G4VDM2_SCHMA Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession G4VDM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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	37.2	Very low	35.7	Very low	227 Å²	227	150.7 Å²	150.7	100%	1.118	81%	0.808	S	S	*	*				0	104.6	0	-77.3	173.3	165.1	0	0	107.3
2	I	35.6	Very low	36.1	Very low	147 Å²	147	152.6 Å²	152.6	75%	0.754	82%	0.816	S	S	*	*				77.7	119.1	107.6	-65.6	166.9	0	0	0	109.8
3	T	35.1	Very low	35.9	Very low	125 Å²	125	157.5 Å²	157.5	77%	0.767	82%	0.816	S	S	*	*			cis	-172.1	149.5	9.1	18.4	0	0	0	0	110.1
4	K	33.3	Very low	36	Very low	177 Å²	177	157.4 Å²	157.4	77%	0.77	82%	0.818	S	S	*	*			trans	-18.5	149.5	154.5	-68.7	170.4	170.6	177.9	0	120.2	L6	K4-L6 HydrophobicContact CD-CD1 4.42Å
5	K	38.5	Very low	35.8	Very low	204 Å²	204	157.1 Å²	157.1	89%	0.887	82%	0.818	S	S	*	*				-174.5	113.1	119.6	-98.4	173.1	-179.5	-177.3	0	108.8
6	L	35.8	Very low	35.9	Very low	118 Å²	118	154.1 Å²	154.1	62%	0.618	82%	0.815	S	S	*	*				75.3	111.6	61.5	-82.9	157	0	0	0	116.4	K4	K4-L6 HydrophobicContact CD-CD1 4.42Å
7	H	36.2	Very low	35.8	Very low	164 Å²	164	156.8 Å²	156.8	76%	0.759	82%	0.818	S	S	*	*			trans	60.9	137.1	147.6	-63.4	-38.7	0	0	0	119.2
8	T	38.3	Very low	36	Very low	139 Å²	139	157.5 Å²	157.5	85%	0.853	82%	0.823	S	S	*	*				-158	154.5	61.8	36.4	0	0	0	0	114.2
9	S	32.1	Very low	35.8	Very low	108 Å²	108	162.7 Å²	162.7	76%	0.755	83%	0.83	S	S	*	*			trans	-90.3	149.3	-179.9	48.1	0	0	0	0	113.8
10	T	37.7	Very low	35.8	Very low	151 Å²	151	158.4 Å²	158.4	93%	0.926	83%	0.828	S	S	*	*			trans	-152.9	133.7	138.4	29.8	0	0	0	0	111.5
11	S	33.3	Very low	35.8	Very low	98 Å²	98	156.1 Å²	156.1	69%	0.685	82%	0.824	S	S	*	*			trans	-76.1	152.4	-177.2	140.8	0	0	0	0	112.3
12	L	39.9	Very low	35.6	Very low	173 Å²	173	157.5 Å²	157.5	91%	0.906	82%	0.817	S	S	*	*				-167	140.6	127.7	-95.9	157.3	0	0	0	110.8
13	R	33.4	Very low	35.7	Very low	216 Å²	216	159.3 Å²	159.3	82%	0.815	82%	0.82	S	S	*	*			trans	-77.8	147.9	-166.4	-62.8	164.5	168.4	176.9	-5.8	113
14	N	38.1	Very low	36	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	81%	0.808	S	S	*	*				177.2	137.9	109.2	-92.1	-10.8	0	0	0	112.7
15	D	32.5	Very low	36.6	Very low	154 Å²	154	158.9 Å²	158.9	82%	0.824	81%	0.811	S	S	*	*			trans	-53.7	145.5	176.2	-74.2	-57.6	0	0	0	114.6
16	S	37.5	Very low	37.2	Very low	109 Å²	109	152.8 Å²	152.8	76%	0.762	79%	0.794	S	S	*	*				167.9	119.8	119.2	-71.4	0	0	0	0	112.7
17	K	35.2	Very low	37.7	Very low	199 Å²	199	152.5 Å²	152.5	87%	0.865	79%	0.793	S	S	*	*			trans	50.6	103.1	142.9	-64.4	175.4	176.9	175.3	0	119.4
18	D	38.9	Very low	38.2	Very low	170 Å²	170	147.2 Å²	147.2	91%	0.909	78%	0.778	S	S	*	*				-166.6	110.7	125.2	-110	-21.2	0	0	0	111.5
19	R	32.7	Very low	38.8	Very low	257 Å²	257	146.8 Å²	146.8	97%	0.97	77%	0.766	S	S	*	*			trans	-118.6	113.9	165.5	-72.7	-171.8	-166.2	179.7	5.2	106.9
20	G	34.9	Very low	39.7	Very low	76 Å²	76	145.1 Å²	145.1	78%	0.784	75%	0.753	S	S	*	*			trans	176.7	96.6	172.5	0	0	0	0	0	114.7
21	C	35.3	Very low	40.6	Very low	111 Å²	111	141.6 Å²	141.6	75%	0.75	73%	0.731	S	S	*	*			trans	47.3	90.4	159.5	-82.6	0	0	0	0	119.9	F23	C21-F23 PolarHBondContact O-N 2.87Å
22	R	33.8	Very low	41.5	Very low	255 Å²	255	138.2 Å²	138.2	96%	0.962	71%	0.705	S	S	*	*			trans	-79.3	83.2	146.9	-73.6	-179.2	179.8	172.9	-0.1	109
23	F	38.5	Very low	42.1	Very low	186 Å²	186	135.6 Å²	135.6	82%	0.816	69%	0.689	S	S	*	*			trans	-80.8	128.2	161.3	-109.3	-88.8	0	0	0	108.7	C21 R25	C21-F23 PolarHBondContact O-N 2.87Å; F23-R25 PolarHBondContact O-N 3.17Å
24	S	39.8	Very low	43.2	Very low	74 Å²	74	129.5 Å²	129.5	52%	0.517	67%	0.67	S	S	.	*			trans	-63	102.4	-169.6	-44.9	0	0	0	0	112.1	S26 N27	S24-S26 PolarHBondContact O-N 2.84Å; S24-N27 PolarHBondContact O-N 3.39Å; S24-N27 VanDerWaalsContact O-N 3.1Å
25	R	46.7	Very low	44	Very low	219 Å²	219	126.1 Å²	126.1	83%	0.826	65%	0.648	S	S	*	*	H	α-helix	trans	-45.5	-31	172.3	-91.8	178.1	160.4	162.2	-5.7	113.6	F23 Q29	F23-R25 PolarHBondContact O-N 3.17Å; R25-Q29 WeakPolarHBondContact O-CB 2.91Å; R25-Q29 PolarHBondContact O-N 3.23Å
26	S	51.8	Low	44.9	Very low	76 Å²	76	120.4 Å²	120.4	53%	0.531	62%	0.621	S	S	.	*	H	α-helix	trans	-65.3	-36.8	-178.8	55.8	0	0	0	0	114.3	S24 C30	S24-S26 PolarHBondContact O-N 2.84Å; S26-C30 WeakPolarHBondContact O-CB 3.4Å; S26-C30 PolarHBondContact O-N 3.01Å; S26-C30 VanDerWaalsContact O-N 3.13Å
27	N	45.2	Very low	45.5	Very low	112 Å²	112	119.7 Å²	119.7	60%	0.599	61%	0.605	S	S	*	*	H	α-helix	trans	-77	-45	-172	-79.3	17.5	0	0	0	111.7	S24 Q29 C30 T31	S24-N27 PolarHBondContact O-N 3.39Å; S24-N27 VanDerWaalsContact O-N 3.1Å; N27-Q29 VanDerWaalsContact C-N 3.3Å; N27-Q29 PolarHBondContact O-N 3.47Å; N27-C30 PolarHBondContact O-N 3.43Å; N27-T31 PolarHBondContact O-N 3.13Å; N27-T31 VanDerWaalsContact O-N 3.13Å; N27-T31 PolarHBondContact O-OG1 2.83Å
28	A	47.4	Very low	46.2	Very low	53 Å²	53	117.2 Å²	117.2	44%	0.438	59%	0.59	S	S	.	*	H	α-helix	trans	-59.8	-45	175.3	0	0	0	0	0	110.7	C30 T31 I32	A28-C30 VanDerWaalsContact C-N 3.29Å; A28-C30 PolarHBondContact O-N 3.06Å; A28-T31 PolarHBondContact O-N 3.14Å; A28-I32 VanDerWaalsContact C-CD1 3.49Å; A28-I32 HydrophobicContact CB-CD1 4.03Å; A28-I32 WeakPolarHBondContact O-CB 3.41Å; A28-I32 WeakPolarHBondContact O-CD1 3.4Å; A28-I32 VanDerWaalsContact O-CG1 3.24Å; A28-I32 WeakPolarHBondContact O-CG1 3.1Å; A28-I32 PolarHBondContact O-N 3.11Å
29	Q	50.4	Low	46.8	Very low	130 Å²	130	112.4 Å²	112.4	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-64.3	-33.7	-178.2	-154.5	151.6	-3.3	0	0	112.6	R25 N27 Q33	R25-Q29 WeakPolarHBondContact O-CB 2.91Å; R25-Q29 PolarHBondContact O-N 3.23Å; N27-Q29 VanDerWaalsContact C-N 3.3Å; N27-Q29 PolarHBondContact O-N 3.47Å; Q29-Q33 WeakPolarHBondContact O-CB 3.31Å; Q29-Q33 PolarHBondContact O-N 2.86Å
30	C	50.3	Low	47.7	Very low	72 Å²	72	102.5 Å²	102.5	49%	0.486	54%	0.537	S	S	.	.	H	α-helix	trans	-69.9	-45.5	174.6	-163.7	0	0	0	0	112.4	S26 N27 A28 I32 Q33 E34	S26-C30 WeakPolarHBondContact O-CB 3.4Å; S26-C30 PolarHBondContact O-N 3.01Å; S26-C30 VanDerWaalsContact O-N 3.13Å; N27-C30 PolarHBondContact O-N 3.43Å; A28-C30 VanDerWaalsContact C-N 3.29Å; A28-C30 PolarHBondContact O-N 3.06Å; C30-I32 PolarHBondContact O-N 3.35Å; C30-Q33 PolarHBondContact O-N 2.7Å; C30-E34 WeakPolarHBondContact O-CG 3.47Å; C30-E34 PolarHBondContact O-N 3.48Å; C30-E34 VanDerWaalsContact O-N 3.1Å
31	T	57.2	Low	48.2	Very low	77 Å²	77	105.8 Å²	105.8	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-34	177.3	-21.7	0	0	0	0	111.7	N27 A28 E35	N27-T31 PolarHBondContact O-N 3.13Å; N27-T31 VanDerWaalsContact O-N 3.13Å; N27-T31 PolarHBondContact O-OG1 2.83Å; A28-T31 PolarHBondContact O-N 3.14Å; T31-E35 WeakPolarHBondContact O-CG 3.18Å; T31-E35 PolarHBondContact O-N 2.79Å
32	I	51.6	Low	49.1	Very low	27 Å²	27	105.8 Å²	105.8	14%	0.138	53%	0.532	C	S	.	.	H	α-helix	trans	-79.3	-37	-177.7	-65	138.2	0	0	0	111.7	A28 C30 E34 E35 C36 L366	A28-I32 VanDerWaalsContact C-CD1 3.49Å; A28-I32 HydrophobicContact CB-CD1 4.03Å; A28-I32 WeakPolarHBondContact O-CB 3.41Å; A28-I32 WeakPolarHBondContact O-CD1 3.4Å; A28-I32 VanDerWaalsContact O-CG1 3.24Å; A28-I32 WeakPolarHBondContact O-CG1 3.1Å; A28-I32 PolarHBondContact O-N 3.11Å; C30-I32 PolarHBondContact O-N 3.35Å; I32-E34 VanDerWaalsContact C-N 3.25Å; I32-E34 PolarHBondContact O-N 3.4Å; I32-E35 PolarHBondContact O-N 3.17Å; I32-C36 VanDerWaalsContact O-CB 3.28Å; I32-C36 WeakPolarHBondContact O-CB 3.16Å; I32-C36 PolarHBondContact O-N 3.37Å; I32-L366 HydrophobicContact CB-CD2 3.64Å; I32-L366 HydrophobicContact CD1-CD2 3.11Å; I32-L366 HydrophobicContact CG1-CD2 3.59Å; I32-L366 HydrophobicContact CG2-CD2 3.32Å; I32-L366 HydrophobicContact CG2-CG 4.06Å
33	Q	54.1	Low	50.5	Low	119 Å²	119	95.8 Å²	95.8	56%	0.556	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-40.6	171.5	-173	161.4	-15	0	0	110.2	Q29 C30 E37	Q29-Q33 WeakPolarHBondContact O-CB 3.31Å; Q29-Q33 PolarHBondContact O-N 2.86Å; C30-Q33 PolarHBondContact O-N 2.7Å; Q33-E37 HydrophobicContact CG-CG 4.33Å; Q33-E37 VanDerWaalsContact CG-OE1 3.26Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.47Å; Q33-E37 PolarHBondContact NE2-OE1 2.8Å; Q33-E37 WeakPolarHBondContact O-CB 3.09Å; Q33-E37 WeakPolarHBondContact O-CG 3.43Å; Q33-E37 PolarHBondContact O-N 2.9Å
34	E	54.8	Low	51.6	Low	88 Å²	88	89.8 Å²	89.8	41%	0.411	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-37.9	172.1	-72.1	178.4	-175.1	0	0	113.5	C30 I32 R38	C30-E34 WeakPolarHBondContact O-CG 3.47Å; C30-E34 PolarHBondContact O-N 3.48Å; C30-E34 VanDerWaalsContact O-N 3.1Å; I32-E34 VanDerWaalsContact C-N 3.25Å; I32-E34 PolarHBondContact O-N 3.4Å; E34-R38 VanDerWaalsContact O-CB 3.23Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 VanDerWaalsContact O-CG 3.23Å; E34-R38 WeakPolarHBondContact O-CG 3.4Å; E34-R38 PolarHBondContact O-N 2.86Å
35	E	56.6	Low	52.6	Low	84 Å²	84	90.7 Å²	90.7	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-73.4	-43.2	176.7	-76.7	-133.7	147.4	0	0	112.7	T31 I32 E37 R38 V39	T31-E35 WeakPolarHBondContact O-CG 3.18Å; T31-E35 PolarHBondContact O-N 2.79Å; I32-E35 PolarHBondContact O-N 3.17Å; E35-E37 VanDerWaalsContact C-N 3.3Å; E35-E37 PolarHBondContact O-N 2.9Å; E35-R38 PolarHBondContact O-N 2.83Å; E35-V39 WeakPolarHBondContact O-CB 3.48Å; E35-V39 VanDerWaalsContact O-CG2 3.23Å; E35-V39 WeakPolarHBondContact O-CG2 3.41Å; E35-V39 PolarHBondContact O-N 3.29Å
36	C	50.3	Low	53.7	Low	35 Å²	35	81.4 Å²	81.4	24%	0.236	44%	0.444	C	S	.	.	H	α-helix	trans	-62.2	-39.6	172.5	-80.9	0	0	0	0	111	I32 S40	I32-C36 VanDerWaalsContact O-CB 3.28Å; I32-C36 WeakPolarHBondContact O-CB 3.16Å; I32-C36 PolarHBondContact O-N 3.37Å; C36-S40 VanDerWaalsContact O-CB 3.26Å; C36-S40 WeakPolarHBondContact O-CB 3.47Å; C36-S40 PolarHBondContact O-N 2.73Å; C36-S40 PolarHBondContact O-OG 3.14Å
37	E	49.3	Very low	54.3	Low	93 Å²	93	79.1 Å²	79.1	44%	0.435	43%	0.427	S	S	.	.	H	α-helix	trans	-67.6	-42.3	172.3	-75.4	173.6	-169.7	0	0	110.8	Q33 E35 V39 S40 L41	Q33-E37 HydrophobicContact CG-CG 4.33Å; Q33-E37 VanDerWaalsContact CG-OE1 3.26Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.47Å; Q33-E37 PolarHBondContact NE2-OE1 2.8Å; Q33-E37 WeakPolarHBondContact O-CB 3.09Å; Q33-E37 WeakPolarHBondContact O-CG 3.43Å; Q33-E37 PolarHBondContact O-N 2.9Å; E35-E37 VanDerWaalsContact C-N 3.3Å; E35-E37 PolarHBondContact O-N 2.9Å; E37-V39 PolarHBondContact O-N 2.81Å; E37-S40 CarbonylContact O-C 3.59Å; E37-S40 WeakPolarHBondContact O-CA 3.48Å; E37-S40 WeakPolarHBondContact O-CB 3.21Å; E37-S40 PolarHBondContact O-N 3.28Å; E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 WeakPolarHBondContact O-CG 3.33Å; E37-L41 PolarHBondContact O-N 2.87Å
38	R	51.1	Low	55.3	Low	147 Å²	147	76.9 Å²	76.9	56%	0.555	41%	0.411	S	S	*	.	H	α-helix	trans	-60.3	-47.8	174.2	-85.6	-178.3	-174.6	139.2	9.5	112	E34 E35 S40 L41 T42	E34-R38 VanDerWaalsContact O-CB 3.23Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 VanDerWaalsContact O-CG 3.23Å; E34-R38 WeakPolarHBondContact O-CG 3.4Å; E34-R38 PolarHBondContact O-N 2.86Å; E35-R38 PolarHBondContact O-N 2.83Å; R38-S40 PolarHBondContact O-N 3.26Å; R38-L41 PolarHBondContact O-N 3.44Å; R38-T42 PolarHBondContact O-N 3.15Å; R38-T42 VanDerWaalsContact O-N 3.15Å; R38-T42 PolarHBondContact O-OG1 2.83Å
39	V	51.2	Low	55.8	Low	70 Å²	70	78 Å²	78	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-23.7	174.1	172.5	0	0	0	0	111	E35 E37 R43	E35-V39 WeakPolarHBondContact O-CB 3.48Å; E35-V39 VanDerWaalsContact O-CG2 3.23Å; E35-V39 WeakPolarHBondContact O-CG2 3.41Å; E35-V39 PolarHBondContact O-N 3.29Å; E37-V39 PolarHBondContact O-N 2.81Å; V39-R43 WeakPolarHBondContact O-CG 3.49Å; V39-R43 PolarHBondContact O-NE 2.81Å; V39-R43 VanDerWaalsContact O-NE 3.08Å
40	S	52.2	Low	56.4	Low	49 Å²	49	76.6 Å²	76.6	34%	0.343	42%	0.415	S	S	.	.	H	α-helix	trans	-86.7	-33.5	174.4	-59.3	0	0	0	0	113.4	C36 E37 R38 R43	C36-S40 VanDerWaalsContact O-CB 3.26Å; C36-S40 WeakPolarHBondContact O-CB 3.47Å; C36-S40 PolarHBondContact O-N 2.73Å; C36-S40 PolarHBondContact O-OG 3.14Å; E37-S40 CarbonylContact O-C 3.59Å; E37-S40 WeakPolarHBondContact O-CA 3.48Å; E37-S40 WeakPolarHBondContact O-CB 3.21Å; E37-S40 PolarHBondContact O-N 3.28Å; R38-S40 PolarHBondContact O-N 3.26Å; S40-R43 WeakPolarHBondContact O-CB 3.39Å; S40-R43 WeakPolarHBondContact O-CG 3.5Å; S40-R43 PolarHBondContact O-N 2.86Å
41	L	44.6	Very low	57.4	Low	145 Å²	145	74.9 Å²	74.9	76%	0.759	40%	0.403	S	S	*	.	H	α-helix	trans	-77.4	-24.3	-177.2	-73.5	170.4	0	0	0	112.7	E37 R38	E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 WeakPolarHBondContact O-CG 3.33Å; E37-L41 PolarHBondContact O-N 2.87Å; R38-L41 PolarHBondContact O-N 3.44Å
42	T	55.1	Low	58.1	Low	110 Å²	110	80.3 Å²	80.3	68%	0.675	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	2.7	172.4	57.5	0	0	0	0	113	R38	R38-T42 PolarHBondContact O-N 3.15Å; R38-T42 VanDerWaalsContact O-N 3.15Å; R38-T42 PolarHBondContact O-OG1 2.83Å
43	R	62	Low	59.2	Low	46 Å²	46	79.8 Å²	79.8	17%	0.174	42%	0.42	C	S	.	.	S	Bend	trans	-76.1	135.3	-175.9	-64.8	-177.8	177.4	-157.5	-14.9	111.8	V39 S40 T45 D167 D195	V39-R43 WeakPolarHBondContact O-CG 3.49Å; V39-R43 PolarHBondContact O-NE 2.81Å; V39-R43 VanDerWaalsContact O-NE 3.08Å; S40-R43 WeakPolarHBondContact O-CB 3.39Å; S40-R43 WeakPolarHBondContact O-CG 3.5Å; S40-R43 PolarHBondContact O-N 2.86Å; R43-T45 PolarHBondContact O-N 2.91Å; R43-D167 IonicContact CZ-OD1 2.67Å; R43-D167 IonicContact CZ-OD2 3.69Å; R43-D167 IonicContact NH1-OD1 3.57Å; R43-D167 PolarHBondContact NH1-OD1 2.92Å; R43-D167 IonicContact NH1-OD2 2.66Å; R43-D167 PolarHBondContact NH1-OD2 3.17Å; R43-D167 IonicContact NH2-OD1 2.66Å; R43-D167 PolarHBondContact NH2-OD1 3.5Å; R43-D167 IonicContact NH2-OD2 3.25Å; R43-D195 WeakPolarHBondContact CA-OD2 3.26Å
44	T	62.3	Low	60.2	Low	59 Å²	59	77.8 Å²	77.8	36%	0.362	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-61.3	119.6	176.5	-52.1	0	0	0	0	108.3	R193 D195	T44-R193 PolarHBondContact O-NH1 2.99Å; T44-D195 WeakPolarHBondContact CB-OD2 3.15Å; T44-D195 PolarHBondContact N-OD2 2.8Å; T44-D195 PolarHBondContact OG1-OD2 3.38Å
45	T	60.9	Low	61.1	Low	93 Å²	93	76.9 Å²	76.9	57%	0.571	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-76.9	155.4	178.1	60.4	0	0	0	0	111.2	R43 S49 R193	R43-T45 PolarHBondContact O-N 2.91Å; T45-S49 VanDerWaalsContact CB-OG 3.25Å; T45-S49 WeakPolarHBondContact CB-OG 3.48Å; T45-S49 PolarHBondContact OG1-OG 3Å; T45-R193 PolarHBondContact O-NH1 2.8Å
46	S	68.8	Low	62.3	Low	24 Å²	24	77.6 Å²	77.6	17%	0.168	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-62.1	148.5	175.3	162.2	0	0	0	0	111.8	R48 S49 T121 E137	S46-R48 PolarHBondContact O-N 3.27Å; S46-R48 VanDerWaalsContact O-N 3.13Å; S46-R48 PolarHBondContact OG-N 3.13Å; S46-S49 VanDerWaalsContact O-CB 3.3Å; S46-S49 WeakPolarHBondContact O-CB 3.16Å; S46-S49 PolarHBondContact O-N 3.07Å; S46-S49 PolarHBondContact O-OG 3.46Å; S46-T121 VanDerWaalsContact CB-OG1 3.32Å; S46-T121 WeakPolarHBondContact CB-OG1 3.17Å; S46-T121 WeakPolarHBondContact OG-CB 3.38Å; S46-T121 WeakPolarHBondContact OG-CG2 3.3Å; S46-T121 PolarHBondContact OG-OG1 2.83Å; S46-E137 WeakPolarHBondContact CA-OE2 3.34Å
47	V	65	Low	64	Low	28 Å²	28	76.4 Å²	76.4	17%	0.17	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-54.1	-34.3	175.9	-177	0	0	0	0	112.1	S49 T50 V51 F53 C86 E137	V47-S49 PolarHBondContact O-N 2.9Å; V47-T50 PolarHBondContact O-N 2.87Å; V47-T50 PolarHBondContact O-OG1 3.09Å; V47-V51 PolarHBondContact O-N 2.88Å; V47-F53 HydrophobicContact CG1-CE2 3.87Å; V47-F53 HydrophobicContact CG1-CZ 4.06Å; V47-C86 HydrophobicContact CG1-CB 3.88Å; V47-E137 HydrophobicContact CB-CB 4.31Å; V47-E137 HydrophobicContact CG2-CB 3.76Å; V47-E137 PolarHBondContact N-OE2 3.35Å
48	R	64.9	Low	66	Low	66 Å²	66	75.4 Å²	75.4	25%	0.249	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-68.2	-14	177.1	-76.3	-178.7	104.9	-172.3	4.4	114.2	S46 V51 Q112 T121 I122 V123	S46-R48 PolarHBondContact O-N 3.27Å; S46-R48 VanDerWaalsContact O-N 3.13Å; S46-R48 PolarHBondContact OG-N 3.13Å; R48-V51 WeakPolarHBondContact CA-O 3.33Å; R48-Q112 PolarHBondContact NH1-O 3.21Å; R48-T121 HydrophobicContact CB-CG2 3.96Å; R48-T121 HydrophobicContact CG-CG2 3.58Å; R48-I122 PolarHBondContact NH1-O 3.22Å; R48-V123 HydrophobicContact CG-CG2 4.49Å
49	S	59.2	Low	67.9	Low	77 Å²	77	71.7 Å²	71.7	54%	0.538	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-73.1	-20.3	170.6	69.3	0	0	0	0	112.6	T45 S46 V47	T45-S49 VanDerWaalsContact CB-OG 3.25Å; T45-S49 WeakPolarHBondContact CB-OG 3.48Å; T45-S49 PolarHBondContact OG1-OG 3Å; S46-S49 VanDerWaalsContact O-CB 3.3Å; S46-S49 WeakPolarHBondContact O-CB 3.16Å; S46-S49 PolarHBondContact O-N 3.07Å; S46-S49 PolarHBondContact O-OG 3.46Å; V47-S49 PolarHBondContact O-N 2.9Å
50	T	62	Low	69.9	Low	99 Å²	99	75 Å²	75	61%	0.607	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-25.7	-175.5	59.8	0	0	0	0	113.7	V47	V47-T50 PolarHBondContact O-N 2.87Å; V47-T50 PolarHBondContact O-OG1 3.09Å
51	V	71.5	Confident	71.8	Confident	37 Å²	37	74.5 Å²	74.5	22%	0.224	41%	0.405	C	S	.	.			trans	-140.6	128.2	-174.5	-177.5	0	0	0	0	110.2	V47 R48 F53	V47-V51 PolarHBondContact O-N 2.88Å; R48-V51 WeakPolarHBondContact CA-O 3.33Å; V51-F53 HydrophobicContact CB-CD2 4.31Å; V51-F53 HydrophobicContact CB-CE2 3.62Å; V51-F53 HydrophobicContact CB-CZ 3.91Å; V51-F53 HydrophobicContact CG1-CD1 4.44Å; V51-F53 HydrophobicContact CG1-CD2 4.04Å; V51-F53 HydrophobicContact CG1-CE1 4.02Å; V51-F53 HydrophobicContact CG1-CE2 3.58Å; V51-F53 HydrophobicContact CG1-CG 4.46Å; V51-F53 HydrophobicContact CG1-CZ 3.57Å; V51-F53 WeakPolarHBondContact O-CD2 3.36Å
52	E	72.6	Confident	74.2	Confident	191 Å²	191	68.2 Å²	68.2	89%	0.893	37%	0.372	S	S	*	.			trans	-83.4	128.4	168.1	-67.7	-169.6	166.9	0	0	109.8
53	F	73.7	Confident	76.1	Confident	16 Å²	16	66.3 Å²	66.3	7%	0.07	36%	0.356	C	S	.	.			trans	-114	141.6	175.6	-63.4	-93.8	0	0	0	109.6	V47 V51 I57 H81 C86 L88 V123	V47-F53 HydrophobicContact CG1-CE2 3.87Å; V47-F53 HydrophobicContact CG1-CZ 4.06Å; V51-F53 HydrophobicContact CB-CD2 4.31Å; V51-F53 HydrophobicContact CB-CE2 3.62Å; V51-F53 HydrophobicContact CB-CZ 3.91Å; V51-F53 HydrophobicContact CG1-CD1 4.44Å; V51-F53 HydrophobicContact CG1-CD2 4.04Å; V51-F53 HydrophobicContact CG1-CE1 4.02Å; V51-F53 HydrophobicContact CG1-CE2 3.58Å; V51-F53 HydrophobicContact CG1-CG 4.46Å; V51-F53 HydrophobicContact CG1-CZ 3.57Å; V51-F53 WeakPolarHBondContact O-CD2 3.36Å; F53-I57 HydrophobicContact CB-CD1 4.47Å; F53-I57 HydrophobicContact CD1-CD1 4.25Å; F53-H81 HydrophobicContact CE1-CB 4.25Å; F53-H81 AromaticContact CE1-CE1 3.96Å; F53-H81 AromaticContact CE1-CG 3.88Å; F53-H81 AromaticContact CE1-ND1 3.51Å; F53-C86 HydrophobicContact CZ-CB 4.2Å; F53-L88 HydrophobicContact CE1-CD1 4.21Å; F53-V123 HydrophobicContact CB-CG1 3.53Å; F53-V123 HydrophobicContact CD1-CG1 3.85Å; F53-V123 HydrophobicContact CD2-CG1 3.4Å; F53-V123 HydrophobicContact CE1-CG1 4.37Å; F53-V123 HydrophobicContact CE2-CG1 3.97Å; F53-V123 HydrophobicContact CG-CG1 3.31Å; F53-V123 HydrophobicContact CZ-CG1 4.42Å
54	P	75.9	Confident	77.7	Confident	76 Å²	76	68.3 Å²	68.3	49%	0.494	37%	0.369	S	S	.	.			trans	-62.4	151.3	168.4	29	-34.3	0	0	0	110	N56	P54-N56 WeakPolarHBondContact CG-O 3.3Å; P54-N56 PolarHBondContact O-N 2.98Å
55	P	74.2	Confident	79.2	Confident	69 Å²	69	69.3 Å²	69.3	45%	0.448	37%	0.371	S	S	.	.	S	Bend	trans	-62.8	-30.2	-180	24.3	-33.1	0	0	0	112.5	G124 V125	P55-G124 CarbonylContact O-C 3.59Å; P55-G124 VanDerWaalsContact O-CA 3.3Å; P55-G124 WeakPolarHBondContact O-CA 3.35Å; P55-V125 PolarHBondContact O-N 2.95Å
56	N	81.9	Confident	80.8	Confident	100 Å²	100	66.3 Å²	66.3	54%	0.535	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-108.5	116.3	173.4	-60.2	-46.2	0	0	0	108.8	P54 V125	P54-N56 WeakPolarHBondContact CG-O 3.3Å; P54-N56 PolarHBondContact O-N 2.98Å; N56-V125 WeakPolarHBondContact CA-O 3.5Å; N56-V125 WeakPolarHBondContact OD1-CG2 3.48Å
57	I	86.6	Confident	81.8	Confident	10 Å²	10	70 Å²	70	5%	0.051	37%	0.374	C	S	.	.			trans	-98	134.1	175.2	-61.7	171.4	0	0	0	107.8	F53 L62 V123 V125 V126 I135	F53-I57 HydrophobicContact CB-CD1 4.47Å; F53-I57 HydrophobicContact CD1-CD1 4.25Å; I57-L62 HydrophobicContact CG2-CD1 4.19Å; I57-L62 HydrophobicContact CG2-CD2 3.99Å; I57-L62 HydrophobicContact CG2-CG 3.98Å; I57-V123 HydrophobicContact CD1-CG1 3.95Å; I57-V125 PolarHBondContact N-O 2.6Å; I57-V126 WeakPolarHBondContact O-CG2 3.31Å; I57-I135 HydrophobicContact CD1-CB 4.35Å; I57-I135 HydrophobicContact CD1-CG1 4.34Å; I57-I135 HydrophobicContact CD1-CG2 4.13Å
58	D	89.7	Confident	83	Confident	72 Å²	72	72.8 Å²	72.8	39%	0.385	39%	0.387	S	S	.	.			trans	-75.2	135.9	175	-165.8	-36.6	0	0	0	109.7	K60 D61	D58-K60 HydrophobicContact CB-CD 4.4Å; D58-K60 HydrophobicContact CB-CG 4.09Å; D58-K60 PolarHBondContact O-N 2.79Å; D58-K60 VanDerWaalsContact O-N 3.14Å; D58-K60 WeakPolarHBondContact OD1-CG 3.42Å; D58-K60 PolarHBondContact OD1-N 2.83Å; D58-K60 VanDerWaalsContact OD1-N 3.13Å; D58-K60 VanDerWaalsContact OD2-CD 3.31Å; D58-K60 WeakPolarHBondContact OD2-CD 3.31Å; D58-K60 WeakPolarHBondContact OD2-CE 3.45Å; D58-K60 IonicContact OD2-NZ 2.7Å; D58-K60 PolarHBondContact OD2-NZ 2.92Å; D58-D61 WeakPolarHBondContact O-CB 3.25Å; D58-D61 PolarHBondContact O-N 2.81Å
59	E	91.2	Very high	83.7	Confident	69 Å²	69	71.1 Å²	71.1	32%	0.322	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-55.8	-32.9	179	-175.6	177.3	-178.2	0	0	111.5	D61 L62 V126 R128	E59-D61 PolarHBondContact O-N 2.86Å; E59-L62 PolarHBondContact O-N 3Å; E59-V126 HydrophobicContact CB-CG2 3.9Å; E59-R128 WeakPolarHBondContact OE1-CD 3.19Å; E59-R128 WeakPolarHBondContact OE1-CG 3.3Å; E59-R128 IonicContact OE1-NE 3.84Å; E59-R128 PolarHBondContact OE1-NE 2.89Å; E59-R128 VanDerWaalsContact OE1-NE 3.17Å; E59-R128 WeakPolarHBondContact OE2-CA 3.46Å
60	K	92.9	Very high	84.5	Confident	140 Å²	140	71.7 Å²	71.7	61%	0.609	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-63.2	-26.1	179	78.6	-164.5	-179.5	-147.9	0	113.6	D58 L62 R82	D58-K60 HydrophobicContact CB-CD 4.4Å; D58-K60 HydrophobicContact CB-CG 4.09Å; D58-K60 PolarHBondContact O-N 2.79Å; D58-K60 VanDerWaalsContact O-N 3.14Å; D58-K60 WeakPolarHBondContact OD1-CG 3.42Å; D58-K60 PolarHBondContact OD1-N 2.83Å; D58-K60 VanDerWaalsContact OD1-N 3.13Å; D58-K60 VanDerWaalsContact OD2-CD 3.31Å; D58-K60 WeakPolarHBondContact OD2-CD 3.31Å; D58-K60 WeakPolarHBondContact OD2-CE 3.45Å; D58-K60 IonicContact OD2-NZ 2.7Å; D58-K60 PolarHBondContact OD2-NZ 2.92Å; K60-L62 PolarHBondContact O-N 3.18Å; K60-R82 WeakPolarHBondContact O-CD 3.38Å; K60-R82 PolarHBondContact O-NE 2.96Å; K60-R82 VanDerWaalsContact O-NE 3.17Å
61	D	93.3	Very high	84.6	Confident	38 Å²	38	69.4 Å²	69.4	20%	0.203	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-81.6	-3.7	179.9	-64.8	-39	0	0	0	111.9	D58 E59 H81 R82	D58-D61 WeakPolarHBondContact O-CB 3.25Å; D58-D61 PolarHBondContact O-N 2.81Å; E59-D61 PolarHBondContact O-N 2.86Å; D61-H81 PolarHBondContact O-CD2 3.4Å; D61-R82 WeakPolarHBondContact O-CG 3.17Å; D61-R82 PolarHBondContact O-N 2.89Å
62	L	94.2	Very high	83.9	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.063	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.2	178.7	-59	177.8	0	0	0	110.9	I57 E59 K60 V79 H81 L88 L90 V126 I135	I57-L62 HydrophobicContact CG2-CD1 4.19Å; I57-L62 HydrophobicContact CG2-CD2 3.99Å; I57-L62 HydrophobicContact CG2-CG 3.98Å; E59-L62 PolarHBondContact O-N 3Å; K60-L62 PolarHBondContact O-N 3.18Å; L62-V79 HydrophobicContact CB-CB 4.43Å; L62-V79 HydrophobicContact CD1-CG2 4.42Å; L62-V79 HydrophobicContact CD2-CG2 4.04Å; L62-H81 HydrophobicContact CD2-CB 4.35Å; L62-L88 HydrophobicContact CD2-CD1 4.43Å; L62-L90 HydrophobicContact CD1-CD1 4.41Å; L62-V126 HydrophobicContact CD1-CB 4.29Å; L62-V126 HydrophobicContact CD1-CG1 4.24Å; L62-V126 HydrophobicContact CD1-CG2 4.18Å; L62-I135 HydrophobicContact CD1-CD1 3.99Å
63	E	95.7	Very high	83.4	Confident	71 Å²	71	68.3 Å²	68.3	33%	0.332	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.9	168.5	-179.6	-174.2	172.4	0	0	109.1	L65 V79 K80 R82	E63-L65 HydrophobicContact CG-CD2 4.19Å; E63-L65 PolarHBondContact O-N 3.36Å; E63-V79 CarbonylContact O-C 3.44Å; E63-V79 WeakPolarHBondContact O-CA 3.46Å; E63-K80 HydrophobicContact CB-CB 4.28Å; E63-K80 PolarHBondContact N-O 2.67Å; E63-K80 PolarHBondContact O-N 3.41Å; E63-R82 HydrophobicContact CB-CG 4.47Å
64	I	94.8	Very high	83.3	Confident	88 Å²	88	68.2 Å²	68.2	45%	0.451	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.2	179.1	-62.5	173.6	0	0	0	109.5	I77 V79	I64-I77 HydrophobicContact CG2-CG2 3.7Å; I64-V79 HydrophobicContact CG1-CG1 4.36Å
65	L	95	Very high	83.6	Confident	79 Å²	79	69.4 Å²	69.4	41%	0.414	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-23.2	-179.1	-60.6	-176.2	0	0	0	113.7	E63 K78 K80 L87	E63-L65 HydrophobicContact CG-CD2 4.19Å; E63-L65 PolarHBondContact O-N 3.36Å; L65-K78 HydrophobicContact CB-CB 4.39Å; L65-K78 HydrophobicContact CB-CG 4.25Å; L65-K78 WeakPolarHBondContact CB-O 3.21Å; L65-K78 HydrophobicContact CD1-CD 4.38Å; L65-K78 HydrophobicContact CD1-CG 4.17Å; L65-K78 PolarHBondContact N-O 2.93Å; L65-K80 HydrophobicContact CD1-CB 3.95Å; L65-K80 HydrophobicContact CD2-CB 4.4Å; L65-K80 HydrophobicContact CG-CB 4.21Å; L65-L87 HydrophobicContact CD1-CD2 3.47Å; L65-L87 VanDerWaalsContact CD1-CD2 3.47Å
66	G	93	Very high	84.3	Confident	31 Å²	31	67.2 Å²	67.2	32%	0.32	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.6	163.1	176.9	0	0	0	0	0	113.6	K78	G66-K78 PolarHBondContact N-O 2.84Å; G66-K78 PolarHBondContact O-N 3.14Å
67	E	91.3	Very high	84.8	Confident	101 Å²	101	62.9 Å²	62.9	47%	0.472	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.7	173.3	-171.4	174.1	148.2	0	0	110.1	S70	E67-S70 VanDerWaalsContact OE1-CB 3.26Å; E67-S70 WeakPolarHBondContact OE1-CB 3.21Å; E67-S70 PolarHBondContact OE1-OG 2.89Å
68	I	88.8	Confident	85.3	Confident	86 Å²	86	64.6 Å²	64.6	44%	0.441	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-16.4	177.1	56.7	168.1	0	0	0	112.9	A76 K78 V89	I68-A76 HydrophobicContact CD1-CB 4Å; I68-A76 HydrophobicContact CG1-CB 3.66Å; I68-A76 WeakPolarHBondContact CG1-O 3.44Å; I68-A76 PolarHBondContact N-O 3.25Å; I68-K78 HydrophobicContact CG2-CB 3.65Å; I68-K78 HydrophobicContact CG2-CD 4.49Å; I68-V89 HydrophobicContact CD1-CB 4.42Å; I68-V89 HydrophobicContact CD1-CG1 3.83Å; I68-V89 HydrophobicContact CD1-CG2 3.66Å
69	G	80	Confident	85.5	Confident	31 Å²	31	61.1 Å²	61.1	32%	0.32	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177	157.9	174.8	0	0	0	0	0	112.2	A76	G69-A76 PolarHBondContact N-O 2.82Å; G69-A76 PolarHBondContact O-N 3.25Å
70	S	75.5	Confident	85.8	Confident	90 Å²	90	60.6 Å²	60.6	63%	0.629	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.9	173.3	33.5	0	0	0	0	109.4	E67	E67-S70 VanDerWaalsContact OE1-CB 3.26Å; E67-S70 WeakPolarHBondContact OE1-CB 3.21Å; E67-S70 PolarHBondContact OE1-OG 2.89Å
