A0A077ZG64_TRITR Loading...

Brix domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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	42.8	Very low	55.9	Low	231 Å²	231	120.7 Å²	120.7	100%	1.138	70%	0.701	S	S	*	*				0	88.6	0	-63	-64.6	-133.4	0	0	109.1	G3	M1-G3 PolarHBondContact O-N 2.75Å; M1-G3 VanDerWaalsContact O-N 3.14Å
2	P	42.8	Very low	57.4	Low	135 Å²	135	124 Å²	124	88%	0.877	70%	0.701	S	S	*	*			trans	-77.3	107.8	-176.3	30.5	-28.6	0	0	0	109.4	N4	P2-N4 PolarHBondContact O-N 3.3Å
3	G	49.4	Very low	59.1	Low	70 Å²	70	119.3 Å²	119.3	72%	0.722	69%	0.687	S	S	*	*			trans	-65.7	115.6	178.7	0	0	0	0	0	111.3	M1 K5	M1-G3 PolarHBondContact O-N 2.75Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-K5 PolarHBondContact O-N 2.95Å
4	N	58.1	Low	60.7	Low	152 Å²	152	115 Å²	115	81%	0.813	66%	0.664	S	S	*	*			trans	-73.5	86.7	-177.1	-145.1	0.1	0	0	0	110.3	P2 L6	P2-N4 PolarHBondContact O-N 3.3Å; N4-L6 VanDerWaalsContact C-N 3.34Å; N4-L6 PolarHBondContact O-N 3.39Å
5	K	53.2	Low	62	Low	196 Å²	196	120.9 Å²	120.9	85%	0.852	67%	0.67	S	S	*	*			trans	-70.6	88.4	171.6	-76.3	-177.2	-179.9	176.4	0	108.8	G3 A7	G3-K5 PolarHBondContact O-N 2.95Å; K5-A7 PolarHBondContact O-N 3.42Å; K5-A7 VanDerWaalsContact O-N 3.14Å
6	L	55.5	Low	63.5	Low	98 Å²	98	117.3 Å²	117.3	51%	0.513	66%	0.661	S	S	.	*			trans	-54.2	118.9	168.2	-73.7	165.1	0	0	0	109.5	N4 R11	N4-L6 VanDerWaalsContact C-N 3.34Å; N4-L6 PolarHBondContact O-N 3.39Å; L6-R11 HydrophobicContact CB-CG 4.27Å
7	A	56.7	Low	64.8	Low	74 Å²	74	116.1 Å²	116.1	61%	0.612	65%	0.649	S	S	*	*			trans	-51.1	147.6	174.1	0	0	0	0	0	110.7	K5 G9 G10 R11	K5-A7 PolarHBondContact O-N 3.42Å; K5-A7 VanDerWaalsContact O-N 3.14Å; A7-G9 PolarHBondContact O-N 3.29Å; A7-G10 WeakPolarHBondContact O-CA 3.22Å; A7-G10 PolarHBondContact O-N 3.26Å; A7-R11 PolarHBondContact O-N 2.91Å
8	V	57.5	Low	66	Low	121 Å²	121	120 Å²	120	73%	0.733	65%	0.652	S	S	*	*	H	α-helix	trans	-52.9	-29.9	-176.3	-179.9	0	0	0	0	112.3
9	G	61.2	Low	67.2	Low	51 Å²	51	115.3 Å²	115.3	53%	0.526	64%	0.635	S	S	.	*	H	α-helix	trans	-69.1	-38.6	172	0	0	0	0	0	114.9	A7 R11 K12 A13	A7-G9 PolarHBondContact O-N 3.29Å; G9-R11 VanDerWaalsContact C-N 3.34Å; G9-R11 PolarHBondContact O-N 3.31Å; G9-K12 PolarHBondContact O-N 2.85Å; G9-A13 PolarHBondContact O-N 3.34Å; G9-A13 VanDerWaalsContact O-N 3.17Å
10	G	69.9	Low	68.3	Low	27 Å²	27	116.6 Å²	116.6	28%	0.278	64%	0.636	S	S	.	*	H	α-helix	trans	-65.3	-35.4	178.1	0	0	0	0	0	112.7	A7 K12 A13 V14	A7-G10 WeakPolarHBondContact O-CA 3.22Å; A7-G10 PolarHBondContact O-N 3.26Å; G10-K12 VanDerWaalsContact C-N 3.34Å; G10-K12 PolarHBondContact O-N 3.43Å; G10-A13 PolarHBondContact O-N 3.5Å; G10-V14 VanDerWaalsContact O-CG2 3.28Å; G10-V14 WeakPolarHBondContact O-CG2 3.4Å; G10-V14 PolarHBondContact O-N 3.3Å; G10-V14 VanDerWaalsContact O-N 3.07Å
11	R	68.3	Low	69.4	Low	173 Å²	173	117.3 Å²	117.3	65%	0.653	63%	0.633	S	S	*	*	H	α-helix	trans	-65.3	-35.4	174.4	-68.8	-175.4	-178.3	178.5	-1	112.7	L6 A7 G9 R15	L6-R11 HydrophobicContact CB-CG 4.27Å; A7-R11 PolarHBondContact O-N 2.91Å; G9-R11 VanDerWaalsContact C-N 3.34Å; G9-R11 PolarHBondContact O-N 3.31Å; R11-R15 WeakPolarHBondContact O-CB 3.49Å; R11-R15 PolarHBondContact O-N 3.45Å
12	K	73.9	Confident	71.7	Confident	160 Å²	160	108.5 Å²	108.5	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-68.6	-44.4	176.1	-75.2	-172.7	177.5	-178.6	0	111.6	G9 G10 R15 A16	G9-K12 PolarHBondContact O-N 2.85Å; G10-K12 VanDerWaalsContact C-N 3.34Å; G10-K12 PolarHBondContact O-N 3.43Å; K12-R15 PolarHBondContact O-N 3.34Å; K12-A16 PolarHBondContact O-N 2.89Å
13	A	78.6	Confident	74.1	Confident	63 Å²	63	109.4 Å²	109.4	52%	0.521	59%	0.587	S	S	.	*	H	α-helix	trans	-61.8	-47.3	178.1	0	0	0	0	0	112.2	G9 G10 R15 A16 E17	G9-A13 PolarHBondContact O-N 3.34Å; G9-A13 VanDerWaalsContact O-N 3.17Å; G10-A13 PolarHBondContact O-N 3.5Å; A13-R15 VanDerWaalsContact C-N 3.28Å; A13-R15 PolarHBondContact O-N 2.85Å; A13-A16 WeakPolarHBondContact O-CB 3.47Å; A13-A16 PolarHBondContact O-N 3.12Å; A13-A16 VanDerWaalsContact O-N 3.13Å; A13-E17 PolarHBondContact O-N 3.07Å
14	V	81.5	Confident	76.2	Confident	59 Å²	59	109 Å²	109	36%	0.358	58%	0.576	S	S	.	*	H	α-helix	trans	-61	-36.6	177.1	173.9	0	0	0	0	111.7	G10 R18	G10-V14 VanDerWaalsContact O-CG2 3.28Å; G10-V14 WeakPolarHBondContact O-CG2 3.4Å; G10-V14 PolarHBondContact O-N 3.3Å; G10-V14 VanDerWaalsContact O-N 3.07Å; V14-R18 WeakPolarHBondContact O-CB 3.32Å; V14-R18 VanDerWaalsContact O-CG 3.28Å; V14-R18 WeakPolarHBondContact O-CG 3.43Å; V14-R18 PolarHBondContact O-N 3.35Å
15	R	80.9	Confident	77.8	Confident	203 Å²	203	105.9 Å²	105.9	77%	0.766	56%	0.559	S	S	*	*	H	α-helix	trans	-68	-38.6	176.2	-172.5	177.3	178.3	177.2	-0.5	112.1	R11 K12 A13 G19	R11-R15 WeakPolarHBondContact O-CB 3.49Å; R11-R15 PolarHBondContact O-N 3.45Å; K12-R15 PolarHBondContact O-N 3.34Å; A13-R15 VanDerWaalsContact C-N 3.28Å; A13-R15 PolarHBondContact O-N 2.85Å; R15-G19 PolarHBondContact O-N 3.04Å
16	A	85.1	Confident	79.7	Confident	63 Å²	63	101.1 Å²	101.1	52%	0.521	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-48.3	176.2	0	0	0	0	0	111.2	K12 A13 R18 G19 E20	K12-A16 PolarHBondContact O-N 2.89Å; A13-A16 WeakPolarHBondContact O-CB 3.47Å; A13-A16 PolarHBondContact O-N 3.12Å; A13-A16 VanDerWaalsContact O-N 3.13Å; A16-R18 PolarHBondContact O-N 3.22Å; A16-G19 WeakPolarHBondContact O-CA 3.37Å; A16-G19 PolarHBondContact O-N 3.23Å; A16-E20 PolarHBondContact O-N 3.23Å
17	E	85.9	Confident	81.5	Confident	98 Å²	98	98.6 Å²	98.6	46%	0.458	54%	0.535	S	S	.	.	H	α-helix	trans	-60.6	-43.1	177.8	-166.9	-164.7	157.8	0	0	112	A13 G19 E20 K21	A13-E17 PolarHBondContact O-N 3.07Å; E17-G19 VanDerWaalsContact C-N 3.29Å; E17-G19 PolarHBondContact O-N 3.36Å; E17-E20 PolarHBondContact O-N 3.23Å; E17-K21 WeakPolarHBondContact O-CG 3.41Å; E17-K21 PolarHBondContact O-N 2.99Å; E17-K21 WeakPolarHBondContact OE1-CE 3.28Å; E17-K21 IonicContact OE1-NZ 3.93Å; E17-K21 PolarHBondContact OE1-NZ 2.89Å
18	R	86.5	Confident	83.3	Confident	186 Å²	186	101.4 Å²	101.4	70%	0.702	54%	0.536	S	S	*	.	H	α-helix	trans	-61.1	-38.2	173.1	-75.2	178.1	-179.7	-165.5	-0.1	112.1	V14 A16 A22	V14-R18 WeakPolarHBondContact O-CB 3.32Å; V14-R18 VanDerWaalsContact O-CG 3.28Å; V14-R18 WeakPolarHBondContact O-CG 3.43Å; V14-R18 PolarHBondContact O-N 3.35Å; A16-R18 PolarHBondContact O-N 3.22Å; R18-A22 VanDerWaalsContact O-CB 3.28Å; R18-A22 WeakPolarHBondContact O-CB 3.48Å; R18-A22 PolarHBondContact O-N 3.43Å
19	G	89.7	Confident	85	Confident	31 Å²	31	102.4 Å²	102.4	32%	0.32	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-42.4	175.8	0	0	0	0	0	112.6	R15 A16 E17 A22 K23	R15-G19 PolarHBondContact O-N 3.04Å; A16-G19 WeakPolarHBondContact O-CA 3.37Å; A16-G19 PolarHBondContact O-N 3.23Å; E17-G19 VanDerWaalsContact C-N 3.29Å; E17-G19 PolarHBondContact O-N 3.36Å; G19-A22 PolarHBondContact O-N 3.01Å; G19-K23 VanDerWaalsContact O-CG 3.31Å; G19-K23 WeakPolarHBondContact O-CG 3.37Å; G19-K23 PolarHBondContact O-N 3.48Å
20	E	89.4	Confident	86.5	Confident	141 Å²	141	104.7 Å²	104.7	66%	0.659	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-44.8	176	-68	-156.1	136.9	0	0	112.5	A16 E17 A22 K23 A24	A16-E20 PolarHBondContact O-N 3.23Å; E17-E20 PolarHBondContact O-N 3.23Å; E20-A22 VanDerWaalsContact C-N 3.3Å; E20-A22 PolarHBondContact O-N 3.43Å; E20-K23 WeakPolarHBondContact O-CB 3.36Å; E20-K23 PolarHBondContact O-N 2.86Å; E20-K23 VanDerWaalsContact O-N 3.16Å; E20-A24 WeakPolarHBondContact O-CB 3.47Å; E20-A24 PolarHBondContact O-N 3.11Å
21	K	91	Very high	87.7	Confident	131 Å²	131	110.9 Å²	110.9	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-58.8	-42.1	173.9	-72.1	-178.8	-176.1	173	0	111.7	E17 A24 L25	E17-K21 WeakPolarHBondContact O-CG 3.41Å; E17-K21 PolarHBondContact O-N 2.99Å; E17-K21 WeakPolarHBondContact OE1-CE 3.28Å; E17-K21 IonicContact OE1-NZ 3.93Å; E17-K21 PolarHBondContact OE1-NZ 2.89Å; K21-A24 PolarHBondContact O-N 3.02Å; K21-L25 WeakPolarHBondContact O-CB 3.41Å; K21-L25 PolarHBondContact O-N 3.07Å
22	A	91	Very high	88.9	Confident	46 Å²	46	104.6 Å²	104.6	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-43.6	175.5	0	0	0	0	0	111.9	R18 G19 E20 L25 I26	R18-A22 VanDerWaalsContact O-CB 3.28Å; R18-A22 WeakPolarHBondContact O-CB 3.48Å; R18-A22 PolarHBondContact O-N 3.43Å; G19-A22 PolarHBondContact O-N 3.01Å; E20-A22 VanDerWaalsContact C-N 3.3Å; E20-A22 PolarHBondContact O-N 3.43Å; A22-L25 PolarHBondContact O-N 3.42Å; A22-I26 WeakPolarHBondContact O-CB 3.29Å; A22-I26 WeakPolarHBondContact O-CD1 3.39Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 2.83Å
23	K	91.8	Very high	89.7	Confident	154 Å²	154	104.4 Å²	104.4	67%	0.67	53%	0.533	S	S	*	.	H	α-helix	trans	-61.4	-44.6	175.5	-75.5	175	-178.4	-178.9	0	111.9	G19 E20 I26 A27	G19-K23 VanDerWaalsContact O-CG 3.31Å; G19-K23 WeakPolarHBondContact O-CG 3.37Å; G19-K23 PolarHBondContact O-N 3.48Å; E20-K23 WeakPolarHBondContact O-CB 3.36Å; E20-K23 PolarHBondContact O-N 2.86Å; E20-K23 VanDerWaalsContact O-N 3.16Å; K23-I26 PolarHBondContact O-N 3.47Å; K23-A27 WeakPolarHBondContact O-CB 3.36Å; K23-A27 PolarHBondContact O-N 2.82Å
24	A	93.4	Very high	90.4	Very high	61 Å²	61	108.4 Å²	108.4	50%	0.504	54%	0.539	S	S	.	.	H	α-helix	trans	-61.7	-46.2	177.3	0	0	0	0	0	111.5	E20 K21 I26 A27 E28	E20-A24 WeakPolarHBondContact O-CB 3.47Å; E20-A24 PolarHBondContact O-N 3.11Å; K21-A24 PolarHBondContact O-N 3.02Å; A24-I26 PolarHBondContact O-N 2.8Å; A24-A27 PolarHBondContact O-N 2.85Å; A24-E28 WeakPolarHBondContact O-CB 3.43Å; A24-E28 PolarHBondContact O-N 3.16Å
25	L	93	Very high	90.9	Very high	87 Å²	87	110.2 Å²	110.2	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-64.6	-37.7	177.7	-172.3	128.3	0	0	0	112.5	K21 A22 K29	K21-L25 WeakPolarHBondContact O-CB 3.41Å; K21-L25 PolarHBondContact O-N 3.07Å; A22-L25 PolarHBondContact O-N 3.42Å; L25-K29 HydrophobicContact CD2-CD 4.06Å; L25-K29 WeakPolarHBondContact O-CB 3.4Å; L25-K29 VanDerWaalsContact O-CG 3.3Å; L25-K29 WeakPolarHBondContact O-CG 3.44Å; L25-K29 PolarHBondContact O-N 2.93Å
26	I	93.3	Very high	91.3	Very high	97 Å²	97	108.6 Å²	108.6	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-64.7	-45	172.7	-69	163.7	0	0	0	110.2	A22 K23 A24 E28 K29 L30	A22-I26 WeakPolarHBondContact O-CB 3.29Å; A22-I26 WeakPolarHBondContact O-CD1 3.39Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 2.83Å; K23-I26 PolarHBondContact O-N 3.47Å; A24-I26 PolarHBondContact O-N 2.8Å; I26-E28 PolarHBondContact O-N 3.39Å; I26-K29 PolarHBondContact O-N 2.83Å; I26-L30 HydrophobicContact CG2-CD1 4.01Å; I26-L30 HydrophobicContact CG2-CG 4.42Å; I26-L30 WeakPolarHBondContact O-CB 3.39Å; I26-L30 VanDerWaalsContact O-CG 3.29Å; I26-L30 WeakPolarHBondContact O-CG 3.44Å; I26-L30 PolarHBondContact O-N 3.06Å
27	A	93.5	Very high	91.4	Very high	44 Å²	44	108.5 Å²	108.5	36%	0.364	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-40.9	179	0	0	0	0	0	112.3	K23 A24 L30 K31	K23-A27 WeakPolarHBondContact O-CB 3.36Å; K23-A27 PolarHBondContact O-N 2.82Å; A24-A27 PolarHBondContact O-N 2.85Å; A27-L30 PolarHBondContact O-N 3.04Å; A27-K31 WeakPolarHBondContact O-CG 3.4Å; A27-K31 PolarHBondContact O-N 3.49Å
28	E	93.6	Very high	91.5	Very high	134 Å²	134	108.5 Å²	108.5	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-47.1	175	-167.9	-172.9	169.3	0	0	111.6	A24 I26 L30 K31 A32	A24-E28 WeakPolarHBondContact O-CB 3.43Å; A24-E28 PolarHBondContact O-N 3.16Å; I26-E28 PolarHBondContact O-N 3.39Å; E28-L30 VanDerWaalsContact C-N 3.28Å; E28-L30 PolarHBondContact O-N 3.11Å; E28-K31 PolarHBondContact O-N 3.47Å; E28-A32 WeakPolarHBondContact O-CB 3.34Å; E28-A32 PolarHBondContact O-N 2.93Å
29	K	93.8	Very high	91.6	Very high	141 Å²	141	104.6 Å²	104.6	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-58.3	-39.4	174.2	-76.3	179.2	176.9	-177.2	0	112.3	L25 I26 K33	L25-K29 HydrophobicContact CD2-CD 4.06Å; L25-K29 WeakPolarHBondContact O-CB 3.4Å; L25-K29 VanDerWaalsContact O-CG 3.3Å; L25-K29 WeakPolarHBondContact O-CG 3.44Å; L25-K29 PolarHBondContact O-N 2.93Å; I26-K29 PolarHBondContact O-N 2.83Å; K29-K33 WeakPolarHBondContact O-CB 3.44Å; K29-K33 PolarHBondContact O-N 3.32Å
30	L	93.3	Very high	91.4	Very high	99 Å²	99	108.3 Å²	108.3	52%	0.518	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-42.6	176.2	-72.9	172	0	0	0	112	I26 A27 E28 K33 K34	I26-L30 HydrophobicContact CG2-CD1 4.01Å; I26-L30 HydrophobicContact CG2-CG 4.42Å; I26-L30 WeakPolarHBondContact O-CB 3.39Å; I26-L30 VanDerWaalsContact O-CG 3.29Å; I26-L30 WeakPolarHBondContact O-CG 3.44Å; I26-L30 PolarHBondContact O-N 3.06Å; A27-L30 PolarHBondContact O-N 3.04Å; E28-L30 VanDerWaalsContact C-N 3.28Å; E28-L30 PolarHBondContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 3.06Å; L30-K34 WeakPolarHBondContact O-CG 3.4Å; L30-K34 PolarHBondContact O-N 3.29Å
31	K	93.6	Very high	91.2	Very high	157 Å²	157	107.8 Å²	107.8	68%	0.683	53%	0.526	S	S	*	.	H	α-helix	trans	-61.6	-47.5	174.7	-73.9	179	-179.2	-176.6	0	111.4	A27 E28 K33 K34 L35	A27-K31 WeakPolarHBondContact O-CG 3.4Å; A27-K31 PolarHBondContact O-N 3.49Å; E28-K31 PolarHBondContact O-N 3.47Å; K31-K33 VanDerWaalsContact C-N 3.32Å; K31-K33 PolarHBondContact O-N 3.41Å; K31-K34 PolarHBondContact O-N 3.28Å; K31-L35 PolarHBondContact O-N 2.88Å
32	A	93.9	Very high	91	Very high	41 Å²	41	107.2 Å²	107.2	34%	0.339	52%	0.523	S	S	.	.	H	α-helix	trans	-60.8	-39.9	176.8	0	0	0	0	0	112.2	E28 L35 R36	E28-A32 WeakPolarHBondContact O-CB 3.34Å; E28-A32 PolarHBondContact O-N 2.93Å; A32-L35 PolarHBondContact O-N 2.85Å; A32-R36 WeakPolarHBondContact O-CG 3.37Å; A32-R36 PolarHBondContact O-N 3.19Å; A32-R36 VanDerWaalsContact O-N 3.08Å
33	K	91.7	Very high	90.7	Very high	156 Å²	156	108.2 Å²	108.2	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-63.4	-42	175.4	-173.3	179	179.2	-178.8	0	112.1	K29 L30 K31 A37	K29-K33 WeakPolarHBondContact O-CB 3.44Å; K29-K33 PolarHBondContact O-N 3.32Å; L30-K33 PolarHBondContact O-N 3.06Å; K31-K33 VanDerWaalsContact C-N 3.32Å; K31-K33 PolarHBondContact O-N 3.41Å; K33-A37 PolarHBondContact O-N 3.38Å; K33-A37 VanDerWaalsContact O-N 3.13Å
34	K	91.9	Very high	90.3	Very high	147 Å²	147	104.3 Å²	104.3	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-63	-47.3	176.3	-74.3	-178.3	177.6	-171.7	0	111.7	L30 K31 R36 A37 E38	L30-K34 WeakPolarHBondContact O-CG 3.4Å; L30-K34 PolarHBondContact O-N 3.29Å; K31-K34 PolarHBondContact O-N 3.28Å; K34-R36 VanDerWaalsContact C-N 3.35Å; K34-R36 PolarHBondContact O-N 2.94Å; K34-A37 WeakPolarHBondContact O-CB 3.28Å; K34-A37 PolarHBondContact O-N 3.43Å; K34-A37 VanDerWaalsContact O-N 3.07Å; K34-E38 PolarHBondContact O-N 3.06Å
35	L	93	Very high	89.8	Confident	97 Å²	97	107.9 Å²	107.9	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-59.4	-43.9	178.8	-168.8	116.7	0	0	0	112	K31 A32 A37 E38 Q39	K31-L35 PolarHBondContact O-N 2.88Å; A32-L35 PolarHBondContact O-N 2.85Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.11Å; L35-E38 PolarHBondContact O-N 3.19Å; L35-Q39 WeakPolarHBondContact O-CG 3.33Å; L35-Q39 PolarHBondContact O-N 3.21Å
36	R	88.3	Confident	89.4	Confident	169 Å²	169	111 Å²	111	64%	0.638	52%	0.521	S	S	*	.	H	α-helix	trans	-61	-38.1	174.4	-71.8	175.5	-172.2	175.4	2.3	112.7	A32 K34 R40	A32-R36 WeakPolarHBondContact O-CG 3.37Å; A32-R36 PolarHBondContact O-N 3.19Å; A32-R36 VanDerWaalsContact O-N 3.08Å; K34-R36 VanDerWaalsContact C-N 3.35Å; K34-R36 PolarHBondContact O-N 2.94Å; R36-R40 WeakPolarHBondContact O-CG 3.47Å; R36-R40 PolarHBondContact O-N 2.82Å; R36-R40 VanDerWaalsContact O-N 3.14Å
37	A	86.8	Confident	88.7	Confident	61 Å²	61	110.3 Å²	110.3	50%	0.504	52%	0.524	S	S	.	.	H	α-helix	trans	-69	-40.1	178.1	0	0	0	0	0	111.8	K33 K34 L35 R40 R41	K33-A37 PolarHBondContact O-N 3.38Å; K33-A37 VanDerWaalsContact O-N 3.13Å; K34-A37 WeakPolarHBondContact O-CB 3.28Å; K34-A37 PolarHBondContact O-N 3.43Å; K34-A37 VanDerWaalsContact O-N 3.07Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.11Å; A37-R40 PolarHBondContact O-N 3.49Å; A37-R41 PolarHBondContact O-N 3.42Å
38	E	89.8	Confident	87.9	Confident	99 Å²	99	109.8 Å²	109.8	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-42.8	175.4	-73.8	175	-177.7	0	0	112.3	K34 L35 R40 R41 K42	K34-E38 PolarHBondContact O-N 3.06Å; L35-E38 PolarHBondContact O-N 3.19Å; E38-R40 PolarHBondContact O-N 2.84Å; E38-R41 WeakPolarHBondContact O-CB 3.48Å; E38-R41 PolarHBondContact O-N 2.95Å; E38-R41 VanDerWaalsContact O-N 3.13Å; E38-K42 PolarHBondContact O-N 3.45Å
39	Q	88.6	Confident	87	Confident	104 Å²	104	108.9 Å²	108.9	49%	0.486	52%	0.521	S	S	.	.	H	α-helix	trans	-58.4	-46.5	174.4	-74.7	174.3	-24.6	0	0	111.6	L35 R41 K42 I43	L35-Q39 WeakPolarHBondContact O-CG 3.33Å; L35-Q39 PolarHBondContact O-N 3.21Å; Q39-R41 VanDerWaalsContact C-N 3.27Å; Q39-R41 PolarHBondContact O-N 3.27Å; Q39-K42 PolarHBondContact O-N 2.86Å; Q39-I43 VanDerWaalsContact O-CG1 3.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.56Å
40	R	84.5	Confident	86	Confident	108 Å²	108	111.1 Å²	111.1	41%	0.408	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-33.5	175.7	-73.2	174.6	176.4	-163.7	-4	112.9	R36 A37 E38 R44	R36-R40 WeakPolarHBondContact O-CG 3.47Å; R36-R40 PolarHBondContact O-N 2.82Å; R36-R40 VanDerWaalsContact O-N 3.14Å; A37-R40 PolarHBondContact O-N 3.49Å; E38-R40 PolarHBondContact O-N 2.84Å; R40-R44 WeakPolarHBondContact O-CB 3.35Å; R40-R44 PolarHBondContact O-N 3.2Å; R40-R44 VanDerWaalsContact O-N 3.13Å
