA-O 3.48Å; K172-I179 PolarHBondContact N-O 3.1Å; K172-I179 PolarHBondContact O-N 2.81Å; I179-E246 HydrophobicContact CG2-CB 3.88Å; I179-E246 HydrophobicContact CG2-CG 4.44Å; I179-V247 WeakPolarHBondContact CA-O 3.4Å; I179-R248 HydrophobicContact CD1-CB 4.04Å; I179-R248 HydrophobicContact CD1-CG 4.27Å
180	L	98.8	Very high	97.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.8	176.7	176.6	71.5	0	0	0	109.8	T169 T170 A171 V198 A200 V216 F244 E246 V247 I249	T169-L180 HydrophobicContact CG2-CD1 3.55Å; T169-L180 HydrophobicContact CG2-CG 4.5Å; T170-L180 CarbonylContact O-C 3.52Å; T170-L180 WeakPolarHBondContact O-CA 3.17Å; A171-L180 HydrophobicContact CB-CD1 4.23Å; L180-V198 HydrophobicContact CD1-CG1 4.26Å; L180-V198 HydrophobicContact CD2-CG1 4.06Å; L180-A200 HydrophobicContact CD1-CB 3.42Å; L180-A200 VanDerWaalsContact CD1-CB 3.42Å; L180-V216 HydrophobicContact CD2-CG2 4.18Å; L180-F244 HydrophobicContact CD2-CB 3.91Å; L180-F244 HydrophobicContact CD2-CD1 3.41Å; L180-F244 VanDerWaalsContact CD2-CD1 3.41Å; L180-F244 HydrophobicContact CD2-CD2 4.32Å; L180-F244 HydrophobicContact CD2-CE1 3.99Å; L180-F244 HydrophobicContact CD2-CG 3.61Å; L180-F244 HydrophobicContact CG-CB 3.89Å; L180-F244 HydrophobicContact CG-CD1 4.34Å; L180-F244 HydrophobicContact CG-CG 4.09Å; L180-E246 CarbonylContact O-C 3.6Å; L180-E246 WeakPolarHBondContact O-CA 3.48Å; L180-E246 PolarHBondContact O-N 3Å; L180-V247 HydrophobicContact CB-CB 4.27Å; L180-V247 PolarHBondContact N-O 2.94Å; L180-V247 PolarHBondContact O-N 3Å; L180-I249 HydrophobicContact CB-CD1 3.52Å; L180-I249 HydrophobicContact CB-CG1 4.23Å; L180-I249 HydrophobicContact CD2-CD1 3.51Å; L180-I249 HydrophobicContact CG-CD1 4.1Å
181	K	98.8	Very high	97.8	Very high	109 Å²	109	51.5 Å²	51.5	47%	0.474	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126	178.1	-174.1	175.3	-168.9	156.4	0	111	T170 F244 E246	T170-K181 PolarHBondContact N-O 3.32Å; T170-K181 PolarHBondContact O-N 2.97Å; K181-F244 WeakPolarHBondContact CA-O 3.32Å; K181-E246 HydrophobicContact CD-CG 4.12Å; K181-E246 IonicContact NZ-OE1 2.67Å; K181-E246 PolarHBondContact NZ-OE1 3.26Å
182	G	98.6	Very high	97.8	Very high	25 Å²	25	54.4 Å²	54.4	26%	0.258	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160	-170.8	175.3	0	0	0	0	0	112.7	F244	G182-F244 PolarHBondContact N-O 2.88Å; G182-F244 VanDerWaalsContact N-O 3.12Å; G182-F244 PolarHBondContact O-N 3.15Å
183	E	98.5	Very high	97.8	Very high	82 Å²	82	47.4 Å²	47.4	38%	0.383	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.1	175.7	62.7	173.8	-162.3	0	0	109.4	E157 S158 T169 V242 H243	E157-E183 WeakPolarHBondContact CG-O 3.4Å; S158-E183 PolarHBondContact OG-OE1 3.11Å; T169-E183 PolarHBondContact OG1-O 3.01Å; E183-V242 WeakPolarHBondContact CA-O 3.41Å; E183-H243 IonicContact OE2-CE1 2.92Å; E183-H243 IonicContact OE2-ND1 2.86Å
184	K	98.8	Very high	97.9	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.2	173.3	-64.8	-66.6	-177.8	-168.2	0	108.5	C154 L155 S156 E157 I187 F199 P241 V242 F244	C154-K184 HydrophobicContact CB-CB 4.47Å; C154-K184 HydrophobicContact CB-CD 4.45Å; C154-K184 HydrophobicContact CB-CG 3.99Å; C154-K184 WeakPolarHBondContact O-CE 3.3Å; L155-K184 PolarHBondContact O-NZ 3.42Å; S156-K184 WeakPolarHBondContact O-CA 3.49Å; S156-K184 WeakPolarHBondContact O-CD 3.47Å; E157-K184 HydrophobicContact CG-CD 3.92Å; E157-K184 IonicContact OE1-NZ 3.62Å; E157-K184 PolarHBondContact OE1-NZ 3.26Å; K184-I187 HydrophobicContact CB-CD1 3.92Å; K184-I187 HydrophobicContact CB-CG1 3.74Å; K184-F199 VanDerWaalsContact CE-O 3.24Å; K184-F199 WeakPolarHBondContact CE-O 3.3Å; K184-F199 PolarHBondContact NZ-O 3.12Å; K184-P241 CarbonylContact O-C 3.33Å; K184-P241 VanDerWaalsContact O-CA 3.23Å; K184-P241 WeakPolarHBondContact O-CA 3.28Å; K184-V242 HydrophobicContact CB-CB 4.42Å; K184-V242 PolarHBondContact N-O 2.75Å; K184-V242 PolarHBondContact O-N 3.23Å; K184-F244 HydrophobicContact CB-CE2 4.34Å; K184-F244 HydrophobicContact CG-CD2 4.46Å; K184-F244 HydrophobicContact CG-CE2 3.7Å
185	L	97.7	Very high	98	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.168	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.7	-173.3	-165.3	62.1	0	0	0	111.2	S156 I187 P241	S156-L185 PolarHBondContact O-N 2.84Å; L185-I187 WeakPolarHBondContact O-CD1 3.19Å; L185-P241 HydrophobicContact CD1-CB 3.9Å; L185-P241 HydrophobicContact CD1-CG 3.77Å
186	W	97.7	Very high	98.3	Very high	128 Å²	128	33.9 Å²	33.9	49%	0.485	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.9	39.8	-177.3	-46.4	-66	0	0	0	114.3	E157 T188 T239	E157-W186 WeakPolarHBondContact O-CZ3 3.47Å; W186-T188 PolarHBondContact O-N 2.95Å; W186-T239 HydrophobicContact CB-CG2 3.96Å
187	I	98.7	Very high	98.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109.7	-175.5	-55.2	-46.3	0	0	0	110	A152 K184 L185 A190 T239 C240 V242	A152-I187 HydrophobicContact CB-CG2 3.74Å; K184-I187 HydrophobicContact CB-CD1 3.92Å; K184-I187 HydrophobicContact CB-CG1 3.74Å; L185-I187 WeakPolarHBondContact O-CD1 3.19Å; I187-A190 HydrophobicContact CB-CB 4.04Å; I187-A190 HydrophobicContact CG2-CB 3.93Å; I187-A190 VanDerWaalsContact O-CB 3.26Å; I187-A190 WeakPolarHBondContact O-CB 3.27Å; I187-A190 PolarHBondContact O-N 2.85Å; I187-T239 WeakPolarHBondContact O-CA 3.38Å; I187-C240 WeakPolarHBondContact CB-O 3.43Å; I187-C240 PolarHBondContact N-O 3.3Å; I187-C240 PolarHBondContact O-N 3.09Å; I187-C240 VanDerWaalsContact O-N 3.1Å; I187-V242 HydrophobicContact CB-CG2 3.96Å; I187-V242 HydrophobicContact CG1-CG2 4.01Å; I187-V242 HydrophobicContact CG2-CG2 4.18Å
188	T	98.7	Very high	98.6	Very high	26 Å²	26	29.3 Å²	29.3	16%	0.16	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	143.7	173.8	-54.8	0	0	0	0	110.9	I116 V120 A152 W186 A190 S238	I116-T188 HydrophobicContact CG1-CG2 4Å; V120-T188 HydrophobicContact CG2-CG2 3.94Å; A152-T188 WeakPolarHBondContact CB-O 3.34Å; W186-T188 PolarHBondContact O-N 2.95Å; T188-A190 PolarHBondContact O-N 2.93Å; T188-A190 VanDerWaalsContact O-N 3.11Å; T188-S238 CarbonylContact C-O 3.57Å; T188-S238 VanDerWaalsContact CA-O 3.3Å; T188-S238 WeakPolarHBondContact CA-O 3.48Å
189	N	98.7	Very high	98.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-3.7	-178.6	-64.9	-14	0	0	0	115.7	A117 V150 E191 H192 A193 S238	A117-N189 WeakPolarHBondContact CA-OD1 3.48Å; A117-N189 WeakPolarHBondContact CB-OD1 3.29Å; A117-N189 PolarHBondContact O-ND2 3.49Å; V150-N189 HydrophobicContact CG1-CB 3.66Å; N189-E191 PolarHBondContact O-N 3.38Å; N189-H192 PolarHBondContact O-N 3.39Å; N189-A193 WeakPolarHBondContact O-CB 3.25Å; N189-A193 PolarHBondContact O-N 3.09Å; N189-S238 VanDerWaalsContact C-OG 3.24Å; N189-S238 VanDerWaalsContact CA-OG 3.29Å; N189-S238 WeakPolarHBondContact CA-OG 3.39Å; N189-S238 PolarHBondContact N-O 2.53Å
190	A	98.6	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.9	-170.3	0	0	0	0	0	114.6	I187 T188 H192 F196 R218 V225 C240 V242	I187-A190 HydrophobicContact CB-CB 4.04Å; I187-A190 HydrophobicContact CG2-CB 3.93Å; I187-A190 VanDerWaalsContact O-CB 3.26Å; I187-A190 WeakPolarHBondContact O-CB 3.27Å; I187-A190 PolarHBondContact O-N 2.85Å; T188-A190 PolarHBondContact O-N 2.93Å; T188-A190 VanDerWaalsContact O-N 3.11Å; A190-H192 VanDerWaalsContact C-N 3.29Å; A190-H192 PolarHBondContact O-N 3.01Å; A190-F196 HydrophobicContact CB-CE1 4.31Å; A190-R218 PolarHBondContact O-NH1 2.75Å; A190-V225 HydrophobicContact CB-CG1 4.06Å; A190-C240 HydrophobicContact CB-CB 3.8Å; A190-V242 HydrophobicContact CB-CG2 3.83Å
191	E	98	Very high	98.6	Very high	67 Å²	67	27.4 Å²	27.4	31%	0.313	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.4	176.6	-172.1	168.2	-116.6	0	0	111.7	N189 R218 K228 S238	N189-E191 PolarHBondContact O-N 3.38Å; E191-R218 PolarHBondContact O-NH1 2.86Å; E191-R218 VanDerWaalsContact O-NH1 3.1Å; E191-R218 PolarHBondContact O-NH2 2.99Å; E191-R218 VanDerWaalsContact O-NH2 3.11Å; E191-K228 IonicContact OE1-NZ 2.71Å; E191-K228 PolarHBondContact OE1-NZ 3.35Å; E191-K228 IonicContact OE2-NZ 3.97Å; E191-K228 PolarHBondContact OE2-NZ 2.67Å; E191-S238 WeakPolarHBondContact CB-OG 3.16Å; E191-S238 PolarHBondContact N-OG 3.45Å
192	H	98.4	Very high	98.6	Very high	60 Å²	60	23.8 Å²	23.8	28%	0.278	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-17.1	-177.1	-51.2	-65.5	0	0	0	113.6	L73 V150 N189 A190 G194	L73-H192 HydrophobicContact CD2-CB 4.19Å; V150-H192 HydrophobicContact CB-CB 4.42Å; V150-H192 HydrophobicContact CG1-CB 4.49Å; V150-H192 HydrophobicContact CG2-CB 4.36Å; N189-H192 PolarHBondContact O-N 3.39Å; A190-H192 VanDerWaalsContact C-N 3.29Å; A190-H192 PolarHBondContact O-N 3.01Å; H192-G194 PolarHBondContact O-N 3.34Å
193	A	98.8	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126.1	-172.7	0	0	0	0	0	111.9	V150 A152 N189 F196 R218	V150-A193 CarbonylContact O-C 3.55Å; V150-A193 WeakPolarHBondContact O-CA 3.38Å; A152-A193 HydrophobicContact CB-CB 3.5Å; N189-A193 WeakPolarHBondContact O-CB 3.25Å; N189-A193 PolarHBondContact O-N 3.09Å; A193-F196 HydrophobicContact CB-CD1 4.4Å; A193-F196 HydrophobicContact CB-CE1 3.85Å; A193-F196 HydrophobicContact CB-CZ 4.15Å; A193-R218 VanDerWaalsContact O-CD 3.31Å; A193-R218 WeakPolarHBondContact O-CD 3.5Å; A193-R218 PolarHBondContact O-NH1 3.01Å
194	G	98.7	Very high	98.5	Very high	23 Å²	23	24.8 Å²	24.8	24%	0.237	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-16.1	171.3	0	0	0	0	0	112.8	V150 H192 R218	V150-G194 PolarHBondContact O-N 3.08Å; H192-G194 PolarHBondContact O-N 3.34Å; G194-R218 WeakPolarHBondContact O-CB 3.36Å; G194-R218 PolarHBondContact O-N 3.22Å
195	V	98.9	Very high	98.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.5	178.6	67.4	0	0	0	0	110.9	Y141 L145 L149 G151 A152 I215	Y141-V195 HydrophobicContact CD1-CG2 4.18Å; Y141-V195 HydrophobicContact CE1-CB 4.4Å; Y141-V195 HydrophobicContact CE1-CG2 3.8Å; L145-V195 HydrophobicContact CD2-CG1 4.33Å; L149-V195 HydrophobicContact CD1-CB 4.49Å; L149-V195 HydrophobicContact CD1-CG1 4.32Å; L149-V195 HydrophobicContact CD2-CB 4.23Å; L149-V195 HydrophobicContact CD2-CG1 3.77Å; L149-V195 HydrophobicContact CG-CG1 3.99Å; G151-V195 WeakPolarHBondContact CA-O 3.44Å; A152-V195 PolarHBondContact N-O 3.45Å; V195-I215 HydrophobicContact CG2-CG2 3.38Å
196	F	98.9	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.8	178.7	-56.7	-83.2	0	0	0	110.5	A152 C154 A190 A193 V198 V216 R218 V223 V225 V242	A152-F196 HydrophobicContact CB-CD1 3.63Å; A152-F196 HydrophobicContact CB-CE1 3.88Å; A152-F196 WeakPolarHBondContact O-CA 3.47Å; C154-F196 VanDerWaalsContact SG-CD1 3.57Å; A190-F196 HydrophobicContact CB-CE1 4.31Å; A193-F196 HydrophobicContact CB-CD1 4.4Å; A193-F196 HydrophobicContact CB-CE1 3.85Å; A193-F196 HydrophobicContact CB-CZ 4.15Å; F196-V198 HydrophobicContact CB-CG2 3.65Å; F196-V216 HydrophobicContact CB-CB 4.41Å; F196-V216 PolarHBondContact N-O 3.1Å; F196-V216 PolarHBondContact O-N 3.18Å; F196-R218 HydrophobicContact CE2-CB 3.8Å; F196-R218 HydrophobicContact CE2-CG 3.95Å; F196-R218 HydrophobicContact CZ-CG 4.37Å; F196-V223 HydrophobicContact CD2-CG1 4.36Å; F196-V223 HydrophobicContact CE2-CG1 4.02Å; F196-V225 HydrophobicContact CE1-CG2 4.48Å; F196-V225 HydrophobicContact CZ-CG2 3.77Å; F196-V242 HydrophobicContact CD1-CG1 4.46Å; F196-V242 HydrophobicContact CD1-CG2 4.5Å; F196-V242 HydrophobicContact CE1-CG1 4.2Å; F196-V242 HydrophobicContact CE1-CG2 3.99Å; F196-V242 HydrophobicContact CZ-CG1 4.28Å
197	L	98.9	Very high	98.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	98.4	164.9	-62.4	-170.2	0	0	0	108.4	I125 M128 A152 C154 F214 I215 L255	I125-L197 HydrophobicContact CD1-CD1 4.07Å; I125-L197 HydrophobicContact CD1-CG 4.13Å; M128-L197 HydrophobicContact CB-CD1 3.7Å; M128-L197 HydrophobicContact CG-CD1 4.21Å; A152-L197 PolarHBondContact O-N 3.47Å; C154-L197 WeakPolarHBondContact CA-O 3.19Å; C154-L197 VanDerWaalsContact CB-O 3.31Å; C154-L197 WeakPolarHBondContact CB-O 3.33Å; C154-L197 PolarHBondContact N-O 2.87Å; L197-F214 CarbonylContact C-O 3.58Å; L197-F214 WeakPolarHBondContact CA-O 3.4Å; L197-I215 HydrophobicContact CD2-CB 4.45Å; L197-I215 HydrophobicContact CD2-CG1 4Å; L197-I215 HydrophobicContact CD2-CG2 4.36Å; L197-L255 HydrophobicContact CD1-CD2 4.3Å; L197-L255 HydrophobicContact CD2-CD2 4.14Å
198	V	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.9	-170.3	-172.6	0	0	0	0	111.2	C154 L180 F196 C213 F214 V216 F244	C154-V198 HydrophobicContact CB-CB 4.22Å; C154-V198 HydrophobicContact CB-CG1 4.34Å; C154-V198 HydrophobicContact CB-CG2 3.89Å; L180-V198 HydrophobicContact CD1-CG1 4.26Å; L180-V198 HydrophobicContact CD2-CG1 4.06Å; F196-V198 HydrophobicContact CB-CG2 3.65Å; V198-C213 CarbonylContact O-C 3.59Å; V198-C213 WeakPolarHBondContact O-CA 3.42Å; V198-F214 PolarHBondContact N-O 3.28Å; V198-F214 PolarHBondContact O-N 2.92Å; V198-V216 HydrophobicContact CB-CG2 3.96Å; V198-V216 HydrophobicContact CG2-CB 3.96Å; V198-V216 HydrophobicContact CG2-CG2 3.53Å; V198-F244 HydrophobicContact CB-CZ 4.43Å; V198-F244 HydrophobicContact CG1-CE2 4.05Å; V198-F244 HydrophobicContact CG1-CZ 4.05Å; V198-F244 HydrophobicContact CG2-CE1 3.77Å; V198-F244 HydrophobicContact CG2-CE2 4.27Å; V198-F244 HydrophobicContact CG2-CZ 3.46Å; V198-F244 VanDerWaalsContact CG2-CZ 3.46Å
199	F	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.9	173.2	-63	-89.4	0	0	0	110	M128 F153 C154 L155 L167 K184 I211 T212 C213 G261 A265	M128-F199 HydrophobicContact CE-CE1 4.39Å; M128-F199 HydrophobicContact CE-CZ 3.99Å; F153-F199 HydrophobicContact CD1-CE2 4.49Å; F153-F199 AromaticContact CD2-CE2 3.8Å; F153-F199 HydrophobicContact CD2-CE2 3.8Å; F153-F199 HydrophobicContact CD2-CZ 4.33Å; F153-F199 HydrophobicContact CE1-CE2 4.02Å; F153-F199 HydrophobicContact CE2-CD2 4.43Å; F153-F199 AromaticContact CE2-CE2 3.24Å; F153-F199 HydrophobicContact CE2-CE2 3.24Å; F153-F199 AromaticContact CE2-CZ 3.46Å; F153-F199 HydrophobicContact CE2-CZ 3.46Å; F153-F199 VanDerWaalsContact CE2-CZ 3.46Å; F153-F199 HydrophobicContact CG-CE2 4.41Å; F153-F199 HydrophobicContact CZ-CD2 4.25Å; F153-F199 AromaticContact CZ-CE2 3.35Å; F153-F199 HydrophobicContact CZ-CE2 3.35Å; F153-F199 AromaticContact CZ-CZ 3.7Å; F153-F199 HydrophobicContact CZ-CZ 3.7Å; C154-F199 PolarHBondContact O-N 3.24Å; L155-F199 HydrophobicContact CB-CD2 4Å; L155-F199 HydrophobicContact CD1-CB 3.83Å; L155-F199 HydrophobicContact CD1-CD2 4Å; L155-F199 HydrophobicContact CD1-CG 3.86Å; L167-F199 HydrophobicContact CD2-CB 3.95Å; K184-F199 VanDerWaalsContact CE-O 3.24Å; K184-F199 WeakPolarHBondContact CE-O 3.3Å; K184-F199 PolarHBondContact NZ-O 3.12Å; F199-I211 HydrophobicContact CB-CG2 4.04Å; F199-I211 HydrophobicContact CD1-CG2 4.18Å; F199-T212 WeakPolarHBondContact CA-O 3.21Å; F199-C213 HydrophobicContact CD1-CB 4.12Å; F199-C213 HydrophobicContact CE1-CB 3.79Å; F199-C213 HydrophobicContact CZ-CB 4.35Å; F199-G261 WeakPolarHBondContact CD1-O 3.33Å; F199-G261 WeakPolarHBondContact CE1-O 3.29Å; F199-A265 HydrophobicContact CD1-CB 4.16Å; F199-A265 HydrophobicContact CE1-CB 3.64Å; F199-A265 HydrophobicContact CE2-CB 4.49Å; F199-A265 HydrophobicContact CZ-CB 3.83Å
200	A	98.9	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.4	-178	0	0	0	0	0	110.9	T169 A171 L180 T212 F214	T169-A200 HydrophobicContact CG2-CB 3.74Å; T169-A200 WeakPolarHBondContact O-CA 3.43Å; A171-A200 HydrophobicContact CB-CB 3.96Å; L180-A200 HydrophobicContact CD1-CB 3.42Å; L180-A200 VanDerWaalsContact CD1-CB 3.42Å; A200-T212 PolarHBondContact N-O 3.23Å; A200-T212 PolarHBondContact O-N 3.18Å; A200-F214 HydrophobicContact CB-CD2 4.2Å; A200-F214 HydrophobicContact CB-CE2 4.09Å
201	N	98.7	Very high	98.2	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117	-179.6	-158.1	-34.2	0	0	0	111	L167 T169 T170 A171 D203 G207 G210	L167-N201 HydrophobicContact CD1-CB 4.24Å; T169-N201 PolarHBondContact O-N 3.35Å; T170-N201 VanDerWaalsContact CA-O 3.26Å; T170-N201 WeakPolarHBondContact CA-O 3.25Å; A171-N201 PolarHBondContact N-O 2.64Å; N201-D203 PolarHBondContact OD1-N 3.41Å; N201-D203 PolarHBondContact OD1-O 2.96Å; N201-D203 VanDerWaalsContact OD1-O 3.12Å; N201-G207 PolarHBondContact ND2-O 2.97Å; N201-G210 WeakPolarHBondContact CA-O 3.39Å; N201-G210 VanDerWaalsContact OD1-C 3.24Å; N201-G210 VanDerWaalsContact OD1-CA 3.31Å; N201-G210 WeakPolarHBondContact OD1-CA 3.4Å; N201-G210 PolarHBondContact OD1-O 3.35Å
202	V	98.5	Very high	98.3	Very high	33 Å²	33	36.4 Å²	36.4	20%	0.2	20%	0.202	C	C	.	.	S	Bend	trans	-86.7	-19.7	177.1	-57.9	0	0	0	0	112.9	A171 Y178 G210 F214 I258	A171-V202 HydrophobicContact CB-CG1 3.98Å; A171-V202 WeakPolarHBondContact O-CA 3.5Å; Y178-V202 HydrophobicContact CD1-CG1 4.2Å; Y178-V202 HydrophobicContact CE1-CB 4.38Å; Y178-V202 HydrophobicContact CE1-CG1 3.92Å; V202-G210 WeakPolarHBondContact CG2-O 3.29Å; V202-G210 PolarHBondContact N-O 3.42Å; V202-F214 HydrophobicContact CG1-CE2 3.99Å; V202-F214 HydrophobicContact CG1-CZ 3.63Å; V202-I258 HydrophobicContact CG2-CG2 3.58Å
203	D	97.7	Very high	98.3	Very high	46 Å²	46	33.6 Å²	33.6	25%	0.246	19%	0.189	C	C	.	.			trans	-145.8	79.8	-176.9	-174	-5	0	0	0	109.7	N201 S205 K206	N201-D203 PolarHBondContact OD1-N 3.41Å; N201-D203 PolarHBondContact OD1-O 2.96Å; N201-D203 VanDerWaalsContact OD1-O 3.12Å; D203-S205 PolarHBondContact O-N 3.12Å; D203-S205 WeakPolarHBondContact OD1-CB 3.45Å; D203-S205 PolarHBondContact OD1-N 2.94Å; D203-S205 PolarHBondContact OD1-OG 3.22Å; D203-K206 HydrophobicContact CB-CD 4.35Å; D203-K206 PolarHBondContact O-N 2.87Å; D203-K206 WeakPolarHBondContact OD2-CD 3.49Å; D203-K206 WeakPolarHBondContact OD2-CE 3.46Å; D203-K206 WeakPolarHBondContact OD2-CG 3.48Å; D203-K206 IonicContact OD2-NZ 3.61Å; D203-K206 PolarHBondContact OD2-NZ 3.21Å
204	P	96.9	Very high	98.3	Very high	83 Å²	83	33.6 Å²	33.6	54%	0.539	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-56.4	-22.7	-177.5	-28.2	36.3	0	0	0	114.2	T170 K206 G207	T170-P204 HydrophobicContact CG2-CG 4.26Å; P204-K206 PolarHBondContact O-N 3.07Å; P204-G207 PolarHBondContact O-N 3.42Å; P204-G207 VanDerWaalsContact O-N 3.11Å
205	S	97.2	Very high	98.3	Very high	109 Å²	109	32.5 Å²	32.5	76%	0.762	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-64.9	-22.5	177	79.6	0	0	0	0	113	D203	D203-S205 PolarHBondContact O-N 3.12Å; D203-S205 WeakPolarHBondContact OD1-CB 3.45Å; D203-S205 PolarHBondContact OD1-N 2.94Å; D203-S205 PolarHBondContact OD1-OG 3.22Å
206	K	97.4	Very high	98.3	Very high	130 Å²	130	32.5 Å²	32.5	57%	0.565	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-91.8	5.2	175.9	-67.5	-179.7	-178	152.8	0	113.8	D203 P204 Y208 K209	D203-K206 HydrophobicContact CB-CD 4.35Å; D203-K206 PolarHBondContact O-N 2.87Å; D203-K206 WeakPolarHBondContact OD2-CD 3.49Å; D203-K206 WeakPolarHBondContact OD2-CE 3.46Å; D203-K206 WeakPolarHBondContact OD2-CG 3.48Å; D203-K206 IonicContact OD2-NZ 3.61Å; D203-K206 PolarHBondContact OD2-NZ 3.21Å; P204-K206 PolarHBondContact O-N 3.07Å; K206-Y208 PolarHBondContact O-N 2.79Å; K206-K209 HydrophobicContact CB-CB 4.33Å; K206-K209 PolarHBondContact O-N 2.61Å
207	G	96.1	Very high	98.3	Very high	36 Å²	36	34.1 Å²	34.1	37%	0.371	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	57.9	-135.5	-176.7	0	0	0	0	0	111.8	N201 P204 K209 G210	N201-G207 PolarHBondContact ND2-O 2.97Å; P204-G207 PolarHBondContact O-N 3.42Å; P204-G207 VanDerWaalsContact O-N 3.11Å; G207-K209 PolarHBondContact O-N 2.96Å; G207-K209 VanDerWaalsContact O-N 3.16Å; G207-G210 PolarHBondContact O-N 3.48Å
208	Y	97.6	Very high	98.3	Very high	111 Å²	111	37.6 Å²	37.6	44%	0.435	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-62.1	-22.4	-179	69.3	-96	0	0	0	113.7	K206 G210 I211 Y262	K206-Y208 PolarHBondContact O-N 2.79Å; Y208-G210 PolarHBondContact O-N 3.1Å; Y208-I211 VanDerWaalsContact O-CB 3.31Å; Y208-I211 WeakPolarHBondContact O-CB 3.18Å; Y208-I211 WeakPolarHBondContact O-CG1 3.29Å; Y208-I211 PolarHBondContact O-N 2.96Å; Y208-I211 VanDerWaalsContact O-N 3.12Å; Y208-Y262 AromaticContact CD2-CD1 3.8Å; Y208-Y262 HydrophobicContact CD2-CD1 3.8Å; Y208-Y262 AromaticContact CD2-CD2 3.67Å; Y208-Y262 HydrophobicContact CD2-CD2 3.67Å; Y208-Y262 HydrophobicContact CD2-CE1 4.04Å; Y208-Y262 AromaticContact CD2-CE2 3.93Å; Y208-Y262 HydrophobicContact CD2-CE2 3.93Å; Y208-Y262 AromaticContact CD2-CG 3.61Å; Y208-Y262 HydrophobicContact CD2-CG 3.61Å; Y208-Y262 HydrophobicContact CE2-CD1 4.34Å; Y208-Y262 AromaticContact CE2-CD2 3.93Å; Y208-Y262 HydrophobicContact CE2-CD2 3.93Å; Y208-Y262 HydrophobicContact CE2-CE1 4.12Å; Y208-Y262 AromaticContact CE2-CE2 3.7Å; Y208-Y262 HydrophobicContact CE2-CE2 3.7Å; Y208-Y262 HydrophobicContact CE2-CG 4.25Å; Y208-Y262 AromaticContact CE2-CZ 3.8Å; Y208-Y262 WeakPolarHBondContact O-CD1 3.47Å
