A0A3Q0KH75_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KH75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	34.5	Very low	47.7	Very low	215 Å²	215	120 Å²	120	100%	1.059	62%	0.619	S	S	*	*				0	-41.4	0	-80	-167.5	-168.2	0	0	113.3	D3 L4	M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 2.77Å; M1-L4 PolarHBondContact O-N 2.87Å
2	A	40.1	Very low	51	Low	83 Å²	83	110.8 Å²	110.8	69%	0.686	57%	0.571	S	S	*	*	H	α-helix	trans	-58.1	-36.4	178.4	0	0	0	0	0	114.1	L4 V5 N6	A2-L4 PolarHBondContact O-N 3.5Å; A2-V5 PolarHBondContact O-N 3.17Å; A2-N6 PolarHBondContact O-N 3.04Å
3	D	38.2	Very low	54.2	Low	125 Å²	125	107.1 Å²	107.1	67%	0.668	55%	0.553	S	S	*	*	H	α-helix	trans	-69.4	-28.4	179.2	-74.3	-29.4	0	0	0	114.6	M1 N6 R7	M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 2.77Å; D3-N6 PolarHBondContact O-N 3.26Å; D3-R7 PolarHBondContact O-N 3.05Å
4	L	34.6	Very low	57	Low	128 Å²	128	99.4 Å²	99.4	67%	0.67	51%	0.513	S	S	*	.	H	α-helix	trans	-72.5	-35.9	177.6	-117.4	96.9	0	0	0	111.4	M1 A2 N6 Q8	M1-L4 PolarHBondContact O-N 2.87Å; A2-L4 PolarHBondContact O-N 3.5Å; L4-N6 VanDerWaalsContact C-N 3.29Å; L4-N6 PolarHBondContact O-N 2.85Å; L4-Q8 PolarHBondContact O-N 3.36Å
5	V	40.4	Very low	59.5	Low	98 Å²	98	97.8 Å²	97.8	59%	0.594	51%	0.506	S	S	*	.	H	α-helix	trans	-67.9	-33.1	177.1	-179.3	0	0	0	0	110.8	A2	A2-V5 PolarHBondContact O-N 3.17Å
6	N	43.7	Very low	61.6	Low	89 Å²	89	100.8 Å²	100.8	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-74.9	-37.3	179.7	-129.1	4.8	0	0	0	112.5	A2 D3 L4 Q8 R9	A2-N6 PolarHBondContact O-N 3.04Å; D3-N6 PolarHBondContact O-N 3.26Å; L4-N6 VanDerWaalsContact C-N 3.29Å; L4-N6 PolarHBondContact O-N 2.85Å; N6-Q8 VanDerWaalsContact C-N 3.34Å; N6-Q8 PolarHBondContact O-N 3.36Å; N6-R9 PolarHBondContact O-N 2.99Å
7	R	44.6	Very low	63.6	Low	199 Å²	199	98.6 Å²	98.6	75%	0.751	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-30.4	178.1	-77.8	-175.1	179.2	-177.7	0.7	113.8	D3 R9 T10	D3-R7 PolarHBondContact O-N 3.05Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 3.29Å; R7-T10 PolarHBondContact O-OG1 2.88Å
8	Q	51	Low	65.4	Low	145 Å²	145	93.7 Å²	93.7	68%	0.678	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.1	-178.2	-73.2	-172.4	-8.7	0	0	114.5	L4 N6	L4-Q8 PolarHBondContact O-N 3.36Å; N6-Q8 VanDerWaalsContact C-N 3.34Å; N6-Q8 PolarHBondContact O-N 3.36Å
9	R	56.5	Low	67.1	Low	60 Å²	60	94.4 Å²	94.4	23%	0.226	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-20.8	-178	-75.3	-170.1	177.1	-179.8	1.4	114.5	N6 R7 D11 I12 L20 D31 Y33 Y86	N6-R9 PolarHBondContact O-N 2.99Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 3.29Å; R9-D11 PolarHBondContact O-N 3.3Å; R9-I12 HydrophobicContact CB-CD1 4.04Å; R9-I12 HydrophobicContact CG-CD1 3.87Å; R9-I12 WeakPolarHBondContact O-CB 3.4Å; R9-I12 WeakPolarHBondContact O-CG1 3.14Å; R9-I12 PolarHBondContact O-N 3.47Å; R9-I12 VanDerWaalsContact O-N 3.09Å; R9-L20 HydrophobicContact CB-CD2 4.49Å; R9-D31 IonicContact NH1-OD2 3.06Å; R9-D31 PolarHBondContact NH1-OD2 3.48Å; R9-Y33 PolarHBondContact NH1-OH 3.34Å; R9-Y86 PolarHBondContact NH2-OH 3.07Å
10	T	62.6	Low	68.5	Low	59 Å²	59	89.7 Å²	89.7	36%	0.362	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.3	-177.3	49.5	0	0	0	0	114.5	R7 L20	R7-T10 PolarHBondContact O-OG1 2.88Å; T10-L20 CarbonylContact C-O 3.49Å; T10-L20 WeakPolarHBondContact CA-O 3.39Å; T10-L20 VanDerWaalsContact O-O 3.13Å
11	D	78.2	Confident	69.7	Low	119 Å²	119	88.9 Å²	88.9	64%	0.636	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	6.6	174.9	-66.8	-26.6	0	0	0	113.1	R9 L13	R9-D11 PolarHBondContact O-N 3.3Å; D11-L13 PolarHBondContact O-N 3.08Å
12	I	87.4	Confident	72.5	Confident	9 Å²	9	85.3 Å²	85.3	5%	0.046	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-75.3	118.1	177.3	-63.4	174.1	0	0	0	109	R9 V14 L20	R9-I12 HydrophobicContact CB-CD1 4.04Å; R9-I12 HydrophobicContact CG-CD1 3.87Å; R9-I12 WeakPolarHBondContact O-CB 3.4Å; R9-I12 WeakPolarHBondContact O-CG1 3.14Å; R9-I12 PolarHBondContact O-N 3.47Å; R9-I12 VanDerWaalsContact O-N 3.09Å; I12-V14 HydrophobicContact CG2-CG2 4.18Å; I12-L20 HydrophobicContact CB-CB 4.03Å; I12-L20 HydrophobicContact CB-CD2 4.14Å; I12-L20 HydrophobicContact CD1-CD2 4.16Å; I12-L20 HydrophobicContact CG2-CB 4.48Å; I12-L20 HydrophobicContact CG2-CD2 4.43Å; I12-L20 WeakPolarHBondContact O-CB 3.28Å; I12-L20 PolarHBondContact O-N 3.12Å
13	L	92.4	Very high	75.1	Confident	63 Å²	63	85.1 Å²	85.1	33%	0.33	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.6	170.4	-171	59	0	0	0	109.7	D11 R19 Q38	D11-L13 PolarHBondContact O-N 3.08Å; L13-R19 HydrophobicContact CD1-CB 4.4Å; L13-Q38 HydrophobicContact CD1-CG 4.28Å
14	V	94.1	Very high	77.7	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.3	178	176.1	0	0	0	0	109	I12 D16 K17 Y18 W79 C83 V88 V90	I12-V14 HydrophobicContact CG2-CG2 4.18Å; V14-D16 PolarHBondContact O-N 3.29Å; V14-K17 PolarHBondContact O-N 3.3Å; V14-K17 VanDerWaalsContact O-N 3.13Å; V14-Y18 PolarHBondContact N-O 2.82Å; V14-Y18 PolarHBondContact O-N 3.18Å; V14-W79 HydrophobicContact CG1-CE3 3.78Å; V14-W79 HydrophobicContact CG1-CH2 3.93Å; V14-W79 HydrophobicContact CG1-CZ3 3.27Å; V14-C83 HydrophobicContact CG2-CB 4.27Å; V14-V88 HydrophobicContact CG1-CB 4.38Å; V14-V88 HydrophobicContact CG1-CG1 3.75Å; V14-V88 HydrophobicContact CG2-CG1 4.27Å; V14-V90 HydrophobicContact CG1-CG2 4.23Å
15	N	94.2	Very high	80.3	Confident	75 Å²	75	77.9 Å²	77.9	40%	0.401	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	36.8	179.9	-168.6	70.6	0	0	0	113.4	K17 W79	N15-K17 WeakPolarHBondContact O-CB 3.33Å; N15-K17 PolarHBondContact O-N 3.04Å; N15-W79 HydrophobicContact CB-CD2 3.88Å; N15-W79 VanDerWaalsContact CB-CE2 3.49Å; N15-W79 HydrophobicContact CB-CE3 4.33Å; N15-W79 HydrophobicContact CB-CG 4.38Å; N15-W79 HydrophobicContact CB-CH2 4.06Å; N15-W79 HydrophobicContact CB-CZ2 3.6Å; N15-W79 HydrophobicContact CB-CZ3 4.4Å; N15-W79 VanDerWaalsContact CG-CE2 3.44Å; N15-W79 VanDerWaalsContact OD1-CE2 3.31Å; N15-W79 WeakPolarHBondContact OD1-CZ2 3.48Å; N15-W79 PolarHBondContact OD1-NE1 3.37Å
16	D	92.7	Very high	82.4	Confident	145 Å²	145	77.3 Å²	77.3	78%	0.775	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	22.1	-178.1	-55.2	-45.9	0	0	0	114.7	V14	V14-D16 PolarHBondContact O-N 3.29Å
17	K	95.5	Very high	83.6	Confident	65 Å²	65	74.4 Å²	74.4	28%	0.283	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-41	-167.4	-178	176.2	176.7	-173.5	0	113.6	V14 N15 N37 Q38	V14-K17 PolarHBondContact O-N 3.3Å; V14-K17 VanDerWaalsContact O-N 3.13Å; N15-K17 WeakPolarHBondContact O-CB 3.33Å; N15-K17 PolarHBondContact O-N 3.04Å; K17-N37 VanDerWaalsContact CE-CG 3.5Å; K17-N37 WeakPolarHBondContact CE-ND2 3.37Å; K17-N37 WeakPolarHBondContact CE-OD1 3.48Å; K17-N37 WeakPolarHBondContact O-CA 3.47Å; K17-Q38 PolarHBondContact O-N 2.89Å
18	Y	96.9	Very high	84.6	Confident	10 Å²	10	67.3 Å²	67.3	4%	0.039	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106.2	-173.3	-56.8	-81.2	0	0	0	110.3	V14 L20 V36 N37 V44 W79 V90	V14-Y18 PolarHBondContact N-O 2.82Å; V14-Y18 PolarHBondContact O-N 3.18Å; Y18-L20 PolarHBondContact O-N 3.02Å; Y18-V36 WeakPolarHBondContact CA-O 3.2Å; Y18-N37 HydrophobicContact CD1-CB 4.05Å; Y18-N37 HydrophobicContact CE1-CB 3.96Å; Y18-V44 HydrophobicContact CD1-CG1 4.39Å; Y18-V44 HydrophobicContact CD1-CG2 3.75Å; Y18-V44 HydrophobicContact CE1-CG1 4.15Å; Y18-V44 HydrophobicContact CE1-CG2 4.31Å; Y18-W79 HydrophobicContact CE2-CB 4.15Å; Y18-V90 HydrophobicContact CD1-CG1 3.91Å; Y18-V90 HydrophobicContact CD2-CG1 4.33Å; Y18-V90 HydrophobicContact CD2-CG2 4.05Å; Y18-V90 HydrophobicContact CE1-CG1 3.83Å; Y18-V90 HydrophobicContact CE2-CG1 4.26Å; Y18-V90 HydrophobicContact CE2-CG2 4.4Å; Y18-V90 HydrophobicContact CG-CG1 4.15Å; Y18-V90 HydrophobicContact CG-CG2 4.28Å
19	R	96.4	Very high	85.6	Confident	107 Å²	107	62.7 Å²	62.7	40%	0.404	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.3	175.2	-178.4	-179.6	-64.7	-119.8	0.7	109.1	L13 M21 G35 V36 Q38	L13-R19 HydrophobicContact CD1-CB 4.4Å; R19-M21 HydrophobicContact CG-SD 4.25Å; R19-G35 CarbonylContact O-C 3.6Å; R19-G35 WeakPolarHBondContact O-CA 3.49Å; R19-V36 PolarHBondContact N-O 3.48Å; R19-V36 PolarHBondContact O-N 2.95Å; R19-Q38 HydrophobicContact CB-CG 3.99Å
20	L	95.4	Very high	86.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.7	175.6	-157.2	72	0	0	0	110	R9 T10 I12 Y18 Y33 V46 M48	R9-L20 HydrophobicContact CB-CD2 4.49Å; T10-L20 CarbonylContact C-O 3.49Å; T10-L20 WeakPolarHBondContact CA-O 3.39Å; T10-L20 VanDerWaalsContact O-O 3.13Å; I12-L20 HydrophobicContact CB-CB 4.03Å; I12-L20 HydrophobicContact CB-CD2 4.14Å; I12-L20 HydrophobicContact CD1-CD2 4.16Å; I12-L20 HydrophobicContact CG2-CB 4.48Å; I12-L20 HydrophobicContact CG2-CD2 4.43Å; I12-L20 WeakPolarHBondContact O-CB 3.28Å; I12-L20 PolarHBondContact O-N 3.12Å; Y18-L20 PolarHBondContact O-N 3.02Å; L20-Y33 HydrophobicContact CD1-CD1 4.28Å; L20-Y33 HydrophobicContact CD1-CD2 4.08Å; L20-Y33 HydrophobicContact CD1-CG 3.64Å; L20-Y33 HydrophobicContact CD2-CD1 3.99Å; L20-Y33 HydrophobicContact CD2-CD2 4.19Å; L20-Y33 HydrophobicContact CD2-CE1 4.35Å; L20-Y33 HydrophobicContact CD2-CE2 4.49Å; L20-Y33 HydrophobicContact CD2-CG 3.97Å; L20-Y33 HydrophobicContact CG-CD1 3.97Å; L20-Y33 HydrophobicContact CG-CD2 4.46Å; L20-Y33 HydrophobicContact CG-CG 3.84Å; L20-V46 HydrophobicContact CD1-CB 3.8Å; L20-V46 HydrophobicContact CD1-CG1 3.78Å; L20-V46 HydrophobicContact CD1-CG2 4.16Å; L20-M48 HydrophobicContact CD1-SD 4.09Å; L20-M48 HydrophobicContact CD2-SD 3.78Å
21	M	94.5	Very high	88.2	Confident	73 Å²	73	59.8 Å²	59.8	36%	0.36	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-136	179.6	-55.7	-67.6	-77	0	0	109.3	R19 L34 V36	R19-M21 HydrophobicContact CG-SD 4.25Å; M21-L34 WeakPolarHBondContact CA-O 3.39Å; M21-L34 HydrophobicContact CB-CB 4.21Å; M21-L34 HydrophobicContact CB-CD2 4.38Å; M21-L34 HydrophobicContact CB-CG 4.23Å; M21-L34 VanDerWaalsContact CB-O 3.26Å; M21-L34 WeakPolarHBondContact CB-O 3.42Å; M21-L34 PolarHBondContact N-O 3.35Å; M21-V36 HydrophobicContact CG-CG2 3.99Å
22	R	93.5	Very high	89	Confident	139 Å²	139	56.1 Å²	56.1	53%	0.525	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	151.4	179.7	68.1	-177.6	-177.6	-83.1	-3.7	112.1	I24 Y33 L34	R22-I24 HydrophobicContact CG-CG2 4.19Å; R22-Y33 WeakPolarHBondContact O-CA 3.28Å; R22-L34 HydrophobicContact CG-CB 4.4Å; R22-L34 VanDerWaalsContact NH1-CD2 3.27Å; R22-L34 PolarHBondContact O-N 3Å
23	K	93.8	Very high	89.4	Confident	80 Å²	80	56 Å²	56	35%	0.348	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.3	165.4	-170.1	172.5	172.5	175.6	0	109.3	G25 S26 D31 I32 Y33	K23-G25 WeakPolarHBondContact CE-O 3.38Å; K23-S26 WeakPolarHBondContact CE-OG 3.42Å; K23-S26 PolarHBondContact NZ-OG 2.86Å; K23-D31 WeakPolarHBondContact CE-OD1 3.33Å; K23-D31 IonicContact NZ-OD1 2.62Å; K23-D31 PolarHBondContact NZ-OD1 3.08Å; K23-I32 WeakPolarHBondContact CG-O 3.5Å; K23-Y33 HydrophobicContact CB-CD1 4Å; K23-Y33 HydrophobicContact CB-CE1 3.6Å; K23-Y33 HydrophobicContact CG-CE1 4.15Å
24	I	93.1	Very high	89.6	Confident	74 Å²	74	53.2 Å²	53.2	38%	0.379	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-13.9	178.4	61	175.9	0	0	0	113	R22 I32 L34 L93	R22-I24 HydrophobicContact CG-CG2 4.19Å; I24-I32 HydrophobicContact CD1-CG2 3.99Å; I24-I32 HydrophobicContact CG1-CB 4.31Å; I24-I32 HydrophobicContact CG1-CG2 3.81Å; I24-I32 PolarHBondContact N-O 3.31Å; I24-L34 HydrophobicContact CG2-CB 3.75Å; I24-L93 HydrophobicContact CD1-CD1 3.77Å