41	R	84.5	Confident	85	Confident	131 Å²	131	108.9 Å²	108.9	49%	0.494	53%	0.53	S	S	.	.	H	α-helix	trans	-67	-46.6	175.5	-169.9	-178.6	70.5	-148.1	-3.6	110.9	A37 E38 Q39 R44 E45	A37-R41 PolarHBondContact O-N 3.42Å; E38-R41 WeakPolarHBondContact O-CB 3.48Å; E38-R41 PolarHBondContact O-N 2.95Å; E38-R41 VanDerWaalsContact O-N 3.13Å; Q39-R41 VanDerWaalsContact C-N 3.27Å; Q39-R41 PolarHBondContact O-N 3.27Å; R41-R44 WeakPolarHBondContact O-CB 3.42Å; R41-R44 PolarHBondContact O-N 3.21Å; R41-E45 WeakPolarHBondContact CG-OE1 3.46Å; R41-E45 IonicContact NE-OE1 2.66Å; R41-E45 WeakPolarHBondContact O-CG 3.12Å; R41-E45 PolarHBondContact O-N 3.23Å
42	K	87.8	Confident	83.9	Confident	119 Å²	119	102.6 Å²	102.6	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-46.6	176.1	-69	-176.3	177.3	-170.8	0	112.2	E38 Q39 R44 E45 E46	E38-K42 PolarHBondContact O-N 3.45Å; Q39-K42 PolarHBondContact O-N 2.86Å; K42-R44 PolarHBondContact O-N 3.18Å; K42-E45 WeakPolarHBondContact O-CB 3.27Å; K42-E45 PolarHBondContact O-N 2.95Å; K42-E46 WeakPolarHBondContact O-CG 3.35Å; K42-E46 PolarHBondContact O-N 3.4Å
43	I	84.6	Confident	83.1	Confident	66 Å²	66	104.9 Å²	104.9	34%	0.338	52%	0.517	S	S	.	.	H	α-helix	trans	-60.2	-36.5	177.3	-64.7	163.2	0	0	0	111.4	Q39 E46 C47 A51 C52	Q39-I43 VanDerWaalsContact O-CG1 3.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.56Å; I43-E46 PolarHBondContact O-N 3.45Å; I43-C47 WeakPolarHBondContact O-CB 3.39Å; I43-C47 PolarHBondContact O-N 2.76Å; I43-A51 HydrophobicContact CG2-CB 4.24Å; I43-C52 HydrophobicContact CB-CB 4.45Å; I43-C52 HydrophobicContact CG2-CB 4.05Å; I43-C52 VanDerWaalsContact CG2-SG 3.54Å
44	R	83	Confident	82.4	Confident	72 Å²	72	102.8 Å²	102.8	27%	0.272	51%	0.512	S	S	.	.	H	α-helix	trans	-70.5	-33.2	176.5	-174.9	-179.4	-66.4	139.8	6.4	112.8	R40 R41 K42 G48 L49 C52 I54	R40-R44 WeakPolarHBondContact O-CB 3.35Å; R40-R44 PolarHBondContact O-N 3.2Å; R40-R44 VanDerWaalsContact O-N 3.13Å; R41-R44 WeakPolarHBondContact O-CB 3.42Å; R41-R44 PolarHBondContact O-N 3.21Å; K42-R44 PolarHBondContact O-N 3.18Å; R44-G48 CarbonylContact O-C 3.57Å; R44-G48 VanDerWaalsContact O-CA 3.28Å; R44-G48 WeakPolarHBondContact O-CA 3.35Å; R44-G48 PolarHBondContact O-N 2.73Å; R44-L49 HydrophobicContact CG-CD2 3.96Å; R44-C52 PolarHBondContact NE-O 3.35Å; R44-C52 PolarHBondContact NH2-O 3.41Å; R44-I54 VanDerWaalsContact CZ-CG1 3.46Å
45	E	83.2	Confident	81.7	Confident	137 Å²	137	102.3 Å²	102.3	64%	0.64	51%	0.512	S	S	*	.	H	α-helix	trans	-70	-39.7	174	-71.9	165.6	-168.1	0	0	111.1	R41 K42	R41-E45 WeakPolarHBondContact CG-OE1 3.46Å; R41-E45 IonicContact NE-OE1 2.66Å; R41-E45 WeakPolarHBondContact O-CG 3.12Å; R41-E45 PolarHBondContact O-N 3.23Å; K42-E45 WeakPolarHBondContact O-CB 3.27Å; K42-E45 PolarHBondContact O-N 2.95Å
46	E	85.5	Confident	80.9	Confident	152 Å²	152	105 Å²	105	71%	0.71	52%	0.522	S	S	*	.	H	α-helix	trans	-79.5	-47.4	-177.7	-70.5	170.3	-172.7	0	0	113.5	K42 I43	K42-E46 WeakPolarHBondContact O-CG 3.35Å; K42-E46 PolarHBondContact O-N 3.4Å; I43-E46 PolarHBondContact O-N 3.45Å
47	C	78.6	Confident	80.7	Confident	83 Å²	83	101.4 Å²	101.4	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-110.1	6.9	-170.1	-61	0	0	0	0	113.6	I43 A51	I43-C47 WeakPolarHBondContact O-CB 3.39Å; I43-C47 PolarHBondContact O-N 2.76Å; C47-A51 HydrophobicContact CB-CB 3.29Å
48	G	76	Confident	80.4	Confident	33 Å²	33	109.7 Å²	109.7	34%	0.34	54%	0.539	S	S	.	.	H	α-helix	trans	76.8	179.2	-178	0	0	0	0	0	114.6	R44 E50 A51	R44-G48 CarbonylContact O-C 3.57Å; R44-G48 VanDerWaalsContact O-CA 3.28Å; R44-G48 WeakPolarHBondContact O-CA 3.35Å; R44-G48 PolarHBondContact O-N 2.73Å; G48-E50 PolarHBondContact O-N 2.84Å; G48-A51 PolarHBondContact O-N 3.1Å
49	L	74	Confident	80	Confident	114 Å²	114	107.6 Å²	107.6	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-27.5	-176	-75.4	164.9	0	0	0	113.6	R44 C52 P53 I54	R44-L49 HydrophobicContact CG-CD2 3.96Å; L49-C52 CarbonylContact O-C 3.58Å; L49-P53 WeakPolarHBondContact O-CA 3.47Å; L49-I54 HydrophobicContact CD2-CD1 4.48Å
50	E	72.4	Confident	79.6	Confident	188 Å²	188	108.2 Å²	108.2	88%	0.879	54%	0.538	S	S	*	.	H	α-helix	trans	-69.3	-36	-177.4	-63.8	-173.7	161.8	0	0	112.7	G48 C52	G48-E50 PolarHBondContact O-N 2.84Å; E50-C52 PolarHBondContact O-N 2.9Å
51	A	72.4	Confident	79.1	Confident	53 Å²	53	106.6 Å²	106.6	44%	0.438	54%	0.535	S	S	.	.	H	α-helix	trans	-72.6	-28.9	-177.8	0	0	0	0	0	113.6	I43 C47 G48	I43-A51 HydrophobicContact CG2-CB 4.24Å; C47-A51 HydrophobicContact CB-CB 3.29Å; G48-A51 PolarHBondContact O-N 3.1Å
52	C	70.9	Confident	78.7	Confident	25 Å²	25	105.4 Å²	105.4	17%	0.169	54%	0.539	C	S	.	.	S	Bend	trans	-142.8	80.1	177.2	-94.8	0	0	0	0	110.1	I43 R44 L49 E50	I43-C52 HydrophobicContact CB-CB 4.45Å; I43-C52 HydrophobicContact CG2-CB 4.05Å; I43-C52 VanDerWaalsContact CG2-SG 3.54Å; R44-C52 PolarHBondContact NE-O 3.35Å; R44-C52 PolarHBondContact NH2-O 3.41Å; L49-C52 CarbonylContact O-C 3.58Å; E50-C52 PolarHBondContact O-N 2.9Å
53	P	76.7	Confident	78.4	Confident	89 Å²	89	104 Å²	104	58%	0.578	54%	0.54	S	S	*	.			trans	-59.7	146.1	-179.6	23.5	-32.8	0	0	0	110.4	L49 Q55	L49-P53 WeakPolarHBondContact O-CA 3.47Å; P53-Q55 PolarHBondContact O-N 2.65Å
54	I	78.5	Confident	78.3	Confident	111 Å²	111	106.8 Å²	106.8	57%	0.569	55%	0.546	S	S	*	.			trans	-64.4	111.9	172.6	-62.7	170.1	0	0	0	106.5	R44 L49 Q56	R44-I54 VanDerWaalsContact CZ-CG1 3.46Å; L49-I54 HydrophobicContact CD2-CD1 4.48Å; I54-Q56 PolarHBondContact O-N 2.69Å
55	Q	75.8	Confident	78.2	Confident	137 Å²	137	111.6 Å²	111.6	64%	0.64	57%	0.572	S	S	*	*			trans	-62.5	103.4	176.3	-69.4	-172.3	-23.7	0	0	108.3	P53	P53-Q55 PolarHBondContact O-N 2.65Å
56	Q	77.6	Confident	78	Confident	155 Å²	155	112.5 Å²	112.5	72%	0.724	57%	0.574	S	S	*	*			trans	-66.2	127.7	172.5	-67.2	-177.5	-9.2	0	0	107.9	I54 R58	I54-Q56 PolarHBondContact O-N 2.69Å; Q56-R58 PolarHBondContact O-N 2.87Å
57	P	82.6	Confident	77.8	Confident	92 Å²	92	107.8 Å²	107.8	60%	0.597	55%	0.553	S	S	*	*			trans	-62	139.5	175.5	25.5	-31.7	0	0	0	109.2	T59 N62	P57-T59 HydrophobicContact CB-CG2 4.34Å; P57-T59 HydrophobicContact CG-CG2 4.12Å; P57-T59 PolarHBondContact O-N 3.33Å; P57-N62 PolarHBondContact O-ND2 3.16Å
58	R	81.9	Confident	78	Confident	236 Å²	236	112.5 Å²	112.5	89%	0.891	57%	0.567	S	S	*	*			trans	-69	87.7	166.5	-68.8	-173.9	177.9	-174.7	-2.3	108.2	Q56	Q56-R58 PolarHBondContact O-N 2.87Å
59	T	80.7	Confident	78.4	Confident	55 Å²	55	113.9 Å²	113.9	34%	0.337	57%	0.569	S	S	.	*			trans	-83.4	156.6	169.8	57.2	0	0	0	0	108.9	P57 E61 N62 T63	P57-T59 HydrophobicContact CB-CG2 4.34Å; P57-T59 HydrophobicContact CG-CG2 4.12Å; P57-T59 PolarHBondContact O-N 3.33Å; T59-E61 PolarHBondContact O-N 2.79Å; T59-N62 PolarHBondContact O-N 3.27Å; T59-N62 WeakPolarHBondContact OG1-CB 3.44Å; T59-N62 PolarHBondContact OG1-N 2.76Å; T59-N62 PolarHBondContact OG1-ND2 2.93Å; T59-N62 PolarHBondContact OG1-OD1 3.05Å; T59-T63 WeakPolarHBondContact O-CB 3.13Å; T59-T63 PolarHBondContact O-N 3.15Å; T59-T63 PolarHBondContact O-OG1 3.28Å
60	I	80	Confident	79	Confident	117 Å²	117	111.2 Å²	111.2	60%	0.6	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-35.3	175.8	-66.5	168.6	0	0	0	110.4	T63 R64	I60-T63 PolarHBondContact O-N 2.9Å; I60-R64 PolarHBondContact O-N 2.75Å; I60-R64 VanDerWaalsContact O-N 3.16Å
61	E	73.7	Confident	79.6	Confident	74 Å²	74	103.6 Å²	103.6	35%	0.346	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-47.2	175.6	-52.8	-58.5	154.4	0	0	111.9	T59 T63 R64	T59-E61 PolarHBondContact O-N 2.79Å; E61-T63 PolarHBondContact O-N 3.22Å; E61-R64 VanDerWaalsContact O-CB 3.28Å; E61-R64 WeakPolarHBondContact O-CB 3.37Å; E61-R64 PolarHBondContact O-N 3.15Å
62	N	76.3	Confident	80.2	Confident	106 Å²	106	106.6 Å²	106.6	57%	0.567	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.2	-179.5	-68.3	0.6	0	0	0	113.2	P57 T59	P57-N62 PolarHBondContact O-ND2 3.16Å; T59-N62 PolarHBondContact O-N 3.27Å; T59-N62 WeakPolarHBondContact OG1-CB 3.44Å; T59-N62 PolarHBondContact OG1-N 2.76Å; T59-N62 PolarHBondContact OG1-ND2 2.93Å; T59-N62 PolarHBondContact OG1-OD1 3.05Å
63	T	82.2	Confident	80.7	Confident	89 Å²	89	110.6 Å²	110.6	55%	0.546	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.7	9.1	179.7	-37	0	0	0	0	111.1	T59 I60 E61 E65	T59-T63 WeakPolarHBondContact O-CB 3.13Å; T59-T63 PolarHBondContact O-N 3.15Å; T59-T63 PolarHBondContact O-OG1 3.28Å; I60-T63 PolarHBondContact O-N 2.9Å; E61-T63 PolarHBondContact O-N 3.22Å; T63-E65 PolarHBondContact O-N 2.87Å
64	R	81.3	Confident	81.1	Confident	124 Å²	124	113.3 Å²	113.3	47%	0.468	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-67.4	132.4	177.9	-172.2	177.1	174.8	167	-1.8	109.1	I60 E61 D67	I60-R64 PolarHBondContact O-N 2.75Å; I60-R64 VanDerWaalsContact O-N 3.16Å; E61-R64 VanDerWaalsContact O-CB 3.28Å; E61-R64 WeakPolarHBondContact O-CB 3.37Å; E61-R64 PolarHBondContact O-N 3.15Å; R64-D67 IonicContact NH2-OD2 3.62Å
65	E	82.1	Confident	81.6	Confident	173 Å²	173	110 Å²	110	81%	0.808	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-62.4	140.5	171	-67.8	177.2	175	0	0	109.2	T63 D67	T63-E65 PolarHBondContact O-N 2.87Å; E65-D67 PolarHBondContact O-N 2.82Å
66	F	78.9	Confident	82.2	Confident	156 Å²	156	108.1 Å²	108.1	68%	0.684	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-60.4	130	175.6	-178.2	-96.3	0	0	0	108.9
67	D	81.9	Confident	82.7	Confident	53 Å²	53	106.2 Å²	106.2	28%	0.283	53%	0.534	S	S	.	.			trans	-108.1	127.8	178.5	170.6	-5.9	0	0	0	106.5	R64 E65 T69 F70	R64-D67 IonicContact NH2-OD2 3.62Å; E65-D67 PolarHBondContact O-N 2.82Å; D67-T69 PolarHBondContact O-N 3.27Å; D67-T69 VanDerWaalsContact O-N 3.13Å; D67-T69 WeakPolarHBondContact OD1-CB 3.38Å; D67-T69 PolarHBondContact OD1-N 3.42Å; D67-T69 PolarHBondContact OD1-OG1 3.44Å; D67-T69 PolarHBondContact OD2-OG1 3.31Å; D67-F70 HydrophobicContact CB-CD2 3.71Å; D67-F70 HydrophobicContact CB-CE2 3.71Å; D67-F70 WeakPolarHBondContact O-CD2 3.45Å; D67-F70 PolarHBondContact O-N 2.87Å
68	E	81.4	Confident	83	Confident	182 Å²	182	102.1 Å²	102.1	85%	0.85	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.1	-174.5	-62.6	176.7	171	0	0	112.4	F70	E68-F70 PolarHBondContact O-N 2.81Å
69	T	84.4	Confident	83.3	Confident	62 Å²	62	94.5 Å²	94.5	38%	0.38	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.6	-179.8	67.1	0	0	0	0	114.3	D67 V71 T208 R209	D67-T69 PolarHBondContact O-N 3.27Å; D67-T69 VanDerWaalsContact O-N 3.13Å; D67-T69 WeakPolarHBondContact OD1-CB 3.38Å; D67-T69 PolarHBondContact OD1-N 3.42Å; D67-T69 PolarHBondContact OD1-OG1 3.44Å; D67-T69 PolarHBondContact OD2-OG1 3.31Å; T69-V71 PolarHBondContact O-N 2.92Å; T69-T208 CarbonylContact O-C 3.37Å; T69-T208 VanDerWaalsContact O-CA 3.29Å; T69-T208 WeakPolarHBondContact O-CA 3.29Å; T69-R209 PolarHBondContact O-N 3.35Å
70	F	86.4	Confident	83.7	Confident	59 Å²	59	97.2 Å²	97.2	26%	0.259	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-67.8	123.4	174.6	-89.6	-107.3	0	0	0	110.6	D67 E68 Q72 S207 T208	D67-F70 HydrophobicContact CB-CD2 3.71Å; D67-F70 HydrophobicContact CB-CE2 3.71Å; D67-F70 WeakPolarHBondContact O-CD2 3.45Å; D67-F70 PolarHBondContact O-N 2.87Å; E68-F70 PolarHBondContact O-N 2.81Å; F70-Q72 PolarHBondContact O-N 3.11Å; F70-S207 WeakPolarHBondContact CE1-OG 3.44Å; F70-S207 WeakPolarHBondContact CZ-OG 3.36Å; F70-T208 HydrophobicContact CD2-CG2 4.13Å; F70-T208 HydrophobicContact CE2-CG2 4.06Å
71	V	85.6	Confident	84.1	Confident	28 Å²	28	96.2 Å²	96.2	17%	0.17	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-67	129.4	179	172.4	0	0	0	0	109.3	T69 D78 S207 R209 H212	T69-V71 PolarHBondContact O-N 2.92Å; V71-D78 WeakPolarHBondContact CA-OD2 3.39Å; V71-D78 HydrophobicContact CG1-CB 4.06Å; V71-D78 WeakPolarHBondContact CG1-OD2 3.49Å; V71-S207 PolarHBondContact N-O 3.33Å; V71-R209 HydrophobicContact CG2-CB 4.32Å; V71-R209 HydrophobicContact CG2-CG 3.73Å; V71-H212 HydrophobicContact CG2-CB 4.4Å
72	Q	85.3	Confident	84.8	Confident	115 Å²	115	95.6 Å²	95.6	54%	0.537	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-98.4	131.4	171.1	-62	-171.2	1.3	0	0	108.5	F70 D74 D75 D78	F70-Q72 PolarHBondContact O-N 3.11Å; Q72-D74 PolarHBondContact O-N 3.49Å; Q72-D75 HydrophobicContact CB-CB 4.17Å; Q72-D75 PolarHBondContact O-N 2.79Å; Q72-D75 VanDerWaalsContact O-N 3.15Å; Q72-D78 PolarHBondContact N-OD2 3.15Å
73	P	80.6	Confident	85.4	Confident	110 Å²	110	94.7 Å²	94.7	71%	0.714	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.9	-171.9	24.6	-34.6	0	0	0	114.1
74	D	85	Confident	85.8	Confident	145 Å²	145	95.4 Å²	95.4	78%	0.775	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	7.5	-176.5	-57.9	-45.7	0	0	0	112.9	Q72 P76	Q72-D74 PolarHBondContact O-N 3.49Å; D74-P76 WeakPolarHBondContact O-CD 2.92Å
75	D	88.9	Confident	86.2	Confident	42 Å²	42	91.1 Å²	91.1	23%	0.225	47%	0.471	C	S	.	.			trans	-74.7	117.9	177.6	-171.3	-10.3	0	0	0	110.2	Q72 E77 D78 I79 R209	Q72-D75 HydrophobicContact CB-CB 4.17Å; Q72-D75 PolarHBondContact O-N 2.79Å; Q72-D75 VanDerWaalsContact O-N 3.15Å; D75-E77 PolarHBondContact O-N 3.24Å; D75-E77 PolarHBondContact OD1-N 2.91Å; D75-E77 VanDerWaalsContact OD1-N 3.09Å; D75-D78 HydrophobicContact CB-CB 4.35Å; D75-D78 PolarHBondContact O-N 2.86Å; D75-I79 WeakPolarHBondContact O-CG1 3.43Å; D75-I79 PolarHBondContact O-N 2.96Å; D75-R209 IonicContact OD2-NH2 2.92Å
76	P	89.2	Confident	86.6	Confident	98 Å²	98	87.9 Å²	87.9	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-60.5	-27.5	-179.9	25.2	-36.3	0	0	0	113.5	D74 L80	D74-P76 WeakPolarHBondContact O-CD 2.92Å; P76-L80 WeakPolarHBondContact O-CB 3.48Å; P76-L80 PolarHBondContact O-N 3.34Å; P76-L80 VanDerWaalsContact O-N 3.1Å
77	E	89.2	Confident	87.2	Confident	115 Å²	115	80.5 Å²	80.5	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-50.3	178.3	-66.3	-172.5	174	0	0	111.2	D75 I79 L80 E81 R209	D75-E77 PolarHBondContact O-N 3.24Å; D75-E77 PolarHBondContact OD1-N 2.91Å; D75-E77 VanDerWaalsContact OD1-N 3.09Å; E77-I79 VanDerWaalsContact C-N 3.31Å; E77-I79 PolarHBondContact O-N 2.98Å; E77-L80 PolarHBondContact O-N 3.13Å; E77-L80 VanDerWaalsContact O-N 3.12Å; E77-E81 WeakPolarHBondContact O-CG 3.34Å; E77-E81 PolarHBondContact O-N 2.93Å; E77-R209 IonicContact OE2-NH2 3.77Å
78	D	87.1	Confident	87.6	Confident	6 Å²	6	78.3 Å²	78.3	3%	0.032	41%	0.413	C	S	.	.	H	α-helix	trans	-61.4	-40.7	-179.9	-69.2	-26.5	0	0	0	110.8	V71 Q72 D75 L80 E81 E82 R209	V71-D78 WeakPolarHBondContact CA-OD2 3.39Å; V71-D78 HydrophobicContact CG1-CB 4.06Å; V71-D78 WeakPolarHBondContact CG1-OD2 3.49Å; Q72-D78 PolarHBondContact N-OD2 3.15Å; D75-D78 HydrophobicContact CB-CB 4.35Å; D75-D78 PolarHBondContact O-N 2.86Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.11Å; D78-E81 PolarHBondContact O-N 3.27Å; D78-E82 WeakPolarHBondContact O-CG 3.29Å; D78-E82 PolarHBondContact O-N 2.88Å; D78-R209 IonicContact OD1-CZ 3.82Å; D78-R209 IonicContact OD1-NE 4Å; D78-R209 PolarHBondContact OD1-NE 3.11Å; D78-R209 IonicContact OD1-NH2 3.43Å; D78-R209 PolarHBondContact OD1-NH2 3.14Å
79	I	88.8	Confident	88	Confident	75 Å²	75	72.1 Å²	72.1	39%	0.385	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-39.8	176.5	-64.6	168.3	0	0	0	111.3	D75 E77 N83	D75-I79 WeakPolarHBondContact O-CG1 3.43Å; D75-I79 PolarHBondContact O-N 2.96Å; E77-I79 VanDerWaalsContact C-N 3.31Å; E77-I79 PolarHBondContact O-N 2.98Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.46Å; I79-N83 WeakPolarHBondContact O-CB 3.39Å; I79-N83 PolarHBondContact O-N 3.22Å; I79-N83 VanDerWaalsContact O-N 3.13Å; I79-N83 PolarHBondContact O-ND2 3.24Å
80	L	89.8	Confident	88.3	Confident	113 Å²	113	69.8 Å²	69.8	59%	0.592	37%	0.374	S	S	*	.	H	α-helix	trans	-67.5	-42.4	178.4	-178.7	62.2	0	0	0	111.2	P76 E77 D78 N83 T84	P76-L80 WeakPolarHBondContact O-CB 3.48Å; P76-L80 PolarHBondContact O-N 3.34Å; P76-L80 VanDerWaalsContact O-N 3.1Å; E77-L80 PolarHBondContact O-N 3.13Å; E77-L80 VanDerWaalsContact O-N 3.12Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.11Å; L80-N83 PolarHBondContact O-N 3.37Å; L80-T84 HydrophobicContact CD1-CG2 4.16Å; L80-T84 WeakPolarHBondContact O-CG2 3.32Å; L80-T84 PolarHBondContact O-N 2.89Å; L80-T84 PolarHBondContact O-OG1 3.48Å
81	E	88.6	Confident	88.5	Confident	95 Å²	95	70.6 Å²	70.6	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-58.5	-48.8	174.4	-71.5	-178.2	-170.4	0	0	110.7	E77 D78 N83 T84 D85 R209	E77-E81 WeakPolarHBondContact O-CG 3.34Å; E77-E81 PolarHBondContact O-N 2.93Å; D78-E81 PolarHBondContact O-N 3.27Å; E81-N83 VanDerWaalsContact C-N 3.26Å; E81-N83 PolarHBondContact O-N 2.79Å; E81-T84 PolarHBondContact O-N 2.83Å; E81-T84 PolarHBondContact O-OG1 3.13Å; E81-D85 PolarHBondContact O-N 2.76Å; E81-R209 IonicContact OE1-NH1 3.7Å; E81-R209 PolarHBondContact OE1-NH1 3.36Å
82	E	88.2	Confident	88.8	Confident	61 Å²	61	75.1 Å²	75.1	29%	0.285	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-25.5	179.6	-74	-171.7	174.1	0	0	114.2	D78 H212 R216	D78-E82 WeakPolarHBondContact O-CG 3.29Å; D78-E82 PolarHBondContact O-N 2.88Å; E82-H212 IonicContact OE1-CE1 2.65Å; E82-H212 IonicContact OE1-CG 3.19Å; E82-H212 IonicContact OE1-ND1 3.94Å; E82-H212 PolarHBondContact OE1-ND1 3.16Å; E82-R216 PolarHBondContact O-NH2 3.31Å; E82-R216 IonicContact OE2-NH1 2.97Å