71	G	66	Low	85.8	Confident	51 Å²	51	54.5 Å²	54.5	53%	0.526	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-171.3	178.9	0	0	0	0	0	112	Y73 G74	G71-Y73 PolarHBondContact O-N 3.36Å; G71-Y73 VanDerWaalsContact O-N 3.13Å; G71-G74 PolarHBondContact N-O 3.23Å; G71-G74 PolarHBondContact O-N 3.22Å
72	S	56.5	Low	85.8	Confident	103 Å²	103	59 Å²	59	72%	0.72	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28	178.1	49.8	0	0	0	0	113.4
73	Y	60.9	Low	85.6	Confident	102 Å²	102	65.3 Å²	65.3	40%	0.4	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5	179.5	-60.1	-75.1	0	0	0	114.4	G71 E92	G71-Y73 PolarHBondContact O-N 3.36Å; G71-Y73 VanDerWaalsContact O-N 3.13Å; Y73-E92 VanDerWaalsContact O-O 3.11Å
74	G	71.9	Confident	85.4	Confident	13 Å²	13	63.6 Å²	63.6	13%	0.134	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.2	-162.4	-178.7	0	0	0	0	0	113.3	G71	G71-G74 PolarHBondContact N-O 3.23Å; G71-G74 PolarHBondContact O-N 3.22Å
75	R	83.1	Confident	85.2	Confident	102 Å²	102	64.1 Å²	64.1	39%	0.385	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.2	-179.4	-62.8	-177.1	-64.6	178.1	-0.6	110.7	I77 K91 E92	R75-I77 HydrophobicContact CB-CG1 4.46Å; R75-K91 WeakPolarHBondContact O-CA 3.49Å; R75-E92 IonicContact CZ-OE1 3.24Å; R75-E92 IonicContact CZ-OE2 2.73Å; R75-E92 VanDerWaalsContact CZ-OE2 3.24Å; R75-E92 IonicContact NE-OE1 2.79Å; R75-E92 IonicContact NE-OE2 3.71Å; R75-E92 PolarHBondContact NE-OE2 3.48Å; R75-E92 VanDerWaalsContact NH2-CD 3.29Å; R75-E92 IonicContact NH2-OE1 2.83Å; R75-E92 PolarHBondContact NH2-OE1 3.14Å; R75-E92 IonicContact NH2-OE2 3.85Å; R75-E92 PolarHBondContact NH2-OE2 3.5Å; R75-E92 PolarHBondContact O-N 2.78Å
76	A	88.3	Confident	85.1	Confident	23 Å²	23	61.3 Å²	61.3	19%	0.19	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	168.4	0	0	0	0	0	108.7	I68 G69 V89 L90	I68-A76 HydrophobicContact CD1-CB 4Å; I68-A76 HydrophobicContact CG1-CB 3.66Å; I68-A76 WeakPolarHBondContact CG1-O 3.44Å; I68-A76 PolarHBondContact N-O 3.25Å; G69-A76 PolarHBondContact N-O 2.82Å; G69-A76 PolarHBondContact O-N 3.25Å; A76-V89 HydrophobicContact CB-CG1 4.01Å; A76-L90 CarbonylContact C-O 3.59Å; A76-L90 WeakPolarHBondContact CA-O 3.36Å
77	I	93.1	Very high	85.1	Confident	8 Å²	8	63 Å²	63	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.9	-174.6	-57.9	175.8	0	0	0	108	I64 R75 V79 V89 L90 R128	I64-I77 HydrophobicContact CG2-CG2 3.7Å; R75-I77 HydrophobicContact CB-CG1 4.46Å; I77-V79 HydrophobicContact CG2-CG1 4.07Å; I77-V89 CarbonylContact O-C 3.59Å; I77-V89 WeakPolarHBondContact O-CA 3.25Å; I77-L90 HydrophobicContact CB-CB 4.41Å; I77-L90 HydrophobicContact CD1-CD2 4.36Å; I77-L90 PolarHBondContact N-O 2.84Å; I77-L90 PolarHBondContact O-N 3.2Å; I77-R128 VanDerWaalsContact CD1-NH1 3.28Å
78	K	95.4	Very high	85.3	Confident	46 Å²	46	58.2 Å²	58.2	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.8	171.8	-173.4	175.5	-175.4	170.7	0	108.9	L65 G66 I68 Y138	L65-K78 HydrophobicContact CB-CB 4.39Å; L65-K78 HydrophobicContact CB-CG 4.25Å; L65-K78 WeakPolarHBondContact CB-O 3.21Å; L65-K78 HydrophobicContact CD1-CD 4.38Å; L65-K78 HydrophobicContact CD1-CG 4.17Å; L65-K78 PolarHBondContact N-O 2.93Å; G66-K78 PolarHBondContact N-O 2.84Å; G66-K78 PolarHBondContact O-N 3.14Å; I68-K78 HydrophobicContact CG2-CB 3.65Å; I68-K78 HydrophobicContact CG2-CD 4.49Å; K78-Y138 HydrophobicContact CD-CD2 4.22Å; K78-Y138 HydrophobicContact CD-CE1 4.47Å; K78-Y138 HydrophobicContact CD-CE2 3.89Å; K78-Y138 HydrophobicContact CG-CD2 4.21Å; K78-Y138 HydrophobicContact CG-CE2 4.32Å; K78-Y138 VanDerWaalsContact NZ-CE1 3.33Å; K78-Y138 VanDerWaalsContact NZ-CZ 3.34Å; K78-Y138 PolarHBondContact NZ-OH 2.93Å
79	V	95.8	Very high	85.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.9	178.5	-55.6	0	0	0	0	110.2	L62 E63 I64 I77 L88 L90	L62-V79 HydrophobicContact CB-CB 4.43Å; L62-V79 HydrophobicContact CD1-CG2 4.42Å; L62-V79 HydrophobicContact CD2-CG2 4.04Å; E63-V79 CarbonylContact O-C 3.44Å; E63-V79 WeakPolarHBondContact O-CA 3.46Å; I64-V79 HydrophobicContact CG1-CG1 4.36Å; I77-V79 HydrophobicContact CG2-CG1 4.07Å; V79-L88 HydrophobicContact CG2-CB 3.77Å; V79-L88 PolarHBondContact N-O 3.16Å; V79-L88 PolarHBondContact O-N 3.38Å; V79-L90 HydrophobicContact CG1-CB 3.95Å; V79-L90 HydrophobicContact CG1-CD1 4.47Å; V79-L90 HydrophobicContact CG2-CB 4.47Å
80	K	95.5	Very high	86.1	Confident	58 Å²	58	53.4 Å²	53.4	25%	0.252	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.6	172.8	-177.2	-177.7	177.3	-164.6	0	108.9	E63 L65 R82 N85 C86 L87	E63-K80 HydrophobicContact CB-CB 4.28Å; E63-K80 PolarHBondContact N-O 2.67Å; E63-K80 PolarHBondContact O-N 3.41Å; L65-K80 HydrophobicContact CD1-CB 3.95Å; L65-K80 HydrophobicContact CD2-CB 4.4Å; L65-K80 HydrophobicContact CG-CB 4.21Å; K80-R82 PolarHBondContact O-N 2.75Å; K80-N85 WeakPolarHBondContact CE-OD1 3.46Å; K80-N85 PolarHBondContact NZ-OD1 3Å; K80-C86 WeakPolarHBondContact CA-O 3.42Å; K80-L87 HydrophobicContact CB-CD2 4.21Å; K80-L87 HydrophobicContact CG-CD2 4.41Å
81	H	94.1	Very high	86.6	Confident	11 Å²	11	50.6 Å²	50.6	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.6	173	-178.4	-121.5	0	0	0	109.4	F53 D61 L62 Q83 S84 N85 C86 L88	F53-H81 HydrophobicContact CE1-CB 4.25Å; F53-H81 AromaticContact CE1-CE1 3.96Å; F53-H81 AromaticContact CE1-CG 3.88Å; F53-H81 AromaticContact CE1-ND1 3.51Å; D61-H81 PolarHBondContact O-CD2 3.4Å; L62-H81 HydrophobicContact CD2-CB 4.35Å; H81-Q83 PolarHBondContact O-N 3Å; H81-S84 PolarHBondContact ND1-N 2.74Å; H81-S84 PolarHBondContact ND1-OG 2.64Å; H81-N85 WeakPolarHBondContact O-CA 3.31Å; H81-N85 PolarHBondContact O-N 3.48Å; H81-C86 PolarHBondContact N-O 3.24Å; H81-L88 HydrophobicContact CB-CD1 3.96Å
82	R	93.3	Very high	87.2	Confident	134 Å²	134	48.8 Å²	48.8	51%	0.506	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-40.9	-170.1	-69.8	-179.1	-178.7	-73.9	-2.9	113.1	K60 D61 E63 K80	K60-R82 WeakPolarHBondContact O-CD 3.38Å; K60-R82 PolarHBondContact O-NE 2.96Å; K60-R82 VanDerWaalsContact O-NE 3.17Å; D61-R82 WeakPolarHBondContact O-CG 3.17Å; D61-R82 PolarHBondContact O-N 2.89Å; E63-R82 HydrophobicContact CB-CG 4.47Å; K80-R82 PolarHBondContact O-N 2.75Å
83	Q	90.2	Very high	87.8	Confident	143 Å²	143	45.8 Å²	45.8	67%	0.668	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-43.8	-174.3	-58.2	175.9	4.9	0	0	112	H81	H81-Q83 PolarHBondContact O-N 3Å
84	S	90.3	Very high	87.5	Confident	35 Å²	35	45.9 Å²	45.9	25%	0.245	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.6	-176.9	69.8	0	0	0	0	114.2	H81 C86	H81-S84 PolarHBondContact ND1-N 2.74Å; H81-S84 PolarHBondContact ND1-OG 2.64Å; S84-C86 PolarHBondContact O-N 2.93Å; S84-C86 VanDerWaalsContact O-N 3.11Å; S84-C86 WeakPolarHBondContact OG-CB 3.09Å; S84-C86 PolarHBondContact OG-N 3.29Å; S84-C86 PolarHBondContact OG-SG 2.65Å
85	N	91.8	Very high	86.8	Confident	99 Å²	99	49.6 Å²	49.6	53%	0.529	24%	0.24	S	C	.	.			trans	57.8	11.6	-170	-69.2	-68.2	0	0	0	115.2	K80 H81	K80-N85 WeakPolarHBondContact CE-OD1 3.46Å; K80-N85 PolarHBondContact NZ-OD1 3Å; H81-N85 WeakPolarHBondContact O-CA 3.31Å; H81-N85 PolarHBondContact O-N 3.48Å
86	C	91.6	Very high	85.4	Confident	21 Å²	21	52.2 Å²	52.2	14%	0.142	26%	0.257	C	S	.	.			trans	-70.7	140	179.4	-60.4	0	0	0	0	111.5	V47 F53 K80 H81 S84	V47-C86 HydrophobicContact CG1-CB 3.88Å; F53-C86 HydrophobicContact CZ-CB 4.2Å; K80-C86 WeakPolarHBondContact CA-O 3.42Å; H81-C86 PolarHBondContact N-O 3.24Å; S84-C86 PolarHBondContact O-N 2.93Å; S84-C86 VanDerWaalsContact O-N 3.11Å; S84-C86 WeakPolarHBondContact OG-CB 3.09Å; S84-C86 PolarHBondContact OG-N 3.29Å; S84-C86 PolarHBondContact OG-SG 2.65Å
87	L	94.5	Very high	84.1	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.346	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.6	170.1	-64.4	176.4	0	0	0	109.9	L65 K80 Y138	L65-L87 HydrophobicContact CD1-CD2 3.47Å; L65-L87 VanDerWaalsContact CD1-CD2 3.47Å; K80-L87 HydrophobicContact CB-CD2 4.21Å; K80-L87 HydrophobicContact CG-CD2 4.41Å; L87-Y138 HydrophobicContact CB-CD1 4.06Å; L87-Y138 HydrophobicContact CB-CG 4.26Å; L87-Y138 HydrophobicContact CD1-CD1 4.14Å; L87-Y138 HydrophobicContact CD1-CE1 4.44Å; L87-Y138 WeakPolarHBondContact O-CB 3.47Å; L87-Y138 PolarHBondContact O-N 3.23Å
88	L	94.6	Very high	82.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	168.9	-177.4	-56.7	175.4	0	0	0	109.8	F53 L62 V79 H81 V123 I135 T136	F53-L88 HydrophobicContact CE1-CD1 4.21Å; L62-L88 HydrophobicContact CD2-CD1 4.43Å; V79-L88 HydrophobicContact CG2-CB 3.77Å; V79-L88 PolarHBondContact N-O 3.16Å; V79-L88 PolarHBondContact O-N 3.38Å; H81-L88 HydrophobicContact CB-CD1 3.96Å; L88-V123 HydrophobicContact CD2-CG2 3.97Å; L88-I135 HydrophobicContact CB-CG2 3.92Å; L88-I135 HydrophobicContact CD1-CG2 3.69Å; L88-I135 HydrophobicContact CG-CG2 4.27Å; L88-T136 CarbonylContact C-O 3.4Å; L88-T136 VanDerWaalsContact CA-O 3.3Å; L88-T136 WeakPolarHBondContact CA-O 3.23Å; L88-T136 WeakPolarHBondContact CB-O 3.13Å
89	V	93.5	Very high	80.8	Confident	15 Å²	15	64.2 Å²	64.2	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.1	172	177.6	0	0	0	0	109.1	I68 A76 I77 I135 T136 Y138	I68-V89 HydrophobicContact CD1-CB 4.42Å; I68-V89 HydrophobicContact CD1-CG1 3.83Å; I68-V89 HydrophobicContact CD1-CG2 3.66Å; A76-V89 HydrophobicContact CB-CG1 4.01Å; I77-V89 CarbonylContact O-C 3.59Å; I77-V89 WeakPolarHBondContact O-CA 3.25Å; V89-I135 CarbonylContact O-C 3.55Å; V89-I135 VanDerWaalsContact O-CA 3.31Å; V89-I135 WeakPolarHBondContact O-CA 3.32Å; V89-T136 PolarHBondContact N-O 2.8Å; V89-T136 PolarHBondContact O-N 3.36Å; V89-Y138 HydrophobicContact CG2-CD2 3.74Å; V89-Y138 HydrophobicContact CG2-CG 4.41Å
90	L	91.6	Very high	79.3	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117	169.3	-177.4	163	0	0	0	108.2	L62 A76 I77 V79 E92 V126 C133 L134 I135	L62-L90 HydrophobicContact CD1-CD1 4.41Å; A76-L90 CarbonylContact C-O 3.59Å; A76-L90 WeakPolarHBondContact CA-O 3.36Å; I77-L90 HydrophobicContact CB-CB 4.41Å; I77-L90 HydrophobicContact CD1-CD2 4.36Å; I77-L90 PolarHBondContact N-O 2.84Å; I77-L90 PolarHBondContact O-N 3.2Å; V79-L90 HydrophobicContact CG1-CB 3.95Å; V79-L90 HydrophobicContact CG1-CD1 4.47Å; V79-L90 HydrophobicContact CG2-CB 4.47Å; L90-E92 HydrophobicContact CD2-CG 3.72Å; L90-V126 HydrophobicContact CD1-CG1 3.65Å; L90-V126 HydrophobicContact CG-CG1 4.02Å; L90-C133 HydrophobicContact CD1-CB 4.35Å; L90-C133 HydrophobicContact CD2-CB 3.56Å; L90-C133 HydrophobicContact CG-CB 3.71Å; L90-L134 WeakPolarHBondContact CA-O 3.37Å; L90-I135 HydrophobicContact CB-CD1 3.62Å; L90-I135 HydrophobicContact CD1-CD1 4.12Å; L90-I135 HydrophobicContact CG-CD1 3.75Å
91	K	85.8	Confident	77.7	Confident	31 Å²	31	65.9 Å²	65.9	14%	0.135	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.1	174.7	-168.8	171.8	179.4	175.1	0	109.4	R75 V93 C133 L134 D202	R75-K91 WeakPolarHBondContact O-CA 3.49Å; K91-V93 PolarHBondContact O-N 3.31Å; K91-C133 CarbonylContact O-C 3.55Å; K91-C133 WeakPolarHBondContact O-CA 3.47Å; K91-C133 WeakPolarHBondContact O-CB 3.36Å; K91-L134 HydrophobicContact CB-CB 4.45Å; K91-L134 PolarHBondContact N-O 3.09Å; K91-L134 PolarHBondContact O-N 3.29Å; K91-D202 IonicContact NZ-OD1 2.76Å; K91-D202 PolarHBondContact NZ-OD1 3.15Å; K91-D202 IonicContact NZ-OD2 2.69Å; K91-D202 PolarHBondContact NZ-OD2 2.71Å
92	E	78.7	Confident	76.3	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118	178.1	-64.5	179	165.4	0	0	109.1	Y73 R75 L90 R128	Y73-E92 VanDerWaalsContact O-O 3.11Å; R75-E92 IonicContact CZ-OE1 3.24Å; R75-E92 IonicContact CZ-OE2 2.73Å; R75-E92 VanDerWaalsContact CZ-OE2 3.24Å; R75-E92 IonicContact NE-OE1 2.79Å; R75-E92 IonicContact NE-OE2 3.71Å; R75-E92 PolarHBondContact NE-OE2 3.48Å; R75-E92 VanDerWaalsContact NH2-CD 3.29Å; R75-E92 IonicContact NH2-OE1 2.83Å; R75-E92 PolarHBondContact NH2-OE1 3.14Å; R75-E92 IonicContact NH2-OE2 3.85Å; R75-E92 PolarHBondContact NH2-OE2 3.5Å; R75-E92 PolarHBondContact O-N 2.78Å; L90-E92 HydrophobicContact CD2-CG 3.72Å; E92-R128 IonicContact OE1-CZ 3.17Å; E92-R128 IonicContact OE1-NH1 3.84Å; E92-R128 PolarHBondContact OE1-NH1 2.7Å
93	V	68.8	Low	75	Confident	40 Å²	40	64.1 Å²	64.1	24%	0.242	35%	0.345	C	S	.	.			trans	-87.3	122.9	172.4	-175.7	0	0	0	0	107.3	K91 E95 F132 L208	K91-V93 PolarHBondContact O-N 3.31Å; V93-E95 PolarHBondContact O-N 2.93Å; V93-F132 WeakPolarHBondContact CB-O 3.5Å; V93-F132 PolarHBondContact N-O 2.99Å; V93-L208 HydrophobicContact CG1-CD2 4.48Å
94	I	55	Low	73.8	Confident	103 Å²	103	57.9 Å²	57.9	53%	0.528	32%	0.316	S	S	.	.			trans	-67	-9.4	-168	-63.3	177.4	0	0	0	113.6	Q96	I94-Q96 PolarHBondContact O-N 2.9Å
95	E	58.6	Low	72.7	Confident	91 Å²	91	58.5 Å²	58.5	43%	0.425	32%	0.319	S	S	.	.			trans	-80.8	123.2	-168.4	-158.4	62.5	-118.7	0	0	113.6	V93 N97 I100 I212	V93-E95 PolarHBondContact O-N 2.93Å; E95-N97 HydrophobicContact CG-CB 4.27Å; E95-I100 HydrophobicContact CG-CD1 4.34Å; E95-I212 HydrophobicContact CG-CD1 4.25Å
96	Q	53.6	Low	71.5	Confident	158 Å²	158	61.6 Å²	61.6	74%	0.738	32%	0.323	S	S	*	.			trans	-93.1	4.1	-178.4	-66	-175.7	-8	0	0	113.5	I94 K98	I94-Q96 PolarHBondContact O-N 2.9Å; Q96-K98 PolarHBondContact O-N 3.15Å
97	N	60.3	Low	70.3	Confident	77 Å²	77	62.4 Å²	62.4	41%	0.412	33%	0.325	S	S	.	.			trans	-86.6	100.6	-171.8	-166.4	-13.9	0	0	0	112.5	E95 A99 I100	E95-N97 HydrophobicContact CG-CB 4.27Å; N97-A99 PolarHBondContact O-N 3.2Å; N97-A99 VanDerWaalsContact O-N 3.14Å; N97-A99 VanDerWaalsContact OD1-CB 3.29Å; N97-A99 WeakPolarHBondContact OD1-CB 3.3Å; N97-A99 PolarHBondContact OD1-N 3.28Å; N97-I100 HydrophobicContact CB-CD1 3.62Å; N97-I100 HydrophobicContact CB-CG1 3.79Å; N97-I100 WeakPolarHBondContact O-CB 3.34Å; N97-I100 PolarHBondContact O-N 3.31Å
98	K	59.6	Low	69.2	Low	164 Å²	164	59.7 Å²	59.7	71%	0.713	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-54.8	-27.2	174.7	-74.5	-172.9	173.5	-173.8	0	114.3	Q96 I100 E101	Q96-K98 PolarHBondContact O-N 3.15Å; K98-I100 PolarHBondContact O-N 3.24Å; K98-I100 VanDerWaalsContact O-N 3.14Å; K98-E101 VanDerWaalsContact O-CB 3.25Å; K98-E101 WeakPolarHBondContact O-CB 3.34Å; K98-E101 PolarHBondContact O-N 3.19Å
99	A	59.8	Low	68	Low	87 Å²	87	62 Å²	62	72%	0.719	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.3	178.1	0	0	0	0	0	112.8	N97	N97-A99 PolarHBondContact O-N 3.2Å; N97-A99 VanDerWaalsContact O-N 3.14Å; N97-A99 VanDerWaalsContact OD1-CB 3.29Å; N97-A99 WeakPolarHBondContact OD1-CB 3.3Å; N97-A99 PolarHBondContact OD1-N 3.28Å
100	I	63.1	Low	66.9	Low	14 Å²	14	66.7 Å²	66.7	7%	0.072	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-99.9	-6.7	-176.3	-40	-175.6	0	0	0	110.8	E95 N97 K98 A102 T103 I104 I212	E95-I100 HydrophobicContact CG-CD1 4.34Å; N97-I100 HydrophobicContact CB-CD1 3.62Å; N97-I100 HydrophobicContact CB-CG1 3.79Å; N97-I100 WeakPolarHBondContact O-CB 3.34Å; N97-I100 PolarHBondContact O-N 3.31Å; K98-I100 PolarHBondContact O-N 3.24Å; K98-I100 VanDerWaalsContact O-N 3.14Å; I100-A102 PolarHBondContact O-N 3.29Å; I100-T103 CarbonylContact O-C 3.6Å; I100-T103 WeakPolarHBondContact O-CA 3.46Å; I100-T103 WeakPolarHBondContact O-CB 3.48Å; I100-T103 PolarHBondContact O-N 3.31Å; I100-I104 HydrophobicContact CB-CD1 4.2Å; I100-I104 HydrophobicContact CG2-CD1 4.06Å; I100-I104 HydrophobicContact CG2-CG1 4.02Å; I100-I104 WeakPolarHBondContact O-CG1 3.35Å; I100-I104 PolarHBondContact O-N 2.78Å; I100-I212 HydrophobicContact CD1-CB 4.37Å; I100-I212 HydrophobicContact CD1-CD1 3.96Å; I100-I212 HydrophobicContact CD1-CG1 3.8Å; I100-I212 HydrophobicContact CD1-CG2 3.98Å
101	E	62.4	Low	66.1	Low	79 Å²	79	67.5 Å²	67.5	37%	0.369	36%	0.355	S	S	.	.	H	α-helix	trans	-52.6	-51.9	-178.6	170.3	167.3	-178.1	0	0	112.6	K98 T103 I104 V105 F132	K98-E101 VanDerWaalsContact O-CB 3.25Å; K98-E101 WeakPolarHBondContact O-CB 3.34Å; K98-E101 PolarHBondContact O-N 3.19Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 3.25Å; E101-I104 PolarHBondContact O-N 3.17Å; E101-V105 WeakPolarHBondContact O-CG2 3.46Å; E101-V105 PolarHBondContact O-N 3.46Å; E101-F132 HydrophobicContact CB-CE2 3.85Å; E101-F132 HydrophobicContact CB-CZ 4.26Å; E101-F132 VanDerWaalsContact CD-CZ 3.43Å; E101-F132 HydrophobicContact CG-CE1 4.47Å; E101-F132 HydrophobicContact CG-CE2 3.49Å; E101-F132 VanDerWaalsContact CG-CE2 3.49Å; E101-F132 HydrophobicContact CG-CZ 3.38Å; E101-F132 WeakPolarHBondContact OE1-CZ 3.36Å
102	A	64.7	Low	65.6	Low	65 Å²	65	66.7 Å²	66.7	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-33.1	-179.8	0	0	0	0	0	112.5	I100 R106	I100-A102 PolarHBondContact O-N 3.29Å; A102-R106 VanDerWaalsContact O-CB 3.31Å; A102-R106 WeakPolarHBondContact O-CB 3.31Å; A102-R106 PolarHBondContact O-N 3.32Å; A102-R106 VanDerWaalsContact O-N 3.15Å
103	T	65.8	Low	65.7	Low	43 Å²	43	71.6 Å²	71.6	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-70.9	-44.2	175.7	-55.6	0	0	0	0	110.4	I100 E101 R106 E107	I100-T103 CarbonylContact O-C 3.6Å; I100-T103 WeakPolarHBondContact O-CA 3.46Å; I100-T103 WeakPolarHBondContact O-CB 3.48Å; I100-T103 PolarHBondContact O-N 3.31Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 3.25Å; T103-R106 PolarHBondContact O-N 2.7Å; T103-E107 HydrophobicContact CG2-CG 4.49Å; T103-E107 WeakPolarHBondContact O-CB 3.23Å; T103-E107 WeakPolarHBondContact O-CG 3.19Å; T103-E107 PolarHBondContact O-N 2.69Å
104	I	64.9	Low	66.3	Low	12 Å²	12	70.5 Å²	70.5	6%	0.062	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-49.3	178.4	-68.9	162.5	0	0	0	110.6	I100 E101 R106 E107 V108 L208	I100-I104 HydrophobicContact CB-CD1 4.2Å; I100-I104 HydrophobicContact CG2-CD1 4.06Å; I100-I104 HydrophobicContact CG2-CG1 4.02Å; I100-I104 WeakPolarHBondContact O-CG1 3.35Å; I100-I104 PolarHBondContact O-N 2.78Å; E101-I104 PolarHBondContact O-N 3.17Å; I104-R106 VanDerWaalsContact C-N 3.29Å; I104-R106 PolarHBondContact O-N 2.64Å; I104-E107 PolarHBondContact O-N 3.03Å; I104-V108 HydrophobicContact CG2-CG2 4.18Å; I104-V108 WeakPolarHBondContact O-CB 3.37Å; I104-V108 VanDerWaalsContact O-CG2 3.3Å; I104-V108 WeakPolarHBondContact O-CG2 3.27Å; I104-V108 PolarHBondContact O-N 2.8Å; I104-L208 HydrophobicContact CB-CD1 4.06Å; I104-L208 HydrophobicContact CG1-CD1 3.73Å; I104-L208 HydrophobicContact CG1-CD2 4.27Å; I104-L208 HydrophobicContact CG1-CG 4.01Å; I104-L208 HydrophobicContact CG2-CD1 4.19Å; I104-L208 HydrophobicContact CG2-CD2 4.38Å
105	V	67.2	Low	67.9	Low	49 Å²	49	72.7 Å²	72.7	30%	0.297	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-41.3	179.3	173.4	0	0	0	0	110.9	E101 S109 F132	E101-V105 WeakPolarHBondContact O-CG2 3.46Å; E101-V105 PolarHBondContact O-N 3.46Å; V105-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 PolarHBondContact O-N 3.23Å; V105-S109 PolarHBondContact O-OG 3.4Å; V105-F132 HydrophobicContact CG2-CE1 4.15Å
106	R	67.3	Low	69.4	Low	163 Å²	163	70.1 Å²	70.1	62%	0.615	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-46.7	176.1	-171.5	-173.8	-62.5	136.7	0.8	111.5	A102 T103 I104 S109 L110	A102-R106 VanDerWaalsContact O-CB 3.31Å; A102-R106 WeakPolarHBondContact O-CB 3.31Å; A102-R106 PolarHBondContact O-N 3.32Å; A102-R106 VanDerWaalsContact O-N 3.15Å; T103-R106 PolarHBondContact O-N 2.7Å; I104-R106 VanDerWaalsContact C-N 3.29Å; I104-R106 PolarHBondContact O-N 2.64Å; R106-S109 WeakPolarHBondContact O-CB 3.35Å; R106-S109 PolarHBondContact O-N 2.91Å; R106-L110 WeakPolarHBondContact O-CG 3.18Å; R106-L110 PolarHBondContact O-N 3.04Å; R106-L110 VanDerWaalsContact O-N 3.07Å
107	E	67.1	Low	71.3	Confident	39 Å²	39	66.8 Å²	66.8	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-42.9	178.9	-74.7	-165.6	-172.6	0	0	112	T103 I104 S109 L110 L111 L208	T103-E107 HydrophobicContact CG2-CG 4.49Å; T103-E107 WeakPolarHBondContact O-CB 3.23Å; T103-E107 WeakPolarHBondContact O-CG 3.19Å; T103-E107 PolarHBondContact O-N 2.69Å; I104-E107 PolarHBondContact O-N 3.03Å; E107-S109 VanDerWaalsContact C-N 3.29Å; E107-S109 PolarHBondContact O-N 2.76Å; E107-L110 WeakPolarHBondContact O-CB 3.23Å; E107-L110 PolarHBondContact O-N 3.01Å; E107-L110 VanDerWaalsContact O-N 3.09Å; E107-L111 WeakPolarHBondContact O-CG 3.47Å; E107-L111 PolarHBondContact O-N 3.14Å; E107-L208 HydrophobicContact CB-CD1 3.73Å; E107-L208 HydrophobicContact CG-CD1 4.29Å; E107-L208 WeakPolarHBondContact OE2-CA 3.24Å; E107-L208 WeakPolarHBondContact OE2-CD1 3.37Å; E107-L208 PolarHBondContact OE2-N 3.05Å
108	V	70.1	Confident	73	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.055	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-37.7	175.6	177.2	0	0	0	0	111	I104 L110 L111 Q112 I122 V125 L134	I104-V108 HydrophobicContact CG2-CG2 4.18Å; I104-V108 WeakPolarHBondContact O-CB 3.37Å; I104-V108 VanDerWaalsContact O-CG2 3.3Å; I104-V108 WeakPolarHBondContact O-CG2 3.27Å; I104-V108 PolarHBondContact O-N 2.8Å; V108-L110 VanDerWaalsContact C-N 3.28Å; V108-L110 PolarHBondContact O-N 2.97Å; V108-L111 CarbonylContact O-C 3.59Å; V108-L111 PolarHBondContact O-N 3.01Å; V108-L111 VanDerWaalsContact O-N 3.16Å; V108-Q112 HydrophobicContact CG1-CG 4.3Å; V108-Q112 WeakPolarHBondContact O-CB 3.26Å; V108-Q112 WeakPolarHBondContact O-CG 3.29Å; V108-Q112 PolarHBondContact O-N 3.43Å; V108-I122 HydrophobicContact CG1-CG2 4.05Å; V108-V125 HydrophobicContact CB-CG1 3.99Å; V108-V125 HydrophobicContact CG1-CG1 3.5Å; V108-V125 VanDerWaalsContact CG1-CG1 3.5Å; V108-V125 HydrophobicContact CG2-CG1 3.97Å; V108-L134 HydrophobicContact CG1-CD1 3.87Å; V108-L134 HydrophobicContact CG2-CD1 4.13Å
109	S	69.7	Low	74.6	Confident	48 Å²	48	55.6 Å²	55.6	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-36.1	173.9	-58.2	0	0	0	0	112.1	V105 R106 E107 N113	V105-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 PolarHBondContact O-N 3.23Å; V105-S109 PolarHBondContact O-OG 3.4Å; R106-S109 WeakPolarHBondContact O-CB 3.35Å; R106-S109 PolarHBondContact O-N 2.91Å; E107-S109 VanDerWaalsContact C-N 3.29Å; E107-S109 PolarHBondContact O-N 2.76Å; S109-N113 PolarHBondContact O-ND2 2.67Å
110	L	71.7	Confident	76.1	Confident	113 Å²	113	52 Å²	52	59%	0.592	27%	0.273	S	S	*	.	H	α-helix	trans	-67.7	-43	173.2	-66.9	173.4	0	0	0	111.4	R106 E107 V108 Q112 N113	R106-L110 WeakPolarHBondContact O-CG 3.18Å; R106-L110 PolarHBondContact O-N 3.04Å; R106-L110 VanDerWaalsContact O-N 3.07Å; E107-L110 WeakPolarHBondContact O-CB 3.23Å; E107-L110 PolarHBondContact O-N 3.01Å; E107-L110 VanDerWaalsContact O-N 3.09Å; V108-L110 VanDerWaalsContact C-N 3.28Å; V108-L110 PolarHBondContact O-N 2.97Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 3.02Å; L110-N113 WeakPolarHBondContact O-CB 3.32Å; L110-N113 PolarHBondContact O-N 2.71Å; L110-N113 VanDerWaalsContact O-N 3.17Å
111	L	73.1	Confident	77.3	Confident	19 Å²	19	51.9 Å²	51.9	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-31.5	178.2	-60.9	172.3	0	0	0	112.2	E107 V108 N113 L114 I122 F203	E107-L111 WeakPolarHBondContact O-CG 3.47Å; E107-L111 PolarHBondContact O-N 3.14Å; V108-L111 CarbonylContact O-C 3.59Å; V108-L111 PolarHBondContact O-N 3.01Å; V108-L111 VanDerWaalsContact O-N 3.16Å; L111-N113 PolarHBondContact O-N 2.65Å; L111-L114 HydrophobicContact CD2-CD1 3.95Å; L111-L114 WeakPolarHBondContact O-CB 3.07Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L111-I122 HydrophobicContact CB-CD1 3.4Å; L111-I122 VanDerWaalsContact CB-CD1 3.4Å; L111-I122 HydrophobicContact CD1-CD1 3.85Å; L111-I122 HydrophobicContact CG-CD1 4.23Å; L111-F203 HydrophobicContact CD2-CD2 4.04Å; L111-F203 HydrophobicContact CD2-CE2 3.94Å
112	Q	76.5	Confident	78.5	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.065	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.1	173.2	-80.6	179.3	-31.8	0	0	113.5	R48 V108 L110 L114 I122 V123	R48-Q112 PolarHBondContact NH1-O 3.21Å; V108-Q112 HydrophobicContact CG1-CG 4.3Å; V108-Q112 WeakPolarHBondContact O-CB 3.26Å; V108-Q112 WeakPolarHBondContact O-CG 3.29Å; V108-Q112 PolarHBondContact O-N 3.43Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 3.02Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-I122 HydrophobicContact CG-CB 4.38Å; Q112-I122 HydrophobicContact CG-CG2 3.89Å; Q112-V123 PolarHBondContact NE2-O 2.99Å; Q112-V123 VanDerWaalsContact NE2-O 3.09Å
113	N	80.3	Confident	79.5	Confident	117 Å²	117	45.4 Å²	45.4	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.9	176.2	-68.5	-35.1	0	0	0	112.7	S109 L110 L111 K115	S109-N113 PolarHBondContact O-ND2 2.67Å; L110-N113 WeakPolarHBondContact O-CB 3.32Å; L110-N113 PolarHBondContact O-N 2.71Å; L110-N113 VanDerWaalsContact O-N 3.17Å; L111-N113 PolarHBondContact O-N 2.65Å; N113-K115 PolarHBondContact O-N 3.44Å
114	L	82.1	Confident	80.3	Confident	17 Å²	17	43.4 Å²	43.4	9%	0.089	22%	0.22	C	C	.	.			trans	-75	112.5	174.2	-61.4	175.6	0	0	0	109.1	L111 Q112 Y174 L175 H178 F203	L111-L114 HydrophobicContact CD2-CD1 3.95Å; L111-L114 WeakPolarHBondContact O-CB 3.07Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-L114 VanDerWaalsContact O-N 3.09Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; L114-Y174 HydrophobicContact CB-CE1 4Å; L114-Y174 HydrophobicContact CD2-CE1 3.79Å; L114-Y174 HydrophobicContact CG-CE1 4.47Å; L114-L175 HydrophobicContact CD1-CD2 3.97Å; L114-H178 HydrophobicContact CD2-CB 4.11Å; L114-F203 HydrophobicContact CD1-CD2 4.05Å; L114-F203 HydrophobicContact CD1-CE2 3.67Å
115	K	87.2	Confident	81.3	Confident	149 Å²	149	43.1 Å²	43.1	65%	0.648	22%	0.219	S	C	*	.			trans	-128.2	107	-178.2	-66.4	-175.3	-178.3	-177.7	0	109.4	N113 Y174	N113-K115 PolarHBondContact O-N 3.44Å; K115-Y174 PolarHBondContact N-OH 2.99Å; K115-Y174 PolarHBondContact O-OH 2.86Å
116	H	91.3	Very high	82.2	Confident	37 Å²	37	40.9 Å²	40.9	17%	0.171	21%	0.205	C	C	.	.			trans	-152.8	140.5	178.6	-174.9	-90.3	0	0	0	109.7	N118 I119 S170 Y174	H116-N118 PolarHBondContact ND1-N 3.35Å; H116-N118 PolarHBondContact O-N 3.05Å; H116-N118 VanDerWaalsContact O-N 3.14Å; H116-I119 HydrophobicContact CB-CB 3.98Å; H116-I119 HydrophobicContact CB-CG1 3.75Å; H116-I119 PolarHBondContact O-N 2.82Å; H116-I119 VanDerWaalsContact O-N 3.07Å; H116-S170 PolarHBondContact CE1-O 2.87Å; H116-S170 PolarHBondContact CE1-OG 2.86Å; H116-S170 PolarHBondContact NE2-OG 3.34Å; H116-Y174 HydrophobicContact CB-CD1 3.69Å; H116-Y174 HydrophobicContact CB-CD2 3.96Å; H116-Y174 HydrophobicContact CB-CE1 3.95Å; H116-Y174 HydrophobicContact CB-CE2 4.2Å; H116-Y174 HydrophobicContact CB-CG 3.69Å; H116-Y174 AromaticContact CD2-CD2 3.64Å; H116-Y174 AromaticContact CD2-CG 3.69Å; H116-Y174 AromaticContact CG-CG 3.74Å
117	P	92.6	Very high	83	Confident	88 Å²	88	37.4 Å²	37.4	57%	0.571	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.7	-177.3	21.8	-35	0	0	0	114	V199	P117-V199 WeakPolarHBondContact O-CG1 3.46Å