25	G	88.5	Confident	89.7	Confident	26 Å²	26	53.2 Å²	53.2	27%	0.268	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	167.6	176.1	0	0	0	0	0	112.6	K23 I32	K23-G25 WeakPolarHBondContact CE-O 3.38Å; G25-I32 PolarHBondContact N-O 2.87Å; G25-I32 VanDerWaalsContact N-O 3.12Å; G25-I32 PolarHBondContact O-N 3.36Å
26	S	85.7	Confident	89.9	Confident	86 Å²	86	51.2 Å²	51.2	60%	0.601	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.7	166.1	-47.3	0	0	0	0	106.8	K23	K23-S26 WeakPolarHBondContact CE-OG 3.42Å; K23-S26 PolarHBondContact NZ-OG 2.86Å
27	G	67.7	Low	90.1	Very high	29 Å²	29	44.5 Å²	44.5	30%	0.299	24%	0.236	S	C	.	.			trans	-81.9	177.9	169.3	0	0	0	0	0	111.3	F29 G30	G27-F29 PolarHBondContact O-N 3.42Å; G27-G30 WeakPolarHBondContact CA-O 3.4Å; G27-G30 PolarHBondContact N-O 3.25Å
28	S	66.6	Low	90.1	Very high	50 Å²	50	45.5 Å²	45.5	35%	0.35	24%	0.241	S	C	.	.	S	Bend	trans	-63.1	-26.3	173.5	40.1	0	0	0	0	113.6	N340	S28-N340 VanDerWaalsContact CB-ND2 3.31Å; S28-N340 WeakPolarHBondContact CB-ND2 3.34Å; S28-N340 PolarHBondContact OG-ND2 3.33Å
29	F	71.1	Confident	90	Very high	47 Å²	47	52.2 Å²	52.2	21%	0.206	28%	0.277	C	S	.	.	S	Bend	trans	-124.7	3.2	-173	-51.4	-74.1	0	0	0	114.2	G27 Q57 L161	G27-F29 PolarHBondContact O-N 3.42Å; F29-Q57 HydrophobicContact CD1-CG 4.4Å; F29-Q57 VanDerWaalsContact CE1-NE2 3.28Å; F29-Q57 VanDerWaalsContact CZ-CD 3.46Å; F29-Q57 VanDerWaalsContact CZ-NE2 3.32Å; F29-L161 HydrophobicContact CE2-CD2 4.5Å; F29-L161 HydrophobicContact CE2-CG 4.42Å; F29-L161 HydrophobicContact CZ-CD2 3.99Å; F29-L161 HydrophobicContact CZ-CG 4.33Å
30	G	82.6	Confident	90	Very high	18 Å²	18	51.4 Å²	51.4	19%	0.186	28%	0.284	C	S	.	.	S	Bend	trans	175.9	-180	-176.1	0	0	0	0	0	114.8	G27 M48	G27-G30 WeakPolarHBondContact CA-O 3.4Å; G27-G30 PolarHBondContact N-O 3.25Å; G30-M48 CarbonylContact C-O 3.6Å; G30-M48 VanDerWaalsContact CA-O 3.24Å; G30-M48 WeakPolarHBondContact CA-O 3.47Å
31	D	91.7	Very high	90	Very high	40 Å²	40	53.9 Å²	53.9	21%	0.214	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	144.9	178.5	-69.3	-34.3	0	0	0	110.3	R9 K23 Y33 M48	R9-D31 IonicContact NH1-OD2 3.06Å; R9-D31 PolarHBondContact NH1-OD2 3.48Å; K23-D31 WeakPolarHBondContact CE-OD1 3.33Å; K23-D31 IonicContact NZ-OD1 2.62Å; K23-D31 PolarHBondContact NZ-OD1 3.08Å; D31-Y33 HydrophobicContact CB-CD2 4.22Å; D31-Y33 HydrophobicContact CB-CE2 3.38Å; D31-Y33 PolarHBondContact OD2-OH 2.99Å; D31-M48 PolarHBondContact N-O 2.93Å; D31-M48 VanDerWaalsContact N-O 3.08Å; D31-M48 PolarHBondContact O-N 3.32Å
32	I	94.2	Very high	90.1	Very high	42 Å²	42	53.8 Å²	53.8	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	174.5	-51.2	175.5	0	0	0	108.8	K23 I24 G25 A45 V46 K47	K23-I32 WeakPolarHBondContact CG-O 3.5Å; I24-I32 HydrophobicContact CD1-CG2 3.99Å; I24-I32 HydrophobicContact CG1-CB 4.31Å; I24-I32 HydrophobicContact CG1-CG2 3.81Å; I24-I32 PolarHBondContact N-O 3.31Å; G25-I32 PolarHBondContact N-O 2.87Å; G25-I32 VanDerWaalsContact N-O 3.12Å; G25-I32 PolarHBondContact O-N 3.36Å; I32-A45 HydrophobicContact CG2-CB 4.4Å; I32-V46 WeakPolarHBondContact CA-O 3.26Å; I32-K47 HydrophobicContact CG1-CG 4.3Å
33	Y	95.7	Very high	90.3	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.8	-178.8	-69	-89.9	0	0	0	111.6	R9 L20 R22 K23 D31 A45 V46 M48	R9-Y33 PolarHBondContact NH1-OH 3.34Å; L20-Y33 HydrophobicContact CD1-CD1 4.28Å; L20-Y33 HydrophobicContact CD1-CD2 4.08Å; L20-Y33 HydrophobicContact CD1-CG 3.64Å; L20-Y33 HydrophobicContact CD2-CD1 3.99Å; L20-Y33 HydrophobicContact CD2-CD2 4.19Å; L20-Y33 HydrophobicContact CD2-CE1 4.35Å; L20-Y33 HydrophobicContact CD2-CE2 4.49Å; L20-Y33 HydrophobicContact CD2-CG 3.97Å; L20-Y33 HydrophobicContact CG-CD1 3.97Å; L20-Y33 HydrophobicContact CG-CD2 4.46Å; L20-Y33 HydrophobicContact CG-CG 3.84Å; R22-Y33 WeakPolarHBondContact O-CA 3.28Å; K23-Y33 HydrophobicContact CB-CD1 4Å; K23-Y33 HydrophobicContact CB-CE1 3.6Å; K23-Y33 HydrophobicContact CG-CE1 4.15Å; D31-Y33 HydrophobicContact CB-CD2 4.22Å; D31-Y33 HydrophobicContact CB-CE2 3.38Å; D31-Y33 PolarHBondContact OD2-OH 2.99Å; Y33-A45 WeakPolarHBondContact O-CA 3.27Å; Y33-V46 PolarHBondContact N-O 3.12Å; Y33-V46 PolarHBondContact O-N 3.2Å; Y33-M48 HydrophobicContact CD2-CG 4.25Å; Y33-M48 HydrophobicContact CD2-SD 3.92Å; Y33-M48 HydrophobicContact CE2-SD 4.07Å
34	L	96.8	Very high	90.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.8	157.2	178.2	63.7	0	0	0	107.8	M21 R22 I24 E43 L93	M21-L34 WeakPolarHBondContact CA-O 3.39Å; M21-L34 HydrophobicContact CB-CB 4.21Å; M21-L34 HydrophobicContact CB-CD2 4.38Å; M21-L34 HydrophobicContact CB-CG 4.23Å; M21-L34 VanDerWaalsContact CB-O 3.26Å; M21-L34 WeakPolarHBondContact CB-O 3.42Å; M21-L34 PolarHBondContact N-O 3.35Å; R22-L34 HydrophobicContact CG-CB 4.4Å; R22-L34 VanDerWaalsContact NH1-CD2 3.27Å; R22-L34 PolarHBondContact O-N 3Å; I24-L34 HydrophobicContact CG2-CB 3.75Å; L34-E43 HydrophobicContact CD1-CB 4Å; L34-E43 HydrophobicContact CD1-CG 4.27Å; L34-L93 HydrophobicContact CD1-CD1 4.28Å; L34-L93 HydrophobicContact CD1-CD2 3.67Å
35	G	97	Very high	90.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	162.4	167.3	0	0	0	0	0	110.8	R19 E43 V44	R19-G35 CarbonylContact O-C 3.6Å; R19-G35 WeakPolarHBondContact O-CA 3.49Å; G35-E43 WeakPolarHBondContact O-CA 3.48Å; G35-V44 PolarHBondContact N-O 2.98Å; G35-V44 WeakPolarHBondContact O-CG2 3.48Å; G35-V44 PolarHBondContact O-N 2.88Å
36	V	97.5	Very high	91.1	Very high	33 Å²	33	43.4 Å²	43.4	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.2	174.1	-178.8	0	0	0	0	108.9	Y18 R19 M21 Q38 E43	Y18-V36 WeakPolarHBondContact CA-O 3.2Å; R19-V36 PolarHBondContact N-O 3.48Å; R19-V36 PolarHBondContact O-N 2.95Å; M21-V36 HydrophobicContact CG-CG2 3.99Å; V36-Q38 PolarHBondContact O-N 3.38Å; V36-E43 HydrophobicContact CG2-CG 4.44Å
37	N	97.4	Very high	91.6	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	111.7	168.4	178.8	-14.9	0	0	0	108.8	K17 Y18 L39 T40 G41 E42	K17-N37 VanDerWaalsContact CE-CG 3.5Å; K17-N37 WeakPolarHBondContact CE-ND2 3.37Å; K17-N37 WeakPolarHBondContact CE-OD1 3.48Å; K17-N37 WeakPolarHBondContact O-CA 3.47Å; Y18-N37 HydrophobicContact CD1-CB 4.05Å; Y18-N37 HydrophobicContact CE1-CB 3.96Å; N37-L39 PolarHBondContact O-N 3.45Å; N37-L39 PolarHBondContact OD1-N 3.49Å; N37-L39 VanDerWaalsContact OD1-N 3.14Å; N37-T40 WeakPolarHBondContact CB-OG1 3.33Å; N37-T40 PolarHBondContact ND2-OG1 3.12Å; N37-T40 PolarHBondContact O-N 2.89Å; N37-G41 WeakPolarHBondContact O-CA 3.47Å; N37-G41 PolarHBondContact O-N 3.28Å; N37-E42 HydrophobicContact CB-CB 4.28Å; N37-E42 PolarHBondContact N-O 2.82Å
38	Q	95.3	Very high	92.9	Very high	86 Å²	86	38.9 Å²	38.9	40%	0.402	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.2	-172.6	-65.6	-165.2	-82.3	0	0	114	L13 K17 R19 V36	L13-Q38 HydrophobicContact CD1-CG 4.28Å; K17-Q38 PolarHBondContact O-N 2.89Å; R19-Q38 HydrophobicContact CB-CG 3.99Å; V36-Q38 PolarHBondContact O-N 3.38Å
39	L	95.2	Very high	94.1	Very high	151 Å²	151	36.8 Å²	36.8	79%	0.791	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-38.2	-179.9	-63.7	177	0	0	0	112.1	N37	N37-L39 PolarHBondContact O-N 3.45Å; N37-L39 PolarHBondContact OD1-N 3.49Å; N37-L39 VanDerWaalsContact OD1-N 3.14Å
40	T	96.7	Very high	95.2	Very high	91 Å²	91	37.3 Å²	37.3	56%	0.558	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-12.4	-172.5	66.1	0	0	0	0	114	N37 E42	N37-T40 WeakPolarHBondContact CB-OG1 3.33Å; N37-T40 PolarHBondContact ND2-OG1 3.12Å; N37-T40 PolarHBondContact O-N 2.89Å; T40-E42 PolarHBondContact O-N 3.25Å; T40-E42 VanDerWaalsContact OG1-CB 3.28Å; T40-E42 WeakPolarHBondContact OG1-CB 3.34Å; T40-E42 PolarHBondContact OG1-N 2.99Å
41	G	96.1	Very high	95.6	Very high	51 Å²	51	39.2 Å²	39.2	53%	0.526	22%	0.217	S	C	.	.			trans	71.1	1.6	-170.6	0	0	0	0	0	114.5	N37 E43	N37-G41 WeakPolarHBondContact O-CA 3.47Å; N37-G41 PolarHBondContact O-N 3.28Å; G41-E43 PolarHBondContact O-N 3.15Å
42	E	96.7	Very high	95.6	Very high	72 Å²	72	46 Å²	46	34%	0.336	24%	0.24	S	C	.	.			trans	-66.2	126.4	-178	-173.4	-177	-166.8	0	0	111	N37 T40 R78	N37-E42 HydrophobicContact CB-CB 4.28Å; N37-E42 PolarHBondContact N-O 2.82Å; T40-E42 PolarHBondContact O-N 3.25Å; T40-E42 VanDerWaalsContact OG1-CB 3.28Å; T40-E42 WeakPolarHBondContact OG1-CB 3.34Å; T40-E42 PolarHBondContact OG1-N 2.99Å; E42-R78 IonicContact OE1-CZ 2.76Å; E42-R78 VanDerWaalsContact OE1-CZ 3.3Å; E42-R78 IonicContact OE1-NH1 2.76Å; E42-R78 PolarHBondContact OE1-NH1 3.07Å; E42-R78 IonicContact OE1-NH2 3.98Å; E42-R78 PolarHBondContact OE1-NH2 3.42Å; E42-R78 IonicContact OE2-NH1 2.99Å; E42-R78 PolarHBondContact OE2-NH1 3.29Å
43	E	97.6	Very high	95.4	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	139	173.2	-65.4	-169.3	143.6	0	0	111.3	L34 G35 V36 G41 L93	L34-E43 HydrophobicContact CD1-CB 4Å; L34-E43 HydrophobicContact CD1-CG 4.27Å; G35-E43 WeakPolarHBondContact O-CA 3.48Å; V36-E43 HydrophobicContact CG2-CG 4.44Å; G41-E43 PolarHBondContact O-N 3.15Å; E43-L93 HydrophobicContact CB-CD2 3.79Å
44	V	98	Very high	95	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.3	-177.9	-65.8	0	0	0	0	111.1	Y18 G35 V46 V90 M91	Y18-V44 HydrophobicContact CD1-CG1 4.39Å; Y18-V44 HydrophobicContact CD1-CG2 3.75Å; Y18-V44 HydrophobicContact CE1-CG1 4.15Å; Y18-V44 HydrophobicContact CE1-CG2 4.31Å; G35-V44 PolarHBondContact N-O 2.98Å; G35-V44 WeakPolarHBondContact O-CG2 3.48Å; G35-V44 PolarHBondContact O-N 2.88Å; V44-V46 HydrophobicContact CG2-CG2 4.03Å; V44-V90 HydrophobicContact CB-CG1 3.85Å; V44-V90 HydrophobicContact CG1-CG1 4.17Å; V44-V90 HydrophobicContact CG2-CG1 3.75Å; V44-M91 WeakPolarHBondContact CB-O 3.41Å
45	A	97.4	Very high	94.4	Very high	10 Å²	10	58 Å²	58	8%	0.083	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.8	166.3	0	0	0	0	0	109.8	I32 Y33 V90 M91 L93	I32-A45 HydrophobicContact CG2-CB 4.4Å; Y33-A45 WeakPolarHBondContact O-CA 3.27Å; A45-V90 WeakPolarHBondContact O-CA 3.47Å; A45-M91 HydrophobicContact CB-CG 3.99Å; A45-M91 PolarHBondContact N-O 3.23Å; A45-M91 PolarHBondContact O-N 2.76Å; A45-L93 HydrophobicContact CB-CD1 4.19Å
46	V	96.4	Very high	94.1	Very high	1 Å²	1	62 Å²	62	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	103.8	-179.5	-173.1	0	0	0	0	108.7	L20 I32 Y33 V44 M48 V88 V90	L20-V46 HydrophobicContact CD1-CB 3.8Å; L20-V46 HydrophobicContact CD1-CG1 3.78Å; L20-V46 HydrophobicContact CD1-CG2 4.16Å; I32-V46 WeakPolarHBondContact CA-O 3.26Å; Y33-V46 PolarHBondContact N-O 3.12Å; Y33-V46 PolarHBondContact O-N 3.2Å; V44-V46 HydrophobicContact CG2-CG2 4.03Å; V46-M48 HydrophobicContact CG1-CG 4.06Å; V46-V88 HydrophobicContact CG1-CG1 3.45Å; V46-V88 VanDerWaalsContact CG1-CG1 3.45Å; V46-V90 HydrophobicContact CG1-CG2 4.33Å; V46-V90 HydrophobicContact CG2-CG2 4.29Å
47	K	95.5	Very high	93.8	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.057	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.5	175.1	-169.1	171.4	-173	-176.5	0	108.7	I32 L58 E61 V88 L89 D158	I32-K47 HydrophobicContact CG1-CG 4.3Å; K47-L58 HydrophobicContact CB-CD1 4.27Å; K47-L58 HydrophobicContact CD-CD1 3.7Å; K47-L58 HydrophobicContact CG-CD1 3.87Å; K47-E61 IonicContact NZ-OE1 2.78Å; K47-E61 PolarHBondContact NZ-OE1 2.87Å; K47-E61 IonicContact NZ-OE2 2.98Å; K47-E61 PolarHBondContact NZ-OE2 3.49Å; K47-V88 WeakPolarHBondContact O-CA 3.35Å; K47-L89 HydrophobicContact CB-CB 4.45Å; K47-L89 PolarHBondContact N-O 3.17Å; K47-L89 PolarHBondContact O-N 3.25Å; K47-D158 IonicContact NZ-OD1 2.79Å; K47-D158 PolarHBondContact NZ-OD1 2.89Å