83	N	88.9	Confident	88.9	Confident	88 Å²	88	75.8 Å²	75.8	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-87.8	-16.2	178.6	-78.1	-52.2	0	0	0	113.8	I79 L80 E81 A88	I79-N83 WeakPolarHBondContact CG2-ND2 3.46Å; I79-N83 WeakPolarHBondContact O-CB 3.39Å; I79-N83 PolarHBondContact O-N 3.22Å; I79-N83 VanDerWaalsContact O-N 3.13Å; I79-N83 PolarHBondContact O-ND2 3.24Å; L80-N83 PolarHBondContact O-N 3.37Å; E81-N83 VanDerWaalsContact C-N 3.26Å; E81-N83 PolarHBondContact O-N 2.79Å; N83-A88 WeakPolarHBondContact O-CB 3.41Å
84	T	90.1	Very high	89.2	Confident	104 Å²	104	74.6 Å²	74.6	64%	0.638	40%	0.402	S	S	*	.	H	α-helix	trans	-109.4	-10	-176	52.4	0	0	0	0	113.2	L80 E81	L80-T84 HydrophobicContact CD1-CG2 4.16Å; L80-T84 WeakPolarHBondContact O-CG2 3.32Å; L80-T84 PolarHBondContact O-N 2.89Å; L80-T84 PolarHBondContact O-OG1 3.48Å; E81-T84 PolarHBondContact O-N 2.83Å; E81-T84 PolarHBondContact O-OG1 3.13Å
85	D	89.9	Confident	89.3	Confident	34 Å²	34	69.4 Å²	69.4	18%	0.182	38%	0.378	C	S	.	.	S	Bend	trans	-64.4	169.2	179.2	77.1	-2.8	0	0	0	114.1	E81 F87 A88 R216	E81-D85 PolarHBondContact O-N 2.76Å; D85-F87 PolarHBondContact O-N 2.52Å; D85-F87 VanDerWaalsContact O-N 3.13Å; D85-F87 PolarHBondContact OD1-N 3.02Å; D85-F87 VanDerWaalsContact OD1-N 3.16Å; D85-F87 WeakPolarHBondContact OD2-CD2 3.4Å; D85-A88 WeakPolarHBondContact O-CB 3.48Å; D85-A88 PolarHBondContact O-N 3.45Å; D85-A88 WeakPolarHBondContact OD1-CA 3.44Å; D85-A88 PolarHBondContact OD1-N 2.85Å; D85-R216 IonicContact OD1-CZ 3.66Å; D85-R216 IonicContact OD1-NE 3.87Å; D85-R216 IonicContact OD1-NH2 3.76Å; D85-R216 PolarHBondContact OD1-NH2 3.04Å; D85-R216 IonicContact OD2-CZ 2.78Å; D85-R216 IonicContact OD2-NE 2.79Å; D85-R216 PolarHBondContact OD2-NE 3.01Å; D85-R216 IonicContact OD2-NH2 3.17Å; D85-R216 PolarHBondContact OD2-NH2 3.01Å
86	E	89.9	Confident	89.3	Confident	105 Å²	105	78.1 Å²	78.1	49%	0.491	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.9	-179	-56.5	88.8	163.5	0	0	112.4
87	F	91.7	Very high	89.5	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-11.9	-178.8	-51.4	-61	0	0	0	113.5	D85 S89 Y90 F91 H167 P172 T213 R216 M217 C220	D85-F87 PolarHBondContact O-N 2.52Å; D85-F87 VanDerWaalsContact O-N 3.13Å; D85-F87 PolarHBondContact OD1-N 3.02Å; D85-F87 VanDerWaalsContact OD1-N 3.16Å; D85-F87 WeakPolarHBondContact OD2-CD2 3.4Å; F87-S89 PolarHBondContact O-N 2.95Å; F87-S89 VanDerWaalsContact O-N 3.13Å; F87-Y90 WeakPolarHBondContact O-CA 3.38Å; F87-Y90 WeakPolarHBondContact O-CB 3.43Å; F87-Y90 PolarHBondContact O-N 2.95Å; F87-F91 HydrophobicContact CB-CD2 4.09Å; F87-F91 HydrophobicContact CB-CE2 3.95Å; F87-F91 WeakPolarHBondContact O-CD2 3.37Å; F87-F91 PolarHBondContact O-N 3.22Å; F87-H167 AromaticContact CD1-CD2 3.94Å; F87-H167 AromaticContact CD1-CE1 3.93Å; F87-H167 AromaticContact CD1-NE2 3.87Å; F87-H167 HydrophobicContact CE1-CB 3.93Å; F87-H167 AromaticContact CE1-CD2 3.79Å; F87-H167 AromaticContact CE1-CG 3.58Å; F87-H167 AromaticContact CE1-ND1 3.84Å; F87-P172 HydrophobicContact CE1-CG 4.3Å; F87-P172 HydrophobicContact CE2-CG 4.04Å; F87-P172 HydrophobicContact CZ-CG 3.44Å; F87-P172 VanDerWaalsContact CZ-CG 3.44Å; F87-T213 HydrophobicContact CE2-CG2 4.2Å; F87-R216 HydrophobicContact CD2-CB 3.91Å; F87-R216 HydrophobicContact CE2-CB 4.41Å; F87-R216 HydrophobicContact CG-CB 4.38Å; F87-M217 HydrophobicContact CE1-CB 4.17Å; F87-M217 HydrophobicContact CE1-CG 4.12Å; F87-M217 HydrophobicContact CE2-CB 4.31Å; F87-M217 HydrophobicContact CZ-CB 3.66Å; F87-M217 HydrophobicContact CZ-CG 3.81Å; F87-C220 HydrophobicContact CD1-CB 4.35Å; F87-C220 WeakPolarHBondContact CD1-SG 3.44Å
88	A	90.7	Very high	89.7	Confident	8 Å²	8	72.3 Å²	72.3	7%	0.066	37%	0.371	C	S	.	.	H	α-helix	trans	-55.8	-38.2	-172.4	0	0	0	0	0	112.1	N83 D85 Y90 F91 Q92	N83-A88 WeakPolarHBondContact O-CB 3.41Å; D85-A88 WeakPolarHBondContact O-CB 3.48Å; D85-A88 PolarHBondContact O-N 3.45Å; D85-A88 WeakPolarHBondContact OD1-CA 3.44Å; D85-A88 PolarHBondContact OD1-N 2.85Å; A88-Y90 PolarHBondContact O-N 2.91Å; A88-F91 PolarHBondContact O-N 2.78Å; A88-Q92 WeakPolarHBondContact O-CB 3.38Å; A88-Q92 VanDerWaalsContact O-CG 3.23Å; A88-Q92 WeakPolarHBondContact O-CG 3.49Å; A88-Q92 PolarHBondContact O-N 3.11Å
89	S	89.8	Confident	90.1	Very high	52 Å²	52	72 Å²	72	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-58.2	-34.3	176.5	71.1	0	0	0	0	113.5	F87 A94 S95	F87-S89 PolarHBondContact O-N 2.95Å; F87-S89 VanDerWaalsContact O-N 3.13Å; S89-A94 WeakPolarHBondContact O-CB 3.22Å; S89-A94 PolarHBondContact O-N 2.81Å; S89-S95 PolarHBondContact O-N 2.88Å; S89-S95 PolarHBondContact OG-OG 3.27Å
90	Y	91.3	Very high	90.5	Very high	13 Å²	13	68.6 Å²	68.6	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-73.9	-46.7	176.9	165.7	-91.4	0	0	0	110.3	F87 A88 Q92 L93 S95 P97 A219 C220 F222 Q224	F87-Y90 WeakPolarHBondContact O-CA 3.38Å; F87-Y90 WeakPolarHBondContact O-CB 3.43Å; F87-Y90 PolarHBondContact O-N 2.95Å; A88-Y90 PolarHBondContact O-N 2.91Å; Y90-Q92 VanDerWaalsContact C-N 3.28Å; Y90-Q92 PolarHBondContact O-N 3.48Å; Y90-L93 WeakPolarHBondContact O-CA 3.06Å; Y90-L93 PolarHBondContact O-N 2.84Å; Y90-S95 WeakPolarHBondContact CA-OG 3.34Å; Y90-S95 PolarHBondContact N-OG 3.31Å; Y90-P97 HydrophobicContact CE2-CB 4.22Å; Y90-P97 HydrophobicContact CE2-CG 4.28Å; Y90-A219 HydrophobicContact CE1-CB 4.32Å; Y90-A219 PolarHBondContact OH-O 3.49Å; Y90-C220 HydrophobicContact CD1-CB 4.31Å; Y90-C220 WeakPolarHBondContact CD1-SG 3.38Å; Y90-C220 HydrophobicContact CG-CB 4.32Å; Y90-F222 VanDerWaalsContact CE2-O 3.31Å; Y90-F222 WeakPolarHBondContact CE2-O 3.28Å; Y90-F222 VanDerWaalsContact CZ-O 3.27Å; Y90-F222 PolarHBondContact OH-O 3.27Å; Y90-Q224 VanDerWaalsContact CD1-NE2 3.33Å; Y90-Q224 HydrophobicContact CE1-CG 3.96Å; Y90-Q224 HydrophobicContact CE2-CG 4.18Å; Y90-Q224 PolarHBondContact O-NE2 2.79Å; Y90-Q224 WeakPolarHBondContact OH-CG 3.44Å
91	F	90.7	Very high	90.8	Very high	75 Å²	75	63.3 Å²	63.3	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-27.3	178.3	-72.3	-77.5	0	0	0	113.8	F87 A88 L93 R216 A219	F87-F91 HydrophobicContact CB-CD2 4.09Å; F87-F91 HydrophobicContact CB-CE2 3.95Å; F87-F91 WeakPolarHBondContact O-CD2 3.37Å; F87-F91 PolarHBondContact O-N 3.22Å; A88-F91 PolarHBondContact O-N 2.78Å; F91-L93 PolarHBondContact O-N 2.96Å; F91-R216 HydrophobicContact CE2-CB 3.81Å; F91-R216 HydrophobicContact CE2-CG 3.8Å; F91-R216 VanDerWaalsContact CE2-CZ 3.46Å; F91-R216 HydrophobicContact CZ-CB 4.02Å; F91-R216 HydrophobicContact CZ-CG 3.81Å; F91-A219 HydrophobicContact CE1-CB 4.21Å; F91-A219 HydrophobicContact CZ-CB 3.72Å
92	Q	90	Very high	91.1	Very high	123 Å²	123	58.8 Å²	58.8	58%	0.575	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	6	171.1	-67.6	169.6	5.4	0	0	113.4	A88 Y90 A94	A88-Q92 WeakPolarHBondContact O-CB 3.38Å; A88-Q92 VanDerWaalsContact O-CG 3.23Å; A88-Q92 WeakPolarHBondContact O-CG 3.49Å; A88-Q92 PolarHBondContact O-N 3.11Å; Y90-Q92 VanDerWaalsContact C-N 3.28Å; Y90-Q92 PolarHBondContact O-N 3.48Å; Q92-A94 PolarHBondContact O-N 2.87Å; Q92-A94 VanDerWaalsContact O-N 3.14Å
93	L	88.2	Confident	91.5	Very high	130 Å²	130	56 Å²	56	68%	0.681	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	16.9	-178.2	-64.2	166.3	0	0	0	114.6	Y90 F91 Q224	Y90-L93 WeakPolarHBondContact O-CA 3.06Å; Y90-L93 PolarHBondContact O-N 2.84Å; F91-L93 PolarHBondContact O-N 2.96Å; L93-Q224 HydrophobicContact CD2-CB 3.98Å; L93-Q224 HydrophobicContact CD2-CG 4.33Å
94	A	87.7	Confident	91.6	Very high	84 Å²	84	52.5 Å²	52.5	69%	0.694	27%	0.273	S	S	*	.	S	Bend	trans	-78.6	-32.3	179.4	0	0	0	0	0	112.1	S89 Q92	S89-A94 WeakPolarHBondContact O-CB 3.22Å; S89-A94 PolarHBondContact O-N 2.81Å; Q92-A94 PolarHBondContact O-N 2.87Å; Q92-A94 VanDerWaalsContact O-N 3.14Å
95	S	85.7	Confident	91.6	Very high	36 Å²	36	50.6 Å²	50.6	25%	0.252	26%	0.262	S	S	.	.	S	Bend	trans	-114.9	143.2	178.5	67.3	0	0	0	0	111.9	S89 Y90	S89-S95 PolarHBondContact O-N 2.88Å; S89-S95 PolarHBondContact OG-OG 3.27Å; Y90-S95 WeakPolarHBondContact CA-OG 3.34Å; Y90-S95 PolarHBondContact N-OG 3.31Å
96	R	89.5	Confident	91.5	Very high	226 Å²	226	58 Å²	58	85%	0.853	29%	0.293	S	S	*	.			trans	-99	139.9	172.7	-71.2	-173.3	179.3	-175.7	1.5	109.7	K98 T148	R96-K98 PolarHBondContact O-N 3.28Å; R96-T148 WeakPolarHBondContact O-CG2 3.36Å
97	P	92.8	Very high	91.6	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.065	28%	0.275	C	S	.	.			trans	-65.9	128.7	-178.4	31.5	-38.2	0	0	0	110	Y90 E124 C220 P223	Y90-P97 HydrophobicContact CE2-CB 4.22Å; Y90-P97 HydrophobicContact CE2-CG 4.28Å; P97-E124 WeakPolarHBondContact O-CB 3.48Å; P97-C220 WeakPolarHBondContact CB-O 3.49Å; P97-P223 HydrophobicContact CG-CB 3.99Å
98	K	94.5	Very high	91.7	Very high	80 Å²	80	58.9 Å²	58.9	35%	0.348	30%	0.298	S	S	.	.			trans	-135.9	103.1	176.6	-168	-173.5	178.5	-178.8	0	108.1	R96 E145 F147 T148 D149	R96-K98 PolarHBondContact O-N 3.28Å; K98-E145 PolarHBondContact NZ-O 3.41Å; K98-F147 HydrophobicContact CB-CD1 4.35Å; K98-F147 HydrophobicContact CD-CD1 3.98Å; K98-F147 HydrophobicContact CD-CE1 4.13Å; K98-F147 HydrophobicContact CD-CG 4.36Å; K98-F147 HydrophobicContact CG-CD1 3.63Å; K98-F147 HydrophobicContact CG-CE1 3.83Å; K98-F147 HydrophobicContact CG-CG 4.39Å; K98-F147 WeakPolarHBondContact O-CD1 3.47Å; K98-T148 HydrophobicContact CB-CG2 4.48Å; K98-T148 PolarHBondContact N-OG1 2.82Å; K98-T148 PolarHBondContact O-N 3.19Å; K98-T148 PolarHBondContact O-OG1 3.38Å; K98-D149 PolarHBondContact O-N 2.85Å
99	V	96	Very high	91.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.9	-168.8	-174.3	0	0	0	0	110.5	L101 I122 A125 K126 D149 L151 L221	V99-L101 HydrophobicContact CG1-CD2 3.86Å; V99-I122 HydrophobicContact CB-CG2 4.33Å; V99-I122 HydrophobicContact CG2-CG2 4.03Å; V99-A125 HydrophobicContact CB-CB 4.4Å; V99-A125 CarbonylContact O-C 3.59Å; V99-A125 WeakPolarHBondContact O-CA 3.46Å; V99-K126 PolarHBondContact O-N 2.81Å; V99-D149 WeakPolarHBondContact CA-O 3.38Å; V99-D149 HydrophobicContact CG1-CB 4.35Å; V99-D149 HydrophobicContact CG2-CB 4.27Å; V99-L151 HydrophobicContact CG1-CB 4.48Å; V99-L221 HydrophobicContact CG1-CD2 4.08Å; V99-L221 HydrophobicContact CG2-CB 4.45Å; V99-L221 HydrophobicContact CG2-CD2 3.74Å
100	L	96.6	Very high	91.9	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.1	171	-179.4	56.4	0	0	0	109.8	I128 L138 A142 F147 D149 L150 L151	L100-I128 HydrophobicContact CD1-CB 3.98Å; L100-I128 HydrophobicContact CD1-CD1 3.5Å; L100-I128 HydrophobicContact CD1-CG1 3.59Å; L100-L138 HydrophobicContact CD2-CD1 4.26Å; L100-L138 HydrophobicContact CD2-CG 4.47Å; L100-A142 HydrophobicContact CD2-CB 3.87Å; L100-F147 HydrophobicContact CB-CD1 3.66Å; L100-F147 HydrophobicContact CB-CD2 4.44Å; L100-F147 HydrophobicContact CB-CE1 3.92Å; L100-F147 HydrophobicContact CB-CG 3.97Å; L100-F147 HydrophobicContact CB-CZ 4.4Å; L100-F147 HydrophobicContact CD1-CE1 4.41Å; L100-F147 HydrophobicContact CD1-CZ 4.29Å; L100-F147 HydrophobicContact CD2-CD2 4.49Å; L100-F147 HydrophobicContact CD2-CE2 4.48Å; L100-D149 PolarHBondContact N-O 2.85Å; L100-L150 HydrophobicContact CB-CD1 3.99Å; L100-L150 HydrophobicContact CD2-CD1 3.83Å; L100-L150 HydrophobicContact CG-CD1 3.79Å; L100-L151 PolarHBondContact O-N 3.18Å
101	L	96.5	Very high	92.1	Very high	2 Å²	2	65 Å²	65	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.7	174.7	-58.5	-176.5	0	0	0	110.4	V99 L118 Q119 A125 K126 M127 I128 L151	V99-L101 HydrophobicContact CG1-CD2 3.86Å; L101-L118 HydrophobicContact CD1-CB 4.11Å; L101-Q119 HydrophobicContact CD1-CB 3.9Å; L101-A125 HydrophobicContact CD1-CB 3.61Å; L101-A125 HydrophobicContact CG-CB 3.83Å; L101-K126 PolarHBondContact N-O 2.91Å; L101-M127 HydrophobicContact CB-CB 4.43Å; L101-M127 HydrophobicContact CB-CG 4.49Å; L101-M127 CarbonylContact O-C 3.6Å; L101-M127 WeakPolarHBondContact O-CA 3.36Å; L101-I128 PolarHBondContact O-N 3Å; L101-L151 HydrophobicContact CD2-CB 3.37Å; L101-L151 HydrophobicContact CD2-CD2 3.41Å; L101-L151 VanDerWaalsContact CD2-CD2 3.41Å; L101-L151 HydrophobicContact CD2-CG 4Å
102	T	95.4	Very high	92.3	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.4	173.2	-159.8	0	0	0	0	111.9	I128 L138 L150 L151 I152 V153	T102-I128 WeakPolarHBondContact CA-O 3.41Å; T102-I128 WeakPolarHBondContact CB-O 3.43Å; T102-I128 PolarHBondContact OG1-O 2.86Å; T102-L138 HydrophobicContact CG2-CD2 3.76Å; T102-L150 HydrophobicContact CG2-CD1 4.23Å; T102-L151 PolarHBondContact N-O 3.27Å; T102-I152 HydrophobicContact CG2-CB 4.16Å; T102-I152 HydrophobicContact CG2-CG1 3.79Å; T102-I152 HydrophobicContact CG2-CG2 4.05Å; T102-I152 WeakPolarHBondContact O-CA 3.46Å; T102-V153 PolarHBondContact O-N 3.13Å
103	T	94.9	Very high	92.5	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	172.9	177.9	63.6	0	0	0	0	111.3	A107 W112 C115 R130 V153	T103-A107 HydrophobicContact CG2-CB 4.06Å; T103-A107 WeakPolarHBondContact OG1-CB 3.31Å; T103-W112 HydrophobicContact CG2-CD2 4.32Å; T103-W112 HydrophobicContact CG2-CZ2 4.36Å; T103-C115 WeakPolarHBondContact CG2-SG 3.49Å; T103-R130 WeakPolarHBondContact O-CB 3.43Å; T103-R130 WeakPolarHBondContact O-CD 3.47Å; T103-V153 CarbonylContact C-O 3.53Å; T103-V153 WeakPolarHBondContact CA-O 3.38Å
104	S	91.8	Very high	92.8	Very high	14 Å²	14	56.1 Å²	56.1	10%	0.098	28%	0.278	C	S	.	.			trans	-58.8	158.2	160	61.1	0	0	0	0	111.7	A107 V153	S104-A107 WeakPolarHBondContact O-CB 3.35Å; S104-A107 PolarHBondContact O-N 3.17Å; S104-V153 PolarHBondContact N-O 3.17Å
105	P	90.5	Very high	93.1	Very high	64 Å²	64	52.2 Å²	52.2	42%	0.416	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	141	172.8	-15.4	27.8	0	0	0	110.3	A107 R130	P105-A107 PolarHBondContact O-N 2.74Å; P105-R130 VanDerWaalsContact CD-NH1 3.34Å
106	K	87.9	Confident	93.5	Very high	190 Å²	190	57 Å²	57	83%	0.826	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	24.8	178.1	-54.2	178.5	178.4	176.8	0	115.1
107	A	91.6	Very high	93.7	Very high	15 Å²	15	47.9 Å²	47.9	12%	0.124	23%	0.226	C	C	.	.			trans	-54.3	142.3	176.1	0	0	0	0	0	112.8	T103 S104 P105 W112 E155	T103-A107 HydrophobicContact CG2-CB 4.06Å; T103-A107 WeakPolarHBondContact OG1-CB 3.31Å; S104-A107 WeakPolarHBondContact O-CB 3.35Å; S104-A107 PolarHBondContact O-N 3.17Å; P105-A107 PolarHBondContact O-N 2.74Å; A107-W112 PolarHBondContact O-NE1 3.21Å; A107-E155 WeakPolarHBondContact CA-OE2 3.38Å
108	K	93	Very high	93.7	Very high	109 Å²	109	48.3 Å²	48.3	47%	0.474	23%	0.227	S	C	.	.			trans	-90.6	176	-177.9	-60.9	-63.2	178.4	-174.8	0	111.6	L110 S111 W112 E155 R158	K108-L110 VanDerWaalsContact C-N 3.26Å; K108-L110 PolarHBondContact O-N 2.85Å; K108-S111 PolarHBondContact O-N 2.84Å; K108-W112 PolarHBondContact O-N 2.85Å; K108-E155 WeakPolarHBondContact CB-OE1 3.35Å; K108-E155 WeakPolarHBondContact CG-OE1 3.34Å; K108-E155 PolarHBondContact N-OE2 3.13Å; K108-R158 HydrophobicContact CG-CB 4.27Å; K108-R158 HydrophobicContact CG-CG 4.17Å
109	L	92.9	Very high	93.6	Very high	147 Å²	147	47.6 Å²	47.6	77%	0.77	23%	0.225	S	C	*	.	H	α-helix	trans	-54.7	-38	-172.8	-175.4	63.9	0	0	0	113.5	W112 K113	L109-W112 PolarHBondContact O-N 3.16Å; L109-K113 WeakPolarHBondContact O-CB 3.34Å; L109-K113 PolarHBondContact O-N 3.02Å
110	L	93.6	Very high	93.4	Very high	53 Å²	53	50.2 Å²	50.2	28%	0.277	24%	0.235	S	C	.	.	H	α-helix	trans	-68.2	-39.6	-178	-68.9	177	0	0	0	112.9	K108 K113 L114 Q159 F183	K108-L110 VanDerWaalsContact C-N 3.26Å; K108-L110 PolarHBondContact O-N 2.85Å; L110-K113 WeakPolarHBondContact O-CB 3.45Å; L110-K113 PolarHBondContact O-N 2.95Å; L110-L114 PolarHBondContact O-N 2.99Å; L110-Q159 VanDerWaalsContact CD1-NE2 3.28Å; L110-Q159 VanDerWaalsContact CD1-OE1 3.31Å; L110-F183 HydrophobicContact CD2-CE2 4.22Å
111	S	93.9	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-41.2	175.3	-57.3	0	0	0	0	111.2	K108 K113 L114 C115 E155	K108-S111 PolarHBondContact O-N 2.84Å; S111-K113 VanDerWaalsContact C-N 3.34Å; S111-K113 PolarHBondContact O-N 3.34Å; S111-L114 WeakPolarHBondContact O-CB 3.36Å; S111-L114 PolarHBondContact O-N 3.33Å; S111-C115 PolarHBondContact O-N 2.78Å; S111-C115 PolarHBondContact O-SG 3.2Å; S111-C115 VanDerWaalsContact O-SG 3.41Å; S111-E155 VanDerWaalsContact CB-OE2 3.28Å; S111-E155 WeakPolarHBondContact CB-OE2 3.4Å; S111-E155 WeakPolarHBondContact OG-CB 3.14Å; S111-E155 WeakPolarHBondContact OG-CG 3.3Å; S111-E155 PolarHBondContact OG-OE2 3.15Å
112	W	94.6	Very high	92.9	Very high	67 Å²	67	50.6 Å²	50.6	25%	0.254	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-39.7	171.9	-79.6	106.5	0	0	0	112.8	T103 A107 K108 L109 L114 C115 Y116 M127 S129	T103-W112 HydrophobicContact CG2-CD2 4.32Å; T103-W112 HydrophobicContact CG2-CZ2 4.36Å; A107-W112 PolarHBondContact O-NE1 3.21Å; K108-W112 PolarHBondContact O-N 2.85Å; L109-W112 PolarHBondContact O-N 3.16Å; W112-L114 VanDerWaalsContact C-N 3.29Å; W112-L114 PolarHBondContact O-N 3.39Å; W112-C115 PolarHBondContact O-N 2.73Å; W112-Y116 PolarHBondContact O-N 3.29Å; W112-M127 HydrophobicContact CE3-CE 4.04Å; W112-M127 HydrophobicContact CE3-SD 3.71Å; W112-M127 HydrophobicContact CZ3-CE 3.79Å; W112-M127 HydrophobicContact CZ3-CG 3.81Å; W112-M127 HydrophobicContact CZ3-SD 3.56Å; W112-M127 VanDerWaalsContact CZ3-SD 3.56Å; W112-S129 VanDerWaalsContact CH2-CA 3.5Å