118	N	95.9	Very high	83.8	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	20.9	179.3	-53.6	106.5	0	0	0	114.1	H116 D167 V198 V199 V200	H116-N118 PolarHBondContact ND1-N 3.35Å; H116-N118 PolarHBondContact O-N 3.05Å; H116-N118 VanDerWaalsContact O-N 3.14Å; N118-D167 WeakPolarHBondContact CB-O 3.39Å; N118-D167 VanDerWaalsContact ND2-CB 3.27Å; N118-D167 WeakPolarHBondContact ND2-CB 3.43Å; N118-D167 PolarHBondContact ND2-OD2 3.18Å; N118-V198 WeakPolarHBondContact CA-O 3.34Å; N118-V198 WeakPolarHBondContact CB-O 3.28Å; N118-V198 PolarHBondContact ND2-O 3.37Å; N118-V199 WeakPolarHBondContact O-CA 3.38Å; N118-V200 PolarHBondContact O-N 3.4Å
119	I	93.4	Very high	84.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-120.8	131.1	172.6	-65.8	-63	0	0	0	108.5	H116 T121 G171 Y174 L175 V200 F203	H116-I119 HydrophobicContact CB-CB 3.98Å; H116-I119 HydrophobicContact CB-CG1 3.75Å; H116-I119 PolarHBondContact O-N 2.82Å; H116-I119 VanDerWaalsContact O-N 3.07Å; I119-T121 PolarHBondContact O-N 3.03Å; I119-G171 WeakPolarHBondContact CD1-O 3.42Å; I119-Y174 HydrophobicContact CG1-CD1 4.06Å; I119-L175 HydrophobicContact CD1-CD1 3.76Å; I119-L175 HydrophobicContact CD1-CD2 4.05Å; I119-L175 HydrophobicContact CD1-CG 3.63Å; I119-L175 HydrophobicContact CG1-CG 4.48Å; I119-V200 HydrophobicContact CD1-CB 4.03Å; I119-F203 HydrophobicContact CG2-CD1 4.07Å; I119-F203 HydrophobicContact CG2-CE1 3.34Å; I119-F203 HydrophobicContact CG2-CE2 4.16Å; I119-F203 HydrophobicContact CG2-CZ 3.38Å
120	L	92	Very high	84.8	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.058	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.8	125.4	-179.5	-177	68.5	0	0	0	109.5	I122 T136 E137 I139 L191 V199 V200 F203	L120-I122 PolarHBondContact O-N 2.8Å; L120-T136 HydrophobicContact CD2-CG2 3.93Å; L120-T136 HydrophobicContact CG-CG2 4.43Å; L120-E137 HydrophobicContact CD1-CG 3.49Å; L120-E137 VanDerWaalsContact CD1-CG 3.49Å; L120-E137 HydrophobicContact CG-CG 4.49Å; L120-I139 HydrophobicContact CD1-CD1 3.94Å; L120-I139 HydrophobicContact CD1-CG1 3.64Å; L120-L191 HydrophobicContact CD1-CD1 4.25Å; L120-L191 HydrophobicContact CD2-CD1 4.09Å; L120-V199 HydrophobicContact CB-CG2 4.26Å; L120-V199 HydrophobicContact CD1-CG2 3.94Å; L120-V200 WeakPolarHBondContact CB-O 3.4Å; L120-V200 PolarHBondContact N-O 3.38Å; L120-F203 HydrophobicContact CB-CE1 4.39Å; L120-F203 WeakPolarHBondContact O-CZ 3.46Å
121	T	88.7	Confident	85	Confident	12 Å²	12	47.4 Å²	47.4	7%	0.074	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-75.4	119.2	-176.4	-54.1	0	0	0	0	110.7	S46 R48 I119 V123 T136 E137	S46-T121 VanDerWaalsContact CB-OG1 3.32Å; S46-T121 WeakPolarHBondContact CB-OG1 3.17Å; S46-T121 WeakPolarHBondContact OG-CB 3.38Å; S46-T121 WeakPolarHBondContact OG-CG2 3.3Å; S46-T121 PolarHBondContact OG-OG1 2.83Å; R48-T121 HydrophobicContact CB-CG2 3.96Å; R48-T121 HydrophobicContact CG-CG2 3.58Å; I119-T121 PolarHBondContact O-N 3.03Å; T121-V123 PolarHBondContact O-N 2.86Å; T121-T136 WeakPolarHBondContact O-CA 3.47Å; T121-T136 WeakPolarHBondContact O-CB 3.42Å; T121-E137 WeakPolarHBondContact CB-OE1 3.35Å; T121-E137 PolarHBondContact N-OE1 3.47Å; T121-E137 PolarHBondContact O-N 3.22Å; T121-E137 PolarHBondContact OG1-OE1 3.22Å
122	I	86.2	Confident	85.2	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.9	164.7	-58.5	-179.2	0	0	0	108.2	R48 V108 L111 Q112 L120 L134 T136 F203	R48-I122 PolarHBondContact NH1-O 3.22Å; V108-I122 HydrophobicContact CG1-CG2 4.05Å; L111-I122 HydrophobicContact CB-CD1 3.4Å; L111-I122 VanDerWaalsContact CB-CD1 3.4Å; L111-I122 HydrophobicContact CD1-CD1 3.85Å; L111-I122 HydrophobicContact CG-CD1 4.23Å; Q112-I122 HydrophobicContact CG-CB 4.38Å; Q112-I122 HydrophobicContact CG-CG2 3.89Å; L120-I122 PolarHBondContact O-N 2.8Å; I122-L134 HydrophobicContact CD1-CD1 4.2Å; I122-L134 HydrophobicContact CD1-CD2 4.17Å; I122-L134 HydrophobicContact CG1-CD1 4.49Å; I122-L134 HydrophobicContact CG1-CD2 4.34Å; I122-L134 HydrophobicContact CG2-CD1 3.53Å; I122-L134 HydrophobicContact CG2-CG 4.26Å; I122-T136 HydrophobicContact CG1-CG2 4.41Å; I122-F203 HydrophobicContact CD1-CZ 4.42Å
123	V	86.4	Confident	85.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-48.8	-179.5	177.6	0	0	0	0	109.9	R48 F53 I57 L88 Q112 T121 I135	R48-V123 HydrophobicContact CG-CG2 4.49Å; F53-V123 HydrophobicContact CB-CG1 3.53Å; F53-V123 HydrophobicContact CD1-CG1 3.85Å; F53-V123 HydrophobicContact CD2-CG1 3.4Å; F53-V123 HydrophobicContact CE1-CG1 4.37Å; F53-V123 HydrophobicContact CE2-CG1 3.97Å; F53-V123 HydrophobicContact CG-CG1 3.31Å; F53-V123 HydrophobicContact CZ-CG1 4.42Å; I57-V123 HydrophobicContact CD1-CG1 3.95Å; L88-V123 HydrophobicContact CD2-CG2 3.97Å; Q112-V123 PolarHBondContact NE2-O 2.99Å; Q112-V123 VanDerWaalsContact NE2-O 3.09Å; T121-V123 PolarHBondContact O-N 2.86Å; V123-I135 HydrophobicContact CB-CB 4.48Å; V123-I135 HydrophobicContact CB-CG2 4.03Å; V123-I135 HydrophobicContact CG1-CG2 4.38Å; V123-I135 PolarHBondContact N-O 3.09Å
124	G	83.1	Confident	85.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-175.9	-168.2	0	0	0	0	0	113	P55 I135	P55-G124 CarbonylContact O-C 3.59Å; P55-G124 VanDerWaalsContact O-CA 3.3Å; P55-G124 WeakPolarHBondContact O-CA 3.35Å; G124-I135 PolarHBondContact N-O 3.07Å; G124-I135 PolarHBondContact O-N 2.94Å
125	V	84.6	Confident	86.1	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.4	162.1	-62.2	0	0	0	0	109.4	P55 N56 I57 V108 C133 L134	P55-V125 PolarHBondContact O-N 2.95Å; N56-V125 WeakPolarHBondContact CA-O 3.5Å; N56-V125 WeakPolarHBondContact OD1-CG2 3.48Å; I57-V125 PolarHBondContact N-O 2.6Å; V108-V125 HydrophobicContact CB-CG1 3.99Å; V108-V125 HydrophobicContact CG1-CG1 3.5Å; V108-V125 VanDerWaalsContact CG1-CG1 3.5Å; V108-V125 HydrophobicContact CG2-CG1 3.97Å; V125-C133 CarbonylContact C-O 3.6Å; V125-C133 WeakPolarHBondContact CA-O 3.43Å; V125-L134 HydrophobicContact CG1-CD1 4.48Å
126	V	87.1	Confident	86.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.9	168	62.5	0	0	0	0	108.5	I57 E59 L62 L90 C133 I135	I57-V126 WeakPolarHBondContact O-CG2 3.31Å; E59-V126 HydrophobicContact CB-CG2 3.9Å; L62-V126 HydrophobicContact CD1-CB 4.29Å; L62-V126 HydrophobicContact CD1-CG1 4.24Å; L62-V126 HydrophobicContact CD1-CG2 4.18Å; L90-V126 HydrophobicContact CD1-CG1 3.65Å; L90-V126 HydrophobicContact CG-CG1 4.02Å; V126-C133 HydrophobicContact CG1-CB 3.68Å; V126-C133 PolarHBondContact N-O 3.08Å; V126-C133 PolarHBondContact O-N 3.5Å; V126-I135 HydrophobicContact CB-CD1 4.28Å; V126-I135 HydrophobicContact CB-CG1 4.22Å; V126-I135 HydrophobicContact CG1-CD1 3.49Å; V126-I135 VanDerWaalsContact CG1-CD1 3.49Å; V126-I135 HydrophobicContact CG1-CG1 3.89Å
127	I	83.7	Confident	86.3	Confident	91 Å²	91	33.2 Å²	33.2	47%	0.467	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.4	170.7	-59.7	174.6	0	0	0	107.3	Q131 F132	I127-Q131 WeakPolarHBondContact CA-O 3.43Å; I127-F132 HydrophobicContact CD1-CE1 3.67Å; I127-F132 HydrophobicContact CD1-CZ 3.76Å; I127-F132 HydrophobicContact CG1-CD1 3.91Å; I127-F132 HydrophobicContact CG1-CE1 3.54Å; I127-F132 HydrophobicContact CG1-CZ 4Å
128	R	83.3	Confident	86.4	Confident	36 Å²	36	31.3 Å²	31.3	14%	0.136	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.4	179.5	172.7	162.2	-179.3	-106.3	-3	109.2	E59 I77 E92 R130 Q131	E59-R128 WeakPolarHBondContact OE1-CD 3.19Å; E59-R128 WeakPolarHBondContact OE1-CG 3.3Å; E59-R128 IonicContact OE1-NE 3.84Å; E59-R128 PolarHBondContact OE1-NE 2.89Å; E59-R128 VanDerWaalsContact OE1-NE 3.17Å; E59-R128 WeakPolarHBondContact OE2-CA 3.46Å; I77-R128 VanDerWaalsContact CD1-NH1 3.28Å; E92-R128 IonicContact OE1-CZ 3.17Å; E92-R128 IonicContact OE1-NH1 3.84Å; E92-R128 PolarHBondContact OE1-NH1 2.7Å; R128-R130 PolarHBondContact O-N 3.08Å; R128-R130 VanDerWaalsContact O-N 3.15Å; R128-Q131 PolarHBondContact N-O 2.77Å; R128-Q131 WeakPolarHBondContact O-CA 3.42Å; R128-Q131 WeakPolarHBondContact O-CB 3.5Å; R128-Q131 PolarHBondContact O-N 3.14Å; R128-Q131 VanDerWaalsContact O-O 3.14Å
129	N	83.5	Confident	86.3	Confident	112 Å²	112	31.5 Å²	31.5	60%	0.599	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	37.6	-176.8	-59.8	-39.5	0	0	0	114	Q131	N129-Q131 PolarHBondContact O-N 3.07Å
130	R	77.3	Confident	86.2	Confident	230 Å²	230	35.7 Å²	35.7	87%	0.868	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	19	-175	-50.5	177.1	175.3	170.6	-0.7	114.5	R128	R128-R130 PolarHBondContact O-N 3.08Å; R128-R130 VanDerWaalsContact O-N 3.15Å
131	Q	76.6	Confident	86.3	Confident	40 Å²	40	37 Å²	37	19%	0.187	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.4	175.5	-64.3	-177.2	-45.7	0	0	110.5	I127 R128 N129	I127-Q131 WeakPolarHBondContact CA-O 3.43Å; R128-Q131 PolarHBondContact N-O 2.77Å; R128-Q131 WeakPolarHBondContact O-CA 3.42Å; R128-Q131 WeakPolarHBondContact O-CB 3.5Å; R128-Q131 PolarHBondContact O-N 3.14Å; R128-Q131 VanDerWaalsContact O-O 3.14Å; N129-Q131 PolarHBondContact O-N 3.07Å
132	F	77.1	Confident	86.5	Confident	26 Å²	26	37.8 Å²	37.8	11%	0.114	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.9	171.8	-76.5	-81	0	0	0	110	V93 E101 V105 I127	V93-F132 WeakPolarHBondContact CB-O 3.5Å; V93-F132 PolarHBondContact N-O 2.99Å; E101-F132 HydrophobicContact CB-CE2 3.85Å; E101-F132 HydrophobicContact CB-CZ 4.26Å; E101-F132 VanDerWaalsContact CD-CZ 3.43Å; E101-F132 HydrophobicContact CG-CE1 4.47Å; E101-F132 HydrophobicContact CG-CE2 3.49Å; E101-F132 VanDerWaalsContact CG-CE2 3.49Å; E101-F132 HydrophobicContact CG-CZ 3.38Å; E101-F132 WeakPolarHBondContact OE1-CZ 3.36Å; V105-F132 HydrophobicContact CG2-CE1 4.15Å; I127-F132 HydrophobicContact CD1-CE1 3.67Å; I127-F132 HydrophobicContact CD1-CZ 3.76Å; I127-F132 HydrophobicContact CG1-CD1 3.91Å; I127-F132 HydrophobicContact CG1-CE1 3.54Å; I127-F132 HydrophobicContact CG1-CZ 4Å
133	C	83.8	Confident	87	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.6	173.7	-50.7	0	0	0	0	109.3	L90 K91 V125 V126	L90-C133 HydrophobicContact CD1-CB 4.35Å; L90-C133 HydrophobicContact CD2-CB 3.56Å; L90-C133 HydrophobicContact CG-CB 3.71Å; K91-C133 CarbonylContact O-C 3.55Å; K91-C133 WeakPolarHBondContact O-CA 3.47Å; K91-C133 WeakPolarHBondContact O-CB 3.36Å; V125-C133 CarbonylContact C-O 3.6Å; V125-C133 WeakPolarHBondContact CA-O 3.43Å; V126-C133 HydrophobicContact CG1-CB 3.68Å; V126-C133 PolarHBondContact N-O 3.08Å; V126-C133 PolarHBondContact O-N 3.5Å
134	L	85.6	Confident	87.5	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.2	175.9	-170.2	69.6	0	0	0	109.3	L90 K91 V108 I122 V125 T136	L90-L134 WeakPolarHBondContact CA-O 3.37Å; K91-L134 HydrophobicContact CB-CB 4.45Å; K91-L134 PolarHBondContact N-O 3.09Å; K91-L134 PolarHBondContact O-N 3.29Å; V108-L134 HydrophobicContact CG1-CD1 3.87Å; V108-L134 HydrophobicContact CG2-CD1 4.13Å; I122-L134 HydrophobicContact CD1-CD1 4.2Å; I122-L134 HydrophobicContact CD1-CD2 4.17Å; I122-L134 HydrophobicContact CG1-CD1 4.49Å; I122-L134 HydrophobicContact CG1-CD2 4.34Å; I122-L134 HydrophobicContact CG2-CD1 3.53Å; I122-L134 HydrophobicContact CG2-CG 4.26Å; V125-L134 HydrophobicContact CG1-CD1 4.48Å; L134-T136 HydrophobicContact CD2-CG2 4.02Å; L134-T136 HydrophobicContact CG-CG2 4.2Å
135	I	89.5	Confident	88.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124	172.2	-56.1	-56.1	0	0	0	109.6	I57 L62 L88 V89 L90 V123 G124 V126	I57-I135 HydrophobicContact CD1-CB 4.35Å; I57-I135 HydrophobicContact CD1-CG1 4.34Å; I57-I135 HydrophobicContact CD1-CG2 4.13Å; L62-I135 HydrophobicContact CD1-CD1 3.99Å; L88-I135 HydrophobicContact CB-CG2 3.92Å; L88-I135 HydrophobicContact CD1-CG2 3.69Å; L88-I135 HydrophobicContact CG-CG2 4.27Å; V89-I135 CarbonylContact O-C 3.55Å; V89-I135 VanDerWaalsContact O-CA 3.31Å; V89-I135 WeakPolarHBondContact O-CA 3.32Å; L90-I135 HydrophobicContact CB-CD1 3.62Å; L90-I135 HydrophobicContact CD1-CD1 4.12Å; L90-I135 HydrophobicContact CG-CD1 3.75Å; V123-I135 HydrophobicContact CB-CB 4.48Å; V123-I135 HydrophobicContact CB-CG2 4.03Å; V123-I135 HydrophobicContact CG1-CG2 4.38Å; V123-I135 PolarHBondContact N-O 3.09Å; G124-I135 PolarHBondContact N-O 3.07Å; G124-I135 PolarHBondContact O-N 2.94Å; V126-I135 HydrophobicContact CB-CD1 4.28Å; V126-I135 HydrophobicContact CB-CG1 4.22Å; V126-I135 HydrophobicContact CG1-CD1 3.49Å; V126-I135 VanDerWaalsContact CG1-CD1 3.49Å; V126-I135 HydrophobicContact CG1-CG1 3.89Å
136	T	91.1	Very high	88.5	Confident	12 Å²	12	42.3 Å²	42.3	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	167.7	173.7	69.1	0	0	0	0	110.9	L88 V89 L120 T121 I122 L134	L88-T136 CarbonylContact C-O 3.4Å; L88-T136 VanDerWaalsContact CA-O 3.3Å; L88-T136 WeakPolarHBondContact CA-O 3.23Å; L88-T136 WeakPolarHBondContact CB-O 3.13Å; V89-T136 PolarHBondContact N-O 2.8Å; V89-T136 PolarHBondContact O-N 3.36Å; L120-T136 HydrophobicContact CD2-CG2 3.93Å; L120-T136 HydrophobicContact CG-CG2 4.43Å; T121-T136 WeakPolarHBondContact O-CA 3.47Å; T121-T136 WeakPolarHBondContact O-CB 3.42Å; I122-T136 HydrophobicContact CG1-CG2 4.41Å; L134-T136 HydrophobicContact CD2-CG2 4.02Å; L134-T136 HydrophobicContact CG-CG2 4.2Å
137	E	91.4	Very high	89	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	149.5	165.3	63.3	-170.9	141.3	0	0	111.2	S46 V47 L120 T121 I139 R193	S46-E137 WeakPolarHBondContact CA-OE2 3.34Å; V47-E137 HydrophobicContact CB-CB 4.31Å; V47-E137 HydrophobicContact CG2-CB 3.76Å; V47-E137 PolarHBondContact N-OE2 3.35Å; L120-E137 HydrophobicContact CD1-CG 3.49Å; L120-E137 VanDerWaalsContact CD1-CG 3.49Å; L120-E137 HydrophobicContact CG-CG 4.49Å; T121-E137 WeakPolarHBondContact CB-OE1 3.35Å; T121-E137 PolarHBondContact N-OE1 3.47Å; T121-E137 PolarHBondContact O-N 3.22Å; T121-E137 PolarHBondContact OG1-OE1 3.22Å; E137-I139 HydrophobicContact CG-CD1 3.88Å; E137-I139 HydrophobicContact CG-CG1 4.5Å; E137-R193 IonicContact OE1-NH2 2.75Å; E137-R193 PolarHBondContact OE1-NH2 3.45Å; E137-R193 IonicContact OE2-CZ 2.92Å; E137-R193 IonicContact OE2-NH1 2.96Å; E137-R193 IonicContact OE2-NH2 3.54Å; E137-R193 PolarHBondContact OE2-NH2 3.34Å
138	Y	94	Very high	89.6	Confident	48 Å²	48	38 Å²	38	19%	0.188	19%	0.185	C	C	.	.			trans	-85	134.7	170.6	175	-106	0	0	0	110.1	K78 L87 V89 E140	K78-Y138 HydrophobicContact CD-CD2 4.22Å; K78-Y138 HydrophobicContact CD-CE1 4.47Å; K78-Y138 HydrophobicContact CD-CE2 3.89Å; K78-Y138 HydrophobicContact CG-CD2 4.21Å; K78-Y138 HydrophobicContact CG-CE2 4.32Å; K78-Y138 VanDerWaalsContact NZ-CE1 3.33Å; K78-Y138 VanDerWaalsContact NZ-CZ 3.34Å; K78-Y138 PolarHBondContact NZ-OH 2.93Å; L87-Y138 HydrophobicContact CB-CD1 4.06Å; L87-Y138 HydrophobicContact CB-CG 4.26Å; L87-Y138 HydrophobicContact CD1-CD1 4.14Å; L87-Y138 HydrophobicContact CD1-CE1 4.44Å; L87-Y138 WeakPolarHBondContact O-CB 3.47Å; L87-Y138 PolarHBondContact O-N 3.23Å; V89-Y138 HydrophobicContact CG2-CD2 3.74Å; V89-Y138 HydrophobicContact CG2-CG 4.41Å; Y138-E140 HydrophobicContact CD1-CG 4.49Å; Y138-E140 HydrophobicContact CE1-CB 4.48Å; Y138-E140 HydrophobicContact CE1-CG 4.18Å
139	I	94.3	Very high	90.1	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.041	20%	0.196	C	C	.	.			trans	-114.6	119.8	-179.6	-56.5	-63.6	0	0	0	108.8	L120 E137 G142 L191 V192 R193 V199	L120-I139 HydrophobicContact CD1-CD1 3.94Å; L120-I139 HydrophobicContact CD1-CG1 3.64Å; E137-I139 HydrophobicContact CG-CD1 3.88Å; E137-I139 HydrophobicContact CG-CG1 4.5Å; I139-G142 PolarHBondContact O-N 2.87Å; I139-L191 HydrophobicContact CB-CB 3.88Å; I139-L191 HydrophobicContact CB-CD1 4.14Å; I139-L191 HydrophobicContact CG1-CB 4Å; I139-L191 HydrophobicContact CG1-CD1 3.9Å; I139-L191 HydrophobicContact CG2-CB 3.63Å; I139-V192 WeakPolarHBondContact CG2-O 3.44Å; I139-R193 HydrophobicContact CD1-CG 3.98Å; I139-R193 HydrophobicContact CG2-CG 4.22Å; I139-V199 HydrophobicContact CD1-CG2 3.87Å; I139-V199 HydrophobicContact CG1-CG2 3.92Å
140	E	91.3	Very high	90.7	Very high	89 Å²	89	36 Å²	36	42%	0.416	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-42.2	-159.7	-63.4	82.9	178.8	0	0	114.5	Y138 G142 Q194	Y138-E140 HydrophobicContact CD1-CG 4.49Å; Y138-E140 HydrophobicContact CE1-CB 4.48Å; Y138-E140 HydrophobicContact CE1-CG 4.18Å; E140-G142 PolarHBondContact O-N 2.73Å; E140-Q194 PolarHBondContact OE2-N 3.01Å
141	K	94.2	Very high	91.4	Very high	40 Å²	40	31 Å²	31	17%	0.174	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.1	-176.6	-56.8	-178.3	173.3	154.4	0	112.8	L147 V192 R193 Q194 D196	K141-L147 HydrophobicContact CB-CD1 4.22Å; K141-L147 HydrophobicContact CB-CD2 4.13Å; K141-L147 HydrophobicContact CD-CD2 4.26Å; K141-L147 WeakPolarHBondContact O-CD1 3.38Å; K141-V192 HydrophobicContact CB-CB 4.19Å; K141-V192 VanDerWaalsContact CB-O 3.23Å; K141-V192 WeakPolarHBondContact CB-O 3.45Å; K141-V192 HydrophobicContact CD-CG1 4.07Å; K141-V192 PolarHBondContact N-O 2.79Å; K141-R193 WeakPolarHBondContact CD-O 3.23Å; K141-R193 PolarHBondContact NZ-O 2.66Å; K141-Q194 VanDerWaalsContact CE-O 3.27Å; K141-Q194 WeakPolarHBondContact CE-O 3.36Å; K141-Q194 PolarHBondContact NZ-O 3.41Å; K141-D196 IonicContact NZ-OD1 3.37Å; K141-D196 PolarHBondContact NZ-OD1 3.39Å; K141-D196 IonicContact NZ-OD2 3.77Å
142	G	93.3	Very high	92.2	Very high	27 Å²	27	37 Å²	37	28%	0.278	19%	0.193	S	C	.	.			trans	72.1	-148.8	-179.1	0	0	0	0	0	112.7	I139 E140 L191 V192	I139-G142 PolarHBondContact O-N 2.87Å; E140-G142 PolarHBondContact O-N 2.73Å; G142-L191 CarbonylContact O-C 3.6Å; G142-L191 VanDerWaalsContact O-CA 3.32Å; G142-L191 WeakPolarHBondContact O-CA 3.38Å; G142-V192 PolarHBondContact O-N 3.44Å
143	S	95.1	Very high	92.9	Very high	19 Å²	19	44 Å²	44	13%	0.133	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-76.6	142.2	-173.5	68.1	0	0	0	0	113.3	H145 S146 L147 C190	S143-H145 PolarHBondContact O-N 3Å; S143-S146 PolarHBondContact O-N 3.36Å; S143-S146 VanDerWaalsContact O-N 3.11Å; S143-S146 PolarHBondContact OG-N 3.21Å; S143-S146 PolarHBondContact OG-OG 3.35Å; S143-L147 PolarHBondContact O-N 3.32Å; S143-C190 CarbonylContact C-O 3.55Å; S143-C190 WeakPolarHBondContact CA-O 3.26Å
144	L	97.2	Very high	93.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-28.9	173	-177.8	59.1	0	0	0	111.2	L147 C148 F156 F164 I168 T187 C190 V192 L297	L144-L147 PolarHBondContact O-N 3.15Å; L144-C148 WeakPolarHBondContact O-CB 3.26Å; L144-C148 PolarHBondContact O-N 3.11Å; L144-F156 HydrophobicContact CD1-CE2 4.39Å; L144-F156 HydrophobicContact CD1-CZ 4.23Å; L144-F164 HydrophobicContact CD1-CD2 3.95Å; L144-F164 HydrophobicContact CD1-CE2 4.02Å; L144-F164 HydrophobicContact CD1-CG 4.27Å; L144-F164 HydrophobicContact CD1-CZ 4.33Å; L144-I168 HydrophobicContact CD2-CD1 3.73Å; L144-T187 PolarHBondContact N-O 3.2Å; L144-C190 HydrophobicContact CB-CB 3.95Å; L144-C190 WeakPolarHBondContact CB-O 3.23Å; L144-C190 HydrophobicContact CD2-CB 4.09Å; L144-C190 PolarHBondContact N-O 3.1Å; L144-V192 HydrophobicContact CB-CG2 3.91Å; L144-V192 HydrophobicContact CD1-CG2 3.86Å; L144-V192 HydrophobicContact CG-CG2 4.45Å; L144-L297 HydrophobicContact CD1-CD2 4.08Å; L144-L297 HydrophobicContact CD2-CD1 4.47Å; L144-L297 HydrophobicContact CD2-CD2 4.08Å; L144-L297 HydrophobicContact CG-CD2 4.14Å
145	H	95.5	Very high	93.7	Very high	30 Å²	30	51 Å²	51	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-50.2	173.4	-171.2	70.6	0	0	0	112.2	S143 L147 C148 L149 T187 N188 N302	S143-H145 PolarHBondContact O-N 3Å; H145-L147 VanDerWaalsContact C-N 3.31Å; H145-L147 PolarHBondContact O-N 3.02Å; H145-C148 WeakPolarHBondContact O-CB 3.4Å; H145-C148 PolarHBondContact O-N 2.87Å; H145-C148 VanDerWaalsContact O-N 3.13Å; H145-L149 WeakPolarHBondContact NE2-CD1 3.13Å; H145-L149 PolarHBondContact O-N 3.36Å; H145-L149 VanDerWaalsContact O-N 3.08Å; H145-T187 WeakPolarHBondContact CB-OG1 3.47Å; H145-T187 PolarHBondContact N-O 3.18Å; H145-T187 PolarHBondContact ND1-OG1 3.07Å; H145-N188 WeakPolarHBondContact CB-OD1 3.39Å; H145-N188 PolarHBondContact CD2-OD1 3.21Å; H145-N302 PolarHBondContact CE1-OD1 3.11Å
146	S	94.6	Very high	94	Very high	63 Å²	63	52.5 Å²	52.5	44%	0.441	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-41	179.5	-55.7	0	0	0	0	111.1	S143 C148 D150	S143-S146 PolarHBondContact O-N 3.36Å; S143-S146 VanDerWaalsContact O-N 3.11Å; S143-S146 PolarHBondContact OG-N 3.21Å; S143-S146 PolarHBondContact OG-OG 3.35Å; S146-C148 VanDerWaalsContact C-N 3.35Å; S146-D150 WeakPolarHBondContact O-CB 3.1Å; S146-D150 PolarHBondContact O-N 3.41Å; S146-D150 VanDerWaalsContact O-N 3.15Å
147	L	96.4	Very high	94.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-35.3	175.4	-86.7	60	0	0	0	112.3	K141 S143 L144 H145 Y154 F156 V192 R300	K141-L147 HydrophobicContact CB-CD1 4.22Å; K141-L147 HydrophobicContact CB-CD2 4.13Å; K141-L147 HydrophobicContact CD-CD2 4.26Å; K141-L147 WeakPolarHBondContact O-CD1 3.38Å; S143-L147 PolarHBondContact O-N 3.32Å; L144-L147 PolarHBondContact O-N 3.15Å; H145-L147 VanDerWaalsContact C-N 3.31Å; H145-L147 PolarHBondContact O-N 3.02Å; L147-Y154 HydrophobicContact CB-CD2 4.17Å; L147-Y154 HydrophobicContact CB-CE2 4.45Å; L147-Y154 HydrophobicContact CB-CG 4.45Å; L147-Y154 HydrophobicContact CD1-CD2 4.41Å; L147-Y154 HydrophobicContact CD1-CE2 3.84Å; L147-Y154 HydrophobicContact CG-CD1 4.23Å; L147-Y154 HydrophobicContact CG-CD2 3.84Å; L147-Y154 HydrophobicContact CG-CE1 4.13Å; L147-Y154 HydrophobicContact CG-CE2 3.73Å; L147-Y154 HydrophobicContact CG-CG 4.07Å; L147-F156 HydrophobicContact CB-CZ 4.11Å; L147-V192 HydrophobicContact CD2-CB 3.76Å; L147-V192 HydrophobicContact CD2-CG1 3.9Å; L147-V192 HydrophobicContact CD2-CG2 3.76Å; L147-R300 VanDerWaalsContact O-CZ 3.28Å; L147-R300 PolarHBondContact O-NH1 3.44Å; L147-R300 PolarHBondContact O-NH2 3.26Å
148	C	96.1	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-43.5	179.3	-169.2	0	0	0	0	112	L144 H145 S146 Q296 R300	L144-C148 WeakPolarHBondContact O-CB 3.26Å; L144-C148 PolarHBondContact O-N 3.11Å; H145-C148 WeakPolarHBondContact O-CB 3.4Å; H145-C148 PolarHBondContact O-N 2.87Å; H145-C148 VanDerWaalsContact O-N 3.13Å; S146-C148 VanDerWaalsContact C-N 3.35Å; C148-Q296 PolarHBondContact SG-O 2.92Å; C148-Q296 VanDerWaalsContact SG-O 3.34Å; C148-R300 PolarHBondContact O-NE 3.13Å; C148-R300 PolarHBondContact O-NH1 2.82Å; C148-R300 PolarHBondContact O-NH2 2.73Å
149	L	95	Very high	94.3	Very high	71 Å²	71	59 Å²	59	37%	0.372	30%	0.301	S	S	.	.	H	α-helix	trans	-83.7	-28.2	-175.8	-61.7	-175.3	0	0	0	113	H145 K151 N302	H145-L149 WeakPolarHBondContact NE2-CD1 3.13Å; H145-L149 PolarHBondContact O-N 3.36Å; H145-L149 VanDerWaalsContact O-N 3.08Å; L149-K151 PolarHBondContact O-N 3.18Å; L149-N302 HydrophobicContact CD2-CB 4.31Å
150	D	94.4	Very high	94.3	Very high	34 Å²	34	60.4 Å²	60.4	18%	0.182	31%	0.307	C	S	.	.			trans	-84.3	81.7	179.4	-163.8	-33.3	0	0	0	112.2	S146 I152 R153 Y154 R300	S146-D150 WeakPolarHBondContact O-CB 3.1Å; S146-D150 PolarHBondContact O-N 3.41Å; S146-D150 VanDerWaalsContact O-N 3.15Å; D150-I152 PolarHBondContact O-N 3.4Å; D150-I152 PolarHBondContact OD1-N 2.77Å; D150-R153 PolarHBondContact OD1-N 3.21Å; D150-R153 IonicContact OD1-NE 3.73Å; D150-R153 IonicContact OD2-CZ 2.64Å; D150-R153 IonicContact OD2-NE 3.96Å; D150-R153 PolarHBondContact OD2-NE 2.84Å; D150-R153 IonicContact OD2-NH2 3.08Å; D150-R153 PolarHBondContact OD2-NH2 3.15Å; D150-Y154 HydrophobicContact CB-CD2 4.1Å; D150-Y154 PolarHBondContact O-N 2.83Å; D150-Y154 VanDerWaalsContact O-N 3.11Å; D150-R300 PolarHBondContact O-NH2 3.2Å
151	K	92.7	Very high	94.6	Very high	125 Å²	125	56.5 Å²	56.5	54%	0.543	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.9	177.6	-53.4	-174.7	-169.5	-163.5	0	113.7	L149 R300	L149-K151 PolarHBondContact O-N 3.18Å; K151-R300 HydrophobicContact CD-CB 4.31Å; K151-R300 WeakPolarHBondContact CE-O 3.36Å; K151-R300 HydrophobicContact CG-CB 4.48Å; K151-R300 PolarHBondContact NZ-O 3.48Å
152	I	93.1	Very high	94.7	Very high	166 Å²	166	54.6 Å²	54.6	85%	0.851	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-48	-177.9	-60.2	173.9	0	0	0	109.5	D150	D150-I152 PolarHBondContact O-N 3.4Å; D150-I152 PolarHBondContact OD1-N 2.77Å
153	R	93.3	Very high	94.8	Very high	173 Å²	173	54.5 Å²	54.5	65%	0.653	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-28.3	-179.3	-69.8	-171	-71.5	170.6	-1.1	113.2	D150	D150-R153 PolarHBondContact OD1-N 3.21Å; D150-R153 IonicContact OD1-NE 3.73Å; D150-R153 IonicContact OD2-CZ 2.64Å; D150-R153 IonicContact OD2-NE 3.96Å; D150-R153 PolarHBondContact OD2-NE 2.84Å; D150-R153 IonicContact OD2-NH2 3.08Å; D150-R153 PolarHBondContact OD2-NH2 3.15Å
154	Y	93.2	Very high	95	Very high	55 Å²	55	53.6 Å²	53.6	22%	0.216	27%	0.268	C	S	.	.			trans	-127.4	115.1	-174.3	-54.8	-73.2	0	0	0	112.1	L147 D150 R300	L147-Y154 HydrophobicContact CB-CD2 4.17Å; L147-Y154 HydrophobicContact CB-CE2 4.45Å; L147-Y154 HydrophobicContact CB-CG 4.45Å; L147-Y154 HydrophobicContact CD1-CD2 4.41Å; L147-Y154 HydrophobicContact CD1-CE2 3.84Å; L147-Y154 HydrophobicContact CG-CD1 4.23Å; L147-Y154 HydrophobicContact CG-CD2 3.84Å; L147-Y154 HydrophobicContact CG-CE1 4.13Å; L147-Y154 HydrophobicContact CG-CE2 3.73Å; L147-Y154 HydrophobicContact CG-CG 4.07Å; D150-Y154 HydrophobicContact CB-CD2 4.1Å; D150-Y154 PolarHBondContact O-N 2.83Å; D150-Y154 VanDerWaalsContact O-N 3.11Å; Y154-R300 PolarHBondContact O-NH2 3.33Å; Y154-R300 VanDerWaalsContact O-NH2 3.07Å
155	S	92.8	Very high	95	Very high	105 Å²	105	53.6 Å²	53.6	73%	0.734	27%	0.268	S	S	*	.			trans	-92.4	131.6	168.7	59.2	0	0	0	0	110.4
156	F	94	Very high	95.2	Very high	32 Å²	32	54.2 Å²	54.2	14%	0.14	27%	0.269	C	S	.	.			trans	-111.9	120.8	174.5	-70.9	7.8	0	0	0	108.8	L144 L147 K160 I161 F164 L297 R300	L144-F156 HydrophobicContact CD1-CE2 4.39Å; L144-F156 HydrophobicContact CD1-CZ 4.23Å; L147-F156 HydrophobicContact CB-CZ 4.11Å; F156-K160 HydrophobicContact CD1-CD 4.02Å; F156-K160 HydrophobicContact CD1-CG 4.28Å; F156-K160 HydrophobicContact CG-CG 4.48Å; F156-I161 HydrophobicContact CB-CD1 4.31Å; F156-I161 HydrophobicContact CB-CG1 3.97Å; F156-I161 HydrophobicContact CD2-CG1 4.14Å; F156-F164 HydrophobicContact CD1-CE2 4.06Å; F156-F164 HydrophobicContact CD2-CD2 4.28Å; F156-F164 AromaticContact CD2-CE2 3.99Å; F156-F164 HydrophobicContact CD2-CE2 3.99Å; F156-F164 AromaticContact CE1-CE2 3.59Å; F156-F164 HydrophobicContact CE1-CE2 3.59Å; F156-F164 HydrophobicContact CE1-CZ 4.15Å; F156-F164 AromaticContact CE2-CD2 3.84Å; F156-F164 HydrophobicContact CE2-CD2 3.84Å; F156-F164 AromaticContact CE2-CE2 3.47Å; F156-F164 HydrophobicContact CE2-CE2 3.47Å; F156-F164 VanDerWaalsContact CE2-CE2 3.47Å; F156-F164 HydrophobicContact CG-CE2 4.28Å; F156-F164 HydrophobicContact CZ-CD2 4.09Å; F156-F164 AromaticContact CZ-CE2 3.27Å; F156-F164 HydrophobicContact CZ-CE2 3.27Å; F156-F164 HydrophobicContact CZ-CZ 4.04Å; F156-L297 HydrophobicContact CD2-CD2 4.39Å; F156-L297 HydrophobicContact CE2-CD2 3.8Å; F156-R300 VanDerWaalsContact CG-NH1 3.31Å
157	D	93.8	Very high	95.3	Very high	94 Å²	94	51.2 Å²	51.2	50%	0.503	25%	0.249	S	C	.	.			trans	-89.6	175.5	162.1	66.3	11	0	0	0	110	I159 K160 I161	D157-I159 VanDerWaalsContact C-N 3.29Å; D157-I159 PolarHBondContact O-N 3.04Å; D157-I159 PolarHBondContact OD1-N 2.91Å; D157-K160 PolarHBondContact O-N 2.94Å; D157-K160 WeakPolarHBondContact OD1-CB 3.25Å; D157-K160 PolarHBondContact OD1-N 3.18Å; D157-I161 WeakPolarHBondContact O-CG1 3.4Å; D157-I161 PolarHBondContact O-N 3.5Å