209	K	98.1	Very high	98.2	Very high	117 Å²	117	45.6 Å²	45.6	51%	0.509	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-75.1	-5.5	176	-62.4	-176.5	177.8	-179.9	0	113.4	K206 G207 G259 Y262	K206-K209 HydrophobicContact CB-CB 4.33Å; K206-K209 PolarHBondContact O-N 2.61Å; G207-K209 PolarHBondContact O-N 2.96Å; G207-K209 VanDerWaalsContact O-N 3.16Å; K209-G259 WeakPolarHBondContact O-CA 3.39Å; K209-Y262 HydrophobicContact CG-CE1 4.27Å
210	G	98.3	Very high	98.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90.6	-6.1	168.2	0	0	0	0	0	113.4	N201 V202 G207 Y208 T212	N201-G210 WeakPolarHBondContact CA-O 3.39Å; N201-G210 VanDerWaalsContact OD1-C 3.24Å; N201-G210 VanDerWaalsContact OD1-CA 3.31Å; N201-G210 WeakPolarHBondContact OD1-CA 3.4Å; N201-G210 PolarHBondContact OD1-O 3.35Å; V202-G210 WeakPolarHBondContact CG2-O 3.29Å; V202-G210 PolarHBondContact N-O 3.42Å; G207-G210 PolarHBondContact O-N 3.48Å; Y208-G210 PolarHBondContact O-N 3.1Å; G210-T212 PolarHBondContact O-N 3.4Å
211	I	98.8	Very high	98.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.4	-179	-62.3	171.3	0	0	0	109.7	F165 L167 F199 Y208 G259 Q260 G261	F165-I211 HydrophobicContact CB-CD1 3.78Å; F165-I211 HydrophobicContact CD1-CD1 3.92Å; F165-I211 HydrophobicContact CG-CD1 4.27Å; L167-I211 HydrophobicContact CD1-CG1 4.4Å; L167-I211 HydrophobicContact CD2-CD1 3.85Å; L167-I211 HydrophobicContact CD2-CG1 4.25Å; L167-I211 HydrophobicContact CD2-CG2 4.18Å; L167-I211 HydrophobicContact CG-CD1 4.02Å; L167-I211 HydrophobicContact CG-CG1 4.34Å; F199-I211 HydrophobicContact CB-CG2 4.04Å; F199-I211 HydrophobicContact CD1-CG2 4.18Å; Y208-I211 VanDerWaalsContact O-CB 3.31Å; Y208-I211 WeakPolarHBondContact O-CB 3.18Å; Y208-I211 WeakPolarHBondContact O-CG1 3.29Å; Y208-I211 PolarHBondContact O-N 2.96Å; Y208-I211 VanDerWaalsContact O-N 3.12Å; I211-G259 CarbonylContact O-C 3.59Å; I211-G259 WeakPolarHBondContact O-CA 3.45Å; I211-Q260 PolarHBondContact O-N 3.21Å; I211-G261 WeakPolarHBondContact O-CA 3.46Å; I211-G261 PolarHBondContact O-N 3.18Å
212	T	98.9	Very high	98.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.2	178.2	-57.8	0	0	0	0	108.9	F199 A200 G210 F214 V254 I258 G259	F199-T212 WeakPolarHBondContact CA-O 3.21Å; A200-T212 PolarHBondContact N-O 3.23Å; A200-T212 PolarHBondContact O-N 3.18Å; G210-T212 PolarHBondContact O-N 3.4Å; T212-F214 HydrophobicContact CG2-CD2 4.38Å; T212-F214 HydrophobicContact CG2-CE1 4.47Å; T212-F214 HydrophobicContact CG2-CE2 3.83Å; T212-F214 HydrophobicContact CG2-CZ 3.89Å; T212-V254 HydrophobicContact CG2-CG1 3.66Å; T212-V254 HydrophobicContact CG2-CG2 4.32Å; T212-I258 HydrophobicContact CG2-CG1 4.5Å; T212-G259 PolarHBondContact OG1-N 3.47Å
213	C	98.9	Very high	98.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.1	173.2	-170.7	0	0	0	0	109.8	M128 V198 F199 L255 Y264	M128-C213 HydrophobicContact CE-CB 4.47Å; V198-C213 CarbonylContact O-C 3.59Å; V198-C213 WeakPolarHBondContact O-CA 3.42Å; F199-C213 HydrophobicContact CD1-CB 4.12Å; F199-C213 HydrophobicContact CE1-CB 3.79Å; F199-C213 HydrophobicContact CZ-CB 4.35Å; C213-L255 HydrophobicContact CB-CB 4.16Å; C213-L255 PolarHBondContact O-N 2.94Å; C213-Y264 HydrophobicContact CB-CD2 4.45Å
214	F	98.9	Very high	98.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.5	177	-64.4	-92.8	0	0	0	110.3	A171 Y178 L197 V198 A200 V202 T212 V216 I249 C253 V254	A171-F214 HydrophobicContact CB-CD2 4.46Å; A171-F214 HydrophobicContact CB-CE1 4.42Å; A171-F214 HydrophobicContact CB-CE2 3.57Å; A171-F214 HydrophobicContact CB-CZ 3.55Å; Y178-F214 HydrophobicContact CD1-CE1 4.39Å; Y178-F214 HydrophobicContact CD1-CZ 4.23Å; Y178-F214 AromaticContact CD2-CE1 3.88Å; Y178-F214 HydrophobicContact CD2-CE1 3.88Å; Y178-F214 HydrophobicContact CE2-CE1 4.32Å; Y178-F214 AromaticContact CG-CE1 3.94Å; Y178-F214 HydrophobicContact CG-CE1 3.94Å; Y178-F214 HydrophobicContact CG-CZ 4.21Å; L197-F214 CarbonylContact C-O 3.58Å; L197-F214 WeakPolarHBondContact CA-O 3.4Å; V198-F214 PolarHBondContact N-O 3.28Å; V198-F214 PolarHBondContact O-N 2.92Å; A200-F214 HydrophobicContact CB-CD2 4.2Å; A200-F214 HydrophobicContact CB-CE2 4.09Å; V202-F214 HydrophobicContact CG1-CE2 3.99Å; V202-F214 HydrophobicContact CG1-CZ 3.63Å; T212-F214 HydrophobicContact CG2-CD2 4.38Å; T212-F214 HydrophobicContact CG2-CE1 4.47Å; T212-F214 HydrophobicContact CG2-CE2 3.83Å; T212-F214 HydrophobicContact CG2-CZ 3.89Å; F214-V216 HydrophobicContact CB-CG2 3.92Å; F214-I249 HydrophobicContact CD1-CG2 4.43Å; F214-C253 CarbonylContact C-O 3.52Å; F214-C253 WeakPolarHBondContact CA-O 3.24Å; F214-V254 HydrophobicContact CD1-CG2 3.98Å; F214-V254 HydrophobicContact CE1-CG2 3.56Å; F214-V254 HydrophobicContact CZ-CG2 4.33Å
215	I	98.9	Very high	98.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.1	167.6	-45.6	169.7	0	0	0	107.8	L129 Q137 Y141 V195 L197 C253 L255	L129-I215 HydrophobicContact CD2-CD1 3.57Å; L129-I215 HydrophobicContact CD2-CG1 4.23Å; Q137-I215 HydrophobicContact CB-CD1 4.03Å; Q137-I215 HydrophobicContact CG-CD1 3.93Å; Y141-I215 HydrophobicContact CD2-CD1 4.2Å; Y141-I215 HydrophobicContact CD2-CG2 4.15Å; Y141-I215 HydrophobicContact CE1-CG2 4.01Å; Y141-I215 HydrophobicContact CE2-CB 4.34Å; Y141-I215 HydrophobicContact CE2-CD1 3.97Å; Y141-I215 HydrophobicContact CE2-CG2 3.55Å; Y141-I215 VanDerWaalsContact CZ-CG2 3.46Å; V195-I215 HydrophobicContact CG2-CG2 3.38Å; L197-I215 HydrophobicContact CD2-CB 4.45Å; L197-I215 HydrophobicContact CD2-CG1 4Å; L197-I215 HydrophobicContact CD2-CG2 4.36Å; I215-C253 PolarHBondContact N-O 3.48Å; I215-C253 WeakPolarHBondContact O-CB 3.43Å; I215-L255 HydrophobicContact CD1-CB 4.47Å; I215-L255 HydrophobicContact CD1-CD1 4.26Å; I215-L255 HydrophobicContact CG1-CB 4.05Å
216	V	98.9	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.5	-173.6	-170.2	0	0	0	0	109.4	L180 F196 V198 F214 L220 V223 F244 I249	L180-V216 HydrophobicContact CD2-CG2 4.18Å; F196-V216 HydrophobicContact CB-CB 4.41Å; F196-V216 PolarHBondContact N-O 3.1Å; F196-V216 PolarHBondContact O-N 3.18Å; V198-V216 HydrophobicContact CB-CG2 3.96Å; V198-V216 HydrophobicContact CG2-CB 3.96Å; V198-V216 HydrophobicContact CG2-CG2 3.53Å; F214-V216 HydrophobicContact CB-CG2 3.92Å; V216-L220 HydrophobicContact CG1-CD1 3.95Å; V216-V223 HydrophobicContact CG1-CG2 3.86Å; V216-F244 HydrophobicContact CG1-CE1 4.15Å; V216-I249 HydrophobicContact CG1-CD1 4.24Å; V216-I249 HydrophobicContact CG2-CD1 3.69Å
217	D	98.5	Very high	98.2	Very high	34 Å²	34	53.2 Å²	53.2	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140	174.2	-59.9	-71.7	0	0	0	110.6	R140 Y141 Q219 L220	R140-D217 IonicContact CZ-OD2 3.98Å; R140-D217 IonicContact NH1-OD2 2.78Å; R140-D217 IonicContact NH2-OD1 3.88Å; R140-D217 PolarHBondContact NH2-OD1 3.31Å; R140-D217 IonicContact NH2-OD2 3.03Å; R140-D217 PolarHBondContact NH2-OD2 3.21Å; Y141-D217 PolarHBondContact OH-OD1 3.27Å; D217-Q219 PolarHBondContact O-N 3.18Å; D217-Q219 VanDerWaalsContact O-N 3.13Å; D217-L220 HydrophobicContact CB-CG 4.22Å; D217-L220 PolarHBondContact O-N 2.94Å
218	R	98.4	Very high	98.3	Very high	75 Å²	75	53.3 Å²	53.3	28%	0.283	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.6	177.6	-171.8	-162.8	-172.6	100.7	-6.6	113.3	A190 E191 A193 G194 F196 L220	A190-R218 PolarHBondContact O-NH1 2.75Å; E191-R218 PolarHBondContact O-NH1 2.86Å; E191-R218 VanDerWaalsContact O-NH1 3.1Å; E191-R218 PolarHBondContact O-NH2 2.99Å; E191-R218 VanDerWaalsContact O-NH2 3.11Å; A193-R218 VanDerWaalsContact O-CD 3.31Å; A193-R218 WeakPolarHBondContact O-CD 3.5Å; A193-R218 PolarHBondContact O-NH1 3.01Å; G194-R218 WeakPolarHBondContact O-CB 3.36Å; G194-R218 PolarHBondContact O-N 3.22Å; F196-R218 HydrophobicContact CE2-CB 3.8Å; F196-R218 HydrophobicContact CE2-CG 3.95Å; F196-R218 HydrophobicContact CZ-CG 4.37Å; R218-L220 VanDerWaalsContact C-N 3.29Å; R218-L220 PolarHBondContact O-N 3.25Å
219	Q	97.4	Very high	98.3	Very high	168 Å²	168	51.5 Å²	51.5	79%	0.785	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.6	-174.1	-57.3	-58.6	-27	0	0	113.8	D217 T221	D217-Q219 PolarHBondContact O-N 3.18Å; D217-Q219 VanDerWaalsContact O-N 3.13Å; Q219-T221 PolarHBondContact O-N 3.45Å
220	L	98	Very high	98.2	Very high	48 Å²	48	52.2 Å²	52.2	25%	0.251	27%	0.268	S	S	.	.	S	Bend	trans	-66.3	134.2	176.2	-67.3	177.7	0	0	0	110.6	V216 D217 R218 G222 V223 V247	V216-L220 HydrophobicContact CG1-CD1 3.95Å; D217-L220 HydrophobicContact CB-CG 4.22Å; D217-L220 PolarHBondContact O-N 2.94Å; R218-L220 VanDerWaalsContact C-N 3.29Å; R218-L220 PolarHBondContact O-N 3.25Å; L220-G222 PolarHBondContact O-N 2.89Å; L220-V223 HydrophobicContact CB-CG2 3.93Å; L220-V223 WeakPolarHBondContact O-CB 3.47Å; L220-V223 WeakPolarHBondContact O-CG2 3.47Å; L220-V223 PolarHBondContact O-N 2.69Å; L220-V247 HydrophobicContact CB-CG1 3.93Å; L220-V247 HydrophobicContact CD1-CG1 4.21Å
221	T	98.3	Very high	98.2	Very high	134 Å²	134	53.9 Å²	53.9	82%	0.822	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130.1	176.5	-54.9	0	0	0	0	110.7	Q219	Q219-T221 PolarHBondContact O-N 3.45Å
222	G	98.4	Very high	98.2	Very high	22 Å²	22	59.3 Å²	59.3	23%	0.227	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-7.6	-177.3	0	0	0	0	0	114.4	L220 E245 V247	L220-G222 PolarHBondContact O-N 2.89Å; G222-E245 PolarHBondContact O-N 3.42Å; G222-V247 WeakPolarHBondContact O-CG2 3.47Å
223	V	98.8	Very high	98.1	Very high	19 Å²	19	59.6 Å²	59.6	12%	0.115	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.4	168.8	-176.5	0	0	0	0	109	F196 V216 L220 H243 F244 V247	F196-V223 HydrophobicContact CD2-CG1 4.36Å; F196-V223 HydrophobicContact CE2-CG1 4.02Å; V216-V223 HydrophobicContact CG1-CG2 3.86Å; L220-V223 HydrophobicContact CB-CG2 3.93Å; L220-V223 WeakPolarHBondContact O-CB 3.47Å; L220-V223 WeakPolarHBondContact O-CG2 3.47Å; L220-V223 PolarHBondContact O-N 2.69Å; V223-H243 WeakPolarHBondContact CA-O 3.42Å; V223-F244 HydrophobicContact CG1-CD1 4.5Å; V223-F244 HydrophobicContact CG1-CE1 4.2Å; V223-F244 HydrophobicContact CG2-CD1 4.09Å; V223-F244 HydrophobicContact CG2-CE1 4.33Å; V223-V247 HydrophobicContact CG2-CB 4.49Å; V223-V247 HydrophobicContact CG2-CG1 3.88Å; V223-V247 HydrophobicContact CG2-CG2 3.79Å
224	S	98.7	Very high	98.1	Very high	51 Å²	51	59.9 Å²	59.9	36%	0.357	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.8	171.9	68.6	0	0	0	0	112.1	V242 H243	S224-V242 CarbonylContact O-C 3.52Å; S224-V242 WeakPolarHBondContact O-CA 3.26Å; S224-H243 PolarHBondContact N-O 2.93Å; S224-H243 PolarHBondContact O-N 2.76Å
225	V	98.7	Very high	98.1	Very high	38 Å²	38	62.3 Å²	62.3	23%	0.23	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.7	175.4	-179.6	0	0	0	0	107.4	A190 F196 C240 V242	A190-V225 HydrophobicContact CB-CG1 4.06Å; F196-V225 HydrophobicContact CE1-CG2 4.48Å; F196-V225 HydrophobicContact CZ-CG2 3.77Å; V225-C240 HydrophobicContact CG1-CB 3.58Å; V225-V242 HydrophobicContact CG2-CG1 4.49Å; V225-V242 HydrophobicContact CG2-CG2 4.44Å
226	A	97.8	Very high	98.1	Very high	34 Å²	34	62.2 Å²	62.2	28%	0.281	32%	0.316	S	S	.	.			trans	-78.2	178	178.9	0	0	0	0	0	111.5	K228 P241	A226-K228 PolarHBondContact O-N 3.16Å; A226-P241 HydrophobicContact CB-CB 3.9Å; A226-P241 HydrophobicContact CB-CG 3.87Å; A226-P241 PolarHBondContact N-O 2.9Å
227	R	96.9	Very high	98	Very high	229 Å²	229	62.3 Å²	62.3	86%	0.864	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.1	-179.1	-173.6	180	177.3	-177.8	0.9	111.2	P241	R227-P241 WeakPolarHBondContact O-CD 3.4Å
228	K	96.5	Very high	98	Very high	37 Å²	37	60.8 Å²	60.8	16%	0.161	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-59	141.4	173.5	177.9	168.1	55.7	-166.7	0	112.6	S66 E191 A226 T239 C240	S66-K228 WeakPolarHBondContact O-CE 3.48Å; S66-K228 PolarHBondContact O-NZ 2.66Å; E191-K228 IonicContact OE1-NZ 2.71Å; E191-K228 PolarHBondContact OE1-NZ 3.35Å; E191-K228 IonicContact OE2-NZ 3.97Å; E191-K228 PolarHBondContact OE2-NZ 2.67Å; A226-K228 PolarHBondContact O-N 3.16Å; K228-T239 WeakPolarHBondContact CA-O 3.42Å; K228-C240 VanDerWaalsContact CA-SG 3.59Å
229	E	97.4	Very high	98	Very high	73 Å²	73	57.7 Å²	57.7	34%	0.341	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-67.6	137.8	176.3	-61.4	-61.2	166.6	0	0	112.4	K231 T239	E229-K231 HydrophobicContact CB-CG 3.94Å; E229-K231 PolarHBondContact O-N 3.06Å; E229-T239 HydrophobicContact CG-CG2 4.35Å; E229-T239 WeakPolarHBondContact CG-O 3.45Å; E229-T239 PolarHBondContact N-O 3.09Å
230	N	97.4	Very high	98.1	Very high	133 Å²	133	49.8 Å²	49.8	71%	0.711	26%	0.261	S	S	*	.			trans	-87.5	96.2	171.3	-175.6	17.8	0	0	0	110	R235	N230-R235 PolarHBondContact OD1-NH1 3.07Å; N230-R235 PolarHBondContact OD1-NH2 3.42Å
231	K	97.8	Very high	98.1	Very high	36 Å²	36	48.3 Å²	48.3	16%	0.157	26%	0.255	C	S	.	.			trans	-96.4	158.3	-167.3	-57.6	-174.4	-62	-71.5	0	113.8	E229 G233 I234 R235 S237 T239	E229-K231 HydrophobicContact CB-CG 3.94Å; E229-K231 PolarHBondContact O-N 3.06Å; K231-G233 WeakPolarHBondContact CB-O 3.3Å; K231-I234 VanDerWaalsContact CE-O 3.26Å; K231-I234 WeakPolarHBondContact CE-O 3.45Å; K231-I234 PolarHBondContact NZ-O 3.23Å; K231-R235 PolarHBondContact O-NH1 2.71Å; K231-S237 PolarHBondContact NZ-O 3.25Å; K231-T239 HydrophobicContact CD-CG2 4.39Å; K231-T239 WeakPolarHBondContact CD-OG1 3.19Å; K231-T239 WeakPolarHBondContact CE-OG1 3.42Å; K231-T239 PolarHBondContact NZ-OG1 3.23Å
232	L	98	Very high	98.1	Very high	114 Å²	114	41.9 Å²	41.9	60%	0.597	22%	0.216	S	C	*	.	S	Bend	trans	-57.5	-50	170.4	173.2	64.2	0	0	0	112.3	R384 K387	L232-R384 HydrophobicContact CD1-CG 4.14Å; L232-R384 HydrophobicContact CG-CB 4.38Å; L232-R384 WeakPolarHBondContact O-CD 3.28Å; L232-R384 PolarHBondContact O-NH1 3.16Å; L232-K387 HydrophobicContact CD2-CB 4.18Å; L232-K387 HydrophobicContact CD2-CG 4.23Å
233	G	98.2	Very high	98.2	Very high	6 Å²	6	43.3 Å²	43.3	6%	0.062	22%	0.216	C	C	.	.	S	Bend	trans	-139.4	-179	-178.1	0	0	0	0	0	111.3	K231 R235 D385	K231-G233 WeakPolarHBondContact CB-O 3.3Å; G233-R235 PolarHBondContact O-N 3.01Å; G233-D385 VanDerWaalsContact CA-OD1 3.25Å; G233-D385 WeakPolarHBondContact CA-OD1 3.47Å
234	I	98.5	Very high	98.2	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	21%	0.211	C	C	.	.			trans	46.2	43.9	-171.4	58.8	163.1	0	0	0	111.8	A112 S113 K231 A236 S237 D385 I388 Y392	A112-I234 HydrophobicContact CB-CG2 3.81Å; S113-I234 VanDerWaalsContact OG-C 3.26Å; S113-I234 VanDerWaalsContact OG-CA 3.26Å; S113-I234 WeakPolarHBondContact OG-CA 3.14Å; K231-I234 VanDerWaalsContact CE-O 3.26Å; K231-I234 WeakPolarHBondContact CE-O 3.45Å; K231-I234 PolarHBondContact NZ-O 3.23Å; I234-A236 VanDerWaalsContact C-N 3.3Å; I234-A236 PolarHBondContact O-N 3.38Å; I234-S237 WeakPolarHBondContact O-CB 3.46Å; I234-S237 PolarHBondContact O-N 2.85Å; I234-S237 VanDerWaalsContact O-N 3.13Å; I234-D385 HydrophobicContact CG2-CB 3.99Å; I234-D385 PolarHBondContact N-OD1 3.37Å; I234-I388 HydrophobicContact CD1-CB 4.39Å; I234-I388 HydrophobicContact CD1-CG1 4.06Å; I234-I388 HydrophobicContact CD1-CG2 4.03Å; I234-I388 HydrophobicContact CG1-CG2 4.4Å; I234-I388 HydrophobicContact CG2-CG2 4.37Å; I234-Y392 HydrophobicContact CD1-CE2 4.12Å
235	R	98.4	Very high	98.2	Very high	51 Å²	51	46.7 Å²	46.7	19%	0.192	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.6	-165	-65.7	179.2	57	78.2	-3.3	113.2	D63 S66 N230 K231 G233 S237	D63-R235 PolarHBondContact O-NE 2.82Å; D63-R235 WeakPolarHBondContact OD1-CD 3.32Å; S66-R235 CarbonylContact C-O 3.56Å; S66-R235 WeakPolarHBondContact CA-O 3.42Å; S66-R235 VanDerWaalsContact OG-CZ 3.23Å; S66-R235 PolarHBondContact OG-NE 3.47Å; S66-R235 PolarHBondContact OG-NH2 2.76Å; N230-R235 PolarHBondContact OD1-NH1 3.07Å; N230-R235 PolarHBondContact OD1-NH2 3.42Å; K231-R235 PolarHBondContact O-NH1 2.71Å; G233-R235 PolarHBondContact O-N 3.01Å; R235-S237 VanDerWaalsContact C-N 3.32Å
236	A	98.5	Very high	98.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.3	178.4	0	0	0	0	0	112.6	M62 L68 I234 S238	M62-A236 HydrophobicContact CB-CB 3.75Å; L68-A236 WeakPolarHBondContact CB-O 3.47Å; L68-A236 PolarHBondContact N-O 3.12Å; L68-A236 VanDerWaalsContact N-O 3.16Å; I234-A236 VanDerWaalsContact C-N 3.3Å; I234-A236 PolarHBondContact O-N 3.38Å; A236-S238 PolarHBondContact O-N 2.99Å
237	S	98.6	Very high	98.2	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	23%	0.228	C	C	.	.	S	Bend	trans	-69.9	130.3	175.8	178.9	0	0	0	0	109.3	I116 K231 I234 R235	I116-S237 VanDerWaalsContact CG2-OG 3.3Å; I116-S237 WeakPolarHBondContact CG2-OG 3.31Å; K231-S237 PolarHBondContact NZ-O 3.25Å; I234-S237 WeakPolarHBondContact O-CB 3.46Å; I234-S237 PolarHBondContact O-N 2.85Å; I234-S237 VanDerWaalsContact O-N 3.13Å; R235-S237 VanDerWaalsContact C-N 3.32Å
238	S	97.7	Very high	98.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	21%	0.21	C	C	.	.			trans	-74.8	136	175.8	57.5	0	0	0	0	111.5	T188 N189 E191 A236	T188-S238 CarbonylContact C-O 3.57Å; T188-S238 VanDerWaalsContact CA-O 3.3Å; T188-S238 WeakPolarHBondContact CA-O 3.48Å; N189-S238 VanDerWaalsContact C-OG 3.24Å; N189-S238 VanDerWaalsContact CA-OG 3.29Å; N189-S238 WeakPolarHBondContact CA-OG 3.39Å; N189-S238 PolarHBondContact N-O 2.53Å; E191-S238 WeakPolarHBondContact CB-OG 3.16Å; E191-S238 PolarHBondContact N-OG 3.45Å; A236-S238 PolarHBondContact O-N 2.99Å
239	T	98.5	Very high	98.3	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	108.9	176.8	-50.4	0	0	0	0	105.4	W186 I187 K228 E229 K231	W186-T239 HydrophobicContact CB-CG2 3.96Å; I187-T239 WeakPolarHBondContact O-CA 3.38Å; K228-T239 WeakPolarHBondContact CA-O 3.42Å; E229-T239 HydrophobicContact CG-CG2 4.35Å; E229-T239 WeakPolarHBondContact CG-O 3.45Å; E229-T239 PolarHBondContact N-O 3.09Å; K231-T239 HydrophobicContact CD-CG2 4.39Å; K231-T239 WeakPolarHBondContact CD-OG1 3.19Å; K231-T239 WeakPolarHBondContact CE-OG1 3.42Å; K231-T239 PolarHBondContact NZ-OG1 3.23Å
240	C	98.7	Very high	98.3	Very high	1 Å²	1	41 Å²	41	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.2	-172.1	-52.6	0	0	0	0	111.3	I187 A190 V225 K228	I187-C240 WeakPolarHBondContact CB-O 3.43Å; I187-C240 PolarHBondContact N-O 3.3Å; I187-C240 PolarHBondContact O-N 3.09Å; I187-C240 VanDerWaalsContact O-N 3.1Å; A190-C240 HydrophobicContact CB-CB 3.8Å; V225-C240 HydrophobicContact CG1-CB 3.58Å; K228-C240 VanDerWaalsContact CA-SG 3.59Å
241	P	98.6	Very high	98.2	Very high	17 Å²	17	37 Å²	37	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.9	156.1	-8.8	23.3	0	0	0	110.6	K184 L185 A226 R227	K184-P241 CarbonylContact O-C 3.33Å; K184-P241 VanDerWaalsContact O-CA 3.23Å; K184-P241 WeakPolarHBondContact O-CA 3.28Å; L185-P241 HydrophobicContact CD1-CB 3.9Å; L185-P241 HydrophobicContact CD1-CG 3.77Å; A226-P241 HydrophobicContact CB-CB 3.9Å; A226-P241 HydrophobicContact CB-CG 3.87Å; A226-P241 PolarHBondContact N-O 2.9Å; R227-P241 WeakPolarHBondContact O-CD 3.4Å
242	V	98.9	Very high	98.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.8	173.6	-172.3	0	0	0	0	108.2	E183 K184 I187 A190 F196 S224 V225 F244	E183-V242 WeakPolarHBondContact CA-O 3.41Å; K184-V242 HydrophobicContact CB-CB 4.42Å; K184-V242 PolarHBondContact N-O 2.75Å; K184-V242 PolarHBondContact O-N 3.23Å; I187-V242 HydrophobicContact CB-CG2 3.96Å; I187-V242 HydrophobicContact CG1-CG2 4.01Å; I187-V242 HydrophobicContact CG2-CG2 4.18Å; A190-V242 HydrophobicContact CB-CG2 3.83Å; F196-V242 HydrophobicContact CD1-CG1 4.46Å; F196-V242 HydrophobicContact CD1-CG2 4.5Å; F196-V242 HydrophobicContact CE1-CG1 4.2Å; F196-V242 HydrophobicContact CE1-CG2 3.99Å; F196-V242 HydrophobicContact CZ-CG1 4.28Å; S224-V242 CarbonylContact O-C 3.52Å; S224-V242 WeakPolarHBondContact O-CA 3.26Å; V225-V242 HydrophobicContact CG2-CG1 4.49Å; V225-V242 HydrophobicContact CG2-CG2 4.44Å; V242-F244 HydrophobicContact CB-CE2 4.26Å; V242-F244 HydrophobicContact CB-CZ 4.28Å; V242-F244 HydrophobicContact CG1-CE1 4.09Å; V242-F244 HydrophobicContact CG1-CE2 3.89Å; V242-F244 HydrophobicContact CG1-CZ 3.51Å