113	K	94.1	Very high	92.6	Very high	65 Å²	65	52.6 Å²	52.6	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-40.2	174	-172.6	-176.9	179.2	-171.4	0	110.9	L109 L110 S111 Y116 Q117 F183 S185	L109-K113 WeakPolarHBondContact O-CB 3.34Å; L109-K113 PolarHBondContact O-N 3.02Å; L110-K113 WeakPolarHBondContact O-CB 3.45Å; L110-K113 PolarHBondContact O-N 2.95Å; S111-K113 VanDerWaalsContact C-N 3.34Å; S111-K113 PolarHBondContact O-N 3.34Å; K113-Y116 PolarHBondContact O-N 2.93Å; K113-Q117 WeakPolarHBondContact O-CG 3.41Å; K113-Q117 PolarHBondContact O-N 3.25Å; K113-Q117 VanDerWaalsContact O-N 3.11Å; K113-F183 HydrophobicContact CB-CE1 4.25Å; K113-F183 HydrophobicContact CB-CZ 4.47Å; K113-F183 HydrophobicContact CD-CD1 4.03Å; K113-F183 HydrophobicContact CD-CD2 4.21Å; K113-F183 HydrophobicContact CD-CE1 4.1Å; K113-F183 HydrophobicContact CD-CE2 4.27Å; K113-F183 HydrophobicContact CD-CG 4.07Å; K113-F183 HydrophobicContact CD-CZ 4.21Å; K113-F183 HydrophobicContact CG-CD1 4.03Å; K113-F183 HydrophobicContact CG-CE1 3.95Å; K113-F183 HydrophobicContact CG-CZ 4.4Å; K113-S185 PolarHBondContact NZ-OG 2.98Å
114	L	94.9	Very high	92.3	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-47.8	174	179.4	59	0	0	0	111.8	L110 S111 W112 Y116 Q117 L118 V153 P160 L178 L181 F183	L110-L114 PolarHBondContact O-N 2.99Å; S111-L114 WeakPolarHBondContact O-CB 3.36Å; S111-L114 PolarHBondContact O-N 3.33Å; W112-L114 VanDerWaalsContact C-N 3.29Å; W112-L114 PolarHBondContact O-N 3.39Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.13Å; L114-Q117 PolarHBondContact O-N 2.97Å; L114-L118 HydrophobicContact CD1-CD1 4.28Å; L114-L118 HydrophobicContact CD1-CG 4.21Å; L114-L118 HydrophobicContact CG-CD1 4.01Å; L114-L118 HydrophobicContact CG-CG 4.4Å; L114-L118 WeakPolarHBondContact O-CG 3.12Å; L114-L118 PolarHBondContact O-N 2.65Å; L114-V153 HydrophobicContact CD2-CG1 3.95Å; L114-P160 HydrophobicContact CD2-CB 3.66Å; L114-P160 HydrophobicContact CD2-CG 3.99Å; L114-L178 HydrophobicContact CD2-CD1 3.69Å; L114-L181 HydrophobicContact CD1-CD1 3.81Å; L114-L181 HydrophobicContact CD1-CD2 4.3Å; L114-L181 HydrophobicContact CD2-CD2 4.16Å; L114-F183 HydrophobicContact CB-CE1 4.05Å; L114-F183 HydrophobicContact CB-CZ 4.42Å; L114-F183 HydrophobicContact CD1-CE1 4.45Å
115	C	95.2	Very high	92.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-40.6	175.9	-68.1	0	0	0	0	112.3	T103 S111 W112 Q117 L118 Q119 M127 V153	T103-C115 WeakPolarHBondContact CG2-SG 3.49Å; S111-C115 PolarHBondContact O-N 2.78Å; S111-C115 PolarHBondContact O-SG 3.2Å; S111-C115 VanDerWaalsContact O-SG 3.41Å; W112-C115 PolarHBondContact O-N 2.73Å; C115-Q117 PolarHBondContact O-N 2.79Å; C115-L118 PolarHBondContact O-N 3.18Å; C115-Q119 WeakPolarHBondContact O-CB 3.23Å; C115-Q119 PolarHBondContact O-N 3.07Å; C115-M127 HydrophobicContact CB-CG 4.3Å; C115-M127 HydrophobicContact CB-SD 3.57Å; C115-M127 VanDerWaalsContact CB-SD 3.57Å; C115-V153 VanDerWaalsContact SG-CG2 3.56Å
116	Y	93.4	Very high	92.6	Very high	138 Å²	138	59 Å²	59	54%	0.541	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-39.9	175.3	-175.9	-95.1	0	0	0	112.3	W112 K113 L114 R120	W112-Y116 PolarHBondContact O-N 3.29Å; K113-Y116 PolarHBondContact O-N 2.93Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.13Å; Y116-R120 PolarHBondContact O-N 2.82Å
117	Q	92.6	Very high	93	Very high	34 Å²	34	52.9 Å²	52.9	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-42.8	173.9	-63.3	-47.7	-45.9	0	0	111.7	K113 L114 C115 Q119 R120 C121 F183 P184	K113-Q117 WeakPolarHBondContact O-CG 3.41Å; K113-Q117 PolarHBondContact O-N 3.25Å; K113-Q117 VanDerWaalsContact O-N 3.11Å; L114-Q117 PolarHBondContact O-N 2.97Å; C115-Q117 PolarHBondContact O-N 2.79Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.28Å; Q117-R120 CarbonylContact O-C 3.54Å; Q117-R120 WeakPolarHBondContact O-CA 3.35Å; Q117-R120 VanDerWaalsContact O-CB 3.29Å; Q117-R120 WeakPolarHBondContact O-CB 3.21Å; Q117-R120 PolarHBondContact O-N 2.86Å; Q117-C121 PolarHBondContact O-N 3.19Å; Q117-C121 PolarHBondContact O-SG 3.36Å; Q117-F183 HydrophobicContact CG-CD1 4.19Å; Q117-P184 HydrophobicContact CG-CG 4.46Å
118	L	93.8	Very high	93.1	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-40.9	177.4	-70.4	170.7	0	0	0	112	L101 L114 C115 R120 C121 I122 L151 V153 I163	L101-L118 HydrophobicContact CD1-CB 4.11Å; L114-L118 HydrophobicContact CD1-CD1 4.28Å; L114-L118 HydrophobicContact CD1-CG 4.21Å; L114-L118 HydrophobicContact CG-CD1 4.01Å; L114-L118 HydrophobicContact CG-CG 4.4Å; L114-L118 WeakPolarHBondContact O-CG 3.12Å; L114-L118 PolarHBondContact O-N 2.65Å; C115-L118 PolarHBondContact O-N 3.18Å; L118-R120 VanDerWaalsContact C-N 3.27Å; L118-R120 PolarHBondContact O-N 3.41Å; L118-C121 CarbonylContact O-C 3.55Å; L118-C121 WeakPolarHBondContact O-CA 3.35Å; L118-C121 WeakPolarHBondContact O-CB 3.42Å; L118-C121 PolarHBondContact O-N 2.82Å; L118-I122 PolarHBondContact O-N 3.31Å; L118-L151 HydrophobicContact CD1-CD2 3.76Å; L118-V153 HydrophobicContact CD1-CG2 4.05Å; L118-I163 HydrophobicContact CD1-CD1 4.12Å
119	Q	93	Very high	93	Very high	65 Å²	65	52.2 Å²	52.2	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-37.9	172.3	-172.3	176	28.2	0	0	111.4	L101 C115 Q117 C121 A125	L101-Q119 HydrophobicContact CD1-CB 3.9Å; C115-Q119 WeakPolarHBondContact O-CB 3.23Å; C115-Q119 PolarHBondContact O-N 3.07Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.28Å; Q119-C121 VanDerWaalsContact C-N 3.26Å; Q119-C121 PolarHBondContact O-N 2.89Å; Q119-A125 HydrophobicContact CG-CB 4.31Å; Q119-A125 WeakPolarHBondContact CG-O 3.42Å; Q119-A125 PolarHBondContact NE2-O 3.32Å
120	R	90.1	Very high	92.8	Very high	55 Å²	55	46.7 Å²	46.7	21%	0.208	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-32	173.7	-144.9	-174.6	102.3	-168.7	13.5	112	Y116 Q117 L118 V195 R232	Y116-R120 PolarHBondContact O-N 2.82Å; Q117-R120 CarbonylContact O-C 3.54Å; Q117-R120 WeakPolarHBondContact O-CA 3.35Å; Q117-R120 VanDerWaalsContact O-CB 3.29Å; Q117-R120 WeakPolarHBondContact O-CB 3.21Å; Q117-R120 PolarHBondContact O-N 2.86Å; L118-R120 VanDerWaalsContact C-N 3.27Å; L118-R120 PolarHBondContact O-N 3.41Å; R120-V195 HydrophobicContact CG-CG2 4.15Å; R120-R232 PolarHBondContact O-NH2 3.03Å
121	C	91.3	Very high	92.5	Very high	8 Å²	8	52 Å²	52	5%	0.054	24%	0.242	C	C	.	.	H	α-helix	trans	-78.2	-33	178.3	-64	0	0	0	0	113.5	Q117 L118 Q119 F222 R232 F245 H247	Q117-C121 PolarHBondContact O-N 3.19Å; Q117-C121 PolarHBondContact O-SG 3.36Å; L118-C121 CarbonylContact O-C 3.55Å; L118-C121 WeakPolarHBondContact O-CA 3.35Å; L118-C121 WeakPolarHBondContact O-CB 3.42Å; L118-C121 PolarHBondContact O-N 2.82Å; Q119-C121 VanDerWaalsContact C-N 3.26Å; Q119-C121 PolarHBondContact O-N 2.89Å; C121-F222 WeakPolarHBondContact O-CE1 3.46Å; C121-R232 VanDerWaalsContact CA-NH2 3.31Å; C121-R232 PolarHBondContact O-NH2 3.46Å; C121-F245 HydrophobicContact CB-CZ 4.29Å; C121-H247 PolarHBondContact SG-ND1 3.29Å
122	I	93.2	Very high	92.3	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	-110.1	107.5	-175.6	-61	168.1	0	0	0	108.8	V99 L118 E124 A125 L221 F222	V99-I122 HydrophobicContact CB-CG2 4.33Å; V99-I122 HydrophobicContact CG2-CG2 4.03Å; L118-I122 PolarHBondContact O-N 3.31Å; I122-E124 VanDerWaalsContact C-N 3.32Å; I122-E124 PolarHBondContact O-N 3.15Å; I122-A125 HydrophobicContact CB-CB 3.79Å; I122-A125 HydrophobicContact CG2-CB 3.75Å; I122-A125 WeakPolarHBondContact O-CB 3.41Å; I122-A125 PolarHBondContact O-N 3.06Å; I122-L221 VanDerWaalsContact CG2-O 3.29Å; I122-L221 WeakPolarHBondContact CG2-O 3.45Å; I122-F222 HydrophobicContact CG1-CE1 3.84Å; I122-F222 HydrophobicContact CG1-CZ 3.98Å
123	P	88.2	Confident	92.2	Very high	43 Å²	43	57.5 Å²	57.5	28%	0.279	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.6	-171.7	-26.8	34	0	0	0	115.1	N198 P199 P223	P123-N198 WeakPolarHBondContact CG-OD1 3.28Å; P123-P199 HydrophobicContact CG-CG 4.44Å; P123-P223 HydrophobicContact CG-CG 4.26Å
124	E	88.4	Confident	92.1	Very high	112 Å²	112	57.7 Å²	57.7	52%	0.523	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	18.7	-173.9	-62.7	-61.3	151.6	0	0	113.2	P97 I122	P97-E124 WeakPolarHBondContact O-CB 3.48Å; I122-E124 VanDerWaalsContact C-N 3.32Å; I122-E124 PolarHBondContact O-N 3.15Å
125	A	94	Very high	92	Very high	8 Å²	8	60 Å²	60	7%	0.066	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.5	-178.6	0	0	0	0	0	112.7	V99 L101 Q119 I122	V99-A125 HydrophobicContact CB-CB 4.4Å; V99-A125 CarbonylContact O-C 3.59Å; V99-A125 WeakPolarHBondContact O-CA 3.46Å; L101-A125 HydrophobicContact CD1-CB 3.61Å; L101-A125 HydrophobicContact CG-CB 3.83Å; Q119-A125 HydrophobicContact CG-CB 4.31Å; Q119-A125 WeakPolarHBondContact CG-O 3.42Å; Q119-A125 PolarHBondContact NE2-O 3.32Å; I122-A125 HydrophobicContact CB-CB 3.79Å; I122-A125 HydrophobicContact CG2-CB 3.75Å; I122-A125 WeakPolarHBondContact O-CB 3.41Å; I122-A125 PolarHBondContact O-N 3.06Å
126	K	95.2	Very high	92	Very high	95 Å²	95	68.2 Å²	68.2	41%	0.413	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.3	170.6	-169.7	-175.2	-176.9	-179.6	0	109.7	V99 L101 I128 E145 F147	V99-K126 PolarHBondContact O-N 2.81Å; L101-K126 PolarHBondContact N-O 2.91Å; K126-I128 HydrophobicContact CD-CD1 4.21Å; K126-I128 HydrophobicContact CD-CG1 4.48Å; K126-I128 HydrophobicContact CG-CG1 4.35Å; K126-E145 IonicContact NZ-OE2 3.14Å; K126-E145 PolarHBondContact NZ-OE2 3.09Å; K126-F147 HydrophobicContact CB-CE1 4.14Å; K126-F147 HydrophobicContact CB-CZ 4.41Å; K126-F147 HydrophobicContact CD-CE1 4.35Å; K126-F147 HydrophobicContact CD-CZ 3.81Å
127	M	94.9	Very high	92.1	Very high	61 Å²	61	68.2 Å²	68.2	30%	0.3	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.6	177.5	-170.8	-179.7	64.7	0	0	111.4	L101 W112 C115	L101-M127 HydrophobicContact CB-CB 4.43Å; L101-M127 HydrophobicContact CB-CG 4.49Å; L101-M127 CarbonylContact O-C 3.6Å; L101-M127 WeakPolarHBondContact O-CA 3.36Å; W112-M127 HydrophobicContact CE3-CE 4.04Å; W112-M127 HydrophobicContact CE3-SD 3.71Å; W112-M127 HydrophobicContact CZ3-CE 3.79Å; W112-M127 HydrophobicContact CZ3-CG 3.81Å; W112-M127 HydrophobicContact CZ3-SD 3.56Å; W112-M127 VanDerWaalsContact CZ3-SD 3.56Å; C115-M127 HydrophobicContact CB-CG 4.3Å; C115-M127 HydrophobicContact CB-SD 3.57Å; C115-M127 VanDerWaalsContact CB-SD 3.57Å
128	I	93.8	Very high	92.1	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.277	34%	0.341	S	S	.	.			trans	-129.2	136.5	178	-60.2	-172.3	0	0	0	111	L100 L101 T102 K126	L100-I128 HydrophobicContact CD1-CB 3.98Å; L100-I128 HydrophobicContact CD1-CD1 3.5Å; L100-I128 HydrophobicContact CD1-CG1 3.59Å; L101-I128 PolarHBondContact O-N 3Å; T102-I128 WeakPolarHBondContact CA-O 3.41Å; T102-I128 WeakPolarHBondContact CB-O 3.43Å; T102-I128 PolarHBondContact OG1-O 2.86Å; K126-I128 HydrophobicContact CD-CD1 4.21Å; K126-I128 HydrophobicContact CD-CG1 4.48Å; K126-I128 HydrophobicContact CG-CG1 4.35Å
129	S	92.5	Very high	92.2	Very high	55 Å²	55	68.6 Å²	68.6	39%	0.385	35%	0.348	S	S	.	.			trans	-76	125	172.8	-174.5	0	0	0	0	111.9	W112 K131	W112-S129 VanDerWaalsContact CH2-CA 3.5Å; S129-K131 PolarHBondContact O-N 2.81Å
130	R	88.5	Confident	92.3	Very high	32 Å²	32	68.9 Å²	68.9	12%	0.121	35%	0.354	C	S	.	.			trans	-63	-29.8	178.8	-152.6	-163.2	-133.1	-154.6	6.9	112.9	T103 P105 S132 V133	T103-R130 WeakPolarHBondContact O-CB 3.43Å; T103-R130 WeakPolarHBondContact O-CD 3.47Å; P105-R130 VanDerWaalsContact CD-NH1 3.34Å; R130-S132 PolarHBondContact O-N 3.23Å; R130-S132 VanDerWaalsContact O-N 3.12Å; R130-V133 WeakPolarHBondContact O-CB 3.41Å; R130-V133 PolarHBondContact O-N 3.37Å
131	K	87.2	Confident	92.5	Very high	165 Å²	165	69.4 Å²	69.4	72%	0.717	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	-117.6	-171.7	-61.2	-179.4	-179.9	178.3	0	110.8	S129	S129-K131 PolarHBondContact O-N 2.81Å
132	S	88.5	Confident	92.7	Very high	119 Å²	119	69.1 Å²	69.1	83%	0.832	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	19.8	174.9	-165.7	0	0	0	0	112.6	R130	R130-S132 PolarHBondContact O-N 3.23Å; R130-S132 VanDerWaalsContact O-N 3.12Å
133	V	92.5	Very high	92.8	Very high	63 Å²	63	72.6 Å²	72.6	38%	0.382	38%	0.379	S	S	.	.			trans	-75.4	128	179.8	-178.2	0	0	0	0	109.2	R130 K137	R130-V133 WeakPolarHBondContact O-CB 3.41Å; R130-V133 PolarHBondContact O-N 3.37Å; V133-K137 HydrophobicContact CG1-CB 4.05Å
134	P	93.5	Very high	93.2	Very high	68 Å²	68	76.5 Å²	76.5	44%	0.442	40%	0.397	S	S	.	.			trans	-67.8	144.7	176	28.2	-34.3	0	0	0	110.5	K136 K137 L138	P134-K136 VanDerWaalsContact C-N 3.25Å; P134-K136 PolarHBondContact O-N 2.76Å; P134-K137 HydrophobicContact CG-CB 4.01Å; P134-K137 HydrophobicContact CG-CD 3.72Å; P134-K137 HydrophobicContact CG-CG 3.76Å; P134-K137 PolarHBondContact O-N 3.1Å; P134-L138 PolarHBondContact O-N 2.96Å
135	L	93	Very high	93.5	Very high	60 Å²	60	75.3 Å²	75.3	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-56.6	-38.2	-175.5	-179	55.8	0	0	0	112.8	K137 L138 I139 L150 I152	L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 3.12Å; L135-L138 HydrophobicContact CD1-CD2 4.23Å; L135-L138 WeakPolarHBondContact O-CB 3.46Å; L135-L138 PolarHBondContact O-N 3.38Å; L135-L138 VanDerWaalsContact O-N 3.11Å; L135-I139 HydrophobicContact CD1-CD1 4.14Å; L135-I139 HydrophobicContact CD1-CG1 4.16Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 HydrophobicContact CG-CG1 4.4Å; L135-I139 WeakPolarHBondContact O-CG1 3.2Å; L135-I139 PolarHBondContact O-N 2.95Å; L135-L150 HydrophobicContact CD1-CD2 4.28Å; L135-I152 HydrophobicContact CD1-CD1 3.51Å; L135-I152 HydrophobicContact CD2-CD1 4.18Å
136	K	94.3	Very high	93.5	Very high	173 Å²	173	79.4 Å²	79.4	75%	0.752	42%	0.42	S	S	*	.	H	α-helix	trans	-56.1	-46.4	176.6	-173.3	175.6	-178.6	176.8	0	112.2	P134 L138 I139 T140	P134-K136 VanDerWaalsContact C-N 3.25Å; P134-K136 PolarHBondContact O-N 2.76Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-I139 PolarHBondContact O-N 3.47Å; K136-T140 PolarHBondContact O-N 3.27Å; K136-T140 PolarHBondContact O-OG1 2.92Å; K136-T140 VanDerWaalsContact O-OG1 3.06Å
137	K	94.9	Very high	93.5	Very high	138 Å²	138	75.2 Å²	75.2	60%	0.6	40%	0.402	S	S	*	.	H	α-helix	trans	-65.5	-39.5	177.1	-72.4	-173.6	-179	-175.2	0	111.3	V133 P134 L135 I139 T140 C141	V133-K137 HydrophobicContact CG1-CB 4.05Å; P134-K137 HydrophobicContact CG-CB 4.01Å; P134-K137 HydrophobicContact CG-CD 3.72Å; P134-K137 HydrophobicContact CG-CG 3.76Å; P134-K137 PolarHBondContact O-N 3.1Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 3.12Å; K137-I139 PolarHBondContact O-N 3.46Å; K137-T140 PolarHBondContact O-N 2.92Å; K137-C141 PolarHBondContact O-N 2.83Å; K137-C141 PolarHBondContact O-SG 3.45Å
138	L	94.2	Very high	93.4	Very high	14 Å²	14	73.4 Å²	73.4	7%	0.073	39%	0.394	C	S	.	.	H	α-helix	trans	-60.9	-44.6	177.2	-173.4	72.2	0	0	0	111.6	L100 T102 P134 L135 K136 C141 A142 L150	L100-L138 HydrophobicContact CD2-CD1 4.26Å; L100-L138 HydrophobicContact CD2-CG 4.47Å; T102-L138 HydrophobicContact CG2-CD2 3.76Å; P134-L138 PolarHBondContact O-N 2.96Å; L135-L138 HydrophobicContact CD1-CD2 4.23Å; L135-L138 WeakPolarHBondContact O-CB 3.46Å; L135-L138 PolarHBondContact O-N 3.38Å; L135-L138 VanDerWaalsContact O-N 3.11Å; K136-L138 VanDerWaalsContact C-N 3.34Å; L138-C141 PolarHBondContact O-N 3.21Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.4Å; L138-L150 HydrophobicContact CD2-CD1 4.15Å
139	I	94.7	Very high	93.5	Very high	47 Å²	47	70.8 Å²	70.8	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-44.7	177.1	-66.4	167	0	0	0	110.5	L135 K136 K137 C141 A142 K143 L150 L168	L135-I139 HydrophobicContact CD1-CD1 4.14Å; L135-I139 HydrophobicContact CD1-CG1 4.16Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 HydrophobicContact CG-CG1 4.4Å; L135-I139 WeakPolarHBondContact O-CG1 3.2Å; L135-I139 PolarHBondContact O-N 2.95Å; K136-I139 PolarHBondContact O-N 3.47Å; K137-I139 PolarHBondContact O-N 3.46Å; I139-C141 VanDerWaalsContact C-N 3.34Å; I139-C141 PolarHBondContact O-N 2.88Å; I139-A142 PolarHBondContact O-N 3.12Å; I139-A142 VanDerWaalsContact O-N 3.16Å; I139-K143 HydrophobicContact CG2-CD 4.46Å; I139-K143 HydrophobicContact CG2-CG 4.45Å; I139-K143 WeakPolarHBondContact O-CG 3.25Å; I139-K143 PolarHBondContact O-N 3.5Å; I139-L150 HydrophobicContact CG1-CD2 3.81Å; I139-L168 HydrophobicContact CG2-CD2 3.95Å
140	T	95.4	Very high	93.7	Very high	70 Å²	70	68.2 Å²	68.2	43%	0.429	36%	0.362	S	S	.	.	H	α-helix	trans	-58.5	-45.3	175.2	-55.1	0	0	0	0	111.7	K136 K137 A142 K143 N144	K136-T140 PolarHBondContact O-N 3.27Å; K136-T140 PolarHBondContact O-OG1 2.92Å; K136-T140 VanDerWaalsContact O-OG1 3.06Å; K137-T140 PolarHBondContact O-N 2.92Å; T140-A142 VanDerWaalsContact C-N 3.34Å; T140-A142 PolarHBondContact O-N 3.47Å; T140-K143 PolarHBondContact O-N 3.19Å; T140-N144 PolarHBondContact O-N 2.99Å; T140-N144 PolarHBondContact O-OD1 3.06Å