158	W	94.8	Very high	95.4	Very high	36 Å²	36	51.1 Å²	51.1	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-36.4	-179.1	-68.3	120.6	0	0	0	112.9	K160 I161 I162 I298 P329 N331 T332 P333 L336 L368	W158-K160 VanDerWaalsContact C-N 3.31Å; W158-K160 PolarHBondContact O-N 3.14Å; W158-I161 HydrophobicContact CE3-CD1 3.8Å; W158-I161 HydrophobicContact CZ3-CD1 3.79Å; W158-I161 PolarHBondContact O-N 3.38Å; W158-I162 HydrophobicContact CB-CD1 4.45Å; W158-I162 WeakPolarHBondContact O-CB 3.4Å; W158-I162 VanDerWaalsContact O-CD1 3.26Å; W158-I162 WeakPolarHBondContact O-CD1 3.16Å; W158-I162 WeakPolarHBondContact O-CG1 3.47Å; W158-I162 PolarHBondContact O-N 2.95Å; W158-I298 HydrophobicContact CH2-CG2 4.24Å; W158-I298 HydrophobicContact CZ3-CG1 4.23Å; W158-I298 HydrophobicContact CZ3-CG2 4.45Å; W158-P329 HydrophobicContact CH2-CB 3.87Å; W158-P329 HydrophobicContact CH2-CG 4.15Å; W158-P329 HydrophobicContact CZ2-CB 3.66Å; W158-P329 HydrophobicContact CZ2-CG 4.36Å; W158-N331 PolarHBondContact NE1-ND2 3.47Å; W158-N331 PolarHBondContact NE1-O 3.37Å; W158-N331 VanDerWaalsContact NE1-O 3.16Å; W158-T332 HydrophobicContact CH2-CG2 3.86Å; W158-T332 WeakPolarHBondContact CH2-OG1 3.2Å; W158-T332 VanDerWaalsContact CZ2-CA 3.41Å; W158-T332 HydrophobicContact CZ3-CG2 4.1Å; W158-P333 HydrophobicContact CB-CG 4.42Å; W158-P333 HydrophobicContact CD2-CG 4.15Å; W158-P333 HydrophobicContact CE3-CG 4.41Å; W158-P333 HydrophobicContact CG-CG 4.13Å; W158-L336 HydrophobicContact CE3-CD2 3.87Å; W158-L336 HydrophobicContact CZ3-CD2 3.87Å; W158-L368 HydrophobicContact CB-CD1 3.58Å
159	I	94.4	Very high	95.5	Very high	69 Å²	69	51.1 Å²	51.1	35%	0.354	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-44.4	177.8	-63.6	174.4	0	0	0	109.3	D157 I162 T163 L365 L368 L369	D157-I159 VanDerWaalsContact C-N 3.29Å; D157-I159 PolarHBondContact O-N 3.04Å; D157-I159 PolarHBondContact OD1-N 2.91Å; I159-I162 PolarHBondContact O-N 3.2Å; I159-T163 HydrophobicContact CG2-CG2 4.37Å; I159-T163 WeakPolarHBondContact O-CB 3.12Å; I159-T163 VanDerWaalsContact O-CG2 3.27Å; I159-T163 WeakPolarHBondContact O-CG2 3.46Å; I159-T163 PolarHBondContact O-N 3.41Å; I159-T163 PolarHBondContact O-OG1 2.8Å; I159-L365 HydrophobicContact CG2-CD2 3.99Å; I159-L368 HydrophobicContact CG1-CD1 4.36Å; I159-L369 HydrophobicContact CD1-CD2 4.19Å
160	K	94.9	Very high	95.7	Very high	38 Å²	38	49.1 Å²	49.1	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-43.9	177.1	-170.8	154.8	-173.4	157.9	0	112.7	F156 D157 W158 I162 T163 F164 D196	F156-K160 HydrophobicContact CD1-CD 4.02Å; F156-K160 HydrophobicContact CD1-CG 4.28Å; F156-K160 HydrophobicContact CG-CG 4.48Å; D157-K160 PolarHBondContact O-N 2.94Å; D157-K160 WeakPolarHBondContact OD1-CB 3.25Å; D157-K160 PolarHBondContact OD1-N 3.18Å; W158-K160 VanDerWaalsContact C-N 3.31Å; W158-K160 PolarHBondContact O-N 3.14Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-I162 PolarHBondContact O-N 2.95Å; K160-T163 VanDerWaalsContact CA-OG1 3.27Å; K160-T163 WeakPolarHBondContact CA-OG1 3.27Å; K160-T163 PolarHBondContact O-N 3.25Å; K160-T163 PolarHBondContact O-OG1 2.9Å; K160-F164 HydrophobicContact CD-CE2 4.18Å; K160-F164 HydrophobicContact CD-CZ 4.15Å; K160-F164 HydrophobicContact CG-CD2 4.09Å; K160-F164 HydrophobicContact CG-CE1 4.4Å; K160-F164 HydrophobicContact CG-CE2 3.48Å; K160-F164 VanDerWaalsContact CG-CE2 3.48Å; K160-F164 HydrophobicContact CG-CZ 3.73Å; K160-F164 VanDerWaalsContact O-CD2 3.25Å; K160-F164 WeakPolarHBondContact O-CD2 3.45Å; K160-F164 VanDerWaalsContact O-CG 3.25Å; K160-F164 WeakPolarHBondContact O-CG 3.39Å; K160-F164 PolarHBondContact O-N 3.18Å; K160-D196 IonicContact NZ-OD1 2.81Å; K160-D196 PolarHBondContact NZ-OD1 3.17Å; K160-D196 IonicContact NZ-OD2 3.7Å; K160-D196 PolarHBondContact NZ-OD2 3.35Å
161	I	96.8	Very high	95.8	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-46.2	175.3	-69.6	168.4	0	0	0	111	F156 D157 W158 G165 M294 L297 L336	F156-I161 HydrophobicContact CB-CD1 4.31Å; F156-I161 HydrophobicContact CB-CG1 3.97Å; F156-I161 HydrophobicContact CD2-CG1 4.14Å; D157-I161 WeakPolarHBondContact O-CG1 3.4Å; D157-I161 PolarHBondContact O-N 3.5Å; W158-I161 HydrophobicContact CE3-CD1 3.8Å; W158-I161 HydrophobicContact CZ3-CD1 3.79Å; W158-I161 PolarHBondContact O-N 3.38Å; I161-G165 PolarHBondContact O-N 3.29Å; I161-M294 HydrophobicContact CG2-CE 4.35Å; I161-L297 WeakPolarHBondContact CD1-O 3.46Å; I161-L297 HydrophobicContact CG2-CB 3.96Å; I161-L336 HydrophobicContact CG2-CD2 4.24Å
162	I	97.1	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-38.4	-177.2	-64.8	159.4	0	0	0	111.1	W158 I159 K160 G165 R166 L336 L361 C364 L365 L368	W158-I162 HydrophobicContact CB-CD1 4.45Å; W158-I162 WeakPolarHBondContact O-CB 3.4Å; W158-I162 VanDerWaalsContact O-CD1 3.26Å; W158-I162 WeakPolarHBondContact O-CD1 3.16Å; W158-I162 WeakPolarHBondContact O-CG1 3.47Å; W158-I162 PolarHBondContact O-N 2.95Å; I159-I162 PolarHBondContact O-N 3.2Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-I162 PolarHBondContact O-N 2.95Å; I162-G165 PolarHBondContact O-N 3Å; I162-R166 VanDerWaalsContact O-CB 3.32Å; I162-R166 WeakPolarHBondContact O-CB 3.47Å; I162-R166 PolarHBondContact O-N 2.8Å; I162-L336 HydrophobicContact CG1-CD1 4.34Å; I162-L336 HydrophobicContact CG1-CD2 4.21Å; I162-L361 HydrophobicContact CB-CD2 4.46Å; I162-L361 HydrophobicContact CG2-CB 3.92Å; I162-L361 HydrophobicContact CG2-CD2 3.76Å; I162-L361 HydrophobicContact CG2-CG 4.46Å; I162-L361 VanDerWaalsContact CG2-O 3.3Å; I162-L361 WeakPolarHBondContact CG2-O 3.46Å; I162-C364 HydrophobicContact CD1-CB 4.04Å; I162-C364 WeakPolarHBondContact CD1-SG 3.2Å; I162-C364 HydrophobicContact CG2-CB 4.48Å; I162-L365 HydrophobicContact CB-CD2 4.24Å; I162-L365 HydrophobicContact CB-CG 4.25Å; I162-L365 HydrophobicContact CG2-CD1 3.88Å; I162-L365 HydrophobicContact CG2-CD2 4.05Å; I162-L365 HydrophobicContact CG2-CG 3.52Å; I162-L368 HydrophobicContact CD1-CD1 3.33Å; I162-L368 HydrophobicContact CD1-CG 4.48Å
163	T	96.4	Very high	96.2	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.16	17%	0.169	C	C	.	.	H	α-helix	trans	-66.6	-41.1	176.4	47.1	0	0	0	0	112.1	I159 K160 R166 D167 L365	I159-T163 HydrophobicContact CG2-CG2 4.37Å; I159-T163 WeakPolarHBondContact O-CB 3.12Å; I159-T163 VanDerWaalsContact O-CG2 3.27Å; I159-T163 WeakPolarHBondContact O-CG2 3.46Å; I159-T163 PolarHBondContact O-N 3.41Å; I159-T163 PolarHBondContact O-OG1 2.8Å; K160-T163 VanDerWaalsContact CA-OG1 3.27Å; K160-T163 WeakPolarHBondContact CA-OG1 3.27Å; K160-T163 PolarHBondContact O-N 3.25Å; K160-T163 PolarHBondContact O-OG1 2.9Å; T163-R166 PolarHBondContact O-N 3.29Å; T163-D167 WeakPolarHBondContact O-CB 3.27Å; T163-D167 PolarHBondContact O-N 2.97Å; T163-L365 HydrophobicContact CG2-CD1 4.41Å; T163-L365 HydrophobicContact CG2-CD2 4.19Å
164	F	97.9	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-48.5	170.2	-68.7	-29.2	0	0	0	112	L144 F156 K160 R166 D167 I168 V192 D196 V198 L297	L144-F164 HydrophobicContact CD1-CD2 3.95Å; L144-F164 HydrophobicContact CD1-CE2 4.02Å; L144-F164 HydrophobicContact CD1-CG 4.27Å; L144-F164 HydrophobicContact CD1-CZ 4.33Å; F156-F164 HydrophobicContact CD1-CE2 4.06Å; F156-F164 HydrophobicContact CD2-CD2 4.28Å; F156-F164 AromaticContact CD2-CE2 3.99Å; F156-F164 HydrophobicContact CD2-CE2 3.99Å; F156-F164 AromaticContact CE1-CE2 3.59Å; F156-F164 HydrophobicContact CE1-CE2 3.59Å; F156-F164 HydrophobicContact CE1-CZ 4.15Å; F156-F164 AromaticContact CE2-CD2 3.84Å; F156-F164 HydrophobicContact CE2-CD2 3.84Å; F156-F164 AromaticContact CE2-CE2 3.47Å; F156-F164 HydrophobicContact CE2-CE2 3.47Å; F156-F164 VanDerWaalsContact CE2-CE2 3.47Å; F156-F164 HydrophobicContact CG-CE2 4.28Å; F156-F164 HydrophobicContact CZ-CD2 4.09Å; F156-F164 AromaticContact CZ-CE2 3.27Å; F156-F164 HydrophobicContact CZ-CE2 3.27Å; F156-F164 HydrophobicContact CZ-CZ 4.04Å; K160-F164 HydrophobicContact CD-CE2 4.18Å; K160-F164 HydrophobicContact CD-CZ 4.15Å; K160-F164 HydrophobicContact CG-CD2 4.09Å; K160-F164 HydrophobicContact CG-CE1 4.4Å; K160-F164 HydrophobicContact CG-CE2 3.48Å; K160-F164 VanDerWaalsContact CG-CE2 3.48Å; K160-F164 HydrophobicContact CG-CZ 3.73Å; K160-F164 VanDerWaalsContact O-CD2 3.25Å; K160-F164 WeakPolarHBondContact O-CD2 3.45Å; K160-F164 VanDerWaalsContact O-CG 3.25Å; K160-F164 WeakPolarHBondContact O-CG 3.39Å; K160-F164 PolarHBondContact O-N 3.18Å; F164-R166 VanDerWaalsContact C-N 3.31Å; F164-R166 PolarHBondContact O-N 3.06Å; F164-D167 PolarHBondContact O-N 2.91Å; F164-I168 VanDerWaalsContact O-CG1 3.3Å; F164-I168 WeakPolarHBondContact O-CG1 3.27Å; F164-I168 PolarHBondContact O-N 2.81Å; F164-I168 VanDerWaalsContact O-N 3.08Å; F164-V192 HydrophobicContact CE1-CG1 3.99Å; F164-V192 HydrophobicContact CZ-CG1 4.43Å; F164-D196 HydrophobicContact CE1-CB 4.06Å; F164-D196 WeakPolarHBondContact CE1-O 3.36Å; F164-V198 HydrophobicContact CB-CG2 4.1Å; F164-V198 HydrophobicContact CD1-CG2 3.3Å; F164-V198 HydrophobicContact CE1-CG2 3.96Å; F164-V198 HydrophobicContact CG-CG2 4.02Å; F164-L297 HydrophobicContact CB-CD1 4.17Å; F164-L297 HydrophobicContact CD2-CD2 4.48Å
165	G	98.4	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-42.8	176.3	0	0	0	0	0	112.4	I161 I162 I168 A169 F290	I161-G165 PolarHBondContact O-N 3.29Å; I162-G165 PolarHBondContact O-N 3Å; G165-I168 PolarHBondContact O-N 3.22Å; G165-A169 VanDerWaalsContact O-CB 3.28Å; G165-A169 WeakPolarHBondContact O-CB 3.4Å; G165-A169 PolarHBondContact O-N 3.5Å; G165-F290 WeakPolarHBondContact O-CE2 3.27Å
166	R	98.2	Very high	96.3	Very high	42 Å²	42	21.2 Å²	21.2	16%	0.158	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-44.6	-179.7	-178.8	-175.2	176.8	-101.8	3.1	111.2	I162 T163 F164 A169 S170 L361 E362	I162-R166 VanDerWaalsContact O-CB 3.32Å; I162-R166 WeakPolarHBondContact O-CB 3.47Å; I162-R166 PolarHBondContact O-N 2.8Å; T163-R166 PolarHBondContact O-N 3.29Å; F164-R166 VanDerWaalsContact C-N 3.31Å; F164-R166 PolarHBondContact O-N 3.06Å; R166-A169 PolarHBondContact O-N 2.77Å; R166-S170 VanDerWaalsContact O-CB 3.28Å; R166-S170 WeakPolarHBondContact O-CB 3.1Å; R166-S170 PolarHBondContact O-N 3.45Å; R166-L361 HydrophobicContact CB-CB 4.35Å; R166-L361 HydrophobicContact CB-CD1 4.39Å; R166-E362 IonicContact CZ-OE1 2.71Å; R166-E362 VanDerWaalsContact CZ-OE1 3.27Å; R166-E362 IonicContact NE-OE1 2.92Å; R166-E362 PolarHBondContact NE-OE1 3.18Å; R166-E362 IonicContact NH2-OE1 2.65Å; R166-E362 PolarHBondContact NH2-OE1 3.02Å
167	D	98	Very high	96.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-46.1	179.7	-80.9	13.6	0	0	0	111.5	R43 N118 T163 F164 S170 G171 S197 V198	R43-D167 IonicContact CZ-OD1 2.67Å; R43-D167 IonicContact CZ-OD2 3.69Å; R43-D167 IonicContact NH1-OD1 3.57Å; R43-D167 PolarHBondContact NH1-OD1 2.92Å; R43-D167 IonicContact NH1-OD2 2.66Å; R43-D167 PolarHBondContact NH1-OD2 3.17Å; R43-D167 IonicContact NH2-OD1 2.66Å; R43-D167 PolarHBondContact NH2-OD1 3.5Å; R43-D167 IonicContact NH2-OD2 3.25Å; N118-D167 WeakPolarHBondContact CB-O 3.39Å; N118-D167 VanDerWaalsContact ND2-CB 3.27Å; N118-D167 WeakPolarHBondContact ND2-CB 3.43Å; N118-D167 PolarHBondContact ND2-OD2 3.18Å; T163-D167 WeakPolarHBondContact O-CB 3.27Å; T163-D167 PolarHBondContact O-N 2.97Å; F164-D167 PolarHBondContact O-N 2.91Å; D167-S170 PolarHBondContact O-N 3.26Å; D167-G171 PolarHBondContact O-N 3.46Å; D167-S197 VanDerWaalsContact OD2-CA 3.31Å; D167-S197 WeakPolarHBondContact OD2-CA 3.3Å; D167-S197 WeakPolarHBondContact OD2-CB 3.32Å; D167-V198 HydrophobicContact CB-CB 3.83Å; D167-V198 HydrophobicContact CB-CG2 4.32Å; D167-V198 PolarHBondContact OD2-N 2.84Å
168	I	98.6	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-48.3	175.2	-63.4	165.6	0	0	0	110.4	L144 F164 G165 S170 G171 M172 L185 C190 V198 V200 F290 I293	L144-I168 HydrophobicContact CD2-CD1 3.73Å; F164-I168 VanDerWaalsContact O-CG1 3.3Å; F164-I168 WeakPolarHBondContact O-CG1 3.27Å; F164-I168 PolarHBondContact O-N 2.81Å; F164-I168 VanDerWaalsContact O-N 3.08Å; G165-I168 PolarHBondContact O-N 3.22Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 PolarHBondContact O-N 2.77Å; I168-G171 PolarHBondContact O-N 3.39Å; I168-M172 HydrophobicContact CG2-CG 4.38Å; I168-M172 WeakPolarHBondContact O-CG 3.28Å; I168-M172 PolarHBondContact O-N 3.43Å; I168-L185 HydrophobicContact CG2-CD1 4.3Å; I168-L185 HydrophobicContact CG2-CD2 4.45Å; I168-C190 HydrophobicContact CD1-CB 4.29Å; I168-C190 HydrophobicContact CG1-CB 4.47Å; I168-V198 HydrophobicContact CD1-CG1 4.24Å; I168-V198 HydrophobicContact CG1-CB 4.27Å; I168-V198 HydrophobicContact CG1-CG1 3.65Å; I168-V200 HydrophobicContact CG2-CG2 4.11Å; I168-F290 HydrophobicContact CB-CD2 4.37Å; I168-F290 HydrophobicContact CB-CE2 4.13Å; I168-F290 HydrophobicContact CG2-CD2 3.78Å; I168-F290 HydrophobicContact CG2-CE2 4.06Å; I168-I293 HydrophobicContact CD1-CG2 4Å
169	A	98.6	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-38.5	179	0	0	0	0	0	112	G165 R166 M172 A173 F290 F354 C357 I358 L361	G165-A169 VanDerWaalsContact O-CB 3.28Å; G165-A169 WeakPolarHBondContact O-CB 3.4Å; G165-A169 PolarHBondContact O-N 3.5Å; R166-A169 PolarHBondContact O-N 2.77Å; A169-M172 PolarHBondContact O-N 3.31Å; A169-A173 WeakPolarHBondContact O-CB 3.28Å; A169-A173 PolarHBondContact O-N 3Å; A169-F290 HydrophobicContact CB-CE2 4.17Å; A169-F290 HydrophobicContact CB-CZ 4.04Å; A169-F354 HydrophobicContact CB-CD1 3.87Å; A169-C357 HydrophobicContact CB-CB 4.29Å; A169-I358 HydrophobicContact CB-CG1 3.73Å; A169-L361 HydrophobicContact CB-CD1 4.32Å
170	S	98	Very high	95.1	Very high	28 Å²	28	28.1 Å²	28.1	20%	0.196	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-45.8	175.8	-172.8	0	0	0	0	112.2	H116 R166 D167 I168 A173 Y174	H116-S170 PolarHBondContact CE1-O 2.87Å; H116-S170 PolarHBondContact CE1-OG 2.86Å; H116-S170 PolarHBondContact NE2-OG 3.34Å; R166-S170 VanDerWaalsContact O-CB 3.28Å; R166-S170 WeakPolarHBondContact O-CB 3.1Å; R166-S170 PolarHBondContact O-N 3.45Å; D167-S170 PolarHBondContact O-N 3.26Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 PolarHBondContact O-N 2.77Å; S170-A173 PolarHBondContact O-N 3.38Å; S170-Y174 PolarHBondContact O-N 2.8Å; S170-Y174 VanDerWaalsContact O-N 3.17Å
171	G	96.9	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-47.4	172.8	0	0	0	0	0	112.1	I119 D167 I168 A173 Y174 L175	I119-G171 WeakPolarHBondContact CD1-O 3.42Å; D167-G171 PolarHBondContact O-N 3.46Å; I168-G171 PolarHBondContact O-N 3.39Å; G171-A173 PolarHBondContact O-N 2.85Å; G171-Y174 WeakPolarHBondContact O-CB 3.36Å; G171-Y174 PolarHBondContact O-N 3.13Å; G171-L175 PolarHBondContact O-N 3.29Å
172	M	97.7	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.5	-37.5	-178.8	-70.2	-54.6	-62.5	0	0	113.6	I168 A169 Y174 L175 H176 H182 L185 V200 D286 F354	I168-M172 HydrophobicContact CG2-CG 4.38Å; I168-M172 WeakPolarHBondContact O-CG 3.28Å; I168-M172 PolarHBondContact O-N 3.43Å; A169-M172 PolarHBondContact O-N 3.31Å; M172-Y174 VanDerWaalsContact C-N 3.27Å; M172-Y174 PolarHBondContact O-N 3.47Å; M172-L175 HydrophobicContact CE-CD1 4.47Å; M172-L175 PolarHBondContact O-N 3.13Å; M172-L175 HydrophobicContact SD-CD1 3.85Å; M172-H176 WeakPolarHBondContact O-CB 3.4Å; M172-H176 PolarHBondContact O-N 3.28Å; M172-H182 HydrophobicContact CE-CB 3.48Å; M172-H182 VanDerWaalsContact CE-CB 3.48Å; M172-H182 HydrophobicContact SD-CB 4.12Å; M172-L185 HydrophobicContact CE-CD2 4.13Å; M172-L185 HydrophobicContact CG-CD1 4.31Å; M172-L185 HydrophobicContact CG-CD2 3.81Å; M172-L185 HydrophobicContact SD-CD1 3.9Å; M172-L185 HydrophobicContact SD-CD2 3.98Å; M172-L185 HydrophobicContact SD-CG 4.44Å; M172-V200 HydrophobicContact SD-CG1 4.04Å; M172-D286 HydrophobicContact CE-CB 3.55Å; M172-D286 VanDerWaalsContact CE-OD2 3.3Å; M172-D286 WeakPolarHBondContact CE-OD2 3.45Å; M172-F354 HydrophobicContact CB-CD1 3.74Å; M172-F354 HydrophobicContact CB-CD2 3.55Å; M172-F354 HydrophobicContact CB-CE1 3.59Å; M172-F354 HydrophobicContact CB-CE2 3.42Å; M172-F354 VanDerWaalsContact CB-CE2 3.42Å; M172-F354 HydrophobicContact CB-CG 3.71Å; M172-F354 HydrophobicContact CB-CZ 3.43Å; M172-F354 VanDerWaalsContact CB-CZ 3.43Å; M172-F354 HydrophobicContact CE-CE2 4.08Å; M172-F354 HydrophobicContact CE-CZ 4.28Å; M172-F354 HydrophobicContact CG-CE1 3.97Å; M172-F354 HydrophobicContact CG-CE2 4.08Å; M172-F354 HydrophobicContact CG-CZ 3.7Å
173	A	97	Very high	94.2	Very high	11 Å²	11	27.7 Å²	27.7	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-42.7	171.6	0	0	0	0	0	111	A169 S170 G171 H176 K177 F354 I358	A169-A173 WeakPolarHBondContact O-CB 3.28Å; A169-A173 PolarHBondContact O-N 3Å; S170-A173 PolarHBondContact O-N 3.38Å; G171-A173 PolarHBondContact O-N 2.85Å; A173-H176 PolarHBondContact O-N 3.28Å; A173-K177 WeakPolarHBondContact O-CB 3.17Å; A173-K177 PolarHBondContact O-N 3.13Å; A173-F354 HydrophobicContact CB-CB 3.75Å; A173-I358 HydrophobicContact CB-CD1 3.94Å
174	Y	95.2	Very high	93.9	Very high	40 Å²	40	27.1 Å²	27.1	16%	0.157	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.4	178.1	-92.3	0	0	0	112.4	L114 K115 H116 I119 S170 G171 M172 K177 H178	L114-Y174 HydrophobicContact CB-CE1 4Å; L114-Y174 HydrophobicContact CD2-CE1 3.79Å; L114-Y174 HydrophobicContact CG-CE1 4.47Å; K115-Y174 PolarHBondContact N-OH 2.99Å; K115-Y174 PolarHBondContact O-OH 2.86Å; H116-Y174 HydrophobicContact CB-CD1 3.69Å; H116-Y174 HydrophobicContact CB-CD2 3.96Å; H116-Y174 HydrophobicContact CB-CE1 3.95Å; H116-Y174 HydrophobicContact CB-CE2 4.2Å; H116-Y174 HydrophobicContact CB-CG 3.69Å; H116-Y174 AromaticContact CD2-CD2 3.64Å; H116-Y174 AromaticContact CD2-CG 3.69Å; H116-Y174 AromaticContact CG-CG 3.74Å; I119-Y174 HydrophobicContact CG1-CD1 4.06Å; S170-Y174 PolarHBondContact O-N 2.8Å; S170-Y174 VanDerWaalsContact O-N 3.17Å; G171-Y174 WeakPolarHBondContact O-CB 3.36Å; G171-Y174 PolarHBondContact O-N 3.13Å; M172-Y174 VanDerWaalsContact C-N 3.27Å; M172-Y174 PolarHBondContact O-N 3.47Å; Y174-K177 PolarHBondContact O-N 3.35Å; Y174-H178 AromaticContact CD2-CE1 3.73Å; Y174-H178 AromaticContact CE1-CE1 3.97Å; Y174-H178 AromaticContact CE1-ND1 3.95Å; Y174-H178 AromaticContact CE2-CE1 3.23Å; Y174-H178 WeakPolarHBondContact CE2-CE1 3.45Å; Y174-H178 AromaticContact CE2-ND1 3.89Å; Y174-H178 AromaticContact CZ-CE1 3.36Å; Y174-H178 AromaticContact CZ-ND1 3.82Å; Y174-H178 AromaticContact CZ-NE2 3.93Å; Y174-H178 PolarHBondContact O-N 2.98Å; Y174-H178 PolarHBondContact O-ND1 2.77Å
175	L	93.1	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-45.8	176.9	-71.5	178.9	0	0	0	112.2	L114 I119 G171 M172 K177 H178 D179 V180 F203	L114-L175 HydrophobicContact CD1-CD2 3.97Å; I119-L175 HydrophobicContact CD1-CD1 3.76Å; I119-L175 HydrophobicContact CD1-CD2 4.05Å; I119-L175 HydrophobicContact CD1-CG 3.63Å; I119-L175 HydrophobicContact CG1-CG 4.48Å; G171-L175 PolarHBondContact O-N 3.29Å; M172-L175 HydrophobicContact CE-CD1 4.47Å; M172-L175 PolarHBondContact O-N 3.13Å; M172-L175 HydrophobicContact SD-CD1 3.85Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 2.85Å; L175-H178 CarbonylContact O-C 3.51Å; L175-H178 WeakPolarHBondContact O-CA 3.44Å; L175-H178 PolarHBondContact O-N 3.02Å; L175-D179 PolarHBondContact O-N 3.04Å; L175-V180 CarbonylContact C-O 3.45Å; L175-V180 HydrophobicContact CB-CB 4.14Å; L175-V180 HydrophobicContact CB-CG1 4.49Å; L175-V180 HydrophobicContact CD2-CB 4.24Å; L175-V180 HydrophobicContact CD2-CG1 4.19Å; L175-V180 WeakPolarHBondContact O-CB 3.36Å; L175-V180 PolarHBondContact O-N 3.08Å; L175-F203 HydrophobicContact CD1-CB 3.62Å; L175-F203 HydrophobicContact CD1-CG 4.05Å; L175-F203 HydrophobicContact CD2-CB 4.35Å; L175-F203 HydrophobicContact CD2-CD2 3.92Å; L175-F203 HydrophobicContact CD2-CE2 4.49Å; L175-F203 HydrophobicContact CD2-CG 4.11Å
176	H	92.8	Very high	93.7	Very high	22 Å²	22	27.1 Å²	27.1	10%	0.102	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-37.3	179	-76.2	-163.8	0	0	0	112.1	M172 A173 H178 D179 V180 N283 D286 F354	M172-H176 WeakPolarHBondContact O-CB 3.4Å; M172-H176 PolarHBondContact O-N 3.28Å; A173-H176 PolarHBondContact O-N 3.28Å; H176-H178 PolarHBondContact O-N 3.34Å; H176-D179 PolarHBondContact O-N 3.43Å; H176-V180 PolarHBondContact CD2-O 2.98Å; H176-N283 VanDerWaalsContact CE1-CB 3.49Å; H176-N283 WeakPolarHBondContact CE1-CB 3.36Å; H176-N283 PolarHBondContact CE1-O 3.14Å; H176-N283 PolarHBondContact ND1-ND2 3.38Å; H176-D286 IonicContact CD2-OD2 3.07Å; H176-D286 IonicContact CE1-OD2 3.25Å; H176-D286 IonicContact NE2-OD2 3.84Å; H176-D286 PolarHBondContact NE2-OD2 2.87Å; H176-F354 AromaticContact CE1-CD2 3.46Å; H176-F354 VanDerWaalsContact CE1-CD2 3.46Å; H176-F354 WeakPolarHBondContact CE1-CD2 3.36Å; H176-F354 AromaticContact CE1-CE2 3.31Å; H176-F354 WeakPolarHBondContact CE1-CE2 3.45Å; H176-F354 AromaticContact ND1-CD2 3.51Å; H176-F354 AromaticContact ND1-CE2 3.88Å; H176-F354 AromaticContact NE2-CE2 3.82Å
177	K	92	Very high	93.6	Very high	173 Å²	173	25.1 Å²	25.1	75%	0.752	12%	0.123	S	C	*	.	H	α-helix	trans	-61.9	-22.6	173	-175.7	175.9	179	178.7	0	113.4	A173 Y174 L175	A173-K177 WeakPolarHBondContact O-CB 3.17Å; A173-K177 PolarHBondContact O-N 3.13Å; Y174-K177 PolarHBondContact O-N 3.35Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 2.85Å
178	H	87.5	Confident	93.3	Very high	85 Å²	85	28.4 Å²	28.4	39%	0.394	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	20.5	175.6	-64.9	79.3	0	0	0	112.6	L114 Y174 L175 H176 V180	L114-H178 HydrophobicContact CD2-CB 4.11Å; Y174-H178 AromaticContact CD2-CE1 3.73Å; Y174-H178 AromaticContact CE1-CE1 3.97Å; Y174-H178 AromaticContact CE1-ND1 3.95Å; Y174-H178 AromaticContact CE2-CE1 3.23Å; Y174-H178 WeakPolarHBondContact CE2-CE1 3.45Å; Y174-H178 AromaticContact CE2-ND1 3.89Å; Y174-H178 AromaticContact CZ-CE1 3.36Å; Y174-H178 AromaticContact CZ-ND1 3.82Å; Y174-H178 AromaticContact CZ-NE2 3.93Å; Y174-H178 PolarHBondContact O-N 2.98Å; Y174-H178 PolarHBondContact O-ND1 2.77Å; L175-H178 CarbonylContact O-C 3.51Å; L175-H178 WeakPolarHBondContact O-CA 3.44Å; L175-H178 PolarHBondContact O-N 3.02Å; H176-H178 PolarHBondContact O-N 3.34Å; H178-V180 PolarHBondContact O-N 3.31Å
179	D	85.8	Confident	93.1	Very high	103 Å²	103	29 Å²	29	55%	0.551	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	34.9	179.1	-62	-57.6	0	0	0	113.8	L175 H176 K207 N257	L175-D179 PolarHBondContact O-N 3.04Å; H176-D179 PolarHBondContact O-N 3.43Å; D179-K207 PolarHBondContact O-NZ 3.32Å; D179-N257 PolarHBondContact OD1-ND2 3.19Å
180	V	86.2	Confident	93	Very high	15 Å²	15	29 Å²	29	9%	0.091	14%	0.144	C	C	.	.			trans	-106	113.4	173.7	-177.5	0	0	0	0	109.4	L175 H176 H178	L175-V180 CarbonylContact C-O 3.45Å; L175-V180 HydrophobicContact CB-CB 4.14Å; L175-V180 HydrophobicContact CB-CG1 4.49Å; L175-V180 HydrophobicContact CD2-CB 4.24Å; L175-V180 HydrophobicContact CD2-CG1 4.19Å; L175-V180 WeakPolarHBondContact O-CB 3.36Å; L175-V180 PolarHBondContact O-N 3.08Å; H176-V180 PolarHBondContact CD2-O 2.98Å; H178-V180 PolarHBondContact O-N 3.31Å
181	I	89.3	Confident	93	Very high	21 Å²	21	29.3 Å²	29.3	11%	0.108	14%	0.143	C	C	.	.			trans	-89.3	128	166.2	-50.2	176.9	0	0	0	107.3	R183 N283 V285 D286	I181-R183 HydrophobicContact CB-CG 4.2Å; I181-R183 HydrophobicContact CG2-CG 3.64Å; I181-N283 HydrophobicContact CD1-CB 4.45Å; I181-N283 HydrophobicContact CG1-CB 4.06Å; I181-V285 HydrophobicContact CG2-CG2 3.9Å; I181-D286 WeakPolarHBondContact CA-OD2 3.39Å; I181-D286 WeakPolarHBondContact CG2-OD2 3.43Å
182	H	91.2	Very high	93	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	14%	0.143	C	C	.	.			trans	-74.9	-44.3	-176.4	-170.3	-44.5	0	0	0	112.5	M172 D184 L185 V200 S201 D286	M172-H182 HydrophobicContact CE-CB 3.48Å; M172-H182 VanDerWaalsContact CE-CB 3.48Å; M172-H182 HydrophobicContact SD-CB 4.12Å; H182-D184 PolarHBondContact CE1-O 3.38Å; H182-D184 VanDerWaalsContact CE1-O 3.28Å; H182-D184 PolarHBondContact ND1-N 2.76Å; H182-D184 PolarHBondContact O-N 3.31Å; H182-L185 HydrophobicContact CB-CB 4.43Å; H182-L185 PolarHBondContact ND1-N 3Å; H182-V200 VanDerWaalsContact CD2-CG1 3.43Å; H182-V200 WeakPolarHBondContact CD2-CG1 3.32Å; H182-V200 WeakPolarHBondContact NE2-CG1 3.2Å; H182-S201 PolarHBondContact CE1-O 3.36Å; H182-S201 PolarHBondContact NE2-O 2.92Å; H182-D286 PolarHBondContact N-OD1 2.78Å; H182-D286 PolarHBondContact N-OD2 2.94Å
183	R	90.3	Very high	92.8	Very high	12 Å²	12	29.7 Å²	29.7	5%	0.045	14%	0.144	C	C	.	.	S	Bend	trans	67.5	-22.4	177.3	-53.8	175.8	179.5	173.7	-0.8	117	I181 Q210 H262 V265 Y281 D286	I181-R183 HydrophobicContact CB-CG 4.2Å; I181-R183 HydrophobicContact CG2-CG 3.64Å; R183-Q210 VanDerWaalsContact NH1-CD 3.34Å; R183-Q210 VanDerWaalsContact NH1-NE2 3.19Å; R183-H262 PolarHBondContact NH2-CD2 3.23Å; R183-H262 VanDerWaalsContact NH2-CD2 3.29Å; R183-H262 PolarHBondContact NH2-CE1 2.74Å; R183-H262 PolarHBondContact NH2-ND1 2.94Å; R183-H262 PolarHBondContact NH2-NE2 2.77Å; R183-V265 HydrophobicContact CB-CG2 4.39Å; R183-Y281 WeakPolarHBondContact CD-OH 3.35Å; R183-Y281 HydrophobicContact CG-CE2 4.44Å; R183-Y281 PolarHBondContact NE-OH 3.41Å; R183-D286 PolarHBondContact N-OD1 3.14Å
184	D	90.3	Very high	92.6	Very high	14 Å²	14	35 Å²	35	8%	0.075	17%	0.167	C	C	.	.			trans	-126.7	40.9	175.5	-167.1	40.8	0	0	0	111.7	H182 T186 N189 G266 S267	H182-D184 PolarHBondContact CE1-O 3.38Å; H182-D184 VanDerWaalsContact CE1-O 3.28Å; H182-D184 PolarHBondContact ND1-N 2.76Å; H182-D184 PolarHBondContact O-N 3.31Å; D184-T186 PolarHBondContact O-N 3.34Å; D184-N189 PolarHBondContact O-ND2 3.15Å; D184-N189 PolarHBondContact OD2-ND2 2.83Å; D184-G266 WeakPolarHBondContact OD1-CA 3.36Å; D184-S267 WeakPolarHBondContact OD1-CB 3.48Å; D184-S267 PolarHBondContact OD1-N 3.25Å; D184-S267 PolarHBondContact OD1-OG 3.42Å
185	L	95.4	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.			trans	-70.1	113.1	177	-178.9	65.3	0	0	0	109.5	I168 M172 H182 V200 S289 F290 I293 F354	I168-L185 HydrophobicContact CG2-CD1 4.3Å; I168-L185 HydrophobicContact CG2-CD2 4.45Å; M172-L185 HydrophobicContact CE-CD2 4.13Å; M172-L185 HydrophobicContact CG-CD1 4.31Å; M172-L185 HydrophobicContact CG-CD2 3.81Å; M172-L185 HydrophobicContact SD-CD1 3.9Å; M172-L185 HydrophobicContact SD-CD2 3.98Å; M172-L185 HydrophobicContact SD-CG 4.44Å; H182-L185 HydrophobicContact CB-CB 4.43Å; H182-L185 PolarHBondContact ND1-N 3Å; L185-V200 HydrophobicContact CD1-CG1 3.84Å; L185-V200 HydrophobicContact CD1-CG2 4.46Å; L185-S289 WeakPolarHBondContact O-CB 3.43Å; L185-F290 HydrophobicContact CD2-CB 4.05Å; L185-I293 HydrophobicContact CD1-CD1 4.26Å; L185-I293 HydrophobicContact CD2-CD1 4.32Å; L185-I293 HydrophobicContact CG-CD1 3.79Å; L185-F354 HydrophobicContact CD2-CZ 4.3Å