48	M	94.4	Very high	93.6	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128	-177.2	-58	-174.2	72.9	0	0	110.8	L20 G30 D31 Y33 V46 Y86 W87 V88	L20-M48 HydrophobicContact CD1-SD 4.09Å; L20-M48 HydrophobicContact CD2-SD 3.78Å; G30-M48 CarbonylContact C-O 3.6Å; G30-M48 VanDerWaalsContact CA-O 3.24Å; G30-M48 WeakPolarHBondContact CA-O 3.47Å; D31-M48 PolarHBondContact N-O 2.93Å; D31-M48 VanDerWaalsContact N-O 3.08Å; D31-M48 PolarHBondContact O-N 3.32Å; Y33-M48 HydrophobicContact CD2-CG 4.25Å; Y33-M48 HydrophobicContact CD2-SD 3.92Å; Y33-M48 HydrophobicContact CE2-SD 4.07Å; V46-M48 HydrophobicContact CG1-CG 4.06Å; M48-Y86 HydrophobicContact CB-CD1 4.11Å; M48-Y86 HydrophobicContact CE-CD1 4.34Å; M48-Y86 HydrophobicContact CE-CD2 4.05Å; M48-Y86 HydrophobicContact CE-CG 3.78Å; M48-W87 WeakPolarHBondContact CA-O 3.38Å; M48-V88 HydrophobicContact CE-CG2 3.81Å; M48-V88 HydrophobicContact CG-CG1 4.34Å; M48-V88 HydrophobicContact CG-CG2 4.12Å
49	E	93.8	Very high	93.6	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.023	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.4	176.8	177.1	179.6	-113.4	0	0	108.6	I51 A53 Q57 L58 Y86 W87	E49-I51 PolarHBondContact O-N 3.3Å; E49-A53 HydrophobicContact CG-CB 3.9Å; E49-Q57 PolarHBondContact OE1-N 3Å; E49-Q57 PolarHBondContact OE2-N 3.29Å; E49-L58 HydrophobicContact CB-CB 4.05Å; E49-L58 HydrophobicContact CB-CD2 3.94Å; E49-L58 VanDerWaalsContact OE2-CB 3.26Å; E49-L58 WeakPolarHBondContact OE2-CB 3.4Å; E49-L58 PolarHBondContact OE2-N 3.15Å; E49-Y86 CarbonylContact O-C 3.45Å; E49-Y86 VanDerWaalsContact O-CA 3.23Å; E49-Y86 WeakPolarHBondContact O-CA 3.12Å; E49-W87 PolarHBondContact N-O 3.43Å; E49-W87 PolarHBondContact O-N 3.21Å
50	N	92.6	Very high	93.6	Very high	59 Å²	59	58.4 Å²	58.4	32%	0.316	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.4	178.4	-170.4	-49.8	0	0	0	109.9	Y52 A53 Y86	N50-Y52 PolarHBondContact O-N 3.1Å; N50-Y52 VanDerWaalsContact O-N 3.12Å; N50-Y52 WeakPolarHBondContact OD1-CB 3.32Å; N50-Y52 VanDerWaalsContact OD1-CD2 3.29Å; N50-Y52 WeakPolarHBondContact OD1-CD2 3.22Å; N50-Y52 PolarHBondContact OD1-N 3.29Å; N50-A53 WeakPolarHBondContact O-CB 3.22Å; N50-A53 PolarHBondContact O-N 3.34Å; N50-Y86 HydrophobicContact CB-CD1 4.42Å; N50-Y86 HydrophobicContact CB-CE1 4.22Å
51	I	92.4	Very high	93.6	Very high	58 Å²	58	54.2 Å²	54.2	30%	0.297	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.2	178	63.2	177.5	0	0	0	113.2	E49 T85 W87	E49-I51 PolarHBondContact O-N 3.3Å; I51-T85 HydrophobicContact CD1-CG2 4.4Å; I51-T85 WeakPolarHBondContact CG1-O 3.39Å; I51-T85 PolarHBondContact N-O 3.39Å; I51-W87 HydrophobicContact CG2-CG 4.33Å
52	Y	91.3	Very high	93.6	Very high	182 Å²	182	53.2 Å²	53.2	71%	0.714	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	14.4	175.8	-49.8	-65.1	0	0	0	112.9	N50 K54 T85	N50-Y52 PolarHBondContact O-N 3.1Å; N50-Y52 VanDerWaalsContact O-N 3.12Å; N50-Y52 WeakPolarHBondContact OD1-CB 3.32Å; N50-Y52 VanDerWaalsContact OD1-CD2 3.29Å; N50-Y52 WeakPolarHBondContact OD1-CD2 3.22Å; N50-Y52 PolarHBondContact OD1-N 3.29Å; Y52-K54 PolarHBondContact O-N 3.48Å; Y52-T85 HydrophobicContact CE2-CG2 4.43Å
53	A	89.5	Confident	93.7	Very high	31 Å²	31	54.8 Å²	54.8	26%	0.256	26%	0.261	S	S	.	.			trans	-55.9	136.3	174.8	0	0	0	0	0	110.2	E49 N50 H55	E49-A53 HydrophobicContact CG-CB 3.9Å; N50-A53 WeakPolarHBondContact O-CB 3.22Å; N50-A53 PolarHBondContact O-N 3.34Å; A53-H55 PolarHBondContact O-N 3.03Å
54	K	87.1	Confident	93.7	Very high	187 Å²	187	50.9 Å²	50.9	81%	0.813	24%	0.243	S	C	*	.	S	Bend	trans	-60.4	-30.5	-177.6	-169.4	-179.7	177.5	-179.5	0	112.8	Y52	Y52-K54 PolarHBondContact O-N 3.48Å
55	H	85.7	Confident	93.7	Very high	88 Å²	88	51 Å²	51	41%	0.407	24%	0.244	S	C	.	.	S	Bend	trans	-136	81.8	-179.5	-59.2	-67.5	0	0	0	108.9	A53 Q57	A53-H55 PolarHBondContact O-N 3.03Å; H55-Q57 PolarHBondContact O-N 3.39Å
56	P	89.9	Confident	93.7	Very high	83 Å²	83	58.1 Å²	58.1	54%	0.539	27%	0.268	S	S	.	.			trans	-71.5	127	-176.7	28.6	-33.1	0	0	0	110.9
57	Q	91.3	Very high	93.7	Very high	17 Å²	17	61.4 Å²	61.4	8%	0.079	29%	0.285	C	S	.	.			trans	-124.6	-18	-177.2	-63.4	-172.8	0.4	0	0	113.5	F29 E49 H55 Q59 F60 E61 G160	F29-Q57 HydrophobicContact CD1-CG 4.4Å; F29-Q57 VanDerWaalsContact CE1-NE2 3.28Å; F29-Q57 VanDerWaalsContact CZ-CD 3.46Å; F29-Q57 VanDerWaalsContact CZ-NE2 3.32Å; E49-Q57 PolarHBondContact OE1-N 3Å; E49-Q57 PolarHBondContact OE2-N 3.29Å; H55-Q57 PolarHBondContact O-N 3.39Å; Q57-Q59 VanDerWaalsContact C-N 3.28Å; Q57-Q59 PolarHBondContact O-N 3.46Å; Q57-F60 WeakPolarHBondContact O-CB 3.25Å; Q57-F60 PolarHBondContact O-N 2.85Å; Q57-E61 PolarHBondContact O-N 3.09Å; Q57-G160 VanDerWaalsContact OE1-CA 3.23Å; Q57-G160 PolarHBondContact OE1-O 3.18Å; Q57-G160 VanDerWaalsContact OE1-O 3.09Å
58	L	93.8	Very high	93.8	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-32	-168.9	-165.1	61.2	0	0	0	113.1	K47 E49 H62 Y80 W87 L89	K47-L58 HydrophobicContact CB-CD1 4.27Å; K47-L58 HydrophobicContact CD-CD1 3.7Å; K47-L58 HydrophobicContact CG-CD1 3.87Å; E49-L58 HydrophobicContact CB-CB 4.05Å; E49-L58 HydrophobicContact CB-CD2 3.94Å; E49-L58 VanDerWaalsContact OE2-CB 3.26Å; E49-L58 WeakPolarHBondContact OE2-CB 3.4Å; E49-L58 PolarHBondContact OE2-N 3.15Å; L58-H62 WeakPolarHBondContact O-CB 3.12Å; L58-H62 PolarHBondContact O-N 2.92Å; L58-Y80 HydrophobicContact CG-CE2 4.31Å; L58-W87 HydrophobicContact CB-CB 4.44Å; L58-W87 HydrophobicContact CD2-CB 3.97Å; L58-W87 WeakPolarHBondContact CD2-O 3.5Å; L58-L89 HydrophobicContact CD1-CB 3.77Å; L58-L89 HydrophobicContact CD1-CD2 3.86Å; L58-L89 HydrophobicContact CD1-CG 4.49Å; L58-L89 HydrophobicContact CD2-CB 4.09Å; L58-L89 HydrophobicContact CG-CB 3.98Å
59	Q	94.5	Very high	93.9	Very high	98 Å²	98	64 Å²	64	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-42.7	174.2	-166.8	-174.3	26.1	0	0	112.3	Q57 K63 Y80	Q57-Q59 VanDerWaalsContact C-N 3.28Å; Q57-Q59 PolarHBondContact O-N 3.46Å; Q59-K63 WeakPolarHBondContact O-CG 3.32Å; Q59-K63 PolarHBondContact O-N 2.98Å; Q59-Y80 VanDerWaalsContact CA-OH 3.26Å; Q59-Y80 WeakPolarHBondContact CA-OH 3.44Å; Q59-Y80 WeakPolarHBondContact CB-OH 3.36Å; Q59-Y80 HydrophobicContact CG-CE1 4.15Å; Q59-Y80 VanDerWaalsContact CG-OH 3.3Å; Q59-Y80 WeakPolarHBondContact CG-OH 3.31Å
60	F	95.6	Very high	94	Very high	82 Å²	82	67.8 Å²	67.8	36%	0.36	35%	0.35	S	S	.	.	H	α-helix	trans	-68.2	-46	178.2	172.7	-98.5	0	0	0	110.3	Q57 H62 K63 V64 A162	Q57-F60 WeakPolarHBondContact O-CB 3.25Å; Q57-F60 PolarHBondContact O-N 2.85Å; F60-H62 VanDerWaalsContact C-N 3.33Å; F60-H62 PolarHBondContact O-N 2.94Å; F60-K63 WeakPolarHBondContact O-CA 3.45Å; F60-K63 WeakPolarHBondContact O-CB 3.27Å; F60-K63 PolarHBondContact O-N 2.92Å; F60-V64 HydrophobicContact CD1-CG2 4.19Å; F60-V64 HydrophobicContact CE1-CG2 3.68Å; F60-V64 HydrophobicContact CE2-CG2 4.24Å; F60-V64 HydrophobicContact CZ-CG2 3.7Å; F60-V64 PolarHBondContact O-N 3.46Å; F60-A162 HydrophobicContact CE1-CB 4.11Å; F60-A162 WeakPolarHBondContact CE1-O 3.06Å; F60-A162 WeakPolarHBondContact CZ-O 3.47Å
61	E	96.2	Very high	94.2	Very high	3 Å²	3	66.1 Å²	66.1	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-55.6	-45.6	176	-177.3	176.9	-177.2	0	0	111.7	K47 Q57 K63 V64 Y65 L89 F159	K47-E61 IonicContact NZ-OE1 2.78Å; K47-E61 PolarHBondContact NZ-OE1 2.87Å; K47-E61 IonicContact NZ-OE2 2.98Å; K47-E61 PolarHBondContact NZ-OE2 3.49Å; Q57-E61 PolarHBondContact O-N 3.09Å; E61-K63 VanDerWaalsContact C-N 3.33Å; E61-K63 PolarHBondContact O-N 3.46Å; E61-V64 WeakPolarHBondContact O-CB 3.42Å; E61-V64 PolarHBondContact O-N 2.99Å; E61-V64 VanDerWaalsContact O-N 3.1Å; E61-Y65 HydrophobicContact CG-CD2 3.9Å; E61-Y65 HydrophobicContact CG-CE2 3.54Å; E61-Y65 WeakPolarHBondContact O-CD2 3.38Å; E61-Y65 PolarHBondContact O-N 2.94Å; E61-Y65 WeakPolarHBondContact OE1-CE2 3.19Å; E61-L89 HydrophobicContact CG-CD2 4.46Å; E61-F159 HydrophobicContact CG-CB 4.13Å
62	H	96.9	Very high	94.5	Very high	29 Å²	29	68.6 Å²	68.6	13%	0.134	36%	0.358	C	S	.	.	H	α-helix	trans	-57.2	-42.8	173.2	167.4	-121.4	0	0	0	112.7	L58 F60 V64 Y65 R66 Y80 L89	L58-H62 WeakPolarHBondContact O-CB 3.12Å; L58-H62 PolarHBondContact O-N 2.92Å; F60-H62 VanDerWaalsContact C-N 3.33Å; F60-H62 PolarHBondContact O-N 2.94Å; H62-V64 VanDerWaalsContact C-N 3.29Å; H62-V64 PolarHBondContact O-N 2.69Å; H62-Y65 PolarHBondContact O-N 2.74Å; H62-R66 WeakPolarHBondContact NE2-CD 3.35Å; H62-R66 WeakPolarHBondContact O-CG 3.47Å; H62-R66 PolarHBondContact O-N 2.9Å; H62-Y80 HydrophobicContact CB-CD1 4.48Å; H62-Y80 HydrophobicContact CB-CD2 3.72Å; H62-Y80 HydrophobicContact CB-CE2 4.19Å; H62-Y80 HydrophobicContact CB-CG 3.88Å; H62-Y80 AromaticContact CE1-CD1 3.79Å; H62-Y80 AromaticContact CE1-CG 3.83Å; H62-Y80 AromaticContact CG-CD1 3.96Å; H62-Y80 AromaticContact CG-CD2 3.87Å; H62-Y80 AromaticContact CG-CG 3.48Å; H62-Y80 VanDerWaalsContact CG-CG 3.48Å; H62-Y80 AromaticContact ND1-CD1 3.33Å; H62-Y80 VanDerWaalsContact ND1-CD1 3.33Å; H62-Y80 WeakPolarHBondContact ND1-CD1 3.2Å; H62-Y80 AromaticContact ND1-CG 3.35Å; H62-L89 HydrophobicContact CB-CD1 4.06Å; H62-L89 HydrophobicContact CB-CD2 4.49Å
63	K	97.1	Very high	94.8	Very high	106 Å²	106	60.1 Å²	60.1	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-36.9	176.4	-69.8	172.9	-176.5	173.3	0	111.7	Q59 F60 E61 R66 L67	Q59-K63 WeakPolarHBondContact O-CG 3.32Å; Q59-K63 PolarHBondContact O-N 2.98Å; F60-K63 WeakPolarHBondContact O-CA 3.45Å; F60-K63 WeakPolarHBondContact O-CB 3.27Å; F60-K63 PolarHBondContact O-N 2.92Å; E61-K63 VanDerWaalsContact C-N 3.33Å; E61-K63 PolarHBondContact O-N 3.46Å; K63-R66 PolarHBondContact O-N 3.25Å; K63-L67 PolarHBondContact O-N 3.22Å; K63-L67 VanDerWaalsContact O-N 3.1Å
64	V	98	Very high	95.2	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.03	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-46.8	175.6	174.3	0	0	0	0	111	F60 E61 H62 R66 L67 L68 L133 F159 A162	F60-V64 HydrophobicContact CD1-CG2 4.19Å; F60-V64 HydrophobicContact CE1-CG2 3.68Å; F60-V64 HydrophobicContact CE2-CG2 4.24Å; F60-V64 HydrophobicContact CZ-CG2 3.7Å; F60-V64 PolarHBondContact O-N 3.46Å; E61-V64 WeakPolarHBondContact O-CB 3.42Å; E61-V64 PolarHBondContact O-N 2.99Å; E61-V64 VanDerWaalsContact O-N 3.1Å; H62-V64 VanDerWaalsContact C-N 3.29Å; H62-V64 PolarHBondContact O-N 2.69Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.47Å; V64-L67 WeakPolarHBondContact O-CB 3.45Å; V64-L67 PolarHBondContact O-N 3.01Å; V64-L68 HydrophobicContact CG1-CD1 3.61Å; V64-L68 HydrophobicContact CG1-CG 4.35Å; V64-L68 WeakPolarHBondContact O-CG 3.49Å; V64-L68 PolarHBondContact O-N 2.92Å; V64-L133 HydrophobicContact CB-CD1 4.41Å; V64-L133 HydrophobicContact CG1-CD1 3.64Å; V64-L133 HydrophobicContact CG2-CD1 4.16Å; V64-F159 HydrophobicContact CB-CB 3.95Å; V64-F159 HydrophobicContact CB-CG 4.34Å; V64-F159 HydrophobicContact CG1-CB 3.59Å; V64-F159 HydrophobicContact CG1-CD1 3.63Å; V64-F159 HydrophobicContact CG1-CD2 4.12Å; V64-F159 HydrophobicContact CG1-CE1 4.34Å; V64-F159 HydrophobicContact CG1-CG 3.5Å; V64-F159 VanDerWaalsContact CG1-CG 3.5Å; V64-F159 HydrophobicContact CG2-CB 4.45Å; V64-A162 HydrophobicContact CG2-CB 4.47Å
65	Y	98.1	Very high	95.7	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-41.7	174.6	-79.3	-64.1	0	0	0	112.5	E61 H62 L67 L68 A69 I74 P75 L89 M91 I157 D158 F159	E61-Y65 HydrophobicContact CG-CD2 3.9Å; E61-Y65 HydrophobicContact CG-CE2 3.54Å; E61-Y65 WeakPolarHBondContact O-CD2 3.38Å; E61-Y65 PolarHBondContact O-N 2.94Å; E61-Y65 WeakPolarHBondContact OE1-CE2 3.19Å; H62-Y65 PolarHBondContact O-N 2.74Å; Y65-L67 VanDerWaalsContact C-N 3.32Å; Y65-L67 PolarHBondContact O-N 2.74Å; Y65-L68 CarbonylContact O-C 3.58Å; Y65-L68 PolarHBondContact O-N 3.3Å; Y65-A69 PolarHBondContact O-N 3.13Å; Y65-I74 HydrophobicContact CD1-CG2 3.84Å; Y65-I74 HydrophobicContact CE1-CG2 4.28Å; Y65-P75 HydrophobicContact CD1-CG 4.36Å; Y65-P75 HydrophobicContact CE1-CG 3.63Å; Y65-L89 HydrophobicContact CD2-CD2 3.93Å; Y65-L89 HydrophobicContact CE2-CD2 3.98Å; Y65-M91 HydrophobicContact CD2-CE 4.22Å; Y65-M91 HydrophobicContact CE2-CE 3.53Å; Y65-I157 WeakPolarHBondContact OH-CA 3.33Å; Y65-D158 PolarHBondContact OH-N 3.46Å; Y65-F159 HydrophobicContact CD1-CD2 4.14Å; Y65-F159 HydrophobicContact CD1-CE2 4.11Å; Y65-F159 AromaticContact CE1-CD2 3.66Å; Y65-F159 HydrophobicContact CE1-CD2 3.66Å; Y65-F159 AromaticContact CE1-CE2 3.57Å; Y65-F159 HydrophobicContact CE1-CE2 3.57Å; Y65-F159 HydrophobicContact CE2-CD2 4.18Å; Y65-F159 AromaticContact CZ-CD2 3.68Å