141	C	94.9	Very high	94.1	Very high	67 Å²	67	67.1 Å²	67.1	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-41.1	175.1	-68.1	0	0	0	0	112.1	K137 L138 I139 N144 E145	K137-C141 PolarHBondContact O-N 2.83Å; K137-C141 PolarHBondContact O-SG 3.45Å; L138-C141 PolarHBondContact O-N 3.21Å; I139-C141 VanDerWaalsContact C-N 3.34Å; I139-C141 PolarHBondContact O-N 2.88Å; C141-N144 PolarHBondContact O-N 3.3Å; C141-E145 PolarHBondContact O-N 3.35Å
142	A	95.3	Very high	94.5	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-42.4	179	0	0	0	0	0	112	L100 L138 I139 T140 E145 S146 F147 L168	L100-A142 HydrophobicContact CD2-CB 3.87Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.4Å; I139-A142 PolarHBondContact O-N 3.12Å; I139-A142 VanDerWaalsContact O-N 3.16Å; T140-A142 VanDerWaalsContact C-N 3.34Å; T140-A142 PolarHBondContact O-N 3.47Å; A142-E145 PolarHBondContact O-N 3.06Å; A142-S146 PolarHBondContact O-N 3.45Å; A142-F147 HydrophobicContact CB-CB 4.29Å; A142-F147 HydrophobicContact CB-CD2 4.17Å; A142-F147 WeakPolarHBondContact O-CD2 3.42Å; A142-F147 PolarHBondContact O-N 2.8Å; A142-L168 HydrophobicContact CB-CD1 3.58Å
143	K	95.4	Very high	94.9	Very high	79 Å²	79	53.7 Å²	53.7	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-45.3	172.8	-69.9	-171.5	179	-154.7	0	111.3	I139 T140 E145 S146 L168 P169 D170	I139-K143 HydrophobicContact CG2-CD 4.46Å; I139-K143 HydrophobicContact CG2-CG 4.45Å; I139-K143 WeakPolarHBondContact O-CG 3.25Å; I139-K143 PolarHBondContact O-N 3.5Å; T140-K143 PolarHBondContact O-N 3.19Å; K143-E145 VanDerWaalsContact C-N 3.33Å; K143-E145 PolarHBondContact O-N 3.34Å; K143-S146 PolarHBondContact O-N 3.33Å; K143-L168 HydrophobicContact CG-CD2 4.33Å; K143-P169 HydrophobicContact CD-CB 4.24Å; K143-P169 WeakPolarHBondContact CE-O 3.47Å; K143-P169 HydrophobicContact CG-CB 4.4Å; K143-P169 PolarHBondContact NZ-O 3Å; K143-D170 IonicContact NZ-OD1 3.3Å; K143-D170 PolarHBondContact NZ-OD1 3.16Å
144	N	95.8	Very high	95	Very high	126 Å²	126	53.9 Å²	53.9	67%	0.674	28%	0.282	S	S	*	.	H	α-helix	trans	-65.1	-33.5	179.4	-68.1	-5.5	0	0	0	113.3	T140 C141 S146	T140-N144 PolarHBondContact O-N 2.99Å; T140-N144 PolarHBondContact O-OD1 3.06Å; C141-N144 PolarHBondContact O-N 3.3Å; N144-S146 VanDerWaalsContact C-N 3.25Å
145	E	94.5	Very high	95	Very high	86 Å²	86	52.6 Å²	52.6	40%	0.402	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	6.8	174.7	-77.3	-171.6	-146	0	0	113.2	K98 K126 C141 A142 K143 F147	K98-E145 PolarHBondContact NZ-O 3.41Å; K126-E145 IonicContact NZ-OE2 3.14Å; K126-E145 PolarHBondContact NZ-OE2 3.09Å; C141-E145 PolarHBondContact O-N 3.35Å; A142-E145 PolarHBondContact O-N 3.06Å; K143-E145 VanDerWaalsContact C-N 3.33Å; K143-E145 PolarHBondContact O-N 3.34Å; E145-F147 VanDerWaalsContact C-N 3.33Å; E145-F147 HydrophobicContact CB-CD2 3.64Å; E145-F147 HydrophobicContact CB-CE2 3.46Å; E145-F147 VanDerWaalsContact CB-CE2 3.46Å; E145-F147 HydrophobicContact CG-CE2 4.25Å; E145-F147 PolarHBondContact O-N 3.22Å; E145-F147 WeakPolarHBondContact OE2-CE2 3.37Å
146	S	93.8	Very high	95	Very high	94 Å²	94	53.7 Å²	53.7	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.8	-179.8	-47	0	0	0	0	113.4	A142 K143 N144	A142-S146 PolarHBondContact O-N 3.45Å; K143-S146 PolarHBondContact O-N 3.33Å; N144-S146 VanDerWaalsContact C-N 3.25Å
147	F	95.3	Very high	94.8	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.035	28%	0.278	C	S	.	.			trans	-71.5	138.9	166.9	-73.6	-86.3	0	0	0	110.2	K98 L100 K126 A142 E145 L168	K98-F147 HydrophobicContact CB-CD1 4.35Å; K98-F147 HydrophobicContact CD-CD1 3.98Å; K98-F147 HydrophobicContact CD-CE1 4.13Å; K98-F147 HydrophobicContact CD-CG 4.36Å; K98-F147 HydrophobicContact CG-CD1 3.63Å; K98-F147 HydrophobicContact CG-CE1 3.83Å; K98-F147 HydrophobicContact CG-CG 4.39Å; K98-F147 WeakPolarHBondContact O-CD1 3.47Å; L100-F147 HydrophobicContact CB-CD1 3.66Å; L100-F147 HydrophobicContact CB-CD2 4.44Å; L100-F147 HydrophobicContact CB-CE1 3.92Å; L100-F147 HydrophobicContact CB-CG 3.97Å; L100-F147 HydrophobicContact CB-CZ 4.4Å; L100-F147 HydrophobicContact CD1-CE1 4.41Å; L100-F147 HydrophobicContact CD1-CZ 4.29Å; L100-F147 HydrophobicContact CD2-CD2 4.49Å; L100-F147 HydrophobicContact CD2-CE2 4.48Å; K126-F147 HydrophobicContact CB-CE1 4.14Å; K126-F147 HydrophobicContact CB-CZ 4.41Å; K126-F147 HydrophobicContact CD-CE1 4.35Å; K126-F147 HydrophobicContact CD-CZ 3.81Å; A142-F147 HydrophobicContact CB-CB 4.29Å; A142-F147 HydrophobicContact CB-CD2 4.17Å; A142-F147 WeakPolarHBondContact O-CD2 3.42Å; A142-F147 PolarHBondContact O-N 2.8Å; E145-F147 VanDerWaalsContact C-N 3.33Å; E145-F147 HydrophobicContact CB-CD2 3.64Å; E145-F147 HydrophobicContact CB-CE2 3.46Å; E145-F147 VanDerWaalsContact CB-CE2 3.46Å; E145-F147 HydrophobicContact CG-CE2 4.25Å; E145-F147 PolarHBondContact O-N 3.22Å; E145-F147 WeakPolarHBondContact OE2-CE2 3.37Å; F147-L168 WeakPolarHBondContact O-CB 3.38Å
148	T	94.4	Very high	94.6	Very high	22 Å²	22	54.4 Å²	54.4	14%	0.135	28%	0.282	C	S	.	.	S	Bend	trans	-81.8	-36.4	175.9	61	0	0	0	0	110.9	R96 K98 H167 L168	R96-T148 WeakPolarHBondContact O-CG2 3.36Å; K98-T148 HydrophobicContact CB-CG2 4.48Å; K98-T148 PolarHBondContact N-OG1 2.82Å; K98-T148 PolarHBondContact O-N 3.19Å; K98-T148 PolarHBondContact O-OG1 3.38Å; T148-H167 PolarHBondContact O-ND1 3.43Å; T148-L168 PolarHBondContact O-N 2.95Å
149	D	95.8	Very high	94.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145	-173.5	-57.4	-82.7	0	0	0	111.6	K98 V99 L100 L165 C166 H167 L221	K98-D149 PolarHBondContact O-N 2.85Å; V99-D149 WeakPolarHBondContact CA-O 3.38Å; V99-D149 HydrophobicContact CG1-CB 4.35Å; V99-D149 HydrophobicContact CG2-CB 4.27Å; L100-D149 PolarHBondContact N-O 2.85Å; D149-L165 HydrophobicContact CB-CD1 4.24Å; D149-C166 CarbonylContact C-O 3.45Å; D149-C166 WeakPolarHBondContact CA-O 3.47Å; D149-H167 IonicContact OD1-CE1 2.79Å; D149-H167 IonicContact OD1-CG 2.8Å; D149-H167 IonicContact OD1-ND1 3.95Å; D149-H167 PolarHBondContact OD1-ND1 2.78Å; D149-H167 IonicContact OD2-ND1 3.81Å; D149-L221 HydrophobicContact CB-CD2 3.67Å
150	L	95.9	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.9	173.2	175	67.5	0	0	0	109.1	L100 T102 L135 L138 I139 I152 C166 L168	L100-L150 HydrophobicContact CB-CD1 3.99Å; L100-L150 HydrophobicContact CD2-CD1 3.83Å; L100-L150 HydrophobicContact CG-CD1 3.79Å; T102-L150 HydrophobicContact CG2-CD1 4.23Å; L135-L150 HydrophobicContact CD1-CD2 4.28Å; L138-L150 HydrophobicContact CD2-CD1 4.15Å; I139-L150 HydrophobicContact CG1-CD2 3.81Å; L150-I152 HydrophobicContact CD1-CG1 4.37Å; L150-I152 HydrophobicContact CD2-CD1 3.97Å; L150-I152 HydrophobicContact CD2-CG1 4.19Å; L150-I152 HydrophobicContact CG-CD1 4.28Å; L150-I152 HydrophobicContact CG-CG1 3.93Å; L150-C166 HydrophobicContact CB-CB 4.25Å; L150-C166 PolarHBondContact N-O 2.69Å; L150-C166 PolarHBondContact O-N 3.31Å; L150-L168 HydrophobicContact CB-CD1 4.16Å
151	L	96.7	Very high	94.5	Very high	10 Å²	10	56.1 Å²	56.1	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.3	173.7	-155.8	83.8	0	0	0	110	V99 L100 L101 T102 L118 I163 V164 L165	V99-L151 HydrophobicContact CG1-CB 4.48Å; L100-L151 PolarHBondContact O-N 3.18Å; L101-L151 HydrophobicContact CD2-CB 3.37Å; L101-L151 HydrophobicContact CD2-CD2 3.41Å; L101-L151 VanDerWaalsContact CD2-CD2 3.41Å; L101-L151 HydrophobicContact CD2-CG 4Å; T102-L151 PolarHBondContact N-O 3.27Å; L118-L151 HydrophobicContact CD1-CD2 3.76Å; L151-I163 HydrophobicContact CD1-CG2 3.49Å; L151-I163 VanDerWaalsContact CD1-CG2 3.49Å; L151-I163 HydrophobicContact CD2-CG2 4.03Å; L151-I163 HydrophobicContact CG-CG2 3.55Å; L151-V164 CarbonylContact C-O 3.57Å; L151-V164 WeakPolarHBondContact CA-O 3.46Å; L151-L165 HydrophobicContact CD1-CB 3.97Å; L151-L165 HydrophobicContact CD1-CD1 3.65Å; L151-L165 HydrophobicContact CD1-CG 4.29Å
152	I	96.1	Very high	94.5	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.6	179.8	-47.6	176	0	0	0	109	T102 L135 L150 H154 I163 V164	T102-I152 HydrophobicContact CG2-CB 4.16Å; T102-I152 HydrophobicContact CG2-CG1 3.79Å; T102-I152 HydrophobicContact CG2-CG2 4.05Å; T102-I152 WeakPolarHBondContact O-CA 3.46Å; L135-I152 HydrophobicContact CD1-CD1 3.51Å; L135-I152 HydrophobicContact CD2-CD1 4.18Å; L150-I152 HydrophobicContact CD1-CG1 4.37Å; L150-I152 HydrophobicContact CD2-CD1 3.97Å; L150-I152 HydrophobicContact CD2-CG1 4.19Å; L150-I152 HydrophobicContact CG-CD1 4.28Å; L150-I152 HydrophobicContact CG-CG1 3.93Å; I152-H154 PolarHBondContact O-N 3.35Å; I152-I163 WeakPolarHBondContact O-CA 3.29Å; I152-V164 HydrophobicContact CB-CB 4.18Å; I152-V164 PolarHBondContact N-O 3.15Å; I152-V164 PolarHBondContact O-N 3.18Å
153	V	96.5	Very high	94.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.1	172.6	179.2	0	0	0	0	109.5	T102 T103 S104 L114 C115 L118 P160 I163	T102-V153 PolarHBondContact O-N 3.13Å; T103-V153 CarbonylContact C-O 3.53Å; T103-V153 WeakPolarHBondContact CA-O 3.38Å; S104-V153 PolarHBondContact N-O 3.17Å; L114-V153 HydrophobicContact CD2-CG1 3.95Å; C115-V153 VanDerWaalsContact SG-CG2 3.56Å; L118-V153 HydrophobicContact CD1-CG2 4.05Å; V153-P160 HydrophobicContact CG1-CB 4.04Å; V153-I163 HydrophobicContact CG2-CG1 4.46Å
154	H	94.9	Very high	94.7	Very high	66 Å²	66	51 Å²	51	31%	0.306	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.4	173.1	-81.3	-96.1	0	0	0	111.3	I152 P160 N161 G162 V164	I152-H154 PolarHBondContact O-N 3.35Å; H154-P160 CarbonylContact O-C 3.49Å; H154-P160 WeakPolarHBondContact O-CA 3.45Å; H154-N161 PolarHBondContact O-N 3.39Å; H154-G162 PolarHBondContact N-O 3.26Å; H154-G162 PolarHBondContact O-N 3.31Å; H154-V164 WeakPolarHBondContact NE2-CG2 3.42Å
155	E	92.8	Very high	94.7	Very high	42 Å²	42	45 Å²	45	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.2	177.4	-174.4	-179.5	126.5	0	0	109.9	A107 K108 S111 R158 Q159	A107-E155 WeakPolarHBondContact CA-OE2 3.38Å; K108-E155 WeakPolarHBondContact CB-OE1 3.35Å; K108-E155 WeakPolarHBondContact CG-OE1 3.34Å; K108-E155 PolarHBondContact N-OE2 3.13Å; S111-E155 VanDerWaalsContact CB-OE2 3.28Å; S111-E155 WeakPolarHBondContact CB-OE2 3.4Å; S111-E155 WeakPolarHBondContact OG-CB 3.14Å; S111-E155 WeakPolarHBondContact OG-CG 3.3Å; S111-E155 PolarHBondContact OG-OE2 3.15Å; E155-R158 VanDerWaalsContact OE1-CA 3.27Å; E155-R158 WeakPolarHBondContact OE1-CA 3.41Å; E155-Q159 CarbonylContact C-O 3.58Å; E155-Q159 WeakPolarHBondContact CA-O 3.38Å; E155-Q159 WeakPolarHBondContact CG-O 3.36Å
156	D	92.6	Very high	94.8	Very high	83 Å²	83	41.6 Å²	41.6	44%	0.444	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.8	169.1	-175.2	16.8	0	0	0	108.9	R158 Q159 N161	D156-R158 VanDerWaalsContact C-N 3.26Å; D156-R158 PolarHBondContact O-N 3.46Å; D156-R158 VanDerWaalsContact O-N 3.11Å; D156-Q159 PolarHBondContact N-O 3.27Å; D156-Q159 PolarHBondContact O-N 3.41Å; D156-N161 HydrophobicContact CB-CB 3.87Å
157	N	91	Very high	94.8	Very high	145 Å²	145	38 Å²	38	78%	0.775	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	43.8	-178.8	-71.9	-29	0	0	0	115.3	Q159	N157-Q159 PolarHBondContact O-N 3.33Å
158	R	90.8	Very high	94.8	Very high	180 Å²	180	38.1 Å²	38.1	68%	0.679	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	12.6	-178.9	-45.8	-179.2	-174.2	179.4	2.2	114.8	K108 E155 D156	K108-R158 HydrophobicContact CG-CB 4.27Å; K108-R158 HydrophobicContact CG-CG 4.17Å; E155-R158 VanDerWaalsContact OE1-CA 3.27Å; E155-R158 WeakPolarHBondContact OE1-CA 3.41Å; D156-R158 VanDerWaalsContact C-N 3.26Å; D156-R158 PolarHBondContact O-N 3.46Å; D156-R158 VanDerWaalsContact O-N 3.11Å
159	Q	92.4	Very high	94.6	Very high	105 Å²	105	41 Å²	41	49%	0.491	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.4	178.8	-62.9	-65	-20	0	0	110.4	L110 E155 D156 N157 N161	L110-Q159 VanDerWaalsContact CD1-NE2 3.28Å; L110-Q159 VanDerWaalsContact CD1-OE1 3.31Å; E155-Q159 CarbonylContact C-O 3.58Å; E155-Q159 WeakPolarHBondContact CA-O 3.38Å; E155-Q159 WeakPolarHBondContact CG-O 3.36Å; D156-Q159 PolarHBondContact N-O 3.27Å; D156-Q159 PolarHBondContact O-N 3.41Å; N157-Q159 PolarHBondContact O-N 3.33Å; Q159-N161 PolarHBondContact O-N 3.13Å
160	P	94.6	Very high	94.2	Very high	13 Å²	13	47 Å²	47	8%	0.084	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120.6	173	28	-34.1	0	0	0	110	L114 V153 H154 L178 L181	L114-P160 HydrophobicContact CD2-CB 3.66Å; L114-P160 HydrophobicContact CD2-CG 3.99Å; V153-P160 HydrophobicContact CG1-CB 4.04Å; H154-P160 CarbonylContact O-C 3.49Å; H154-P160 WeakPolarHBondContact O-CA 3.45Å; P160-L178 HydrophobicContact CB-CD1 4.19Å; P160-L181 HydrophobicContact CG-CD2 3.41Å; P160-L181 VanDerWaalsContact CG-CD2 3.41Å
161	N	94.8	Very high	94	Very high	50 Å²	50	47.9 Å²	47.9	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-30.9	-174.8	-174.1	1.5	0	0	0	112.2	H154 D156 Q159 L178	H154-N161 PolarHBondContact O-N 3.39Å; D156-N161 HydrophobicContact CB-CB 3.87Å; Q159-N161 PolarHBondContact O-N 3.13Å; N161-L178 WeakPolarHBondContact O-CB 3.43Å; N161-L178 PolarHBondContact O-N 3.29Å
162	G	96	Very high	93.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	164.5	-176.8	0	0	0	0	0	113.3	H154 F176	H154-G162 PolarHBondContact N-O 3.26Å; H154-G162 PolarHBondContact O-N 3.31Å; G162-F176 CarbonylContact C-O 3.47Å; G162-F176 WeakPolarHBondContact CA-O 3.3Å
163	I	96.6	Very high	93.9	Very high	20 Å²	20	53.6 Å²	53.6	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.4	173.1	-60.8	-175.9	0	0	0	107.6	L118 L151 I152 V153 F176 L178	L118-I163 HydrophobicContact CD1-CD1 4.12Å; L151-I163 HydrophobicContact CD1-CG2 3.49Å; L151-I163 VanDerWaalsContact CD1-CG2 3.49Å; L151-I163 HydrophobicContact CD2-CG2 4.03Å; L151-I163 HydrophobicContact CG-CG2 3.55Å; I152-I163 WeakPolarHBondContact O-CA 3.29Å; V153-I163 HydrophobicContact CG2-CG1 4.46Å; I163-F176 PolarHBondContact N-O 3.04Å; I163-F176 PolarHBondContact O-N 3.21Å; I163-L178 HydrophobicContact CD1-CD1 4.01Å; I163-L178 HydrophobicContact CD1-CD2 3.75Å; I163-L178 HydrophobicContact CD1-CG 4.25Å; I163-L178 HydrophobicContact CG1-CD1 3.74Å; I163-L178 HydrophobicContact CG1-CD2 3.93Å; I163-L178 HydrophobicContact CG1-CG 3.93Å
164	V	96.6	Very high	93.9	Very high	20 Å²	20	54.2 Å²	54.2	12%	0.121	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.1	165.8	-179.6	0	0	0	0	107.3	L151 I152 H154 C166 T173 A174 Y175	L151-V164 CarbonylContact C-O 3.57Å; L151-V164 WeakPolarHBondContact CA-O 3.46Å; I152-V164 HydrophobicContact CB-CB 4.18Å; I152-V164 PolarHBondContact N-O 3.15Å; I152-V164 PolarHBondContact O-N 3.18Å; H154-V164 WeakPolarHBondContact NE2-CG2 3.42Å; V164-C166 VanDerWaalsContact CG1-SG 3.58Å; V164-T173 HydrophobicContact CG1-CG2 3.64Å; V164-A174 WeakPolarHBondContact CA-O 3.43Å; V164-Y175 HydrophobicContact CG2-CD2 3.69Å; V164-Y175 HydrophobicContact CG2-CE2 4.4Å
165	L	96.6	Very high	94	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.3	169.2	177.1	56.9	0	0	0	107.9	D149 L151 T173 A174 F176 M217 F218 L221	D149-L165 HydrophobicContact CB-CD1 4.24Å; L151-L165 HydrophobicContact CD1-CB 3.97Å; L151-L165 HydrophobicContact CD1-CD1 3.65Å; L151-L165 HydrophobicContact CD1-CG 4.29Å; L165-T173 CarbonylContact O-C 3.56Å; L165-T173 VanDerWaalsContact O-CA 3.3Å; L165-T173 WeakPolarHBondContact O-CA 3.25Å; L165-A174 PolarHBondContact N-O 3.28Å; L165-A174 PolarHBondContact O-N 3.44Å; L165-F176 HydrophobicContact CB-CE2 4.09Å; L165-F176 HydrophobicContact CD2-CE2 4.4Å; L165-M217 HydrophobicContact CB-CE 3.94Å; L165-M217 HydrophobicContact CD2-CE 3.91Å; L165-M217 HydrophobicContact CD2-CG 3.67Å; L165-M217 HydrophobicContact CD2-SD 3.98Å; L165-M217 HydrophobicContact CG-CE 3.54Å; L165-M217 HydrophobicContact CG-CG 4.25Å; L165-M217 HydrophobicContact CG-SD 4.29Å; L165-M217 WeakPolarHBondContact O-CE 3.05Å; L165-F218 HydrophobicContact CD2-CD1 4.23Å; L165-F218 HydrophobicContact CD2-CE1 4.21Å; L165-L221 HydrophobicContact CD1-CD1 4.27Å; L165-L221 HydrophobicContact CD1-CD2 3.73Å; L165-L221 HydrophobicContact CD1-CG 4.43Å; L165-L221 HydrophobicContact CD2-CD1 4.03Å
166	C	95.8	Very high	94.2	Very high	14 Å²	14	57.5 Å²	57.5	10%	0.095	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.3	175.4	-61.2	0	0	0	0	108.7	D149 L150 V164 T173	D149-C166 CarbonylContact C-O 3.45Å; D149-C166 WeakPolarHBondContact CA-O 3.47Å; L150-C166 HydrophobicContact CB-CB 4.25Å; L150-C166 PolarHBondContact N-O 2.69Å; L150-C166 PolarHBondContact O-N 3.31Å; V164-C166 VanDerWaalsContact CG1-SG 3.58Å; C166-T173 WeakPolarHBondContact SG-CG2 3.41Å; C166-T173 PolarHBondContact SG-OG1 3.13Å
167	H	95.5	Very high	94.4	Very high	17 Å²	17	60.1 Å²	60.1	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.6	168.8	-168.6	67.8	0	0	0	109.7	F87 T148 D149 G171 P172	F87-H167 AromaticContact CD1-CD2 3.94Å; F87-H167 AromaticContact CD1-CE1 3.93Å; F87-H167 AromaticContact CD1-NE2 3.87Å; F87-H167 HydrophobicContact CE1-CB 3.93Å; F87-H167 AromaticContact CE1-CD2 3.79Å; F87-H167 AromaticContact CE1-CG 3.58Å; F87-H167 AromaticContact CE1-ND1 3.84Å; T148-H167 PolarHBondContact O-ND1 3.43Å; D149-H167 IonicContact OD1-CE1 2.79Å; D149-H167 IonicContact OD1-CG 2.8Å; D149-H167 IonicContact OD1-ND1 3.95Å; D149-H167 PolarHBondContact OD1-ND1 2.78Å; D149-H167 IonicContact OD2-ND1 3.81Å; H167-G171 CarbonylContact O-C 3.55Å; H167-G171 WeakPolarHBondContact O-CA 3.39Å; H167-G171 PolarHBondContact O-N 3.16Å; H167-G171 VanDerWaalsContact O-N 3.11Å; H167-P172 PolarHBondContact N-O 3.04Å