243	H	98.8	Very high	98.1	Very high	51 Å²	51	36 Å²	36	24%	0.236	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.7	-177.3	-55.6	-73.1	0	0	0	110.9	E183 V223 S224	E183-H243 IonicContact OE2-CE1 2.92Å; E183-H243 IonicContact OE2-ND1 2.86Å; V223-H243 WeakPolarHBondContact CA-O 3.42Å; S224-H243 PolarHBondContact N-O 2.93Å; S224-H243 PolarHBondContact O-N 2.76Å
244	F	98.8	Very high	98.2	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	97.5	176.9	-54.4	-82.8	0	0	0	108.3	L180 K181 G182 K184 V198 V216 V223 V242 E246 V247	L180-F244 HydrophobicContact CD2-CB 3.91Å; L180-F244 HydrophobicContact CD2-CD1 3.41Å; L180-F244 VanDerWaalsContact CD2-CD1 3.41Å; L180-F244 HydrophobicContact CD2-CD2 4.32Å; L180-F244 HydrophobicContact CD2-CE1 3.99Å; L180-F244 HydrophobicContact CD2-CG 3.61Å; L180-F244 HydrophobicContact CG-CB 3.89Å; L180-F244 HydrophobicContact CG-CD1 4.34Å; L180-F244 HydrophobicContact CG-CG 4.09Å; K181-F244 WeakPolarHBondContact CA-O 3.32Å; G182-F244 PolarHBondContact N-O 2.88Å; G182-F244 VanDerWaalsContact N-O 3.12Å; G182-F244 PolarHBondContact O-N 3.15Å; K184-F244 HydrophobicContact CB-CE2 4.34Å; K184-F244 HydrophobicContact CG-CD2 4.46Å; K184-F244 HydrophobicContact CG-CE2 3.7Å; V198-F244 HydrophobicContact CB-CZ 4.43Å; V198-F244 HydrophobicContact CG1-CE2 4.05Å; V198-F244 HydrophobicContact CG1-CZ 4.05Å; V198-F244 HydrophobicContact CG2-CE1 3.77Å; V198-F244 HydrophobicContact CG2-CE2 4.27Å; V198-F244 HydrophobicContact CG2-CZ 3.46Å; V198-F244 VanDerWaalsContact CG2-CZ 3.46Å; V216-F244 HydrophobicContact CG1-CE1 4.15Å; V223-F244 HydrophobicContact CG1-CD1 4.5Å; V223-F244 HydrophobicContact CG1-CE1 4.2Å; V223-F244 HydrophobicContact CG2-CD1 4.09Å; V223-F244 HydrophobicContact CG2-CE1 4.33Å; V242-F244 HydrophobicContact CB-CE2 4.26Å; V242-F244 HydrophobicContact CB-CZ 4.28Å; V242-F244 HydrophobicContact CG1-CE1 4.09Å; V242-F244 HydrophobicContact CG1-CE2 3.89Å; V242-F244 HydrophobicContact CG1-CZ 3.51Å; F244-E246 PolarHBondContact O-N 3.32Å; F244-V247 HydrophobicContact CB-CG2 3.96Å; F244-V247 HydrophobicContact CD1-CG2 4.27Å
245	E	98.6	Very high	98.2	Very high	139 Å²	139	36.3 Å²	36.3	65%	0.65	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	86.2	-179.1	-66.4	-178.9	-171.3	0	0	110.5	G222 V247	G222-E245 PolarHBondContact O-N 3.42Å; E245-V247 PolarHBondContact O-N 3.22Å
246	E	98.4	Very high	98.2	Very high	122 Å²	122	34.9 Å²	34.9	57%	0.57	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.3	42.3	177.4	-54.2	-162.3	155.1	0	0	113.3	I179 L180 K181 F244 R248	I179-E246 HydrophobicContact CG2-CB 3.88Å; I179-E246 HydrophobicContact CG2-CG 4.44Å; L180-E246 CarbonylContact O-C 3.6Å; L180-E246 WeakPolarHBondContact O-CA 3.48Å; L180-E246 PolarHBondContact O-N 3Å; K181-E246 HydrophobicContact CD-CG 4.12Å; K181-E246 IonicContact NZ-OE1 2.67Å; K181-E246 PolarHBondContact NZ-OE1 3.26Å; F244-E246 PolarHBondContact O-N 3.32Å; E246-R248 PolarHBondContact O-N 2.97Å
247	V	98.7	Very high	98.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	118.9	-178.7	-176.7	0	0	0	0	109.1	I179 L180 L220 G222 V223 F244 E245 I249	I179-V247 WeakPolarHBondContact CA-O 3.4Å; L180-V247 HydrophobicContact CB-CB 4.27Å; L180-V247 PolarHBondContact N-O 2.94Å; L180-V247 PolarHBondContact O-N 3Å; L220-V247 HydrophobicContact CB-CG1 3.93Å; L220-V247 HydrophobicContact CD1-CG1 4.21Å; G222-V247 WeakPolarHBondContact O-CG2 3.47Å; V223-V247 HydrophobicContact CG2-CB 4.49Å; V223-V247 HydrophobicContact CG2-CG1 3.88Å; V223-V247 HydrophobicContact CG2-CG2 3.79Å; F244-V247 HydrophobicContact CB-CG2 3.96Å; F244-V247 HydrophobicContact CD1-CG2 4.27Å; E245-V247 PolarHBondContact O-N 3.22Å; V247-I249 HydrophobicContact CB-CG1 4.48Å; V247-I249 HydrophobicContact CG1-CD1 4.35Å; V247-I249 HydrophobicContact CG1-CG1 3.86Å
248	R	98.6	Very high	98.2	Very high	129 Å²	129	45 Å²	45	49%	0.487	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.2	173.1	179.1	175.6	-69.1	-77.9	-4.9	109.7	D177 Y178 I179 E246	D177-R248 HydrophobicContact CB-CG 4.07Å; D177-R248 VanDerWaalsContact OD2-CD 3.25Å; D177-R248 WeakPolarHBondContact OD2-CD 3.45Å; D177-R248 WeakPolarHBondContact OD2-CG 3.41Å; D177-R248 IonicContact OD2-CZ 3.85Å; D177-R248 IonicContact OD2-NE 3.98Å; D177-R248 IonicContact OD2-NH1 2.66Å; D177-R248 PolarHBondContact OD2-NH1 2.89Å; Y178-R248 CarbonylContact O-C 3.11Å; Y178-R248 WeakPolarHBondContact O-CA 3.48Å; I179-R248 HydrophobicContact CD1-CB 4.04Å; I179-R248 HydrophobicContact CD1-CG 4.27Å; E246-R248 PolarHBondContact O-N 2.97Å
249	I	97.1	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.8	-177.6	-52.3	-179.3	0	0	0	109.2	D177 Y178 L180 F214 V216 V247 C253	D177-I249 CarbonylContact C-O 3.51Å; D177-I249 WeakPolarHBondContact CA-O 3.29Å; D177-I249 WeakPolarHBondContact CB-O 3.37Å; Y178-I249 PolarHBondContact N-O 3.06Å; Y178-I249 PolarHBondContact O-N 2.97Å; L180-I249 HydrophobicContact CB-CD1 3.52Å; L180-I249 HydrophobicContact CB-CG1 4.23Å; L180-I249 HydrophobicContact CD2-CD1 3.51Å; L180-I249 HydrophobicContact CG-CD1 4.1Å; F214-I249 HydrophobicContact CD1-CG2 4.43Å; V216-I249 HydrophobicContact CG1-CD1 4.24Å; V216-I249 HydrophobicContact CG2-CD1 3.69Å; V247-I249 HydrophobicContact CB-CG1 4.48Å; V247-I249 HydrophobicContact CG1-CD1 4.35Å; V247-I249 HydrophobicContact CG1-CG1 3.86Å; I249-C253 HydrophobicContact CG2-CB 3.19Å; I249-C253 VanDerWaalsContact CG2-SG 3.57Å
250	P	96.7	Very high	98.2	Very high	38 Å²	38	47.2 Å²	47.2	25%	0.247	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	153.7	174.2	-25.5	35.3	0	0	0	113.3	H252 C253	P250-H252 WeakPolarHBondContact CB-CE1 3.41Å; P250-H252 VanDerWaalsContact CB-ND1 3.3Å; P250-H252 WeakPolarHBondContact CB-ND1 3.32Å; P250-H252 PolarHBondContact O-N 3.28Å; P250-H252 VanDerWaalsContact O-N 3.15Å; P250-C253 WeakPolarHBondContact O-CB 3.37Å; P250-C253 PolarHBondContact O-N 2.84Å
251	A	96.3	Very high	98.2	Very high	51 Å²	51	47.1 Å²	47.1	42%	0.421	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57	-30.7	176.6	0	0	0	0	0	114.1	G176 Y178 C253 V254	G176-A251 VanDerWaalsContact O-CB 3.31Å; G176-A251 WeakPolarHBondContact O-CB 2.95Å; G176-A251 PolarHBondContact O-N 3.28Å; Y178-A251 HydrophobicContact CE2-CB 4.39Å; A251-C253 PolarHBondContact O-N 2.95Å; A251-C253 VanDerWaalsContact O-N 3.17Å; A251-V254 WeakPolarHBondContact O-CG2 3.32Å; A251-V254 PolarHBondContact O-N 3.18Å
252	H	96.5	Very high	98.1	Very high	121 Å²	121	48.7 Å²	48.7	56%	0.56	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-71.2	-4.9	179.4	70.7	-100.7	0	0	0	114.1	Q137 P250 V254	Q137-H252 PolarHBondContact NE2-O 3.37Å; P250-H252 WeakPolarHBondContact CB-CE1 3.41Å; P250-H252 VanDerWaalsContact CB-ND1 3.3Å; P250-H252 WeakPolarHBondContact CB-ND1 3.32Å; P250-H252 PolarHBondContact O-N 3.28Å; P250-H252 VanDerWaalsContact O-N 3.15Å; H252-V254 VanDerWaalsContact C-N 3.33Å
253	C	98.1	Very high	98.1	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.047	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-85.2	-5.9	172.6	-67.8	0	0	0	0	112.9	F214 I215 I249 P250 A251 L255	F214-C253 CarbonylContact C-O 3.52Å; F214-C253 WeakPolarHBondContact CA-O 3.24Å; I215-C253 PolarHBondContact N-O 3.48Å; I215-C253 WeakPolarHBondContact O-CB 3.43Å; I249-C253 HydrophobicContact CG2-CB 3.19Å; I249-C253 VanDerWaalsContact CG2-SG 3.57Å; P250-C253 WeakPolarHBondContact O-CB 3.37Å; P250-C253 PolarHBondContact O-N 2.84Å; A251-C253 PolarHBondContact O-N 2.95Å; A251-C253 VanDerWaalsContact O-N 3.17Å; C253-L255 PolarHBondContact O-N 3.11Å
254	V	98.7	Very high	98.1	Very high	18 Å²	18	50.1 Å²	50.1	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	126.1	170.7	176	0	0	0	0	108.4	Q137 Y178 T212 F214 A251 H252 G256 I258	Q137-V254 PolarHBondContact NE2-O 3.39Å; Y178-V254 HydrophobicContact CE2-CG2 4.11Å; T212-V254 HydrophobicContact CG2-CG1 3.66Å; T212-V254 HydrophobicContact CG2-CG2 4.32Å; F214-V254 HydrophobicContact CD1-CG2 3.98Å; F214-V254 HydrophobicContact CE1-CG2 3.56Å; F214-V254 HydrophobicContact CZ-CG2 4.33Å; A251-V254 WeakPolarHBondContact O-CG2 3.32Å; A251-V254 PolarHBondContact O-N 3.18Å; H252-V254 VanDerWaalsContact C-N 3.33Å; V254-G256 WeakPolarHBondContact CG1-O 3.47Å; V254-I258 HydrophobicContact CG1-CG1 4.24Å
255	L	98.8	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.3	172.3	178.8	62.5	0	0	0	109	M128 L129 Y132 L197 C213 I215 C253 Y264	M128-L255 HydrophobicContact CB-CD2 4.11Å; M128-L255 HydrophobicContact CE-CD2 3.74Å; L129-L255 HydrophobicContact CD2-CD1 4.09Å; Y132-L255 VanDerWaalsContact C-CD1 3.48Å; Y132-L255 WeakPolarHBondContact O-CD1 3.4Å; L197-L255 HydrophobicContact CD1-CD2 4.3Å; L197-L255 HydrophobicContact CD2-CD2 4.14Å; C213-L255 HydrophobicContact CB-CB 4.16Å; C213-L255 PolarHBondContact O-N 2.94Å; I215-L255 HydrophobicContact CD1-CB 4.47Å; I215-L255 HydrophobicContact CD1-CD1 4.26Å; I215-L255 HydrophobicContact CG1-CB 4.05Å; C253-L255 PolarHBondContact O-N 3.11Å; L255-Y264 WeakPolarHBondContact O-CE2 3.33Å
256	G	98.3	Very high	97.9	Very high	20 Å²	20	47.7 Å²	47.7	21%	0.206	24%	0.237	C	C	.	.	S	Bend	trans	65.1	-135	-173.6	0	0	0	0	0	112.5	Y132 V254	Y132-G256 WeakPolarHBondContact O-CA 3.2Å; Y132-G256 PolarHBondContact O-N 3.16Å; V254-G256 WeakPolarHBondContact CG1-O 3.47Å
257	E	98.3	Very high	97.8	Very high	121 Å²	121	45.7 Å²	45.7	57%	0.565	23%	0.227	S	C	*	.	S	Bend	trans	-101	146.8	-173.6	-66.8	174.4	-142	0	0	113.4	G259 Q260 Y264	E257-G259 PolarHBondContact O-N 3.25Å; E257-Q260 HydrophobicContact CB-CB 4.2Å; E257-Q260 HydrophobicContact CB-CG 3.67Å; E257-Q260 PolarHBondContact O-N 2.82Å; E257-Y264 PolarHBondContact N-OH 3Å
258	I	98.3	Very high	97.8	Very high	94 Å²	94	45.9 Å²	45.9	48%	0.482	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.7	172	-64.6	171.2	0	0	0	110.1	Y178 V202 T212 V254 Q260	Y178-I258 WeakPolarHBondContact OH-CD1 3.28Å; V202-I258 HydrophobicContact CG2-CG2 3.58Å; T212-I258 HydrophobicContact CG2-CG1 4.5Å; V254-I258 HydrophobicContact CG1-CG1 4.24Å; I258-Q260 VanDerWaalsContact C-N 3.29Å; I258-Q260 PolarHBondContact O-N 3.48Å
259	G	98.3	Very high	97.7	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-1.8	178.2	0	0	0	0	0	115.2	K209 I211 T212 E257 Y262	K209-G259 WeakPolarHBondContact O-CA 3.39Å; I211-G259 CarbonylContact O-C 3.59Å; I211-G259 WeakPolarHBondContact O-CA 3.45Å; T212-G259 PolarHBondContact OG1-N 3.47Å; E257-G259 PolarHBondContact O-N 3.25Å; G259-Y262 WeakPolarHBondContact O-CD1 3.42Å; G259-Y262 WeakPolarHBondContact O-CE1 3.35Å
260	Q	98.6	Very high	97.8	Very high	50 Å²	50	42 Å²	42	23%	0.234	22%	0.218	C	C	.	.			trans	-94.6	-0.9	176.9	-65.1	-59.9	-47	0	0	113.7	I211 E257 I258 Y262 R263 Y264	I211-Q260 PolarHBondContact O-N 3.21Å; E257-Q260 HydrophobicContact CB-CB 4.2Å; E257-Q260 HydrophobicContact CB-CG 3.67Å; E257-Q260 PolarHBondContact O-N 2.82Å; I258-Q260 VanDerWaalsContact C-N 3.29Å; I258-Q260 PolarHBondContact O-N 3.48Å; Q260-Y262 VanDerWaalsContact C-N 3.28Å; Q260-Y262 PolarHBondContact O-N 3.35Å; Q260-R263 WeakPolarHBondContact O-CB 3.43Å; Q260-R263 PolarHBondContact O-N 3.28Å; Q260-Y264 HydrophobicContact CB-CD1 4.42Å; Q260-Y264 HydrophobicContact CB-CD2 4.28Å; Q260-Y264 HydrophobicContact CB-CE1 3.82Å; Q260-Y264 HydrophobicContact CB-CE2 3.6Å; Q260-Y264 WeakPolarHBondContact CB-OH 3.31Å; Q260-Y264 PolarHBondContact O-N 3.48Å; Q260-Y264 VanDerWaalsContact O-N 3.07Å
261	G	98.7	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-36.2	-175.8	0	0	0	0	0	113.7	F199 I211 R263 Y264 A265	F199-G261 WeakPolarHBondContact CD1-O 3.33Å; F199-G261 WeakPolarHBondContact CE1-O 3.29Å; I211-G261 WeakPolarHBondContact O-CA 3.46Å; I211-G261 PolarHBondContact O-N 3.18Å; G261-R263 VanDerWaalsContact C-N 3.3Å; G261-R263 PolarHBondContact O-N 2.87Å; G261-Y264 PolarHBondContact O-N 2.93Å; G261-A265 WeakPolarHBondContact O-CB 3.45Å; G261-A265 PolarHBondContact O-N 2.93Å
262	Y	97.8	Very high	97.8	Very high	49 Å²	49	38.7 Å²	38.7	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-39.7	175.8	79.5	-86.6	0	0	0	112	Y208 K209 G259 Q260 M266	Y208-Y262 AromaticContact CD2-CD1 3.8Å; Y208-Y262 HydrophobicContact CD2-CD1 3.8Å; Y208-Y262 AromaticContact CD2-CD2 3.67Å; Y208-Y262 HydrophobicContact CD2-CD2 3.67Å; Y208-Y262 HydrophobicContact CD2-CE1 4.04Å; Y208-Y262 AromaticContact CD2-CE2 3.93Å; Y208-Y262 HydrophobicContact CD2-CE2 3.93Å; Y208-Y262 AromaticContact CD2-CG 3.61Å; Y208-Y262 HydrophobicContact CD2-CG 3.61Å; Y208-Y262 HydrophobicContact CE2-CD1 4.34Å; Y208-Y262 AromaticContact CE2-CD2 3.93Å; Y208-Y262 HydrophobicContact CE2-CD2 3.93Å; Y208-Y262 HydrophobicContact CE2-CE1 4.12Å; Y208-Y262 AromaticContact CE2-CE2 3.7Å; Y208-Y262 HydrophobicContact CE2-CE2 3.7Å; Y208-Y262 HydrophobicContact CE2-CG 4.25Å; Y208-Y262 AromaticContact CE2-CZ 3.8Å; Y208-Y262 WeakPolarHBondContact O-CD1 3.47Å; K209-Y262 HydrophobicContact CG-CE1 4.27Å; G259-Y262 WeakPolarHBondContact O-CD1 3.42Å; G259-Y262 WeakPolarHBondContact O-CE1 3.35Å; Q260-Y262 VanDerWaalsContact C-N 3.28Å; Q260-Y262 PolarHBondContact O-N 3.35Å; Y262-M266 HydrophobicContact CD2-SD 4.37Å; Y262-M266 VanDerWaalsContact O-CG 3.32Å; Y262-M266 WeakPolarHBondContact O-CG 3.23Å; Y262-M266 PolarHBondContact O-N 2.8Å
263	R	98.1	Very high	97.9	Very high	77 Å²	77	34 Å²	34	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-69.4	-45.8	-179.9	-179.3	177.2	66.8	84.1	-11.1	110.3	Q260 G261 A265 M266 E267	Q260-R263 WeakPolarHBondContact O-CB 3.43Å; Q260-R263 PolarHBondContact O-N 3.28Å; G261-R263 VanDerWaalsContact C-N 3.3Å; G261-R263 PolarHBondContact O-N 2.87Å; R263-A265 VanDerWaalsContact C-N 3.33Å; R263-A265 PolarHBondContact O-N 3.29Å; R263-M266 PolarHBondContact O-N 2.65Å; R263-M266 VanDerWaalsContact O-N 3.16Å; R263-E267 WeakPolarHBondContact CD-OE1 3.26Å; R263-E267 WeakPolarHBondContact CG-OE1 3.26Å; R263-E267 IonicContact CZ-OE1 2.63Å; R263-E267 IonicContact NH1-OE1 3.61Å; R263-E267 PolarHBondContact NH1-OE1 3.37Å; R263-E267 IonicContact NH1-OE2 3.03Å; R263-E267 PolarHBondContact NH1-OE2 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.46Å; R263-E267 PolarHBondContact O-N 3.31Å
264	Y	98.5	Very high	98	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-44.9	176.6	-54	-29	0	0	0	111.7	M128 Y132 C213 L255 E257 Q260 G261 M266 E267 A268	M128-Y264 HydrophobicContact CE-CG 4.41Å; Y132-Y264 AromaticContact CD1-CD1 3.69Å; Y132-Y264 HydrophobicContact CD1-CD1 3.69Å; Y132-Y264 AromaticContact CD1-CE1 3.37Å; Y132-Y264 HydrophobicContact CD1-CE1 3.37Å; Y132-Y264 HydrophobicContact CD1-CG 4.41Å; Y132-Y264 AromaticContact CD1-CZ 3.93Å; Y132-Y264 AromaticContact CD2-CD1 3.88Å; Y132-Y264 HydrophobicContact CD2-CD1 3.88Å; Y132-Y264 HydrophobicContact CD2-CD2 4.27Å; Y132-Y264 HydrophobicContact CD2-CE1 4.28Å; Y132-Y264 AromaticContact CD2-CG 3.86Å; Y132-Y264 HydrophobicContact CD2-CG 3.86Å; Y132-Y264 AromaticContact CE1-CD1 3.37Å; Y132-Y264 HydrophobicContact CE1-CD1 3.37Å; Y132-Y264 AromaticContact CE1-CE1 3.38Å; Y132-Y264 HydrophobicContact CE1-CE1 3.38Å; Y132-Y264 HydrophobicContact CE1-CG 4.31Å; Y132-Y264 AromaticContact CE2-CD1 3.58Å; Y132-Y264 HydrophobicContact CE2-CD1 3.58Å; Y132-Y264 HydrophobicContact CE2-CE1 4.29Å; Y132-Y264 AromaticContact CE2-CG 3.74Å; Y132-Y264 HydrophobicContact CE2-CG 3.74Å; Y132-Y264 AromaticContact CG-CD1 3.92Å; Y132-Y264 HydrophobicContact CG-CD1 3.92Å; Y132-Y264 HydrophobicContact CG-CD2 4.39Å; Y132-Y264 AromaticContact CG-CE1 3.84Å; Y132-Y264 HydrophobicContact CG-CE1 3.84Å; Y132-Y264 HydrophobicContact CG-CE2 4.37Å; Y132-Y264 HydrophobicContact CG-CG 4.18Å; Y132-Y264 AromaticContact CZ-CD1 3.3Å; Y132-Y264 AromaticContact CZ-CE1 3.86Å; Y132-Y264 AromaticContact CZ-CG 3.96Å; C213-Y264 HydrophobicContact CB-CD2 4.45Å; L255-Y264 WeakPolarHBondContact O-CE2 3.33Å; E257-Y264 PolarHBondContact N-OH 3Å; Q260-Y264 HydrophobicContact CB-CD1 4.42Å; Q260-Y264 HydrophobicContact CB-CD2 4.28Å; Q260-Y264 HydrophobicContact CB-CE1 3.82Å; Q260-Y264 HydrophobicContact CB-CE2 3.6Å; Q260-Y264 WeakPolarHBondContact CB-OH 3.31Å; Q260-Y264 PolarHBondContact O-N 3.48Å; Q260-Y264 VanDerWaalsContact O-N 3.07Å; G261-Y264 PolarHBondContact O-N 2.93Å; Y264-M266 PolarHBondContact O-N 2.94Å; Y264-E267 PolarHBondContact O-N 3.13Å; Y264-A268 WeakPolarHBondContact O-CB 3.25Å; Y264-A268 PolarHBondContact O-N 3.38Å
265	A	98.2	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-43.7	174.6	0	0	0	0	0	112.4	F153 L155 F165 F199 G261 R263 L269	F153-A265 HydrophobicContact CZ-CB 4.12Å; L155-A265 HydrophobicContact CD2-CB 4.31Å; F165-A265 HydrophobicContact CE1-CB 3.92Å; F165-A265 HydrophobicContact CZ-CB 4.29Å; F199-A265 HydrophobicContact CD1-CB 4.16Å; F199-A265 HydrophobicContact CE1-CB 3.64Å; F199-A265 HydrophobicContact CE2-CB 4.49Å; F199-A265 HydrophobicContact CZ-CB 3.83Å; G261-A265 WeakPolarHBondContact O-CB 3.45Å; G261-A265 PolarHBondContact O-N 2.93Å; R263-A265 VanDerWaalsContact C-N 3.33Å; R263-A265 PolarHBondContact O-N 3.29Å; A265-L269 VanDerWaalsContact O-CB 3.31Å; A265-L269 WeakPolarHBondContact O-CB 3.49Å; A265-L269 WeakPolarHBondContact O-CD1 3.4Å; A265-L269 WeakPolarHBondContact O-CG 3.45Å; A265-L269 PolarHBondContact O-N 3.26Å
266	M	96.2	Very high	98	Very high	91 Å²	91	32.8 Å²	32.8	45%	0.448	16%	0.16	S	C	.	.	H	α-helix	trans	-62.9	-44.1	177.4	-73.9	-178.6	64.5	0	0	112.3	F165 Y262 R263 Y264 N270	F165-M266 HydrophobicContact CE2-CG 3.66Å; F165-M266 HydrophobicContact CE2-SD 3.93Å; F165-M266 HydrophobicContact CZ-CG 3.51Å; F165-M266 HydrophobicContact CZ-SD 4.34Å; Y262-M266 HydrophobicContact CD2-SD 4.37Å; Y262-M266 VanDerWaalsContact O-CG 3.32Å; Y262-M266 WeakPolarHBondContact O-CG 3.23Å; Y262-M266 PolarHBondContact O-N 2.8Å; R263-M266 PolarHBondContact O-N 2.65Å; R263-M266 VanDerWaalsContact O-N 3.16Å; Y264-M266 PolarHBondContact O-N 2.94Å; M266-N270 PolarHBondContact O-N 3.27Å; M266-N270 VanDerWaalsContact O-N 3.11Å; M266-N270 PolarHBondContact O-ND2 2.91Å
267	E	96.3	Very high	98	Very high	79 Å²	79	31.8 Å²	31.8	37%	0.369	15%	0.15	S	C	.	.	H	α-helix	trans	-64.1	-47.9	179.4	-74.1	171.6	-155.8	0	0	110.9	Y132 R263 Y264 L269 N270 Q271	Y132-E267 PolarHBondContact OH-OE2 3.04Å; R263-E267 WeakPolarHBondContact CD-OE1 3.26Å; R263-E267 WeakPolarHBondContact CG-OE1 3.26Å; R263-E267 IonicContact CZ-OE1 2.63Å; R263-E267 IonicContact NH1-OE1 3.61Å; R263-E267 PolarHBondContact NH1-OE1 3.37Å; R263-E267 IonicContact NH1-OE2 3.03Å; R263-E267 PolarHBondContact NH1-OE2 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.46Å; R263-E267 PolarHBondContact O-N 3.31Å; Y264-E267 PolarHBondContact O-N 3.13Å; E267-L269 PolarHBondContact O-N 2.86Å; E267-N270 WeakPolarHBondContact O-CB 3.38Å; E267-N270 PolarHBondContact O-N 3.41Å; E267-Q271 PolarHBondContact O-N 2.84Å
268	A	97.5	Very high	98	Very high	5 Å²	5	26 Å²	26	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-44.9	176.2	0	0	0	0	0	112.6	L124 M128 Y264 N270 Q271 G272	L124-A268 HydrophobicContact CD2-CB 3.99Å; M128-A268 HydrophobicContact CG-CB 3.82Å; M128-A268 HydrophobicContact SD-CB 3.7Å; Y264-A268 WeakPolarHBondContact O-CB 3.25Å; Y264-A268 PolarHBondContact O-N 3.38Å; A268-N270 VanDerWaalsContact C-N 3.25Å; A268-N270 PolarHBondContact O-N 3.43Å; A268-Q271 WeakPolarHBondContact O-CA 3.31Å; A268-Q271 WeakPolarHBondContact O-CB 3.41Å; A268-Q271 PolarHBondContact O-N 3.06Å; A268-G272 PolarHBondContact O-N 3.31Å
269	L	97.7	Very high	98.1	Very high	29 Å²	29	21.6 Å²	21.6	15%	0.152	10%	0.1	C	C	.	.	H	α-helix	trans	-67.5	-23.4	178.9	-71.1	169.9	0	0	0	113.1	L124 F153 L155 A265 E267 Q271 R273 E393	L124-L269 HydrophobicContact CD2-CD2 4.24Å; F153-L269 HydrophobicContact CE1-CD2 4.38Å; F153-L269 HydrophobicContact CZ-CG 4.47Å; L155-L269 HydrophobicContact CD2-CD1 3.97Å; A265-L269 VanDerWaalsContact O-CB 3.31Å; A265-L269 WeakPolarHBondContact O-CB 3.49Å; A265-L269 WeakPolarHBondContact O-CD1 3.4Å; A265-L269 WeakPolarHBondContact O-CG 3.45Å; A265-L269 PolarHBondContact O-N 3.26Å; E267-L269 PolarHBondContact O-N 2.86Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-R273 WeakPolarHBondContact O-CD 3.28Å; L269-R273 WeakPolarHBondContact O-CG 3.36Å; L269-R273 PolarHBondContact O-N 3.14Å; L269-R273 VanDerWaalsContact O-N 3.14Å; L269-E393 HydrophobicContact CD2-CB 4.41Å; L269-E393 HydrophobicContact CD2-CG 4.09Å; L269-E393 WeakPolarHBondContact CD2-OE2 3.43Å