66	R	97	Very high	96.3	Very high	159 Å²	159	51.7 Å²	51.7	60%	0.6	29%	0.285	S	S	*	.	H	α-helix	trans	-62.4	-38	174.9	-69.9	-164.1	-50.3	164.3	9.1	112.9	H62 K63 V64 L68 A69	H62-R66 WeakPolarHBondContact NE2-CD 3.35Å; H62-R66 WeakPolarHBondContact O-CG 3.47Å; H62-R66 PolarHBondContact O-N 2.9Å; K63-R66 PolarHBondContact O-N 3.25Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.47Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-A69 WeakPolarHBondContact O-CB 3.27Å; R66-A69 PolarHBondContact O-N 2.7Å
67	L	96.7	Very high	96.6	Very high	70 Å²	70	49 Å²	49	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-67.9	-32.9	177.3	-178.7	64.3	0	0	0	112.4	K63 V64 Y65 K131 L133	K63-L67 PolarHBondContact O-N 3.22Å; K63-L67 VanDerWaalsContact O-N 3.1Å; V64-L67 WeakPolarHBondContact O-CB 3.45Å; V64-L67 PolarHBondContact O-N 3.01Å; Y65-L67 VanDerWaalsContact C-N 3.32Å; Y65-L67 PolarHBondContact O-N 2.74Å; L67-K131 HydrophobicContact CD2-CB 4.13Å; L67-K131 HydrophobicContact CG-CB 4.23Å; L67-L133 HydrophobicContact CD2-CD1 3.83Å; L67-L133 HydrophobicContact CD2-CG 4.37Å
68	L	97.8	Very high	96.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.8	-180	-65.9	169.6	0	0	0	113.3	V64 Y65 R66 G70 A71 I74 V128 K131 F159	V64-L68 HydrophobicContact CG1-CD1 3.61Å; V64-L68 HydrophobicContact CG1-CG 4.35Å; V64-L68 WeakPolarHBondContact O-CG 3.49Å; V64-L68 PolarHBondContact O-N 2.92Å; Y65-L68 CarbonylContact O-C 3.58Å; Y65-L68 PolarHBondContact O-N 3.3Å; R66-L68 VanDerWaalsContact C-N 3.3Å; L68-G70 PolarHBondContact O-N 2.89Å; L68-A71 WeakPolarHBondContact O-CB 3.26Å; L68-A71 PolarHBondContact O-N 3.14Å; L68-I74 HydrophobicContact CB-CG1 4.17Å; L68-I74 HydrophobicContact CB-CG2 3.88Å; L68-I74 HydrophobicContact CD1-CD1 4.25Å; L68-V128 HydrophobicContact CD1-CG2 4.06Å; L68-V128 HydrophobicContact CD2-CG2 4.1Å; L68-K131 HydrophobicContact CD2-CB 3.98Å; L68-K131 HydrophobicContact CD2-CG 3.61Å; L68-F159 HydrophobicContact CD1-CD1 4.19Å; L68-F159 HydrophobicContact CD1-CE1 3.62Å; L68-F159 HydrophobicContact CD1-CE2 4Å; L68-F159 HydrophobicContact CD1-CZ 3.53Å
69	A	97.2	Very high	97.1	Very high	74 Å²	74	54.7 Å²	54.7	61%	0.612	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	135.6	-178	0	0	0	0	0	111.5	Y65 R66 A71	Y65-A69 PolarHBondContact O-N 3.13Å; R66-A69 WeakPolarHBondContact O-CB 3.27Å; R66-A69 PolarHBondContact O-N 2.7Å; A69-A71 VanDerWaalsContact C-N 3.27Å; A69-A71 PolarHBondContact O-N 2.76Å
70	G	95.5	Very high	97.2	Very high	84 Å²	84	51.9 Å²	51.9	87%	0.866	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-9.4	-176.3	0	0	0	0	0	115	L68	L68-G70 PolarHBondContact O-N 2.89Å
71	A	97.3	Very high	97.2	Very high	25 Å²	25	48.6 Å²	48.6	21%	0.207	27%	0.265	C	S	.	.	S	Bend	trans	-70.7	142	172.5	0	0	0	0	0	111.2	L68 A69 G73 I74	L68-A71 WeakPolarHBondContact O-CB 3.26Å; L68-A71 PolarHBondContact O-N 3.14Å; A69-A71 VanDerWaalsContact C-N 3.27Å; A69-A71 PolarHBondContact O-N 2.76Å; A71-G73 PolarHBondContact O-N 3.24Å; A71-I74 HydrophobicContact CB-CB 4.49Å; A71-I74 HydrophobicContact CB-CG1 3.87Å; A71-I74 PolarHBondContact O-N 3.24Å
72	I	97.6	Very high	97.2	Very high	109 Å²	109	52.4 Å²	52.4	56%	0.559	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	129.5	179.1	-61	174.4	0	0	0	109.6	R124	I72-R124 WeakPolarHBondContact O-CD 3.13Å; I72-R124 PolarHBondContact O-NE 3.36Å
73	G	98.2	Very high	97	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	30.7	178.6	0	0	0	0	0	114	A71 V154 Y155 M156	A71-G73 PolarHBondContact O-N 3.24Å; G73-V154 WeakPolarHBondContact CA-O 3.45Å; G73-Y155 VanDerWaalsContact C-CD1 3.48Å; G73-Y155 CarbonylContact O-C 3.5Å; G73-Y155 WeakPolarHBondContact O-CA 3.46Å; G73-M156 PolarHBondContact O-N 3.16Å
74	I	98.4	Very high	96.7	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.082	30%	0.297	C	S	.	.			trans	-115.3	124	164.7	-59.1	-62.7	0	0	0	107	Y65 L68 A71 M156 F159	Y65-I74 HydrophobicContact CD1-CG2 3.84Å; Y65-I74 HydrophobicContact CE1-CG2 4.28Å; L68-I74 HydrophobicContact CB-CG1 4.17Å; L68-I74 HydrophobicContact CB-CG2 3.88Å; L68-I74 HydrophobicContact CD1-CD1 4.25Å; A71-I74 HydrophobicContact CB-CB 4.49Å; A71-I74 HydrophobicContact CB-CG1 3.87Å; A71-I74 PolarHBondContact O-N 3.24Å; I74-M156 HydrophobicContact CD1-CB 4.24Å; I74-F159 HydrophobicContact CD1-CE2 4.25Å; I74-F159 HydrophobicContact CD1-CZ 3.79Å
75	P	97.7	Very high	96.4	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.013	31%	0.314	C	S	.	.			trans	-66	147.1	177	28.4	-34.7	0	0	0	110.6	Y65 A77 D92 L94 M156 I157	Y65-P75 HydrophobicContact CD1-CG 4.36Å; Y65-P75 HydrophobicContact CE1-CG 3.63Å; P75-A77 PolarHBondContact O-N 3.43Å; P75-D92 HydrophobicContact CB-CB 4.02Å; P75-L94 HydrophobicContact CB-CD1 4.19Å; P75-L94 HydrophobicContact CG-CD1 4.25Å; P75-M156 WeakPolarHBondContact CD-O 3.43Å; P75-I157 HydrophobicContact CG-CG2 4.1Å
76	Q	97.3	Very high	96.2	Very high	111 Å²	111	60 Å²	60	52%	0.519	32%	0.322	S	S	.	.			trans	-74.5	124.5	176.9	-171.5	179.5	-1.2	0	0	110.3	R78 M91 D92	Q76-R78 PolarHBondContact O-N 2.97Å; Q76-M91 WeakPolarHBondContact O-CA 3.24Å; Q76-M91 WeakPolarHBondContact O-CB 3.46Å; Q76-D92 WeakPolarHBondContact CB-OD2 3.43Å; Q76-D92 PolarHBondContact N-OD2 2.88Å; Q76-D92 PolarHBondContact O-N 3.45Å; Q76-D92 VanDerWaalsContact O-N 3.17Å
77	A	97.3	Very high	96.2	Very high	27 Å²	27	55.9 Å²	55.9	22%	0.223	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	109.7	162.9	0	0	0	0	0	108.9	P75 L89	P75-A77 PolarHBondContact O-N 3.43Å; A77-L89 HydrophobicContact CB-CD1 4Å
78	R	96.5	Very high	96.2	Very high	82 Å²	82	52.6 Å²	52.6	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-35.8	-175.6	-59.2	-62.3	-172.6	107.6	8	112.2	E42 Q76 V90 D92	E42-R78 IonicContact OE1-CZ 2.76Å; E42-R78 VanDerWaalsContact OE1-CZ 3.3Å; E42-R78 IonicContact OE1-NH1 2.76Å; E42-R78 PolarHBondContact OE1-NH1 3.07Å; E42-R78 IonicContact OE1-NH2 3.98Å; E42-R78 PolarHBondContact OE1-NH2 3.42Å; E42-R78 IonicContact OE2-NH1 2.99Å; E42-R78 PolarHBondContact OE2-NH1 3.29Å; Q76-R78 PolarHBondContact O-N 2.97Å; R78-V90 HydrophobicContact CB-CG1 4.2Å; R78-V90 PolarHBondContact N-O 3.04Å; R78-D92 IonicContact CZ-OD1 3.05Å; R78-D92 IonicContact NE-OD1 3.26Å; R78-D92 PolarHBondContact NE-OD1 2.78Å; R78-D92 IonicContact NH2-OD1 2.7Å; R78-D92 PolarHBondContact NH2-OD1 3.01Å
79	W	97.3	Very high	96.1	Very high	56 Å²	56	52.5 Å²	52.5	21%	0.212	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	149.3	178.4	-177.6	86.8	0	0	0	111.2	V14 N15 Y18 G81 V88 V90	V14-W79 HydrophobicContact CG1-CE3 3.78Å; V14-W79 HydrophobicContact CG1-CH2 3.93Å; V14-W79 HydrophobicContact CG1-CZ3 3.27Å; N15-W79 HydrophobicContact CB-CD2 3.88Å; N15-W79 VanDerWaalsContact CB-CE2 3.49Å; N15-W79 HydrophobicContact CB-CE3 4.33Å; N15-W79 HydrophobicContact CB-CG 4.38Å; N15-W79 HydrophobicContact CB-CH2 4.06Å; N15-W79 HydrophobicContact CB-CZ2 3.6Å; N15-W79 HydrophobicContact CB-CZ3 4.4Å; N15-W79 VanDerWaalsContact CG-CE2 3.44Å; N15-W79 VanDerWaalsContact OD1-CE2 3.31Å; N15-W79 WeakPolarHBondContact OD1-CZ2 3.48Å; N15-W79 PolarHBondContact OD1-NE1 3.37Å; Y18-W79 HydrophobicContact CE2-CB 4.15Å; W79-G81 VanDerWaalsContact CH2-CA 3.45Å; W79-V88 HydrophobicContact CZ3-CB 3.94Å; W79-V88 HydrophobicContact CZ3-CG1 4.11Å; W79-V90 HydrophobicContact CB-CB 4.17Å; W79-V90 HydrophobicContact CB-CG2 4.4Å; W79-V90 HydrophobicContact CE3-CG2 3.98Å; W79-V90 PolarHBondContact N-O 2.99Å; W79-V90 PolarHBondContact O-N 3.44Å
80	Y	97.3	Very high	96.1	Very high	40 Å²	40	49 Å²	49	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135.9	173	171.8	-97	0	0	0	110.1	L58 Q59 H62 W87 V88 L89	L58-Y80 HydrophobicContact CG-CE2 4.31Å; Q59-Y80 VanDerWaalsContact CA-OH 3.26Å; Q59-Y80 WeakPolarHBondContact CA-OH 3.44Å; Q59-Y80 WeakPolarHBondContact CB-OH 3.36Å; Q59-Y80 HydrophobicContact CG-CE1 4.15Å; Q59-Y80 VanDerWaalsContact CG-OH 3.3Å; Q59-Y80 WeakPolarHBondContact CG-OH 3.31Å; H62-Y80 HydrophobicContact CB-CD1 4.48Å; H62-Y80 HydrophobicContact CB-CD2 3.72Å; H62-Y80 HydrophobicContact CB-CE2 4.19Å; H62-Y80 HydrophobicContact CB-CG 3.88Å; H62-Y80 AromaticContact CE1-CD1 3.79Å; H62-Y80 AromaticContact CE1-CG 3.83Å; H62-Y80 AromaticContact CG-CD1 3.96Å; H62-Y80 AromaticContact CG-CD2 3.87Å; H62-Y80 AromaticContact CG-CG 3.48Å; H62-Y80 VanDerWaalsContact CG-CG 3.48Å; H62-Y80 AromaticContact ND1-CD1 3.33Å; H62-Y80 VanDerWaalsContact ND1-CD1 3.33Å; H62-Y80 WeakPolarHBondContact ND1-CD1 3.2Å; H62-Y80 AromaticContact ND1-CG 3.35Å; Y80-W87 HydrophobicContact CE1-CE3 4.22Å; Y80-W87 HydrophobicContact CE1-CZ3 4.2Å; Y80-W87 HydrophobicContact CE2-CE3 4.3Å; Y80-W87 AromaticContact CZ-CE3 3.64Å; Y80-W87 WeakPolarHBondContact OH-CZ3 3.34Å; Y80-V88 WeakPolarHBondContact CA-O 3.36Å; Y80-V88 WeakPolarHBondContact CD2-O 3.43Å; Y80-L89 HydrophobicContact CD2-CB 4.3Å; Y80-L89 HydrophobicContact CD2-CD1 4.33Å
81	G	96.7	Very high	96.2	Very high	13 Å²	13	45.8 Å²	45.8	13%	0.134	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-158.1	177.8	0	0	0	0	0	112	W79 V88	W79-G81 VanDerWaalsContact CH2-CA 3.45Å; G81-V88 PolarHBondContact N-O 3.25Å; G81-V88 PolarHBondContact O-N 3.46Å
82	T	94.9	Very high	96.2	Very high	82 Å²	82	46.1 Å²	46.1	50%	0.503	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.4	178	52.2	0	0	0	0	111.1	Y86 W87	T82-Y86 CarbonylContact C-O 3.51Å; T82-Y86 VanDerWaalsContact CA-O 3.29Å; T82-Y86 WeakPolarHBondContact CA-O 3.33Å; T82-W87 HydrophobicContact CG2-CD2 4.05Å; T82-W87 HydrophobicContact CG2-CE3 3.44Å; T82-W87 VanDerWaalsContact CG2-CE3 3.44Å; T82-W87 HydrophobicContact CG2-CH2 3.76Å; T82-W87 HydrophobicContact CG2-CZ2 4.31Å; T82-W87 HydrophobicContact CG2-CZ3 3.3Å
83	C	93.2	Very high	96.3	Very high	17 Å²	17	41.9 Å²	41.9	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	117.8	166.4	-177.6	0	0	0	0	108.4	V14 T85 Y86 V88	V14-C83 HydrophobicContact CG2-CB 4.27Å; C83-T85 PolarHBondContact O-N 2.91Å; C83-Y86 PolarHBondContact N-O 3.44Å; C83-Y86 PolarHBondContact O-N 2.85Å; C83-V88 HydrophobicContact CB-CG2 3.83Å
84	R	90.8	Very high	96.2	Very high	178 Å²	178	42.9 Å²	42.9	67%	0.672	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	-123	-171.8	-54.9	179.6	179.6	-178.9	1	110.4
85	T	92	Very high	96.2	Very high	61 Å²	61	42.9 Å²	42.9	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	26.3	179.1	54.2	0	0	0	0	113.6	I51 Y52 C83	I51-T85 HydrophobicContact CD1-CG2 4.4Å; I51-T85 WeakPolarHBondContact CG1-O 3.39Å; I51-T85 PolarHBondContact N-O 3.39Å; Y52-T85 HydrophobicContact CE2-CG2 4.43Å; C83-T85 PolarHBondContact O-N 2.91Å
86	Y	94.6	Very high	96.2	Very high	48 Å²	48	44.9 Å²	44.9	19%	0.188	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.1	-178.9	-64.1	-95.1	0	0	0	112.3	R9 M48 E49 N50 T82 C83	R9-Y86 PolarHBondContact NH2-OH 3.07Å; M48-Y86 HydrophobicContact CB-CD1 4.11Å; M48-Y86 HydrophobicContact CE-CD1 4.34Å; M48-Y86 HydrophobicContact CE-CD2 4.05Å; M48-Y86 HydrophobicContact CE-CG 3.78Å; E49-Y86 CarbonylContact O-C 3.45Å; E49-Y86 VanDerWaalsContact O-CA 3.23Å; E49-Y86 WeakPolarHBondContact O-CA 3.12Å; N50-Y86 HydrophobicContact CB-CD1 4.42Å; N50-Y86 HydrophobicContact CB-CE1 4.22Å; T82-Y86 CarbonylContact C-O 3.51Å; T82-Y86 VanDerWaalsContact CA-O 3.29Å; T82-Y86 WeakPolarHBondContact CA-O 3.33Å; C83-Y86 PolarHBondContact N-O 3.44Å; C83-Y86 PolarHBondContact O-N 2.85Å