186	T	95.2	Very high	92.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.185	C	C	.	.			trans	-139.3	169.7	-179.5	71	0	0	0	0	111.1	D184 N188 N189 C190 W270	D184-T186 PolarHBondContact O-N 3.34Å; T186-N188 PolarHBondContact O-N 3.28Å; T186-N188 PolarHBondContact OG1-N 3.4Å; T186-N189 CarbonylContact O-C 3.52Å; T186-N189 PolarHBondContact O-N 3.05Å; T186-N189 PolarHBondContact OG1-N 2.89Å; T186-C190 PolarHBondContact O-N 3.45Å; T186-C190 PolarHBondContact O-SG 2.86Å; T186-W270 HydrophobicContact CG2-CB 4.18Å; T186-W270 HydrophobicContact CG2-CD2 3.65Å; T186-W270 HydrophobicContact CG2-CE3 3.87Å; T186-W270 HydrophobicContact CG2-CG 3.81Å; T186-W270 HydrophobicContact CG2-CZ3 4.49Å
187	T	96.4	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-65.6	-20.8	170.8	51.8	0	0	0	0	113.1	L144 H145 I293 Q296	L144-T187 PolarHBondContact N-O 3.2Å; H145-T187 WeakPolarHBondContact CB-OG1 3.47Å; H145-T187 PolarHBondContact N-O 3.18Å; H145-T187 PolarHBondContact ND1-OG1 3.07Å; T187-I293 HydrophobicContact CG2-CB 4.39Å; T187-I293 HydrophobicContact CG2-CG1 4.04Å; T187-I293 HydrophobicContact CG2-CG2 4Å; T187-Q296 HydrophobicContact CG2-CB 4.46Å; T187-Q296 PolarHBondContact OG1-OE1 3.4Å
188	N	93	Very high	92.7	Very high	70 Å²	70	28.9 Å²	28.9	37%	0.374	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-32	174.3	-74.5	-54.6	0	0	0	111.6	H145 T186 C190	H145-N188 WeakPolarHBondContact CB-OD1 3.39Å; H145-N188 PolarHBondContact CD2-OD1 3.21Å; T186-N188 PolarHBondContact O-N 3.28Å; T186-N188 PolarHBondContact OG1-N 3.4Å; N188-C190 VanDerWaalsContact C-N 3.28Å; N188-C190 PolarHBondContact O-N 2.92Å
189	N	94	Very high	93.1	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.07	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.5	178.2	-63.2	-15.2	0	0	0	112.8	D184 T186 S201 D202	D184-N189 PolarHBondContact O-ND2 3.15Å; D184-N189 PolarHBondContact OD2-ND2 2.83Å; T186-N189 CarbonylContact O-C 3.52Å; T186-N189 PolarHBondContact O-N 3.05Å; T186-N189 PolarHBondContact OG1-N 2.89Å; N189-S201 WeakPolarHBondContact CA-OG 3.3Å; N189-S201 PolarHBondContact O-N 2.83Å; N189-S201 PolarHBondContact O-OG 3.33Å; N189-D202 HydrophobicContact CB-CB 4.45Å; N189-D202 PolarHBondContact OD1-OD2 2.91Å
190	C	96.8	Very high	93.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.8	168.7	-63.9	0	0	0	0	107.2	S143 L144 I168 T186 N188 V198 V199	S143-C190 CarbonylContact C-O 3.55Å; S143-C190 WeakPolarHBondContact CA-O 3.26Å; L144-C190 HydrophobicContact CB-CB 3.95Å; L144-C190 WeakPolarHBondContact CB-O 3.23Å; L144-C190 HydrophobicContact CD2-CB 4.09Å; L144-C190 PolarHBondContact N-O 3.1Å; I168-C190 HydrophobicContact CD1-CB 4.29Å; I168-C190 HydrophobicContact CG1-CB 4.47Å; T186-C190 PolarHBondContact O-N 3.45Å; T186-C190 PolarHBondContact O-SG 2.86Å; N188-C190 VanDerWaalsContact C-N 3.28Å; N188-C190 PolarHBondContact O-N 2.92Å; C190-V198 HydrophobicContact CB-CG1 3.87Å; C190-V199 CarbonylContact C-O 3.39Å; C190-V199 WeakPolarHBondContact CA-O 3.3Å
191	L	96.4	Very high	93.8	Very high	33 Å²	33	19.4 Å²	19.4	17%	0.173	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.1	-178.8	-52.6	179	0	0	0	110.4	L120 I139 G142 V198 V199	L120-L191 HydrophobicContact CD1-CD1 4.25Å; L120-L191 HydrophobicContact CD2-CD1 4.09Å; I139-L191 HydrophobicContact CB-CB 3.88Å; I139-L191 HydrophobicContact CB-CD1 4.14Å; I139-L191 HydrophobicContact CG1-CB 4Å; I139-L191 HydrophobicContact CG1-CD1 3.9Å; I139-L191 HydrophobicContact CG2-CB 3.63Å; G142-L191 CarbonylContact O-C 3.6Å; G142-L191 VanDerWaalsContact O-CA 3.32Å; G142-L191 WeakPolarHBondContact O-CA 3.38Å; L191-V198 WeakPolarHBondContact O-CA 3.25Å; L191-V199 HydrophobicContact CB-CG2 3.84Å; L191-V199 PolarHBondContact N-O 3.46Å; L191-V199 PolarHBondContact O-N 3.4Å
192	V	96.7	Very high	93.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123	-174.1	-170.5	0	0	0	0	110.9	I139 K141 G142 L144 L147 F164 V198	I139-V192 WeakPolarHBondContact CG2-O 3.44Å; K141-V192 HydrophobicContact CB-CB 4.19Å; K141-V192 VanDerWaalsContact CB-O 3.23Å; K141-V192 WeakPolarHBondContact CB-O 3.45Å; K141-V192 HydrophobicContact CD-CG1 4.07Å; K141-V192 PolarHBondContact N-O 2.79Å; G142-V192 PolarHBondContact O-N 3.44Å; L144-V192 HydrophobicContact CB-CG2 3.91Å; L144-V192 HydrophobicContact CD1-CG2 3.86Å; L144-V192 HydrophobicContact CG-CG2 4.45Å; L147-V192 HydrophobicContact CD2-CB 3.76Å; L147-V192 HydrophobicContact CD2-CG1 3.9Å; L147-V192 HydrophobicContact CD2-CG2 3.76Å; F164-V192 HydrophobicContact CE1-CG1 3.99Å; F164-V192 HydrophobicContact CZ-CG1 4.43Å; V192-V198 HydrophobicContact CG2-CG2 4.32Å
193	R	94.6	Very high	93	Very high	8 Å²	8	20.5 Å²	20.5	3%	0.03	10%	0.104	C	C	.	.			trans	-74.3	167.5	177.3	-67.9	-177	179.5	-117.4	-8.4	111.6	T44 T45 E137 I139 K141 D195 D196 S197	T44-R193 PolarHBondContact O-NH1 2.99Å; T45-R193 PolarHBondContact O-NH1 2.8Å; E137-R193 IonicContact OE1-NH2 2.75Å; E137-R193 PolarHBondContact OE1-NH2 3.45Å; E137-R193 IonicContact OE2-CZ 2.92Å; E137-R193 IonicContact OE2-NH1 2.96Å; E137-R193 IonicContact OE2-NH2 3.54Å; E137-R193 PolarHBondContact OE2-NH2 3.34Å; I139-R193 HydrophobicContact CD1-CG 3.98Å; I139-R193 HydrophobicContact CG2-CG 4.22Å; K141-R193 WeakPolarHBondContact CD-O 3.23Å; K141-R193 PolarHBondContact NZ-O 2.66Å; R193-D195 WeakPolarHBondContact CB-OD1 3.16Å; R193-D195 PolarHBondContact O-N 3.08Å; R193-D195 VanDerWaalsContact O-N 3.14Å; R193-D196 PolarHBondContact O-N 3.27Å; R193-S197 VanDerWaalsContact CD-OG 3.31Å; R193-S197 WeakPolarHBondContact CD-OG 3.28Å; R193-S197 PolarHBondContact N-O 2.92Å
194	Q	91.9	Very high	91.6	Very high	122 Å²	122	20 Å²	20	57%	0.57	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31	-179.5	-172.3	60.2	16.2	0	0	114	E140 K141 D196	E140-Q194 PolarHBondContact OE2-N 3.01Å; K141-Q194 VanDerWaalsContact CE-O 3.27Å; K141-Q194 WeakPolarHBondContact CE-O 3.36Å; K141-Q194 PolarHBondContact NZ-O 3.41Å; Q194-D196 VanDerWaalsContact C-N 3.32Å; Q194-D196 PolarHBondContact O-N 3.37Å
195	D	90.9	Very high	90.1	Very high	50 Å²	50	20.6 Å²	20.6	27%	0.267	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.4	178.3	66.3	-8.5	0	0	0	114.8	R43 T44 R193 S197	R43-D195 WeakPolarHBondContact CA-OD2 3.26Å; T44-D195 WeakPolarHBondContact CB-OD2 3.15Å; T44-D195 PolarHBondContact N-OD2 2.8Å; T44-D195 PolarHBondContact OG1-OD2 3.38Å; R193-D195 WeakPolarHBondContact CB-OD1 3.16Å; R193-D195 PolarHBondContact O-N 3.08Å; R193-D195 VanDerWaalsContact O-N 3.14Å; D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 VanDerWaalsContact CG-OG 3.31Å; D195-S197 PolarHBondContact O-N 2.81Å; D195-S197 WeakPolarHBondContact OD1-CB 3.39Å; D195-S197 PolarHBondContact OD1-N 3.47Å; D195-S197 PolarHBondContact OD1-OG 2.91Å; D195-S197 PolarHBondContact OD2-OG 2.89Å
196	D	93.5	Very high	88	Confident	50 Å²	50	21.6 Å²	21.6	27%	0.267	11%	0.113	S	C	.	.	S	Bend	trans	68.2	12.5	-174.1	-65.4	-51.4	0	0	0	115.5	K141 K160 F164 R193 Q194	K141-D196 IonicContact NZ-OD1 3.37Å; K141-D196 PolarHBondContact NZ-OD1 3.39Å; K141-D196 IonicContact NZ-OD2 3.77Å; K160-D196 IonicContact NZ-OD1 2.81Å; K160-D196 PolarHBondContact NZ-OD1 3.17Å; K160-D196 IonicContact NZ-OD2 3.7Å; K160-D196 PolarHBondContact NZ-OD2 3.35Å; F164-D196 HydrophobicContact CE1-CB 4.06Å; F164-D196 WeakPolarHBondContact CE1-O 3.36Å; R193-D196 PolarHBondContact O-N 3.27Å; Q194-D196 VanDerWaalsContact C-N 3.32Å; Q194-D196 PolarHBondContact O-N 3.37Å
197	S	95.2	Very high	85.7	Confident	7 Å²	7	25.7 Å²	25.7	5%	0.049	13%	0.131	C	C	.	.			trans	-76	147.5	166.8	62.9	0	0	0	0	111.5	D167 R193 D195	D167-S197 VanDerWaalsContact OD2-CA 3.31Å; D167-S197 WeakPolarHBondContact OD2-CA 3.3Å; D167-S197 WeakPolarHBondContact OD2-CB 3.32Å; R193-S197 VanDerWaalsContact CD-OG 3.31Å; R193-S197 WeakPolarHBondContact CD-OG 3.28Å; R193-S197 PolarHBondContact N-O 2.92Å; D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 VanDerWaalsContact CG-OG 3.31Å; D195-S197 PolarHBondContact O-N 2.81Å; D195-S197 WeakPolarHBondContact OD1-CB 3.39Å; D195-S197 PolarHBondContact OD1-N 3.47Å; D195-S197 PolarHBondContact OD1-OG 2.91Å; D195-S197 PolarHBondContact OD2-OG 2.89Å
198	V	97.2	Very high	83.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.6	-175	-172.6	0	0	0	0	111.1	N118 F164 D167 I168 C190 L191 V192	N118-V198 WeakPolarHBondContact CA-O 3.34Å; N118-V198 WeakPolarHBondContact CB-O 3.28Å; N118-V198 PolarHBondContact ND2-O 3.37Å; F164-V198 HydrophobicContact CB-CG2 4.1Å; F164-V198 HydrophobicContact CD1-CG2 3.3Å; F164-V198 HydrophobicContact CE1-CG2 3.96Å; F164-V198 HydrophobicContact CG-CG2 4.02Å; D167-V198 HydrophobicContact CB-CB 3.83Å; D167-V198 HydrophobicContact CB-CG2 4.32Å; D167-V198 PolarHBondContact OD2-N 2.84Å; I168-V198 HydrophobicContact CD1-CG1 4.24Å; I168-V198 HydrophobicContact CG1-CB 4.27Å; I168-V198 HydrophobicContact CG1-CG1 3.65Å; C190-V198 HydrophobicContact CB-CG1 3.87Å; L191-V198 WeakPolarHBondContact O-CA 3.25Å; V192-V198 HydrophobicContact CG2-CG2 4.32Å
199	V	95.8	Very high	81	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.8	170.6	-58.7	0	0	0	0	110.4	P117 N118 L120 I139 C190 L191	P117-V199 WeakPolarHBondContact O-CG1 3.46Å; N118-V199 WeakPolarHBondContact O-CA 3.38Å; L120-V199 HydrophobicContact CB-CG2 4.26Å; L120-V199 HydrophobicContact CD1-CG2 3.94Å; I139-V199 HydrophobicContact CD1-CG2 3.87Å; I139-V199 HydrophobicContact CG1-CG2 3.92Å; C190-V199 CarbonylContact C-O 3.39Å; C190-V199 WeakPolarHBondContact CA-O 3.3Å; L191-V199 HydrophobicContact CB-CG2 3.84Å; L191-V199 PolarHBondContact N-O 3.46Å; L191-V199 PolarHBondContact O-N 3.4Å
200	V	95.7	Very high	78.5	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128	173.2	-179.2	0	0	0	0	109	N118 I119 L120 I168 M172 H182 L185	N118-V200 PolarHBondContact O-N 3.4Å; I119-V200 HydrophobicContact CD1-CB 4.03Å; L120-V200 WeakPolarHBondContact CB-O 3.4Å; L120-V200 PolarHBondContact N-O 3.38Å; I168-V200 HydrophobicContact CG2-CG2 4.11Å; M172-V200 HydrophobicContact SD-CG1 4.04Å; H182-V200 VanDerWaalsContact CD2-CG1 3.43Å; H182-V200 WeakPolarHBondContact CD2-CG1 3.32Å; H182-V200 WeakPolarHBondContact NE2-CG1 3.2Å; L185-V200 HydrophobicContact CD1-CG1 3.84Å; L185-V200 HydrophobicContact CD1-CG2 4.46Å
201	S	91.2	Very high	75.6	Confident	4 Å²	4	31.2 Å²	31.2	3%	0.028	17%	0.165	C	C	.	.			trans	-114.4	171.4	-179.1	66.1	0	0	0	0	111.6	H182 N189 F203	H182-S201 PolarHBondContact CE1-O 3.36Å; H182-S201 PolarHBondContact NE2-O 2.92Å; N189-S201 WeakPolarHBondContact CA-OG 3.3Å; N189-S201 PolarHBondContact O-N 2.83Å; N189-S201 PolarHBondContact O-OG 3.33Å; S201-F203 PolarHBondContact O-N 3.46Å
202	D	83.4	Confident	73	Confident	39 Å²	39	31.5 Å²	31.5	21%	0.209	17%	0.167	C	C	.	.	S	Bend	trans	58.3	21	173.6	-66.3	-25.6	0	0	0	115.8	K91 N189 L205	K91-D202 IonicContact NZ-OD1 2.76Å; K91-D202 PolarHBondContact NZ-OD1 3.15Å; K91-D202 IonicContact NZ-OD2 2.69Å; K91-D202 PolarHBondContact NZ-OD2 2.71Å; N189-D202 HydrophobicContact CB-CB 4.45Å; N189-D202 PolarHBondContact OD1-OD2 2.91Å; D202-L205 HydrophobicContact CB-CD1 4.15Å; D202-L205 WeakPolarHBondContact OD1-CD1 3.35Å
203	F	78.8	Confident	69.9	Low	7 Å²	7	37.1 Å²	37.1	3%	0.031	20%	0.203	C	C	.	.			trans	-69.3	147	170.5	54.9	-89.2	0	0	0	111.2	L111 L114 I119 L120 I122 L175 S201 L205	L111-F203 HydrophobicContact CD2-CD2 4.04Å; L111-F203 HydrophobicContact CD2-CE2 3.94Å; L114-F203 HydrophobicContact CD1-CD2 4.05Å; L114-F203 HydrophobicContact CD1-CE2 3.67Å; I119-F203 HydrophobicContact CG2-CD1 4.07Å; I119-F203 HydrophobicContact CG2-CE1 3.34Å; I119-F203 HydrophobicContact CG2-CE2 4.16Å; I119-F203 HydrophobicContact CG2-CZ 3.38Å; L120-F203 HydrophobicContact CB-CE1 4.39Å; L120-F203 WeakPolarHBondContact O-CZ 3.46Å; I122-F203 HydrophobicContact CD1-CZ 4.42Å; L175-F203 HydrophobicContact CD1-CB 3.62Å; L175-F203 HydrophobicContact CD1-CG 4.05Å; L175-F203 HydrophobicContact CD2-CB 4.35Å; L175-F203 HydrophobicContact CD2-CD2 3.92Å; L175-F203 HydrophobicContact CD2-CE2 4.49Å; L175-F203 HydrophobicContact CD2-CG 4.11Å; S201-F203 PolarHBondContact O-N 3.46Å; F203-L205 PolarHBondContact O-N 3.42Å
204	G	60.8	Low	67	Low	3 Å²	3	41.3 Å²	41.3	3%	0.031	23%	0.234	C	C	.	.	S	Bend	trans	70.5	-11.3	169.4	0	0	0	0	0	116.2	S206 K207	G204-S206 PolarHBondContact O-N 3.23Å; G204-K207 WeakPolarHBondContact O-CB 3.25Å; G204-K207 PolarHBondContact O-N 3Å
205	L	58.7	Low	64	Low	26 Å²	26	41.5 Å²	41.5	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-24.5	177.3	-65.3	178	0	0	0	112.6	D202 F203 K207 L208 V209	D202-L205 HydrophobicContact CB-CD1 4.15Å; D202-L205 WeakPolarHBondContact OD1-CD1 3.35Å; F203-L205 PolarHBondContact O-N 3.42Å; L205-K207 VanDerWaalsContact C-N 3.25Å; L205-K207 PolarHBondContact O-N 3.33Å; L205-L208 WeakPolarHBondContact O-CB 3.4Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-L208 VanDerWaalsContact O-N 3.14Å; L205-V209 PolarHBondContact O-N 3.4Å
206	S	51	Low	61.1	Low	20 Å²	20	48 Å²	48	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-25.2	171.5	56.5	0	0	0	0	113.4	G204 Q210	G204-S206 PolarHBondContact O-N 3.23Å; S206-Q210 VanDerWaalsContact O-CB 3.28Å; S206-Q210 WeakPolarHBondContact O-CB 3.5Å; S206-Q210 WeakPolarHBondContact O-CG 3.49Å; S206-Q210 PolarHBondContact O-N 3.29Å
207	K	48.6	Very low	58.2	Low	87 Å²	87	54.6 Å²	54.6	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-69.6	-38.5	171.5	-71.1	-175.3	179.8	175.5	0	110.3	D179 G204 L205 V209 Q210 S211	D179-K207 PolarHBondContact O-NZ 3.32Å; G204-K207 WeakPolarHBondContact O-CB 3.25Å; G204-K207 PolarHBondContact O-N 3Å; L205-K207 VanDerWaalsContact C-N 3.25Å; L205-K207 PolarHBondContact O-N 3.33Å; K207-V209 VanDerWaalsContact C-N 3.32Å; K207-V209 PolarHBondContact O-N 2.9Å; K207-Q210 PolarHBondContact O-N 3.42Å; K207-Q210 VanDerWaalsContact O-N 3.15Å; K207-S211 PolarHBondContact O-N 3.22Å
208	L	46.4	Very low	55	Low	15 Å²	15	59.9 Å²	59.9	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-44.4	176.3	-153.8	73.6	0	0	0	111.4	V93 I104 E107 L205 S211	V93-L208 HydrophobicContact CG1-CD2 4.48Å; I104-L208 HydrophobicContact CB-CD1 4.06Å; I104-L208 HydrophobicContact CG1-CD1 3.73Å; I104-L208 HydrophobicContact CG1-CD2 4.27Å; I104-L208 HydrophobicContact CG1-CG 4.01Å; I104-L208 HydrophobicContact CG2-CD1 4.19Å; I104-L208 HydrophobicContact CG2-CD2 4.38Å; E107-L208 HydrophobicContact CB-CD1 3.73Å; E107-L208 HydrophobicContact CG-CD1 4.29Å; E107-L208 WeakPolarHBondContact OE2-CA 3.24Å; E107-L208 WeakPolarHBondContact OE2-CD1 3.37Å; E107-L208 PolarHBondContact OE2-N 3.05Å; L205-L208 WeakPolarHBondContact O-CB 3.4Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-L208 VanDerWaalsContact O-N 3.14Å; L208-S211 PolarHBondContact O-OG 3.49Å
209	V	43.8	Very low	51.7	Low	83 Å²	83	66.4 Å²	66.4	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-74.9	-28	178.5	-178.6	0	0	0	0	112.6	L205 K207 I212	L205-V209 PolarHBondContact O-N 3.4Å; K207-V209 VanDerWaalsContact C-N 3.32Å; K207-V209 PolarHBondContact O-N 2.9Å; V209-I212 WeakPolarHBondContact O-CB 3.26Å; V209-I212 VanDerWaalsContact O-CG1 3.27Å; V209-I212 WeakPolarHBondContact O-CG1 3.34Å
210	Q	40.9	Very low	48.6	Very low	54 Å²	54	71.9 Å²	71.9	25%	0.252	41%	0.408	S	S	.	.	H	α-helix	trans	-87.9	-17.8	-179.9	-73	176.9	10.2	0	0	114.3	R183 S206 K207 I212 T263	R183-Q210 VanDerWaalsContact NH1-CD 3.34Å; R183-Q210 VanDerWaalsContact NH1-NE2 3.19Å; S206-Q210 VanDerWaalsContact O-CB 3.28Å; S206-Q210 WeakPolarHBondContact O-CB 3.5Å; S206-Q210 WeakPolarHBondContact O-CG 3.49Å; S206-Q210 PolarHBondContact O-N 3.29Å; K207-Q210 PolarHBondContact O-N 3.42Å; K207-Q210 VanDerWaalsContact O-N 3.15Å; Q210-I212 PolarHBondContact O-N 2.97Å; Q210-T263 PolarHBondContact NE2-O 3.45Å
211	S	37.2	Very low	45.6	Very low	47 Å²	47	77.5 Å²	77.5	33%	0.329	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.4	171.5	73	0	0	0	0	112.8	K207 L208	K207-S211 PolarHBondContact O-N 3.22Å; L208-S211 PolarHBondContact O-OG 3.49Å
212	I	40	Very low	42.6	Very low	39 Å²	39	83 Å²	83	20%	0.2	48%	0.475	C	S	.	.	S	Bend	trans	-82.4	118	172.9	-42.8	-173.9	0	0	0	108	E95 I100 V209 Q210 S214	E95-I212 HydrophobicContact CG-CD1 4.25Å; I100-I212 HydrophobicContact CD1-CB 4.37Å; I100-I212 HydrophobicContact CD1-CD1 3.96Å; I100-I212 HydrophobicContact CD1-CG1 3.8Å; I100-I212 HydrophobicContact CD1-CG2 3.98Å; V209-I212 WeakPolarHBondContact O-CB 3.26Å; V209-I212 VanDerWaalsContact O-CG1 3.27Å; V209-I212 WeakPolarHBondContact O-CG1 3.34Å; Q210-I212 PolarHBondContact O-N 2.97Å; I212-S214 PolarHBondContact O-N 3.04Å
213	P	33.3	Very low	40.3	Very low	119 Å²	119	87.6 Å²	87.6	77%	0.773	50%	0.5	S	S	*	.			trans	-62.3	101.6	170.8	-6.8	18.4	0	0	0	108.1	C215	P213-C215 PolarHBondContact O-N 2.94Å
214	S	32.7	Very low	38.2	Very low	95 Å²	95	93.9 Å²	93.9	66%	0.664	53%	0.534	S	S	*	.			trans	-65.3	117	165.3	-58.8	0	0	0	0	106.5	I212 K216	I212-S214 PolarHBondContact O-N 3.04Å; S214-K216 PolarHBondContact O-N 3.41Å
215	C	28.5	Very low	37.1	Very low	126 Å²	126	98.8 Å²	98.8	85%	0.851	57%	0.568	S	S	*	*			trans	-50.3	110.3	169.5	-99.3	0	0	0	0	108.2	P213 H217	P213-C215 PolarHBondContact O-N 2.94Å; C215-H217 PolarHBondContact O-N 3.32Å; C215-H217 VanDerWaalsContact O-N 3.11Å
216	K	30.9	Very low	35.9	Very low	188 Å²	188	104.1 Å²	104.1	82%	0.817	60%	0.601	S	S	*	*			trans	-61.1	113	169.2	-66	177.4	179.6	177.1	0	106.6	S214 T218	S214-K216 PolarHBondContact O-N 3.41Å; K216-T218 PolarHBondContact O-N 2.99Å
217	H	31.4	Very low	35	Very low	188 Å²	188	108 Å²	108	87%	0.87	63%	0.628	S	S	*	*			trans	-64.9	94.1	159.8	-87.8	-66.1	0	0	0	107.5	C215 T219	C215-H217 PolarHBondContact O-N 3.32Å; C215-H217 VanDerWaalsContact O-N 3.11Å; H217-T219 PolarHBondContact O-N 3.1Å
218	T	29.2	Very low	34.1	Very low	117 Å²	117	111.2 Å²	111.2	72%	0.718	65%	0.648	S	S	*	*			trans	-67.4	103.3	162.1	40.4	0	0	0	0	108.1	K216 T220	K216-T218 PolarHBondContact O-N 2.99Å; T218-T220 PolarHBondContact O-N 3.44Å
219	T	26.7	Very low	33.6	Very low	138 Å²	138	118.4 Å²	118.4	85%	0.847	69%	0.685	S	S	*	*			trans	-71.5	97.8	155.2	43.9	0	0	0	0	108.5	H217	H217-T219 PolarHBondContact O-N 3.1Å
220	T	31.2	Very low	32.9	Very low	115 Å²	115	122.4 Å²	122.4	71%	0.706	70%	0.698	S	S	*	*			trans	-151.8	100.8	160.4	-11.8	0	0	0	0	110	T218	T218-T220 PolarHBondContact O-N 3.44Å
221	T	32.2	Very low	32.7	Very low	118 Å²	118	126.9 Å²	126.9	72%	0.724	72%	0.724	S	S	*	*			trans	15.2	111.6	141.6	43.4	0	0	0	0	118.3
222	T	29.2	Very low	32.5	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.724	74%	0.741	S	S	*	*				35.8	121.3	128.4	56.5	0	0	0	0	119.6
223	N	35.3	Very low	32.4	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	77%	0.769	S	S	*	*			trans	110.5	111.3	141.7	-62.5	-2.4	0	0	0	117.7
224	D	35.2	Very low	32.6	Very low	139 Å²	139	131.5 Å²	131.5	74%	0.743	76%	0.762	S	S	*	*			trans	86.2	106.1	132.5	-57.4	-21.1	0	0	0	121.2
225	S	36.1	Very low	32.8	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	76%	0.763	S	S	*	*				82.8	102.2	129	54.7	0	0	0	0	122.9
226	V	33.5	Very low	33.1	Very low	137 Å²	137	133 Å²	133	83%	0.83	76%	0.759	S	S	*	*				66.4	139	118.7	-179.4	0	0	0	0	123
227	S	33.3	Very low	33.6	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	75%	0.751	S	S	*	*			trans	86.6	106.6	159.2	64.4	0	0	0	0	117.3
228	I	29.3	Very low	33.8	Very low	155 Å²	155	126.3 Å²	126.3	80%	0.795	75%	0.746	S	S	*	*				53	114.4	72.7	-51.4	-179.7	0	0	0	113.5
229	I	35.5	Very low	34.4	Very low	166 Å²	166	127.5 Å²	127.5	85%	0.851	75%	0.748	S	S	*	*			trans	-170	138.9	134.8	-89	147	0	0	0	110.2
230	Q	30.5	Very low	34.8	Very low	168 Å²	168	126 Å²	126	79%	0.785	74%	0.738	S	S	*	*			trans	-86.1	166.5	177.3	-67	167.3	-58.5	0	0	112.1
231	D	34.9	Very low	34.9	Very low	148 Å²	148	127.7 Å²	127.7	79%	0.791	74%	0.743	S	S	*	*			trans	154.3	112.1	143.3	-78.7	-11.1	0	0	0	108.4
232	S	33.7	Very low	35.2	Very low	98 Å²	98	128.3 Å²	128.3	69%	0.685	75%	0.747	S	S	*	*				83.4	137.6	61.8	75.5	0	0	0	0	115.4
233	S	38.9	Very low	35.3	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	75%	0.749	S	S	*	*			trans	83.3	147.2	167.6	76.7	0	0	0	0	118.2
234	S	36.2	Very low	35.1	Very low	89 Å²	89	128.5 Å²	128.5	62%	0.622	74%	0.744	S	S	*	*			cis	-176	168.3	-27.3	47.3	0	0	0	0	107
235	D	36.8	Very low	34.9	Very low	129 Å²	129	127.9 Å²	127.9	69%	0.69	74%	0.741	S	S	*	*			trans	100.5	106.1	146.8	-57.3	-33.5	0	0	0	122.5
236	T	35.7	Very low	34.8	Very low	124 Å²	124	130 Å²	130	76%	0.761	74%	0.738	S	S	*	*				50	144	121.7	64.7	0	0	0	0	120.3
237	S	40.1	Very low	34.6	Very low	94 Å²	94	128.7 Å²	128.7	66%	0.657	73%	0.731	S	S	*	*			cis	-175.9	152.8	19.7	41.7	0	0	0	0	111.6
238	N	36.7	Very low	34.4	Very low	142 Å²	142	133 Å²	133	76%	0.759	74%	0.739	S	S	*	*			trans	60.8	143.4	133.2	-64.1	-9.9	0	0	0	125.9
239	N	41.1	Very low	34.7	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	74%	0.742	S	S	*	*			trans	87.1	141.5	151.7	-68.8	-8.9	0	0	0	119.5
240	T	35.3	Very low	34.5	Very low	106 Å²	106	137.2 Å²	137.2	65%	0.65	75%	0.747	S	S	*	*			cis	-177	138	-21.5	24.1	0	0	0	0	104.3
241	D	32.9	Very low	34.5	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	75%	0.752	S	S	*	*			trans	52.7	152.4	145.7	-68.1	-39	0	0	0	125
242	V	39.8	Very low	34.5	Very low	132 Å²	132	143.9 Å²	143.9	80%	0.8	75%	0.754	S	S	*	*			trans	109.3	89.1	152.2	-163.4	0	0	0	0	117.8
243	H	30.5	Very low	34.5	Very low	167 Å²	167	147.2 Å²	147.2	77%	0.773	76%	0.759	S	S	*	*				47.1	122.6	122.5	-120.8	-26.7	0	0	0	122.3
244	C	32.2	Very low	34.4	Very low	90 Å²	90	151.3 Å²	151.3	61%	0.608	77%	0.765	S	S	*	*			trans	58.2	115.3	137.4	-86.6	0	0	0	0	120.2
245	N	31.2	Very low	34.4	Very low	127 Å²	127	150.5 Å²	150.5	68%	0.679	76%	0.764	S	S	*	*				167	146.3	96.7	-91.3	-31.6	0	0	0	113.6
246	H	32.2	Very low	34.6	Very low	150 Å²	150	151.6 Å²	151.6	69%	0.694	76%	0.759	S	S	*	*			trans	71.7	103.3	138.6	-73.1	-22.5	0	0	0	121.1
247	T	29.6	Very low	35.4	Very low	110 Å²	110	149.1 Å²	149.1	68%	0.675	74%	0.741	S	S	*	*				45.2	95.4	119.5	61.8	0	0	0	0	115.5
248	H	30.5	Very low	35.8	Very low	192 Å²	192	152.1 Å²	152.1	89%	0.889	75%	0.745	S	S	*	*			trans	-172.4	139.6	142.9	-99.1	-67.9	0	0	0	109.7
249	R	33.8	Very low	36.7	Very low	224 Å²	224	148.7 Å²	148.7	85%	0.845	73%	0.73	S	S	*	*			trans	96.5	57.2	170.9	-60.4	-178.1	171.4	-179.8	-0.3	118.4
250	L	32.4	Very low	37	Very low	185 Å²	185	150.3 Å²	150.3	97%	0.969	73%	0.726	S	S	*	*			trans	-113.8	76.8	144.8	-79.9	161.5	0	0	0	108.7
251	R	30.9	Very low	37.5	Very low	237 Å²	237	155.4 Å²	155.4	89%	0.894	73%	0.733	S	S	*	*			trans	-151.1	84.1	167.2	-132.8	-174	-179.9	-177.5	-0	106.9
252	R	34.7	Very low	38.4	Very low	219 Å²	219	150.7 Å²	150.7	83%	0.826	71%	0.706	S	S	*	*			trans	-154.4	97.8	167.7	-107.3	164.8	-169	-173.9	0.4	109.5
253	H	33.7	Very low	39.1	Very low	168 Å²	168	148.7 Å²	148.7	78%	0.778	69%	0.694	S	S	*	*			trans	33.4	128.5	144.1	-67.1	-83.5	0	0	0	118.7	A255	H253-A255 HydrophobicContact CB-CB 4.47Å; H253-A255 PolarHBondContact O-N 2.93Å
254	H	36.6	Very low	40.3	Very low	200 Å²	200	143.6 Å²	143.6	93%	0.926	68%	0.675	S	S	*	*			trans	-55.2	82.7	152.8	-66.7	32.4	0	0	0	108.1
255	A	34.8	Very low	41.5	Very low	73 Å²	73	141.4 Å²	141.4	60%	0.603	66%	0.658	S	S	*	*			trans	-103.1	119.4	-178.4	0	0	0	0	0	106.6	H253 N257	H253-A255 HydrophobicContact CB-CB 4.47Å; H253-A255 PolarHBondContact O-N 2.93Å; A255-N257 PolarHBondContact O-N 3.26Å; A255-N257 VanDerWaalsContact O-N 3.1Å
256	Y	41	Very low	43	Very low	151 Å²	151	136.5 Å²	136.5	59%	0.592	64%	0.638	S	S	*	*			trans	-31.8	117.2	163	-82.6	-97.6	0	0	0	110.2	H258	Y256-H258 PolarHBondContact O-N 2.77Å
257	N	53.1	Low	45.4	Very low	72 Å²	72	131 Å²	131	39%	0.385	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-61.1	120.8	175.6	-98.6	-37.7	0	0	0	107.4	D179 A255 D282	D179-N257 PolarHBondContact OD1-ND2 3.19Å; A255-N257 PolarHBondContact O-N 3.26Å; A255-N257 VanDerWaalsContact O-N 3.1Å; N257-D282 WeakPolarHBondContact O-CB 3.46Å
258	H	49.6	Very low	48.2	Very low	158 Å²	158	129.8 Å²	129.8	73%	0.731	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.5	137.7	-176.5	-81.2	-67.5	0	0	0	111.5	Y256 R260	Y256-H258 PolarHBondContact O-N 2.77Å; H258-R260 WeakPolarHBondContact O-CG 2.88Å; H258-R260 PolarHBondContact O-N 2.98Å
259	P	55.7	Low	51.2	Low	70 Å²	70	125.4 Å²	125.4	46%	0.455	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-54	130.6	178.4	-26.2	33.2	0	0	0	112	P280 Y281	P259-P280 HydrophobicContact CB-CB 3.75Å; P259-Y281 WeakPolarHBondContact CA-O 3.18Å
260	R	46.8	Very low	54.1	Low	175 Å²	175	115.4 Å²	115.4	66%	0.66	55%	0.549	S	S	*	.	B	Isolated β-bridge	trans	-126.2	153.1	176.6	-59.4	-155.1	-175.4	-146.2	3.8	110.6	H258 H262 P280 Y281	H258-R260 WeakPolarHBondContact O-CG 2.88Å; H258-R260 PolarHBondContact O-N 2.98Å; R260-H262 PolarHBondContact O-N 3.47Å; R260-P280 WeakPolarHBondContact O-CA 3.43Å; R260-Y281 PolarHBondContact N-O 3.29Å; R260-Y281 PolarHBondContact O-N 3.24Å; R260-Y281 VanDerWaalsContact O-N 3.15Å
261	R	45	Very low	57	Low	212 Å²	212	107.5 Å²	107.5	80%	0.8	51%	0.507	S	S	*	.			trans	-72.4	126.3	169.6	-71.2	-173.7	174.3	173.8	-2	109.2	P280	R261-P280 HydrophobicContact CG-CG 4.16Å
262	H	53.1	Low	60.1	Low	53 Å²	53	96.2 Å²	96.2	25%	0.245	47%	0.465	C	S	.	.			trans	-134.9	152.1	176.2	-67.9	-60	0	0	0	108.4	R183 R260 V264 Y281	R183-H262 PolarHBondContact NH2-CD2 3.23Å; R183-H262 VanDerWaalsContact NH2-CD2 3.29Å; R183-H262 PolarHBondContact NH2-CE1 2.74Å; R183-H262 PolarHBondContact NH2-ND1 2.94Å; R183-H262 PolarHBondContact NH2-NE2 2.77Å; R260-H262 PolarHBondContact O-N 3.47Å; H262-V264 PolarHBondContact O-N 3.11Å; H262-Y281 HydrophobicContact CB-CE1 3.64Å; H262-Y281 HydrophobicContact CB-CE2 4.41Å; H262-Y281 VanDerWaalsContact CB-CZ 3.49Å; H262-Y281 WeakPolarHBondContact CB-OH 3.25Å; H262-Y281 AromaticContact CD2-CE2 3.83Å; H262-Y281 AromaticContact CD2-CZ 3.76Å; H262-Y281 AromaticContact CG-CZ 4Å
263	T	53.9	Low	62.9	Low	89 Å²	89	86.5 Å²	86.5	55%	0.546	43%	0.43	S	S	.	.			trans	-62.6	131.2	176.2	-46.2	0	0	0	0	110.4	Q210 V265	Q210-T263 PolarHBondContact NE2-O 3.45Å; T263-V265 PolarHBondContact O-N 3.17Å
264	V	55	Low	65.7	Low	61 Å²	61	79.6 Å²	79.6	37%	0.37	40%	0.398	S	S	.	.			trans	-62.8	115.2	177.4	-176.6	0	0	0	0	110.1	H262 M271 D278	H262-V264 PolarHBondContact O-N 3.11Å; V264-M271 HydrophobicContact CG1-CE 3.33Å; V264-D278 HydrophobicContact CG2-CB 4.22Å; V264-D278 WeakPolarHBondContact CG2-OD1 3.46Å
265	V	58.6	Low	68.3	Low	43 Å²	43	70.1 Å²	70.1	26%	0.261	35%	0.354	S	S	.	.			trans	-143.7	144.6	175	-67.3	0	0	0	0	108.6	R183 T263	R183-V265 HydrophobicContact CB-CG2 4.39Å; T263-V265 PolarHBondContact O-N 3.17Å
266	G	62.3	Low	70.9	Confident	24 Å²	24	70 Å²	70	25%	0.247	34%	0.343	C	S	.	.	S	Bend	trans	143.4	166.8	176.1	0	0	0	0	0	113.3	D184	D184-G266 WeakPolarHBondContact OD1-CA 3.36Å
267	S	81.8	Confident	73.2	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	34%	0.337	S	S	.	.			trans	-75.9	117	175.4	-59.6	0	0	0	0	110	D184 Y269 W270 M271	D184-S267 WeakPolarHBondContact OD1-CB 3.48Å; D184-S267 PolarHBondContact OD1-N 3.25Å; D184-S267 PolarHBondContact OD1-OG 3.42Å; S267-Y269 VanDerWaalsContact C-N 3.25Å; S267-Y269 PolarHBondContact O-N 3.26Å; S267-W270 PolarHBondContact O-N 2.94Å; S267-M271 WeakPolarHBondContact O-CG 3.37Å; S267-M271 PolarHBondContact O-N 2.99Å