168	L	93.6	Very high	94.6	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	150.6	-176.5	-66	177.9	0	0	0	109.6	I139 A142 K143 F147 T148 L150	I139-L168 HydrophobicContact CG2-CD2 3.95Å; A142-L168 HydrophobicContact CB-CD1 3.58Å; K143-L168 HydrophobicContact CG-CD2 4.33Å; F147-L168 WeakPolarHBondContact O-CB 3.38Å; T148-L168 PolarHBondContact O-N 2.95Å; L150-L168 HydrophobicContact CB-CD1 4.16Å
169	P	90.3	Very high	94.8	Very high	82 Å²	82	51.9 Å²	51.9	53%	0.532	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	cis	-77.6	-42.5	5.9	28.2	-33.1	0	0	0	114.1	K143	K143-P169 HydrophobicContact CD-CB 4.24Å; K143-P169 WeakPolarHBondContact CE-O 3.47Å; K143-P169 HydrophobicContact CG-CB 4.4Å; K143-P169 PolarHBondContact NZ-O 3Å
170	D	88.6	Confident	94.8	Very high	127 Å²	127	52.5 Å²	52.5	68%	0.679	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	48.4	-171.5	-58	-44.1	0	0	0	110.6	K143	K143-D170 IonicContact NZ-OD1 3.3Å; K143-D170 PolarHBondContact NZ-OD1 3.16Å
171	G	91.2	Very high	94.7	Very high	18 Å²	18	55.1 Å²	55.1	19%	0.186	30%	0.299	C	S	.	.			trans	-101.3	177.5	179.9	0	0	0	0	0	113.9	H167	H167-G171 CarbonylContact O-C 3.55Å; H167-G171 WeakPolarHBondContact O-CA 3.39Å; H167-G171 PolarHBondContact O-N 3.16Å; H167-G171 VanDerWaalsContact O-N 3.11Å
172	P	95.3	Very high	94.6	Very high	41 Å²	41	60.3 Å²	60.3	27%	0.266	32%	0.32	S	S	.	.			trans	-67.3	157.6	-178.4	28.1	-36.4	0	0	0	112.2	F87 H167 M217	F87-P172 HydrophobicContact CE1-CG 4.3Å; F87-P172 HydrophobicContact CE2-CG 4.04Å; F87-P172 HydrophobicContact CZ-CG 3.44Å; F87-P172 VanDerWaalsContact CZ-CG 3.44Å; H167-P172 PolarHBondContact N-O 3.04Å; P172-M217 WeakPolarHBondContact O-CE 3.15Å
173	T	95.9	Very high	94.5	Very high	90 Å²	90	61 Å²	61	55%	0.552	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	128	172.5	-65.9	0	0	0	0	109.7	V164 L165 C166	V164-T173 HydrophobicContact CG1-CG2 3.64Å; L165-T173 CarbonylContact O-C 3.56Å; L165-T173 VanDerWaalsContact O-CA 3.3Å; L165-T173 WeakPolarHBondContact O-CA 3.25Å; C166-T173 WeakPolarHBondContact SG-CG2 3.41Å; C166-T173 PolarHBondContact SG-OG1 3.13Å
174	A	96.4	Very high	94.1	Very high	14 Å²	14	61.3 Å²	61.3	12%	0.116	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.1	176.9	0	0	0	0	0	110.4	V164 L165 F176 I214 M217	V164-A174 WeakPolarHBondContact CA-O 3.43Å; L165-A174 PolarHBondContact N-O 3.28Å; L165-A174 PolarHBondContact O-N 3.44Å; A174-F176 HydrophobicContact CB-CD2 4.38Å; A174-F176 HydrophobicContact CB-CE1 4.4Å; A174-F176 HydrophobicContact CB-CE2 3.52Å; A174-F176 HydrophobicContact CB-CZ 3.53Å; A174-I214 HydrophobicContact CB-CD1 4.35Å; A174-M217 HydrophobicContact CB-CE 3.81Å; A174-M217 HydrophobicContact CB-SD 3.71Å
175	Y	96.9	Very high	93.7	Very high	133 Å²	133	63.4 Å²	63.4	52%	0.522	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.1	171	175.7	-100.4	0	0	0	109.8	V164 K177	V164-Y175 HydrophobicContact CG2-CD2 3.69Å; V164-Y175 HydrophobicContact CG2-CE2 4.4Å; Y175-K177 HydrophobicContact CE1-CB 4.49Å
176	F	96.5	Very high	93.4	Very high	43 Å²	43	68 Å²	68	19%	0.189	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126	177	-58.4	-77.3	0	0	0	109.7	G162 I163 L165 A174 I214 F218 I243	G162-F176 CarbonylContact C-O 3.47Å; G162-F176 WeakPolarHBondContact CA-O 3.3Å; I163-F176 PolarHBondContact N-O 3.04Å; I163-F176 PolarHBondContact O-N 3.21Å; L165-F176 HydrophobicContact CB-CE2 4.09Å; L165-F176 HydrophobicContact CD2-CE2 4.4Å; A174-F176 HydrophobicContact CB-CD2 4.38Å; A174-F176 HydrophobicContact CB-CE1 4.4Å; A174-F176 HydrophobicContact CB-CE2 3.52Å; A174-F176 HydrophobicContact CB-CZ 3.53Å; F176-I214 HydrophobicContact CE1-CG2 4.36Å; F176-I214 HydrophobicContact CZ-CD1 4.42Å; F176-I214 HydrophobicContact CZ-CG2 4.34Å; F176-F218 HydrophobicContact CD1-CZ 4.3Å; F176-F218 HydrophobicContact CD2-CZ 4.31Å; F176-F218 HydrophobicContact CE1-CE2 4.14Å; F176-F218 AromaticContact CE1-CZ 3.69Å; F176-F218 HydrophobicContact CE1-CZ 3.69Å; F176-F218 HydrophobicContact CE2-CE1 4.01Å; F176-F218 AromaticContact CE2-CZ 3.69Å; F176-F218 HydrophobicContact CE2-CZ 3.69Å; F176-F218 HydrophobicContact CZ-CE1 4.09Å; F176-F218 AromaticContact CZ-CE2 3.92Å; F176-F218 HydrophobicContact CZ-CE2 3.92Å; F176-F218 AromaticContact CZ-CZ 3.34Å; F176-F218 HydrophobicContact CZ-CZ 3.34Å; F176-I243 HydrophobicContact CE1-CD1 4.16Å
177	K	96.5	Very high	93.2	Very high	138 Å²	138	71.7 Å²	71.7	60%	0.6	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	124.2	168.2	-175.2	175.6	-178.6	177.1	0	109.2	Y175	Y175-K177 HydrophobicContact CE1-CB 4.49Å
178	L	95.4	Very high	92.9	Very high	44 Å²	44	80.8 Å²	80.8	23%	0.23	42%	0.423	C	S	.	.			trans	-79.4	133.3	174.9	-65.4	177.4	0	0	0	110.2	L114 P160 N161 I163	L114-L178 HydrophobicContact CD2-CD1 3.69Å; P160-L178 HydrophobicContact CB-CD1 4.19Å; N161-L178 WeakPolarHBondContact O-CB 3.43Å; N161-L178 PolarHBondContact O-N 3.29Å; I163-L178 HydrophobicContact CD1-CD1 4.01Å; I163-L178 HydrophobicContact CD1-CD2 3.75Å; I163-L178 HydrophobicContact CD1-CG 4.25Å; I163-L178 HydrophobicContact CG1-CD1 3.74Å; I163-L178 HydrophobicContact CG1-CD2 3.93Å; I163-L178 HydrophobicContact CG1-CG 3.93Å
179	Q	94	Very high	92.4	Very high	108 Å²	108	84 Å²	84	51%	0.505	46%	0.46	S	S	.	.			trans	-133.4	149.8	171.1	-62.9	-169.7	6	0	0	109.9	L181	Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 3.17Å
180	S	92.6	Very high	92	Very high	118 Å²	118	82.2 Å²	82.2	83%	0.825	45%	0.448	S	S	*	.	S	Bend	trans	54.8	40.8	174.1	-58.1	0	0	0	0	114.8	K182	S180-K182 PolarHBondContact O-N 3.43Å
181	L	93.6	Very high	91.4	Very high	68 Å²	68	83.2 Å²	83.2	36%	0.356	45%	0.446	S	S	.	.			trans	-62.7	125.4	177	-177.8	66.3	0	0	0	110.9	L114 P160 Q179 F183	L114-L181 HydrophobicContact CD1-CD1 3.81Å; L114-L181 HydrophobicContact CD1-CD2 4.3Å; L114-L181 HydrophobicContact CD2-CD2 4.16Å; P160-L181 HydrophobicContact CG-CD2 3.41Å; P160-L181 VanDerWaalsContact CG-CD2 3.41Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 3.17Å; L181-F183 HydrophobicContact CD2-CE1 4.06Å; L181-F183 HydrophobicContact CD2-CE2 4.01Å; L181-F183 HydrophobicContact CD2-CZ 3.54Å; L181-F183 HydrophobicContact CG-CE2 4.43Å; L181-F183 HydrophobicContact CG-CZ 4.24Å
182	K	93.2	Very high	90.5	Very high	160 Å²	160	93.1 Å²	93.1	70%	0.696	48%	0.478	S	S	*	.			trans	-126.2	126.9	172	-68.9	-173	177.8	-178.5	0	109.5	S180	S180-K182 PolarHBondContact O-N 3.43Å
183	F	92.1	Very high	89.3	Confident	13 Å²	13	95.2 Å²	95.2	6%	0.057	49%	0.487	C	S	.	.			trans	-82.9	158	176.1	-64.4	-75	0	0	0	110.9	L110 K113 L114 Q117 L181 S185 D186	L110-F183 HydrophobicContact CD2-CE2 4.22Å; K113-F183 HydrophobicContact CB-CE1 4.25Å; K113-F183 HydrophobicContact CB-CZ 4.47Å; K113-F183 HydrophobicContact CD-CD1 4.03Å; K113-F183 HydrophobicContact CD-CD2 4.21Å; K113-F183 HydrophobicContact CD-CE1 4.1Å; K113-F183 HydrophobicContact CD-CE2 4.27Å; K113-F183 HydrophobicContact CD-CG 4.07Å; K113-F183 HydrophobicContact CD-CZ 4.21Å; K113-F183 HydrophobicContact CG-CD1 4.03Å; K113-F183 HydrophobicContact CG-CE1 3.95Å; K113-F183 HydrophobicContact CG-CZ 4.4Å; L114-F183 HydrophobicContact CB-CE1 4.05Å; L114-F183 HydrophobicContact CB-CZ 4.42Å; L114-F183 HydrophobicContact CD1-CE1 4.45Å; Q117-F183 HydrophobicContact CG-CD1 4.19Å; L181-F183 HydrophobicContact CD2-CE1 4.06Å; L181-F183 HydrophobicContact CD2-CE2 4.01Å; L181-F183 HydrophobicContact CD2-CZ 3.54Å; L181-F183 HydrophobicContact CG-CE2 4.43Å; L181-F183 HydrophobicContact CG-CZ 4.24Å; F183-S185 PolarHBondContact O-N 3.46Å; F183-S185 VanDerWaalsContact O-N 3.11Å; F183-D186 WeakPolarHBondContact CB-OD2 3.43Å; F183-D186 PolarHBondContact N-OD2 3.4Å; F183-D186 VanDerWaalsContact N-OD2 3.15Å; F183-D186 PolarHBondContact O-N 2.89Å
184	P	89.4	Confident	88.2	Confident	28 Å²	28	102.7 Å²	102.7	18%	0.182	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-56.5	-28.5	173.4	-27.6	37.4	0	0	0	113.3	Q117 D186 I187 C190 W249	Q117-P184 HydrophobicContact CG-CG 4.46Å; P184-D186 PolarHBondContact O-N 3.43Å; P184-I187 PolarHBondContact O-N 3.2Å; P184-C190 WeakPolarHBondContact O-CB 3.29Å; P184-W249 HydrophobicContact CB-CH2 4.16Å; P184-W249 HydrophobicContact CB-CZ2 4.35Å; P184-W249 HydrophobicContact CG-CH2 3.93Å
185	S	88.2	Confident	87.2	Confident	64 Å²	64	104.1 Å²	104.1	45%	0.448	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24.9	174.9	54.7	0	0	0	0	114.1	K113 F183	K113-S185 PolarHBondContact NZ-OG 2.98Å; F183-S185 PolarHBondContact O-N 3.46Å; F183-S185 VanDerWaalsContact O-N 3.11Å
186	D	90.8	Very high	86.2	Confident	96 Å²	96	104.8 Å²	104.8	51%	0.513	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-96.4	-8.5	-171	-44.9	-23.3	0	0	0	110.6	F183 P184	F183-D186 WeakPolarHBondContact CB-OD2 3.43Å; F183-D186 PolarHBondContact N-OD2 3.4Å; F183-D186 VanDerWaalsContact N-OD2 3.15Å; F183-D186 PolarHBondContact O-N 2.89Å; P184-D186 PolarHBondContact O-N 3.43Å
187	I	90.1	Very high	85.8	Confident	91 Å²	91	104 Å²	104	47%	0.467	52%	0.522	S	S	.	.	S	Bend	trans	-94.9	114.7	180	-57.7	171.9	0	0	0	108.8	P184 G189 C190	P184-I187 PolarHBondContact O-N 3.2Å; I187-G189 PolarHBondContact O-N 3.07Å; I187-C190 HydrophobicContact CB-CB 4.15Å; I187-C190 HydrophobicContact CG2-CB 4.33Å; I187-C190 VanDerWaalsContact O-CB 3.32Å; I187-C190 WeakPolarHBondContact O-CB 3.48Å; I187-C190 PolarHBondContact O-N 3.47Å
188	K	89.4	Confident	85.5	Confident	209 Å²	209	99 Å²	99	91%	0.909	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	132.9	176.3	-63.8	-176	179.7	-176.9	0	110.4	C190	K188-C190 VanDerWaalsContact C-N 3.32Å
189	G	83.5	Confident	85.4	Confident	80 Å²	80	97 Å²	97	83%	0.825	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	2.4	178.9	0	0	0	0	0	115.1	I187 K191	I187-G189 PolarHBondContact O-N 3.07Å; G189-K191 PolarHBondContact O-N 2.87Å
190	C	82.7	Confident	85.4	Confident	43 Å²	43	95.5 Å²	95.5	29%	0.291	49%	0.485	S	S	.	.			trans	-71.5	112.5	176.4	-170.6	0	0	0	0	110.8	P184 I187 K188 W249	P184-C190 WeakPolarHBondContact O-CB 3.29Å; I187-C190 HydrophobicContact CB-CB 4.15Å; I187-C190 HydrophobicContact CG2-CB 4.33Å; I187-C190 VanDerWaalsContact O-CB 3.32Å; I187-C190 WeakPolarHBondContact O-CB 3.48Å; I187-C190 PolarHBondContact O-N 3.47Å; K188-C190 VanDerWaalsContact C-N 3.32Å; C190-W249 WeakPolarHBondContact SG-CZ2 3.45Å
191	K	76.3	Confident	85.5	Confident	148 Å²	148	92.2 Å²	92.2	64%	0.643	46%	0.458	S	S	*	.			trans	-77	140.2	174	-66.9	-176.4	-179.7	178.9	0	110.6	G189 D193 W249	G189-K191 PolarHBondContact O-N 2.87Å; K191-D193 VanDerWaalsContact CB-OD2 3.28Å; K191-D193 WeakPolarHBondContact CB-OD2 2.95Å; K191-D193 WeakPolarHBondContact CD-OD2 3.43Å; K191-D193 PolarHBondContact O-N 3.49Å; K191-D193 VanDerWaalsContact O-N 3.11Å; K191-W249 PolarHBondContact O-NE1 3.14Å; K191-W249 VanDerWaalsContact O-NE1 3.15Å
192	R	71.9	Confident	85.6	Confident	227 Å²	227	90.7 Å²	90.7	86%	0.857	45%	0.451	S	S	*	.			trans	-85.7	49.5	173.5	-62.4	-176.3	-175.7	171.2	2.4	110.5
193	D	69.3	Low	85.7	Confident	85 Å²	85	85.8 Å²	85.8	46%	0.455	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-69.9	151.2	-179	-67.4	-30.1	0	0	0	110.3	K191 V195	K191-D193 VanDerWaalsContact CB-OD2 3.28Å; K191-D193 WeakPolarHBondContact CB-OD2 2.95Å; K191-D193 WeakPolarHBondContact CD-OD2 3.43Å; K191-D193 PolarHBondContact O-N 3.49Å; K191-D193 VanDerWaalsContact O-N 3.11Å; D193-V195 PolarHBondContact O-N 3.03Å
194	R	72.4	Confident	85.8	Confident	247 Å²	247	88.3 Å²	88.3	93%	0.932	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-65.9	128	175.5	-76.1	-170.5	-110.3	-154.6	-2.5	108.4
195	V	76.7	Confident	85.9	Confident	44 Å²	44	91.5 Å²	91.5	27%	0.267	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-79.8	121.9	173.9	-176	0	0	0	0	107.7	R120 D193 R232	R120-V195 HydrophobicContact CG-CG2 4.15Å; D193-V195 PolarHBondContact O-N 3.03Å; V195-R232 VanDerWaalsContact CG1-CD 3.49Å; V195-R232 HydrophobicContact CG1-CG 4.3Å
196	F	76.3	Confident	86.1	Confident	147 Å²	147	89.3 Å²	89.3	65%	0.645	44%	0.444	S	S	*	.			trans	-121.6	134	178.7	179.1	-98.7	0	0	0	110.4	H227	F196-H227 AromaticContact CE1-CD2 3.82Å; F196-H227 AromaticContact CE1-NE2 3.65Å
197	G	86.7	Confident	86.1	Confident	25 Å²	25	86.7 Å²	86.7	26%	0.258	43%	0.433	S	S	.	.	S	Bend	trans	76.5	173.1	176.8	0	0	0	0	0	115	R232	G197-R232 PolarHBondContact O-NH1 3.2Å
198	N	91.4	Very high	86.1	Confident	34 Å²	34	83.7 Å²	83.7	18%	0.182	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-76.3	137.1	-179.7	-68.4	-16.2	0	0	0	110.7	P123 P223 N225 H227	P123-N198 WeakPolarHBondContact CG-OD1 3.28Å; N198-P223 HydrophobicContact CB-CG 3.82Å; N198-P223 VanDerWaalsContact ND2-CG 3.35Å; N198-P223 WeakPolarHBondContact ND2-CG 3.39Å; N198-N225 WeakPolarHBondContact CB-O 3.45Å; N198-N225 PolarHBondContact ND2-O 2.97Å; N198-N225 PolarHBondContact ND2-OD1 3.18Å; N198-H227 PolarHBondContact O-N 3.13Å
199	P	93.4	Very high	86.1	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.013	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-68.5	148.5	178.7	27.8	-31.1	0	0	0	111.5	P123 F222 R232 V234	P123-P199 HydrophobicContact CG-CG 4.44Å; P199-F222 HydrophobicContact CG-CD1 3.62Å; P199-F222 HydrophobicContact CG-CE1 4.13Å; P199-R232 CarbonylContact C-O 3.59Å; P199-R232 WeakPolarHBondContact CA-O 3.4Å; P199-R232 HydrophobicContact CB-CG 3.87Å; P199-V234 HydrophobicContact CB-CB 4.37Å; P199-V234 HydrophobicContact CB-CG2 3.69Å; P199-V234 HydrophobicContact CG-CG2 4.07Å
200	E	93.2	Very high	86.6	Confident	77 Å²	77	80 Å²	80	36%	0.36	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.9	156.1	-177.3	-178.7	166.3	0	0	109.4	P226 F228 R232 V233 V234	E200-P226 HydrophobicContact CB-CB 4.3Å; E200-F228 HydrophobicContact CG-CE1 4.43Å; E200-R232 PolarHBondContact N-O 2.97Å; E200-V233 HydrophobicContact CB-CG1 4.42Å; E200-V233 HydrophobicContact CB-CG2 4.24Å; E200-V233 CarbonylContact O-C 3.42Å; E200-V233 WeakPolarHBondContact O-CA 3.2Å; E200-V234 PolarHBondContact O-N 3.17Å
201	L	94.7	Very high	87	Confident	49 Å²	49	78.3 Å²	78.3	26%	0.257	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.8	178.1	-177.2	67.1	0	0	0	109.6	L203 A219 F222 V234 F236	L201-L203 HydrophobicContact CD1-CD2 3.96Å; L201-L203 HydrophobicContact CD2-CD1 3.98Å; L201-L203 HydrophobicContact CD2-CD2 4.07Å; L201-L203 HydrophobicContact CD2-CG 4.03Å; L201-L203 HydrophobicContact CG-CD1 4.47Å; L201-L203 HydrophobicContact CG-CD2 3.94Å; L201-L203 HydrophobicContact CG-CG 3.98Å; L201-A219 HydrophobicContact CD2-CB 3.94Å; L201-F222 HydrophobicContact CD1-CD2 3.8Å; L201-F222 HydrophobicContact CD1-CE2 3.94Å; L201-F222 HydrophobicContact CD1-CG 4.42Å; L201-F222 HydrophobicContact CD2-CD2 4.13Å; L201-V234 WeakPolarHBondContact CA-O 3.48Å; L201-V234 HydrophobicContact CD1-CB 4.36Å; L201-V234 HydrophobicContact CD1-CG1 4.19Å; L201-F236 HydrophobicContact CD1-CD2 3.7Å; L201-F236 HydrophobicContact CD1-CE2 3.7Å
202	V	95.4	Very high	87.8	Confident	35 Å²	35	73.9 Å²	73.9	21%	0.212	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.2	176.2	178.4	0	0	0	0	108.5	N204 V233 V234 T235 F236	V202-N204 WeakPolarHBondContact CG1-ND2 3.49Å; V202-N204 WeakPolarHBondContact CG1-OD1 3.46Å; V202-V233 HydrophobicContact CB-CG1 4.47Å; V202-V233 HydrophobicContact CG2-CG1 3.58Å; V202-V234 PolarHBondContact N-O 3.03Å; V202-T235 HydrophobicContact CB-CG2 4.08Å; V202-T235 HydrophobicContact CG1-CG2 3.99Å; V202-T235 CarbonylContact O-C 3.59Å; V202-T235 WeakPolarHBondContact O-CA 3.33Å; V202-F236 PolarHBondContact O-N 2.94Å
203	L	95.7	Very high	88.8	Confident	57 Å²	57	66 Å²	66	30%	0.298	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.5	177	-56.6	177.9	0	0	0	108.4	L201 F206 A215 F218 A219 F236	L201-L203 HydrophobicContact CD1-CD2 3.96Å; L201-L203 HydrophobicContact CD2-CD1 3.98Å; L201-L203 HydrophobicContact CD2-CD2 4.07Å; L201-L203 HydrophobicContact CD2-CG 4.03Å; L201-L203 HydrophobicContact CG-CD1 4.47Å; L201-L203 HydrophobicContact CG-CD2 3.94Å; L201-L203 HydrophobicContact CG-CG 3.98Å; L203-F206 HydrophobicContact CB-CD2 4.09Å; L203-F206 HydrophobicContact CB-CE2 4.3Å; L203-F206 HydrophobicContact CD2-CE2 4.47Å; L203-A215 HydrophobicContact CD1-CB 4.03Å; L203-A215 WeakPolarHBondContact CD1-O 3.45Å; L203-F218 HydrophobicContact CD2-CB 4.5Å; L203-A219 HydrophobicContact CD1-CB 4.13Å; L203-F236 WeakPolarHBondContact CA-O 3.31Å; L203-F236 HydrophobicContact CD2-CB 3.75Å; L203-F236 HydrophobicContact CD2-CD2 3.71Å; L203-F236 HydrophobicContact CD2-CG 4.03Å
204	N	94.4	Very high	90	Very high	66 Å²	66	63.6 Å²	63.6	35%	0.353	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.1	-175.2	-71.4	-21.4	0	0	0	111.3	V202 F206 F236 H237 C238	V202-N204 WeakPolarHBondContact CG1-ND2 3.49Å; V202-N204 WeakPolarHBondContact CG1-OD1 3.46Å; N204-F206 WeakPolarHBondContact O-CD2 3.46Å; N204-F206 PolarHBondContact O-N 3.33Å; N204-F236 PolarHBondContact N-O 3.37Å; N204-H237 HydrophobicContact CB-CB 4.35Å; N204-H237 VanDerWaalsContact CB-ND1 3.3Å; N204-H237 WeakPolarHBondContact CB-ND1 3.5Å; N204-C238 PolarHBondContact O-N 3.13Å