87	W	95.4	Very high	96.2	Very high	74 Å²	74	40 Å²	40	28%	0.28	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.8	153	-69.1	113.3	0	0	0	108.6	M48 E49 I51 L58 Y80 T82	M48-W87 WeakPolarHBondContact CA-O 3.38Å; E49-W87 PolarHBondContact N-O 3.43Å; E49-W87 PolarHBondContact O-N 3.21Å; I51-W87 HydrophobicContact CG2-CG 4.33Å; L58-W87 HydrophobicContact CB-CB 4.44Å; L58-W87 HydrophobicContact CD2-CB 3.97Å; L58-W87 WeakPolarHBondContact CD2-O 3.5Å; Y80-W87 HydrophobicContact CE1-CE3 4.22Å; Y80-W87 HydrophobicContact CE1-CZ3 4.2Å; Y80-W87 HydrophobicContact CE2-CE3 4.3Å; Y80-W87 AromaticContact CZ-CE3 3.64Å; Y80-W87 WeakPolarHBondContact OH-CZ3 3.34Å; T82-W87 HydrophobicContact CG2-CD2 4.05Å; T82-W87 HydrophobicContact CG2-CE3 3.44Å; T82-W87 VanDerWaalsContact CG2-CE3 3.44Å; T82-W87 HydrophobicContact CG2-CH2 3.76Å; T82-W87 HydrophobicContact CG2-CZ2 4.31Å; T82-W87 HydrophobicContact CG2-CZ3 3.3Å
88	V	96.5	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132	-174.4	-177.3	0	0	0	0	110	V14 V46 K47 M48 W79 Y80 G81 C83 V90	V14-V88 HydrophobicContact CG1-CB 4.38Å; V14-V88 HydrophobicContact CG1-CG1 3.75Å; V14-V88 HydrophobicContact CG2-CG1 4.27Å; V46-V88 HydrophobicContact CG1-CG1 3.45Å; V46-V88 VanDerWaalsContact CG1-CG1 3.45Å; K47-V88 WeakPolarHBondContact O-CA 3.35Å; M48-V88 HydrophobicContact CE-CG2 3.81Å; M48-V88 HydrophobicContact CG-CG1 4.34Å; M48-V88 HydrophobicContact CG-CG2 4.12Å; W79-V88 HydrophobicContact CZ3-CB 3.94Å; W79-V88 HydrophobicContact CZ3-CG1 4.11Å; Y80-V88 WeakPolarHBondContact CA-O 3.36Å; Y80-V88 WeakPolarHBondContact CD2-O 3.43Å; G81-V88 PolarHBondContact N-O 3.25Å; G81-V88 PolarHBondContact O-N 3.46Å; C83-V88 HydrophobicContact CB-CG2 3.83Å; V88-V90 HydrophobicContact CG1-CG2 4.32Å
89	L	97	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.2	173.8	178.1	59.6	0	0	0	108.5	K47 L58 E61 H62 Y65 A77 Y80 M91	K47-L89 HydrophobicContact CB-CB 4.45Å; K47-L89 PolarHBondContact N-O 3.17Å; K47-L89 PolarHBondContact O-N 3.25Å; L58-L89 HydrophobicContact CD1-CB 3.77Å; L58-L89 HydrophobicContact CD1-CD2 3.86Å; L58-L89 HydrophobicContact CD1-CG 4.49Å; L58-L89 HydrophobicContact CD2-CB 4.09Å; L58-L89 HydrophobicContact CG-CB 3.98Å; E61-L89 HydrophobicContact CG-CD2 4.46Å; H62-L89 HydrophobicContact CB-CD1 4.06Å; H62-L89 HydrophobicContact CB-CD2 4.49Å; Y65-L89 HydrophobicContact CD2-CD2 3.93Å; Y65-L89 HydrophobicContact CE2-CD2 3.98Å; A77-L89 HydrophobicContact CB-CD1 4Å; Y80-L89 HydrophobicContact CD2-CB 4.3Å; Y80-L89 HydrophobicContact CD2-CD1 4.33Å; L89-M91 HydrophobicContact CD2-CE 3.29Å; L89-M91 HydrophobicContact CG-CE 3.6Å
90	V	97.5	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.2	174.5	-177.1	0	0	0	0	108.3	V14 Y18 V44 A45 V46 R78 W79 V88	V14-V90 HydrophobicContact CG1-CG2 4.23Å; Y18-V90 HydrophobicContact CD1-CG1 3.91Å; Y18-V90 HydrophobicContact CD2-CG1 4.33Å; Y18-V90 HydrophobicContact CD2-CG2 4.05Å; Y18-V90 HydrophobicContact CE1-CG1 3.83Å; Y18-V90 HydrophobicContact CE2-CG1 4.26Å; Y18-V90 HydrophobicContact CE2-CG2 4.4Å; Y18-V90 HydrophobicContact CG-CG1 4.15Å; Y18-V90 HydrophobicContact CG-CG2 4.28Å; V44-V90 HydrophobicContact CB-CG1 3.85Å; V44-V90 HydrophobicContact CG1-CG1 4.17Å; V44-V90 HydrophobicContact CG2-CG1 3.75Å; A45-V90 WeakPolarHBondContact O-CA 3.47Å; V46-V90 HydrophobicContact CG1-CG2 4.33Å; V46-V90 HydrophobicContact CG2-CG2 4.29Å; R78-V90 HydrophobicContact CB-CG1 4.2Å; R78-V90 PolarHBondContact N-O 3.04Å; W79-V90 HydrophobicContact CB-CB 4.17Å; W79-V90 HydrophobicContact CB-CG2 4.4Å; W79-V90 HydrophobicContact CE3-CG2 3.98Å; W79-V90 PolarHBondContact N-O 2.99Å; W79-V90 PolarHBondContact O-N 3.44Å; V88-V90 HydrophobicContact CG1-CG2 4.32Å
91	M	97.6	Very high	96.4	Very high	16 Å²	16	35 Å²	35	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	171.2	-178.6	62.3	-180	60.9	0	0	111.9	V44 A45 Y65 Q76 L89 L93	V44-M91 WeakPolarHBondContact CB-O 3.41Å; A45-M91 HydrophobicContact CB-CG 3.99Å; A45-M91 PolarHBondContact N-O 3.23Å; A45-M91 PolarHBondContact O-N 2.76Å; Y65-M91 HydrophobicContact CD2-CE 4.22Å; Y65-M91 HydrophobicContact CE2-CE 3.53Å; Q76-M91 WeakPolarHBondContact O-CA 3.24Å; Q76-M91 WeakPolarHBondContact O-CB 3.46Å; L89-M91 HydrophobicContact CD2-CE 3.29Å; L89-M91 HydrophobicContact CG-CE 3.6Å; M91-L93 PolarHBondContact O-N 3.26Å
92	D	97.4	Very high	96.5	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	133.6	173.1	-64.5	-20.7	0	0	0	111.2	P75 Q76 R78	P75-D92 HydrophobicContact CB-CB 4.02Å; Q76-D92 WeakPolarHBondContact CB-OD2 3.43Å; Q76-D92 PolarHBondContact N-OD2 2.88Å; Q76-D92 PolarHBondContact O-N 3.45Å; Q76-D92 VanDerWaalsContact O-N 3.17Å; R78-D92 IonicContact CZ-OD1 3.05Å; R78-D92 IonicContact NE-OD1 3.26Å; R78-D92 PolarHBondContact NE-OD1 2.78Å; R78-D92 IonicContact NH2-OD1 2.7Å; R78-D92 PolarHBondContact NH2-OD1 3.01Å
93	L	97.9	Very high	96.6	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.11	17%	0.173	C	C	.	.			trans	-71.9	128.6	166.8	-175.7	67.4	0	0	0	109	I24 L34 E43 A45 M91 I147	I24-L93 HydrophobicContact CD1-CD1 3.77Å; L34-L93 HydrophobicContact CD1-CD1 4.28Å; L34-L93 HydrophobicContact CD1-CD2 3.67Å; E43-L93 HydrophobicContact CB-CD2 3.79Å; A45-L93 HydrophobicContact CB-CD1 4.19Å; M91-L93 PolarHBondContact O-N 3.26Å; L93-I147 WeakPolarHBondContact O-CD1 3.46Å
94	L	97.9	Very high	96.9	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.131	18%	0.18	C	C	.	.			trans	-108.5	172.3	176.4	-63.1	176.9	0	0	0	110.7	P75 L144 Y155 I157	P75-L94 HydrophobicContact CB-CD1 4.19Å; P75-L94 HydrophobicContact CG-CD1 4.25Å; L94-L144 HydrophobicContact CB-CB 4.04Å; L94-L144 HydrophobicContact CB-CD2 3.8Å; L94-L144 HydrophobicContact CD1-CB 4Å; L94-L144 HydrophobicContact CD1-CD2 4.21Å; L94-Y155 HydrophobicContact CD1-CD1 4.39Å; L94-Y155 HydrophobicContact CD1-CG 4.07Å; L94-Y155 HydrophobicContact CD2-CD1 3.85Å; L94-Y155 HydrophobicContact CD2-CD2 3.9Å; L94-Y155 HydrophobicContact CD2-CE1 4.15Å; L94-Y155 HydrophobicContact CD2-CE2 4.21Å; L94-Y155 HydrophobicContact CD2-CG 3.72Å; L94-I157 HydrophobicContact CD1-CG2 3.68Å
95	G	97.4	Very high	97.2	Very high	15 Å²	15	28.3 Å²	28.3	16%	0.155	15%	0.151	C	C	.	.			trans	-82.9	-162.6	176	0	0	0	0	0	112.3	L144 M145	G95-L144 WeakPolarHBondContact O-CD2 3.45Å; G95-M145 VanDerWaalsContact CA-O 3.27Å; G95-M145 WeakPolarHBondContact CA-O 3.24Å; G95-M145 PolarHBondContact N-O 2.95Å
96	P	96.9	Very high	97.4	Very high	44 Å²	44	30.8 Å²	30.8	29%	0.286	17%	0.17	S	C	.	.			trans	-64	152.3	-179.9	27.9	-35.2	0	0	0	112.1	D100 L101 M145	P96-D100 HydrophobicContact CB-CB 3.86Å; P96-L101 HydrophobicContact CB-CD2 4.24Å; P96-L101 HydrophobicContact CB-CG 4.08Å; P96-L101 HydrophobicContact CG-CD1 4.11Å; P96-L101 HydrophobicContact CG-CD2 3.63Å; P96-L101 HydrophobicContact CG-CG 3.8Å; P96-M145 PolarHBondContact O-N 3.48Å
97	S	98	Very high	97.5	Very high	8 Å²	8	32.5 Å²	32.5	6%	0.056	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-69	163.6	170.2	70.6	0	0	0	0	111.2	E99 D100 L101 F143	S97-E99 PolarHBondContact O-N 3.48Å; S97-E99 PolarHBondContact OG-N 3.09Å; S97-D100 WeakPolarHBondContact CB-OD2 3.35Å; S97-D100 PolarHBondContact N-OD2 2.93Å; S97-D100 PolarHBondContact O-N 3.22Å; S97-D100 PolarHBondContact OG-N 3.3Å; S97-D100 VanDerWaalsContact OG-N 3.09Å; S97-D100 PolarHBondContact OG-OD2 2.95Å; S97-L101 WeakPolarHBondContact O-CG 3.35Å; S97-L101 PolarHBondContact O-N 3.41Å; S97-F143 CarbonylContact C-O 3.48Å; S97-F143 WeakPolarHBondContact CA-O 3.23Å
98	L	98.7	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-26.1	172.4	-63.8	-175.7	0	0	0	111.6	L101 F102 L117 M121 P140 F143 M145 F215 W299	L98-L101 HydrophobicContact CD2-CD1 4.19Å; L98-F102 WeakPolarHBondContact O-CB 3.28Å; L98-F102 PolarHBondContact O-N 3.26Å; L98-L117 HydrophobicContact CD1-CD1 4.25Å; L98-L117 HydrophobicContact CD1-CD2 4.08Å; L98-L117 HydrophobicContact CD2-CD1 4.09Å; L98-L117 HydrophobicContact CD2-CD2 3.68Å; L98-M121 HydrophobicContact CD1-CE 4.17Å; L98-M121 HydrophobicContact CD1-SD 3.79Å; L98-P140 HydrophobicContact CB-CB 4.22Å; L98-P140 PolarHBondContact N-O 3.14Å; L98-F143 HydrophobicContact CD1-CB 3.59Å; L98-F143 HydrophobicContact CD1-CG 4.36Å; L98-F143 HydrophobicContact CG-CB 3.84Å; L98-F143 WeakPolarHBondContact CG-O 3.14Å; L98-F143 PolarHBondContact N-O 3Å; L98-M145 HydrophobicContact CD2-CG 4.34Å; L98-M145 HydrophobicContact CD2-SD 3.96Å; L98-F215 HydrophobicContact CB-CE1 4.43Å; L98-F215 HydrophobicContact CB-CZ 3.8Å; L98-F215 HydrophobicContact CD1-CE2 4.21Å; L98-F215 HydrophobicContact CD1-CZ 4.1Å; L98-W299 HydrophobicContact CD2-CH2 4.31Å
99	E	98.4	Very high	97.6	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-43.1	172	-171	59.9	-152.9	0	0	111.6	S97 L101 F102 T103 R107 P140 Y214	S97-E99 PolarHBondContact O-N 3.48Å; S97-E99 PolarHBondContact OG-N 3.09Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 2.91Å; E99-F102 PolarHBondContact O-N 2.75Å; E99-T103 WeakPolarHBondContact O-CB 3.36Å; E99-T103 PolarHBondContact O-N 3.34Å; E99-T103 PolarHBondContact O-OG1 3.03Å; E99-R107 IonicContact OE1-NH1 3.14Å; E99-R107 PolarHBondContact OE1-NH1 2.88Å; E99-R107 VanDerWaalsContact OE1-NH1 3.17Å; E99-P140 HydrophobicContact CB-CB 3.93Å; E99-Y214 VanDerWaalsContact CD-OH 3.26Å; E99-Y214 PolarHBondContact OE1-OH 3.21Å; E99-Y214 VanDerWaalsContact OE2-CE1 3.23Å; E99-Y214 WeakPolarHBondContact OE2-CE1 3.46Å; E99-Y214 PolarHBondContact OE2-OH 2.67Å
100	D	97.7	Very high	97.6	Very high	84 Å²	84	40.6 Å²	40.6	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-45.4	176.6	-62.5	-47.9	0	0	0	110.6	P96 S97 F102 T103 F104	P96-D100 HydrophobicContact CB-CB 3.86Å; S97-D100 WeakPolarHBondContact CB-OD2 3.35Å; S97-D100 PolarHBondContact N-OD2 2.93Å; S97-D100 PolarHBondContact O-N 3.22Å; S97-D100 PolarHBondContact OG-N 3.3Å; S97-D100 VanDerWaalsContact OG-N 3.09Å; S97-D100 PolarHBondContact OG-OD2 2.95Å; D100-F102 VanDerWaalsContact C-N 3.34Å; D100-T103 PolarHBondContact O-N 3.38Å; D100-F104 WeakPolarHBondContact O-CB 3.33Å; D100-F104 PolarHBondContact O-N 3.44Å
101	L	98.5	Very high	97.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-37.3	177.4	-69.6	171.4	0	0	0	111.9	P96 S97 L98 E99 T103 F104 C105 F109 M145 W299	P96-L101 HydrophobicContact CB-CD2 4.24Å; P96-L101 HydrophobicContact CB-CG 4.08Å; P96-L101 HydrophobicContact CG-CD1 4.11Å; P96-L101 HydrophobicContact CG-CD2 3.63Å; P96-L101 HydrophobicContact CG-CG 3.8Å; S97-L101 WeakPolarHBondContact O-CG 3.35Å; S97-L101 PolarHBondContact O-N 3.41Å; L98-L101 HydrophobicContact CD2-CD1 4.19Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 2.91Å; L101-T103 VanDerWaalsContact C-N 3.35Å; L101-F104 PolarHBondContact O-N 3.43Å; L101-C105 WeakPolarHBondContact O-CB 3.3Å; L101-C105 PolarHBondContact O-N 2.96Å; L101-C105 PolarHBondContact O-SG 2.74Å; L101-F109 HydrophobicContact CB-CZ 4.13Å; L101-M145 HydrophobicContact CD1-CB 4.44Å; L101-M145 HydrophobicContact CD1-CG 3.42Å; L101-M145 VanDerWaalsContact CD1-CG 3.42Å; L101-W299 HydrophobicContact CB-CD2 4.22Å; L101-W299 HydrophobicContact CB-CE3 3.81Å; L101-W299 HydrophobicContact CB-CZ3 4.1Å; L101-W299 HydrophobicContact CD1-CD2 3.89Å; L101-W299 HydrophobicContact CD1-CE3 4.06Å; L101-W299 HydrophobicContact CD1-CH2 3.91Å; L101-W299 HydrophobicContact CD1-CZ2 3.73Å; L101-W299 HydrophobicContact CD1-CZ3 4.07Å; L101-W299 HydrophobicContact CD2-CB 3.96Å; L101-W299 HydrophobicContact CD2-CD2 3.77Å; L101-W299 HydrophobicContact CD2-CE3 4.24Å; L101-W299 HydrophobicContact CD2-CG 3.65Å; L101-W299 HydrophobicContact CG-CD2 4.18Å; L101-W299 HydrophobicContact CG-CE3 4.26Å