270	N	97.1	Very high	98.1	Very high	20 Å²	20	21.2 Å²	21.2	11%	0.107	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-37	171.1	-67.4	-36.5	0	0	0	111	M266 E267 A268 R273 F342 V343 A346	M266-N270 PolarHBondContact O-N 3.27Å; M266-N270 VanDerWaalsContact O-N 3.11Å; M266-N270 PolarHBondContact O-ND2 2.91Å; E267-N270 WeakPolarHBondContact O-CB 3.38Å; E267-N270 PolarHBondContact O-N 3.41Å; A268-N270 VanDerWaalsContact C-N 3.25Å; A268-N270 PolarHBondContact O-N 3.43Å; N270-R273 PolarHBondContact OD1-NH1 3.47Å; N270-F342 HydrophobicContact CB-CE2 3.99Å; N270-F342 HydrophobicContact CB-CZ 4.28Å; N270-V343 HydrophobicContact CB-CG2 4.46Å; N270-A346 WeakPolarHBondContact O-CB 3.22Å
271	Q	96.2	Very high	98.1	Very high	18 Å²	18	18.8 Å²	18.8	8%	0.084	9%	0.085	C	C	.	.	H	α-helix	trans	-71.6	-46.9	173.8	-178.4	172.8	-20.6	0	0	111.4	E85 F97 E267 A268 L269 R273 I274	E85-Q271 PolarHBondContact OE2-NE2 3.18Å; F97-Q271 HydrophobicContact CD2-CG 4.18Å; F97-Q271 HydrophobicContact CE1-CG 4.37Å; F97-Q271 HydrophobicContact CE2-CG 3.39Å; F97-Q271 HydrophobicContact CZ-CG 3.5Å; F97-Q271 VanDerWaalsContact CZ-CG 3.5Å; E267-Q271 PolarHBondContact O-N 2.84Å; A268-Q271 WeakPolarHBondContact O-CA 3.31Å; A268-Q271 WeakPolarHBondContact O-CB 3.41Å; A268-Q271 PolarHBondContact O-N 3.06Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; Q271-R273 VanDerWaalsContact C-N 3.27Å; Q271-R273 PolarHBondContact O-N 3.37Å; Q271-I274 WeakPolarHBondContact O-CB 3.23Å; Q271-I274 PolarHBondContact O-N 3.04Å
272	G	98.3	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.4	-33.7	179.6	0	0	0	0	0	113.8	A268 I274 G275 I276 E393	A268-G272 PolarHBondContact O-N 3.31Å; G272-I274 PolarHBondContact O-N 3.04Å; G272-I274 VanDerWaalsContact O-N 3.17Å; G272-G275 CarbonylContact O-C 3.55Å; G272-G275 WeakPolarHBondContact O-CA 3.46Å; G272-G275 PolarHBondContact O-N 2.88Å; G272-I276 WeakPolarHBondContact O-CG1 3.13Å; G272-I276 PolarHBondContact O-N 2.97Å; G272-E393 WeakPolarHBondContact CA-OE2 3.39Å
273	R	98.7	Very high	98.2	Very high	22 Å²	22	16.5 Å²	16.5	8%	0.083	8%	0.076	C	C	.	.	H	α-helix	trans	-54.9	-35.1	171.3	-76.2	164.1	-168	168.5	1.4	114.1	L269 N270 Q271 A277 A346 K350 E393 Q399	L269-R273 WeakPolarHBondContact O-CD 3.28Å; L269-R273 WeakPolarHBondContact O-CG 3.36Å; L269-R273 PolarHBondContact O-N 3.14Å; L269-R273 VanDerWaalsContact O-N 3.14Å; N270-R273 PolarHBondContact OD1-NH1 3.47Å; Q271-R273 VanDerWaalsContact C-N 3.27Å; Q271-R273 PolarHBondContact O-N 3.37Å; R273-A277 WeakPolarHBondContact O-CB 3.31Å; R273-A277 PolarHBondContact O-N 3.49Å; R273-A346 HydrophobicContact CB-CB 4.33Å; R273-K350 HydrophobicContact CB-CB 4Å; R273-K350 HydrophobicContact CB-CG 4.21Å; R273-K350 HydrophobicContact CG-CB 4.34Å; R273-K350 HydrophobicContact CG-CG 4.27Å; R273-K350 WeakPolarHBondContact O-CB 3.27Å; R273-E393 PolarHBondContact N-OE2 2.95Å; R273-Q399 VanDerWaalsContact CD-OE1 3.29Å; R273-Q399 VanDerWaalsContact NE-OE1 3.17Å
274	I	98.9	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-70.9	-39.5	176.9	-54.3	172.2	0	0	0	109.7	F97 V101 Q271 G272 A277 A278 T329 A332 A333 K336 F342 A346	F97-I274 HydrophobicContact CE1-CB 4.01Å; F97-I274 HydrophobicContact CE1-CD1 3.72Å; F97-I274 HydrophobicContact CE1-CG1 4.46Å; F97-I274 HydrophobicContact CE1-CG2 3.88Å; F97-I274 HydrophobicContact CZ-CB 4.01Å; F97-I274 HydrophobicContact CZ-CD1 4.3Å; F97-I274 HydrophobicContact CZ-CG2 4.21Å; V101-I274 HydrophobicContact CG2-CG2 3.77Å; Q271-I274 WeakPolarHBondContact O-CB 3.23Å; Q271-I274 PolarHBondContact O-N 3.04Å; G272-I274 PolarHBondContact O-N 3.04Å; G272-I274 VanDerWaalsContact O-N 3.17Å; I274-A277 WeakPolarHBondContact O-CB 3.21Å; I274-A277 PolarHBondContact O-N 3.49Å; I274-A278 PolarHBondContact O-N 3.25Å; I274-T329 HydrophobicContact CG2-CG2 3.95Å; I274-A332 HydrophobicContact CD1-CB 4.03Å; I274-A332 HydrophobicContact CG1-CB 4.09Å; I274-A333 HydrophobicContact CG2-CB 4.06Å; I274-K336 HydrophobicContact CD1-CB 4.39Å; I274-F342 HydrophobicContact CD1-CD2 3.88Å; I274-F342 HydrophobicContact CD1-CE2 4.07Å; I274-A346 HydrophobicContact CD1-CB 4.1Å; I274-A346 HydrophobicContact CG1-CB 3.62Å
275	G	98.8	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.4	-49.4	172.5	0	0	0	0	0	112.5	V104 D119 G272 A277 A278 Q279	V104-G275 WeakPolarHBondContact CG1-O 3.41Å; D119-G275 WeakPolarHBondContact OD2-CA 3.23Å; G272-G275 CarbonylContact O-C 3.55Å; G272-G275 WeakPolarHBondContact O-CA 3.46Å; G272-G275 PolarHBondContact O-N 2.88Å; G275-A277 VanDerWaalsContact C-N 3.27Å; G275-A277 PolarHBondContact O-N 2.96Å; G275-A278 VanDerWaalsContact O-CB 3.31Å; G275-A278 WeakPolarHBondContact O-CB 3.37Å; G275-A278 PolarHBondContact O-N 2.93Å; G275-A278 VanDerWaalsContact O-N 3.09Å; G275-Q279 PolarHBondContact O-N 3.49Å
276	I	98.9	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.9	-38.9	175.2	-59.7	-53.3	0	0	0	111.5	I116 D119 G272 Q279 M280 K350 Y392 E393	I116-I276 HydrophobicContact CD1-CD1 3.51Å; D119-I276 WeakPolarHBondContact OD2-CD1 3.37Å; D119-I276 PolarHBondContact OD2-N 3.28Å; G272-I276 WeakPolarHBondContact O-CG1 3.13Å; G272-I276 PolarHBondContact O-N 2.97Å; I276-Q279 WeakPolarHBondContact O-CB 3.46Å; I276-Q279 PolarHBondContact O-N 2.98Å; I276-M280 HydrophobicContact CG2-CG 4.46Å; I276-M280 WeakPolarHBondContact O-CG 3.33Å; I276-M280 PolarHBondContact O-N 2.92Å; I276-K350 HydrophobicContact CB-CG 4.12Å; I276-K350 HydrophobicContact CG2-CD 4.46Å; I276-K350 HydrophobicContact CG2-CG 3.98Å; I276-Y392 HydrophobicContact CB-CE1 4.48Å; I276-Y392 HydrophobicContact CD1-CD1 4.11Å; I276-Y392 HydrophobicContact CD1-CE1 3.49Å; I276-Y392 VanDerWaalsContact CD1-CE1 3.49Å; I276-Y392 HydrophobicContact CD1-CE2 4.38Å; I276-Y392 HydrophobicContact CG1-CD1 4.43Å; I276-Y392 HydrophobicContact CG1-CE1 4.07Å; I276-Y392 HydrophobicContact CG2-CD1 4.25Å; I276-Y392 HydrophobicContact CG2-CE1 3.61Å; I276-E393 HydrophobicContact CD1-CG 4.34Å; I276-E393 HydrophobicContact CG1-CB 4.02Å; I276-E393 HydrophobicContact CG1-CG 3.94Å
277	A	99	Very high	98.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.4	-43.9	176.5	0	0	0	0	0	111.7	R273 I274 G275 Q279 M280 I281 T329 A349 S353	R273-A277 WeakPolarHBondContact O-CB 3.31Å; R273-A277 PolarHBondContact O-N 3.49Å; I274-A277 WeakPolarHBondContact O-CB 3.21Å; I274-A277 PolarHBondContact O-N 3.49Å; G275-A277 VanDerWaalsContact C-N 3.27Å; G275-A277 PolarHBondContact O-N 2.96Å; A277-Q279 VanDerWaalsContact C-N 3.31Å; A277-Q279 PolarHBondContact O-N 3.31Å; A277-M280 PolarHBondContact O-N 3.4Å; A277-I281 WeakPolarHBondContact O-CD1 3.33Å; A277-I281 VanDerWaalsContact O-CG1 3.31Å; A277-I281 WeakPolarHBondContact O-CG1 3.41Å; A277-I281 PolarHBondContact O-N 3.23Å; A277-T329 HydrophobicContact CB-CG2 3.76Å; A277-T329 WeakPolarHBondContact CB-OG1 3.37Å; A277-A349 HydrophobicContact CB-CB 4.04Å; A277-S353 VanDerWaalsContact CA-OG 3.25Å; A277-S353 WeakPolarHBondContact CA-OG 3.09Å; A277-S353 WeakPolarHBondContact CB-OG 3.41Å
278	A	98.9	Very high	98.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.1	-43	174.7	0	0	0	0	0	111.7	V101 V104 E105 I274 G275 M280 I281 G282 T329	V101-A278 HydrophobicContact CB-CB 4.41Å; V101-A278 HydrophobicContact CG1-CB 3.76Å; V104-A278 HydrophobicContact CB-CB 4.25Å; V104-A278 HydrophobicContact CG1-CB 4.09Å; E105-A278 HydrophobicContact CB-CB 4.49Å; I274-A278 PolarHBondContact O-N 3.25Å; G275-A278 VanDerWaalsContact O-CB 3.31Å; G275-A278 WeakPolarHBondContact O-CB 3.37Å; G275-A278 PolarHBondContact O-N 2.93Å; G275-A278 VanDerWaalsContact O-N 3.09Å; A278-M280 PolarHBondContact O-N 3.4Å; A278-I281 PolarHBondContact O-N 3.33Å; A278-G282 PolarHBondContact O-N 2.9Å; A278-T329 HydrophobicContact CB-CG2 4.35Å
279	Q	98.9	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.4	-171.5	-155	39.6	0	0	111.6	V104 A108 A112 A115 G275 I276 A277 G282 L283 Y392	V104-Q279 HydrophobicContact CG1-CB 3.78Å; A108-Q279 HydrophobicContact CB-CB 4.3Å; A108-Q279 HydrophobicContact CB-CG 3.8Å; A108-Q279 VanDerWaalsContact CB-O 3.23Å; A108-Q279 WeakPolarHBondContact CB-O 3.28Å; A112-Q279 HydrophobicContact CB-CG 4.27Å; A112-Q279 PolarHBondContact O-NE2 2.79Å; A115-Q279 HydrophobicContact CB-CG 4.01Å; G275-Q279 PolarHBondContact O-N 3.49Å; I276-Q279 WeakPolarHBondContact O-CB 3.46Å; I276-Q279 PolarHBondContact O-N 2.98Å; A277-Q279 VanDerWaalsContact C-N 3.31Å; A277-Q279 PolarHBondContact O-N 3.31Å; Q279-G282 PolarHBondContact O-N 3.09Å; Q279-L283 VanDerWaalsContact O-CB 3.31Å; Q279-L283 WeakPolarHBondContact O-CB 3.36Å; Q279-L283 PolarHBondContact O-N 3.16Å; Q279-Y392 PolarHBondContact NE2-OH 2.93Å; Q279-Y392 VanDerWaalsContact NE2-OH 3.09Å; Q279-Y392 PolarHBondContact OE1-OH 3.43Å
280	M	98.9	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-39	178.3	-70.3	-58.2	104.8	0	0	112.2	I276 A277 A278 S284 A357 C386	I276-M280 HydrophobicContact CG2-CG 4.46Å; I276-M280 WeakPolarHBondContact O-CG 3.33Å; I276-M280 PolarHBondContact O-N 2.92Å; A277-M280 PolarHBondContact O-N 3.4Å; A278-M280 PolarHBondContact O-N 3.4Å; M280-S284 WeakPolarHBondContact O-CB 3.39Å; M280-S284 PolarHBondContact O-N 2.89Å; M280-S284 VanDerWaalsContact O-N 3.07Å; M280-S284 PolarHBondContact O-OG 3.42Å; M280-A357 HydrophobicContact CB-CB 4.03Å; M280-A357 HydrophobicContact CG-CB 4.45Å; M280-A357 HydrophobicContact SD-CB 3.94Å; M280-C386 HydrophobicContact SD-CB 4.36Å
281	I	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.6	-49.5	173.6	-68.4	155.4	0	0	0	110.5	E105 A277 A278 L283 S284 Q285 L322 A325 R326 T329	E105-I281 HydrophobicContact CG-CG2 4.12Å; E105-I281 WeakPolarHBondContact OE1-CG2 3.32Å; A277-I281 WeakPolarHBondContact O-CD1 3.33Å; A277-I281 VanDerWaalsContact O-CG1 3.31Å; A277-I281 WeakPolarHBondContact O-CG1 3.41Å; A277-I281 PolarHBondContact O-N 3.23Å; A278-I281 PolarHBondContact O-N 3.33Å; I281-L283 PolarHBondContact O-N 3.43Å; I281-S284 WeakPolarHBondContact O-CB 3.48Å; I281-S284 PolarHBondContact O-N 3.44Å; I281-Q285 WeakPolarHBondContact O-CB 3.33Å; I281-Q285 PolarHBondContact O-N 2.94Å; I281-L322 HydrophobicContact CB-CD1 4.27Å; I281-L322 HydrophobicContact CG1-CD1 4.4Å; I281-L322 HydrophobicContact CG2-CD1 3.89Å; I281-A325 HydrophobicContact CG1-CB 4.17Å; I281-R326 HydrophobicContact CD1-CB 4.35Å; I281-R326 HydrophobicContact CG2-CB 4.17Å; I281-R326 HydrophobicContact CG2-CG 4.42Å; I281-T329 VanDerWaalsContact CD1-CB 3.5Å; I281-T329 HydrophobicContact CD1-CG2 3.94Å; I281-T329 WeakPolarHBondContact CD1-OG1 3.44Å
282	G	98.9	Very high	98.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.5	-50.8	-177.8	0	0	0	0	0	111.6	E105 K109 A278 Q279 S284 Q285 G286	E105-G282 VanDerWaalsContact O-CA 3.23Å; E105-G282 WeakPolarHBondContact O-CA 3.32Å; K109-G282 WeakPolarHBondContact CA-O 3.49Å; K109-G282 WeakPolarHBondContact CG-O 3.31Å; K109-G282 PolarHBondContact N-O 2.92Å; A278-G282 PolarHBondContact O-N 2.9Å; Q279-G282 PolarHBondContact O-N 3.09Å; G282-S284 VanDerWaalsContact C-N 3.3Å; G282-S284 PolarHBondContact O-N 3.3Å; G282-Q285 PolarHBondContact O-N 3.38Å; G282-Q285 VanDerWaalsContact O-N 3.17Å; G282-G286 PolarHBondContact O-N 2.85Å
283	L	98.8	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.9	-42.1	176	172.9	146.5	0	0	0	112.6	A108 A112 Q279 I281 G286 C287 T361 Y382 D385 C386	A108-L283 HydrophobicContact CB-CB 4.44Å; A108-L283 VanDerWaalsContact O-CA 3.27Å; A108-L283 WeakPolarHBondContact O-CA 3.36Å; A108-L283 PolarHBondContact O-N 3.38Å; A112-L283 HydrophobicContact CB-CD1 3.71Å; Q279-L283 VanDerWaalsContact O-CB 3.31Å; Q279-L283 WeakPolarHBondContact O-CB 3.36Å; Q279-L283 PolarHBondContact O-N 3.16Å; I281-L283 PolarHBondContact O-N 3.43Å; L283-G286 PolarHBondContact O-N 3.43Å; L283-C287 WeakPolarHBondContact O-CB 3.12Å; L283-C287 PolarHBondContact O-N 3.48Å; L283-T361 HydrophobicContact CD2-CG2 3.57Å; L283-Y382 HydrophobicContact CB-CD1 4.47Å; L283-Y382 HydrophobicContact CD1-CD1 3.94Å; L283-Y382 HydrophobicContact CD2-CD1 4.49Å; L283-Y382 HydrophobicContact CG-CD1 3.59Å; L283-Y382 HydrophobicContact CG-CE1 4.42Å; L283-Y382 HydrophobicContact CG-CG 4.22Å; L283-D385 HydrophobicContact CD1-CB 3.54Å; L283-C386 HydrophobicContact CD1-CB 4.39Å; L283-C386 HydrophobicContact CD2-CB 3.54Å
284	S	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-44.8	177.5	-60.1	0	0	0	0	111.2	M280 I281 G282 C287 I288 A357	M280-S284 WeakPolarHBondContact O-CB 3.39Å; M280-S284 PolarHBondContact O-N 2.89Å; M280-S284 VanDerWaalsContact O-N 3.07Å; M280-S284 PolarHBondContact O-OG 3.42Å; I281-S284 WeakPolarHBondContact O-CB 3.48Å; I281-S284 PolarHBondContact O-N 3.44Å; G282-S284 VanDerWaalsContact C-N 3.3Å; G282-S284 PolarHBondContact O-N 3.3Å; S284-C287 PolarHBondContact O-N 2.93Å; S284-I288 WeakPolarHBondContact O-CG1 3.4Å; S284-I288 PolarHBondContact O-N 3.49Å; S284-A357 WeakPolarHBondContact OG-CA 3.25Å; S284-A357 VanDerWaalsContact OG-CB 3.26Å; S284-A357 WeakPolarHBondContact OG-CB 3.42Å
285	Q	98.9	Very high	98.6	Very high	39 Å²	39	16.6 Å²	16.6	18%	0.182	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-45.3	176.7	-172.8	64.5	60.7	0	0	111.3	K109 I281 G282 C287 I288 D289 L322 R326	K109-Q285 HydrophobicContact CD-CB 4.43Å; K109-Q285 HydrophobicContact CD-CG 4.19Å; K109-Q285 HydrophobicContact CG-CB 4.11Å; K109-Q285 HydrophobicContact CG-CG 4.38Å; I281-Q285 WeakPolarHBondContact O-CB 3.33Å; I281-Q285 PolarHBondContact O-N 2.94Å; G282-Q285 PolarHBondContact O-N 3.38Å; G282-Q285 VanDerWaalsContact O-N 3.17Å; Q285-C287 VanDerWaalsContact C-N 3.27Å; Q285-C287 PolarHBondContact O-N 2.96Å; Q285-I288 PolarHBondContact O-N 3.37Å; Q285-D289 PolarHBondContact NE2-OD1 2.72Å; Q285-D289 WeakPolarHBondContact O-CB 3.21Å; Q285-D289 PolarHBondContact O-N 3.01Å; Q285-L322 HydrophobicContact CB-CD2 4.1Å; Q285-R326 VanDerWaalsContact OE1-NH2 3.17Å
286	G	98.7	Very high	98.6	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-39.5	176	0	0	0	0	0	112.8	K109 G282 L283 D289 R290	K109-G286 WeakPolarHBondContact O-CA 3.42Å; G282-G286 PolarHBondContact O-N 2.85Å; L283-G286 PolarHBondContact O-N 3.43Å; G286-D289 PolarHBondContact O-N 3.33Å; G286-R290 PolarHBondContact O-N 3.34Å
287	C	98.7	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-43.7	176.1	-161.7	0	0	0	0	112.1	L283 S284 Q285 R290 T291 T361 C364 Y382	L283-C287 WeakPolarHBondContact O-CB 3.12Å; L283-C287 PolarHBondContact O-N 3.48Å; S284-C287 PolarHBondContact O-N 2.93Å; Q285-C287 VanDerWaalsContact C-N 3.27Å; Q285-C287 PolarHBondContact O-N 2.96Å; C287-R290 PolarHBondContact O-N 3.14Å; C287-T291 WeakPolarHBondContact O-CB 3.32Å; C287-T291 PolarHBondContact O-N 3.31Å; C287-T291 PolarHBondContact O-OG1 3.14Å; C287-T361 HydrophobicContact CB-CG2 4.03Å; C287-C364 WeakPolarHBondContact SG-CB 3.34Å; C287-Y382 HydrophobicContact CB-CD2 3.52Å; C287-Y382 HydrophobicContact CB-CE2 4.08Å; C287-Y382 HydrophobicContact CB-CG 3.9Å
288	I	98.8	Very high	98.5	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-42.7	175	-70	173.1	0	0	0	111.1	S284 Q285 R290 T291 I292 V318 L322 T360	S284-I288 WeakPolarHBondContact O-CG1 3.4Å; S284-I288 PolarHBondContact O-N 3.49Å; Q285-I288 PolarHBondContact O-N 3.37Å; I288-R290 PolarHBondContact O-N 3.11Å; I288-T291 PolarHBondContact O-N 3.32Å; I288-I292 HydrophobicContact CG2-CD1 3.42Å; I288-I292 VanDerWaalsContact CG2-CD1 3.42Å; I288-I292 HydrophobicContact CG2-CG1 3.9Å; I288-I292 PolarHBondContact O-N 3.32Å; I288-V318 HydrophobicContact CD1-CG1 3.77Å; I288-V318 HydrophobicContact CG1-CG1 4.34Å; I288-L322 HydrophobicContact CD1-CD2 3.58Å; I288-T360 HydrophobicContact CD1-CG2 3.78Å; I288-T360 HydrophobicContact CG1-CG2 3.71Å
289	D	98.2	Very high	98.4	Very high	83 Å²	83	41 Å²	41	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-66	-26.1	-177.6	-70.4	-12.3	0	0	0	112.3	Q285 G286 P293	Q285-D289 PolarHBondContact NE2-OD1 2.72Å; Q285-D289 WeakPolarHBondContact O-CB 3.21Å; Q285-D289 PolarHBondContact O-N 3.01Å; G286-D289 PolarHBondContact O-N 3.33Å; D289-P293 WeakPolarHBondContact O-CD 3.14Å; D289-P293 WeakPolarHBondContact O-CG 3.41Å
290	R	96.4	Very high	98.4	Very high	84 Å²	84	45.4 Å²	45.4	32%	0.317	21%	0.209	S	C	.	.	H	α-helix	trans	-81.6	-32.9	168.7	-66.7	-170.4	-174	140.4	7.1	112.6	G286 C287 I288 V379 Y382	G286-R290 PolarHBondContact O-N 3.34Å; C287-R290 PolarHBondContact O-N 3.14Å; I288-R290 PolarHBondContact O-N 3.11Å; R290-V379 HydrophobicContact CB-CG1 4.02Å; R290-Y382 PolarHBondContact NE-OH 3.24Å; R290-Y382 PolarHBondContact NH1-OH 3Å; R290-Y382 PolarHBondContact NH2-OH 2.87Å
291	T	98.6	Very high	98.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-78	-48.4	-173.8	-58.6	0	0	0	0	113.1	C287 I288 Y294 L295 C364 W367 I368	C287-T291 WeakPolarHBondContact O-CB 3.32Å; C287-T291 PolarHBondContact O-N 3.31Å; C287-T291 PolarHBondContact O-OG1 3.14Å; I288-T291 PolarHBondContact O-N 3.32Å; T291-Y294 WeakPolarHBondContact O-CB 3.47Å; T291-Y294 PolarHBondContact O-N 3.21Å; T291-Y294 VanDerWaalsContact O-N 3.15Å; T291-L295 HydrophobicContact CG2-CD1 3.91Å; T291-L295 HydrophobicContact CG2-CG 4.11Å; T291-L295 WeakPolarHBondContact O-CG 3.35Å; T291-L295 PolarHBondContact O-N 3.31Å; T291-C364 HydrophobicContact CG2-CB 4.25Å; T291-C364 VanDerWaalsContact OG1-CB 3.29Å; T291-C364 WeakPolarHBondContact OG1-CB 3.34Å; T291-C364 PolarHBondContact OG1-SG 2.7Å; T291-W367 HydrophobicContact CG2-CB 4.33Å; T291-W367 HydrophobicContact CG2-CE3 3.82Å; T291-I368 HydrophobicContact CG2-CD1 4.05Å; T291-I368 HydrophobicContact CG2-CG1 3.96Å; T291-I368 WeakPolarHBondContact OG1-CD1 3.49Å
292	I	98.3	Very high	98.2	Very high	47 Å²	47	57.5 Å²	57.5	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-45.9	-175.6	-71.9	178.4	0	0	0	112.8	I288 Y294 L295 K296 F306 L315	I288-I292 HydrophobicContact CG2-CD1 3.42Å; I288-I292 VanDerWaalsContact CG2-CD1 3.42Å; I288-I292 HydrophobicContact CG2-CG1 3.9Å; I288-I292 PolarHBondContact O-N 3.32Å; I292-Y294 VanDerWaalsContact C-N 3.32Å; I292-Y294 PolarHBondContact O-N 2.91Å; I292-L295 PolarHBondContact O-N 3.21Å; I292-K296 HydrophobicContact CG2-CD 3.92Å; I292-K296 HydrophobicContact CG2-CG 4.46Å; I292-K296 WeakPolarHBondContact O-CG 3.44Å; I292-K296 PolarHBondContact O-N 2.67Å; I292-K296 VanDerWaalsContact O-N 3.07Å; I292-F306 HydrophobicContact CG2-CE2 4.33Å; I292-L315 HydrophobicContact CD1-CD2 4.42Å; I292-L315 HydrophobicContact CG1-CD2 4.01Å
293	P	98.1	Very high	98.2	Very high	62 Å²	62	64.1 Å²	64.1	40%	0.403	31%	0.31	S	S	.	.	H	α-helix	trans	-56	-45.9	175.2	-27.4	37	0	0	0	112.4	D289 L295 K296 E297	D289-P293 WeakPolarHBondContact O-CD 3.14Å; D289-P293 WeakPolarHBondContact O-CG 3.41Å; P293-L295 VanDerWaalsContact C-N 3.34Å; P293-L295 PolarHBondContact O-N 3.07Å; P293-K296 WeakPolarHBondContact O-CB 3.23Å; P293-K296 PolarHBondContact O-N 3.07Å; P293-E297 WeakPolarHBondContact O-CG 3.24Å; P293-E297 PolarHBondContact O-N 2.96Å
294	Y	98.1	Very high	98.2	Very high	26 Å²	26	68.4 Å²	68.4	10%	0.102	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-44.8	176.8	178.5	-92.4	0	0	0	112.1	T291 I292 K296 E297 R298 I368 N371 Y377	T291-Y294 WeakPolarHBondContact O-CB 3.47Å; T291-Y294 PolarHBondContact O-N 3.21Å; T291-Y294 VanDerWaalsContact O-N 3.15Å; I292-Y294 VanDerWaalsContact C-N 3.32Å; I292-Y294 PolarHBondContact O-N 2.91Å; Y294-K296 PolarHBondContact O-N 3.01Å; Y294-E297 PolarHBondContact O-N 3.27Å; Y294-E297 VanDerWaalsContact O-N 3.13Å; Y294-R298 HydrophobicContact CD1-CB 4.23Å; Y294-R298 HydrophobicContact CE1-CB 3.87Å; Y294-R298 HydrophobicContact CE1-CG 3.98Å; Y294-R298 HydrophobicContact CE2-CB 4.33Å; Y294-R298 VanDerWaalsContact O-CB 3.28Å; Y294-R298 WeakPolarHBondContact O-CB 3.43Å; Y294-R298 PolarHBondContact O-N 3.37Å; Y294-I368 HydrophobicContact CD1-CB 4.19Å; Y294-I368 HydrophobicContact CD1-CG1 3.84Å; Y294-I368 HydrophobicContact CD1-CG2 3.97Å; Y294-I368 HydrophobicContact CD2-CG2 4.48Å; Y294-I368 HydrophobicContact CE1-CB 4.12Å; Y294-I368 HydrophobicContact CE1-CG1 4.29Å; Y294-I368 HydrophobicContact CE1-CG2 3.75Å; Y294-I368 HydrophobicContact CE2-CG2 4.29Å; Y294-I368 HydrophobicContact CG-CG1 4.33Å; Y294-I368 HydrophobicContact CG-CG2 4.32Å; Y294-I368 PolarHBondContact OH-O 3.41Å; Y294-N371 PolarHBondContact OH-ND2 3.29Å; Y294-N371 VanDerWaalsContact OH-ND2 3.12Å; Y294-Y377 HydrophobicContact CD2-CD1 4.41Å; Y294-Y377 AromaticContact CD2-CE1 3.8Å; Y294-Y377 HydrophobicContact CD2-CE1 3.8Å; Y294-Y377 AromaticContact CE2-CE1 3.89Å; Y294-Y377 HydrophobicContact CE2-CE1 3.89Å