268	P	88.6	Confident	74.9	Confident	84 Å²	84	66.9 Å²	66.9	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34	-161.2	18.8	-32.9	0	0	0	114.8	W270 M271	P268-W270 VanDerWaalsContact C-N 3.31Å; P268-W270 PolarHBondContact O-N 3.2Å; P268-M271 HydrophobicContact CB-SD 4.49Å; P268-M271 PolarHBondContact O-N 2.92Å
269	Y	93.5	Very high	76.7	Confident	100 Å²	100	64.4 Å²	64.4	39%	0.392	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.1	-177.9	-53	-36	0	0	0	114.2	S267 D304 P305 R310	S267-Y269 VanDerWaalsContact C-N 3.25Å; S267-Y269 PolarHBondContact O-N 3.26Å; Y269-D304 HydrophobicContact CD2-CB 4.34Å; Y269-D304 HydrophobicContact CE2-CB 4.01Å; Y269-P305 HydrophobicContact CD1-CG 4.4Å; Y269-P305 HydrophobicContact CE1-CG 4.15Å; Y269-R310 VanDerWaalsContact O-CZ 3.24Å; Y269-R310 PolarHBondContact O-NH1 3.11Å; Y269-R310 VanDerWaalsContact O-NH1 3.13Å; Y269-R310 PolarHBondContact O-NH2 3.15Å
270	W	95.4	Very high	78.3	Confident	14 Å²	14	63.6 Å²	63.6	5%	0.053	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-12.5	175.4	-70.6	-102	0	0	0	112.6	T186 S267 P268 A272 S289 T292 A303	T186-W270 HydrophobicContact CG2-CB 4.18Å; T186-W270 HydrophobicContact CG2-CD2 3.65Å; T186-W270 HydrophobicContact CG2-CE3 3.87Å; T186-W270 HydrophobicContact CG2-CG 3.81Å; T186-W270 HydrophobicContact CG2-CZ3 4.49Å; S267-W270 PolarHBondContact O-N 2.94Å; P268-W270 VanDerWaalsContact C-N 3.31Å; P268-W270 PolarHBondContact O-N 3.2Å; W270-A272 PolarHBondContact O-N 3.21Å; W270-S289 PolarHBondContact O-OG 3.18Å; W270-T292 HydrophobicContact CD2-CG2 4.48Å; W270-T292 HydrophobicContact CG-CG2 4.02Å; W270-A303 HydrophobicContact CD2-CB 4.1Å; W270-A303 HydrophobicContact CE3-CB 4.13Å; W270-A303 HydrophobicContact CH2-CB 3.4Å; W270-A303 HydrophobicContact CZ2-CB 3.37Å; W270-A303 HydrophobicContact CZ3-CB 3.8Å
271	M	93.2	Very high	80.4	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.089	30%	0.298	C	S	.	.			trans	-63.7	135.3	-176.2	-64.8	178.8	57.6	0	0	111.5	V264 S267 P268 M275 I276 Y288	V264-M271 HydrophobicContact CG1-CE 3.33Å; S267-M271 WeakPolarHBondContact O-CG 3.37Å; S267-M271 PolarHBondContact O-N 2.99Å; P268-M271 HydrophobicContact CB-SD 4.49Å; P268-M271 PolarHBondContact O-N 2.92Å; M271-M275 HydrophobicContact CB-CE 3.55Å; M271-M275 HydrophobicContact CE-CE 3.94Å; M271-M275 HydrophobicContact CE-CG 4.03Å; M271-M275 HydrophobicContact CG-CE 3.51Å; M271-M275 HydrophobicContact SD-CE 4.47Å; M271-I276 HydrophobicContact CB-CD1 4.03Å; M271-I276 HydrophobicContact CB-CG1 3.69Å; M271-I276 HydrophobicContact CE-CG1 4.07Å; M271-Y288 WeakPolarHBondContact O-CE1 3.37Å
272	A	95	Very high	82.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.265	C	S	.	.			trans	-65.8	146.4	172.9	0	0	0	0	0	111.2	W270 E274 M275 I276 V285 Y288	W270-A272 PolarHBondContact O-N 3.21Å; A272-E274 VanDerWaalsContact C-N 3.29Å; A272-E274 WeakPolarHBondContact CB-OE1 2.87Å; A272-E274 WeakPolarHBondContact CB-OE2 3.39Å; A272-E274 PolarHBondContact O-N 3.16Å; A272-M275 HydrophobicContact CB-CB 4.49Å; A272-M275 WeakPolarHBondContact O-CA 3.48Å; A272-M275 WeakPolarHBondContact O-CB 3.42Å; A272-M275 PolarHBondContact O-N 2.95Å; A272-I276 PolarHBondContact O-N 3.17Å; A272-V285 HydrophobicContact CB-CB 3.87Å; A272-V285 HydrophobicContact CB-CG1 3.88Å; A272-Y288 VanDerWaalsContact CA-CD1 3.5Å; A272-Y288 HydrophobicContact CB-CD1 4.05Å; A272-Y288 HydrophobicContact CB-CG 3.94Å
273	P	94.1	Very high	84.5	Confident	15 Å²	15	45.5 Å²	45.5	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-55	-40.9	-177.5	-22.9	29	0	0	0	113.9	M275 I276 A277 Y288 C316 L346	P273-M275 VanDerWaalsContact C-N 3.26Å; P273-M275 PolarHBondContact O-N 3.43Å; P273-I276 PolarHBondContact O-N 3.02Å; P273-A277 WeakPolarHBondContact O-CB 3.49Å; P273-A277 PolarHBondContact O-N 2.99Å; P273-Y288 HydrophobicContact CG-CE2 4.23Å; P273-C316 WeakPolarHBondContact CG-SG 3.48Å; P273-L346 HydrophobicContact CB-CD1 3.92Å; P273-L346 HydrophobicContact CG-CD1 3.99Å
274	E	93	Very high	86.5	Confident	23 Å²	23	41.6 Å²	41.6	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-28.9	178	67.7	-84	-163.4	0	0	112.7	A272 D278 Q279 V285 P348 R351	A272-E274 VanDerWaalsContact C-N 3.29Å; A272-E274 WeakPolarHBondContact CB-OE1 2.87Å; A272-E274 WeakPolarHBondContact CB-OE2 3.39Å; A272-E274 PolarHBondContact O-N 3.16Å; E274-D278 PolarHBondContact O-N 2.9Å; E274-Q279 HydrophobicContact CB-CB 4.19Å; E274-Q279 WeakPolarHBondContact O-CB 3.15Å; E274-Q279 PolarHBondContact O-N 3.39Å; E274-V285 HydrophobicContact CG-CG1 4.26Å; E274-V285 WeakPolarHBondContact OE1-CG1 3.5Å; E274-P348 HydrophobicContact CG-CG 4.43Å; E274-R351 IonicContact OE1-CZ 2.7Å; E274-R351 IonicContact OE1-NH1 2.81Å; E274-R351 PolarHBondContact OE1-NH1 3.24Å; E274-R351 IonicContact OE1-NH2 3.68Å; E274-R351 PolarHBondContact OE1-NH2 3.38Å; E274-R351 IonicContact OE2-CZ 3.18Å; E274-R351 IonicContact OE2-NH1 3.41Å; E274-R351 IonicContact OE2-NH2 3.59Å; E274-R351 PolarHBondContact OE2-NH2 2.87Å
275	M	91	Very high	88.4	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-76.6	-36.7	174.7	-169.1	169.4	60.7	0	0	111.1	M271 A272 P273 A277 D278 Y281 V285	M271-M275 HydrophobicContact CB-CE 3.55Å; M271-M275 HydrophobicContact CE-CE 3.94Å; M271-M275 HydrophobicContact CE-CG 4.03Å; M271-M275 HydrophobicContact CG-CE 3.51Å; M271-M275 HydrophobicContact SD-CE 4.47Å; A272-M275 HydrophobicContact CB-CB 4.49Å; A272-M275 WeakPolarHBondContact O-CA 3.48Å; A272-M275 WeakPolarHBondContact O-CB 3.42Å; A272-M275 PolarHBondContact O-N 2.95Å; P273-M275 VanDerWaalsContact C-N 3.26Å; P273-M275 PolarHBondContact O-N 3.43Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-D278 PolarHBondContact O-N 3.05Å; M275-Y281 HydrophobicContact CB-CD1 4.46Å; M275-Y281 HydrophobicContact CG-CD1 4.27Å; M275-Y281 HydrophobicContact CG-CE1 3.99Å; M275-Y281 HydrophobicContact SD-CE1 4.37Å; M275-Y281 HydrophobicContact SD-CE2 4.34Å; M275-V285 HydrophobicContact CB-CG1 4.43Å
276	I	89.6	Confident	90.3	Very high	71 Å²	71	36.7 Å²	36.7	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-65.1	-39.4	173	-62.6	169.8	0	0	0	110.6	M271 A272 P273 D278 L315	M271-I276 HydrophobicContact CB-CD1 4.03Å; M271-I276 HydrophobicContact CB-CG1 3.69Å; M271-I276 HydrophobicContact CE-CG1 4.07Å; A272-I276 PolarHBondContact O-N 3.17Å; P273-I276 PolarHBondContact O-N 3.02Å; I276-D278 PolarHBondContact O-N 3.25Å; I276-L315 HydrophobicContact CG2-CD1 4.09Å
277	A	89.9	Confident	92	Very high	58 Å²	58	35.7 Å²	35.7	48%	0.479	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	10.5	179.7	0	0	0	0	0	114.4	P273 M275 Q279	P273-A277 WeakPolarHBondContact O-CB 3.49Å; P273-A277 PolarHBondContact O-N 2.99Å; M275-A277 VanDerWaalsContact C-N 3.33Å; A277-Q279 HydrophobicContact CB-CG 4.01Å; A277-Q279 PolarHBondContact O-N 3.23Å; A277-Q279 VanDerWaalsContact O-N 3.11Å; A277-Q279 PolarHBondContact O-NE2 3.16Å
278	D	87.1	Confident	92.8	Very high	99 Å²	99	34 Å²	34	53%	0.529	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	34.8	-177.6	-164.8	37.2	0	0	0	113.5	V264 E274 M275 I276	V264-D278 HydrophobicContact CG2-CB 4.22Å; V264-D278 WeakPolarHBondContact CG2-OD1 3.46Å; E274-D278 PolarHBondContact O-N 2.9Å; M275-D278 PolarHBondContact O-N 3.05Å; I276-D278 PolarHBondContact O-N 3.25Å
279	Q	88.9	Confident	93.2	Very high	106 Å²	106	30 Å²	30	50%	0.495	16%	0.16	S	C	.	.			trans	-85.6	155.4	175.6	-61.4	-55	-54.1	0	0	110.4	E274 A277 Y281	E274-Q279 HydrophobicContact CB-CB 4.19Å; E274-Q279 WeakPolarHBondContact O-CB 3.15Å; E274-Q279 PolarHBondContact O-N 3.39Å; A277-Q279 HydrophobicContact CB-CG 4.01Å; A277-Q279 PolarHBondContact O-N 3.23Å; A277-Q279 VanDerWaalsContact O-N 3.11Å; A277-Q279 PolarHBondContact O-NE2 3.16Å; Q279-Y281 WeakPolarHBondContact O-CD1 3.5Å; Q279-Y281 PolarHBondContact O-N 2.86Å
280	P	88.5	Confident	93.4	Very high	54 Å²	54	25.3 Å²	25.3	35%	0.351	14%	0.141	S	C	.	.			trans	-55.2	132	169.6	-21.7	33.1	0	0	0	110.2	P259 R260 R261	P259-P280 HydrophobicContact CB-CB 3.75Å; R260-P280 WeakPolarHBondContact O-CA 3.43Å; R261-P280 HydrophobicContact CG-CG 4.16Å
281	Y	90.7	Very high	93.6	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.02	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-134.9	160.6	-177.6	68	-97.2	0	0	0	111.3	R183 P259 R260 H262 M275 Q279 V285	R183-Y281 WeakPolarHBondContact CD-OH 3.35Å; R183-Y281 HydrophobicContact CG-CE2 4.44Å; R183-Y281 PolarHBondContact NE-OH 3.41Å; P259-Y281 WeakPolarHBondContact CA-O 3.18Å; R260-Y281 PolarHBondContact N-O 3.29Å; R260-Y281 PolarHBondContact O-N 3.24Å; R260-Y281 VanDerWaalsContact O-N 3.15Å; H262-Y281 HydrophobicContact CB-CE1 3.64Å; H262-Y281 HydrophobicContact CB-CE2 4.41Å; H262-Y281 VanDerWaalsContact CB-CZ 3.49Å; H262-Y281 WeakPolarHBondContact CB-OH 3.25Å; H262-Y281 AromaticContact CD2-CE2 3.83Å; H262-Y281 AromaticContact CD2-CZ 3.76Å; H262-Y281 AromaticContact CG-CZ 4Å; M275-Y281 HydrophobicContact CB-CD1 4.46Å; M275-Y281 HydrophobicContact CG-CD1 4.27Å; M275-Y281 HydrophobicContact CG-CE1 3.99Å; M275-Y281 HydrophobicContact SD-CE1 4.37Å; M275-Y281 HydrophobicContact SD-CE2 4.34Å; Q279-Y281 WeakPolarHBondContact O-CD1 3.5Å; Q279-Y281 PolarHBondContact O-N 2.86Å; Y281-V285 HydrophobicContact CD2-CB 4.33Å; Y281-V285 HydrophobicContact CD2-CG1 3.52Å; Y281-V285 HydrophobicContact CD2-CG2 3.84Å; Y281-V285 HydrophobicContact CE2-CG1 4.38Å; Y281-V285 HydrophobicContact CE2-CG2 4.03Å; Y281-V285 HydrophobicContact CG-CG1 3.76Å
282	D	91	Very high	93.8	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.107	13%	0.134	C	C	.	.			trans	-120.3	-162.4	176.8	65.5	17.5	0	0	0	110.8	N257 S284 V285	N257-D282 WeakPolarHBondContact O-CB 3.46Å; D282-S284 PolarHBondContact O-N 3.41Å; D282-S284 WeakPolarHBondContact OD1-CB 3.47Å; D282-S284 PolarHBondContact OD1-N 2.85Å; D282-S284 PolarHBondContact OD1-OG 3.43Å; D282-V285 WeakPolarHBondContact O-CG2 3.42Å; D282-V285 PolarHBondContact O-N 3.15Å
283	N	93	Very high	94	Very high	34 Å²	34	23.8 Å²	23.8	18%	0.182	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.3	-178.6	68.6	-35.9	0	0	0	113.8	H176 I181 V285 D286	H176-N283 VanDerWaalsContact CE1-CB 3.49Å; H176-N283 WeakPolarHBondContact CE1-CB 3.36Å; H176-N283 PolarHBondContact CE1-O 3.14Å; H176-N283 PolarHBondContact ND1-ND2 3.38Å; I181-N283 HydrophobicContact CD1-CB 4.45Å; I181-N283 HydrophobicContact CG1-CB 4.06Å; N283-V285 PolarHBondContact O-N 3.31Å; N283-D286 WeakPolarHBondContact O-CB 3.43Å; N283-D286 PolarHBondContact O-N 3.04Å; N283-D286 VanDerWaalsContact O-N 3.15Å
284	S	96	Very high	94.2	Very high	8 Å²	8	23 Å²	23	6%	0.056	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-14.1	177.6	68.5	0	0	0	0	114.2	D282 D286 V287 Y288 P348 R351	D282-S284 PolarHBondContact O-N 3.41Å; D282-S284 WeakPolarHBondContact OD1-CB 3.47Å; D282-S284 PolarHBondContact OD1-N 2.85Å; D282-S284 PolarHBondContact OD1-OG 3.43Å; S284-D286 PolarHBondContact O-N 3.29Å; S284-V287 WeakPolarHBondContact O-CB 3.38Å; S284-V287 PolarHBondContact O-N 3.32Å; S284-V287 VanDerWaalsContact O-N 3.14Å; S284-Y288 PolarHBondContact O-N 2.72Å; S284-P348 VanDerWaalsContact OG-CB 3.29Å; S284-P348 WeakPolarHBondContact OG-CB 3.37Å; S284-R351 PolarHBondContact O-NH1 2.78Å; S284-R351 VanDerWaalsContact O-NH1 3.08Å
285	V	95.4	Very high	94.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-36.5	171.1	-59.4	0	0	0	0	111.5	I181 A272 E274 M275 Y281 D282 N283 V287 Y288 S289	I181-V285 HydrophobicContact CG2-CG2 3.9Å; A272-V285 HydrophobicContact CB-CB 3.87Å; A272-V285 HydrophobicContact CB-CG1 3.88Å; E274-V285 HydrophobicContact CG-CG1 4.26Å; E274-V285 WeakPolarHBondContact OE1-CG1 3.5Å; M275-V285 HydrophobicContact CB-CG1 4.43Å; Y281-V285 HydrophobicContact CD2-CB 4.33Å; Y281-V285 HydrophobicContact CD2-CG1 3.52Å; Y281-V285 HydrophobicContact CD2-CG2 3.84Å; Y281-V285 HydrophobicContact CE2-CG1 4.38Å; Y281-V285 HydrophobicContact CE2-CG2 4.03Å; Y281-V285 HydrophobicContact CG-CG1 3.76Å; D282-V285 WeakPolarHBondContact O-CG2 3.42Å; D282-V285 PolarHBondContact O-N 3.15Å; N283-V285 PolarHBondContact O-N 3.31Å; V285-V287 VanDerWaalsContact C-N 3.25Å; V285-V287 PolarHBondContact O-N 3.11Å; V285-Y288 WeakPolarHBondContact O-CB 3.48Å; V285-Y288 PolarHBondContact O-N 3.44Å; V285-S289 PolarHBondContact O-N 2.89Å; V285-S289 VanDerWaalsContact O-N 3.09Å; V285-S289 PolarHBondContact O-OG 2.9Å
286	D	97.2	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-29	177.3	-67.8	-27.5	0	0	0	111.3	M172 H176 I181 H182 R183 N283 S284 S289 F290 F354	M172-D286 HydrophobicContact CE-CB 3.55Å; M172-D286 VanDerWaalsContact CE-OD2 3.3Å; M172-D286 WeakPolarHBondContact CE-OD2 3.45Å; H176-D286 IonicContact CD2-OD2 3.07Å; H176-D286 IonicContact CE1-OD2 3.25Å; H176-D286 IonicContact NE2-OD2 3.84Å; H176-D286 PolarHBondContact NE2-OD2 2.87Å; I181-D286 WeakPolarHBondContact CA-OD2 3.39Å; I181-D286 WeakPolarHBondContact CG2-OD2 3.43Å; H182-D286 PolarHBondContact N-OD1 2.78Å; H182-D286 PolarHBondContact N-OD2 2.94Å; R183-D286 PolarHBondContact N-OD1 3.14Å; N283-D286 WeakPolarHBondContact O-CB 3.43Å; N283-D286 PolarHBondContact O-N 3.04Å; N283-D286 VanDerWaalsContact O-N 3.15Å; S284-D286 PolarHBondContact O-N 3.29Å; D286-S289 WeakPolarHBondContact O-CB 3.14Å; D286-S289 PolarHBondContact O-N 3.26Å; D286-F290 WeakPolarHBondContact O-CB 3.43Å; D286-F290 PolarHBondContact O-N 3.43Å; D286-F354 HydrophobicContact CB-CE2 3.95Å; D286-F354 HydrophobicContact CB-CZ 4.21Å
287	V	98.4	Very high	95.1	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.024	11%	0.108	C	C	.	.	H	α-helix	trans	-68.9	-37.9	175.4	-176.6	0	0	0	0	110.5	S284 V285 F290 G291 C343 R351 P352 F354	S284-V287 WeakPolarHBondContact O-CB 3.38Å; S284-V287 PolarHBondContact O-N 3.32Å; S284-V287 VanDerWaalsContact O-N 3.14Å; V285-V287 VanDerWaalsContact C-N 3.25Å; V285-V287 PolarHBondContact O-N 3.11Å; V287-F290 WeakPolarHBondContact O-CB 3.45Å; V287-F290 PolarHBondContact O-N 2.92Å; V287-G291 PolarHBondContact O-N 3.2Å; V287-C343 HydrophobicContact CG1-CB 4.09Å; V287-R351 HydrophobicContact CB-CB 4.27Å; V287-R351 HydrophobicContact CG1-CB 3.89Å; V287-P352 VanDerWaalsContact CG1-O 3.26Å; V287-P352 WeakPolarHBondContact CG1-O 3.35Å; V287-P352 WeakPolarHBondContact CG2-O 3.32Å; V287-F354 HydrophobicContact CG2-CD2 4.14Å; V287-F354 HydrophobicContact CG2-CE2 3.82Å; V287-F354 HydrophobicContact CG2-CZ 4.18Å
288	Y	98.2	Very high	95.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.9	-45.5	172.5	-175.9	-85.1	0	0	0	111.7	M271 A272 P273 S284 V285 F290 G291 T292 C316 I317 C343 V344	M271-Y288 WeakPolarHBondContact O-CE1 3.37Å; A272-Y288 VanDerWaalsContact CA-CD1 3.5Å; A272-Y288 HydrophobicContact CB-CD1 4.05Å; A272-Y288 HydrophobicContact CB-CG 3.94Å; P273-Y288 HydrophobicContact CG-CE2 4.23Å; S284-Y288 PolarHBondContact O-N 2.72Å; V285-Y288 WeakPolarHBondContact O-CB 3.48Å; V285-Y288 PolarHBondContact O-N 3.44Å; Y288-F290 VanDerWaalsContact C-N 3.29Å; Y288-F290 PolarHBondContact O-N 3.05Å; Y288-G291 PolarHBondContact O-N 3.27Å; Y288-G291 VanDerWaalsContact O-N 3.15Å; Y288-T292 PolarHBondContact O-N 3.3Å; Y288-T292 PolarHBondContact O-OG1 3.47Å; Y288-C316 WeakPolarHBondContact OH-CA 3.34Å; Y288-I317 PolarHBondContact OH-N 3.16Å; Y288-C343 WeakPolarHBondContact CA-O 3.29Å; Y288-V344 HydrophobicContact CD2-CB 4.4Å; Y288-V344 HydrophobicContact CE2-CB 4.09Å; Y288-V344 WeakPolarHBondContact CE2-O 3.49Å
289	S	97.8	Very high	95.8	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-58.5	-41.8	174.1	-54.6	0	0	0	0	111.8	L185 W270 V285 D286 T292 I293	L185-S289 WeakPolarHBondContact O-CB 3.43Å; W270-S289 PolarHBondContact O-OG 3.18Å; V285-S289 PolarHBondContact O-N 2.89Å; V285-S289 VanDerWaalsContact O-N 3.09Å; V285-S289 PolarHBondContact O-OG 2.9Å; D286-S289 WeakPolarHBondContact O-CB 3.14Å; D286-S289 PolarHBondContact O-N 3.26Å; S289-T292 WeakPolarHBondContact O-CB 3.43Å; S289-T292 PolarHBondContact O-N 3.31Å; S289-I293 WeakPolarHBondContact O-CG1 3.4Å; S289-I293 PolarHBondContact O-N 3.1Å
290	F	98.7	Very high	96.1	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.9	-44.3	173.7	174.5	-105.8	0	0	0	112.3	G165 I168 A169 L185 D286 V287 Y288 T292 I293 M294 M339 F354 C357 L361	G165-F290 WeakPolarHBondContact O-CE2 3.27Å; I168-F290 HydrophobicContact CB-CD2 4.37Å; I168-F290 HydrophobicContact CB-CE2 4.13Å; I168-F290 HydrophobicContact CG2-CD2 3.78Å; I168-F290 HydrophobicContact CG2-CE2 4.06Å; A169-F290 HydrophobicContact CB-CE2 4.17Å; A169-F290 HydrophobicContact CB-CZ 4.04Å; L185-F290 HydrophobicContact CD2-CB 4.05Å; D286-F290 WeakPolarHBondContact O-CB 3.43Å; D286-F290 PolarHBondContact O-N 3.43Å; V287-F290 WeakPolarHBondContact O-CB 3.45Å; V287-F290 PolarHBondContact O-N 2.92Å; Y288-F290 VanDerWaalsContact C-N 3.29Å; Y288-F290 PolarHBondContact O-N 3.05Å; F290-T292 VanDerWaalsContact C-N 3.28Å; F290-T292 PolarHBondContact O-N 3.48Å; F290-I293 WeakPolarHBondContact O-CA 3.37Å; F290-I293 WeakPolarHBondContact O-CB 3.38Å; F290-I293 PolarHBondContact O-N 2.94Å; F290-M294 HydrophobicContact CD1-CG 4.24Å; F290-M294 HydrophobicContact CE1-CG 3.79Å; F290-M294 HydrophobicContact CE1-SD 4.28Å; F290-M294 HydrophobicContact CE2-CG 4.12Å; F290-M294 HydrophobicContact CE2-SD 3.79Å; F290-M294 HydrophobicContact CZ-CG 3.72Å; F290-M294 HydrophobicContact CZ-SD 3.58Å; F290-M294 VanDerWaalsContact CZ-SD 3.58Å; F290-M294 WeakPolarHBondContact O-CG 3.44Å; F290-M294 PolarHBondContact O-N 3.43Å; F290-M339 HydrophobicContact CE1-CE 3.97Å; F290-M339 HydrophobicContact CZ-CE 4.41Å; F290-F354 HydrophobicContact CB-CE1 3.65Å; F290-F354 HydrophobicContact CB-CZ 3.87Å; F290-F354 HydrophobicContact CD1-CE1 4.03Å; F290-F354 HydrophobicContact CD2-CE1 4.02Å; F290-F354 AromaticContact CG-CE1 3.63Å; F290-F354 HydrophobicContact CG-CE1 3.63Å; F290-F354 HydrophobicContact CG-CZ 4.36Å; F290-C357 HydrophobicContact CE1-CB 4.17Å; F290-L361 HydrophobicContact CZ-CD1 4.07Å
291	G	98.5	Very high	96.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57	-41.5	173.4	0	0	0	0	0	112.5	V287 Y288 I293 M294 C295 V344	V287-G291 PolarHBondContact O-N 3.2Å; Y288-G291 PolarHBondContact O-N 3.27Å; Y288-G291 VanDerWaalsContact O-N 3.15Å; G291-I293 VanDerWaalsContact C-N 3.32Å; G291-I293 PolarHBondContact O-N 3.44Å; G291-M294 PolarHBondContact O-N 2.96Å; G291-C295 PolarHBondContact O-N 2.93Å; G291-C295 PolarHBondContact O-SG 2.88Å; G291-C295 VanDerWaalsContact O-SG 3.34Å; G291-V344 VanDerWaalsContact C-CG1 3.48Å
292	T	98.2	Very high	96.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.5	-37.5	174.2	-57.1	0	0	0	0	112.3	W270 Y288 S289 F290 Q296 A303 L308 I317	W270-T292 HydrophobicContact CD2-CG2 4.48Å; W270-T292 HydrophobicContact CG-CG2 4.02Å; Y288-T292 PolarHBondContact O-N 3.3Å; Y288-T292 PolarHBondContact O-OG1 3.47Å; S289-T292 WeakPolarHBondContact O-CB 3.43Å; S289-T292 PolarHBondContact O-N 3.31Å; F290-T292 VanDerWaalsContact C-N 3.28Å; F290-T292 PolarHBondContact O-N 3.48Å; T292-Q296 WeakPolarHBondContact O-CG 3.31Å; T292-Q296 PolarHBondContact O-N 3.38Å; T292-Q296 VanDerWaalsContact O-N 3.17Å; T292-Q296 PolarHBondContact O-NE2 3.11Å; T292-A303 HydrophobicContact CG2-CB 4.29Å; T292-L308 HydrophobicContact CG2-CD1 4.11Å; T292-I317 HydrophobicContact CG2-CD1 3.87Å; T292-I317 WeakPolarHBondContact OG1-CD1 3.37Å
293	I	98.5	Very high	96.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65	-45.2	172.6	-68.1	169.1	0	0	0	110.5	I168 L185 T187 S289 F290 G291 C295 Q296 L297	I168-I293 HydrophobicContact CD1-CG2 4Å; L185-I293 HydrophobicContact CD1-CD1 4.26Å; L185-I293 HydrophobicContact CD2-CD1 4.32Å; L185-I293 HydrophobicContact CG-CD1 3.79Å; T187-I293 HydrophobicContact CG2-CB 4.39Å; T187-I293 HydrophobicContact CG2-CG1 4.04Å; T187-I293 HydrophobicContact CG2-CG2 4Å; S289-I293 WeakPolarHBondContact O-CG1 3.4Å; S289-I293 PolarHBondContact O-N 3.1Å; F290-I293 WeakPolarHBondContact O-CA 3.37Å; F290-I293 WeakPolarHBondContact O-CB 3.38Å; F290-I293 PolarHBondContact O-N 2.94Å; G291-I293 VanDerWaalsContact C-N 3.32Å; G291-I293 PolarHBondContact O-N 3.44Å; I293-C295 VanDerWaalsContact C-N 3.32Å; I293-C295 PolarHBondContact O-N 2.86Å; I293-Q296 WeakPolarHBondContact O-CB 3.41Å; I293-Q296 PolarHBondContact O-N 2.95Å; I293-Q296 VanDerWaalsContact O-N 3.11Å; I293-L297 HydrophobicContact CG2-CD1 4.02Å; I293-L297 HydrophobicContact CG2-CG 4.27Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 3.43Å
294	M	98.5	Very high	96.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.6	-41.2	178.3	-64.3	-50.8	-64.2	0	0	111.7	I161 F290 G291 Q296 L297 I298 L336 M339 T340 L361	I161-M294 HydrophobicContact CG2-CE 4.35Å; F290-M294 HydrophobicContact CD1-CG 4.24Å; F290-M294 HydrophobicContact CE1-CG 3.79Å; F290-M294 HydrophobicContact CE1-SD 4.28Å; F290-M294 HydrophobicContact CE2-CG 4.12Å; F290-M294 HydrophobicContact CE2-SD 3.79Å; F290-M294 HydrophobicContact CZ-CG 3.72Å; F290-M294 HydrophobicContact CZ-SD 3.58Å; F290-M294 VanDerWaalsContact CZ-SD 3.58Å; F290-M294 WeakPolarHBondContact O-CG 3.44Å; F290-M294 PolarHBondContact O-N 3.43Å; G291-M294 PolarHBondContact O-N 2.96Å; M294-Q296 PolarHBondContact O-N 3.24Å; M294-L297 PolarHBondContact O-N 3.46Å; M294-L297 HydrophobicContact SD-CD1 4.17Å; M294-I298 WeakPolarHBondContact O-CD1 3.22Å; M294-I298 VanDerWaalsContact O-CG1 3.25Å; M294-I298 WeakPolarHBondContact O-CG1 3.33Å; M294-I298 PolarHBondContact O-N 3.21Å; M294-L336 HydrophobicContact CE-CD1 3.53Å; M294-M339 HydrophobicContact CE-CE 4.31Å; M294-M339 HydrophobicContact CG-CE 4.22Å; M294-T340 HydrophobicContact CB-CG2 3.82Å; M294-L361 HydrophobicContact CE-CD2 4.14Å
295	C	97.7	Very high	96.3	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.02	5%	0.053	C	C	.	.	H	α-helix	trans	-57.8	-45.2	172.5	-67.1	0	0	0	0	112.3	G291 I293 L297 I298 L299 L308 L322 T340	G291-C295 PolarHBondContact O-N 2.93Å; G291-C295 PolarHBondContact O-SG 2.88Å; G291-C295 VanDerWaalsContact O-SG 3.34Å; I293-C295 VanDerWaalsContact C-N 3.32Å; I293-C295 PolarHBondContact O-N 2.86Å; C295-L297 VanDerWaalsContact C-N 3.34Å; C295-L297 PolarHBondContact O-N 2.91Å; C295-I298 PolarHBondContact O-N 3.49Å; C295-L299 WeakPolarHBondContact O-CB 3.34Å; C295-L299 PolarHBondContact O-N 3.01Å; C295-L308 HydrophobicContact CB-CD1 3.9Å; C295-L308 HydrophobicContact CB-CD2 4.06Å; C295-L322 HydrophobicContact CB-CD1 4.43Å; C295-T340 VanDerWaalsContact SG-CG2 3.5Å
296	Q	97.4	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-41.7	176.2	-73.8	172.2	73.4	0	0	112.3	C148 T187 T292 I293 M294 R300 S301 A303 L308	C148-Q296 PolarHBondContact SG-O 2.92Å; C148-Q296 VanDerWaalsContact SG-O 3.34Å; T187-Q296 HydrophobicContact CG2-CB 4.46Å; T187-Q296 PolarHBondContact OG1-OE1 3.4Å; T292-Q296 WeakPolarHBondContact O-CG 3.31Å; T292-Q296 PolarHBondContact O-N 3.38Å; T292-Q296 VanDerWaalsContact O-N 3.17Å; T292-Q296 PolarHBondContact O-NE2 3.11Å; I293-Q296 WeakPolarHBondContact O-CB 3.41Å; I293-Q296 PolarHBondContact O-N 2.95Å; I293-Q296 VanDerWaalsContact O-N 3.11Å; M294-Q296 PolarHBondContact O-N 3.24Å; Q296-R300 WeakPolarHBondContact O-CA 3.41Å; Q296-R300 PolarHBondContact O-N 2.98Å; Q296-S301 WeakPolarHBondContact CB-O 3.39Å; Q296-S301 WeakPolarHBondContact CG-O 3.39Å; Q296-S301 PolarHBondContact O-N 3.05Å; Q296-A303 HydrophobicContact CG-CB 4.31Å; Q296-L308 HydrophobicContact CG-CD1 3.97Å
297	L	97.6	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-41	179.9	-66.1	176.1	0	0	0	112	L144 F156 I161 F164 I293 M294 C295	L144-L297 HydrophobicContact CD1-CD2 4.08Å; L144-L297 HydrophobicContact CD2-CD1 4.47Å; L144-L297 HydrophobicContact CD2-CD2 4.08Å; L144-L297 HydrophobicContact CG-CD2 4.14Å; F156-L297 HydrophobicContact CD2-CD2 4.39Å; F156-L297 HydrophobicContact CE2-CD2 3.8Å; I161-L297 WeakPolarHBondContact CD1-O 3.46Å; I161-L297 HydrophobicContact CG2-CB 3.96Å; F164-L297 HydrophobicContact CB-CD1 4.17Å; F164-L297 HydrophobicContact CD2-CD2 4.48Å; I293-L297 HydrophobicContact CG2-CD1 4.02Å; I293-L297 HydrophobicContact CG2-CG 4.27Å; I293-L297 WeakPolarHBondContact O-CG 3.49Å; I293-L297 PolarHBondContact O-N 3.43Å; M294-L297 PolarHBondContact O-N 3.46Å; M294-L297 HydrophobicContact SD-CD1 4.17Å; C295-L297 VanDerWaalsContact C-N 3.34Å; C295-L297 PolarHBondContact O-N 2.91Å
298	I	96.6	Very high	95.4	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-48	177	-68.3	164.8	0	0	0	110.8	W158 M294 C295 F328 T332 L336 T340	W158-I298 HydrophobicContact CH2-CG2 4.24Å; W158-I298 HydrophobicContact CZ3-CG1 4.23Å; W158-I298 HydrophobicContact CZ3-CG2 4.45Å; M294-I298 WeakPolarHBondContact O-CD1 3.22Å; M294-I298 VanDerWaalsContact O-CG1 3.25Å; M294-I298 WeakPolarHBondContact O-CG1 3.33Å; M294-I298 PolarHBondContact O-N 3.21Å; C295-I298 PolarHBondContact O-N 3.49Å; I298-F328 HydrophobicContact CG2-CE2 4.17Å; I298-F328 HydrophobicContact CG2-CZ 4Å; I298-T332 HydrophobicContact CG2-CG2 4.34Å; I298-L336 HydrophobicContact CD1-CD2 4.25Å; I298-L336 HydrophobicContact CD1-CG 4.21Å; I298-L336 HydrophobicContact CG1-CD2 4.15Å; I298-T340 HydrophobicContact CD1-CG2 4.28Å
299	L	95.3	Very high	95.1	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-86.1	-11.7	-175.9	-74.1	168.5	0	0	0	114	C295 S301 L308 L322 K327 F328	C295-L299 WeakPolarHBondContact O-CB 3.34Å; C295-L299 PolarHBondContact O-N 3.01Å; L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.39Å; L299-L308 HydrophobicContact CD1-CD2 3.54Å; L299-L322 HydrophobicContact CD1-CD1 4.22Å; L299-L322 HydrophobicContact CD1-CD2 4.04Å; L299-K327 HydrophobicContact CD2-CG 4.35Å; L299-F328 HydrophobicContact CD2-CB 4.27Å; L299-F328 HydrophobicContact CD2-CD2 3.7Å; L299-F328 HydrophobicContact CD2-CE2 4.42Å; L299-F328 HydrophobicContact CD2-CG 4.29Å; L299-F328 HydrophobicContact CG-CD2 4.32Å
300	R	95.3	Very high	94.9	Very high	27 Å²	27	21.9 Å²	21.9	10%	0.102	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	55	-171.5	-63	-80.6	-64.6	162.1	13.3	110.2	L147 C148 D150 K151 Y154 F156 Q296	L147-R300 VanDerWaalsContact O-CZ 3.28Å; L147-R300 PolarHBondContact O-NH1 3.44Å; L147-R300 PolarHBondContact O-NH2 3.26Å; C148-R300 PolarHBondContact O-NE 3.13Å; C148-R300 PolarHBondContact O-NH1 2.82Å; C148-R300 PolarHBondContact O-NH2 2.73Å; D150-R300 PolarHBondContact O-NH2 3.2Å; K151-R300 HydrophobicContact CD-CB 4.31Å; K151-R300 WeakPolarHBondContact CE-O 3.36Å; K151-R300 HydrophobicContact CG-CB 4.48Å; K151-R300 PolarHBondContact NZ-O 3.48Å; Y154-R300 PolarHBondContact O-NH2 3.33Å; Y154-R300 VanDerWaalsContact O-NH2 3.07Å; F156-R300 VanDerWaalsContact CG-NH1 3.31Å; Q296-R300 WeakPolarHBondContact O-CA 3.41Å; Q296-R300 PolarHBondContact O-N 2.98Å