102	F	98.4	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-44.9	176	-170.7	-128.3	0	0	0	110.8	L98 E99 D100 C105 C106 R107 F109 Y214 F215	L98-F102 WeakPolarHBondContact O-CB 3.28Å; L98-F102 PolarHBondContact O-N 3.26Å; E99-F102 PolarHBondContact O-N 2.75Å; D100-F102 VanDerWaalsContact C-N 3.34Å; F102-C105 CarbonylContact O-C 3.5Å; F102-C105 PolarHBondContact O-N 2.55Å; F102-C106 PolarHBondContact O-N 2.84Å; F102-R107 HydrophobicContact CD1-CB 4.17Å; F102-R107 HydrophobicContact CD1-CG 4.37Å; F102-R107 HydrophobicContact CE1-CB 3.83Å; F102-R107 HydrophobicContact CE1-CG 4.39Å; F102-R107 VanDerWaalsContact CE2-O 3.32Å; F102-R107 WeakPolarHBondContact CE2-O 3.47Å; F102-R107 HydrophobicContact CZ-CB 4.09Å; F102-R107 WeakPolarHBondContact CZ-O 3.46Å; F102-R107 WeakPolarHBondContact O-CA 3.38Å; F102-R107 PolarHBondContact O-N 3.1Å; F102-F109 HydrophobicContact CB-CE1 4.25Å; F102-F109 HydrophobicContact CB-CE2 4.06Å; F102-F109 HydrophobicContact CB-CZ 3.71Å; F102-F109 AromaticContact CD2-CD1 3.98Å; F102-F109 HydrophobicContact CD2-CD1 3.98Å; F102-F109 AromaticContact CD2-CD2 3.79Å; F102-F109 HydrophobicContact CD2-CD2 3.79Å; F102-F109 AromaticContact CD2-CE1 3.98Å; F102-F109 HydrophobicContact CD2-CE1 3.98Å; F102-F109 AromaticContact CD2-CE2 3.78Å; F102-F109 HydrophobicContact CD2-CE2 3.78Å; F102-F109 AromaticContact CD2-CG 3.88Å; F102-F109 HydrophobicContact CD2-CG 3.88Å; F102-F109 AromaticContact CD2-CZ 3.88Å; F102-F109 HydrophobicContact CD2-CZ 3.88Å; F102-F109 HydrophobicContact CE2-CD2 4.3Å; F102-F109 HydrophobicContact CE2-CG 4.27Å; F102-F109 HydrophobicContact CG-CE2 4.35Å; F102-F109 HydrophobicContact CG-CZ 4.31Å; F102-Y214 HydrophobicContact CD1-CD1 4.43Å; F102-Y214 AromaticContact CD1-CE1 3.6Å; F102-Y214 HydrophobicContact CD1-CE1 3.6Å; F102-Y214 AromaticContact CD1-CZ 3.81Å; F102-Y214 HydrophobicContact CE1-CD1 4.1Å; F102-Y214 AromaticContact CE1-CE1 3.54Å; F102-Y214 HydrophobicContact CE1-CE1 3.54Å; F102-Y214 HydrophobicContact CE1-CE2 4.1Å; F102-Y214 AromaticContact CE1-CZ 3.57Å; F102-Y214 HydrophobicContact CZ-CE1 4.46Å; F102-F215 HydrophobicContact CB-CD1 4.42Å; F102-F215 HydrophobicContact CB-CE1 4.28Å; F102-F215 HydrophobicContact CD1-CD1 4.35Å; F102-F215 AromaticContact CD2-CD1 3.82Å; F102-F215 HydrophobicContact CD2-CD1 3.82Å; F102-F215 HydrophobicContact CD2-CE1 4.48Å; F102-F215 HydrophobicContact CE2-CB 4.35Å; F102-F215 HydrophobicContact CE2-CD1 4.01Å; F102-F215 WeakPolarHBondContact CE2-O 3.34Å; F102-F215 AromaticContact CG-CD1 3.98Å; F102-F215 HydrophobicContact CG-CD1 3.98Å; F102-F215 HydrophobicContact CG-CE1 4.27Å; F102-F215 HydrophobicContact CZ-CD1 4.32Å
103	T	98	Very high	97.7	Very high	79 Å²	79	42 Å²	42	49%	0.485	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-44.9	174	-60.2	0	0	0	0	111.5	E99 D100 L101 C105 C106	E99-T103 WeakPolarHBondContact O-CB 3.36Å; E99-T103 PolarHBondContact O-N 3.34Å; E99-T103 PolarHBondContact O-OG1 3.03Å; D100-T103 PolarHBondContact O-N 3.38Å; L101-T103 VanDerWaalsContact C-N 3.35Å; T103-C105 PolarHBondContact O-N 3.23Å; T103-C106 PolarHBondContact O-N 2.58Å
104	F	97.5	Very high	97.8	Very high	61 Å²	61	41 Å²	41	27%	0.268	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-34.7	175.6	178.2	-108.1	0	0	0	112.9	D100 L101 C106 W299 L302 K303 L325	D100-F104 WeakPolarHBondContact O-CB 3.33Å; D100-F104 PolarHBondContact O-N 3.44Å; L101-F104 PolarHBondContact O-N 3.43Å; F104-C106 PolarHBondContact O-N 3.31Å; F104-W299 HydrophobicContact CD1-CB 3.76Å; F104-W299 HydrophobicContact CE1-CB 3.89Å; F104-L302 HydrophobicContact CE1-CB 3.84Å; F104-L302 HydrophobicContact CE1-CD1 4.32Å; F104-L302 HydrophobicContact CZ-CB 4.2Å; F104-K303 HydrophobicContact CE1-CG 4.23Å; F104-K303 HydrophobicContact CZ-CG 4.15Å; F104-L325 HydrophobicContact CB-CD1 4.01Å; F104-L325 HydrophobicContact CD2-CD1 3.74Å; F104-L325 HydrophobicContact CD2-CD2 3.58Å; F104-L325 HydrophobicContact CD2-CG 4.14Å; F104-L325 HydrophobicContact CE2-CD1 4.43Å; F104-L325 HydrophobicContact CE2-CD2 3.42Å; F104-L325 VanDerWaalsContact CE2-CD2 3.42Å; F104-L325 HydrophobicContact CE2-CG 4.44Å; F104-L325 HydrophobicContact CG-CD1 3.89Å; F104-L325 HydrophobicContact CG-CD2 4.33Å; F104-L325 HydrophobicContact CZ-CD2 4.04Å
105	C	97.4	Very high	97.8	Very high	8 Å²	8	40 Å²	40	5%	0.054	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	25	174.2	-61.5	0	0	0	0	113.4	L101 F102 T103 R107 R108 F109 L302	L101-C105 WeakPolarHBondContact O-CB 3.3Å; L101-C105 PolarHBondContact O-N 2.96Å; L101-C105 PolarHBondContact O-SG 2.74Å; F102-C105 CarbonylContact O-C 3.5Å; F102-C105 PolarHBondContact O-N 2.55Å; T103-C105 PolarHBondContact O-N 3.23Å; C105-R107 PolarHBondContact O-N 3.43Å; C105-R108 WeakPolarHBondContact CB-O 3.37Å; C105-R108 PolarHBondContact O-N 2.93Å; C105-R108 VanDerWaalsContact O-N 3.14Å; C105-F109 HydrophobicContact CB-CD1 3.91Å; C105-F109 HydrophobicContact CB-CE1 3.81Å; C105-L302 HydrophobicContact CB-CD1 4.12Å
106	C	96.7	Very high	97.8	Very high	114 Å²	114	39.3 Å²	39.3	77%	0.77	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	38.5	-179.1	-55.5	0	0	0	0	113.2	F102 T103 F104 R108	F102-C106 PolarHBondContact O-N 2.84Å; T103-C106 PolarHBondContact O-N 2.58Å; F104-C106 PolarHBondContact O-N 3.31Å; C106-R108 PolarHBondContact O-N 3.48Å
107	R	97.1	Very high	97.9	Very high	83 Å²	83	37.2 Å²	37.2	31%	0.313	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.8	-178.8	-53.9	-179	58.8	70.5	8	113.3	E99 F102 C105 Y214 G218	E99-R107 IonicContact OE1-NH1 3.14Å; E99-R107 PolarHBondContact OE1-NH1 2.88Å; E99-R107 VanDerWaalsContact OE1-NH1 3.17Å; F102-R107 HydrophobicContact CD1-CB 4.17Å; F102-R107 HydrophobicContact CD1-CG 4.37Å; F102-R107 HydrophobicContact CE1-CB 3.83Å; F102-R107 HydrophobicContact CE1-CG 4.39Å; F102-R107 VanDerWaalsContact CE2-O 3.32Å; F102-R107 WeakPolarHBondContact CE2-O 3.47Å; F102-R107 HydrophobicContact CZ-CB 4.09Å; F102-R107 WeakPolarHBondContact CZ-O 3.46Å; F102-R107 WeakPolarHBondContact O-CA 3.38Å; F102-R107 PolarHBondContact O-N 3.1Å; C105-R107 PolarHBondContact O-N 3.43Å; R107-Y214 PolarHBondContact NH1-OH 2.95Å; R107-Y214 PolarHBondContact NH2-OH 2.81Å; R107-G218 PolarHBondContact NH2-O 3.16Å; R107-G218 WeakPolarHBondContact O-CA 3.14Å
108	R	95.6	Very high	97.9	Very high	179 Å²	179	36.8 Å²	36.8	68%	0.675	19%	0.185	S	C	*	.			trans	-140.7	114.7	177.7	-169.8	177.6	66.9	102.8	2.1	110.2	C105 C106	C105-R108 WeakPolarHBondContact CB-O 3.37Å; C105-R108 PolarHBondContact O-N 2.93Å; C105-R108 VanDerWaalsContact O-N 3.14Å; C106-R108 PolarHBondContact O-N 3.48Å
109	F	98.4	Very high	97.9	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.039	19%	0.19	C	C	.	.			trans	-98.4	147.7	165	-69.7	-24.3	0	0	0	110.4	L101 F102 C105 T113 V114 L117 F215 D298 W299	L101-F109 HydrophobicContact CB-CZ 4.13Å; F102-F109 HydrophobicContact CB-CE1 4.25Å; F102-F109 HydrophobicContact CB-CE2 4.06Å; F102-F109 HydrophobicContact CB-CZ 3.71Å; F102-F109 AromaticContact CD2-CD1 3.98Å; F102-F109 HydrophobicContact CD2-CD1 3.98Å; F102-F109 AromaticContact CD2-CD2 3.79Å; F102-F109 HydrophobicContact CD2-CD2 3.79Å; F102-F109 AromaticContact CD2-CE1 3.98Å; F102-F109 HydrophobicContact CD2-CE1 3.98Å; F102-F109 AromaticContact CD2-CE2 3.78Å; F102-F109 HydrophobicContact CD2-CE2 3.78Å; F102-F109 AromaticContact CD2-CG 3.88Å; F102-F109 HydrophobicContact CD2-CG 3.88Å; F102-F109 AromaticContact CD2-CZ 3.88Å; F102-F109 HydrophobicContact CD2-CZ 3.88Å; F102-F109 HydrophobicContact CE2-CD2 4.3Å; F102-F109 HydrophobicContact CE2-CG 4.27Å; F102-F109 HydrophobicContact CG-CE2 4.35Å; F102-F109 HydrophobicContact CG-CZ 4.31Å; C105-F109 HydrophobicContact CB-CD1 3.91Å; C105-F109 HydrophobicContact CB-CE1 3.81Å; F109-T113 HydrophobicContact CB-CG2 3.9Å; F109-T113 HydrophobicContact CD1-CG2 4.03Å; F109-T113 HydrophobicContact CD2-CG2 3.89Å; F109-T113 HydrophobicContact CE2-CG2 4.42Å; F109-T113 HydrophobicContact CG-CG2 3.69Å; F109-V114 HydrophobicContact CB-CG2 3.76Å; F109-L117 HydrophobicContact CD2-CD1 4.15Å; F109-L117 HydrophobicContact CE2-CD1 3.93Å; F109-F215 HydrophobicContact CD2-CB 3.88Å; F109-F215 AromaticContact CD2-CD1 3.82Å; F109-F215 HydrophobicContact CD2-CD1 3.82Å; F109-F215 HydrophobicContact CD2-CD2 4.32Å; F109-F215 HydrophobicContact CD2-CE1 4.42Å; F109-F215 AromaticContact CD2-CG 3.77Å; F109-F215 HydrophobicContact CD2-CG 3.77Å; F109-F215 AromaticContact CE2-CD1 3.73Å; F109-F215 HydrophobicContact CE2-CD1 3.73Å; F109-F215 HydrophobicContact CE2-CD2 4.47Å; F109-F215 AromaticContact CE2-CE1 3.89Å; F109-F215 HydrophobicContact CE2-CE1 3.89Å; F109-F215 HydrophobicContact CE2-CG 4.05Å; F109-F215 HydrophobicContact CE2-CZ 4.33Å; F109-D298 WeakPolarHBondContact CA-OD2 3.4Å; F109-D298 HydrophobicContact CD1-CB 4.48Å; F109-W299 HydrophobicContact CD1-CZ3 4.48Å; F109-W299 AromaticContact CE1-CE3 3.83Å; F109-W299 HydrophobicContact CE1-CE3 3.83Å; F109-W299 AromaticContact CE1-CZ3 3.75Å; F109-W299 HydrophobicContact CE1-CZ3 3.75Å; F109-W299 HydrophobicContact CE2-CZ3 4.26Å; F109-W299 HydrophobicContact CZ-CE3 4.08Å; F109-W299 AromaticContact CZ-CZ3 3.63Å; F109-W299 HydrophobicContact CZ-CZ3 3.63Å
110	T	97.8	Very high	97.9	Very high	57 Å²	57	37.6 Å²	37.6	35%	0.35	19%	0.189	S	C	.	.			trans	-70.8	154.8	165.4	59.2	0	0	0	0	109.6	K112 T113 V114 D298	T110-K112 PolarHBondContact O-N 3.09Å; T110-T113 WeakPolarHBondContact O-CB 3.42Å; T110-T113 PolarHBondContact O-N 3.47Å; T110-T113 VanDerWaalsContact O-N 3.07Å; T110-T113 PolarHBondContact OG1-N 2.75Å; T110-T113 PolarHBondContact OG1-OG1 3.32Å; T110-V114 WeakPolarHBondContact O-CG2 3.44Å; T110-V114 PolarHBondContact O-N 3.48Å; T110-D298 WeakPolarHBondContact CB-OD1 3.42Å; T110-D298 WeakPolarHBondContact CG2-OD1 3.44Å; T110-D298 PolarHBondContact N-OD2 2.91Å; T110-D298 PolarHBondContact OG1-OD1 2.78Å; T110-D298 PolarHBondContact OG1-OD2 2.92Å
111	L	97.8	Very high	98	Very high	38 Å²	38	33.6 Å²	33.6	20%	0.199	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-35.7	177	-177.1	56.8	0	0	0	111.9	T113 V114 L115 P254 F257 M289	L111-T113 PolarHBondContact O-N 3.4Å; L111-V114 PolarHBondContact O-N 3.42Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 3.92Å; L111-L115 HydrophobicContact CG-CG 4.2Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.19Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-P254 HydrophobicContact CD2-CG 3.71Å; L111-F257 HydrophobicContact CD1-CE2 3.64Å; L111-F257 HydrophobicContact CD1-CZ 3.67Å; L111-M289 HydrophobicContact CD2-CE 3.46Å; L111-M289 VanDerWaalsContact CD2-CE 3.46Å; L111-M289 HydrophobicContact CD2-SD 3.31Å; L111-M289 WeakPolarHBondContact CD2-SD 3.39Å; L111-M289 HydrophobicContact CG-SD 4.16Å
112	K	98	Very high	98	Very high	38 Å²	38	33.6 Å²	33.6	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-53.8	-51.3	172.2	-174.9	-173.8	175.1	-169.2	0	111.7	T110 L115 M116 F286 H291 Q292 D294	T110-K112 PolarHBondContact O-N 3.09Å; K112-L115 PolarHBondContact O-N 3.46Å; K112-M116 HydrophobicContact CD-CE 4.49Å; K112-M116 HydrophobicContact CG-CE 4.08Å; K112-M116 WeakPolarHBondContact O-CG 3.48Å; K112-M116 PolarHBondContact O-N 3.05Å; K112-F286 HydrophobicContact CG-CE2 3.83Å; K112-F286 HydrophobicContact CG-CZ 4.25Å; K112-H291 HydrophobicContact CG-CB 4.2Å; K112-Q292 WeakPolarHBondContact CE-O 3.38Å; K112-D294 WeakPolarHBondContact CE-OD1 3.3Å; K112-D294 IonicContact NZ-OD1 3.44Å; K112-D294 PolarHBondContact NZ-OD1 3.03Å; K112-D294 IonicContact NZ-OD2 2.89Å; K112-D294 PolarHBondContact NZ-OD2 2.67Å