205	N	92	Very high	91.1	Very high	95 Å²	95	52.3 Å²	52.3	51%	0.508	28%	0.279	S	S	.	.	S	Bend	trans	62.4	31.9	173.5	-62.1	-3.9	0	0	0	115.4	S207 H237 C238	N205-S207 PolarHBondContact O-N 2.93Å; N205-H237 PolarHBondContact ND2-CE1 3.48Å; N205-H237 PolarHBondContact ND2-NE2 3Å; N205-C238 HydrophobicContact CB-CB 4.19Å; N205-C238 WeakPolarHBondContact CB-O 3.3Å; N205-C238 PolarHBondContact ND2-O 3.4Å; N205-C238 VanDerWaalsContact ND2-O 3.12Å; N205-C238 WeakPolarHBondContact O-CB 3.49Å
206	F	92.7	Very high	91.9	Very high	18 Å²	18	51.4 Å²	51.4	8%	0.079	27%	0.271	C	S	.	.			trans	-96.9	67.6	170.3	-69	-82.4	0	0	0	109.6	L203 N204 G211 H212 I214 A215 F236 C238 I243	L203-F206 HydrophobicContact CB-CD2 4.09Å; L203-F206 HydrophobicContact CB-CE2 4.3Å; L203-F206 HydrophobicContact CD2-CE2 4.47Å; N204-F206 WeakPolarHBondContact O-CD2 3.46Å; N204-F206 PolarHBondContact O-N 3.33Å; F206-G211 WeakPolarHBondContact CD1-O 3.44Å; F206-H212 PolarHBondContact O-CD2 3.42Å; F206-H212 PolarHBondContact O-NE2 3.38Å; F206-I214 HydrophobicContact CE1-CG2 4.1Å; F206-A215 HydrophobicContact CB-CB 3.73Å; F206-A215 HydrophobicContact CD1-CB 4.11Å; F206-A215 HydrophobicContact CD2-CB 4.05Å; F206-A215 HydrophobicContact CG-CB 3.72Å; F206-F236 HydrophobicContact CE2-CB 3.98Å; F206-F236 HydrophobicContact CZ-CB 4.13Å; F206-C238 HydrophobicContact CD1-CB 4.13Å; F206-C238 HydrophobicContact CD2-CB 4.43Å; F206-C238 HydrophobicContact CE1-CB 3.95Å; F206-C238 HydrophobicContact CE2-CB 4.27Å; F206-C238 HydrophobicContact CG-CB 4.37Å; F206-C238 HydrophobicContact CZ-CB 4.03Å; F206-I243 HydrophobicContact CE1-CD1 3.88Å; F206-I243 HydrophobicContact CE1-CG1 4.25Å; F206-I243 HydrophobicContact CZ-CD1 4.18Å; F206-I243 HydrophobicContact CZ-CG1 4.32Å; F206-I243 HydrophobicContact CZ-CG2 4.03Å
207	S	89.4	Confident	92.8	Very high	41 Å²	41	44.6 Å²	44.6	29%	0.287	24%	0.241	S	C	.	.			trans	-95.3	-18.9	-167.3	55.3	0	0	0	0	115.3	F70 V71 N205	F70-S207 WeakPolarHBondContact CE1-OG 3.44Å; F70-S207 WeakPolarHBondContact CZ-OG 3.36Å; V71-S207 PolarHBondContact N-O 3.33Å; N205-S207 PolarHBondContact O-N 2.93Å
208	T	90.4	Very high	93.2	Very high	29 Å²	29	44.2 Å²	44.2	18%	0.178	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-82.8	159.8	176.4	59.3	0	0	0	0	110.6	T69 F70 L210 G211 H212	T69-T208 CarbonylContact O-C 3.37Å; T69-T208 VanDerWaalsContact O-CA 3.29Å; T69-T208 WeakPolarHBondContact O-CA 3.29Å; F70-T208 HydrophobicContact CD2-CG2 4.13Å; F70-T208 HydrophobicContact CE2-CG2 4.06Å; T208-L210 VanDerWaalsContact C-N 3.31Å; T208-L210 PolarHBondContact O-N 3.49Å; T208-G211 CarbonylContact O-C 3.46Å; T208-G211 VanDerWaalsContact O-CA 3.25Å; T208-G211 WeakPolarHBondContact O-CA 3.45Å; T208-G211 PolarHBondContact O-N 2.87Å; T208-G211 PolarHBondContact OG1-N 2.91Å; T208-G211 VanDerWaalsContact OG1-N 3.16Å; T208-H212 PolarHBondContact O-CD2 2.95Å; T208-H212 PolarHBondContact O-N 3.37Å
209	R	90.4	Very high	93.3	Very high	84 Å²	84	42.9 Å²	42.9	32%	0.317	23%	0.226	S	C	.	.	H	α-helix	trans	-51.1	-48	175.6	-73	-173.5	178.8	-170.2	8.6	112.3	T69 V71 D75 E77 D78 E81 G211 H212 T213	T69-R209 PolarHBondContact O-N 3.35Å; V71-R209 HydrophobicContact CG2-CB 4.32Å; V71-R209 HydrophobicContact CG2-CG 3.73Å; D75-R209 IonicContact OD2-NH2 2.92Å; E77-R209 IonicContact OE2-NH2 3.77Å; D78-R209 IonicContact OD1-CZ 3.82Å; D78-R209 IonicContact OD1-NE 4Å; D78-R209 PolarHBondContact OD1-NE 3.11Å; D78-R209 IonicContact OD1-NH2 3.43Å; D78-R209 PolarHBondContact OD1-NH2 3.14Å; E81-R209 IonicContact OE1-NH1 3.7Å; E81-R209 PolarHBondContact OE1-NH1 3.36Å; R209-G211 VanDerWaalsContact C-N 3.32Å; R209-G211 PolarHBondContact O-N 3.18Å; R209-H212 WeakPolarHBondContact O-CB 3.36Å; R209-H212 PolarHBondContact O-N 2.91Å; R209-T213 PolarHBondContact O-N 2.97Å; R209-T213 PolarHBondContact O-OG1 2.93Å
210	L	92.1	Very high	93.3	Very high	126 Å²	126	42.9 Å²	42.9	66%	0.66	23%	0.226	S	C	*	.	H	α-helix	trans	-61.8	-39.6	173.8	179	64	0	0	0	112.2	T208 H212 T213 I214	T208-L210 VanDerWaalsContact C-N 3.31Å; T208-L210 PolarHBondContact O-N 3.49Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-T213 PolarHBondContact O-N 3.47Å; L210-I214 HydrophobicContact CD1-CG1 4.36Å; L210-I214 WeakPolarHBondContact O-CG1 3.29Å; L210-I214 PolarHBondContact O-N 3.29Å
211	G	92.9	Very high	93.4	Very high	9 Å²	9	39.5 Å²	39.5	9%	0.093	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-46.6	174.8	0	0	0	0	0	111.7	F206 T208 R209 I214 A215	F206-G211 WeakPolarHBondContact CD1-O 3.44Å; T208-G211 CarbonylContact O-C 3.46Å; T208-G211 VanDerWaalsContact O-CA 3.25Å; T208-G211 WeakPolarHBondContact O-CA 3.45Å; T208-G211 PolarHBondContact O-N 2.87Å; T208-G211 PolarHBondContact OG1-N 2.91Å; T208-G211 VanDerWaalsContact OG1-N 3.16Å; R209-G211 VanDerWaalsContact C-N 3.32Å; R209-G211 PolarHBondContact O-N 3.18Å; G211-I214 PolarHBondContact O-N 3.45Å; G211-A215 VanDerWaalsContact O-CB 3.29Å; G211-A215 WeakPolarHBondContact O-CB 3.5Å; G211-A215 PolarHBondContact O-N 2.95Å
212	H	91.9	Very high	93.3	Very high	54 Å²	54	37.4 Å²	37.4	25%	0.25	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-47.9	174.7	-87.2	-117.7	0	0	0	111.4	V71 E82 F206 T208 R209 L210 I214 A215 R216	V71-H212 HydrophobicContact CG2-CB 4.4Å; E82-H212 IonicContact OE1-CE1 2.65Å; E82-H212 IonicContact OE1-CG 3.19Å; E82-H212 IonicContact OE1-ND1 3.94Å; E82-H212 PolarHBondContact OE1-ND1 3.16Å; F206-H212 PolarHBondContact O-CD2 3.42Å; F206-H212 PolarHBondContact O-NE2 3.38Å; T208-H212 PolarHBondContact O-CD2 2.95Å; T208-H212 PolarHBondContact O-N 3.37Å; R209-H212 WeakPolarHBondContact O-CB 3.36Å; R209-H212 PolarHBondContact O-N 2.91Å; L210-H212 VanDerWaalsContact C-N 3.34Å; H212-I214 VanDerWaalsContact C-N 3.34Å; H212-I214 PolarHBondContact O-N 2.87Å; H212-A215 WeakPolarHBondContact O-CB 3.41Å; H212-A215 PolarHBondContact O-N 3.41Å; H212-R216 WeakPolarHBondContact O-CB 3.4Å; H212-R216 VanDerWaalsContact O-CG 3.25Å; H212-R216 WeakPolarHBondContact O-CG 3.43Å; H212-R216 PolarHBondContact O-N 3.03Å
213	T	92.8	Very high	93.2	Very high	62 Å²	62	36.5 Å²	36.5	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-57.4	-45.7	176.8	-46	0	0	0	0	112	F87 R209 L210 R216 M217	F87-T213 HydrophobicContact CE2-CG2 4.2Å; R209-T213 PolarHBondContact O-N 2.97Å; R209-T213 PolarHBondContact O-OG1 2.93Å; L210-T213 PolarHBondContact O-N 3.47Å; T213-R216 PolarHBondContact O-N 3.42Å; T213-M217 WeakPolarHBondContact O-CB 3.19Å; T213-M217 PolarHBondContact O-N 3.31Å
214	I	95.2	Very high	92.8	Very high	34 Å²	34	37.2 Å²	37.2	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-39.1	178.5	-65.4	-64.3	0	0	0	111.5	A174 F176 F206 L210 G211 H212 M217 F218 I243	A174-I214 HydrophobicContact CB-CD1 4.35Å; F176-I214 HydrophobicContact CE1-CG2 4.36Å; F176-I214 HydrophobicContact CZ-CD1 4.42Å; F176-I214 HydrophobicContact CZ-CG2 4.34Å; F206-I214 HydrophobicContact CE1-CG2 4.1Å; L210-I214 HydrophobicContact CD1-CG1 4.36Å; L210-I214 WeakPolarHBondContact O-CG1 3.29Å; L210-I214 PolarHBondContact O-N 3.29Å; G211-I214 PolarHBondContact O-N 3.45Å; H212-I214 VanDerWaalsContact C-N 3.34Å; H212-I214 PolarHBondContact O-N 2.87Å; I214-M217 WeakPolarHBondContact O-CB 3.5Å; I214-M217 PolarHBondContact O-N 3.2Å; I214-F218 HydrophobicContact CG2-CD2 3.83Å; I214-F218 HydrophobicContact CG2-CE2 3.45Å; I214-F218 VanDerWaalsContact CG2-CE2 3.45Å; I214-F218 HydrophobicContact CG2-CZ 4.44Å; I214-F218 WeakPolarHBondContact O-CD2 3.28Å; I214-F218 PolarHBondContact O-N 3.07Å; I214-I243 HydrophobicContact CG2-CD1 3.93Å
215	A	95	Very high	92.6	Very high	11 Å²	11	39.2 Å²	39.2	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-45.2	175.5	0	0	0	0	0	111.1	L203 F206 G211 H212 F218 A219	L203-A215 HydrophobicContact CD1-CB 4.03Å; L203-A215 WeakPolarHBondContact CD1-O 3.45Å; F206-A215 HydrophobicContact CB-CB 3.73Å; F206-A215 HydrophobicContact CD1-CB 4.11Å; F206-A215 HydrophobicContact CD2-CB 4.05Å; F206-A215 HydrophobicContact CG-CB 3.72Å; G211-A215 VanDerWaalsContact O-CB 3.29Å; G211-A215 WeakPolarHBondContact O-CB 3.5Å; G211-A215 PolarHBondContact O-N 2.95Å; H212-A215 WeakPolarHBondContact O-CB 3.41Å; H212-A215 PolarHBondContact O-N 3.41Å; A215-F218 PolarHBondContact O-N 3.36Å; A215-A219 WeakPolarHBondContact O-CB 3.45Å; A215-A219 PolarHBondContact O-N 3.14Å
216	R	93.9	Very high	92.5	Very high	25 Å²	25	36.6 Å²	36.6	9%	0.094	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-42.3	175.9	-71.1	177	66.6	94.7	-4.1	111.9	E82 D85 F87 F91 H212 T213 F218 A219 C220	E82-R216 PolarHBondContact O-NH2 3.31Å; E82-R216 IonicContact OE2-NH1 2.97Å; D85-R216 IonicContact OD1-CZ 3.66Å; D85-R216 IonicContact OD1-NE 3.87Å; D85-R216 IonicContact OD1-NH2 3.76Å; D85-R216 PolarHBondContact OD1-NH2 3.04Å; D85-R216 IonicContact OD2-CZ 2.78Å; D85-R216 IonicContact OD2-NE 2.79Å; D85-R216 PolarHBondContact OD2-NE 3.01Å; D85-R216 IonicContact OD2-NH2 3.17Å; D85-R216 PolarHBondContact OD2-NH2 3.01Å; F87-R216 HydrophobicContact CD2-CB 3.91Å; F87-R216 HydrophobicContact CE2-CB 4.41Å; F87-R216 HydrophobicContact CG-CB 4.38Å; F91-R216 HydrophobicContact CE2-CB 3.81Å; F91-R216 HydrophobicContact CE2-CG 3.8Å; F91-R216 VanDerWaalsContact CE2-CZ 3.46Å; F91-R216 HydrophobicContact CZ-CB 4.02Å; F91-R216 HydrophobicContact CZ-CG 3.81Å; H212-R216 WeakPolarHBondContact O-CB 3.4Å; H212-R216 VanDerWaalsContact O-CG 3.25Å; H212-R216 WeakPolarHBondContact O-CG 3.43Å; H212-R216 PolarHBondContact O-N 3.03Å; T213-R216 PolarHBondContact O-N 3.42Å; R216-F218 VanDerWaalsContact C-N 3.32Å; R216-F218 PolarHBondContact O-N 2.8Å; R216-A219 WeakPolarHBondContact O-CB 3.41Å; R216-A219 PolarHBondContact O-N 2.92Å; R216-A219 VanDerWaalsContact O-N 3.15Å; R216-C220 PolarHBondContact O-N 3.2Å; R216-C220 PolarHBondContact O-SG 3.46Å
217	M	94.5	Very high	92.4	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-41	174	-164.7	-177.7	-170.5	0	0	112.4	F87 L165 P172 A174 T213 I214	F87-M217 HydrophobicContact CE1-CB 4.17Å; F87-M217 HydrophobicContact CE1-CG 4.12Å; F87-M217 HydrophobicContact CE2-CB 4.31Å; F87-M217 HydrophobicContact CZ-CB 3.66Å; F87-M217 HydrophobicContact CZ-CG 3.81Å; L165-M217 HydrophobicContact CB-CE 3.94Å; L165-M217 HydrophobicContact CD2-CE 3.91Å; L165-M217 HydrophobicContact CD2-CG 3.67Å; L165-M217 HydrophobicContact CD2-SD 3.98Å; L165-M217 HydrophobicContact CG-CE 3.54Å; L165-M217 HydrophobicContact CG-CG 4.25Å; L165-M217 HydrophobicContact CG-SD 4.29Å; L165-M217 WeakPolarHBondContact O-CE 3.05Å; P172-M217 WeakPolarHBondContact O-CE 3.15Å; A174-M217 HydrophobicContact CB-CE 3.81Å; A174-M217 HydrophobicContact CB-SD 3.71Å; T213-M217 WeakPolarHBondContact O-CB 3.19Å; T213-M217 PolarHBondContact O-N 3.31Å; I214-M217 WeakPolarHBondContact O-CB 3.5Å; I214-M217 PolarHBondContact O-N 3.2Å
218	F	95.3	Very high	92.3	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-72.6	-35.7	174.1	-73.3	-55.1	0	0	0	113.2	L165 F176 L203 I214 A215 R216 C220 L221 F222 F236 I243	L165-F218 HydrophobicContact CD2-CD1 4.23Å; L165-F218 HydrophobicContact CD2-CE1 4.21Å; F176-F218 HydrophobicContact CD1-CZ 4.3Å; F176-F218 HydrophobicContact CD2-CZ 4.31Å; F176-F218 HydrophobicContact CE1-CE2 4.14Å; F176-F218 AromaticContact CE1-CZ 3.69Å; F176-F218 HydrophobicContact CE1-CZ 3.69Å; F176-F218 HydrophobicContact CE2-CE1 4.01Å; F176-F218 AromaticContact CE2-CZ 3.69Å; F176-F218 HydrophobicContact CE2-CZ 3.69Å; F176-F218 HydrophobicContact CZ-CE1 4.09Å; F176-F218 AromaticContact CZ-CE2 3.92Å; F176-F218 HydrophobicContact CZ-CE2 3.92Å; F176-F218 AromaticContact CZ-CZ 3.34Å; F176-F218 HydrophobicContact CZ-CZ 3.34Å; L203-F218 HydrophobicContact CD2-CB 4.5Å; I214-F218 HydrophobicContact CG2-CD2 3.83Å; I214-F218 HydrophobicContact CG2-CE2 3.45Å; I214-F218 VanDerWaalsContact CG2-CE2 3.45Å; I214-F218 HydrophobicContact CG2-CZ 4.44Å; I214-F218 WeakPolarHBondContact O-CD2 3.28Å; I214-F218 PolarHBondContact O-N 3.07Å; A215-F218 PolarHBondContact O-N 3.36Å; R216-F218 VanDerWaalsContact C-N 3.32Å; R216-F218 PolarHBondContact O-N 2.8Å; F218-C220 VanDerWaalsContact C-N 3.3Å; F218-C220 PolarHBondContact O-N 3.3Å; F218-L221 HydrophobicContact CD1-CD1 4.17Å; F218-L221 WeakPolarHBondContact O-CB 3.28Å; F218-L221 PolarHBondContact O-N 2.99Å; F218-F222 WeakPolarHBondContact O-CD2 3.48Å; F218-F236 HydrophobicContact CB-CE1 4.45Å; F218-F236 HydrophobicContact CB-CE2 4.4Å; F218-F236 HydrophobicContact CB-CZ 4.34Å; F218-F236 HydrophobicContact CD1-CD1 4.23Å; F218-F236 AromaticContact CD1-CE1 3.61Å; F218-F236 HydrophobicContact CD1-CE1 3.61Å; F218-F236 AromaticContact CD1-CZ 3.93Å; F218-F236 HydrophobicContact CD1-CZ 3.93Å; F218-F236 HydrophobicContact CD2-CD1 4.1Å; F218-F236 HydrophobicContact CD2-CE1 4.31Å; F218-F236 HydrophobicContact CE1-CD1 4.42Å; F218-F236 AromaticContact CE1-CE1 3.83Å; F218-F236 HydrophobicContact CE1-CE1 3.83Å; F218-F236 HydrophobicContact CE2-CD1 4.3Å; F218-F236 HydrophobicContact CE2-CE1 4.5Å; F218-F236 HydrophobicContact CG-CD1 4.07Å; F218-F236 AromaticContact CG-CE1 3.87Å; F218-F236 HydrophobicContact CG-CE1 3.87Å; F218-F236 HydrophobicContact CG-CZ 4.19Å; F218-F236 HydrophobicContact CZ-CD1 4.45Å; F218-F236 HydrophobicContact CZ-CE1 4.27Å; F218-I243 HydrophobicContact CE2-CD1 3.71Å; F218-I243 HydrophobicContact CE2-CG2 4.44Å; F218-I243 HydrophobicContact CZ-CD1 4.3Å
219	A	94.4	Very high	92.1	Very high	7 Å²	7	53.7 Å²	53.7	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-43.7	176.9	0	0	0	0	0	111.4	Y90 F91 L201 L203 A215 R216 L221 F222	Y90-A219 HydrophobicContact CE1-CB 4.32Å; Y90-A219 PolarHBondContact OH-O 3.49Å; F91-A219 HydrophobicContact CE1-CB 4.21Å; F91-A219 HydrophobicContact CZ-CB 3.72Å; L201-A219 HydrophobicContact CD2-CB 3.94Å; L203-A219 HydrophobicContact CD1-CB 4.13Å; A215-A219 WeakPolarHBondContact O-CB 3.45Å; A215-A219 PolarHBondContact O-N 3.14Å; R216-A219 WeakPolarHBondContact O-CB 3.41Å; R216-A219 PolarHBondContact O-N 2.92Å; R216-A219 VanDerWaalsContact O-N 3.15Å; A219-L221 PolarHBondContact O-N 3.06Å; A219-F222 PolarHBondContact O-N 2.99Å
220	C	93.6	Very high	91.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.3	179.1	-66.3	0	0	0	0	114.4	F87 Y90 P97 R216 F218	F87-C220 HydrophobicContact CD1-CB 4.35Å; F87-C220 WeakPolarHBondContact CD1-SG 3.44Å; Y90-C220 HydrophobicContact CD1-CB 4.31Å; Y90-C220 WeakPolarHBondContact CD1-SG 3.38Å; Y90-C220 HydrophobicContact CG-CB 4.32Å; P97-C220 WeakPolarHBondContact CB-O 3.49Å; R216-C220 PolarHBondContact O-N 3.2Å; R216-C220 PolarHBondContact O-SG 3.46Å; F218-C220 VanDerWaalsContact C-N 3.3Å; F218-C220 PolarHBondContact O-N 3.3Å
221	L	94.1	Very high	91.4	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.031	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-23	175.8	-62.1	178.3	0	0	0	113.7	V99 I122 D149 L165 F218 A219	V99-L221 HydrophobicContact CG1-CD2 4.08Å; V99-L221 HydrophobicContact CG2-CB 4.45Å; V99-L221 HydrophobicContact CG2-CD2 3.74Å; I122-L221 VanDerWaalsContact CG2-O 3.29Å; I122-L221 WeakPolarHBondContact CG2-O 3.45Å; D149-L221 HydrophobicContact CB-CD2 3.67Å; L165-L221 HydrophobicContact CD1-CD1 4.27Å; L165-L221 HydrophobicContact CD1-CD2 3.73Å; L165-L221 HydrophobicContact CD1-CG 4.43Å; L165-L221 HydrophobicContact CD2-CD1 4.03Å; F218-L221 HydrophobicContact CD1-CD1 4.17Å; F218-L221 WeakPolarHBondContact O-CB 3.28Å; F218-L221 PolarHBondContact O-N 2.99Å; A219-L221 PolarHBondContact O-N 3.06Å
222	F	94.1	Very high	91.3	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	26%	0.258	C	S	.	.	S	Bend	trans	-110.3	152.4	-173.9	-60.7	-85.7	0	0	0	110.7	Y90 C121 I122 P199 L201 F218 A219 V234 F236	Y90-F222 VanDerWaalsContact CE2-O 3.31Å; Y90-F222 WeakPolarHBondContact CE2-O 3.28Å; Y90-F222 VanDerWaalsContact CZ-O 3.27Å; Y90-F222 PolarHBondContact OH-O 3.27Å; C121-F222 WeakPolarHBondContact O-CE1 3.46Å; I122-F222 HydrophobicContact CG1-CE1 3.84Å; I122-F222 HydrophobicContact CG1-CZ 3.98Å; P199-F222 HydrophobicContact CG-CD1 3.62Å; P199-F222 HydrophobicContact CG-CE1 4.13Å; L201-F222 HydrophobicContact CD1-CD2 3.8Å; L201-F222 HydrophobicContact CD1-CE2 3.94Å; L201-F222 HydrophobicContact CD1-CG 4.42Å; L201-F222 HydrophobicContact CD2-CD2 4.13Å; F218-F222 WeakPolarHBondContact O-CD2 3.48Å; A219-F222 PolarHBondContact O-N 2.99Å; F222-V234 HydrophobicContact CE1-CB 4.3Å; F222-V234 HydrophobicContact CE1-CG1 4.13Å; F222-V234 HydrophobicContact CE1-CG2 4Å; F222-V234 HydrophobicContact CE2-CG1 4.35Å; F222-V234 HydrophobicContact CZ-CB 4.37Å; F222-V234 HydrophobicContact CZ-CG1 3.73Å; F222-V234 HydrophobicContact CZ-CG2 4.43Å; F222-F236 AromaticContact CE2-CE2 3.67Å; F222-F236 HydrophobicContact CE2-CE2 3.67Å; F222-F236 HydrophobicContact CE2-CZ 4.01Å; F222-F236 HydrophobicContact CZ-CE2 4.08Å; F222-F236 HydrophobicContact CZ-CZ 4.3Å
223	P	92	Very high	91.3	Very high	16 Å²	16	54 Å²	54	10%	0.104	26%	0.255	C	S	.	.			trans	-79.4	142.3	175.1	33.9	-36.4	0	0	0	111.1	P97 P123 N198 N225	P97-P223 HydrophobicContact CG-CB 3.99Å; P123-P223 HydrophobicContact CG-CG 4.26Å; N198-P223 HydrophobicContact CB-CG 3.82Å; N198-P223 VanDerWaalsContact ND2-CG 3.35Å; N198-P223 WeakPolarHBondContact ND2-CG 3.39Å; P223-N225 WeakPolarHBondContact CB-OD1 3.28Å; P223-N225 PolarHBondContact O-N 3.26Å; P223-N225 VanDerWaalsContact O-N 3.13Å