301	S	94.4	Very high	94.6	Very high	11 Å²	11	24.7 Å²	24.7	8%	0.077	13%	0.133	C	C	.	.			trans	-138.5	172.5	-174.2	69.5	0	0	0	0	112.3	Q296 L299	Q296-S301 WeakPolarHBondContact CB-O 3.39Å; Q296-S301 WeakPolarHBondContact CG-O 3.39Å; Q296-S301 PolarHBondContact O-N 3.05Å; L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.39Å
302	N	93.5	Very high	94.1	Very high	48 Å²	48	31 Å²	31	26%	0.257	17%	0.171	S	C	.	.			trans	-74.6	169.5	173	-159.6	-3.4	0	0	0	110.8	H145 L149 D304 S307 L308	H145-N302 PolarHBondContact CE1-OD1 3.11Å; L149-N302 HydrophobicContact CD2-CB 4.31Å; N302-D304 VanDerWaalsContact CB-OD2 3.23Å; N302-D304 WeakPolarHBondContact CB-OD2 3.36Å; N302-D304 PolarHBondContact ND2-OD2 2.87Å; N302-S307 WeakPolarHBondContact O-CB 3.23Å; N302-L308 WeakPolarHBondContact O-CG 3.48Å
303	A	94.5	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-89.2	-8.5	179.5	0	0	0	0	0	114.5	W270 T292 Q296 L308 R310	W270-A303 HydrophobicContact CD2-CB 4.1Å; W270-A303 HydrophobicContact CE3-CB 4.13Å; W270-A303 HydrophobicContact CH2-CB 3.4Å; W270-A303 HydrophobicContact CZ2-CB 3.37Å; W270-A303 HydrophobicContact CZ3-CB 3.8Å; T292-A303 HydrophobicContact CG2-CB 4.29Å; Q296-A303 HydrophobicContact CG-CB 4.31Å; A303-L308 HydrophobicContact CB-CD1 4.49Å; A303-R310 PolarHBondContact O-NH2 3.26Å
304	D	92	Very high	93.3	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.16	23%	0.225	C	C	.	.	S	Bend	trans	-56	154.5	-179.7	55	52.6	0	0	0	111.9	Y269 N302 D306 S307 L308	Y269-D304 HydrophobicContact CD2-CB 4.34Å; Y269-D304 HydrophobicContact CE2-CB 4.01Å; N302-D304 VanDerWaalsContact CB-OD2 3.23Å; N302-D304 WeakPolarHBondContact CB-OD2 3.36Å; N302-D304 PolarHBondContact ND2-OD2 2.87Å; D304-D306 PolarHBondContact O-N 2.85Å; D304-D306 VanDerWaalsContact O-N 3.16Å; D304-D306 PolarHBondContact OD1-N 3.48Å; D304-S307 PolarHBondContact O-N 2.75Å; D304-S307 WeakPolarHBondContact OD1-CB 3.12Å; D304-S307 PolarHBondContact OD1-N 2.87Å; D304-S307 PolarHBondContact OD1-OG 3.06Å; D304-L308 PolarHBondContact O-N 3.49Å
305	P	89.1	Confident	92.9	Very high	62 Å²	62	46.4 Å²	46.4	40%	0.403	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.2	-178.5	-26.4	36.3	0	0	0	114.8	Y269	Y269-P305 HydrophobicContact CD1-CG 4.4Å; Y269-P305 HydrophobicContact CE1-CG 4.15Å
306	D	88.3	Confident	92.6	Very high	152 Å²	152	46.7 Å²	46.7	81%	0.813	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-31.4	177.1	-61.2	-24.1	0	0	0	111.6	D304	D304-D306 PolarHBondContact O-N 2.85Å; D304-D306 VanDerWaalsContact O-N 3.16Å; D304-D306 PolarHBondContact OD1-N 3.48Å
307	S	90.4	Very high	92.5	Very high	22 Å²	22	47.1 Å²	47.1	15%	0.154	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-45.9	179.2	-63	0	0	0	0	112.7	N302 D304 K327	N302-S307 WeakPolarHBondContact O-CB 3.23Å; D304-S307 PolarHBondContact O-N 2.75Å; D304-S307 WeakPolarHBondContact OD1-CB 3.12Å; D304-S307 PolarHBondContact OD1-N 2.87Å; D304-S307 PolarHBondContact OD1-OG 3.06Å; S307-K327 PolarHBondContact O-NZ 3.04Å
308	L	93.1	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-112.2	97.7	178.4	-62.1	-169.2	0	0	0	109.8	T292 C295 Q296 L299 N302 A303 D304 R310 I317 L322	T292-L308 HydrophobicContact CG2-CD1 4.11Å; C295-L308 HydrophobicContact CB-CD1 3.9Å; C295-L308 HydrophobicContact CB-CD2 4.06Å; Q296-L308 HydrophobicContact CG-CD1 3.97Å; L299-L308 HydrophobicContact CD1-CD2 3.54Å; N302-L308 WeakPolarHBondContact O-CG 3.48Å; A303-L308 HydrophobicContact CB-CD1 4.49Å; D304-L308 PolarHBondContact O-N 3.49Å; L308-R310 PolarHBondContact O-N 3.16Å; L308-I317 HydrophobicContact CD1-CD1 4.11Å; L308-L322 HydrophobicContact CD2-CD1 4.31Å; L308-L322 HydrophobicContact CD2-CD2 4.35Å
309	I	92.4	Very high	92.1	Very high	54 Å²	54	49.5 Å²	49.5	28%	0.277	26%	0.262	S	S	.	.			trans	-56.1	133.3	179.8	-59.1	173.5	0	0	0	110.2	D318 E321 L322 L325	I309-D318 PolarHBondContact O-N 2.93Å; I309-D318 VanDerWaalsContact O-N 3.09Å; I309-E321 HydrophobicContact CB-CB 4.38Å; I309-E321 HydrophobicContact CD1-CB 4.19Å; I309-E321 HydrophobicContact CG2-CB 3.93Å; I309-L322 HydrophobicContact CB-CD2 4.07Å; I309-L322 HydrophobicContact CG1-CD2 4.27Å; I309-L325 HydrophobicContact CD1-CD1 4.31Å; I309-L325 HydrophobicContact CD1-CD2 3.81Å; I309-L325 HydrophobicContact CD1-CG 4.23Å
310	R	93.1	Very high	92	Very high	38 Å²	38	54.4 Å²	54.4	14%	0.143	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-123.8	147.1	177	-66.7	165.9	-162.5	-91.2	-4.1	110.3	Y269 A303 L308 C316 I317	Y269-R310 VanDerWaalsContact O-CZ 3.24Å; Y269-R310 PolarHBondContact O-NH1 3.11Å; Y269-R310 VanDerWaalsContact O-NH1 3.13Å; Y269-R310 PolarHBondContact O-NH2 3.15Å; A303-R310 PolarHBondContact O-NH2 3.26Å; L308-R310 PolarHBondContact O-N 3.16Å; R310-C316 CarbonylContact C-O 3.59Å; R310-C316 WeakPolarHBondContact CA-O 3.34Å; R310-C316 VanDerWaalsContact CB-O 3.32Å; R310-C316 WeakPolarHBondContact CB-O 3.15Å; R310-I317 HydrophobicContact CG-CG1 4.22Å
311	D	92	Very high	91.9	Very high	58 Å²	58	56.5 Å²	56.5	31%	0.31	30%	0.299	S	S	.	.			trans	-66.9	133.2	170.6	169.4	-99.7	0	0	0	110.1	K313 T314 L315 C316	D311-K313 VanDerWaalsContact C-N 3.25Å; D311-K313 PolarHBondContact O-N 3.42Å; D311-K313 WeakPolarHBondContact OD1-CB 3.41Å; D311-K313 PolarHBondContact OD1-N 3.13Å; D311-K313 VanDerWaalsContact OD1-N 3.07Å; D311-T314 WeakPolarHBondContact CB-OG1 3.47Å; D311-T314 WeakPolarHBondContact OD1-CB 3.48Å; D311-T314 WeakPolarHBondContact OD1-CG2 3.39Å; D311-T314 PolarHBondContact OD1-N 3.41Å; D311-T314 PolarHBondContact OD1-OG1 3.39Å; D311-L315 VanDerWaalsContact O-CA 3.25Å; D311-L315 WeakPolarHBondContact O-CA 3.44Å; D311-L315 PolarHBondContact O-N 2.67Å; D311-C316 PolarHBondContact N-O 3.28Å
312	V	88.8	Confident	91.8	Very high	134 Å²	134	56 Å²	56	81%	0.812	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.1	-172.3	-178.5	0	0	0	0	112
313	K	89.5	Confident	91.8	Very high	193 Å²	193	57.6 Å²	57.6	84%	0.839	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-42.1	-175.6	-66.3	178.8	179.2	175.9	0	112.2	D311	D311-K313 VanDerWaalsContact C-N 3.25Å; D311-K313 PolarHBondContact O-N 3.42Å; D311-K313 WeakPolarHBondContact OD1-CB 3.41Å; D311-K313 PolarHBondContact OD1-N 3.13Å; D311-K313 VanDerWaalsContact OD1-N 3.07Å
314	T	90	Very high	91.7	Very high	48 Å²	48	64 Å²	64	29%	0.294	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-17.1	-171.5	60.5	0	0	0	0	112.8	D311 C316 L346	D311-T314 WeakPolarHBondContact CB-OG1 3.47Å; D311-T314 WeakPolarHBondContact OD1-CB 3.48Å; D311-T314 WeakPolarHBondContact OD1-CG2 3.39Å; D311-T314 PolarHBondContact OD1-N 3.41Å; D311-T314 PolarHBondContact OD1-OG1 3.39Å; T314-C316 PolarHBondContact O-N 2.88Å; T314-C316 VanDerWaalsContact O-N 3.08Å; T314-C316 PolarHBondContact OG1-N 3.21Å; T314-L346 HydrophobicContact CG2-CD2 3.84Å
315	L	89.5	Confident	91.7	Very high	82 Å²	82	64.5 Å²	64.5	43%	0.429	33%	0.333	S	S	.	.			trans	60.7	7.5	-172.5	-52.1	174.8	0	0	0	113.9	I276 D311	I276-L315 HydrophobicContact CG2-CD1 4.09Å; D311-L315 VanDerWaalsContact O-CA 3.25Å; D311-L315 WeakPolarHBondContact O-CA 3.44Å; D311-L315 PolarHBondContact O-N 2.67Å
316	C	92.9	Very high	91.7	Very high	8 Å²	8	70.4 Å²	70.4	5%	0.054	36%	0.355	C	S	.	.			trans	-69.9	147.3	174.2	-80.5	0	0	0	0	111.4	P273 Y288 R310 D311 T314 D318 L346	P273-C316 WeakPolarHBondContact CG-SG 3.48Å; Y288-C316 WeakPolarHBondContact OH-CA 3.34Å; R310-C316 CarbonylContact C-O 3.59Å; R310-C316 WeakPolarHBondContact CA-O 3.34Å; R310-C316 VanDerWaalsContact CB-O 3.32Å; R310-C316 WeakPolarHBondContact CB-O 3.15Å; D311-C316 PolarHBondContact N-O 3.28Å; T314-C316 PolarHBondContact O-N 2.88Å; T314-C316 VanDerWaalsContact O-N 3.08Å; T314-C316 PolarHBondContact OG1-N 3.21Å; C316-D318 PolarHBondContact O-N 3.2Å; C316-L346 VanDerWaalsContact SG-CA 3.59Å; C316-L346 VanDerWaalsContact SG-CD1 3.52Å
317	I	94.5	Very high	91.8	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.046	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-62.4	126.8	166.2	-67.4	172.5	0	0	0	109.3	Y288 T292 L308 R310 M319 L322 V344	Y288-I317 PolarHBondContact OH-N 3.16Å; T292-I317 HydrophobicContact CG2-CD1 3.87Å; T292-I317 WeakPolarHBondContact OG1-CD1 3.37Å; L308-I317 HydrophobicContact CD1-CD1 4.11Å; R310-I317 HydrophobicContact CG-CG1 4.22Å; I317-M319 HydrophobicContact CG2-SD 4.27Å; I317-M319 PolarHBondContact O-N 3.37Å; I317-L322 HydrophobicContact CG2-CD1 3.42Å; I317-L322 VanDerWaalsContact CG2-CD1 3.42Å; I317-L322 HydrophobicContact CG2-CG 4.26Å; I317-V344 HydrophobicContact CB-CB 4.23Å; I317-V344 HydrophobicContact CB-CG1 4.4Å; I317-V344 HydrophobicContact CB-CG2 4.32Å; I317-V344 HydrophobicContact CD1-CG1 4.09Å; I317-V344 HydrophobicContact CG2-CG2 4.43Å
318	D	92.9	Very high	91.9	Very high	44 Å²	44	68 Å²	68	24%	0.235	34%	0.335	C	S	.	.			trans	-94	98.1	175.4	-169.7	-30.2	0	0	0	110	I309 C316 N320 E321 L322	I309-D318 PolarHBondContact O-N 2.93Å; I309-D318 VanDerWaalsContact O-N 3.09Å; C316-D318 PolarHBondContact O-N 3.2Å; D318-N320 PolarHBondContact O-N 2.69Å; D318-N320 WeakPolarHBondContact OD1-CA 3.47Å; D318-N320 WeakPolarHBondContact OD1-CB 3.45Å; D318-N320 PolarHBondContact OD1-N 2.95Å; D318-E321 HydrophobicContact CB-CB 4.1Å; D318-E321 HydrophobicContact CB-CG 4.16Å; D318-E321 PolarHBondContact O-N 3.34Å; D318-E321 PolarHBondContact OD1-N 3.35Å; D318-E321 VanDerWaalsContact OD1-N 3.1Å; D318-L322 WeakPolarHBondContact O-CG 3.42Å; D318-L322 PolarHBondContact O-N 2.96Å
319	M	93.4	Very high	92	Very high	11 Å²	11	69.7 Å²	69.7	5%	0.054	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-30.8	178.7	-73.1	-61.8	-63.2	0	0	113.4	I317 L322 M323 L337 T340 V344	I317-M319 HydrophobicContact CG2-SD 4.27Å; I317-M319 PolarHBondContact O-N 3.37Å; M319-L322 PolarHBondContact O-N 3.17Å; M319-L322 HydrophobicContact SD-CD1 4.01Å; M319-M323 WeakPolarHBondContact O-CB 3.48Å; M319-M323 WeakPolarHBondContact O-CG 3.38Å; M319-M323 PolarHBondContact O-N 3.47Å; M319-L337 HydrophobicContact CE-CD1 3.56Å; M319-T340 HydrophobicContact CE-CG2 4.08Å; M319-T340 HydrophobicContact SD-CG2 4.21Å; M319-V344 HydrophobicContact CG-CG2 3.65Å; M319-V344 HydrophobicContact SD-CG2 4.18Å
320	N	92.4	Very high	91.9	Very high	111 Å²	111	73.9 Å²	73.9	59%	0.594	37%	0.367	S	S	*	.	H	α-helix	trans	-69.8	-41.6	179.7	-63.3	-47	0	0	0	110.5	D318 K324	D318-N320 PolarHBondContact O-N 2.69Å; D318-N320 WeakPolarHBondContact OD1-CA 3.47Å; D318-N320 WeakPolarHBondContact OD1-CB 3.45Å; D318-N320 PolarHBondContact OD1-N 2.95Å; N320-K324 WeakPolarHBondContact O-CG 3.35Å; N320-K324 PolarHBondContact O-N 3.4Å
321	E	92.6	Very high	91.9	Very high	72 Å²	72	77 Å²	77	34%	0.336	39%	0.386	S	S	.	.	H	α-helix	trans	-68.8	-39.5	174.4	-65.5	-53.6	129	0	0	111.7	I309 D318 M323 K324	I309-E321 HydrophobicContact CB-CB 4.38Å; I309-E321 HydrophobicContact CD1-CB 4.19Å; I309-E321 HydrophobicContact CG2-CB 3.93Å; D318-E321 HydrophobicContact CB-CB 4.1Å; D318-E321 HydrophobicContact CB-CG 4.16Å; D318-E321 PolarHBondContact O-N 3.34Å; D318-E321 PolarHBondContact OD1-N 3.35Å; D318-E321 VanDerWaalsContact OD1-N 3.1Å; E321-M323 VanDerWaalsContact C-N 3.32Å; E321-M323 PolarHBondContact O-N 3.38Å; E321-K324 PolarHBondContact O-N 2.8Å; E321-K324 VanDerWaalsContact O-N 3.15Å; E321-K324 IonicContact OE1-NZ 2.85Å; E321-K324 PolarHBondContact OE1-NZ 2.89Å; E321-K324 IonicContact OE2-NZ 2.87Å
322	L	93.5	Very high	92	Very high	1 Å²	1	74.8 Å²	74.8	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-58.6	-43.3	174.3	-71	-173.2	0	0	0	112.3	C295 L299 L308 I309 I317 D318 M319 K324 L325 F328	C295-L322 HydrophobicContact CB-CD1 4.43Å; L299-L322 HydrophobicContact CD1-CD1 4.22Å; L299-L322 HydrophobicContact CD1-CD2 4.04Å; L308-L322 HydrophobicContact CD2-CD1 4.31Å; L308-L322 HydrophobicContact CD2-CD2 4.35Å; I309-L322 HydrophobicContact CB-CD2 4.07Å; I309-L322 HydrophobicContact CG1-CD2 4.27Å; I317-L322 HydrophobicContact CG2-CD1 3.42Å; I317-L322 VanDerWaalsContact CG2-CD1 3.42Å; I317-L322 HydrophobicContact CG2-CG 4.26Å; D318-L322 WeakPolarHBondContact O-CG 3.42Å; D318-L322 PolarHBondContact O-N 2.96Å; M319-L322 PolarHBondContact O-N 3.17Å; M319-L322 HydrophobicContact SD-CD1 4.01Å; L322-K324 PolarHBondContact O-N 3.39Å; L322-L325 HydrophobicContact CD2-CD1 3.77Å; L322-L325 VanDerWaalsContact O-CB 3.25Å; L322-L325 WeakPolarHBondContact O-CB 3.48Å; L322-L325 WeakPolarHBondContact O-CG 3.34Å; L322-L325 PolarHBondContact O-N 3.15Å; L322-L325 VanDerWaalsContact O-N 3.16Å; L322-F328 HydrophobicContact CB-CD2 4.49Å; L322-F328 WeakPolarHBondContact O-CD2 3.5Å
323	M	92.8	Very high	92.3	Very high	80 Å²	80	68.4 Å²	68.4	39%	0.394	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-19.9	179.7	-73.2	171.7	62.6	0	0	113.8	M319 E321 L325 F328 L337	M319-M323 WeakPolarHBondContact O-CB 3.48Å; M319-M323 WeakPolarHBondContact O-CG 3.38Å; M319-M323 PolarHBondContact O-N 3.47Å; E321-M323 VanDerWaalsContact C-N 3.32Å; E321-M323 PolarHBondContact O-N 3.38Å; M323-L325 VanDerWaalsContact C-N 3.34Å; M323-F328 HydrophobicContact CG-CD2 4.48Å; M323-F328 HydrophobicContact CG-CE1 4.19Å; M323-F328 HydrophobicContact CG-CE2 4.05Å; M323-F328 HydrophobicContact CG-CZ 3.91Å; M323-L337 HydrophobicContact CE-CD2 3.61Å; M323-L337 HydrophobicContact CG-CD1 4.13Å; M323-L337 HydrophobicContact SD-CD1 3.84Å; M323-L337 HydrophobicContact SD-CD2 3.78Å; M323-L337 HydrophobicContact SD-CG 4.22Å
324	K	93.1	Very high	92.6	Very high	136 Å²	136	62 Å²	62	59%	0.591	32%	0.315	S	S	*	.	H	α-helix	trans	-80.6	-16.3	175.7	-68.2	169.7	-169.8	173.9	0	112.9	N320 E321 L322 E326	N320-K324 WeakPolarHBondContact O-CG 3.35Å; N320-K324 PolarHBondContact O-N 3.4Å; E321-K324 PolarHBondContact O-N 2.8Å; E321-K324 VanDerWaalsContact O-N 3.15Å; E321-K324 IonicContact OE1-NZ 2.85Å; E321-K324 PolarHBondContact OE1-NZ 2.89Å; E321-K324 IonicContact OE2-NZ 2.87Å; L322-K324 PolarHBondContact O-N 3.39Å; K324-E326 PolarHBondContact O-N 3.27Å
325	L	91.6	Very high	92.8	Very high	40 Å²	40	61.6 Å²	61.6	21%	0.209	31%	0.31	C	S	.	.	S	Bend	trans	-60.1	137.3	179.5	-65.9	171.9	0	0	0	111	I309 L322 M323 K327 F328	I309-L325 HydrophobicContact CD1-CD1 4.31Å; I309-L325 HydrophobicContact CD1-CD2 3.81Å; I309-L325 HydrophobicContact CD1-CG 4.23Å; L322-L325 HydrophobicContact CD2-CD1 3.77Å; L322-L325 VanDerWaalsContact O-CB 3.25Å; L322-L325 WeakPolarHBondContact O-CB 3.48Å; L322-L325 WeakPolarHBondContact O-CG 3.34Å; L322-L325 PolarHBondContact O-N 3.15Å; L322-L325 VanDerWaalsContact O-N 3.16Å; M323-L325 VanDerWaalsContact C-N 3.34Å; L325-K327 HydrophobicContact CB-CG 4.07Å; L325-K327 PolarHBondContact O-N 3.44Å; L325-F328 HydrophobicContact CB-CB 4.38Å; L325-F328 VanDerWaalsContact O-CB 3.29Å; L325-F328 WeakPolarHBondContact O-CB 3.37Å; L325-F328 PolarHBondContact O-N 3.17Å
326	E	90	Very high	93.2	Very high	186 Å²	186	57.7 Å²	57.7	87%	0.869	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-36.8	176.6	-172.9	-179	-178.5	0	0	112	K324 F328	K324-E326 PolarHBondContact O-N 3.27Å; E326-F328 PolarHBondContact O-N 3.02Å
327	K	89.3	Confident	93.3	Very high	104 Å²	104	59 Å²	59	45%	0.452	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.9	177.7	64.2	178	178.7	-176.9	0	114.6	L299 S307 L325 P329	L299-K327 HydrophobicContact CD2-CG 4.35Å; S307-K327 PolarHBondContact O-NZ 3.04Å; L325-K327 HydrophobicContact CB-CG 4.07Å; L325-K327 PolarHBondContact O-N 3.44Å; K327-P329 WeakPolarHBondContact O-CD 3.41Å
328	F	93.6	Very high	93.5	Very high	20 Å²	20	62.7 Å²	62.7	9%	0.088	32%	0.316	C	S	.	.	S	Bend	trans	-72.8	124.6	-178.5	-164	-80	0	0	0	110.5	I298 L299 L322 M323 L325 E326 I330 T332 L337	I298-F328 HydrophobicContact CG2-CE2 4.17Å; I298-F328 HydrophobicContact CG2-CZ 4Å; L299-F328 HydrophobicContact CD2-CB 4.27Å; L299-F328 HydrophobicContact CD2-CD2 3.7Å; L299-F328 HydrophobicContact CD2-CE2 4.42Å; L299-F328 HydrophobicContact CD2-CG 4.29Å; L299-F328 HydrophobicContact CG-CD2 4.32Å; L322-F328 HydrophobicContact CB-CD2 4.49Å; L322-F328 WeakPolarHBondContact O-CD2 3.5Å; M323-F328 HydrophobicContact CG-CD2 4.48Å; M323-F328 HydrophobicContact CG-CE1 4.19Å; M323-F328 HydrophobicContact CG-CE2 4.05Å; M323-F328 HydrophobicContact CG-CZ 3.91Å; L325-F328 HydrophobicContact CB-CB 4.38Å; L325-F328 VanDerWaalsContact O-CB 3.29Å; L325-F328 WeakPolarHBondContact O-CB 3.37Å; L325-F328 PolarHBondContact O-N 3.17Å; E326-F328 PolarHBondContact O-N 3.02Å; F328-I330 PolarHBondContact O-N 2.94Å; F328-I330 VanDerWaalsContact O-N 3.15Å; F328-T332 HydrophobicContact CE1-CG2 4.45Å; F328-T332 WeakPolarHBondContact CE1-OG1 3.49Å; F328-L337 HydrophobicContact CZ-CD1 3.91Å
329	P	93.9	Very high	93.7	Very high	34 Å²	34	60.7 Å²	60.7	22%	0.221	31%	0.305	C	S	.	.			trans	-64.5	116.1	-178.1	-23	34.3	0	0	0	112.7	W158 K327 N331 T332	W158-P329 HydrophobicContact CH2-CB 3.87Å; W158-P329 HydrophobicContact CH2-CG 4.15Å; W158-P329 HydrophobicContact CZ2-CB 3.66Å; W158-P329 HydrophobicContact CZ2-CG 4.36Å; K327-P329 WeakPolarHBondContact O-CD 3.41Å; P329-N331 PolarHBondContact O-N 3.31Å; P329-T332 WeakPolarHBondContact O-CB 3.45Å; P329-T332 PolarHBondContact O-N 3.19Å; P329-T332 VanDerWaalsContact O-N 3.16Å; P329-T332 PolarHBondContact O-OG1 2.76Å
330	I	91.4	Very high	93.9	Very high	142 Å²	142	60.1 Å²	60.1	73%	0.728	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31	-179.6	-71.6	168.8	0	0	0	112.2	F328 T332	F328-I330 PolarHBondContact O-N 2.94Å; F328-I330 VanDerWaalsContact O-N 3.15Å; I330-T332 VanDerWaalsContact C-N 3.28Å; I330-T332 PolarHBondContact O-N 3.22Å
331	N	91.8	Very high	94.2	Very high	103 Å²	103	57.4 Å²	57.4	55%	0.551	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	20.2	-178.5	66.1	-23.8	0	0	0	113.7	W158 P329 P333	W158-N331 PolarHBondContact NE1-ND2 3.47Å; W158-N331 PolarHBondContact NE1-O 3.37Å; W158-N331 VanDerWaalsContact NE1-O 3.16Å; P329-N331 PolarHBondContact O-N 3.31Å; N331-P333 WeakPolarHBondContact O-CD 3.39Å
332	T	94.7	Very high	94.4	Very high	12 Å²	12	57 Å²	57	7%	0.074	29%	0.29	C	S	.	.			trans	-61.1	124.1	175.5	-58.4	0	0	0	0	110.2	W158 I298 F328 P329 I330 L336 L337	W158-T332 HydrophobicContact CH2-CG2 3.86Å; W158-T332 WeakPolarHBondContact CH2-OG1 3.2Å; W158-T332 VanDerWaalsContact CZ2-CA 3.41Å; W158-T332 HydrophobicContact CZ3-CG2 4.1Å; I298-T332 HydrophobicContact CG2-CG2 4.34Å; F328-T332 HydrophobicContact CE1-CG2 4.45Å; F328-T332 WeakPolarHBondContact CE1-OG1 3.49Å; P329-T332 WeakPolarHBondContact O-CB 3.45Å; P329-T332 PolarHBondContact O-N 3.19Å; P329-T332 VanDerWaalsContact O-N 3.16Å; P329-T332 PolarHBondContact O-OG1 2.76Å; I330-T332 VanDerWaalsContact C-N 3.28Å; I330-T332 PolarHBondContact O-N 3.22Å; T332-L336 HydrophobicContact CG2-CD2 4.46Å; T332-L337 HydrophobicContact CG2-CB 4.28Å
333	P	95	Very high	94.7	Very high	1 Å²	1	57 Å²	57	1%	0.006	29%	0.29	C	S	.	.			trans	-57.3	130.1	-179.5	-28	36	0	0	0	112	W158 N331 I335 L336 L337 C364 L368	W158-P333 HydrophobicContact CB-CG 4.42Å; W158-P333 HydrophobicContact CD2-CG 4.15Å; W158-P333 HydrophobicContact CE3-CG 4.41Å; W158-P333 HydrophobicContact CG-CG 4.13Å; N331-P333 WeakPolarHBondContact O-CD 3.39Å; P333-I335 PolarHBondContact O-N 3.45Å; P333-I335 VanDerWaalsContact O-N 3.17Å; P333-L336 HydrophobicContact CB-CB 4.09Å; P333-L336 WeakPolarHBondContact O-CB 3.24Å; P333-L336 PolarHBondContact O-N 2.87Å; P333-L337 PolarHBondContact O-N 3.09Å; P333-C364 WeakPolarHBondContact CB-SG 3.49Å; P333-L368 HydrophobicContact CG-CD1 4.32Å; P333-L368 HydrophobicContact CG-CD2 4.05Å; P333-L368 HydrophobicContact CG-CG 4.49Å
334	P	94.8	Very high	94.9	Very high	59 Å²	59	53.4 Å²	53.4	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-58.3	-34	-176.5	-28.6	35.3	0	0	0	114.2	L337 N338	P334-L337 PolarHBondContact O-N 3.24Å; P334-N338 WeakPolarHBondContact O-CB 3.45Å; P334-N338 PolarHBondContact O-N 3.2Å
335	I	95.8	Very high	95.1	Very high	38 Å²	38	48 Å²	48	20%	0.195	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-45.7	177	-59.8	170	0	0	0	110.3	P333 M339 L360 Q363 C364 Y367	P333-I335 PolarHBondContact O-N 3.45Å; P333-I335 VanDerWaalsContact O-N 3.17Å; I335-M339 WeakPolarHBondContact O-CB 3.5Å; I335-M339 PolarHBondContact O-N 3.44Å; I335-L360 HydrophobicContact CG2-CD2 4.39Å; I335-L360 WeakPolarHBondContact CG2-O 3.25Å; I335-Q363 HydrophobicContact CD1-CG 4.08Å; I335-C364 HydrophobicContact CB-CB 4.23Å; I335-C364 HydrophobicContact CG2-CB 4.06Å; I335-Y367 HydrophobicContact CD1-CG 4.44Å
336	L	96.9	Very high	95.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-43.8	177.9	-179.1	63.3	0	0	0	111.3	W158 I161 I162 M294 I298 T332 P333 M339 T340 L361	W158-L336 HydrophobicContact CE3-CD2 3.87Å; W158-L336 HydrophobicContact CZ3-CD2 3.87Å; I161-L336 HydrophobicContact CG2-CD2 4.24Å; I162-L336 HydrophobicContact CG1-CD1 4.34Å; I162-L336 HydrophobicContact CG1-CD2 4.21Å; M294-L336 HydrophobicContact CE-CD1 3.53Å; I298-L336 HydrophobicContact CD1-CD2 4.25Å; I298-L336 HydrophobicContact CD1-CG 4.21Å; I298-L336 HydrophobicContact CG1-CD2 4.15Å; T332-L336 HydrophobicContact CG2-CD2 4.46Å; P333-L336 HydrophobicContact CB-CB 4.09Å; P333-L336 WeakPolarHBondContact O-CB 3.24Å; P333-L336 PolarHBondContact O-N 2.87Å; L336-M339 HydrophobicContact CD1-CE 4.18Å; L336-T340 WeakPolarHBondContact O-CB 3.43Å; L336-T340 PolarHBondContact O-N 3.49Å; L336-T340 PolarHBondContact O-OG1 3.03Å; L336-L361 HydrophobicContact CD1-CD2 3.9Å
337	L	96.5	Very high	95.5	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-49.7	179.5	-179.2	63.6	0	0	0	111.7	M319 M323 F328 T332 P333 P334 M339 T340 S341	M319-L337 HydrophobicContact CE-CD1 3.56Å; M323-L337 HydrophobicContact CE-CD2 3.61Å; M323-L337 HydrophobicContact CG-CD1 4.13Å; M323-L337 HydrophobicContact SD-CD1 3.84Å; M323-L337 HydrophobicContact SD-CD2 3.78Å; M323-L337 HydrophobicContact SD-CG 4.22Å; F328-L337 HydrophobicContact CZ-CD1 3.91Å; T332-L337 HydrophobicContact CG2-CB 4.28Å; P333-L337 PolarHBondContact O-N 3.09Å; P334-L337 PolarHBondContact O-N 3.24Å; L337-M339 PolarHBondContact O-N 3.21Å; L337-T340 PolarHBondContact O-N 3.08Å; L337-S341 WeakPolarHBondContact O-CB 3.26Å; L337-S341 PolarHBondContact O-N 3.17Å
338	N	97	Very high	95.8	Very high	87 Å²	87	40.3 Å²	40.3	47%	0.465	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-46	178.7	179.8	42.9	0	0	0	111.6	P334 T340 S341 Q342	P334-N338 WeakPolarHBondContact O-CB 3.45Å; P334-N338 PolarHBondContact O-N 3.2Å; N338-T340 PolarHBondContact O-N 3.3Å; N338-S341 PolarHBondContact O-N 2.51Å; N338-Q342 PolarHBondContact ND2-NE2 3.1Å; N338-Q342 VanDerWaalsContact ND2-NE2 3.15Å; N338-Q342 WeakPolarHBondContact O-CG 3.43Å; N338-Q342 PolarHBondContact O-N 3.02Å; N338-Q342 PolarHBondContact OD1-NE2 3.17Å; N338-Q342 VanDerWaalsContact OD1-NE2 3.11Å
339	M	98.1	Very high	96	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-47.1	176.6	-175.9	-158.7	73.6	0	0	111.6	F290 M294 I335 L336 L337 S341 Q342 C343 C357 L360 L361	F290-M339 HydrophobicContact CE1-CE 3.97Å; F290-M339 HydrophobicContact CZ-CE 4.41Å; M294-M339 HydrophobicContact CE-CE 4.31Å; M294-M339 HydrophobicContact CG-CE 4.22Å; I335-M339 WeakPolarHBondContact O-CB 3.5Å; I335-M339 PolarHBondContact O-N 3.44Å; L336-M339 HydrophobicContact CD1-CE 4.18Å; L337-M339 PolarHBondContact O-N 3.21Å; M339-S341 VanDerWaalsContact C-N 3.3Å; M339-S341 PolarHBondContact O-N 2.88Å; M339-Q342 PolarHBondContact O-N 3.35Å; M339-C343 PolarHBondContact O-N 3.31Å; M339-C343 PolarHBondContact O-SG 3.5Å; M339-C357 HydrophobicContact SD-CB 4.1Å; M339-L360 HydrophobicContact CB-CB 4.36Å; M339-L360 HydrophobicContact CB-CD1 4.01Å; M339-L360 HydrophobicContact CG-CB 4.15Å; M339-L360 HydrophobicContact CG-CD1 3.72Å; M339-L360 HydrophobicContact SD-CB 3.99Å; M339-L361 HydrophobicContact CE-CD1 4.29Å; M339-L361 HydrophobicContact CE-CD2 3.77Å; M339-L361 HydrophobicContact CE-CG 4.03Å; M339-L361 HydrophobicContact SD-CD1 4.11Å; M339-L361 HydrophobicContact SD-CD2 4.05Å; M339-L361 HydrophobicContact SD-CG 3.69Å
340	T	98	Very high	96.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-43.2	179.5	-57.3	0	0	0	0	110.8	M294 C295 I298 M319 L336 L337 N338 Q342 C343 V344	M294-T340 HydrophobicContact CB-CG2 3.82Å; C295-T340 VanDerWaalsContact SG-CG2 3.5Å; I298-T340 HydrophobicContact CD1-CG2 4.28Å; M319-T340 HydrophobicContact CE-CG2 4.08Å; M319-T340 HydrophobicContact SD-CG2 4.21Å; L336-T340 WeakPolarHBondContact O-CB 3.43Å; L336-T340 PolarHBondContact O-N 3.49Å; L336-T340 PolarHBondContact O-OG1 3.03Å; L337-T340 PolarHBondContact O-N 3.08Å; N338-T340 PolarHBondContact O-N 3.3Å; T340-Q342 PolarHBondContact O-N 3.15Å; T340-C343 WeakPolarHBondContact O-CB 3.35Å; T340-C343 PolarHBondContact O-N 3.5Å; T340-V344 PolarHBondContact O-N 3.16Å
341	S	97.6	Very high	96.4	Very high	53 Å²	53	44.9 Å²	44.9	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-37.9	176.1	-171.9	0	0	0	0	113.5	L337 N338 M339 S345	L337-S341 WeakPolarHBondContact O-CB 3.26Å; L337-S341 PolarHBondContact O-N 3.17Å; N338-S341 PolarHBondContact O-N 2.51Å; M339-S341 VanDerWaalsContact C-N 3.3Å; M339-S341 PolarHBondContact O-N 2.88Å; S341-S345 PolarHBondContact O-N 3.23Å
342	Q	97.7	Very high	96.7	Very high	64 Å²	64	40.6 Å²	40.6	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-68.4	-38.9	175.4	-67.9	171.5	18.9	0	0	111.4	N338 M339 T340 V344 S345 P352	N338-Q342 PolarHBondContact ND2-NE2 3.1Å; N338-Q342 VanDerWaalsContact ND2-NE2 3.15Å; N338-Q342 WeakPolarHBondContact O-CG 3.43Å; N338-Q342 PolarHBondContact O-N 3.02Å; N338-Q342 PolarHBondContact OD1-NE2 3.17Å; N338-Q342 VanDerWaalsContact OD1-NE2 3.11Å; M339-Q342 PolarHBondContact O-N 3.35Å; T340-Q342 PolarHBondContact O-N 3.15Å; Q342-V344 VanDerWaalsContact C-N 3.33Å; Q342-V344 PolarHBondContact O-N 3.43Å; Q342-S345 VanDerWaalsContact O-CB 3.25Å; Q342-S345 WeakPolarHBondContact O-CB 3.41Å; Q342-S345 PolarHBondContact O-N 3Å; Q342-P352 HydrophobicContact CB-CG 4.43Å
343	C	98.4	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-39.6	178.8	-65.8	0	0	0	0	112.3	V287 Y288 M339 T340 S345 R351	V287-C343 HydrophobicContact CG1-CB 4.09Å; Y288-C343 WeakPolarHBondContact CA-O 3.29Å; M339-C343 PolarHBondContact O-N 3.31Å; M339-C343 PolarHBondContact O-SG 3.5Å; T340-C343 WeakPolarHBondContact O-CB 3.35Å; T340-C343 PolarHBondContact O-N 3.5Å; C343-S345 VanDerWaalsContact C-N 3.3Å; C343-S345 PolarHBondContact O-N 3.24Å; C343-R351 WeakPolarHBondContact O-CD 3.07Å; C343-R351 WeakPolarHBondContact O-CG 3.13Å
344	V	97.6	Very high	97.1	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	15.6	179.3	-56.5	0	0	0	0	114.1	Y288 G291 I317 M319 T340 Q342	Y288-V344 HydrophobicContact CD2-CB 4.4Å; Y288-V344 HydrophobicContact CE2-CB 4.09Å; Y288-V344 WeakPolarHBondContact CE2-O 3.49Å; G291-V344 VanDerWaalsContact C-CG1 3.48Å; I317-V344 HydrophobicContact CB-CB 4.23Å; I317-V344 HydrophobicContact CB-CG1 4.4Å; I317-V344 HydrophobicContact CB-CG2 4.32Å; I317-V344 HydrophobicContact CD1-CG1 4.09Å; I317-V344 HydrophobicContact CG2-CG2 4.43Å; M319-V344 HydrophobicContact CG-CG2 3.65Å; M319-V344 HydrophobicContact SD-CG2 4.18Å; T340-V344 PolarHBondContact O-N 3.16Å; Q342-V344 VanDerWaalsContact C-N 3.33Å; Q342-V344 PolarHBondContact O-N 3.43Å