295	L	98.4	Very high	98.2	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-28.6	178.3	-59.2	178.4	0	0	0	112.7	T291 I292 P293 I305 F306 M311 L315 W367	T291-L295 HydrophobicContact CG2-CD1 3.91Å; T291-L295 HydrophobicContact CG2-CG 4.11Å; T291-L295 WeakPolarHBondContact O-CG 3.35Å; T291-L295 PolarHBondContact O-N 3.31Å; I292-L295 PolarHBondContact O-N 3.21Å; P293-L295 VanDerWaalsContact C-N 3.34Å; P293-L295 PolarHBondContact O-N 3.07Å; L295-I305 HydrophobicContact CD2-CB 4.14Å; L295-I305 HydrophobicContact CD2-CG2 3.62Å; L295-I305 PolarHBondContact O-N 3.31Å; L295-F306 HydrophobicContact CB-CB 4.14Å; L295-F306 HydrophobicContact CB-CD2 4.46Å; L295-F306 VanDerWaalsContact O-CB 3.31Å; L295-F306 WeakPolarHBondContact O-CB 3.5Å; L295-F306 PolarHBondContact O-N 3.38Å; L295-M311 HydrophobicContact CD1-CG 4.25Å; L295-M311 HydrophobicContact CD1-SD 3.91Å; L295-L315 HydrophobicContact CD1-CD1 4.07Å; L295-L315 HydrophobicContact CD1-CD2 4.1Å; L295-L315 HydrophobicContact CD1-CG 4.47Å; L295-W367 HydrophobicContact CD1-CB 4.32Å; L295-W367 HydrophobicContact CD1-CE3 4.27Å; L295-W367 HydrophobicContact CD2-CB 3.99Å; L295-W367 WeakPolarHBondContact CD2-O 3.29Å
296	K	98.5	Very high	98.1	Very high	107 Å²	107	70.3 Å²	70.3	47%	0.465	34%	0.335	S	S	.	.	H	α-helix	trans	-80.5	-18.6	176.4	-70.6	174.5	67	-179.7	0	113.1	I292 P293 Y294 R304 F306	I292-K296 HydrophobicContact CG2-CD 3.92Å; I292-K296 HydrophobicContact CG2-CG 4.46Å; I292-K296 WeakPolarHBondContact O-CG 3.44Å; I292-K296 PolarHBondContact O-N 2.67Å; I292-K296 VanDerWaalsContact O-N 3.07Å; P293-K296 WeakPolarHBondContact O-CB 3.23Å; P293-K296 PolarHBondContact O-N 3.07Å; Y294-K296 PolarHBondContact O-N 3.01Å; K296-R304 WeakPolarHBondContact O-CD 3.31Å; K296-F306 HydrophobicContact CG-CB 4.05Å; K296-F306 HydrophobicContact CG-CD1 4.45Å; K296-F306 HydrophobicContact CG-CD2 3.83Å; K296-F306 HydrophobicContact CG-CE2 4.41Å; K296-F306 HydrophobicContact CG-CG 3.86Å
297	E	98	Very high	98.1	Very high	152 Å²	152	72.8 Å²	72.8	71%	0.71	35%	0.347	S	S	*	.	H	α-helix	trans	-98.5	-45.9	178.3	-70.5	175.6	178.7	0	0	112	P293 Y294	P293-E297 WeakPolarHBondContact O-CG 3.24Å; P293-E297 PolarHBondContact O-N 2.96Å; Y294-E297 PolarHBondContact O-N 3.27Å; Y294-E297 VanDerWaalsContact O-N 3.13Å
298	R	98	Very high	98.1	Very high	120 Å²	120	75.8 Å²	75.8	45%	0.453	36%	0.36	S	S	.	.			trans	-69.7	132.4	-176	-174.3	66.1	-179.7	172.4	-1.1	111.2	Y294 R304 I305	Y294-R298 HydrophobicContact CD1-CB 4.23Å; Y294-R298 HydrophobicContact CE1-CB 3.87Å; Y294-R298 HydrophobicContact CE1-CG 3.98Å; Y294-R298 HydrophobicContact CE2-CB 4.33Å; Y294-R298 VanDerWaalsContact O-CB 3.28Å; Y294-R298 WeakPolarHBondContact O-CB 3.43Å; Y294-R298 PolarHBondContact O-N 3.37Å; R298-R304 CarbonylContact O-C 3.58Å; R298-R304 WeakPolarHBondContact O-CA 3.23Å; R298-I305 HydrophobicContact CB-CD1 3.93Å; R298-I305 HydrophobicContact CB-CG1 4.41Å; R298-I305 HydrophobicContact CG-CD1 3.45Å; R298-I305 VanDerWaalsContact CG-CD1 3.45Å; R298-I305 HydrophobicContact CG-CG1 4.2Å; R298-I305 PolarHBondContact O-N 2.94Å
299	K	98.3	Very high	98.1	Very high	133 Å²	133	82.4 Å²	82.4	58%	0.578	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.8	177.7	-62.2	-178.7	-176.6	176.5	0	112.6	R303 R304	K299-R303 CarbonylContact C-O 3.51Å; K299-R303 WeakPolarHBondContact CA-O 3.31Å; K299-R303 WeakPolarHBondContact CB-O 3.35Å; K299-R304 HydrophobicContact CG-CG 4.34Å
300	Q	97.5	Very high	98.1	Very high	94 Å²	94	80.6 Å²	80.6	44%	0.439	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.7	167.2	-83.6	-60.7	-86	0	0	110	G302 R303 F308	Q300-G302 PolarHBondContact O-N 3.48Å; Q300-G302 VanDerWaalsContact O-N 3.15Å; Q300-R303 PolarHBondContact N-O 3.46Å; Q300-R303 PolarHBondContact O-N 2.87Å; Q300-R303 VanDerWaalsContact O-N 3.15Å; Q300-F308 VanDerWaalsContact O-CZ 3.31Å; Q300-F308 WeakPolarHBondContact O-CZ 2.96Å
301	F	97.5	Very high	98.2	Very high	173 Å²	173	77.7 Å²	77.7	76%	0.759	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	43.5	-173.7	-45.8	-85.2	0	0	0	112.9	R303 F308	F301-R303 VanDerWaalsContact C-N 3.3Å; F301-R303 PolarHBondContact O-N 3.22Å; F301-F308 HydrophobicContact CB-CE1 4.48Å; F301-F308 HydrophobicContact CB-CZ 4.01Å; F301-F308 HydrophobicContact CD2-CE1 4.38Å; F301-F308 AromaticContact CD2-CZ 3.9Å; F301-F308 HydrophobicContact CD2-CZ 3.9Å; F301-F308 HydrophobicContact CG-CZ 4.42Å
302	G	97.4	Very high	98.2	Very high	81 Å²	81	84.5 Å²	84.5	84%	0.835	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	0	175.5	0	0	0	0	0	116.8	Q300	Q300-G302 PolarHBondContact O-N 3.48Å; Q300-G302 VanDerWaalsContact O-N 3.15Å
303	R	98	Very high	98.2	Very high	139 Å²	139	87.8 Å²	87.8	53%	0.525	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	167.1	-179.6	66.6	-173.7	72.1	-168.5	0.9	111.9	K299 Q300 F301 F308	K299-R303 CarbonylContact C-O 3.51Å; K299-R303 WeakPolarHBondContact CA-O 3.31Å; K299-R303 WeakPolarHBondContact CB-O 3.35Å; Q300-R303 PolarHBondContact N-O 3.46Å; Q300-R303 PolarHBondContact O-N 2.87Å; Q300-R303 VanDerWaalsContact O-N 3.15Å; F301-R303 VanDerWaalsContact C-N 3.3Å; F301-R303 PolarHBondContact O-N 3.22Å; R303-F308 HydrophobicContact CG-CD2 4.24Å; R303-F308 HydrophobicContact CG-CE1 4.03Å; R303-F308 HydrophobicContact CG-CE2 3.54Å; R303-F308 HydrophobicContact CG-CZ 3.42Å; R303-F308 VanDerWaalsContact CG-CZ 3.42Å
304	R	98.5	Very high	98.3	Very high	89 Å²	89	88 Å²	88	34%	0.336	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	146.3	176.6	-56.5	176	-68.4	179.7	7.7	109.5	K296 R298 K299 F306 D307	K296-R304 WeakPolarHBondContact O-CD 3.31Å; R298-R304 CarbonylContact O-C 3.58Å; R298-R304 WeakPolarHBondContact O-CA 3.23Å; K299-R304 HydrophobicContact CG-CG 4.34Å; R304-F306 HydrophobicContact CB-CB 4.48Å; R304-F306 PolarHBondContact O-N 2.99Å; R304-D307 WeakPolarHBondContact CB-OD2 3.31Å; R304-D307 IonicContact CZ-OD1 3.41Å; R304-D307 IonicContact CZ-OD2 3.58Å; R304-D307 IonicContact NE-OD1 3.34Å; R304-D307 PolarHBondContact NE-OD1 3.03Å; R304-D307 IonicContact NE-OD2 2.8Å; R304-D307 PolarHBondContact NE-OD2 3.12Å; R304-D307 IonicContact NH2-OD1 2.71Å; R304-D307 PolarHBondContact NH2-OD1 3.43Å; R304-D307 IonicContact NH2-OD2 3.48Å; R304-D307 PolarHBondContact NH2-OD2 3.13Å; R304-D307 PolarHBondContact O-N 2.95Å
305	I	98.5	Very high	98.3	Very high	27 Å²	27	87.2 Å²	87.2	14%	0.138	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-58.3	-36.2	175	-64	178.6	0	0	0	110.2	L295 R298 D307 F308 M311	L295-I305 HydrophobicContact CD2-CB 4.14Å; L295-I305 HydrophobicContact CD2-CG2 3.62Å; L295-I305 PolarHBondContact O-N 3.31Å; R298-I305 HydrophobicContact CB-CD1 3.93Å; R298-I305 HydrophobicContact CB-CG1 4.41Å; R298-I305 HydrophobicContact CG-CD1 3.45Å; R298-I305 VanDerWaalsContact CG-CD1 3.45Å; R298-I305 HydrophobicContact CG-CG1 4.2Å; R298-I305 PolarHBondContact O-N 2.94Å; I305-D307 PolarHBondContact O-N 2.93Å; I305-D307 VanDerWaalsContact O-N 3.17Å; I305-F308 WeakPolarHBondContact O-CD2 3.34Å; I305-F308 PolarHBondContact O-N 3.03Å; I305-M311 HydrophobicContact CG2-CE 3.89Å; I305-M311 HydrophobicContact CG2-CG 4.26Å; I305-M311 WeakPolarHBondContact O-CB 3.03Å
306	F	98.6	Very high	98.3	Very high	52 Å²	52	89.9 Å²	89.9	23%	0.228	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-58	-26.4	174.5	-170.6	-87.4	0	0	0	114.2	I292 L295 K296 R304 R312 L315	I292-F306 HydrophobicContact CG2-CE2 4.33Å; L295-F306 HydrophobicContact CB-CB 4.14Å; L295-F306 HydrophobicContact CB-CD2 4.46Å; L295-F306 VanDerWaalsContact O-CB 3.31Å; L295-F306 WeakPolarHBondContact O-CB 3.5Å; L295-F306 PolarHBondContact O-N 3.38Å; K296-F306 HydrophobicContact CG-CB 4.05Å; K296-F306 HydrophobicContact CG-CD1 4.45Å; K296-F306 HydrophobicContact CG-CD2 3.83Å; K296-F306 HydrophobicContact CG-CE2 4.41Å; K296-F306 HydrophobicContact CG-CG 3.86Å; R304-F306 HydrophobicContact CB-CB 4.48Å; R304-F306 PolarHBondContact O-N 2.99Å; F306-R312 WeakPolarHBondContact O-CD 3.42Å; F306-R312 WeakPolarHBondContact O-CG 3.18Å; F306-L315 HydrophobicContact CD2-CD1 3.77Å; F306-L315 HydrophobicContact CE2-CD1 3.73Å
307	D	98.6	Very high	98.3	Very high	55 Å²	55	89.2 Å²	89.2	29%	0.294	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-83.6	-9.9	-173.6	-65.2	-35.3	0	0	0	113.6	R304 I305 Q309	R304-D307 WeakPolarHBondContact CB-OD2 3.31Å; R304-D307 IonicContact CZ-OD1 3.41Å; R304-D307 IonicContact CZ-OD2 3.58Å; R304-D307 IonicContact NE-OD1 3.34Å; R304-D307 PolarHBondContact NE-OD1 3.03Å; R304-D307 IonicContact NE-OD2 2.8Å; R304-D307 PolarHBondContact NE-OD2 3.12Å; R304-D307 IonicContact NH2-OD1 2.71Å; R304-D307 PolarHBondContact NH2-OD1 3.43Å; R304-D307 IonicContact NH2-OD2 3.48Å; R304-D307 PolarHBondContact NH2-OD2 3.13Å; R304-D307 PolarHBondContact O-N 2.95Å; I305-D307 PolarHBondContact O-N 2.93Å; I305-D307 VanDerWaalsContact O-N 3.17Å; D307-Q309 PolarHBondContact O-N 3.26Å
308	F	98.7	Very high	98.3	Very high	64 Å²	64	82.2 Å²	82.2	28%	0.281	40%	0.404	S	S	.	.	S	Bend	trans	-72.5	127.5	174.8	-67.1	-85.4	0	0	0	110.3	Q300 F301 R303 I305 G310 M311 R312	Q300-F308 VanDerWaalsContact O-CZ 3.31Å; Q300-F308 WeakPolarHBondContact O-CZ 2.96Å; F301-F308 HydrophobicContact CB-CE1 4.48Å; F301-F308 HydrophobicContact CB-CZ 4.01Å; F301-F308 HydrophobicContact CD2-CE1 4.38Å; F301-F308 AromaticContact CD2-CZ 3.9Å; F301-F308 HydrophobicContact CD2-CZ 3.9Å; F301-F308 HydrophobicContact CG-CZ 4.42Å; R303-F308 HydrophobicContact CG-CD2 4.24Å; R303-F308 HydrophobicContact CG-CE1 4.03Å; R303-F308 HydrophobicContact CG-CE2 3.54Å; R303-F308 HydrophobicContact CG-CZ 3.42Å; R303-F308 VanDerWaalsContact CG-CZ 3.42Å; I305-F308 WeakPolarHBondContact O-CD2 3.34Å; I305-F308 PolarHBondContact O-N 3.03Å; F308-G310 VanDerWaalsContact C-N 3.28Å; F308-G310 PolarHBondContact O-N 3.28Å; F308-M311 HydrophobicContact CB-CB 4.23Å; F308-M311 WeakPolarHBondContact O-CA 3.41Å; F308-M311 WeakPolarHBondContact O-CB 3.3Å; F308-M311 PolarHBondContact O-N 3.17Å; F308-R312 PolarHBondContact O-N 3.31Å
309	Q	98.5	Very high	98.4	Very high	141 Å²	141	79 Å²	79	66%	0.659	40%	0.399	S	S	*	.	H	α-helix	trans	-55.3	-44.1	-179.3	-177.3	-175.9	65.1	0	0	112.2	D307 M311 R312 H313	D307-Q309 PolarHBondContact O-N 3.26Å; Q309-M311 PolarHBondContact O-N 2.97Å; Q309-R312 PolarHBondContact O-N 3.42Å; Q309-R312 VanDerWaalsContact O-N 3.08Å; Q309-H313 VanDerWaalsContact CG-CE1 3.43Å; Q309-H313 WeakPolarHBondContact CG-CE1 3.21Å; Q309-H313 VanDerWaalsContact CG-NE2 3.34Å; Q309-H313 WeakPolarHBondContact CG-NE2 3.33Å; Q309-H313 PolarHBondContact O-N 2.92Å
310	G	98.2	Very high	98.4	Very high	45 Å²	45	77.2 Å²	77.2	46%	0.464	40%	0.399	S	S	.	.	H	α-helix	trans	-58.8	-31.1	176.5	0	0	0	0	0	113.6	F308 Q314	F308-G310 VanDerWaalsContact C-N 3.28Å; F308-G310 PolarHBondContact O-N 3.28Å; G310-Q314 VanDerWaalsContact O-CG 3.29Å; G310-Q314 WeakPolarHBondContact O-CG 3.38Å; G310-Q314 PolarHBondContact O-NE2 3Å; G310-Q314 VanDerWaalsContact O-NE2 3.08Å
311	M	98.3	Very high	98.5	Very high	24 Å²	24	75.4 Å²	75.4	12%	0.118	39%	0.388	C	S	.	.	H	α-helix	trans	-73.8	-45.9	172.7	-176.6	56.5	60.2	0	0	111.1	L295 I305 F308 Q309 H313 Q314 L315 W367	L295-M311 HydrophobicContact CD1-CG 4.25Å; L295-M311 HydrophobicContact CD1-SD 3.91Å; I305-M311 HydrophobicContact CG2-CE 3.89Å; I305-M311 HydrophobicContact CG2-CG 4.26Å; I305-M311 WeakPolarHBondContact O-CB 3.03Å; F308-M311 HydrophobicContact CB-CB 4.23Å; F308-M311 WeakPolarHBondContact O-CA 3.41Å; F308-M311 WeakPolarHBondContact O-CB 3.3Å; F308-M311 PolarHBondContact O-N 3.17Å; Q309-M311 PolarHBondContact O-N 2.97Å; M311-H313 VanDerWaalsContact C-N 3.34Å; M311-H313 PolarHBondContact O-N 3.22Å; M311-Q314 PolarHBondContact O-N 3.28Å; M311-L315 HydrophobicContact CG-CD1 4.06Å; M311-L315 WeakPolarHBondContact O-CG 3.25Å; M311-L315 PolarHBondContact O-N 3.47Å; M311-L315 HydrophobicContact SD-CG 4.47Å; M311-W367 HydrophobicContact CE-CB 4.05Å; M311-W367 HydrophobicContact CE-CG 3.79Å; M311-W367 HydrophobicContact SD-CB 4.15Å; M311-W367 HydrophobicContact SD-CD2 3.82Å; M311-W367 HydrophobicContact SD-CG 3.63Å
312	R	98.6	Very high	98.5	Very high	143 Å²	143	67.2 Å²	67.2	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-38.3	-179.4	-65.4	179.2	64.9	-175.6	-0.9	113	F306 F308 Q309 L315 A316	F306-R312 WeakPolarHBondContact O-CD 3.42Å; F306-R312 WeakPolarHBondContact O-CG 3.18Å; F308-R312 PolarHBondContact O-N 3.31Å; Q309-R312 PolarHBondContact O-N 3.42Å; Q309-R312 VanDerWaalsContact O-N 3.08Å; R312-L315 PolarHBondContact O-N 3.01Å; R312-A316 WeakPolarHBondContact O-CB 3.23Å; R312-A316 PolarHBondContact O-N 2.62Å
313	H	98.8	Very high	98.6	Very high	116 Å²	116	66.9 Å²	66.9	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-43.9	175.9	-69.6	179.1	0	0	0	111.6	Q309 M311 A316 E317	Q309-H313 VanDerWaalsContact CG-CE1 3.43Å; Q309-H313 WeakPolarHBondContact CG-CE1 3.21Å; Q309-H313 VanDerWaalsContact CG-NE2 3.34Å; Q309-H313 WeakPolarHBondContact CG-NE2 3.33Å; Q309-H313 PolarHBondContact O-N 2.92Å; M311-H313 VanDerWaalsContact C-N 3.34Å; M311-H313 PolarHBondContact O-N 3.22Å; H313-A316 PolarHBondContact O-N 2.76Å; H313-E317 PolarHBondContact O-N 2.9Å
314	Q	98.7	Very high	98.6	Very high	66 Å²	66	62 Å²	62	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-40.6	177.7	-69.4	-179.6	68.6	0	0	112.2	G310 M311 E317 V318 W367	G310-Q314 VanDerWaalsContact O-CG 3.29Å; G310-Q314 WeakPolarHBondContact O-CG 3.38Å; G310-Q314 PolarHBondContact O-NE2 3Å; G310-Q314 VanDerWaalsContact O-NE2 3.08Å; M311-Q314 PolarHBondContact O-N 3.28Å; Q314-E317 PolarHBondContact O-N 2.8Å; Q314-V318 WeakPolarHBondContact O-CG2 3.27Å; Q314-V318 PolarHBondContact O-N 3.37Å; Q314-W367 HydrophobicContact CB-CZ2 3.65Å; Q314-W367 VanDerWaalsContact OE1-NE1 3.08Å
315	L	98.5	Very high	98.7	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-45.1	172.9	-75.5	167.7	0	0	0	111.5	I292 L295 F306 M311 R312 E317 V318 C319 W367	I292-L315 HydrophobicContact CD1-CD2 4.42Å; I292-L315 HydrophobicContact CG1-CD2 4.01Å; L295-L315 HydrophobicContact CD1-CD1 4.07Å; L295-L315 HydrophobicContact CD1-CD2 4.1Å; L295-L315 HydrophobicContact CD1-CG 4.47Å; F306-L315 HydrophobicContact CD2-CD1 3.77Å; F306-L315 HydrophobicContact CE2-CD1 3.73Å; M311-L315 HydrophobicContact CG-CD1 4.06Å; M311-L315 WeakPolarHBondContact O-CG 3.25Å; M311-L315 PolarHBondContact O-N 3.47Å; M311-L315 HydrophobicContact SD-CG 4.47Å; R312-L315 PolarHBondContact O-N 3.01Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.46Å; L315-V318 PolarHBondContact O-N 2.86Å; L315-C319 WeakPolarHBondContact O-CB 3.23Å; L315-C319 PolarHBondContact O-N 3.28Å; L315-C319 PolarHBondContact O-SG 2.95Å; L315-W367 HydrophobicContact CD2-CE3 3.89Å; L315-W367 HydrophobicContact CD2-CH2 3.83Å; L315-W367 HydrophobicContact CD2-CZ3 3.36Å; L315-W367 HydrophobicContact CG-CH2 4.29Å; L315-W367 HydrophobicContact CG-CZ3 4.21Å
316	A	98.8	Very high	98.7	Very high	55 Å²	55	57.6 Å²	57.6	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-43.7	178.4	0	0	0	0	0	111.8	R312 H313 T320	R312-A316 WeakPolarHBondContact O-CB 3.23Å; R312-A316 PolarHBondContact O-N 2.62Å; H313-A316 PolarHBondContact O-N 2.76Å; A316-T320 VanDerWaalsContact O-CB 3.31Å; A316-T320 WeakPolarHBondContact O-CB 3.48Å; A316-T320 PolarHBondContact O-N 3.46Å; A316-T320 PolarHBondContact O-OG1 2.86Å
317	E	98.8	Very high	98.7	Very high	94 Å²	94	58.4 Å²	58.4	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-49.1	178	-175.1	-176.4	-159.6	0	0	111.9	H313 Q314 L315 T320 R321 K363	H313-E317 PolarHBondContact O-N 2.9Å; Q314-E317 PolarHBondContact O-N 2.8Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.46Å; E317-T320 PolarHBondContact O-N 3.3Å; E317-R321 WeakPolarHBondContact O-CG 3.45Å; E317-R321 PolarHBondContact O-N 2.91Å; E317-K363 IonicContact OE2-NZ 3.16Å; E317-K363 PolarHBondContact OE2-NZ 3.48Å
318	V	98.7	Very high	98.7	Very high	5 Å²	5	59 Å²	59	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-47.7	179.5	164.4	0	0	0	0	111.4	I288 Q314 L315 T320 R321 L322 T360 K363 W367	I288-V318 HydrophobicContact CD1-CG1 3.77Å; I288-V318 HydrophobicContact CG1-CG1 4.34Å; Q314-V318 WeakPolarHBondContact O-CG2 3.27Å; Q314-V318 PolarHBondContact O-N 3.37Å; L315-V318 PolarHBondContact O-N 2.86Å; V318-T320 VanDerWaalsContact C-N 3.33Å; V318-T320 PolarHBondContact O-N 3.38Å; V318-R321 PolarHBondContact O-N 2.93Å; V318-L322 PolarHBondContact O-N 3.47Å; V318-T360 HydrophobicContact CG1-CG2 3.66Å; V318-K363 HydrophobicContact CG2-CD 3.64Å; V318-W367 HydrophobicContact CB-CH2 3.97Å; V318-W367 HydrophobicContact CG1-CH2 4.26Å; V318-W367 HydrophobicContact CG2-CH2 3.69Å; V318-W367 HydrophobicContact CG2-CZ2 4.12Å
319	C	98.7	Very high	98.7	Very high	52 Å²	52	56 Å²	56	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-37.1	178.4	-68.2	0	0	0	0	112.2	L315 L322 E323	L315-C319 WeakPolarHBondContact O-CB 3.23Å; L315-C319 PolarHBondContact O-N 3.28Å; L315-C319 PolarHBondContact O-SG 2.95Å; C319-L322 PolarHBondContact O-N 2.98Å; C319-E323 WeakPolarHBondContact O-CB 3.49Å; C319-E323 PolarHBondContact O-N 2.97Å
320	T	98.9	Very high	98.7	Very high	95 Å²	95	49.6 Å²	49.6	58%	0.583	27%	0.266	S	S	*	.	H	α-helix	trans	-63.6	-43.5	176.6	-59.4	0	0	0	0	111.2	A316 E317 V318 E323 A324	A316-T320 VanDerWaalsContact O-CB 3.31Å; A316-T320 WeakPolarHBondContact O-CB 3.48Å; A316-T320 PolarHBondContact O-N 3.46Å; A316-T320 PolarHBondContact O-OG1 2.86Å; E317-T320 PolarHBondContact O-N 3.3Å; V318-T320 VanDerWaalsContact C-N 3.33Å; V318-T320 PolarHBondContact O-N 3.38Å; T320-E323 PolarHBondContact O-N 2.88Å; T320-A324 PolarHBondContact O-N 2.95Å
321	R	98.9	Very high	98.7	Very high	57 Å²	57	51 Å²	51	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-38.2	179.4	-69.2	176.6	68	177.6	-6.8	112.3	E317 V318 E323 A324 A325 Y352 I356 E359	E317-R321 WeakPolarHBondContact O-CG 3.45Å; E317-R321 PolarHBondContact O-N 2.91Å; V318-R321 PolarHBondContact O-N 2.93Å; R321-E323 VanDerWaalsContact C-N 3.33Å; R321-A324 PolarHBondContact O-N 3.05Å; R321-A325 PolarHBondContact O-N 2.75Å; R321-Y352 WeakPolarHBondContact O-CE1 3.44Å; R321-I356 HydrophobicContact CB-CG2 4.1Å; R321-E359 IonicContact CZ-OE1 2.94Å; R321-E359 IonicContact CZ-OE2 3.99Å; R321-E359 IonicContact NH1-OE1 3.17Å; R321-E359 IonicContact NH1-OE2 3.29Å; R321-E359 PolarHBondContact NH1-OE2 2.86Å; R321-E359 IonicContact NH2-OE1 3.76Å; R321-E359 PolarHBondContact NH2-OE1 2.82Å; R321-E359 IonicContact NH2-OE2 2.86Å; R321-E359 PolarHBondContact NH2-OE2 2.74Å
322	L	98.8	Very high	98.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-42.8	172.9	-179.9	58.1	0	0	0	111.4	I281 Q285 I288 V318 C319 A325 R326 I356	I281-L322 HydrophobicContact CB-CD1 4.27Å; I281-L322 HydrophobicContact CG1-CD1 4.4Å; I281-L322 HydrophobicContact CG2-CD1 3.89Å; Q285-L322 HydrophobicContact CB-CD2 4.1Å; I288-L322 HydrophobicContact CD1-CD2 3.58Å; V318-L322 PolarHBondContact O-N 3.47Å; C319-L322 PolarHBondContact O-N 2.98Å; L322-A325 PolarHBondContact O-N 2.88Å; L322-R326 PolarHBondContact O-N 3.48Å; L322-I356 HydrophobicContact CB-CD1 4.46Å; L322-I356 HydrophobicContact CD1-CD1 3.73Å
323	E	98.8	Very high	98.8	Very high	73 Å²	73	43 Å²	43	34%	0.341	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-43.1	176.6	-170.8	60.7	-168.6	0	0	111.7	C319 T320 R321 A325 R326 L327	C319-E323 WeakPolarHBondContact O-CB 3.49Å; C319-E323 PolarHBondContact O-N 2.97Å; T320-E323 PolarHBondContact O-N 2.88Å; R321-E323 VanDerWaalsContact C-N 3.33Å; E323-A325 VanDerWaalsContact C-N 3.31Å; E323-A325 PolarHBondContact O-N 3.36Å; E323-R326 WeakPolarHBondContact O-CB 3.37Å; E323-R326 PolarHBondContact O-N 2.84Å; E323-R326 IonicContact OE2-CZ 3.88Å; E323-R326 IonicContact OE2-NH1 3.62Å; E323-R326 PolarHBondContact OE2-NH1 2.56Å; E323-L327 HydrophobicContact CG-CD1 4.46Å; E323-L327 WeakPolarHBondContact O-CG 3.49Å; E323-L327 PolarHBondContact O-N 2.82Å
324	A	98.9	Very high	98.7	Very high	38 Å²	38	40.6 Å²	40.6	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-58.8	-41.2	173.5	0	0	0	0	0	112.4	T320 R321 L327 L328 Y352	T320-A324 PolarHBondContact O-N 2.95Å; R321-A324 PolarHBondContact O-N 3.05Å; A324-L327 PolarHBondContact O-N 2.64Å; A324-L328 WeakPolarHBondContact O-CG 3.14Å; A324-L328 PolarHBondContact O-N 3.05Å; A324-Y352 HydrophobicContact CB-CE1 4.07Å