113	T	98.3	Very high	98	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-48.5	176.5	-67.5	0	0	0	0	111.5	F109 T110 L111 L115 M116 L117 F297 D298 W299	F109-T113 HydrophobicContact CB-CG2 3.9Å; F109-T113 HydrophobicContact CD1-CG2 4.03Å; F109-T113 HydrophobicContact CD2-CG2 3.89Å; F109-T113 HydrophobicContact CE2-CG2 4.42Å; F109-T113 HydrophobicContact CG-CG2 3.69Å; T110-T113 WeakPolarHBondContact O-CB 3.42Å; T110-T113 PolarHBondContact O-N 3.47Å; T110-T113 VanDerWaalsContact O-N 3.07Å; T110-T113 PolarHBondContact OG1-N 2.75Å; T110-T113 PolarHBondContact OG1-OG1 3.32Å; L111-T113 PolarHBondContact O-N 3.4Å; T113-L115 VanDerWaalsContact C-N 3.32Å; T113-L115 PolarHBondContact O-N 3.29Å; T113-M116 PolarHBondContact O-N 3.04Å; T113-L117 HydrophobicContact CG2-CD1 3.84Å; T113-L117 HydrophobicContact CG2-CG 4.4Å; T113-L117 WeakPolarHBondContact O-CB 3.4Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; T113-L117 PolarHBondContact O-N 3.04Å; T113-F297 HydrophobicContact CG2-CD1 4.09Å; T113-D298 WeakPolarHBondContact CB-OD2 3.43Å; T113-D298 PolarHBondContact OG1-N 2.88Å; T113-D298 VanDerWaalsContact OG1-N 3.14Å; T113-D298 PolarHBondContact OG1-OD1 3.13Å; T113-D298 PolarHBondContact OG1-OD2 2.96Å; T113-W299 HydrophobicContact CG2-CH2 4.25Å; T113-W299 HydrophobicContact CG2-CZ3 3.79Å
114	V	98.7	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-43.2	-178.9	177.6	0	0	0	0	111.4	F109 T110 L111 L117 A118 L212 F215 F257	F109-V114 HydrophobicContact CB-CG2 3.76Å; T110-V114 WeakPolarHBondContact O-CG2 3.44Å; T110-V114 PolarHBondContact O-N 3.48Å; L111-V114 PolarHBondContact O-N 3.42Å; V114-L117 PolarHBondContact O-N 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.31Å; V114-A118 PolarHBondContact O-N 3.47Å; V114-L212 HydrophobicContact CG1-CB 4.5Å; V114-L212 HydrophobicContact CG1-CD2 4.12Å; V114-F215 HydrophobicContact CG2-CB 3.78Å; V114-F257 HydrophobicContact CG1-CE1 4.14Å; V114-F257 HydrophobicContact CG1-CZ 4.14Å
115	L	98.6	Very high	98.1	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-38.6	179.7	-66.6	174.5	0	0	0	112.9	L111 K112 T113 L117 A118 D119 F257 F282 L285 F286	L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 3.92Å; L111-L115 HydrophobicContact CG-CG 4.2Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.19Å; L111-L115 PolarHBondContact O-N 3.23Å; K112-L115 PolarHBondContact O-N 3.46Å; T113-L115 VanDerWaalsContact C-N 3.32Å; T113-L115 PolarHBondContact O-N 3.29Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-A118 PolarHBondContact O-N 2.97Å; L115-D119 PolarHBondContact O-N 3.43Å; L115-F257 HydrophobicContact CD2-CZ 4.06Å; L115-F282 HydrophobicContact CD2-CB 3.86Å; L115-F282 HydrophobicContact CD2-CD1 3.6Å; L115-F282 HydrophobicContact CD2-CG 4.07Å; L115-L285 HydrophobicContact CD1-CD2 4.12Å; L115-L285 HydrophobicContact CD1-CG 4Å; L115-L285 HydrophobicContact CD2-CD2 3.76Å; L115-L285 HydrophobicContact CD2-CG 4.38Å; L115-F286 HydrophobicContact CB-CD2 3.71Å; L115-F286 HydrophobicContact CB-CE2 4.46Å; L115-F286 HydrophobicContact CD1-CB 4.16Å; L115-F286 HydrophobicContact CD1-CD2 4.04Å
116	M	98.1	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-39.4	173.8	-70.6	-168.5	-67.4	0	0	111.9	K112 T113 F286 F293 V296 F297	K112-M116 HydrophobicContact CD-CE 4.49Å; K112-M116 HydrophobicContact CG-CE 4.08Å; K112-M116 WeakPolarHBondContact O-CG 3.48Å; K112-M116 PolarHBondContact O-N 3.05Å; T113-M116 PolarHBondContact O-N 3.04Å; M116-F286 HydrophobicContact CG-CE2 3.62Å; M116-F286 HydrophobicContact CG-CZ 3.95Å; M116-F286 HydrophobicContact SD-CE2 4.49Å; M116-F286 HydrophobicContact SD-CZ 4.37Å; M116-F293 HydrophobicContact CB-CE2 4.27Å; M116-F293 HydrophobicContact CG-CD2 4Å; M116-F293 HydrophobicContact CG-CE2 3.81Å; M116-F293 HydrophobicContact SD-CD2 4.49Å; M116-V296 VanDerWaalsContact CE-O 3.26Å; M116-V296 WeakPolarHBondContact CE-O 3.22Å; M116-F297 HydrophobicContact CB-CD1 4.48Å; M116-F297 HydrophobicContact CB-CE1 3.76Å; M116-F297 HydrophobicContact CB-CZ 4.48Å; M116-F297 HydrophobicContact CE-CD1 3.66Å; M116-F297 HydrophobicContact CE-CE1 3.89Å; M116-F297 HydrophobicContact CE-CG 4.21Å; M116-F297 HydrophobicContact SD-CE1 4.44Å
117	L	98.6	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-44.1	175.3	-70.9	175.1	0	0	0	111.4	L98 F109 T113 V114 L115 D119 Q120 M121 M145 V154 F215 F297 W299	L98-L117 HydrophobicContact CD1-CD1 4.25Å; L98-L117 HydrophobicContact CD1-CD2 4.08Å; L98-L117 HydrophobicContact CD2-CD1 4.09Å; L98-L117 HydrophobicContact CD2-CD2 3.68Å; F109-L117 HydrophobicContact CD2-CD1 4.15Å; F109-L117 HydrophobicContact CE2-CD1 3.93Å; T113-L117 HydrophobicContact CG2-CD1 3.84Å; T113-L117 HydrophobicContact CG2-CG 4.4Å; T113-L117 WeakPolarHBondContact O-CB 3.4Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; T113-L117 PolarHBondContact O-N 3.04Å; V114-L117 PolarHBondContact O-N 3.31Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L117-D119 VanDerWaalsContact C-N 3.35Å; L117-D119 PolarHBondContact O-N 3.42Å; L117-Q120 PolarHBondContact O-N 3.27Å; L117-Q120 VanDerWaalsContact O-N 3.15Å; L117-M121 HydrophobicContact CB-SD 4.24Å; L117-M121 WeakPolarHBondContact O-CB 3.39Å; L117-M121 VanDerWaalsContact O-CG 3.23Å; L117-M121 WeakPolarHBondContact O-CG 3.44Å; L117-M121 PolarHBondContact O-N 3.42Å; L117-M145 HydrophobicContact CD2-SD 4.47Å; L117-V154 HydrophobicContact CD2-CG2 3.6Å; L117-F215 HydrophobicContact CD1-CE2 4.48Å; L117-F297 HydrophobicContact CD2-CE1 3.98Å; L117-F297 HydrophobicContact CG-CE1 4.16Å; L117-W299 HydrophobicContact CD1-CH2 4.18Å; L117-W299 HydrophobicContact CD1-CZ3 4.42Å; L117-W299 HydrophobicContact CD2-CH2 4.18Å
118	A	98.7	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-54.4	-47.1	179	0	0	0	0	0	112.4	V114 L115 Q120 M121 L122 L212 F282	V114-A118 WeakPolarHBondContact O-CB 3.31Å; V114-A118 PolarHBondContact O-N 3.47Å; L115-A118 PolarHBondContact O-N 2.97Å; A118-Q120 VanDerWaalsContact C-N 3.35Å; A118-Q120 PolarHBondContact O-N 3.34Å; A118-M121 PolarHBondContact O-N 3.21Å; A118-L122 WeakPolarHBondContact O-CB 3.29Å; A118-L122 WeakPolarHBondContact O-CG 3.34Å; A118-L122 PolarHBondContact O-N 3.01Å; A118-L212 HydrophobicContact CB-CD1 3.85Å; A118-L212 HydrophobicContact CB-CD2 3.72Å; A118-L212 HydrophobicContact CB-CG 4.46Å; A118-F282 HydrophobicContact CB-CD2 3.82Å; A118-F282 HydrophobicContact CB-CE2 4.2Å; A118-F282 HydrophobicContact CB-CG 4.14Å
119	D	98	Very high	98.4	Very high	19 Å²	19	14.6 Å²	14.6	10%	0.102	8%	0.076	C	C	.	.	H	α-helix	trans	-62	-41.9	179	-174	67.8	0	0	0	112.2	L115 L117 A123 R279 R283	L115-D119 PolarHBondContact O-N 3.43Å; L117-D119 VanDerWaalsContact C-N 3.35Å; L117-D119 PolarHBondContact O-N 3.42Å; D119-A123 WeakPolarHBondContact O-CB 3.42Å; D119-A123 PolarHBondContact O-N 2.87Å; D119-R279 IonicContact OD1-CZ 3Å; D119-R279 IonicContact OD1-NE 3.46Å; D119-R279 PolarHBondContact OD1-NE 2.78Å; D119-R279 IonicContact OD1-NH2 3.99Å; D119-R279 PolarHBondContact OD1-NH2 3.32Å; D119-R279 VanDerWaalsContact OD1-NH2 3.14Å; D119-R279 IonicContact OD2-CZ 3.99Å; D119-R279 IonicContact OD2-NH2 3.84Å; D119-R279 PolarHBondContact OD2-NH2 3.12Å; D119-R283 IonicContact OD1-CZ 3.92Å; D119-R283 VanDerWaalsContact OD1-CZ 3.31Å; D119-R283 IonicContact OD1-NE 3.73Å; D119-R283 PolarHBondContact OD1-NE 3.02Å; D119-R283 IonicContact OD1-NH2 3.76Å; D119-R283 PolarHBondContact OD1-NH2 3.47Å; D119-R283 VanDerWaalsContact OD1-NH2 3.13Å; D119-R283 IonicContact OD2-NE 2.86Å; D119-R283 IonicContact OD2-NH2 3.12Å; D119-R283 PolarHBondContact OD2-NH2 2.86Å
120	Q	98.5	Very high	98.4	Very high	15 Å²	15	18.3 Å²	18.3	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-69.4	-46.7	179.1	-66.4	-163	57.8	0	0	111.7	L117 A118 A123 R124 N152 V154	L117-Q120 PolarHBondContact O-N 3.27Å; L117-Q120 VanDerWaalsContact O-N 3.15Å; A118-Q120 VanDerWaalsContact C-N 3.35Å; A118-Q120 PolarHBondContact O-N 3.34Å; Q120-A123 WeakPolarHBondContact O-CB 3.19Å; Q120-A123 PolarHBondContact O-N 2.93Å; Q120-R124 WeakPolarHBondContact O-CG 3.43Å; Q120-R124 PolarHBondContact O-N 3.46Å; Q120-N152 PolarHBondContact NE2-O 2.83Å; Q120-V154 HydrophobicContact CB-CB 4Å; Q120-V154 HydrophobicContact CB-CG2 3.89Å; Q120-V154 HydrophobicContact CG-CG2 4.42Å
121	M	98.9	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-42.9	-177.9	-67.2	170.4	79.7	0	0	111.6	L98 L117 A118 A123 R124 I125 F143 V154 L208 V211 F215	L98-M121 HydrophobicContact CD1-CE 4.17Å; L98-M121 HydrophobicContact CD1-SD 3.79Å; L117-M121 HydrophobicContact CB-SD 4.24Å; L117-M121 WeakPolarHBondContact O-CB 3.39Å; L117-M121 VanDerWaalsContact O-CG 3.23Å; L117-M121 WeakPolarHBondContact O-CG 3.44Å; L117-M121 PolarHBondContact O-N 3.42Å; A118-M121 PolarHBondContact O-N 3.21Å; M121-A123 VanDerWaalsContact C-N 3.33Å; M121-A123 PolarHBondContact O-N 3.35Å; M121-R124 PolarHBondContact O-N 3.44Å; M121-R124 VanDerWaalsContact O-N 3.12Å; M121-I125 WeakPolarHBondContact O-CG1 3.23Å; M121-I125 PolarHBondContact O-N 2.75Å; M121-F143 HydrophobicContact CB-CD1 4.48Å; M121-F143 HydrophobicContact CB-CE1 3.95Å; M121-F143 HydrophobicContact CB-CZ 4.26Å; M121-F143 HydrophobicContact CE-CD1 4.14Å; M121-F143 HydrophobicContact CE-CD2 3.38Å; M121-F143 HydrophobicContact CE-CE1 4.12Å; M121-F143 HydrophobicContact CE-CE2 3.39Å; M121-F143 HydrophobicContact CE-CG 3.76Å; M121-F143 HydrophobicContact CE-CZ 3.76Å; M121-F143 HydrophobicContact CG-CD1 3.83Å; M121-F143 HydrophobicContact CG-CE1 3.81Å; M121-F143 HydrophobicContact CG-CG 4.28Å; M121-F143 HydrophobicContact CG-CZ 4.29Å; M121-V154 HydrophobicContact CG-CG1 4.25Å; M121-L208 HydrophobicContact CB-CD1 3.76Å; M121-L208 HydrophobicContact CB-CD2 4.4Å; M121-L208 HydrophobicContact CE-CD1 3.32Å; M121-L208 HydrophobicContact CG-CD1 4.42Å; M121-L208 HydrophobicContact SD-CD1 3.92Å; M121-V211 HydrophobicContact CE-CG1 3.83Å; M121-F215 HydrophobicContact SD-CE2 4.46Å
122	L	98.8	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-45.2	173.5	-84.1	167.7	0	0	0	111.7	A118 R124 I125 E126 L205 L208 Y260 L278 R279 F282	A118-L122 WeakPolarHBondContact O-CB 3.29Å; A118-L122 WeakPolarHBondContact O-CG 3.34Å; A118-L122 PolarHBondContact O-N 3.01Å; L122-R124 VanDerWaalsContact C-N 3.28Å; L122-R124 PolarHBondContact O-N 3.05Å; L122-I125 PolarHBondContact O-N 3.08Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 PolarHBondContact O-N 2.92Å; L122-L205 HydrophobicContact CD2-CD2 3.68Å; L122-L208 HydrophobicContact CB-CD2 4.49Å; L122-L208 HydrophobicContact CD2-CD2 3.59Å; L122-L208 HydrophobicContact CG-CD2 3.55Å; L122-Y260 HydrophobicContact CD1-CE2 4.13Å; L122-Y260 HydrophobicContact CD2-CE2 3.92Å; L122-Y260 HydrophobicContact CG-CE2 4.49Å; L122-L278 HydrophobicContact CD1-CB 4.3Å; L122-L278 HydrophobicContact CD2-CB 4.46Å; L122-R279 HydrophobicContact CB-CG 3.81Å; L122-R279 HydrophobicContact CD1-CG 3.81Å; L122-R279 HydrophobicContact CG-CG 4.4Å; L122-F282 HydrophobicContact CD1-CD2 3.95Å; L122-F282 HydrophobicContact CD1-CE2 4.05Å
123	A	98.5	Very high	98.5	Very high	9 Å²	9	17.1 Å²	17.1	7%	0.074	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-33.8	176.9	0	0	0	0	0	112.6	D119 Q120 M121 N127	D119-A123 WeakPolarHBondContact O-CB 3.42Å; D119-A123 PolarHBondContact O-N 2.87Å; Q120-A123 WeakPolarHBondContact O-CB 3.19Å; Q120-A123 PolarHBondContact O-N 2.93Å; M121-A123 VanDerWaalsContact C-N 3.33Å; M121-A123 PolarHBondContact O-N 3.35Å; A123-N127 WeakPolarHBondContact O-CB 3.29Å; A123-N127 PolarHBondContact O-N 3.33Å; A123-N127 VanDerWaalsContact O-N 3.11Å; A123-N127 PolarHBondContact O-ND2 2.96Å