345	S	97	Very high	97.2	Very high	23 Å²	23	45.4 Å²	45.4	16%	0.161	24%	0.238	C	C	.	.			trans	-60.3	138.4	176.3	170.2	0	0	0	0	112	S341 Q342 C343 D347 N350 R351	S341-S345 PolarHBondContact O-N 3.23Å; Q342-S345 VanDerWaalsContact O-CB 3.25Å; Q342-S345 WeakPolarHBondContact O-CB 3.41Å; Q342-S345 PolarHBondContact O-N 3Å; C343-S345 VanDerWaalsContact C-N 3.3Å; C343-S345 PolarHBondContact O-N 3.24Å; S345-D347 PolarHBondContact OG-N 3.16Å; S345-D347 PolarHBondContact OG-O 2.99Å; S345-N350 WeakPolarHBondContact OG-CB 3.39Å; S345-R351 PolarHBondContact O-NE 2.89Å; S345-R351 PolarHBondContact O-NH2 3.38Å; S345-R351 VanDerWaalsContact O-NH2 3.16Å
346	L	95.6	Very high	97.3	Very high	90 Å²	90	46.1 Å²	46.1	47%	0.471	25%	0.247	S	C	.	.	S	Bend	trans	-57.2	-48.5	171.5	177	61.7	0	0	0	111.4	P273 T314 C316 P348 R351	P273-L346 HydrophobicContact CB-CD1 3.92Å; P273-L346 HydrophobicContact CG-CD1 3.99Å; T314-L346 HydrophobicContact CG2-CD2 3.84Å; C316-L346 VanDerWaalsContact SG-CA 3.59Å; C316-L346 VanDerWaalsContact SG-CD1 3.52Å; L346-P348 VanDerWaalsContact O-CD 3.31Å; L346-P348 WeakPolarHBondContact O-CD 3.25Å; L346-R351 PolarHBondContact O-NH2 3.42Å
347	D	95.7	Very high	97.4	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	25%	0.246	C	C	.	.	S	Bend	trans	-76	117.7	176.4	-173.6	-15	0	0	0	109.8	S345 R349 N350	S345-D347 PolarHBondContact OG-N 3.16Å; S345-D347 PolarHBondContact OG-O 2.99Å; D347-R349 PolarHBondContact O-N 3.28Å; D347-R349 WeakPolarHBondContact OD1-CB 3.33Å; D347-R349 WeakPolarHBondContact OD1-CG 3.19Å; D347-R349 IonicContact OD1-CZ 3.79Å; D347-R349 PolarHBondContact OD1-N 3.49Å; D347-R349 IonicContact OD1-NE 2.66Å; D347-R349 PolarHBondContact OD1-NE 3.09Å; D347-R349 IonicContact OD1-NH2 2.77Å; D347-R349 IonicContact OD2-CZ 3.83Å; D347-R349 VanDerWaalsContact OD2-CZ 3.25Å; D347-R349 IonicContact OD2-NE 2.96Å; D347-R349 PolarHBondContact OD2-NE 3.29Å; D347-R349 VanDerWaalsContact OD2-NE 3.07Å; D347-R349 IonicContact OD2-NH2 3.27Å; D347-R349 PolarHBondContact OD2-NH2 3.18Å; D347-N350 PolarHBondContact O-N 3.03Å; D347-N350 VanDerWaalsContact O-N 3.17Å
348	P	96	Very high	97.5	Very high	37 Å²	37	45.7 Å²	45.7	24%	0.24	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-61.3	-25	-179.1	-19.7	31.2	0	0	0	113.8	E274 S284 L346 N350 R351	E274-P348 HydrophobicContact CG-CG 4.43Å; S284-P348 VanDerWaalsContact OG-CB 3.29Å; S284-P348 WeakPolarHBondContact OG-CB 3.37Å; L346-P348 VanDerWaalsContact O-CD 3.31Å; L346-P348 WeakPolarHBondContact O-CD 3.25Å; P348-N350 PolarHBondContact O-N 2.95Å; P348-R351 WeakPolarHBondContact O-CB 3.29Å; P348-R351 PolarHBondContact O-N 3.24Å; P348-R351 VanDerWaalsContact O-N 3.13Å
349	R	96.2	Very high	97.4	Very high	189 Å²	189	43.1 Å²	43.1	71%	0.713	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-70.1	-21.4	-179.9	-59.2	173	-65.2	175.7	2.4	113.5	D347 R351	D347-R349 PolarHBondContact O-N 3.28Å; D347-R349 WeakPolarHBondContact OD1-CB 3.33Å; D347-R349 WeakPolarHBondContact OD1-CG 3.19Å; D347-R349 IonicContact OD1-CZ 3.79Å; D347-R349 PolarHBondContact OD1-N 3.49Å; D347-R349 IonicContact OD1-NE 2.66Å; D347-R349 PolarHBondContact OD1-NE 3.09Å; D347-R349 IonicContact OD1-NH2 2.77Å; D347-R349 IonicContact OD2-CZ 3.83Å; D347-R349 VanDerWaalsContact OD2-CZ 3.25Å; D347-R349 IonicContact OD2-NE 2.96Å; D347-R349 PolarHBondContact OD2-NE 3.29Å; D347-R349 VanDerWaalsContact OD2-NE 3.07Å; D347-R349 IonicContact OD2-NH2 3.27Å; D347-R349 PolarHBondContact OD2-NH2 3.18Å; R349-R351 VanDerWaalsContact C-N 3.31Å
350	N	97.2	Very high	97.4	Very high	96 Å²	96	44.7 Å²	44.7	51%	0.513	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-85.4	-9.4	176.1	-64.6	-23.5	0	0	0	112	S345 D347 P348	S345-N350 WeakPolarHBondContact OG-CB 3.39Å; D347-N350 PolarHBondContact O-N 3.03Å; D347-N350 VanDerWaalsContact O-N 3.17Å; P348-N350 PolarHBondContact O-N 2.95Å
351	R	98	Very high	97.3	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.023	25%	0.247	C	C	.	.	S	Bend	trans	-79.8	127.9	179.6	-55.2	-178.9	-164.9	148.4	7.9	109	E274 S284 V287 C343 S345 L346 P348 R349	E274-R351 IonicContact OE1-CZ 2.7Å; E274-R351 IonicContact OE1-NH1 2.81Å; E274-R351 PolarHBondContact OE1-NH1 3.24Å; E274-R351 IonicContact OE1-NH2 3.68Å; E274-R351 PolarHBondContact OE1-NH2 3.38Å; E274-R351 IonicContact OE2-CZ 3.18Å; E274-R351 IonicContact OE2-NH1 3.41Å; E274-R351 IonicContact OE2-NH2 3.59Å; E274-R351 PolarHBondContact OE2-NH2 2.87Å; S284-R351 PolarHBondContact O-NH1 2.78Å; S284-R351 VanDerWaalsContact O-NH1 3.08Å; V287-R351 HydrophobicContact CB-CB 4.27Å; V287-R351 HydrophobicContact CG1-CB 3.89Å; C343-R351 WeakPolarHBondContact O-CD 3.07Å; C343-R351 WeakPolarHBondContact O-CG 3.13Å; S345-R351 PolarHBondContact O-NE 2.89Å; S345-R351 PolarHBondContact O-NH2 3.38Å; S345-R351 VanDerWaalsContact O-NH2 3.16Å; L346-R351 PolarHBondContact O-NH2 3.42Å; P348-R351 WeakPolarHBondContact O-CB 3.29Å; P348-R351 PolarHBondContact O-N 3.24Å; P348-R351 VanDerWaalsContact O-N 3.13Å; R349-R351 VanDerWaalsContact C-N 3.31Å
352	P	98.1	Very high	97.2	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.091	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.8	150.1	177	26.1	-34.1	0	0	0	111.1	V287 Q342 C357	V287-P352 VanDerWaalsContact CG1-O 3.26Å; V287-P352 WeakPolarHBondContact CG1-O 3.35Å; V287-P352 WeakPolarHBondContact CG2-O 3.32Å; Q342-P352 HydrophobicContact CB-CG 4.43Å; P352-C357 VanDerWaalsContact CG-SG 3.56Å
353	C	97.8	Very high	97	Very high	63 Å²	63	47.1 Å²	47.1	43%	0.426	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-68.2	160.4	165.2	65.4	0	0	0	0	110.6	D355 S356 C357	C353-D355 VanDerWaalsContact C-N 3.28Å; C353-D355 PolarHBondContact O-N 3.11Å; C353-S356 WeakPolarHBondContact O-CA 3.27Å; C353-S356 WeakPolarHBondContact O-CB 3.19Å; C353-S356 PolarHBondContact O-N 3Å; C353-C357 PolarHBondContact O-N 2.93Å; C353-C357 PolarHBondContact O-SG 3.49Å
354	F	98.5	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-33.1	-179.1	-79.1	-70.4	0	0	0	113.8	A169 M172 A173 H176 L185 D286 V287 F290 S356 C357 I358	A169-F354 HydrophobicContact CB-CD1 3.87Å; M172-F354 HydrophobicContact CB-CD1 3.74Å; M172-F354 HydrophobicContact CB-CD2 3.55Å; M172-F354 HydrophobicContact CB-CE1 3.59Å; M172-F354 HydrophobicContact CB-CE2 3.42Å; M172-F354 VanDerWaalsContact CB-CE2 3.42Å; M172-F354 HydrophobicContact CB-CG 3.71Å; M172-F354 HydrophobicContact CB-CZ 3.43Å; M172-F354 VanDerWaalsContact CB-CZ 3.43Å; M172-F354 HydrophobicContact CE-CE2 4.08Å; M172-F354 HydrophobicContact CE-CZ 4.28Å; M172-F354 HydrophobicContact CG-CE1 3.97Å; M172-F354 HydrophobicContact CG-CE2 4.08Å; M172-F354 HydrophobicContact CG-CZ 3.7Å; A173-F354 HydrophobicContact CB-CB 3.75Å; H176-F354 AromaticContact CE1-CD2 3.46Å; H176-F354 VanDerWaalsContact CE1-CD2 3.46Å; H176-F354 WeakPolarHBondContact CE1-CD2 3.36Å; H176-F354 AromaticContact CE1-CE2 3.31Å; H176-F354 WeakPolarHBondContact CE1-CE2 3.45Å; H176-F354 AromaticContact ND1-CD2 3.51Å; H176-F354 AromaticContact ND1-CE2 3.88Å; H176-F354 AromaticContact NE2-CE2 3.82Å; L185-F354 HydrophobicContact CD2-CZ 4.3Å; D286-F354 HydrophobicContact CB-CE2 3.95Å; D286-F354 HydrophobicContact CB-CZ 4.21Å; V287-F354 HydrophobicContact CG2-CD2 4.14Å; V287-F354 HydrophobicContact CG2-CE2 3.82Å; V287-F354 HydrophobicContact CG2-CZ 4.18Å; F290-F354 HydrophobicContact CB-CE1 3.65Å; F290-F354 HydrophobicContact CB-CZ 3.87Å; F290-F354 HydrophobicContact CD1-CE1 4.03Å; F290-F354 HydrophobicContact CD2-CE1 4.02Å; F290-F354 AromaticContact CG-CE1 3.63Å; F290-F354 HydrophobicContact CG-CE1 3.63Å; F290-F354 HydrophobicContact CG-CZ 4.36Å; F354-S356 VanDerWaalsContact C-N 3.29Å; F354-S356 PolarHBondContact O-N 2.91Å; F354-C357 WeakPolarHBondContact O-CB 3.34Å; F354-C357 PolarHBondContact O-N 3.32Å; F354-I358 VanDerWaalsContact O-CG1 3.26Å; F354-I358 WeakPolarHBondContact O-CG1 3.48Å; F354-I358 PolarHBondContact O-N 3.41Å
355	D	97.8	Very high	96.5	Very high	107 Å²	107	47.5 Å²	47.5	57%	0.572	25%	0.254	S	S	*	.	H	α-helix	trans	-59.5	-39.5	172.5	-61.7	-83.6	0	0	0	112.3	C353 I358 G359	C353-D355 VanDerWaalsContact C-N 3.28Å; C353-D355 PolarHBondContact O-N 3.11Å; D355-I358 PolarHBondContact O-N 2.98Å; D355-G359 PolarHBondContact O-N 3Å; D355-G359 VanDerWaalsContact O-N 3.11Å
356	S	97.9	Very high	96.2	Very high	54 Å²	54	49.4 Å²	49.4	38%	0.378	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-40.9	175.6	-175.1	0	0	0	0	111.5	C353 F354 I358 G359 L360	C353-S356 WeakPolarHBondContact O-CA 3.27Å; C353-S356 WeakPolarHBondContact O-CB 3.19Å; C353-S356 PolarHBondContact O-N 3Å; F354-S356 VanDerWaalsContact C-N 3.29Å; F354-S356 PolarHBondContact O-N 2.91Å; S356-I358 VanDerWaalsContact C-N 3.33Å; S356-I358 PolarHBondContact O-N 3.18Å; S356-G359 PolarHBondContact O-N 3.5Å; S356-L360 WeakPolarHBondContact O-CG 3.42Å; S356-L360 PolarHBondContact O-N 2.86Å
357	C	98.5	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.9	-46	172.7	-62.6	0	0	0	0	111.6	A169 F290 M339 P352 C353 F354 G359 L360 L361	A169-C357 HydrophobicContact CB-CB 4.29Å; F290-C357 HydrophobicContact CE1-CB 4.17Å; M339-C357 HydrophobicContact SD-CB 4.1Å; P352-C357 VanDerWaalsContact CG-SG 3.56Å; C353-C357 PolarHBondContact O-N 2.93Å; C353-C357 PolarHBondContact O-SG 3.49Å; F354-C357 WeakPolarHBondContact O-CB 3.34Å; F354-C357 PolarHBondContact O-N 3.32Å; C357-G359 PolarHBondContact O-N 3.4Å; C357-L360 PolarHBondContact O-N 2.97Å; C357-L361 WeakPolarHBondContact O-CB 3.49Å; C357-L361 WeakPolarHBondContact O-CD1 3.34Å; C357-L361 WeakPolarHBondContact O-CG 3.37Å; C357-L361 PolarHBondContact O-N 3.25Å
358	I	98.1	Very high	95.5	Very high	26 Å²	26	48 Å²	48	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-49.4	177.1	-65.9	161.6	0	0	0	110.1	A169 A173 F354 D355 S356 L360 L361 E362	A169-I358 HydrophobicContact CB-CG1 3.73Å; A173-I358 HydrophobicContact CB-CD1 3.94Å; F354-I358 VanDerWaalsContact O-CG1 3.26Å; F354-I358 WeakPolarHBondContact O-CG1 3.48Å; F354-I358 PolarHBondContact O-N 3.41Å; D355-I358 PolarHBondContact O-N 2.98Å; S356-I358 VanDerWaalsContact C-N 3.33Å; S356-I358 PolarHBondContact O-N 3.18Å; I358-L360 VanDerWaalsContact C-N 3.34Å; I358-L360 PolarHBondContact O-N 3.16Å; I358-L361 PolarHBondContact O-N 3.28Å; I358-E362 HydrophobicContact CG2-CG 4.37Å; I358-E362 WeakPolarHBondContact O-CG 3.07Å; I358-E362 PolarHBondContact O-N 3.11Å
359	G	96	Very high	95.1	Very high	34 Å²	34	49.6 Å²	49.6	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-41	178.5	0	0	0	0	0	113.4	D355 S356 C357 E362 Q363	D355-G359 PolarHBondContact O-N 3Å; D355-G359 VanDerWaalsContact O-N 3.11Å; S356-G359 PolarHBondContact O-N 3.5Å; C357-G359 PolarHBondContact O-N 3.4Å; G359-E362 PolarHBondContact O-N 3.15Å; G359-Q363 WeakPolarHBondContact O-CB 3.25Å; G359-Q363 PolarHBondContact O-N 3.17Å
360	L	97.3	Very high	94.6	Very high	33 Å²	33	43.7 Å²	43.7	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-38.5	176.4	-71.5	167.6	0	0	0	112.3	I335 M339 S356 C357 I358 Q363 C364	I335-L360 HydrophobicContact CG2-CD2 4.39Å; I335-L360 WeakPolarHBondContact CG2-O 3.25Å; M339-L360 HydrophobicContact CB-CB 4.36Å; M339-L360 HydrophobicContact CB-CD1 4.01Å; M339-L360 HydrophobicContact CG-CB 4.15Å; M339-L360 HydrophobicContact CG-CD1 3.72Å; M339-L360 HydrophobicContact SD-CB 3.99Å; S356-L360 WeakPolarHBondContact O-CG 3.42Å; S356-L360 PolarHBondContact O-N 2.86Å; C357-L360 PolarHBondContact O-N 2.97Å; I358-L360 VanDerWaalsContact C-N 3.34Å; I358-L360 PolarHBondContact O-N 3.16Å; L360-Q363 PolarHBondContact O-N 3.22Å; L360-C364 WeakPolarHBondContact O-CB 3.34Å; L360-C364 PolarHBondContact O-N 2.81Å
361	L	97.1	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-40.6	176.2	-70.6	160.1	0	0	0	111.5	I162 R166 A169 F290 M294 L336 M339 C357 I358 C364 L365	I162-L361 HydrophobicContact CB-CD2 4.46Å; I162-L361 HydrophobicContact CG2-CB 3.92Å; I162-L361 HydrophobicContact CG2-CD2 3.76Å; I162-L361 HydrophobicContact CG2-CG 4.46Å; I162-L361 VanDerWaalsContact CG2-O 3.3Å; I162-L361 WeakPolarHBondContact CG2-O 3.46Å; R166-L361 HydrophobicContact CB-CB 4.35Å; R166-L361 HydrophobicContact CB-CD1 4.39Å; A169-L361 HydrophobicContact CB-CD1 4.32Å; F290-L361 HydrophobicContact CZ-CD1 4.07Å; M294-L361 HydrophobicContact CE-CD2 4.14Å; L336-L361 HydrophobicContact CD1-CD2 3.9Å; M339-L361 HydrophobicContact CE-CD1 4.29Å; M339-L361 HydrophobicContact CE-CD2 3.77Å; M339-L361 HydrophobicContact CE-CG 4.03Å; M339-L361 HydrophobicContact SD-CD1 4.11Å; M339-L361 HydrophobicContact SD-CD2 4.05Å; M339-L361 HydrophobicContact SD-CG 3.69Å; C357-L361 WeakPolarHBondContact O-CB 3.49Å; C357-L361 WeakPolarHBondContact O-CD1 3.34Å; C357-L361 WeakPolarHBondContact O-CG 3.37Å; C357-L361 PolarHBondContact O-N 3.25Å; I358-L361 PolarHBondContact O-N 3.28Å; L361-C364 WeakPolarHBondContact O-CB 3.45Å; L361-C364 PolarHBondContact O-N 2.66Å; L361-L365 PolarHBondContact O-N 3.18Å
362	E	95.1	Very high	91.7	Very high	64 Å²	64	47.2 Å²	47.2	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-40.7	173.7	-71.8	178.1	166.5	0	0	111.6	R166 I358 G359 C364 L365 L366	R166-E362 IonicContact CZ-OE1 2.71Å; R166-E362 VanDerWaalsContact CZ-OE1 3.27Å; R166-E362 IonicContact NE-OE1 2.92Å; R166-E362 PolarHBondContact NE-OE1 3.18Å; R166-E362 IonicContact NH2-OE1 2.65Å; R166-E362 PolarHBondContact NH2-OE1 3.02Å; I358-E362 HydrophobicContact CG2-CG 4.37Å; I358-E362 WeakPolarHBondContact O-CG 3.07Å; I358-E362 PolarHBondContact O-N 3.11Å; G359-E362 PolarHBondContact O-N 3.15Å; E362-C364 VanDerWaalsContact C-N 3.28Å; E362-C364 PolarHBondContact O-N 3.13Å; E362-L365 PolarHBondContact O-N 2.99Å; E362-L366 WeakPolarHBondContact O-CB 3.37Å; E362-L366 VanDerWaalsContact O-CG 3.25Å; E362-L366 WeakPolarHBondContact O-CG 3.45Å; E362-L366 PolarHBondContact O-N 3.42Å
363	Q	93.7	Very high	89.4	Confident	105 Å²	105	54.8 Å²	54.8	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-36.6	171.6	-167.5	-176.3	1.2	0	0	112.2	I335 G359 L360 L366 Y367	I335-Q363 HydrophobicContact CD1-CG 4.08Å; G359-Q363 WeakPolarHBondContact O-CB 3.25Å; G359-Q363 PolarHBondContact O-N 3.17Å; L360-Q363 PolarHBondContact O-N 3.22Å; Q363-L366 WeakPolarHBondContact O-CB 3.33Å; Q363-L366 PolarHBondContact O-N 2.95Å; Q363-Y367 WeakPolarHBondContact O-CB 3.38Å; Q363-Y367 PolarHBondContact O-N 3.46Å
364	C	93.6	Very high	86.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-42.5	175.9	-162.4	0	0	0	0	111.8	I162 P333 I335 L360 L361 E362 Y367 L368	I162-C364 HydrophobicContact CD1-CB 4.04Å; I162-C364 WeakPolarHBondContact CD1-SG 3.2Å; I162-C364 HydrophobicContact CG2-CB 4.48Å; P333-C364 WeakPolarHBondContact CB-SG 3.49Å; I335-C364 HydrophobicContact CB-CB 4.23Å; I335-C364 HydrophobicContact CG2-CB 4.06Å; L360-C364 WeakPolarHBondContact O-CB 3.34Å; L360-C364 PolarHBondContact O-N 2.81Å; L361-C364 WeakPolarHBondContact O-CB 3.45Å; L361-C364 PolarHBondContact O-N 2.66Å; E362-C364 VanDerWaalsContact C-N 3.28Å; E362-C364 PolarHBondContact O-N 3.13Å; C364-Y367 WeakPolarHBondContact O-CB 3.31Å; C364-Y367 PolarHBondContact O-N 3.34Å; C364-L368 WeakPolarHBondContact O-CG 3.39Å; C364-L368 PolarHBondContact O-N 3.3Å
365	L	92.5	Very high	83.9	Confident	11 Å²	11	63.2 Å²	63.2	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-48.1	172.3	-77.8	160.7	0	0	0	111.1	I159 I162 T163 L361 E362 Y367 L368 L369	I159-L365 HydrophobicContact CG2-CD2 3.99Å; I162-L365 HydrophobicContact CB-CD2 4.24Å; I162-L365 HydrophobicContact CB-CG 4.25Å; I162-L365 HydrophobicContact CG2-CD1 3.88Å; I162-L365 HydrophobicContact CG2-CD2 4.05Å; I162-L365 HydrophobicContact CG2-CG 3.52Å; T163-L365 HydrophobicContact CG2-CD1 4.41Å; T163-L365 HydrophobicContact CG2-CD2 4.19Å; L361-L365 PolarHBondContact O-N 3.18Å; E362-L365 PolarHBondContact O-N 2.99Å; L365-Y367 VanDerWaalsContact C-N 3.29Å; L365-Y367 PolarHBondContact O-N 3.04Å; L365-L368 PolarHBondContact O-N 3.15Å; L365-L368 VanDerWaalsContact O-N 3.17Å; L365-L369 WeakPolarHBondContact O-CB 3.34Å; L365-L369 VanDerWaalsContact O-CG 3.32Å; L365-L369 WeakPolarHBondContact O-CG 3.38Å; L365-L369 PolarHBondContact O-N 3.44Å
366	L	89.2	Confident	81.1	Confident	64 Å²	64	64.2 Å²	64.2	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-53.2	-47.1	175.2	-79.1	166.3	0	0	0	111.8	I32 E362 Q363 S370	I32-L366 HydrophobicContact CB-CD2 3.64Å; I32-L366 HydrophobicContact CD1-CD2 3.11Å; I32-L366 HydrophobicContact CG1-CD2 3.59Å; I32-L366 HydrophobicContact CG2-CD2 3.32Å; I32-L366 HydrophobicContact CG2-CG 4.06Å; E362-L366 WeakPolarHBondContact O-CB 3.37Å; E362-L366 VanDerWaalsContact O-CG 3.25Å; E362-L366 WeakPolarHBondContact O-CG 3.45Å; E362-L366 PolarHBondContact O-N 3.42Å; Q363-L366 WeakPolarHBondContact O-CB 3.33Å; Q363-L366 PolarHBondContact O-N 2.95Å; L366-S370 WeakPolarHBondContact O-CB 3.37Å; L366-S370 PolarHBondContact O-N 3.08Å; L366-S370 PolarHBondContact O-OG 2.86Å
367	Y	88.7	Confident	78	Confident	66 Å²	66	67.9 Å²	67.9	26%	0.259	37%	0.367	S	S	.	.	H	α-helix	trans	-59	-48.1	177.8	174.7	-102	0	0	0	111.7	I335 Q363 C364 L365 S370 H372 S374	I335-Y367 HydrophobicContact CD1-CG 4.44Å; Q363-Y367 WeakPolarHBondContact O-CB 3.38Å; Q363-Y367 PolarHBondContact O-N 3.46Å; C364-Y367 WeakPolarHBondContact O-CB 3.31Å; C364-Y367 PolarHBondContact O-N 3.34Å; L365-Y367 VanDerWaalsContact C-N 3.29Å; L365-Y367 PolarHBondContact O-N 3.04Å; Y367-S370 PolarHBondContact O-N 3.3Å; Y367-S370 PolarHBondContact O-OG 3.1Å; Y367-H372 HydrophobicContact CD2-CB 4.01Å; Y367-H372 VanDerWaalsContact CE1-O 3.24Å; Y367-H372 WeakPolarHBondContact CE1-O 3.48Å; Y367-H372 HydrophobicContact CE2-CB 3.56Å; Y367-H372 PolarHBondContact OH-O 2.87Å; Y367-S374 PolarHBondContact OH-OG 3.07Å
368	L	88.9	Confident	75.1	Confident	37 Å²	37	74.1 Å²	74.1	19%	0.194	40%	0.399	C	S	.	.	H	α-helix	trans	-66.4	-44	-179.8	-68.3	176	0	0	0	113.1	W158 I159 I162 P333 C364 L365 S370 G371	W158-L368 HydrophobicContact CB-CD1 3.58Å; I159-L368 HydrophobicContact CG1-CD1 4.36Å; I162-L368 HydrophobicContact CD1-CD1 3.33Å; I162-L368 HydrophobicContact CD1-CG 4.48Å; P333-L368 HydrophobicContact CG-CD1 4.32Å; P333-L368 HydrophobicContact CG-CD2 4.05Å; P333-L368 HydrophobicContact CG-CG 4.49Å; C364-L368 WeakPolarHBondContact O-CG 3.39Å; C364-L368 PolarHBondContact O-N 3.3Å; L365-L368 PolarHBondContact O-N 3.15Å; L365-L368 VanDerWaalsContact O-N 3.17Å; L368-S370 VanDerWaalsContact C-N 3.27Å; L368-S370 PolarHBondContact O-N 3.35Å; L368-G371 PolarHBondContact O-N 2.86Å
369	L	87.9	Confident	72.1	Confident	70 Å²	70	77.5 Å²	77.5	37%	0.366	42%	0.421	S	S	.	.	H	α-helix	trans	-67.7	-28.1	-179.7	-67.7	174.2	0	0	0	112.4	I159 L365 G371	I159-L369 HydrophobicContact CD1-CD2 4.19Å; L365-L369 WeakPolarHBondContact O-CB 3.34Å; L365-L369 VanDerWaalsContact O-CG 3.32Å; L365-L369 WeakPolarHBondContact O-CG 3.38Å; L365-L369 PolarHBondContact O-N 3.44Å; L369-G371 PolarHBondContact O-N 2.76Å; L369-G371 VanDerWaalsContact O-N 3.11Å
370	S	84.5	Confident	69.1	Low	64 Å²	64	83.6 Å²	83.6	45%	0.448	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	0.3	176.9	75	0	0	0	0	114.5	L366 Y367 L368 H372	L366-S370 WeakPolarHBondContact O-CB 3.37Å; L366-S370 PolarHBondContact O-N 3.08Å; L366-S370 PolarHBondContact O-OG 2.86Å; Y367-S370 PolarHBondContact O-N 3.3Å; Y367-S370 PolarHBondContact O-OG 3.1Å; L368-S370 VanDerWaalsContact C-N 3.27Å; L368-S370 PolarHBondContact O-N 3.35Å; S370-H372 PolarHBondContact O-N 3.07Å; S370-H372 PolarHBondContact O-ND1 3.28Å; S370-H372 PolarHBondContact OG-ND1 3.25Å
371	G	73.3	Confident	66.1	Low	59 Å²	59	88.7 Å²	88.7	61%	0.608	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	7	179.5	0	0	0	0	0	114.4	L368 L369 Q373	L368-G371 PolarHBondContact O-N 2.86Å; L369-G371 PolarHBondContact O-N 2.76Å; L369-G371 VanDerWaalsContact O-N 3.11Å; G371-Q373 PolarHBondContact O-N 3.23Å
372	H	60.8	Low	63	Low	118 Å²	118	93.9 Å²	93.9	55%	0.546	50%	0.497	S	S	.	.			trans	-75.7	68.9	170.6	-68.3	77.3	0	0	0	109.2	Y367 S370 S374	Y367-H372 HydrophobicContact CD2-CB 4.01Å; Y367-H372 VanDerWaalsContact CE1-O 3.24Å; Y367-H372 WeakPolarHBondContact CE1-O 3.48Å; Y367-H372 HydrophobicContact CE2-CB 3.56Å; Y367-H372 PolarHBondContact OH-O 2.87Å; S370-H372 PolarHBondContact O-N 3.07Å; S370-H372 PolarHBondContact O-ND1 3.28Å; S370-H372 PolarHBondContact OG-ND1 3.25Å; H372-S374 PolarHBondContact O-N 2.98Å
373	Q	50.4	Low	60.1	Low	172 Å²	172	95.1 Å²	95.1	80%	0.804	52%	0.518	S	S	*	.			trans	-64.5	121.9	162.7	-70.6	-170.4	-5.4	0	0	107.4	G371 Q375	G371-Q373 PolarHBondContact O-N 3.23Å; Q373-Q375 PolarHBondContact O-N 2.96Å
374	S	45.1	Very low	57.2	Low	50 Å²	50	98.3 Å²	98.3	35%	0.35	53%	0.533	S	S	.	.			trans	-55.2	104.2	-173.3	-47	0	0	0	0	111.2	Y367 H372 Q376	Y367-S374 PolarHBondContact OH-OG 3.07Å; H372-S374 PolarHBondContact O-N 2.98Å; S374-Q376 PolarHBondContact O-N 2.66Å
375	Q	34.8	Very low	54.2	Low	193 Å²	193	105.7 Å²	105.7	90%	0.902	57%	0.573	S	S	*	*			trans	-68.7	73.1	155	-74.3	179.7	-19.8	0	0	107.9	Q373	Q373-Q375 PolarHBondContact O-N 2.96Å
376	Q	40.5	Very low	51.6	Low	127 Å²	127	113 Å²	113	59%	0.593	61%	0.61	S	S	*	*			trans	-125.7	79.4	161.2	-71.1	-162	10.6	0	0	107.7	S374 I378	S374-Q376 PolarHBondContact O-N 2.66Å; Q376-I378 PolarHBondContact O-N 2.89Å
377	V	31.9	Very low	49	Very low	131 Å²	131	114.1 Å²	114.1	79%	0.794	62%	0.623	S	S	*	*			trans	-70.5	90.2	157.2	178.1	0	0	0	0	105.8	V379	V377-V379 HydrophobicContact CG1-CG2 4.14Å; V377-V379 PolarHBondContact O-N 2.93Å
378	I	38.4	Very low	46.3	Very low	132 Å²	132	116.8 Å²	116.8	68%	0.677	65%	0.646	S	S	*	*			trans	-77.8	100.8	161.8	-61.6	177	0	0	0	105.2	Q376 R380	Q376-I378 PolarHBondContact O-N 2.89Å; I378-R380 PolarHBondContact O-N 2.66Å
379	V	33.6	Very low	43.9	Very low	97 Å²	97	120.6 Å²	120.6	59%	0.588	67%	0.671	S	S	*	*			trans	-56.6	110.3	165.5	-178.7	0	0	0	0	106.3	V377 N381	V377-V379 HydrophobicContact CG1-CG2 4.14Å; V377-V379 PolarHBondContact O-N 2.93Å; V379-N381 VanDerWaalsContact C-N 3.26Å; V379-N381 WeakPolarHBondContact CG1-OD1 3.46Å; V379-N381 PolarHBondContact O-N 2.71Å
380	R	34.7	Very low	41.4	Very low	161 Å²	161	123.8 Å²	123.8	61%	0.608	69%	0.688	S	S	*	*			trans	-63.7	98.1	160.9	-78.1	-178.1	175.1	154.4	-1.9	105.2	I378 S382	I378-R380 PolarHBondContact O-N 2.66Å; R380-S382 VanDerWaalsContact C-N 3.27Å; R380-S382 PolarHBondContact O-N 3.07Å
381	N	34.3	Very low	39.2	Very low	141 Å²	141	126.8 Å²	126.8	75%	0.754	70%	0.699	S	S	*	*			trans	-63.5	97.7	166.9	-78.4	-12.5	0	0	0	106.8	V379 A383	V379-N381 VanDerWaalsContact C-N 3.26Å; V379-N381 WeakPolarHBondContact CG1-OD1 3.46Å; V379-N381 PolarHBondContact O-N 2.71Å; N381-A383 PolarHBondContact O-N 3.08Å
382	S	31	Very low	37.6	Very low	109 Å²	109	130 Å²	130	76%	0.762	70%	0.702	S	S	*	*			trans	-53.9	96.1	147.1	35	0	0	0	0	106.7	R380 E384	R380-S382 VanDerWaalsContact C-N 3.27Å; R380-S382 PolarHBondContact O-N 3.07Å; S382-E384 PolarHBondContact O-N 2.98Å; S382-E384 VanDerWaalsContact O-N 3.08Å
383	A	33.8	Very low	36.5	Very low	89 Å²	89	131.8 Å²	131.8	74%	0.736	72%	0.716	S	S	*	*			trans	-74.8	86	165.9	0	0	0	0	0	106.8	N381	N381-A383 PolarHBondContact O-N 3.08Å
384	E	33.3	Very low	36	Very low	173 Å²	173	127.5 Å²	127.5	81%	0.808	71%	0.71	S	S	*	*			trans	-175.3	129.7	158.6	-99.1	155.4	-149.4	0	0	106.1	S382	S382-E384 PolarHBondContact O-N 2.98Å; S382-E384 VanDerWaalsContact O-N 3.08Å
385	D	31.3	Very low	35.6	Very low	156 Å²	156	134 Å²	134	83%	0.834	74%	0.735	S	S	*	*			trans	83.8	82.1	174.4	-54.4	-25.2	0	0	0	119.9
386	I	36.7	Very low	35.8	Very low	164 Å²	164	129.2 Å²	129.2	84%	0.841	72%	0.723	S	S	*	*			trans	-134.6	96.9	135.4	-60.9	-174.7	0	0	0	110.1
387	S	35.4	Very low	35.9	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	73%	0.732	S	S	*	*			trans	-11.7	133.5	144.2	60.3	0	0	0	0	119.5
388	T	32.1	Very low	36.2	Very low	123 Å²	123	129.4 Å²	129.4	76%	0.755	73%	0.728	S	S	*	*				51.2	127.8	128.8	63.7	0	0	0	0	120.7
389	V	37.6	Very low	36.2	Very low	116 Å²	116	128 Å²	128	70%	0.703	73%	0.73	S	S	*	*				156.7	123.3	112.4	166.9	0	0	0	0	110.7
390	N	35	Very low	36.4	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	73%	0.734	S	S	*	*			trans	64.2	140.7	155.3	-66.6	-0.2	0	0	0	119.1
391	D	39.1	Very low	36.8	Very low	127 Å²	127	126.4 Å²	126.4	68%	0.679	74%	0.74	S	S	*	*			cis	-154.5	135.8	36.9	-95.6	-50.5	0	0	0	112.6
392	N	40.3	Very low	37.2	Very low	126 Å²	126	127.2 Å²	127.2	67%	0.674	74%	0.739	S	S	*	*				39.1	112.2	129.6	-59.5	-38	0	0	0	121.3
393	N	38.1	Very low	37.6	Very low	157 Å²	157	129 Å²	129	84%	0.84	74%	0.74	S	S	*	*				155	141.1	100.7	-89.4	-25.2	0	0	0	115
394	A	38.7	Very low	37.9	Very low	81 Å²	81	131.9 Å²	131.9	67%	0.669	74%	0.742	S	S	*	*			trans	72.5	103	153.7	0	0	0	0	0	117.9
395	E	36.8	Very low	38.4	Very low	188 Å²	188	129.9 Å²	129.9	88%	0.879	74%	0.737	S	S	*	*				74.5	132.9	97.3	-76.5	-178	174.7	0	0	112.5
396	S	38.6	Very low	38.8	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	73%	0.728	S	S	*	*			cis	179	158.4	1.1	52.8	0	0	0	0	106.8
397	V	42.2	Very low	38.9	Very low	129 Å²	129	125.8 Å²	125.8	78%	0.782	72%	0.72	S	S	*	*			trans	63.1	144.6	160.2	-109.5	0	0	0	0	118.6
398	D	38.4	Very low	39.1	Very low	132 Å²	132	130.2 Å²	130.2	71%	0.706	73%	0.729	S	S	*	*			cis	-164.8	150	5.8	-161.3	2.5	0	0	0	109.9
399	S	39.6	Very low	40	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	75%	0.752	S	S	*	*			trans	40.9	132.5	146.4	65.2	0	0	0	0	123.3
400	G	38.3	Very low	40.1	Very low	65 Å²	65	138.3 Å²	138.3	67%	0.67	76%	0.755	S	S	*	*			trans	163.3	84.3	141.5	0	0	0	0	0	119.2
401	H	41.9	Very low	40.3	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.736	76%	0.756	S	S	*	*			trans	73.9	106.4	144.9	-73.8	61.7	0	0	0	119.1
402	Q	42.5	Very low	40.4	Very low	158 Å²	158	138.9 Å²	138.9	74%	0.738	76%	0.76	S	S	*	*				76.5	104.9	93.9	-76.6	-178.3	12	0	0	112.3
403	N	39.9	Very low	40.4	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	77%	0.765	S	S	*	*				100	139.6	68.9	-111	-9.8	0	0	0	111.3
404	L	41.1	Very low	40.6	Very low	151 Å²	151	138.6 Å²	138.6	79%	0.791	76%	0.761	S	S	*	*			trans	82.2	142.1	160.7	-59.2	138.6	0	0	0	117
405	D	41.9	Very low	40.7	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	77%	0.767	S	S	*	*			cis	-177.4	157.5	-28.2	-133.3	-24.3	0	0	0	105
406	V	40.9	Very low	41	Very low	105 Å²	105	139.2 Å²	139.2	64%	0.636	76%	0.759	S	S	*	*			trans	78.5	102.7	140.1	171.6	0	0	0	0	119.9
407	N	39.4	Very low	41.1	Very low	128 Å²	128	142.8 Å²	142.8	68%	0.684	77%	0.768	S	S	*	*				80.2	117.6	121.2	-73.4	-25.8	0	0	0	123.6
408	K	39.5	Very low	41	Very low	181 Å²	181	144 Å²	144	79%	0.787	77%	0.766	S	S	*	*				53.3	107.2	122.1	-68.7	-178.3	173.7	179.9	0	119
409	H	49.2	Very low	41.3	Very low	269 Å²	269	145.1 Å²	145.1	100%	1.245	77%	0.772	S	S	*	*				-142.2	0	105.9	-99.1	26.1	0	0	0	109.6

Retrieved 409 of 409 residues in 1097.3 ms (Link to these results)

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