325	A	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-41	176	0	0	0	0	0	112.4	I281 R321 L322 E323 L328 T329 Y352 I356	I281-A325 HydrophobicContact CG1-CB 4.17Å; R321-A325 PolarHBondContact O-N 2.75Å; L322-A325 PolarHBondContact O-N 2.88Å; E323-A325 VanDerWaalsContact C-N 3.31Å; E323-A325 PolarHBondContact O-N 3.36Å; A325-L328 PolarHBondContact O-N 3.36Å; A325-T329 WeakPolarHBondContact O-CB 3.43Å; A325-T329 PolarHBondContact O-N 3.18Å; A325-T329 PolarHBondContact O-OG1 3.4Å; A325-Y352 HydrophobicContact CB-CD1 3.69Å; A325-Y352 HydrophobicContact CB-CE1 3.95Å; A325-I356 HydrophobicContact CB-CD1 4.02Å; A325-I356 HydrophobicContact CB-CG1 3.89Å
326	R	98.8	Very high	98.7	Very high	22 Å²	22	40.5 Å²	40.5	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-48.1	175.1	-174.7	176.1	-69.8	107.1	0.9	111.5	E105 I281 Q285 L322 E323 L328 T329 Y330	E105-R326 IonicContact OE1-CZ 2.78Å; E105-R326 IonicContact OE1-NE 2.98Å; E105-R326 PolarHBondContact OE1-NE 2.94Å; E105-R326 IonicContact OE1-NH2 3.09Å; E105-R326 PolarHBondContact OE1-NH2 3.46Å; E105-R326 IonicContact OE2-NE 2.62Å; I281-R326 HydrophobicContact CD1-CB 4.35Å; I281-R326 HydrophobicContact CG2-CB 4.17Å; I281-R326 HydrophobicContact CG2-CG 4.42Å; Q285-R326 VanDerWaalsContact OE1-NH2 3.17Å; L322-R326 PolarHBondContact O-N 3.48Å; E323-R326 WeakPolarHBondContact O-CB 3.37Å; E323-R326 PolarHBondContact O-N 2.84Å; E323-R326 IonicContact OE2-CZ 3.88Å; E323-R326 IonicContact OE2-NH1 3.62Å; E323-R326 PolarHBondContact OE2-NH1 2.56Å; R326-L328 PolarHBondContact O-N 3.01Å; R326-T329 PolarHBondContact O-N 3.03Å; R326-Y330 HydrophobicContact CG-CD1 4.05Å; R326-Y330 HydrophobicContact CG-CD2 4.17Å; R326-Y330 HydrophobicContact CG-CE1 3.83Å; R326-Y330 HydrophobicContact CG-CE2 3.95Å; R326-Y330 HydrophobicContact CG-CG 4.24Å; R326-Y330 WeakPolarHBondContact O-CB 3.35Å; R326-Y330 WeakPolarHBondContact O-CD1 3.48Å; R326-Y330 PolarHBondContact O-N 3.49Å
327	L	98.8	Very high	98.5	Very high	70 Å²	70	41 Å²	41	37%	0.366	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-41.4	178.2	-64.3	175.4	0	0	0	112.3	L33 T34 E323 A324 T329 N331	L33-L327 HydrophobicContact CB-CD2 4.43Å; L33-L327 HydrophobicContact CD2-CD2 4.24Å; L33-L327 WeakPolarHBondContact CD2-O 3.17Å; T34-L327 HydrophobicContact CG2-CD2 3.8Å; E323-L327 HydrophobicContact CG-CD1 4.46Å; E323-L327 WeakPolarHBondContact O-CG 3.49Å; E323-L327 PolarHBondContact O-N 2.82Å; A324-L327 PolarHBondContact O-N 2.64Å; L327-T329 VanDerWaalsContact C-N 3.35Å; L327-T329 PolarHBondContact O-N 3.12Å; L327-N331 VanDerWaalsContact O-CB 3.24Å; L327-N331 WeakPolarHBondContact O-CB 3.2Å; L327-N331 PolarHBondContact O-N 3.33Å
328	L	98.8	Very high	98.4	Very high	67 Å²	67	39.6 Å²	39.6	35%	0.351	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-46	173.9	-76.1	174	0	0	0	112	A324 A325 R326 N331 A332 A349 Y352	A324-L328 WeakPolarHBondContact O-CG 3.14Å; A324-L328 PolarHBondContact O-N 3.05Å; A325-L328 PolarHBondContact O-N 3.36Å; R326-L328 PolarHBondContact O-N 3.01Å; L328-N331 PolarHBondContact O-N 3.02Å; L328-A332 WeakPolarHBondContact O-CB 3.39Å; L328-A332 PolarHBondContact O-N 3.3Å; L328-A349 HydrophobicContact CB-CB 4.28Å; L328-Y352 HydrophobicContact CD1-CD1 3.83Å; L328-Y352 HydrophobicContact CD1-CG 4.1Å
329	T	98.9	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-46.1	-177.6	-58	0	0	0	0	111.7	V101 I274 A277 A278 I281 A325 R326 L327 N331 A332 A333	V101-T329 HydrophobicContact CG1-CG2 4.12Å; I274-T329 HydrophobicContact CG2-CG2 3.95Å; A277-T329 HydrophobicContact CB-CG2 3.76Å; A277-T329 WeakPolarHBondContact CB-OG1 3.37Å; A278-T329 HydrophobicContact CB-CG2 4.35Å; I281-T329 VanDerWaalsContact CD1-CB 3.5Å; I281-T329 HydrophobicContact CD1-CG2 3.94Å; I281-T329 WeakPolarHBondContact CD1-OG1 3.44Å; A325-T329 WeakPolarHBondContact O-CB 3.43Å; A325-T329 PolarHBondContact O-N 3.18Å; A325-T329 PolarHBondContact O-OG1 3.4Å; R326-T329 PolarHBondContact O-N 3.03Å; L327-T329 VanDerWaalsContact C-N 3.35Å; L327-T329 PolarHBondContact O-N 3.12Å; T329-N331 VanDerWaalsContact C-N 3.29Å; T329-N331 PolarHBondContact O-N 3.12Å; T329-A332 PolarHBondContact O-N 2.85Å; T329-A333 PolarHBondContact O-N 2.99Å
330	Y	98.8	Very high	98.1	Very high	8 Å²	8	44.5 Å²	44.5	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-40.1	177.7	-76.8	14.4	0	0	0	110.6	L33 T34 F98 V101 E105 R326 A333 R334	L33-Y330 HydrophobicContact CG-CD2 4.37Å; T34-Y330 HydrophobicContact CG2-CD2 4.49Å; F98-Y330 AromaticContact CE2-CD1 3.66Å; F98-Y330 HydrophobicContact CE2-CD1 3.66Å; F98-Y330 AromaticContact CE2-CD2 3.78Å; F98-Y330 HydrophobicContact CE2-CD2 3.78Å; F98-Y330 HydrophobicContact CE2-CE1 4.06Å; F98-Y330 HydrophobicContact CE2-CE2 4.17Å; F98-Y330 AromaticContact CE2-CG 3.49Å; F98-Y330 HydrophobicContact CE2-CG 3.49Å; F98-Y330 VanDerWaalsContact CE2-CG 3.49Å; F98-Y330 HydrophobicContact CZ-CD1 4.12Å; F98-Y330 AromaticContact CZ-CD2 3.6Å; F98-Y330 HydrophobicContact CZ-CD2 3.6Å; F98-Y330 HydrophobicContact CZ-CE1 4.16Å; F98-Y330 AromaticContact CZ-CE2 3.65Å; F98-Y330 HydrophobicContact CZ-CE2 3.65Å; F98-Y330 AromaticContact CZ-CG 3.83Å; F98-Y330 HydrophobicContact CZ-CG 3.83Å; F98-Y330 AromaticContact CZ-CZ 3.92Å; V101-Y330 HydrophobicContact CG1-CD1 4.02Å; V101-Y330 HydrophobicContact CG1-CE1 3.98Å; E105-Y330 WeakPolarHBondContact OE2-CE1 3.26Å; E105-Y330 PolarHBondContact OE2-OH 3.45Å; E105-Y330 VanDerWaalsContact OE2-OH 3.13Å; R326-Y330 HydrophobicContact CG-CD1 4.05Å; R326-Y330 HydrophobicContact CG-CD2 4.17Å; R326-Y330 HydrophobicContact CG-CE1 3.83Å; R326-Y330 HydrophobicContact CG-CE2 3.95Å; R326-Y330 HydrophobicContact CG-CG 4.24Å; R326-Y330 WeakPolarHBondContact O-CB 3.35Å; R326-Y330 WeakPolarHBondContact O-CD1 3.48Å; R326-Y330 PolarHBondContact O-N 3.49Å; Y330-A333 WeakPolarHBondContact O-CB 3.45Å; Y330-A333 PolarHBondContact O-N 3.2Å; Y330-R334 WeakPolarHBondContact O-CG 3.29Å; Y330-R334 PolarHBondContact O-N 2.84Å
331	N	98.7	Very high	98	Very high	74 Å²	74	45.4 Å²	45.4	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-41	179.5	-170	64.3	0	0	0	111.1	L33 L327 L328 T329 A333 R334 L335	L33-N331 HydrophobicContact CD2-CB 3.81Å; L327-N331 VanDerWaalsContact O-CB 3.24Å; L327-N331 WeakPolarHBondContact O-CB 3.2Å; L327-N331 PolarHBondContact O-N 3.33Å; L328-N331 PolarHBondContact O-N 3.02Å; T329-N331 VanDerWaalsContact C-N 3.29Å; T329-N331 PolarHBondContact O-N 3.12Å; N331-A333 VanDerWaalsContact C-N 3.26Å; N331-A333 PolarHBondContact O-N 3.44Å; N331-R334 PolarHBondContact O-N 3.17Å; N331-L335 VanDerWaalsContact O-CG 3.31Å; N331-L335 WeakPolarHBondContact O-CG 3.47Å; N331-L335 PolarHBondContact O-N 3.13Å
332	A	98.8	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-39.7	173.7	0	0	0	0	0	111.9	I274 L328 T329 L335 K336 E345	I274-A332 HydrophobicContact CD1-CB 4.03Å; I274-A332 HydrophobicContact CG1-CB 4.09Å; L328-A332 WeakPolarHBondContact O-CB 3.39Å; L328-A332 PolarHBondContact O-N 3.3Å; T329-A332 PolarHBondContact O-N 2.85Å; A332-L335 PolarHBondContact O-N 2.69Å; A332-K336 PolarHBondContact O-N 3.21Å; A332-E345 HydrophobicContact CB-CB 4.05Å
333	A	98.6	Very high	97.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-47.2	175	0	0	0	0	0	112	F97 F98 V101 I274 T329 Y330 N331 L335 K336 E337	F97-A333 HydrophobicContact CD1-CB 4.06Å; F97-A333 HydrophobicContact CE1-CB 4.12Å; F98-A333 HydrophobicContact CD2-CB 3.86Å; V101-A333 HydrophobicContact CG2-CB 3.86Å; I274-A333 HydrophobicContact CG2-CB 4.06Å; T329-A333 PolarHBondContact O-N 2.99Å; Y330-A333 WeakPolarHBondContact O-CB 3.45Å; Y330-A333 PolarHBondContact O-N 3.2Å; N331-A333 VanDerWaalsContact C-N 3.26Å; N331-A333 PolarHBondContact O-N 3.44Å; A333-L335 PolarHBondContact O-N 2.97Å; A333-K336 WeakPolarHBondContact O-CB 3.35Å; A333-K336 PolarHBondContact O-N 3.27Å; A333-E337 WeakPolarHBondContact O-CG 3.48Å; A333-E337 PolarHBondContact O-N 3.38Å
334	R	97.8	Very high	97.9	Very high	64 Å²	64	44.3 Å²	44.3	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-36.7	177.2	-62.7	-49.1	-171.6	173.3	5.6	113	L33 E40 F98 Y330 N331 E337 A338	L33-R334 HydrophobicContact CD1-CG 3.53Å; E40-R334 IonicContact OE1-CZ 2.69Å; E40-R334 IonicContact OE1-NH1 3.51Å; E40-R334 PolarHBondContact OE1-NH1 3.34Å; E40-R334 IonicContact OE1-NH2 3.55Å; E40-R334 PolarHBondContact OE1-NH2 2.92Å; E40-R334 IonicContact OE2-NH2 2.76Å; E40-R334 PolarHBondContact OE2-NH2 2.94Å; F98-R334 VanDerWaalsContact CD1-NH2 3.33Å; Y330-R334 WeakPolarHBondContact O-CG 3.29Å; Y330-R334 PolarHBondContact O-N 2.84Å; N331-R334 PolarHBondContact O-N 3.17Å; R334-E337 WeakPolarHBondContact CD-OE2 3.34Å; R334-E337 IonicContact CZ-OE2 2.64Å; R334-E337 IonicContact NE-OE2 2.92Å; R334-E337 IonicContact NH1-OE2 3.39Å; R334-E337 PolarHBondContact NH1-OE2 3.02Å; R334-E337 PolarHBondContact O-N 3.21Å; R334-A338 WeakPolarHBondContact O-CB 3.4Å; R334-A338 PolarHBondContact O-N 3.2Å
335	L	98.4	Very high	97.9	Very high	33 Å²	33	44.7 Å²	44.7	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-44.5	173.4	-72.2	169.8	0	0	0	111.1	N331 A332 A333 A338 G339 L340 F342 E345	N331-L335 VanDerWaalsContact O-CG 3.31Å; N331-L335 WeakPolarHBondContact O-CG 3.47Å; N331-L335 PolarHBondContact O-N 3.13Å; A332-L335 PolarHBondContact O-N 2.69Å; A333-L335 PolarHBondContact O-N 2.97Å; L335-A338 PolarHBondContact O-N 3.46Å; L335-G339 PolarHBondContact O-N 2.84Å; L335-L340 HydrophobicContact CB-CB 4.44Å; L335-L340 HydrophobicContact CD2-CB 3.91Å; L335-L340 HydrophobicContact CD2-CD1 3.81Å; L335-L340 PolarHBondContact O-N 2.78Å; L335-F342 HydrophobicContact CB-CB 3.71Å; L335-E345 HydrophobicContact CD1-CB 4.02Å; L335-E345 HydrophobicContact CD1-CG 3.64Å
336	K	97.2	Very high	97.9	Very high	43 Å²	43	44.7 Å²	44.7	19%	0.187	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-48.2	174.4	-178.7	-89.2	-170.4	173.9	0	111.5	E85 F97 I274 A332 A333 A338 G339 F342	E85-K336 IonicContact OE1-NZ 2.64Å; E85-K336 PolarHBondContact OE1-NZ 3.05Å; E85-K336 IonicContact OE2-NZ 3.8Å; F97-K336 HydrophobicContact CB-CD 3.9Å; F97-K336 HydrophobicContact CD1-CB 4.36Å; F97-K336 HydrophobicContact CD1-CD 3.63Å; F97-K336 HydrophobicContact CD1-CG 4.26Å; F97-K336 HydrophobicContact CD2-CD 4.48Å; F97-K336 HydrophobicContact CE1-CD 4.29Å; F97-K336 HydrophobicContact CG-CD 3.72Å; I274-K336 HydrophobicContact CD1-CB 4.39Å; A332-K336 PolarHBondContact O-N 3.21Å; A333-K336 WeakPolarHBondContact O-CB 3.35Å; A333-K336 PolarHBondContact O-N 3.27Å; K336-A338 VanDerWaalsContact C-N 3.27Å; K336-A338 PolarHBondContact O-N 3.45Å; K336-G339 PolarHBondContact O-N 3.02Å; K336-F342 HydrophobicContact CB-CD1 3.86Å; K336-F342 HydrophobicContact CB-CD2 4.15Å; K336-F342 HydrophobicContact CB-CE1 3.99Å; K336-F342 HydrophobicContact CB-CE2 4.26Å; K336-F342 HydrophobicContact CB-CG 3.95Å; K336-F342 HydrophobicContact CB-CZ 4.19Å; K336-F342 HydrophobicContact CG-CD1 4.22Å; K336-F342 HydrophobicContact CG-CE1 3.81Å; K336-F342 HydrophobicContact CG-CE2 4.22Å; K336-F342 HydrophobicContact CG-CZ 3.81Å
337	E	95.6	Very high	97.9	Very high	64 Å²	64	43.6 Å²	43.6	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-39.2	178.1	-71.5	-179.2	151.7	0	0	112.4	P96 F97 F98 A333 R334 G339	P96-E337 VanDerWaalsContact CB-OE1 3.31Å; P96-E337 WeakPolarHBondContact CB-OE1 3.45Å; F97-E337 HydrophobicContact CB-CG 3.88Å; F97-E337 PolarHBondContact N-OE1 3.32Å; F97-E337 VanDerWaalsContact N-OE1 3.14Å; F98-E337 WeakPolarHBondContact CB-OE1 3.39Å; F98-E337 PolarHBondContact N-OE1 2.88Å; A333-E337 WeakPolarHBondContact O-CG 3.48Å; A333-E337 PolarHBondContact O-N 3.38Å; R334-E337 WeakPolarHBondContact CD-OE2 3.34Å; R334-E337 IonicContact CZ-OE2 2.64Å; R334-E337 IonicContact NE-OE2 2.92Å; R334-E337 IonicContact NH1-OE2 3.39Å; R334-E337 PolarHBondContact NH1-OE2 3.02Å; R334-E337 PolarHBondContact O-N 3.21Å; E337-G339 PolarHBondContact O-N 3.24Å
338	A	95.6	Very high	97.9	Very high	66 Å²	66	43.2 Å²	43.2	55%	0.545	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	0.1	178.3	0	0	0	0	0	113.8	R334 L335 K336 L340	R334-A338 WeakPolarHBondContact O-CB 3.4Å; R334-A338 PolarHBondContact O-N 3.2Å; L335-A338 PolarHBondContact O-N 3.46Å; K336-A338 VanDerWaalsContact C-N 3.27Å; K336-A338 PolarHBondContact O-N 3.45Å; A338-L340 HydrophobicContact CB-CD1 3.9Å; A338-L340 HydrophobicContact CB-CG 3.89Å; A338-L340 PolarHBondContact O-N 3.23Å
339	G	94.9	Very high	97.9	Very high	70 Å²	70	40 Å²	40	72%	0.722	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	19.7	-175	0	0	0	0	0	113.6	L335 K336 E337	L335-G339 PolarHBondContact O-N 2.84Å; K336-G339 PolarHBondContact O-N 3.02Å; E337-G339 PolarHBondContact O-N 3.24Å
340	L	97.3	Very high	97.9	Very high	90 Å²	90	40 Å²	40	47%	0.471	23%	0.231	S	C	.	.			trans	-86.7	157.4	179.2	-65.5	175.1	0	0	0	110.7	L335 A338 F342	L335-L340 HydrophobicContact CB-CB 4.44Å; L335-L340 HydrophobicContact CD2-CB 3.91Å; L335-L340 HydrophobicContact CD2-CD1 3.81Å; L335-L340 PolarHBondContact O-N 2.78Å; A338-L340 HydrophobicContact CB-CD1 3.9Å; A338-L340 HydrophobicContact CB-CG 3.89Å; A338-L340 PolarHBondContact O-N 3.23Å; L340-F342 WeakPolarHBondContact O-CD1 3.5Å; L340-F342 PolarHBondContact O-N 3.35Å
341	P	96.4	Very high	97.9	Very high	114 Å²	114	40.6 Å²	40.6	74%	0.74	24%	0.235	S	C	*	.			trans	-54.7	124.3	171.9	-24.4	34.5	0	0	0	111
342	F	98.1	Very high	98	Very high	39 Å²	39	40.2 Å²	40.2	17%	0.171	23%	0.228	C	C	.	.			trans	-134.4	-0.7	-176.4	72	-90.8	0	0	0	113.6	N270 I274 L335 K336 L340 K344 E345 A346	N270-F342 HydrophobicContact CB-CE2 3.99Å; N270-F342 HydrophobicContact CB-CZ 4.28Å; I274-F342 HydrophobicContact CD1-CD2 3.88Å; I274-F342 HydrophobicContact CD1-CE2 4.07Å; L335-F342 HydrophobicContact CB-CB 3.71Å; K336-F342 HydrophobicContact CB-CD1 3.86Å; K336-F342 HydrophobicContact CB-CD2 4.15Å; K336-F342 HydrophobicContact CB-CE1 3.99Å; K336-F342 HydrophobicContact CB-CE2 4.26Å; K336-F342 HydrophobicContact CB-CG 3.95Å; K336-F342 HydrophobicContact CB-CZ 4.19Å; K336-F342 HydrophobicContact CG-CD1 4.22Å; K336-F342 HydrophobicContact CG-CE1 3.81Å; K336-F342 HydrophobicContact CG-CE2 4.22Å; K336-F342 HydrophobicContact CG-CZ 3.81Å; L340-F342 WeakPolarHBondContact O-CD1 3.5Å; L340-F342 PolarHBondContact O-N 3.35Å; F342-K344 VanDerWaalsContact C-N 3.32Å; F342-K344 PolarHBondContact O-N 2.92Å; F342-E345 PolarHBondContact O-N 3.43Å; F342-A346 HydrophobicContact CD2-CB 4.03Å; F342-A346 HydrophobicContact CE2-CB 4.49Å; F342-A346 WeakPolarHBondContact O-CB 3.43Å; F342-A346 PolarHBondContact O-N 3.47Å
343	V	98.6	Very high	98	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.218	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-172.3	176.2	0	0	0	0	111.8	N270 A347 T402 Q406	N270-V343 HydrophobicContact CB-CG2 4.46Å; V343-A347 WeakPolarHBondContact O-CB 3.11Å; V343-A347 PolarHBondContact O-N 2.68Å; V343-T402 HydrophobicContact CG1-CG2 3.92Å; V343-Q406 HydrophobicContact CG1-CG 4.37Å
344	K	98.6	Very high	98	Very high	33 Å²	33	40.5 Å²	40.5	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-47.7	178.5	-174.7	-179.8	68.6	-173.2	0	110.3	F342 A347 M348 Q406 I407 E410	F342-K344 VanDerWaalsContact C-N 3.32Å; F342-K344 PolarHBondContact O-N 2.92Å; K344-A347 PolarHBondContact O-N 2.94Å; K344-M348 HydrophobicContact CD-CE 3.88Å; K344-M348 HydrophobicContact CG-CE 3.73Å; K344-M348 HydrophobicContact CG-SD 4.21Å; K344-M348 WeakPolarHBondContact O-CG 3.38Å; K344-M348 PolarHBondContact O-N 3.25Å; K344-Q406 HydrophobicContact CB-CB 3.8Å; K344-Q406 HydrophobicContact CB-CG 3.99Å; K344-Q406 HydrophobicContact CD-CB 4.09Å; K344-Q406 HydrophobicContact CG-CB 4.02Å; K344-I407 HydrophobicContact CD-CG1 4.21Å; K344-E410 WeakPolarHBondContact CE-OE1 3.28Å; K344-E410 IonicContact NZ-OE1 2.82Å; K344-E410 PolarHBondContact NZ-OE1 3.39Å; K344-E410 IonicContact NZ-OE2 3.77Å; K344-E410 PolarHBondContact NZ-OE2 3.43Å
345	E	98.8	Very high	98	Very high	45 Å²	45	41.6 Å²	41.6	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-39.6	-177.4	-67.8	70.8	-155	0	0	111.5	A332 L335 F342 M348 A349	A332-E345 HydrophobicContact CB-CB 4.05Å; L335-E345 HydrophobicContact CD1-CB 4.02Å; L335-E345 HydrophobicContact CD1-CG 3.64Å; F342-E345 PolarHBondContact O-N 3.43Å; E345-M348 PolarHBondContact O-N 2.98Å; E345-A349 VanDerWaalsContact O-CB 3.23Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 3.38Å
346	A	98.9	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-42.9	173	0	0	0	0	0	112	N270 R273 I274 F342 A349 K350	N270-A346 WeakPolarHBondContact O-CB 3.22Å; R273-A346 HydrophobicContact CB-CB 4.33Å; I274-A346 HydrophobicContact CD1-CB 4.1Å; I274-A346 HydrophobicContact CG1-CB 3.62Å; F342-A346 HydrophobicContact CD2-CB 4.03Å; F342-A346 HydrophobicContact CE2-CB 4.49Å; F342-A346 WeakPolarHBondContact O-CB 3.43Å; F342-A346 PolarHBondContact O-N 3.47Å; A346-A349 PolarHBondContact O-N 2.8Å; A346-K350 WeakPolarHBondContact O-CB 3.42Å; A346-K350 PolarHBondContact O-N 2.97Å
347	A	98.8	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-40.3	175.9	0	0	0	0	0	111.9	V343 K344 L351 Q399 T402 I403	V343-A347 WeakPolarHBondContact O-CB 3.11Å; V343-A347 PolarHBondContact O-N 2.68Å; K344-A347 PolarHBondContact O-N 2.94Å; A347-L351 VanDerWaalsContact O-CB 3.24Å; A347-L351 WeakPolarHBondContact O-CB 3.35Å; A347-L351 PolarHBondContact O-N 3.37Å; A347-Q399 HydrophobicContact CB-CB 4.49Å; A347-T402 HydrophobicContact CB-CG2 4.1Å; A347-I403 HydrophobicContact CB-CD1 4.22Å; A347-I403 HydrophobicContact CB-CG1 3.7Å
348	M	98.9	Very high	98.2	Very high	61 Å²	61	36.1 Å²	36.1	30%	0.3	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-47.5	173.9	-73.5	177.2	173.9	0	0	111.7	K344 E345 K350 L351 Y352 I403	K344-M348 HydrophobicContact CD-CE 3.88Å; K344-M348 HydrophobicContact CG-CE 3.73Å; K344-M348 HydrophobicContact CG-SD 4.21Å; K344-M348 WeakPolarHBondContact O-CG 3.38Å; K344-M348 PolarHBondContact O-N 3.25Å; E345-M348 PolarHBondContact O-N 2.98Å; M348-K350 PolarHBondContact O-N 3.42Å; M348-L351 PolarHBondContact O-N 3.01Å; M348-Y352 VanDerWaalsContact O-CB 3.24Å; M348-Y352 WeakPolarHBondContact O-CB 3.28Å; M348-Y352 PolarHBondContact O-N 2.95Å; M348-I403 HydrophobicContact CB-CD1 4.45Å; M348-I403 HydrophobicContact CE-CG2 3.77Å; M348-I403 HydrophobicContact CG-CD1 3.78Å; M348-I403 HydrophobicContact CG-CG1 3.96Å; M348-I403 HydrophobicContact CG-CG2 4.43Å
349	A	98.9	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-49.6	178.1	0	0	0	0	0	111	A277 L328 E345 A346 S353	A277-A349 HydrophobicContact CB-CB 4.04Å; L328-A349 HydrophobicContact CB-CB 4.28Å; E345-A349 VanDerWaalsContact O-CB 3.23Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 3.38Å; A346-A349 PolarHBondContact O-N 2.8Å; A349-S353 WeakPolarHBondContact O-CB 3.06Å; A349-S353 PolarHBondContact O-N 2.98Å; A349-S353 PolarHBondContact O-OG 2.62Å
350	K	98.8	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-45.5	178.5	-166	-86.5	-171.6	179.2	0	112.5	R273 I276 A346 M348 S353 S354 G389 Y392 G394 Q399	R273-K350 HydrophobicContact CB-CB 4Å; R273-K350 HydrophobicContact CB-CG 4.21Å; R273-K350 HydrophobicContact CG-CB 4.34Å; R273-K350 HydrophobicContact CG-CG 4.27Å; R273-K350 WeakPolarHBondContact O-CB 3.27Å; I276-K350 HydrophobicContact CB-CG 4.12Å; I276-K350 HydrophobicContact CG2-CD 4.46Å; I276-K350 HydrophobicContact CG2-CG 3.98Å; A346-K350 WeakPolarHBondContact O-CB 3.42Å; A346-K350 PolarHBondContact O-N 2.97Å; M348-K350 PolarHBondContact O-N 3.42Å; K350-S353 PolarHBondContact O-OG 2.95Å; K350-S354 WeakPolarHBondContact O-CB 3.37Å; K350-S354 PolarHBondContact O-N 3.18Å; K350-S354 VanDerWaalsContact O-N 3.11Å; K350-S354 PolarHBondContact O-OG 2.88Å; K350-G389 WeakPolarHBondContact CE-O 3.24Å; K350-G389 PolarHBondContact NZ-O 3.4Å; K350-Y392 VanDerWaalsContact CE-O 3.27Å; K350-Y392 WeakPolarHBondContact CE-O 3.35Å; K350-Y392 PolarHBondContact NZ-O 3.27Å; K350-G394 PolarHBondContact NZ-O 3.35Å; K350-Q399 HydrophobicContact CD-CG 3.92Å
351	L	98.9	Very high	98.6	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.11	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-52	178.1	177.4	62.8	0	0	0	111.1	A347 M348 S354 Q355 Q399 M400 I403	A347-L351 VanDerWaalsContact O-CB 3.24Å; A347-L351 WeakPolarHBondContact O-CB 3.35Å; A347-L351 PolarHBondContact O-N 3.37Å; M348-L351 PolarHBondContact O-N 3.01Å; L351-S354 PolarHBondContact O-OG 2.97Å; L351-Q355 WeakPolarHBondContact O-CG 3.27Å; L351-Q355 PolarHBondContact O-N 3.27Å; L351-Q399 HydrophobicContact CB-CB 4.06Å; L351-M400 HydrophobicContact CD1-CG 4.49Å; L351-M400 HydrophobicContact CD2-CG 3.71Å; L351-I403 HydrophobicContact CD2-CD1 3.85Å