224	Q	88.3	Confident	91.4	Very high	73 Å²	73	51 Å²	51	34%	0.341	24%	0.237	S	C	.	.	S	Bend	trans	-75.5	6	-175.4	-63.9	-173.9	11.7	0	0	115.3	Y90 L93 P226	Y90-Q224 VanDerWaalsContact CD1-NE2 3.33Å; Y90-Q224 HydrophobicContact CE1-CG 3.96Å; Y90-Q224 HydrophobicContact CE2-CG 4.18Å; Y90-Q224 PolarHBondContact O-NE2 2.79Å; Y90-Q224 WeakPolarHBondContact OH-CG 3.44Å; L93-Q224 HydrophobicContact CD2-CB 3.98Å; L93-Q224 HydrophobicContact CD2-CG 4.33Å; Q224-P226 WeakPolarHBondContact O-CD 3.43Å
225	N	90	Very high	91.5	Very high	107 Å²	107	50.6 Å²	50.6	57%	0.572	24%	0.236	S	C	*	.			trans	-110.2	73.7	179.1	60.3	-16.4	0	0	0	110.9	N198 P223	N198-N225 WeakPolarHBondContact CB-O 3.45Å; N198-N225 PolarHBondContact ND2-O 2.97Å; N198-N225 PolarHBondContact ND2-OD1 3.18Å; P223-N225 WeakPolarHBondContact CB-OD1 3.28Å; P223-N225 PolarHBondContact O-N 3.26Å; P223-N225 VanDerWaalsContact O-N 3.13Å
226	P	90.2	Very high	91.6	Very high	41 Å²	41	50.7 Å²	50.7	27%	0.266	23%	0.234	S	C	.	.			trans	-64.2	141	-178.6	28.7	-36.3	0	0	0	111.3	E200 Q224 F228	E200-P226 HydrophobicContact CB-CB 4.3Å; Q224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-F228 HydrophobicContact CB-CE1 4.35Å; P226-F228 HydrophobicContact CB-CZ 4.34Å; P226-F228 HydrophobicContact CG-CE1 4.05Å; P226-F228 HydrophobicContact CG-CE2 4.03Å; P226-F228 HydrophobicContact CG-CZ 3.6Å; P226-F228 PolarHBondContact O-N 2.85Å
227	H	89.8	Confident	91.7	Very high	74 Å²	74	52 Å²	52	34%	0.343	24%	0.241	S	C	.	.			trans	-99.2	85.8	178.1	-163.1	75.8	0	0	0	110.7	F196 N198 R229 G230	F196-H227 AromaticContact CE1-CD2 3.82Å; F196-H227 AromaticContact CE1-NE2 3.65Å; N198-H227 PolarHBondContact O-N 3.13Å; H227-R229 PolarHBondContact O-N 3.36Å; H227-R229 VanDerWaalsContact O-N 3.11Å; H227-G230 PolarHBondContact O-N 3.13Å
228	F	87.3	Confident	91.7	Very high	143 Å²	143	52.9 Å²	52.9	63%	0.627	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-56	-32.7	-173.1	-61	-69.8	0	0	0	114.7	E200 P226 G230 R231	E200-F228 HydrophobicContact CG-CE1 4.43Å; P226-F228 HydrophobicContact CB-CE1 4.35Å; P226-F228 HydrophobicContact CB-CZ 4.34Å; P226-F228 HydrophobicContact CG-CE1 4.05Å; P226-F228 HydrophobicContact CG-CE2 4.03Å; P226-F228 HydrophobicContact CG-CZ 3.6Å; P226-F228 PolarHBondContact O-N 2.85Å; F228-G230 PolarHBondContact O-N 3.46Å; F228-R231 PolarHBondContact O-N 3.02Å; F228-R231 VanDerWaalsContact O-N 3.13Å
229	R	86.9	Confident	91.5	Very high	229 Å²	229	55.7 Å²	55.7	86%	0.864	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.7	177.4	-70.4	-174.1	178	-178.7	0.2	113	H227 R231	H227-R229 PolarHBondContact O-N 3.36Å; H227-R229 VanDerWaalsContact O-N 3.11Å; R229-R231 PolarHBondContact O-N 2.95Å
230	G	81.5	Confident	91.2	Very high	25 Å²	25	62.4 Å²	62.4	26%	0.258	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-73.7	-12.3	178.8	0	0	0	0	0	114.1	H227 F228 R232	H227-G230 PolarHBondContact O-N 3.13Å; F228-G230 PolarHBondContact O-N 3.46Å; G230-R232 PolarHBondContact O-N 3.31Å; G230-R232 VanDerWaalsContact O-N 3.1Å
231	R	86.1	Confident	90.9	Very high	208 Å²	208	69.2 Å²	69.2	79%	0.785	32%	0.321	S	S	*	.			trans	50	33.2	-177.9	-61	-176.9	177.4	176.6	-0.9	113.8	F228 R229	F228-R231 PolarHBondContact O-N 3.02Å; F228-R231 VanDerWaalsContact O-N 3.13Å; R229-R231 PolarHBondContact O-N 2.95Å
232	R	90.2	Very high	90.9	Very high	16 Å²	16	74.9 Å²	74.9	6%	0.06	34%	0.343	C	S	.	.			trans	-97.2	122	179.9	-175	-166.2	172	168.9	0.9	108.5	R120 C121 V195 G197 P199 E200 G230 H247 H248	R120-R232 PolarHBondContact O-NH2 3.03Å; C121-R232 VanDerWaalsContact CA-NH2 3.31Å; C121-R232 PolarHBondContact O-NH2 3.46Å; V195-R232 VanDerWaalsContact CG1-CD 3.49Å; V195-R232 HydrophobicContact CG1-CG 4.3Å; G197-R232 PolarHBondContact O-NH1 3.2Å; P199-R232 CarbonylContact C-O 3.59Å; P199-R232 WeakPolarHBondContact CA-O 3.4Å; P199-R232 HydrophobicContact CB-CG 3.87Å; E200-R232 PolarHBondContact N-O 2.97Å; G230-R232 PolarHBondContact O-N 3.31Å; G230-R232 VanDerWaalsContact O-N 3.1Å; R232-H247 WeakPolarHBondContact CG-NE2 3.16Å; R232-H247 PolarHBondContact NE-NE2 2.88Å; R232-H248 WeakPolarHBondContact CA-O 3.45Å
233	V	92.9	Very high	91	Very high	31 Å²	31	77.3 Å²	77.3	19%	0.188	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.8	-178.4	-172.2	0	0	0	0	110	E200 V202 H247 H248	E200-V233 HydrophobicContact CB-CG1 4.42Å; E200-V233 HydrophobicContact CB-CG2 4.24Å; E200-V233 CarbonylContact O-C 3.42Å; E200-V233 WeakPolarHBondContact O-CA 3.2Å; V202-V233 HydrophobicContact CB-CG1 4.47Å; V202-V233 HydrophobicContact CG2-CG1 3.58Å; V233-H247 PolarHBondContact O-CD2 2.92Å; V233-H248 HydrophobicContact CB-CB 4.27Å; V233-H248 PolarHBondContact N-O 3.49Å; V233-H248 PolarHBondContact O-N 3.14Å
234	V	94.9	Very high	91.2	Very high	0 Å²	0	81 Å²	81	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.1	170.5	175.3	0	0	0	0	107.7	P199 E200 L201 V202 F222 F236 F245	P199-V234 HydrophobicContact CB-CB 4.37Å; P199-V234 HydrophobicContact CB-CG2 3.69Å; P199-V234 HydrophobicContact CG-CG2 4.07Å; E200-V234 PolarHBondContact O-N 3.17Å; L201-V234 WeakPolarHBondContact CA-O 3.48Å; L201-V234 HydrophobicContact CD1-CB 4.36Å; L201-V234 HydrophobicContact CD1-CG1 4.19Å; V202-V234 PolarHBondContact N-O 3.03Å; F222-V234 HydrophobicContact CE1-CB 4.3Å; F222-V234 HydrophobicContact CE1-CG1 4.13Å; F222-V234 HydrophobicContact CE1-CG2 4Å; F222-V234 HydrophobicContact CE2-CG1 4.35Å; F222-V234 HydrophobicContact CZ-CB 4.37Å; F222-V234 HydrophobicContact CZ-CG1 3.73Å; F222-V234 HydrophobicContact CZ-CG2 4.43Å; V234-F236 HydrophobicContact CG1-CD2 4.16Å; V234-F236 HydrophobicContact CG1-CE2 3.6Å; V234-F236 HydrophobicContact CG1-CZ 4.35Å; V234-F245 HydrophobicContact CG1-CD2 4.2Å; V234-F245 HydrophobicContact CG1-CE2 3.45Å; V234-F245 VanDerWaalsContact CG1-CE2 3.45Å; V234-F245 HydrophobicContact CG1-CZ 4.21Å
235	T	96.4	Very high	91.6	Very high	24 Å²	24	81.5 Å²	81.5	15%	0.147	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127	-176.3	-52.7	0	0	0	0	110	V202 H237 F245 R246	V202-T235 HydrophobicContact CB-CG2 4.08Å; V202-T235 HydrophobicContact CG1-CG2 3.99Å; V202-T235 CarbonylContact O-C 3.59Å; V202-T235 WeakPolarHBondContact O-CA 3.33Å; T235-H237 HydrophobicContact CG2-CB 4.44Å; T235-F245 WeakPolarHBondContact O-CA 3.33Å; T235-R246 PolarHBondContact N-O 3.08Å; T235-R246 PolarHBondContact O-N 2.98Å
236	F	97.1	Very high	91.8	Very high	13 Å²	13	84 Å²	84	6%	0.057	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.7	163	-63.2	-98.3	0	0	0	107.4	L201 V202 L203 N204 F206 F218 F222 V234 I243 F245	L201-F236 HydrophobicContact CD1-CD2 3.7Å; L201-F236 HydrophobicContact CD1-CE2 3.7Å; V202-F236 PolarHBondContact O-N 2.94Å; L203-F236 WeakPolarHBondContact CA-O 3.31Å; L203-F236 HydrophobicContact CD2-CB 3.75Å; L203-F236 HydrophobicContact CD2-CD2 3.71Å; L203-F236 HydrophobicContact CD2-CG 4.03Å; N204-F236 PolarHBondContact N-O 3.37Å; F206-F236 HydrophobicContact CE2-CB 3.98Å; F206-F236 HydrophobicContact CZ-CB 4.13Å; F218-F236 HydrophobicContact CB-CE1 4.45Å; F218-F236 HydrophobicContact CB-CE2 4.4Å; F218-F236 HydrophobicContact CB-CZ 4.34Å; F218-F236 HydrophobicContact CD1-CD1 4.23Å; F218-F236 AromaticContact CD1-CE1 3.61Å; F218-F236 HydrophobicContact CD1-CE1 3.61Å; F218-F236 AromaticContact CD1-CZ 3.93Å; F218-F236 HydrophobicContact CD1-CZ 3.93Å; F218-F236 HydrophobicContact CD2-CD1 4.1Å; F218-F236 HydrophobicContact CD2-CE1 4.31Å; F218-F236 HydrophobicContact CE1-CD1 4.42Å; F218-F236 AromaticContact CE1-CE1 3.83Å; F218-F236 HydrophobicContact CE1-CE1 3.83Å; F218-F236 HydrophobicContact CE2-CD1 4.3Å; F218-F236 HydrophobicContact CE2-CE1 4.5Å; F218-F236 HydrophobicContact CG-CD1 4.07Å; F218-F236 AromaticContact CG-CE1 3.87Å; F218-F236 HydrophobicContact CG-CE1 3.87Å; F218-F236 HydrophobicContact CG-CZ 4.19Å; F218-F236 HydrophobicContact CZ-CD1 4.45Å; F218-F236 HydrophobicContact CZ-CE1 4.27Å; F222-F236 AromaticContact CE2-CE2 3.67Å; F222-F236 HydrophobicContact CE2-CE2 3.67Å; F222-F236 HydrophobicContact CE2-CZ 4.01Å; F222-F236 HydrophobicContact CZ-CE2 4.08Å; F222-F236 HydrophobicContact CZ-CZ 4.3Å; V234-F236 HydrophobicContact CG1-CD2 4.16Å; V234-F236 HydrophobicContact CG1-CE2 3.6Å; V234-F236 HydrophobicContact CG1-CZ 4.35Å; F236-I243 HydrophobicContact CB-CG2 4.11Å; F236-I243 HydrophobicContact CD1-CG2 3.85Å; F236-I243 HydrophobicContact CG-CG2 4.5Å; F236-F245 AromaticContact CD1-CD2 3.95Å; F236-F245 HydrophobicContact CD1-CD2 3.95Å; F236-F245 HydrophobicContact CD2-CD2 4.43Å; F236-F245 HydrophobicContact CE1-CB 4.47Å; F236-F245 AromaticContact CE1-CD2 3.43Å; F236-F245 HydrophobicContact CE1-CD2 3.43Å; F236-F245 VanDerWaalsContact CE1-CD2 3.43Å; F236-F245 HydrophobicContact CE1-CE2 4.06Å; F236-F245 HydrophobicContact CE1-CG 4.34Å; F236-F245 AromaticContact CE2-CD2 3.97Å; F236-F245 HydrophobicContact CE2-CD2 3.97Å; F236-F245 HydrophobicContact CE2-CE2 4.01Å; F236-F245 HydrophobicContact CG-CD2 4.43Å; F236-F245 AromaticContact CZ-CD2 3.44Å; F236-F245 HydrophobicContact CZ-CD2 3.44Å; F236-F245 VanDerWaalsContact CZ-CD2 3.44Å; F236-F245 AromaticContact CZ-CE2 3.59Å; F236-F245 HydrophobicContact CZ-CE2 3.59Å
237	H	96.3	Very high	91.8	Very high	54 Å²	54	83.3 Å²	83.3	25%	0.25	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.3	178.3	-178.9	84.9	0	0	0	109.2	N204 N205 T235 F244	N204-H237 HydrophobicContact CB-CB 4.35Å; N204-H237 VanDerWaalsContact CB-ND1 3.3Å; N204-H237 WeakPolarHBondContact CB-ND1 3.5Å; N205-H237 PolarHBondContact ND2-CE1 3.48Å; N205-H237 PolarHBondContact ND2-NE2 3Å; T235-H237 HydrophobicContact CG2-CB 4.44Å; H237-F244 HydrophobicContact CB-CB 4.42Å; H237-F244 PolarHBondContact N-O 3.41Å; H237-F244 PolarHBondContact O-N 3.4Å
238	C	94.1	Very high	91.8	Very high	21 Å²	21	84.1 Å²	84.1	14%	0.142	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.4	176.1	-168.3	0	0	0	0	110.3	N204 N205 F206 Y242	N204-C238 PolarHBondContact O-N 3.13Å; N205-C238 HydrophobicContact CB-CB 4.19Å; N205-C238 WeakPolarHBondContact CB-O 3.3Å; N205-C238 PolarHBondContact ND2-O 3.4Å; N205-C238 VanDerWaalsContact ND2-O 3.12Å; N205-C238 WeakPolarHBondContact O-CB 3.49Å; F206-C238 HydrophobicContact CD1-CB 4.13Å; F206-C238 HydrophobicContact CD2-CB 4.43Å; F206-C238 HydrophobicContact CE1-CB 3.95Å; F206-C238 HydrophobicContact CE2-CB 4.27Å; F206-C238 HydrophobicContact CG-CB 4.37Å; F206-C238 HydrophobicContact CZ-CB 4.03Å; C238-Y242 WeakPolarHBondContact CA-O 3.49Å
239	Q	91.2	Very high	91.6	Very high	75 Å²	75	82.3 Å²	82.3	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	121.2	171.9	179	177.4	19.5	0	0	109.3	D241 Y242 F244	Q239-D241 VanDerWaalsContact C-N 3.27Å; Q239-D241 PolarHBondContact O-N 2.97Å; Q239-Y242 PolarHBondContact N-O 2.95Å; Q239-Y242 WeakPolarHBondContact O-CB 3.44Å; Q239-Y242 PolarHBondContact O-N 2.89Å; Q239-F244 HydrophobicContact CB-CD2 4.35Å; Q239-F244 HydrophobicContact CB-CE2 4.04Å
240	R	87.3	Confident	91.9	Very high	149 Å²	149	75 Å²	75	56%	0.562	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.6	-177.8	-56.3	177.5	-172.8	171.2	2.3	112.9	Y242	R240-Y242 HydrophobicContact CB-CD2 4.48Å; R240-Y242 WeakPolarHBondContact O-CD2 3.33Å; R240-Y242 PolarHBondContact O-N 3.03Å
241	D	88.4	Confident	92.4	Very high	144 Å²	144	77.6 Å²	77.6	77%	0.77	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	10.9	-176.3	-48.8	-34.1	0	0	0	115.1	Q239	Q239-D241 VanDerWaalsContact C-N 3.27Å; Q239-D241 PolarHBondContact O-N 2.97Å
242	Y	93.7	Very high	92.8	Very high	125 Å²	125	70.4 Å²	70.4	49%	0.49	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.8	165.4	-68.5	-91.4	0	0	0	109.5	C238 Q239 R240	C238-Y242 WeakPolarHBondContact CA-O 3.49Å; Q239-Y242 PolarHBondContact N-O 2.95Å; Q239-Y242 WeakPolarHBondContact O-CB 3.44Å; Q239-Y242 PolarHBondContact O-N 2.89Å; R240-Y242 HydrophobicContact CB-CD2 4.48Å; R240-Y242 WeakPolarHBondContact O-CD2 3.33Å; R240-Y242 PolarHBondContact O-N 3.03Å
243	I	96.3	Very high	92.9	Very high	55 Å²	55	73.6 Å²	73.6	28%	0.282	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	105.7	174.2	-54.7	178.5	0	0	0	108.3	F176 F206 I214 F218 F236 F245	F176-I243 HydrophobicContact CE1-CD1 4.16Å; F206-I243 HydrophobicContact CE1-CD1 3.88Å; F206-I243 HydrophobicContact CE1-CG1 4.25Å; F206-I243 HydrophobicContact CZ-CD1 4.18Å; F206-I243 HydrophobicContact CZ-CG1 4.32Å; F206-I243 HydrophobicContact CZ-CG2 4.03Å; I214-I243 HydrophobicContact CG2-CD1 3.93Å; F218-I243 HydrophobicContact CE2-CD1 3.71Å; F218-I243 HydrophobicContact CE2-CG2 4.44Å; F218-I243 HydrophobicContact CZ-CD1 4.3Å; F236-I243 HydrophobicContact CB-CG2 4.11Å; F236-I243 HydrophobicContact CD1-CG2 3.85Å; F236-I243 HydrophobicContact CG-CG2 4.5Å; I243-F245 PolarHBondContact O-N 2.66Å
244	F	96.4	Very high	92.9	Very high	95 Å²	95	76.3 Å²	76.3	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.4	174.6	-65.9	-84	0	0	0	109.4	H237 Q239	H237-F244 HydrophobicContact CB-CB 4.42Å; H237-F244 PolarHBondContact N-O 3.41Å; H237-F244 PolarHBondContact O-N 3.4Å; Q239-F244 HydrophobicContact CB-CD2 4.35Å; Q239-F244 HydrophobicContact CB-CE2 4.04Å
245	F	95.9	Very high	92.8	Very high	83 Å²	83	81.3 Å²	81.3	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.8	172.2	175.1	-103	0	0	0	110.8	C121 V234 T235 F236 I243	C121-F245 HydrophobicContact CB-CZ 4.29Å; V234-F245 HydrophobicContact CG1-CD2 4.2Å; V234-F245 HydrophobicContact CG1-CE2 3.45Å; V234-F245 VanDerWaalsContact CG1-CE2 3.45Å; V234-F245 HydrophobicContact CG1-CZ 4.21Å; T235-F245 WeakPolarHBondContact O-CA 3.33Å; F236-F245 AromaticContact CD1-CD2 3.95Å; F236-F245 HydrophobicContact CD1-CD2 3.95Å; F236-F245 HydrophobicContact CD2-CD2 4.43Å; F236-F245 HydrophobicContact CE1-CB 4.47Å; F236-F245 AromaticContact CE1-CD2 3.43Å; F236-F245 HydrophobicContact CE1-CD2 3.43Å; F236-F245 VanDerWaalsContact CE1-CD2 3.43Å; F236-F245 HydrophobicContact CE1-CE2 4.06Å; F236-F245 HydrophobicContact CE1-CG 4.34Å; F236-F245 AromaticContact CE2-CD2 3.97Å; F236-F245 HydrophobicContact CE2-CD2 3.97Å; F236-F245 HydrophobicContact CE2-CE2 4.01Å; F236-F245 HydrophobicContact CG-CD2 4.43Å; F236-F245 AromaticContact CZ-CD2 3.44Å; F236-F245 HydrophobicContact CZ-CD2 3.44Å; F236-F245 VanDerWaalsContact CZ-CD2 3.44Å; F236-F245 AromaticContact CZ-CE2 3.59Å; F236-F245 HydrophobicContact CZ-CE2 3.59Å; I243-F245 PolarHBondContact O-N 2.66Å
246	R	94	Very high	92.5	Very high	158 Å²	158	85.4 Å²	85.4	60%	0.596	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.9	171.5	-66.6	-174.8	-179.6	-93.6	-0.2	110.6	T235 H248	T235-R246 PolarHBondContact N-O 3.08Å; T235-R246 PolarHBondContact O-N 2.98Å; R246-H248 WeakPolarHBondContact CB-NE2 3.47Å
247	H	91.8	Very high	92.1	Very high	28 Å²	28	91 Å²	91	13%	0.13	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.4	171.9	179.9	-152.2	0	0	0	108.4	C121 R232 V233 W249	C121-H247 PolarHBondContact SG-ND1 3.29Å; R232-H247 WeakPolarHBondContact CG-NE2 3.16Å; R232-H247 PolarHBondContact NE-NE2 2.88Å; V233-H247 PolarHBondContact O-CD2 2.92Å; H247-W249 HydrophobicContact CB-CE3 4.27Å; H247-W249 HydrophobicContact CB-CZ3 3.95Å; H247-W249 AromaticContact CD2-CE3 3.87Å; H247-W249 AromaticContact CE1-CE3 3.49Å; H247-W249 VanDerWaalsContact CE1-CE3 3.49Å; H247-W249 AromaticContact CE1-CZ3 3.91Å; H247-W249 AromaticContact CG-CE3 3.61Å; H247-W249 AromaticContact CG-CZ3 3.66Å; H247-W249 AromaticContact ND1-CE3 3.37Å; H247-W249 AromaticContact ND1-CZ3 3.34Å; H247-W249 VanDerWaalsContact ND1-CZ3 3.34Å; H247-W249 WeakPolarHBondContact ND1-CZ3 3.37Å; H247-W249 AromaticContact NE2-CE3 3.77Å; H247-W249 VanDerWaalsContact O-CZ3 3.29Å; H247-W249 WeakPolarHBondContact O-CZ3 3.31Å
248	H	89.3	Confident	91.8	Very high	91 Å²	91	94.1 Å²	94.1	42%	0.421	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.3	179.8	-57.8	-84.5	0	0	0	108.9	R232 V233 R246	R232-H248 WeakPolarHBondContact CA-O 3.45Å; V233-H248 HydrophobicContact CB-CB 4.27Å; V233-H248 PolarHBondContact N-O 3.49Å; V233-H248 PolarHBondContact O-N 3.14Å; R246-H248 WeakPolarHBondContact CB-NE2 3.47Å
249	W	83.2	Confident	91.6	Very high	105 Å²	105	100.7 Å²	100.7	40%	0.398	44%	0.435	S	S	.	.			trans	-153.6	0	174.8	65	85.2	0	0	0	110	P184 C190 K191 H247	P184-W249 HydrophobicContact CB-CH2 4.16Å; P184-W249 HydrophobicContact CB-CZ2 4.35Å; P184-W249 HydrophobicContact CG-CH2 3.93Å; C190-W249 WeakPolarHBondContact SG-CZ2 3.45Å; K191-W249 PolarHBondContact O-NE1 3.14Å; K191-W249 VanDerWaalsContact O-NE1 3.15Å; H247-W249 HydrophobicContact CB-CE3 4.27Å; H247-W249 HydrophobicContact CB-CZ3 3.95Å; H247-W249 AromaticContact CD2-CE3 3.87Å; H247-W249 AromaticContact CE1-CE3 3.49Å; H247-W249 VanDerWaalsContact CE1-CE3 3.49Å; H247-W249 AromaticContact CE1-CZ3 3.91Å; H247-W249 AromaticContact CG-CE3 3.61Å; H247-W249 AromaticContact CG-CZ3 3.66Å; H247-W249 AromaticContact ND1-CE3 3.37Å; H247-W249 AromaticContact ND1-CZ3 3.34Å; H247-W249 VanDerWaalsContact ND1-CZ3 3.34Å; H247-W249 WeakPolarHBondContact ND1-CZ3 3.37Å; H247-W249 AromaticContact NE2-CE3 3.77Å; H247-W249 VanDerWaalsContact O-CZ3 3.29Å; H247-W249 WeakPolarHBondContact O-CZ3 3.31Å

Retrieved 249 of 249 residues in 196.2 ms (Link to these results)

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