352	Y	98.9	Very high	98.8	Very high	66 Å²	66	25.3 Å²	25.3	26%	0.259	13%	0.13	S	C	.	.	H	α-helix	trans	-69	-46	-174.8	-170.9	-106	0	0	0	111.9	R321 A324 A325 L328 M348 S354 Q355 I356	R321-Y352 WeakPolarHBondContact O-CE1 3.44Å; A324-Y352 HydrophobicContact CB-CE1 4.07Å; A325-Y352 HydrophobicContact CB-CD1 3.69Å; A325-Y352 HydrophobicContact CB-CE1 3.95Å; L328-Y352 HydrophobicContact CD1-CD1 3.83Å; L328-Y352 HydrophobicContact CD1-CG 4.1Å; M348-Y352 VanDerWaalsContact O-CB 3.24Å; M348-Y352 WeakPolarHBondContact O-CB 3.28Å; M348-Y352 PolarHBondContact O-N 2.95Å; Y352-S354 PolarHBondContact O-N 2.82Å; Y352-Q355 PolarHBondContact O-N 3.31Å; Y352-I356 HydrophobicContact CD1-CG2 4.25Å; Y352-I356 HydrophobicContact CD2-CG2 4.45Å; Y352-I356 HydrophobicContact CE1-CG2 3.87Å; Y352-I356 HydrophobicContact CE2-CG2 4.1Å; Y352-I356 WeakPolarHBondContact O-CG1 3.48Å; Y352-I356 WeakPolarHBondContact O-CG2 3.46Å; Y352-I356 PolarHBondContact O-N 3.31Å
353	S	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-40.5	177.8	59.8	0	0	0	0	112.6	A277 A349 K350 I356 A357	A277-S353 VanDerWaalsContact CA-OG 3.25Å; A277-S353 WeakPolarHBondContact CA-OG 3.09Å; A277-S353 WeakPolarHBondContact CB-OG 3.41Å; A349-S353 WeakPolarHBondContact O-CB 3.06Å; A349-S353 PolarHBondContact O-N 2.98Å; A349-S353 PolarHBondContact O-OG 2.62Å; K350-S353 PolarHBondContact O-OG 2.95Å; S353-I356 WeakPolarHBondContact O-CG1 3.2Å; S353-A357 WeakPolarHBondContact O-CB 3.39Å; S353-A357 PolarHBondContact O-N 2.87Å
354	S	98.9	Very high	98.8	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-67.7	-36.1	177.6	60.6	0	0	0	0	113.4	K350 L351 Y352 G358 G389	K350-S354 WeakPolarHBondContact O-CB 3.37Å; K350-S354 PolarHBondContact O-N 3.18Å; K350-S354 VanDerWaalsContact O-N 3.11Å; K350-S354 PolarHBondContact O-OG 2.88Å; L351-S354 PolarHBondContact O-OG 2.97Å; Y352-S354 PolarHBondContact O-N 2.82Å; S354-G358 PolarHBondContact O-N 3.33Å; S354-G389 VanDerWaalsContact CB-O 3.29Å; S354-G389 WeakPolarHBondContact CB-O 3.37Å
355	Q	98.7	Very high	98.8	Very high	86 Å²	86	23.2 Å²	23.2	40%	0.402	12%	0.119	S	C	.	.	H	α-helix	trans	-67.9	-50.7	175.2	-72.8	174.2	-18.3	0	0	111.4	L351 Y352 A357 G358 E359	L351-Q355 WeakPolarHBondContact O-CG 3.27Å; L351-Q355 PolarHBondContact O-N 3.27Å; Y352-Q355 PolarHBondContact O-N 3.31Å; Q355-A357 PolarHBondContact O-N 2.95Å; Q355-G358 PolarHBondContact O-N 2.99Å; Q355-E359 PolarHBondContact O-N 3.3Å; Q355-E359 VanDerWaalsContact O-N 3.12Å
356	I	98.6	Very high	98.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-28.5	-180	66.7	89.8	0	0	0	111.6	R321 L322 A325 Y352 S353 E359 T360	R321-I356 HydrophobicContact CB-CG2 4.1Å; L322-I356 HydrophobicContact CB-CD1 4.46Å; L322-I356 HydrophobicContact CD1-CD1 3.73Å; A325-I356 HydrophobicContact CB-CD1 4.02Å; A325-I356 HydrophobicContact CB-CG1 3.89Å; Y352-I356 HydrophobicContact CD1-CG2 4.25Å; Y352-I356 HydrophobicContact CD2-CG2 4.45Å; Y352-I356 HydrophobicContact CE1-CG2 3.87Å; Y352-I356 HydrophobicContact CE2-CG2 4.1Å; Y352-I356 WeakPolarHBondContact O-CG1 3.48Å; Y352-I356 WeakPolarHBondContact O-CG2 3.46Å; Y352-I356 PolarHBondContact O-N 3.31Å; S353-I356 WeakPolarHBondContact O-CG1 3.2Å; I356-E359 PolarHBondContact O-N 3.37Å; I356-T360 WeakPolarHBondContact O-CB 3.45Å; I356-T360 PolarHBondContact O-N 2.8Å; I356-T360 PolarHBondContact O-OG1 3.17Å
357	A	98.9	Very high	98.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-42.9	174.1	0	0	0	0	0	112	M280 S284 S353 Q355 T361 C386	M280-A357 HydrophobicContact CB-CB 4.03Å; M280-A357 HydrophobicContact CG-CB 4.45Å; M280-A357 HydrophobicContact SD-CB 3.94Å; S284-A357 WeakPolarHBondContact OG-CA 3.25Å; S284-A357 VanDerWaalsContact OG-CB 3.26Å; S284-A357 WeakPolarHBondContact OG-CB 3.42Å; S353-A357 WeakPolarHBondContact O-CB 3.39Å; S353-A357 PolarHBondContact O-N 2.87Å; Q355-A357 PolarHBondContact O-N 2.95Å; A357-T361 WeakPolarHBondContact O-CB 3.49Å; A357-T361 VanDerWaalsContact O-CG2 3.28Å; A357-T361 WeakPolarHBondContact O-CG2 3.39Å; A357-T361 PolarHBondContact O-N 3.12Å; A357-T361 PolarHBondContact O-OG1 3.42Å; A357-C386 HydrophobicContact CB-CB 3.99Å
358	G	98.7	Very high	98.7	Very high	24 Å²	24	27.8 Å²	27.8	25%	0.247	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-46.2	173.2	0	0	0	0	0	112.8	S354 Q355 T361 S362	S354-G358 PolarHBondContact O-N 3.33Å; Q355-G358 PolarHBondContact O-N 2.99Å; G358-T361 PolarHBondContact O-OG1 3.05Å; G358-S362 VanDerWaalsContact O-CB 3.32Å; G358-S362 WeakPolarHBondContact O-CB 3.42Å; G358-S362 PolarHBondContact O-N 3.03Å; G358-S362 VanDerWaalsContact O-N 3.13Å
359	E	98.5	Very high	98.6	Very high	77 Å²	77	26.6 Å²	26.6	36%	0.36	14%	0.144	S	C	.	.	H	α-helix	trans	-69.5	-44.8	179.8	-66.8	-179	-139.2	0	0	112.7	R321 Q355 I356 S362 K363	R321-E359 IonicContact CZ-OE1 2.94Å; R321-E359 IonicContact CZ-OE2 3.99Å; R321-E359 IonicContact NH1-OE1 3.17Å; R321-E359 IonicContact NH1-OE2 3.29Å; R321-E359 PolarHBondContact NH1-OE2 2.86Å; R321-E359 IonicContact NH2-OE1 3.76Å; R321-E359 PolarHBondContact NH2-OE1 2.82Å; R321-E359 IonicContact NH2-OE2 2.86Å; R321-E359 PolarHBondContact NH2-OE2 2.74Å; Q355-E359 PolarHBondContact O-N 3.3Å; Q355-E359 VanDerWaalsContact O-N 3.12Å; I356-E359 PolarHBondContact O-N 3.37Å; E359-S362 PolarHBondContact O-N 3.4Å; E359-K363 WeakPolarHBondContact O-CB 3.45Å; E359-K363 WeakPolarHBondContact O-CG 3.45Å; E359-K363 PolarHBondContact O-N 3.4Å
360	T	98.9	Very high	98.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-49.5	-179.4	-64.1	0	0	0	0	110.7	I288 V318 I356 K363 C364	I288-T360 HydrophobicContact CD1-CG2 3.78Å; I288-T360 HydrophobicContact CG1-CG2 3.71Å; V318-T360 HydrophobicContact CG1-CG2 3.66Å; I356-T360 WeakPolarHBondContact O-CB 3.45Å; I356-T360 PolarHBondContact O-N 2.8Å; I356-T360 PolarHBondContact O-OG1 3.17Å; T360-K363 PolarHBondContact O-N 3.49Å; T360-C364 WeakPolarHBondContact O-CB 3.28Å; T360-C364 PolarHBondContact O-N 3.12Å; T360-C364 PolarHBondContact O-SG 3.38Å
361	T	98.8	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-37.5	-177.4	55	0	0	0	0	112.3	L283 C287 A357 G358 C364 V365 Y383 C386	L283-T361 HydrophobicContact CD2-CG2 3.57Å; C287-T361 HydrophobicContact CB-CG2 4.03Å; A357-T361 WeakPolarHBondContact O-CB 3.49Å; A357-T361 VanDerWaalsContact O-CG2 3.28Å; A357-T361 WeakPolarHBondContact O-CG2 3.39Å; A357-T361 PolarHBondContact O-N 3.12Å; A357-T361 PolarHBondContact O-OG1 3.42Å; G358-T361 PolarHBondContact O-OG1 3.05Å; T361-C364 PolarHBondContact O-N 2.87Å; T361-V365 WeakPolarHBondContact O-CG2 3.42Å; T361-V365 PolarHBondContact O-N 3.01Å; T361-Y383 WeakPolarHBondContact OG1-CD2 3.4Å; T361-C386 HydrophobicContact CG2-CB 4.45Å; T361-C386 PolarHBondContact OG1-SG 3.15Å
362	S	98.7	Very high	98.2	Very high	35 Å²	35	30.9 Å²	30.9	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-52	171.9	-168.8	0	0	0	0	111	G358 E359 C364 V365 E366	G358-S362 VanDerWaalsContact O-CB 3.32Å; G358-S362 WeakPolarHBondContact O-CB 3.42Å; G358-S362 PolarHBondContact O-N 3.03Å; G358-S362 VanDerWaalsContact O-N 3.13Å; E359-S362 PolarHBondContact O-N 3.4Å; S362-C364 VanDerWaalsContact C-N 3.31Å; S362-C364 PolarHBondContact O-N 2.86Å; S362-V365 PolarHBondContact O-N 2.94Å; S362-E366 WeakPolarHBondContact O-CG 3.41Å; S362-E366 PolarHBondContact O-N 3.43Å; S362-E366 PolarHBondContact OG-OE1 3.19Å
363	K	98.7	Very high	98.1	Very high	40 Å²	40	35.9 Å²	35.9	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-39.3	178.7	-74.7	-171.2	178	-163.7	0	112	E317 V318 E359 T360 E366 W367	E317-K363 IonicContact OE2-NZ 3.16Å; E317-K363 PolarHBondContact OE2-NZ 3.48Å; V318-K363 HydrophobicContact CG2-CD 3.64Å; E359-K363 WeakPolarHBondContact O-CB 3.45Å; E359-K363 WeakPolarHBondContact O-CG 3.45Å; E359-K363 PolarHBondContact O-N 3.4Å; T360-K363 PolarHBondContact O-N 3.49Å; K363-E366 WeakPolarHBondContact O-CB 3.48Å; K363-E366 PolarHBondContact O-N 3.44Å; K363-W367 HydrophobicContact CB-CD2 4.3Å; K363-W367 HydrophobicContact CB-CH2 4.08Å; K363-W367 HydrophobicContact CB-CZ2 3.62Å; K363-W367 HydrophobicContact CD-CH2 4.49Å; K363-W367 HydrophobicContact CD-CZ2 3.8Å; K363-W367 HydrophobicContact CG-CZ2 4.24Å; K363-W367 WeakPolarHBondContact O-CB 3.37Å; K363-W367 VanDerWaalsContact O-CD1 3.26Å; K363-W367 VanDerWaalsContact O-CD2 3.25Å; K363-W367 PolarHBondContact O-N 3.35Å
364	C	98.8	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-43.4	176.9	-72.5	0	0	0	0	112.7	C287 T291 T360 T361 S362 E366 W367 I368	C287-C364 WeakPolarHBondContact SG-CB 3.34Å; T291-C364 HydrophobicContact CG2-CB 4.25Å; T291-C364 VanDerWaalsContact OG1-CB 3.29Å; T291-C364 WeakPolarHBondContact OG1-CB 3.34Å; T291-C364 PolarHBondContact OG1-SG 2.7Å; T360-C364 WeakPolarHBondContact O-CB 3.28Å; T360-C364 PolarHBondContact O-N 3.12Å; T360-C364 PolarHBondContact O-SG 3.38Å; T361-C364 PolarHBondContact O-N 2.87Å; S362-C364 VanDerWaalsContact C-N 3.31Å; S362-C364 PolarHBondContact O-N 2.86Å; C364-E366 VanDerWaalsContact C-N 3.34Å; C364-E366 PolarHBondContact O-N 3.06Å; C364-W367 PolarHBondContact O-N 2.82Å; C364-I368 WeakPolarHBondContact O-CG1 3.33Å; C364-I368 PolarHBondContact O-N 2.98Å
365	V	98.6	Very high	97.8	Very high	23 Å²	23	44.7 Å²	44.7	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-46.9	173.2	169.4	0	0	0	0	110.3	T361 S362 I368 G369 F373 V379	T361-V365 WeakPolarHBondContact O-CG2 3.42Å; T361-V365 PolarHBondContact O-N 3.01Å; S362-V365 PolarHBondContact O-N 2.94Å; V365-I368 PolarHBondContact O-N 2.95Å; V365-G369 PolarHBondContact O-N 3.3Å; V365-F373 HydrophobicContact CG1-CD2 4.44Å; V365-V379 HydrophobicContact CG2-CG2 4.22Å
366	E	98.3	Very high	97.4	Very high	119 Å²	119	48.4 Å²	48.4	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-62.4	-43.6	178.5	-68.8	165.2	-142.2	0	0	112.8	S362 K363 C364 I368 G369	S362-E366 WeakPolarHBondContact O-CG 3.41Å; S362-E366 PolarHBondContact O-N 3.43Å; S362-E366 PolarHBondContact OG-OE1 3.19Å; K363-E366 WeakPolarHBondContact O-CB 3.48Å; K363-E366 PolarHBondContact O-N 3.44Å; C364-E366 VanDerWaalsContact C-N 3.34Å; C364-E366 PolarHBondContact O-N 3.06Å; E366-I368 VanDerWaalsContact C-N 3.31Å; E366-I368 PolarHBondContact O-N 3.47Å; E366-G369 WeakPolarHBondContact O-CA 3.47Å; E366-G369 PolarHBondContact O-N 3.02Å
367	W	98.4	Very high	96.9	Very high	16 Å²	16	52.5 Å²	52.5	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-28.6	-177.3	-61.3	-18.9	0	0	0	113.2	T291 L295 M311 Q314 L315 V318 K363 C364 G369	T291-W367 HydrophobicContact CG2-CB 4.33Å; T291-W367 HydrophobicContact CG2-CE3 3.82Å; L295-W367 HydrophobicContact CD1-CB 4.32Å; L295-W367 HydrophobicContact CD1-CE3 4.27Å; L295-W367 HydrophobicContact CD2-CB 3.99Å; L295-W367 WeakPolarHBondContact CD2-O 3.29Å; M311-W367 HydrophobicContact CE-CB 4.05Å; M311-W367 HydrophobicContact CE-CG 3.79Å; M311-W367 HydrophobicContact SD-CB 4.15Å; M311-W367 HydrophobicContact SD-CD2 3.82Å; M311-W367 HydrophobicContact SD-CG 3.63Å; Q314-W367 HydrophobicContact CB-CZ2 3.65Å; Q314-W367 VanDerWaalsContact OE1-NE1 3.08Å; L315-W367 HydrophobicContact CD2-CE3 3.89Å; L315-W367 HydrophobicContact CD2-CH2 3.83Å; L315-W367 HydrophobicContact CD2-CZ3 3.36Å; L315-W367 HydrophobicContact CG-CH2 4.29Å; L315-W367 HydrophobicContact CG-CZ3 4.21Å; V318-W367 HydrophobicContact CB-CH2 3.97Å; V318-W367 HydrophobicContact CG1-CH2 4.26Å; V318-W367 HydrophobicContact CG2-CH2 3.69Å; V318-W367 HydrophobicContact CG2-CZ2 4.12Å; K363-W367 HydrophobicContact CB-CD2 4.3Å; K363-W367 HydrophobicContact CB-CH2 4.08Å; K363-W367 HydrophobicContact CB-CZ2 3.62Å; K363-W367 HydrophobicContact CD-CH2 4.49Å; K363-W367 HydrophobicContact CD-CZ2 3.8Å; K363-W367 HydrophobicContact CG-CZ2 4.24Å; K363-W367 WeakPolarHBondContact O-CB 3.37Å; K363-W367 VanDerWaalsContact O-CD1 3.26Å; K363-W367 VanDerWaalsContact O-CD2 3.25Å; K363-W367 PolarHBondContact O-N 3.35Å; C364-W367 PolarHBondContact O-N 2.82Å; W367-G369 VanDerWaalsContact C-N 3.29Å
368	I	97.9	Very high	96.5	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-80.5	-16.9	174.3	-62.7	165.8	0	0	0	110.9	T291 Y294 C364 V365 E366 N371 G372 V379	T291-I368 HydrophobicContact CG2-CD1 4.05Å; T291-I368 HydrophobicContact CG2-CG1 3.96Å; T291-I368 WeakPolarHBondContact OG1-CD1 3.49Å; Y294-I368 HydrophobicContact CD1-CB 4.19Å; Y294-I368 HydrophobicContact CD1-CG1 3.84Å; Y294-I368 HydrophobicContact CD1-CG2 3.97Å; Y294-I368 HydrophobicContact CD2-CG2 4.48Å; Y294-I368 HydrophobicContact CE1-CB 4.12Å; Y294-I368 HydrophobicContact CE1-CG1 4.29Å; Y294-I368 HydrophobicContact CE1-CG2 3.75Å; Y294-I368 HydrophobicContact CE2-CG2 4.29Å; Y294-I368 HydrophobicContact CG-CG1 4.33Å; Y294-I368 HydrophobicContact CG-CG2 4.32Å; Y294-I368 PolarHBondContact OH-O 3.41Å; C364-I368 WeakPolarHBondContact O-CG1 3.33Å; C364-I368 PolarHBondContact O-N 2.98Å; V365-I368 PolarHBondContact O-N 2.95Å; E366-I368 VanDerWaalsContact C-N 3.31Å; E366-I368 PolarHBondContact O-N 3.47Å; I368-N371 HydrophobicContact CG2-CB 3.63Å; I368-G372 VanDerWaalsContact CG2-N 3.28Å; I368-V379 HydrophobicContact CD1-CB 4.09Å; I368-V379 HydrophobicContact CD1-CG1 3.53Å; I368-V379 HydrophobicContact CD1-CG2 3.68Å
369	G	96	Very high	96.4	Very high	37 Å²	37	52.7 Å²	52.7	38%	0.381	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	73.1	-141.8	177	0	0	0	0	0	111.9	V365 E366 W367 N371 G372	V365-G369 PolarHBondContact O-N 3.3Å; E366-G369 WeakPolarHBondContact O-CA 3.47Å; E366-G369 PolarHBondContact O-N 3.02Å; W367-G369 VanDerWaalsContact C-N 3.29Å; G369-N371 PolarHBondContact O-N 2.96Å; G369-N371 VanDerWaalsContact O-N 3.12Å; G369-G372 WeakPolarHBondContact O-CA 3.46Å; G369-G372 PolarHBondContact O-N 3.37Å
370	G	95.7	Very high	96.4	Very high	61 Å²	61	50.5 Å²	50.5	63%	0.629	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-55.5	-33.2	179.8	0	0	0	0	0	113.7	G372 F373	G370-G372 VanDerWaalsContact C-N 3.28Å; G370-G372 PolarHBondContact O-N 3.22Å; G370-F373 PolarHBondContact O-N 2.96Å
371	N	96.7	Very high	96.4	Very high	50 Å²	50	50.8 Å²	50.8	27%	0.267	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-66	-28.9	175	-79.3	-6.1	0	0	0	113	Y294 I368 G369 F373 I374 Y377	Y294-N371 PolarHBondContact OH-ND2 3.29Å; Y294-N371 VanDerWaalsContact OH-ND2 3.12Å; I368-N371 HydrophobicContact CG2-CB 3.63Å; G369-N371 PolarHBondContact O-N 2.96Å; G369-N371 VanDerWaalsContact O-N 3.12Å; N371-F373 PolarHBondContact O-N 3.31Å; N371-I374 VanDerWaalsContact O-CG1 3.27Å; N371-I374 WeakPolarHBondContact O-CG1 3.38Å; N371-Y377 HydrophobicContact CB-CD2 3.65Å; N371-Y377 HydrophobicContact CB-CE2 3.45Å; N371-Y377 VanDerWaalsContact CB-CE2 3.45Å; N371-Y377 HydrophobicContact CB-CG 4.35Å; N371-Y377 VanDerWaalsContact CG-CE2 3.41Å; N371-Y377 PolarHBondContact ND2-OH 3.15Å; N371-Y377 VanDerWaalsContact O-CD2 3.23Å; N371-Y377 WeakPolarHBondContact O-CD2 3.36Å
372	G	97.2	Very high	96.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-74.1	-19.3	177.5	0	0	0	0	0	112.8	I368 G369 G370 V379	I368-G372 VanDerWaalsContact CG2-N 3.28Å; G369-G372 WeakPolarHBondContact O-CA 3.46Å; G369-G372 PolarHBondContact O-N 3.37Å; G370-G372 VanDerWaalsContact C-N 3.28Å; G370-G372 PolarHBondContact O-N 3.22Å; G372-V379 WeakPolarHBondContact O-CG2 3.31Å
373	F	97.1	Very high	96.4	Very high	170 Å²	170	54.7 Å²	54.7	75%	0.746	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-92.2	-9.2	-178.8	-158.2	-102.9	0	0	0	113.4	V365 G370 N371	V365-F373 HydrophobicContact CG1-CD2 4.44Å; G370-F373 PolarHBondContact O-N 2.96Å; N371-F373 PolarHBondContact O-N 3.31Å
374	I	95.6	Very high	96.4	Very high	71 Å²	71	54.4 Å²	54.4	36%	0.364	28%	0.276	S	S	.	.	S	Bend	trans	-100.9	151.3	175.7	63.9	171.6	0	0	0	110.7	N371 E376 Y377	N371-I374 VanDerWaalsContact O-CG1 3.27Å; N371-I374 WeakPolarHBondContact O-CG1 3.38Å; I374-E376 HydrophobicContact CD1-CB 4.09Å; I374-E376 HydrophobicContact CG1-CB 4.33Å; I374-E376 PolarHBondContact O-N 2.83Å; I374-Y377 HydrophobicContact CD1-CD2 4.41Å; I374-Y377 HydrophobicContact CG1-CD2 4.32Å
375	K	94.3	Very high	96.4	Very high	121 Å²	121	54.4 Å²	54.4	53%	0.526	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64.6	-20.4	-176	-68.3	-175.5	170.1	-177.7	0	114.3	E64 Y377 A378	E64-K375 IonicContact OE1-NZ 2.76Å; E64-K375 IonicContact OE2-NZ 3.8Å; E64-K375 PolarHBondContact OE2-NZ 3.29Å; K375-Y377 VanDerWaalsContact C-N 3.31Å; K375-Y377 PolarHBondContact O-N 3.03Å; K375-A378 PolarHBondContact O-N 3.13Å
376	E	90.5	Very high	96.4	Very high	164 Å²	164	53.4 Å²	53.4	77%	0.766	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.2	-36.4	-175.7	-171.6	175.8	-179	0	0	113.4	I374	I374-E376 HydrophobicContact CD1-CB 4.09Å; I374-E376 HydrophobicContact CG1-CB 4.33Å; I374-E376 PolarHBondContact O-N 2.83Å
377	Y	89.6	Confident	96.4	Very high	86 Å²	86	53.3 Å²	53.3	34%	0.337	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-89.2	-5.1	177.9	-72.7	-92.7	0	0	0	113.3	Y294 N371 I374 K375 V379	Y294-Y377 HydrophobicContact CD2-CD1 4.41Å; Y294-Y377 AromaticContact CD2-CE1 3.8Å; Y294-Y377 HydrophobicContact CD2-CE1 3.8Å; Y294-Y377 AromaticContact CE2-CE1 3.89Å; Y294-Y377 HydrophobicContact CE2-CE1 3.89Å; N371-Y377 HydrophobicContact CB-CD2 3.65Å; N371-Y377 HydrophobicContact CB-CE2 3.45Å; N371-Y377 VanDerWaalsContact CB-CE2 3.45Å; N371-Y377 HydrophobicContact CB-CG 4.35Å; N371-Y377 VanDerWaalsContact CG-CE2 3.41Å; N371-Y377 PolarHBondContact ND2-OH 3.15Å; N371-Y377 VanDerWaalsContact O-CD2 3.23Å; N371-Y377 WeakPolarHBondContact O-CD2 3.36Å; I374-Y377 HydrophobicContact CD1-CD2 4.41Å; I374-Y377 HydrophobicContact CG1-CD2 4.32Å; K375-Y377 VanDerWaalsContact C-N 3.31Å; K375-Y377 PolarHBondContact O-N 3.03Å; Y377-V379 PolarHBondContact O-N 3.42Å
378	A	90.4	Very high	96.4	Very high	28 Å²	28	54.6 Å²	54.6	23%	0.231	28%	0.276	C	S	.	.			trans	54.3	6.1	176.4	0	0	0	0	0	116.9	K375 K381	K375-A378 PolarHBondContact O-N 3.13Å; A378-K381 WeakPolarHBondContact O-CB 3.5Å; A378-K381 PolarHBondContact O-N 3.49Å
379	V	96.9	Very high	96.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-72.3	-31.2	178.3	-68.8	0	0	0	0	112.4	R290 V365 I368 G372 Y377 K381 Y382 Y383	R290-V379 HydrophobicContact CB-CG1 4.02Å; V365-V379 HydrophobicContact CG2-CG2 4.22Å; I368-V379 HydrophobicContact CD1-CB 4.09Å; I368-V379 HydrophobicContact CD1-CG1 3.53Å; I368-V379 HydrophobicContact CD1-CG2 3.68Å; G372-V379 WeakPolarHBondContact O-CG2 3.31Å; Y377-V379 PolarHBondContact O-N 3.42Å; V379-K381 PolarHBondContact O-N 2.94Å; V379-Y382 PolarHBondContact O-N 3.07Å; V379-Y382 VanDerWaalsContact O-N 3.16Å; V379-Y383 PolarHBondContact O-N 3.05Å
380	E	98	Very high	96.6	Very high	30 Å²	30	53.7 Å²	53.7	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-33.5	174.1	67.7	80.5	-143.6	0	0	111.8	Y382 Y383 R384	E380-Y382 VanDerWaalsContact C-N 3.34Å; E380-Y382 PolarHBondContact O-N 3.46Å; E380-Y383 WeakPolarHBondContact O-CB 3.39Å; E380-Y383 PolarHBondContact O-N 3.07Å; E380-Y383 VanDerWaalsContact O-N 3.11Å; E380-R384 PolarHBondContact O-N 3.34Å; E380-R384 IonicContact OE1-CZ 2.76Å; E380-R384 IonicContact OE1-NE 3.99Å; E380-R384 PolarHBondContact OE1-NE 3.19Å; E380-R384 IonicContact OE1-NH2 3.42Å; E380-R384 PolarHBondContact OE1-NH2 3.03Å; E380-R384 WeakPolarHBondContact OE2-CD 3.29Å; E380-R384 IonicContact OE2-CZ 3.88Å; E380-R384 IonicContact OE2-NE 2.76Å; E380-R384 PolarHBondContact OE2-NE 3.29Å; E380-R384 IonicContact OE2-NH2 3.68Å
381	K	98.5	Very high	96.7	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.035	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-43.4	176.4	-178.2	178.6	177.5	-63.4	0	111.5	V59 D63 D111 A378 V379 Y383 R384 D385	V59-K381 HydrophobicContact CG1-CD 3.79Å; D63-K381 HydrophobicContact CB-CD 4.04Å; D63-K381 WeakPolarHBondContact OD1-CE 3.23Å; D111-K381 IonicContact OD1-NZ 3.19Å; D111-K381 PolarHBondContact OD1-NZ 2.68Å; A378-K381 WeakPolarHBondContact O-CB 3.5Å; A378-K381 PolarHBondContact O-N 3.49Å; V379-K381 PolarHBondContact O-N 2.94Å; K381-Y383 VanDerWaalsContact C-N 3.27Å; K381-Y383 PolarHBondContact O-N 2.93Å; K381-R384 PolarHBondContact O-N 3.38Å; K381-D385 IonicContact NZ-OD2 2.8Å; K381-D385 PolarHBondContact NZ-OD2 3.29Å; K381-D385 VanDerWaalsContact O-CB 3.28Å; K381-D385 WeakPolarHBondContact O-CB 3.02Å; K381-D385 PolarHBondContact O-N 3.22Å
382	Y	98.8	Very high	96.6	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-37.5	176.3	-65.2	-60.5	0	0	0	112	K109 L283 C287 R290 V379 E380 D385 C386	K109-Y382 PolarHBondContact O-OH 3.08Å; L283-Y382 HydrophobicContact CB-CD1 4.47Å; L283-Y382 HydrophobicContact CD1-CD1 3.94Å; L283-Y382 HydrophobicContact CD2-CD1 4.49Å; L283-Y382 HydrophobicContact CG-CD1 3.59Å; L283-Y382 HydrophobicContact CG-CE1 4.42Å; L283-Y382 HydrophobicContact CG-CG 4.22Å; C287-Y382 HydrophobicContact CB-CD2 3.52Å; C287-Y382 HydrophobicContact CB-CE2 4.08Å; C287-Y382 HydrophobicContact CB-CG 3.9Å; R290-Y382 PolarHBondContact NE-OH 3.24Å; R290-Y382 PolarHBondContact NH1-OH 3Å; R290-Y382 PolarHBondContact NH2-OH 2.87Å; V379-Y382 PolarHBondContact O-N 3.07Å; V379-Y382 VanDerWaalsContact O-N 3.16Å; E380-Y382 VanDerWaalsContact C-N 3.34Å; E380-Y382 PolarHBondContact O-N 3.46Å; Y382-D385 PolarHBondContact O-N 3.36Å; Y382-C386 WeakPolarHBondContact O-CB 3.39Å; Y382-C386 PolarHBondContact O-N 3.07Å
383	Y	98.7	Very high	96.5	Very high	115 Å²	115	55.8 Å²	55.8	45%	0.451	26%	0.258	S	S	.	.	H	α-helix	trans	-65.5	-42.7	175.4	177.7	-106.3	0	0	0	112.5	T361 V379 E380 K381 C386	T361-Y383 WeakPolarHBondContact OG1-CD2 3.4Å; V379-Y383 PolarHBondContact O-N 3.05Å; E380-Y383 WeakPolarHBondContact O-CB 3.39Å; E380-Y383 PolarHBondContact O-N 3.07Å; E380-Y383 VanDerWaalsContact O-N 3.11Å; K381-Y383 VanDerWaalsContact C-N 3.27Å; K381-Y383 PolarHBondContact O-N 2.93Å; Y383-C386 PolarHBondContact O-SG 3.49Å
384	R	98.6	Very high	96.5	Very high	33 Å²	33	48.6 Å²	48.6	13%	0.125	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-45.9	173.3	-71.8	-172.4	-69.6	107.3	-8.4	111.7	D63 L232 E380 K381	D63-R384 IonicContact OD1-CZ 2.65Å; D63-R384 IonicContact OD1-NH1 3.01Å; D63-R384 PolarHBondContact OD1-NH1 2.8Å; D63-R384 VanDerWaalsContact OD1-NH1 3.16Å; D63-R384 IonicContact OD1-NH2 3.84Å; D63-R384 IonicContact OD2-CZ 3.57Å; D63-R384 IonicContact OD2-NH1 2.8Å; D63-R384 IonicContact OD2-NH2 2.75Å; D63-R384 PolarHBondContact OD2-NH2 2.92Å; L232-R384 HydrophobicContact CD1-CG 4.14Å; L232-R384 HydrophobicContact CG-CB 4.38Å; L232-R384 WeakPolarHBondContact O-CD 3.28Å; L232-R384 PolarHBondContact O-NH1 3.16Å; E380-R384 PolarHBondContact O-N 3.34Å; E380-R384 IonicContact OE1-CZ 2.76Å; E380-R384 IonicContact OE1-NE 3.99Å; E380-R384 PolarHBondContact OE1-NE 3.19Å; E380-R384 IonicContact OE1-NH2 3.42Å; E380-R384 PolarHBondContact OE1-NH2 3.03Å; E380-R384 WeakPolarHBondContact OE2-CD 3.29Å; E380-R384 IonicContact OE2-CZ 3.88Å; E380-R384 IonicContact OE2-NE 2.76Å; E380-R384 PolarHBondContact OE2-NE 3.29Å; E380-R384 IonicContact OE2-NH2 3.68Å; K381-R384 PolarHBondContact O-N 3.38Å
385	D	98.9	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-40.4	-175.5	-72	1.5	0	0	0	112.2	A112 G233 I234 L283 K381 Y382 K387 I388	A112-D385 HydrophobicContact CB-CB 4.18Å; G233-D385 VanDerWaalsContact CA-OD1 3.25Å; G233-D385 WeakPolarHBondContact CA-OD1 3.47Å; I234-D385 HydrophobicContact CG2-CB 3.99Å; I234-D385 PolarHBondContact N-OD1 3.37Å; L283-D385 HydrophobicContact CD1-CB 3.54Å; K381-D385 IonicContact NZ-OD2 2.8Å; K381-D385 PolarHBondContact NZ-OD2 3.29Å; K381-D385 VanDerWaalsContact O-CB 3.28Å; K381-D385 WeakPolarHBondContact O-CB 3.02Å; K381-D385 PolarHBondContact O-N 3.22Å; Y382-D385 PolarHBondContact O-N 3.36Å; D385-K387 PolarHBondContact O-N 3.15Å; D385-K387 VanDerWaalsContact O-N 3.15Å; D385-I388 WeakPolarHBondContact O-CG2 3.31Å; D385-I388 PolarHBondContact O-N 2.9Å
386	C	98.7	Very high	96.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-24.5	-175.3	79.3	0	0	0	0	113.3	M280 L283 A357 T361 Y382 Y383 I388 G389	M280-C386 HydrophobicContact SD-CB 4.36Å; L283-C386 HydrophobicContact CD1-CB 4.39Å; L283-C386 HydrophobicContact CD2-CB 3.54Å; A357-C386 HydrophobicContact CB-CB 3.99Å; T361-C386 HydrophobicContact CG2-CB 4.45Å; T361-C386 PolarHBondContact OG1-SG 3.15Å; Y382-C386 WeakPolarHBondContact O-CB 3.39Å; Y382-C386 PolarHBondContact O-N 3.07Å; Y383-C386 PolarHBondContact O-SG 3.49Å; C386-I388 PolarHBondContact O-N 3.37Å; C386-I388 VanDerWaalsContact O-N 3.15Å; C386-G389 PolarHBondContact O-N 2.92Å
387	K	98.5	Very high	97.2	Very high	117 Å²	117	39.6 Å²	39.6	51%	0.509	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-61	-30.7	-172.8	-172.6	66.2	-146.3	173	0	112.3	L232 D385 G389 A390	L232-K387 HydrophobicContact CD2-CB 4.18Å; L232-K387 HydrophobicContact CD2-CG 4.23Å; D385-K387 PolarHBondContact O-N 3.15Å; D385-K387 VanDerWaalsContact O-N 3.15Å; K387-G389 PolarHBondContact O-N 2.71Å; K387-A390 PolarHBondContact O-N 2.92Å
388	I	98.4	Very high	97.6	Very high	43 Å²	43	37.5 Å²	37.5	22%	0.221	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-64.6	-26.6	178.2	-163.9	65.3	0	0	0	112.7	I234 D385 C386 A390 I391 Y392	I234-I388 HydrophobicContact CD1-CB 4.39Å; I234-I388 HydrophobicContact CD1-CG1 4.06Å; I234-I388 HydrophobicContact CD1-CG2 4.03Å; I234-I388 HydrophobicContact CG1-CG2 4.4Å; I234-I388 HydrophobicContact CG2-CG2 4.37Å; D385-I388 WeakPolarHBondContact O-CG2 3.31Å; D385-I388 PolarHBondContact O-N 2.9Å; C386-I388 PolarHBondContact O-N 3.37Å; C386-I388 VanDerWaalsContact O-N 3.15Å; I388-A390 PolarHBondContact O-N 2.95Å; I388-A390 VanDerWaalsContact O-N 3.11Å; I388-I391 HydrophobicContact CD1-CB 4.28Å; I388-I391 WeakPolarHBondContact O-CA 3.36Å; I388-I391 PolarHBondContact O-N 3.25Å; I388-Y392 HydrophobicContact CB-CE2 4.4Å; I388-Y392 HydrophobicContact CD1-CD2 4.28Å; I388-Y392 HydrophobicContact CD1-CG 4.44Å; I388-Y392 HydrophobicContact CG1-CD1 4.13Å; I388-Y392 HydrophobicContact CG1-CD2 3.48Å; I388-Y392 VanDerWaalsContact CG1-CD2 3.48Å; I388-Y392 HydrophobicContact CG1-CE1 4.21Å; I388-Y392 HydrophobicContact CG1-CE2 3.57Å; I388-Y392 HydrophobicContact CG1-CG 3.77Å; I388-Y392 HydrophobicContact CG2-CE1 3.98Å; I388-Y392 HydrophobicContact CG2-CE2 3.9Å; I388-Y392 VanDerWaalsContact O-CD1 3.28Å; I388-Y392 WeakPolarHBondContact O-CD1 3.41Å; I388-Y392 PolarHBondContact O-N 3.17Å; I388-Y392 VanDerWaalsContact O-N 3.16Å
389	G	98.5	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-58.8	-25.4	178.6	0	0	0	0	0	113.6	K350 S354 C386 K387 I391	K350-G389 WeakPolarHBondContact CE-O 3.24Å; K350-G389 PolarHBondContact NZ-O 3.4Å; S354-G389 VanDerWaalsContact CB-O 3.29Å; S354-G389 WeakPolarHBondContact CB-O 3.37Å; C386-G389 PolarHBondContact O-N 2.92Å; K387-G389 PolarHBondContact O-N 2.71Å; G389-I391 VanDerWaalsContact C-N 3.31Å
390	A	98.2	Very high	98.1	Very high	23 Å²	23	40.2 Å²	40.2	19%	0.19	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-82.2	-6	175.1	0	0	0	0	0	113.8	K387 I388 T395 S396	K387-A390 PolarHBondContact O-N 2.92Å; I388-A390 PolarHBondContact O-N 2.95Å; I388-A390 VanDerWaalsContact O-N 3.11Å; A390-T395 VanDerWaalsContact O-CA 3.29Å; A390-T395 WeakPolarHBondContact O-CA 3.15Å; A390-S396 PolarHBondContact O-N 3.1Å; A390-S396 VanDerWaalsContact O-N 3.1Å
391	I	98	Very high	98.1	Very high	93 Å²	93	43.7 Å²	43.7	48%	0.477	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-64.6	-167.3	-59.6	171.6	0	0	0	111.8	I388 G389 G394 T395	I388-I391 HydrophobicContact CD1-CB 4.28Å; I388-I391 WeakPolarHBondContact O-CA 3.36Å; I388-I391 PolarHBondContact O-N 3.25Å; G389-I391 VanDerWaalsContact C-N 3.31Å; I391-G394 CarbonylContact O-C 3.52Å; I391-T395 WeakPolarHBondContact O-CA 3.31Å; I391-T395 PolarHBondContact O-N 3.17Å
392	Y	96	Very high	98.1	Very high	36 Å²	36	44.6 Å²	44.6	14%	0.141	23%	0.228	C	C	.	.	S	Bend	trans	-76	163.5	-172.5	64.4	5.3	0	0	0	113.1	I116 I234 I276 Q279 K350 I388 G394	I116-Y392 HydrophobicContact CD1-CE2 3.81Å; I116-Y392 HydrophobicContact CG1-CE2 4.03Å; I234-Y392 HydrophobicContact CD1-CE2 4.12Å; I276-Y392 HydrophobicContact CB-CE1 4.48Å; I276-Y392 HydrophobicContact CD1-CD1 4.11Å; I276-Y392 HydrophobicContact CD1-CE1 3.49Å; I276-Y392 VanDerWaalsContact CD1-CE1 3.49Å; I276-Y392 HydrophobicContact CD1-CE2 4.38Å; I276-Y392 HydrophobicContact CG1-CD1 4.43Å; I276-Y392 HydrophobicContact CG1-CE1 4.07Å; I276-Y392 HydrophobicContact CG2-CD1 4.25Å; I276-Y392 HydrophobicContact CG2-CE1 3.61Å; Q279-Y392 PolarHBondContact NE2-OH 2.93Å; Q279-Y392 VanDerWaalsContact NE2-OH 3.09Å; Q279-Y392 PolarHBondContact OE1-OH 3.43Å; K350-Y392 VanDerWaalsContact CE-O 3.27Å; K350-Y392 WeakPolarHBondContact CE-O 3.35Å; K350-Y392 PolarHBondContact NZ-O 3.27Å; I388-Y392 HydrophobicContact CB-CE2 4.4Å; I388-Y392 HydrophobicContact CD1-CD2 4.28Å; I388-Y392 HydrophobicContact CD1-CG 4.44Å; I388-Y392 HydrophobicContact CG1-CD1 4.13Å; I388-Y392 HydrophobicContact CG1-CD2 3.48Å; I388-Y392 VanDerWaalsContact CG1-CD2 3.48Å; I388-Y392 HydrophobicContact CG1-CE1 4.21Å; I388-Y392 HydrophobicContact CG1-CE2 3.57Å; I388-Y392 HydrophobicContact CG1-CG 3.77Å; I388-Y392 HydrophobicContact CG2-CE1 3.98Å; I388-Y392 HydrophobicContact CG2-CE2 3.9Å; I388-Y392 VanDerWaalsContact O-CD1 3.28Å; I388-Y392 WeakPolarHBondContact O-CD1 3.41Å; I388-Y392 PolarHBondContact O-N 3.17Å; I388-Y392 VanDerWaalsContact O-N 3.16Å; Y392-G394 PolarHBondContact O-N 3.02Å
393	E	94.9	Very high	98.1	Very high	26 Å²	26	45.4 Å²	45.4	12%	0.121	23%	0.232	C	C	.	.	S	Bend	trans	52.2	35	-171.2	-63.5	-144	-151.1	0	0	113.7	L269 G272 R273 I276 Q399	L269-E393 HydrophobicContact CD2-CB 4.41Å; L269-E393 HydrophobicContact CD2-CG 4.09Å; L269-E393 WeakPolarHBondContact CD2-OE2 3.43Å; G272-E393 WeakPolarHBondContact CA-OE2 3.39Å; R273-E393 PolarHBondContact N-OE2 2.95Å; I276-E393 HydrophobicContact CD1-CG 4.34Å; I276-E393 HydrophobicContact CG1-CB 4.02Å; I276-E393 HydrophobicContact CG1-CG 3.94Å; E393-Q399 PolarHBondContact O-NE2 2.8Å
394	G	95.7	Very high	98.1	Very high	20 Å²	20	42.6 Å²	42.6	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	94.5	121.8	-177.5	0	0	0	0	0	111.8	K350 I391 Y392 Q399	K350-G394 PolarHBondContact NZ-O 3.35Å; I391-G394 CarbonylContact O-C 3.52Å; Y392-G394 PolarHBondContact O-N 3.02Å; G394-Q399 PolarHBondContact O-NE2 3.08Å
395	T	98.2	Very high	98	Very high	37 Å²	37	46.9 Å²	46.9	23%	0.227	25%	0.253	C	S	.	.			trans	-58	162.9	176.3	65.3	0	0	0	0	111.7	A390 I391 N397 I398 Q399	A390-T395 VanDerWaalsContact O-CA 3.29Å; A390-T395 WeakPolarHBondContact O-CA 3.15Å; I391-T395 WeakPolarHBondContact O-CA 3.31Å; I391-T395 PolarHBondContact O-N 3.17Å; T395-N397 PolarHBondContact O-N 3.37Å; T395-N397 VanDerWaalsContact O-N 3.1Å; T395-I398 WeakPolarHBondContact O-CA 3.4Å; T395-I398 PolarHBondContact O-N 3.48Å; T395-I398 PolarHBondContact OG1-N 2.9Å; T395-Q399 PolarHBondContact O-N 2.92Å
396	S	98.6	Very high	98	Very high	25 Å²	25	48.9 Å²	48.9	18%	0.175	26%	0.262	C	S	.	.	H	α-helix	trans	-50.2	-37.5	174.5	-58.3	0	0	0	0	112.9	A390 Q399 M400	A390-S396 PolarHBondContact O-N 3.1Å; A390-S396 VanDerWaalsContact O-N 3.1Å; S396-Q399 PolarHBondContact O-N 2.87Å; S396-M400 WeakPolarHBondContact O-CG 3.44Å; S396-M400 PolarHBondContact O-N 3.33Å
397	N	98.6	Very high	98	Very high	105 Å²	105	52 Å²	52	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-64.7	-39.3	175.9	-67.1	-20	0	0	0	112.6	T395 M400 N401	T395-N397 PolarHBondContact O-N 3.37Å; T395-N397 VanDerWaalsContact O-N 3.1Å; N397-M400 PolarHBondContact O-N 3.25Å; N397-M400 WeakPolarHBondContact OD1-CE 3.4Å; N397-N401 VanDerWaalsContact O-CG 3.26Å; N397-N401 PolarHBondContact O-N 2.85Å; N397-N401 PolarHBondContact O-OD1 3.46Å
398	I	98.1	Very high	98	Very high	42 Å²	42	52.4 Å²	52.4	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-35.2	176.7	-64.3	-61.9	0	0	0	111.7	T395 N401 T402	T395-I398 WeakPolarHBondContact O-CA 3.4Å; T395-I398 PolarHBondContact O-N 3.48Å; T395-I398 PolarHBondContact OG1-N 2.9Å; I398-N401 PolarHBondContact O-N 2.73Å; I398-T402 WeakPolarHBondContact O-CB 3.38Å; I398-T402 PolarHBondContact O-N 2.8Å; I398-T402 PolarHBondContact O-OG1 3.34Å
399	Q	98.6	Very high	97.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-45.8	172.3	-53.9	-47.7	-41.9	0	0	111.1	R273 A347 K350 L351 E393 G394 T395 S396 N401 T402 I403	R273-Q399 VanDerWaalsContact CD-OE1 3.29Å; R273-Q399 VanDerWaalsContact NE-OE1 3.17Å; A347-Q399 HydrophobicContact CB-CB 4.49Å; K350-Q399 HydrophobicContact CD-CG 3.92Å; L351-Q399 HydrophobicContact CB-CB 4.06Å; E393-Q399 PolarHBondContact O-NE2 2.8Å; G394-Q399 PolarHBondContact O-NE2 3.08Å; T395-Q399 PolarHBondContact O-N 2.92Å; S396-Q399 PolarHBondContact O-N 2.87Å; Q399-N401 VanDerWaalsContact C-N 3.34Å; Q399-N401 PolarHBondContact O-N 2.84Å; Q399-T402 WeakPolarHBondContact O-CB 2.99Å; Q399-T402 PolarHBondContact O-N 3.26Å; Q399-T402 VanDerWaalsContact O-N 3.11Å; Q399-I403 VanDerWaalsContact O-CG1 3.25Å; Q399-I403 WeakPolarHBondContact O-CG1 3.43Å; Q399-I403 PolarHBondContact O-N 3.48Å
400	M	98.8	Very high	97.8	Very high	85 Å²	85	60.5 Å²	60.5	42%	0.419	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-42.3	176.7	-71	-173.8	-66	0	0	112.1	L351 S396 N397 T402 I403 A404	L351-M400 HydrophobicContact CD1-CG 4.49Å; L351-M400 HydrophobicContact CD2-CG 3.71Å; S396-M400 WeakPolarHBondContact O-CG 3.44Å; S396-M400 PolarHBondContact O-N 3.33Å; N397-M400 PolarHBondContact O-N 3.25Å; N397-M400 WeakPolarHBondContact OD1-CE 3.4Å; M400-T402 VanDerWaalsContact C-N 3.33Å; M400-T402 PolarHBondContact O-N 3.27Å; M400-I403 PolarHBondContact O-N 2.71Å; M400-A404 VanDerWaalsContact O-CB 3.3Å; M400-A404 WeakPolarHBondContact O-CB 3.34Å; M400-A404 PolarHBondContact O-N 3.34Å
401	N	98.6	Very high	97.7	Very high	104 Å²	104	68.8 Å²	68.8	56%	0.556	34%	0.344	S	S	*	.	H	α-helix	trans	-61.4	-41.3	173.5	-71.2	-9.3	0	0	0	112	N397 I398 Q399 K405	N397-N401 VanDerWaalsContact O-CG 3.26Å; N397-N401 PolarHBondContact O-N 2.85Å; N397-N401 PolarHBondContact O-OD1 3.46Å; I398-N401 PolarHBondContact O-N 2.73Å; Q399-N401 VanDerWaalsContact C-N 3.34Å; Q399-N401 PolarHBondContact O-N 2.84Å; N401-K405 WeakPolarHBondContact O-CB 3.45Å; N401-K405 PolarHBondContact O-N 3.41Å
402	T	98	Very high	97.2	Very high	26 Å²	26	72.8 Å²	72.8	16%	0.16	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-47	177.2	-58.8	0	0	0	0	110.8	V343 A347 I398 Q399 M400 K405 Q406	V343-T402 HydrophobicContact CG1-CG2 3.92Å; A347-T402 HydrophobicContact CB-CG2 4.1Å; I398-T402 WeakPolarHBondContact O-CB 3.38Å; I398-T402 PolarHBondContact O-N 2.8Å; I398-T402 PolarHBondContact O-OG1 3.34Å; Q399-T402 WeakPolarHBondContact O-CB 2.99Å; Q399-T402 PolarHBondContact O-N 3.26Å; Q399-T402 VanDerWaalsContact O-N 3.11Å; M400-T402 VanDerWaalsContact C-N 3.33Å; M400-T402 PolarHBondContact O-N 3.27Å; T402-K405 PolarHBondContact O-N 3.47Å; T402-Q406 WeakPolarHBondContact O-CG 3.37Å; T402-Q406 PolarHBondContact O-N 3.37Å; T402-Q406 VanDerWaalsContact O-N 3.09Å
403	I	98.8	Very high	97.3	Very high	20 Å²	20	74.7 Å²	74.7	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-60.8	-50.7	178.2	-67	161.9	0	0	0	110.2	A347 M348 L351 Q399 M400 K405 Q406 I407	A347-I403 HydrophobicContact CB-CD1 4.22Å; A347-I403 HydrophobicContact CB-CG1 3.7Å; M348-I403 HydrophobicContact CB-CD1 4.45Å; M348-I403 HydrophobicContact CE-CG2 3.77Å; M348-I403 HydrophobicContact CG-CD1 3.78Å; M348-I403 HydrophobicContact CG-CG1 3.96Å; M348-I403 HydrophobicContact CG-CG2 4.43Å; L351-I403 HydrophobicContact CD2-CD1 3.85Å; Q399-I403 VanDerWaalsContact O-CG1 3.25Å; Q399-I403 WeakPolarHBondContact O-CG1 3.43Å; Q399-I403 PolarHBondContact O-N 3.48Å; M400-I403 PolarHBondContact O-N 2.71Å; I403-K405 VanDerWaalsContact C-N 3.3Å; I403-K405 PolarHBondContact O-N 2.94Å; I403-Q406 PolarHBondContact O-N 3.41Å; I403-Q406 VanDerWaalsContact O-N 3.08Å; I403-I407 HydrophobicContact CG2-CD1 3.72Å; I403-I407 HydrophobicContact CG2-CG1 4.39Å; I403-I407 WeakPolarHBondContact O-CG1 3.27Å; I403-I407 PolarHBondContact O-N 3.46Å
404	A	98.7	Very high	97.4	Very high	57 Å²	57	77.2 Å²	77.2	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-42.9	179.6	0	0	0	0	0	111.9	M400 Q406 I407 E408	M400-A404 VanDerWaalsContact O-CB 3.3Å; M400-A404 WeakPolarHBondContact O-CB 3.34Å; M400-A404 PolarHBondContact O-N 3.34Å; A404-Q406 VanDerWaalsContact C-N 3.35Å; A404-Q406 PolarHBondContact O-N 3.43Å; A404-I407 PolarHBondContact O-N 2.75Å; A404-E408 WeakPolarHBondContact O-CB 3.27Å; A404-E408 PolarHBondContact O-N 3.1Å
405	K	98.3	Very high	97.5	Very high	122 Å²	122	80.4 Å²	80.4	53%	0.53	40%	0.402	S	S	.	.	H	α-helix	trans	-65.5	-33.2	176.8	-176.8	174.6	-177.7	174.6	0	113.5	N401 T402 I403 K409	N401-K405 WeakPolarHBondContact O-CB 3.45Å; N401-K405 PolarHBondContact O-N 3.41Å; T402-K405 PolarHBondContact O-N 3.47Å; I403-K405 VanDerWaalsContact C-N 3.3Å; I403-K405 PolarHBondContact O-N 2.94Å; K405-K409 WeakPolarHBondContact O-CG 3.47Å; K405-K409 PolarHBondContact O-N 3.28Å
406	Q	98.2	Very high	97.4	Very high	43 Å²	43	82.9 Å²	82.9	20%	0.201	41%	0.412	C	S	.	.	H	α-helix	trans	-74.6	-38.9	175.1	-62.9	-59	-25.9	0	0	111.1	V343 K344 T402 I403 A404 K409 E410	V343-Q406 HydrophobicContact CG1-CG 4.37Å; K344-Q406 HydrophobicContact CB-CB 3.8Å; K344-Q406 HydrophobicContact CB-CG 3.99Å; K344-Q406 HydrophobicContact CD-CB 4.09Å; K344-Q406 HydrophobicContact CG-CB 4.02Å; T402-Q406 WeakPolarHBondContact O-CG 3.37Å; T402-Q406 PolarHBondContact O-N 3.37Å; T402-Q406 VanDerWaalsContact O-N 3.09Å; I403-Q406 PolarHBondContact O-N 3.41Å; I403-Q406 VanDerWaalsContact O-N 3.08Å; A404-Q406 VanDerWaalsContact C-N 3.35Å; A404-Q406 PolarHBondContact O-N 3.43Å; Q406-K409 PolarHBondContact O-N 2.9Å; Q406-E410 WeakPolarHBondContact O-CG 3.22Å; Q406-E410 PolarHBondContact O-N 3.08Å
407	I	98.5	Very high	97.4	Very high	69 Å²	69	86.6 Å²	86.6	35%	0.354	43%	0.427	S	S	.	.	H	α-helix	trans	-60	-48.3	173.5	-67.6	169.3	0	0	0	109.8	K344 I403 A404 K409 E410 Y411	K344-I407 HydrophobicContact CD-CG1 4.21Å; I403-I407 HydrophobicContact CG2-CD1 3.72Å; I403-I407 HydrophobicContact CG2-CG1 4.39Å; I403-I407 WeakPolarHBondContact O-CG1 3.27Å; I403-I407 PolarHBondContact O-N 3.46Å; A404-I407 PolarHBondContact O-N 2.75Å; I407-K409 VanDerWaalsContact C-N 3.28Å; I407-K409 PolarHBondContact O-N 3.33Å; I407-E410 WeakPolarHBondContact O-CB 3.42Å; I407-E410 PolarHBondContact O-N 2.8Å; I407-Y411 HydrophobicContact CG2-CD2 4.04Å; I407-Y411 HydrophobicContact CG2-CE2 3.98Å; I407-Y411 VanDerWaalsContact O-CD2 3.31Å; I407-Y411 WeakPolarHBondContact O-CD2 3.44Å; I407-Y411 PolarHBondContact O-N 3.2Å
408	E	98.2	Very high	97.3	Very high	124 Å²	124	85.3 Å²	85.3	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-49.7	-48.9	177.7	-174.8	174.3	-135.1	0	0	112	A404 E410 Y411 D412	A404-E408 WeakPolarHBondContact O-CB 3.27Å; A404-E408 PolarHBondContact O-N 3.1Å; E408-E410 VanDerWaalsContact C-N 3.26Å; E408-E410 PolarHBondContact O-N 2.9Å; E408-Y411 PolarHBondContact O-N 3.15Å; E408-Y411 VanDerWaalsContact O-N 3.12Å; E408-D412 PolarHBondContact O-N 2.92Å
409	K	96.8	Very high	97.2	Very high	110 Å²	110	88.4 Å²	88.4	48%	0.478	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-22.1	177.8	-66.9	173.5	-179.8	-177.5	0	115.6	K405 Q406 I407 Y411	K405-K409 WeakPolarHBondContact O-CG 3.47Å; K405-K409 PolarHBondContact O-N 3.28Å; Q406-K409 PolarHBondContact O-N 2.9Å; I407-K409 VanDerWaalsContact C-N 3.28Å; I407-K409 PolarHBondContact O-N 3.33Å; K409-Y411 VanDerWaalsContact C-N 3.28Å
410	E	95.8	Very high	97.1	Very high	104 Å²	104	95.2 Å²	95.2	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-80.1	-16.1	178.6	-73.1	165.2	-165.7	0	0	112.1	K344 Q406 I407 E408	K344-E410 WeakPolarHBondContact CE-OE1 3.28Å; K344-E410 IonicContact NZ-OE1 2.82Å; K344-E410 PolarHBondContact NZ-OE1 3.39Å; K344-E410 IonicContact NZ-OE2 3.77Å; K344-E410 PolarHBondContact NZ-OE2 3.43Å; Q406-E410 WeakPolarHBondContact O-CG 3.22Å; Q406-E410 PolarHBondContact O-N 3.08Å; I407-E410 WeakPolarHBondContact O-CB 3.42Å; I407-E410 PolarHBondContact O-N 2.8Å; E408-E410 VanDerWaalsContact C-N 3.26Å; E408-E410 PolarHBondContact O-N 2.9Å
411	Y	96.1	Very high	97	Very high	196 Å²	196	96.1 Å²	96.1	77%	0.769	47%	0.47	S	S	*	.	H	α-helix	trans	-113.8	0.1	-179.6	-70.1	-91	0	0	0	113.3	I407 E408 K409	I407-Y411 HydrophobicContact CG2-CD2 4.04Å; I407-Y411 HydrophobicContact CG2-CE2 3.98Å; I407-Y411 VanDerWaalsContact O-CD2 3.31Å; I407-Y411 WeakPolarHBondContact O-CD2 3.44Å; I407-Y411 PolarHBondContact O-N 3.2Å; E408-Y411 PolarHBondContact O-N 3.15Å; E408-Y411 VanDerWaalsContact O-N 3.12Å; K409-Y411 VanDerWaalsContact C-N 3.28Å
412	D	87.7	Confident	96.8	Very high	178 Å²	178	95.4 Å²	95.4	95%	0.952	46%	0.462	S	S	*	.			trans	-80.5	0	163.9	-71.8	-27.5	0	0	0	110.5	E408	E408-D412 PolarHBondContact O-N 2.92Å

Retrieved 412 of 412 residues in 467.1 ms (Link to these results)

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