124	R	98.7	Very high	98.5	Very high	15 Å²	15	17.1 Å²	17.1	6%	0.057	9%	0.085	C	C	.	.	H	α-helix	trans	-68	-46.9	174.8	-59.1	-45.1	171.1	-106.2	-1	111.6	I72 Q120 M121 L122 E126 N127 V128 F143 V154 M156	I72-R124 WeakPolarHBondContact O-CD 3.13Å; I72-R124 PolarHBondContact O-NE 3.36Å; Q120-R124 WeakPolarHBondContact O-CG 3.43Å; Q120-R124 PolarHBondContact O-N 3.46Å; M121-R124 PolarHBondContact O-N 3.44Å; M121-R124 VanDerWaalsContact O-N 3.12Å; L122-R124 VanDerWaalsContact C-N 3.28Å; L122-R124 PolarHBondContact O-N 3.05Å; R124-E126 VanDerWaalsContact C-N 3.34Å; R124-E126 PolarHBondContact O-N 2.79Å; R124-N127 WeakPolarHBondContact O-CB 3.46Å; R124-N127 PolarHBondContact O-N 3Å; R124-V128 WeakPolarHBondContact O-CG2 3.23Å; R124-V128 PolarHBondContact O-N 3.19Å; R124-V128 VanDerWaalsContact O-N 3.1Å; R124-F143 HydrophobicContact CB-CE1 4.39Å; R124-V154 PolarHBondContact NE-O 3.39Å; R124-V154 PolarHBondContact NH2-O 2.93Å; R124-M156 HydrophobicContact CB-CB 4.23Å; R124-M156 HydrophobicContact CB-CE 3.7Å; R124-M156 HydrophobicContact CB-SD 4.43Å; R124-M156 HydrophobicContact CG-CB 4.5Å
125	I	98.9	Very high	98.5	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-60.6	-46.6	178.6	-69.8	165.1	0	0	0	110.1	M121 L122 N127 V128 H129 I138 F143 M156 D204 L205 L208	M121-I125 WeakPolarHBondContact O-CG1 3.23Å; M121-I125 PolarHBondContact O-N 2.75Å; L122-I125 PolarHBondContact O-N 3.08Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.43Å; I125-V128 PolarHBondContact O-N 3.27Å; I125-V128 VanDerWaalsContact O-N 3.17Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.38Å; I125-H129 WeakPolarHBondContact O-CB 3.2Å; I125-H129 PolarHBondContact O-CD2 3.34Å; I125-H129 VanDerWaalsContact O-CG 3.24Å; I125-H129 PolarHBondContact O-N 3.23Å; I125-I138 HydrophobicContact CD1-CD1 4.05Å; I125-I138 HydrophobicContact CD1-CG1 4.44Å; I125-I138 HydrophobicContact CD1-CG2 4.43Å; I125-I138 HydrophobicContact CG1-CD1 3.97Å; I125-F143 HydrophobicContact CD1-CZ 4.39Å; I125-F143 HydrophobicContact CG1-CZ 4.47Å; I125-M156 HydrophobicContact CB-CE 4.41Å; I125-M156 HydrophobicContact CG1-CE 3.48Å; I125-M156 VanDerWaalsContact CG1-CE 3.48Å; I125-D204 HydrophobicContact CG2-CB 4.25Å; I125-L205 HydrophobicContact CG2-CD2 4.07Å; I125-L208 HydrophobicContact CD1-CB 3.96Å; I125-L208 HydrophobicContact CD1-CD1 4.26Å; I125-L208 HydrophobicContact CD1-CD2 3.83Å; I125-L208 HydrophobicContact CD1-CG 4.23Å
126	E	98.7	Very high	98.5	Very high	47 Å²	47	18.7 Å²	18.7	22%	0.22	9%	0.091	C	C	.	.	H	α-helix	trans	-55.5	-46.5	175.1	-179.6	176.8	-162.4	0	0	111.9	L122 R124 V128 H129 N130 Y275 R279	L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 PolarHBondContact O-N 2.92Å; R124-E126 VanDerWaalsContact C-N 3.34Å; R124-E126 PolarHBondContact O-N 2.79Å; E126-V128 VanDerWaalsContact C-N 3.33Å; E126-V128 PolarHBondContact O-N 3.37Å; E126-H129 PolarHBondContact O-N 2.88Å; E126-N130 WeakPolarHBondContact O-CB 3.49Å; E126-N130 PolarHBondContact O-N 2.82Å; E126-N130 PolarHBondContact O-ND2 3.1Å; E126-Y275 HydrophobicContact CB-CD1 3.72Å; E126-Y275 HydrophobicContact CB-CD2 4.42Å; E126-Y275 HydrophobicContact CB-CE1 4.07Å; E126-Y275 HydrophobicContact CB-CG 3.92Å; E126-Y275 HydrophobicContact CG-CD1 4.03Å; E126-Y275 HydrophobicContact CG-CD2 3.82Å; E126-Y275 HydrophobicContact CG-CE1 4.44Å; E126-Y275 HydrophobicContact CG-CE2 4.26Å; E126-Y275 HydrophobicContact CG-CG 3.71Å; E126-R279 IonicContact OE2-NH1 2.68Å
127	N	98.2	Very high	98.4	Very high	51 Å²	51	18.9 Å²	18.9	27%	0.273	9%	0.092	S	C	.	.	H	α-helix	trans	-60.1	-41.5	177.8	-74.3	-24.4	0	0	0	112.6	A123 R124 I125 N130 K131	A123-N127 WeakPolarHBondContact O-CB 3.29Å; A123-N127 PolarHBondContact O-N 3.33Å; A123-N127 VanDerWaalsContact O-N 3.11Å; A123-N127 PolarHBondContact O-ND2 2.96Å; R124-N127 WeakPolarHBondContact O-CB 3.46Å; R124-N127 PolarHBondContact O-N 3Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.43Å; N127-N130 PolarHBondContact O-N 3.39Å; N127-K131 PolarHBondContact O-N 3.24Å
128	V	98.7	Very high	98.4	Very high	2 Å²	2	19 Å²	19	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-45.6	176.1	174.3	0	0	0	0	110.7	L68 R124 I125 E126 N130 K131 L133 M156 F159	L68-V128 HydrophobicContact CD1-CG2 4.06Å; L68-V128 HydrophobicContact CD2-CG2 4.1Å; R124-V128 WeakPolarHBondContact O-CG2 3.23Å; R124-V128 PolarHBondContact O-N 3.19Å; R124-V128 VanDerWaalsContact O-N 3.1Å; I125-V128 PolarHBondContact O-N 3.27Å; I125-V128 VanDerWaalsContact O-N 3.17Å; E126-V128 VanDerWaalsContact C-N 3.33Å; E126-V128 PolarHBondContact O-N 3.37Å; V128-N130 VanDerWaalsContact C-N 3.27Å; V128-N130 PolarHBondContact O-N 3.37Å; V128-K131 WeakPolarHBondContact O-CA 3.42Å; V128-K131 PolarHBondContact O-N 3.48Å; V128-L133 CarbonylContact C-O 3.53Å; V128-L133 HydrophobicContact CG1-CB 3.77Å; V128-L133 PolarHBondContact O-N 2.88Å; V128-M156 HydrophobicContact CG2-SD 3.67Å; V128-F159 HydrophobicContact CG1-CE1 4.28Å; V128-F159 HydrophobicContact CG2-CE1 3.81Å; V128-F159 HydrophobicContact CG2-CZ 4.17Å
129	H	98.7	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-35.7	176.8	-68.4	-176.4	0	0	0	112.5	I125 E126 K131 S132 L133 Y165 R201 D204 Y275	I125-H129 WeakPolarHBondContact CG2-CE1 3.38Å; I125-H129 WeakPolarHBondContact O-CB 3.2Å; I125-H129 PolarHBondContact O-CD2 3.34Å; I125-H129 VanDerWaalsContact O-CG 3.24Å; I125-H129 PolarHBondContact O-N 3.23Å; E126-H129 PolarHBondContact O-N 2.88Å; H129-K131 PolarHBondContact O-N 3.17Å; H129-S132 PolarHBondContact O-N 3.11Å; H129-L133 VanDerWaalsContact CA-O 3.24Å; H129-L133 WeakPolarHBondContact CA-O 3.35Å; H129-L133 PolarHBondContact CD2-O 3.42Å; H129-L133 PolarHBondContact N-O 3.38Å; H129-Y165 VanDerWaalsContact O-CE1 3.27Å; H129-Y165 WeakPolarHBondContact O-CE1 3.35Å; H129-Y165 PolarHBondContact O-OH 2.78Å; H129-R201 HydrophobicContact CB-CG 4.27Å; H129-R201 PolarHBondContact CE1-O 3.13Å; H129-D204 IonicContact CD2-OD2 3.17Å; H129-D204 IonicContact CE1-OD2 3.62Å; H129-D204 IonicContact NE2-OD2 3.07Å; H129-D204 PolarHBondContact NE2-OD2 3.47Å; H129-Y275 WeakPolarHBondContact CB-OH 3.06Å; H129-Y275 AromaticContact ND1-CE1 3.7Å; H129-Y275 AromaticContact ND1-CZ 3.59Å; H129-Y275 PolarHBondContact ND1-OH 3.17Å
130	N	97.5	Very high	98.4	Very high	86 Å²	86	19 Å²	19	46%	0.46	9%	0.092	S	C	.	.	H	α-helix	trans	-66.1	-27.2	175.7	-74.2	-21.7	0	0	0	112.4	E126 N127 V128 S132 R166	E126-N130 WeakPolarHBondContact O-CB 3.49Å; E126-N130 PolarHBondContact O-N 2.82Å; E126-N130 PolarHBondContact O-ND2 3.1Å; N127-N130 PolarHBondContact O-N 3.39Å; V128-N130 VanDerWaalsContact C-N 3.27Å; V128-N130 PolarHBondContact O-N 3.37Å; N130-S132 PolarHBondContact O-N 3.49Å; N130-R166 PolarHBondContact O-NH2 3.34Å
131	K	97.8	Very high	98.4	Very high	99 Å²	99	21.5 Å²	21.5	43%	0.43	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	17.9	170.2	-60.6	-54.9	-173.4	175.6	0	114	L67 L68 N127 V128 H129 L133	L67-K131 HydrophobicContact CD2-CB 4.13Å; L67-K131 HydrophobicContact CG-CB 4.23Å; L68-K131 HydrophobicContact CD2-CB 3.98Å; L68-K131 HydrophobicContact CD2-CG 3.61Å; N127-K131 PolarHBondContact O-N 3.24Å; V128-K131 WeakPolarHBondContact O-CA 3.42Å; V128-K131 PolarHBondContact O-N 3.48Å; H129-K131 PolarHBondContact O-N 3.17Å; K131-L133 PolarHBondContact O-N 3.28Å
132	S	98.2	Very high	98.4	Very high	8 Å²	8	21.9 Å²	21.9	6%	0.056	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	21	177.9	-52	0	0	0	0	114.2	H129 N130 R164 Y165 R166	H129-S132 PolarHBondContact O-N 3.11Å; N130-S132 PolarHBondContact O-N 3.49Å; S132-R164 VanDerWaalsContact O-CA 3.25Å; S132-R164 WeakPolarHBondContact O-CA 3.26Å; S132-Y165 VanDerWaalsContact C-CD1 3.42Å; S132-Y165 VanDerWaalsContact CA-CE1 3.47Å; S132-Y165 WeakPolarHBondContact O-CD1 3.36Å; S132-Y165 PolarHBondContact O-N 2.95Å; S132-Y165 VanDerWaalsContact O-N 3.13Å; S132-R166 PolarHBondContact OG-NE 2.82Å
133	L	98.6	Very high	98.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.3	178.9	-69	170.6	0	0	0	111.2	V64 L67 V128 H129 K131 K163 R164	V64-L133 HydrophobicContact CB-CD1 4.41Å; V64-L133 HydrophobicContact CG1-CD1 3.64Å; V64-L133 HydrophobicContact CG2-CD1 4.16Å; L67-L133 HydrophobicContact CD2-CD1 3.83Å; L67-L133 HydrophobicContact CD2-CG 4.37Å; V128-L133 CarbonylContact C-O 3.53Å; V128-L133 HydrophobicContact CG1-CB 3.77Å; V128-L133 PolarHBondContact O-N 2.88Å; H129-L133 VanDerWaalsContact CA-O 3.24Å; H129-L133 WeakPolarHBondContact CA-O 3.35Å; H129-L133 PolarHBondContact CD2-O 3.42Å; H129-L133 PolarHBondContact N-O 3.38Å; K131-L133 PolarHBondContact O-N 3.28Å; L133-K163 CarbonylContact C-O 3.54Å; L133-K163 VanDerWaalsContact CA-O 3.32Å; L133-K163 WeakPolarHBondContact CA-O 3.22Å; L133-R164 HydrophobicContact CD2-CG 3.64Å
134	I	98.8	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.8	160.8	52.9	172	0	0	0	108.1	R136 A162 K163 Y165 Q199 R201 D204	I134-R136 HydrophobicContact CB-CG 4.43Å; I134-R136 HydrophobicContact CD1-CG 3.62Å; I134-R136 HydrophobicContact CG1-CG 3.81Å; I134-A162 CarbonylContact O-C 3.5Å; I134-A162 WeakPolarHBondContact O-CA 3.36Å; I134-A162 WeakPolarHBondContact O-CB 3.47Å; I134-K163 HydrophobicContact CG1-CB 4.2Å; I134-K163 WeakPolarHBondContact CG1-O 3.23Å; I134-K163 PolarHBondContact N-O 3.41Å; I134-K163 PolarHBondContact O-N 2.99Å; I134-Y165 HydrophobicContact CG2-CD1 3.82Å; I134-Y165 HydrophobicContact CG2-CG 4.2Å; I134-Q199 HydrophobicContact CD1-CB 4.07Å; I134-Q199 VanDerWaalsContact CD1-O 3.24Å; I134-Q199 WeakPolarHBondContact CD1-O 3.37Å; I134-R201 HydrophobicContact CG2-CG 3.94Å; I134-D204 WeakPolarHBondContact CA-OD2 3.48Å; I134-D204 WeakPolarHBondContact CB-OD2 3.42Å
135	H	98.6	Very high	98.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	11%	0.109	C	C	.	.			trans	-82.5	-44.5	-177	-168.7	-61.6	0	0	0	112.9	D137 I138 M156 I157 D158 F159 L161 D204	H135-D137 PolarHBondContact ND1-N 2.86Å; H135-D137 PolarHBondContact O-N 3.24Å; H135-I138 HydrophobicContact CB-CD1 3.68Å; H135-I138 HydrophobicContact CB-CG1 4.36Å; H135-M156 VanDerWaalsContact CD2-SD 3.54Å; H135-I157 PolarHBondContact NE2-O 3.35Å; H135-D158 PolarHBondContact CE1-O 3.18Å; H135-D158 PolarHBondContact NE2-O 3.12Å; H135-F159 AromaticContact CD2-CD1 3.94Å; H135-F159 AromaticContact CD2-CE1 3.74Å; H135-L161 CarbonylContact O-C 3.54Å; H135-D204 PolarHBondContact N-OD2 2.63Å
136	R	98.2	Very high	98.3	Very high	36 Å²	36	22.3 Å²	22.3	14%	0.136	11%	0.111	C	C	.	.	S	Bend	trans	64	11.1	-179.2	-52.2	-167.5	-65.9	157.1	4.4	116.8	I134 L161 G184 Q199 D204	I134-R136 HydrophobicContact CB-CG 4.43Å; I134-R136 HydrophobicContact CD1-CG 3.62Å; I134-R136 HydrophobicContact CG1-CG 3.81Å; R136-L161 PolarHBondContact NE-O 3.02Å; R136-L161 PolarHBondContact NH2-O 3.44Å; R136-G184 WeakPolarHBondContact O-CA 3.44Å; R136-Q199 HydrophobicContact CG-CB 4.26Å; R136-D204 WeakPolarHBondContact CA-OD1 3.49Å; R136-D204 PolarHBondContact N-OD1 3.5Å
137	D	97.5	Very high	98.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.118	C	C	.	.			trans	-148.7	47.1	175.7	-159.5	28.8	0	0	0	111.5	H135 K139 N142 L161 T185 N340	H135-D137 PolarHBondContact ND1-N 2.86Å; H135-D137 PolarHBondContact O-N 3.24Å; D137-K139 PolarHBondContact O-N 3.25Å; D137-K139 IonicContact OD1-NZ 3.3Å; D137-K139 WeakPolarHBondContact OD2-CE 3.35Å; D137-K139 IonicContact OD2-NZ 3.13Å; D137-K139 PolarHBondContact OD2-NZ 2.77Å; D137-N142 PolarHBondContact O-ND2 3.15Å; D137-N142 PolarHBondContact OD2-ND2 2.68Å; D137-L161 HydrophobicContact CB-CD1 3.93Å; D137-T185 WeakPolarHBondContact OD1-CB 2.97Å; D137-T185 PolarHBondContact OD1-N 2.88Å; D137-T185 PolarHBondContact OD1-OG1 2.96Å; D137-N340 PolarHBondContact OD2-ND2 3.48Å; D137-N340 PolarHBondContact OD2-OD1 3.48Å
138	I	98.8	Very high	98	Very high	2 Å²	2	24 Å²	24	1%	0.01	14%	0.135	C	C	.	.			trans	-67.6	112.1	177	-60.6	-57.7	0	0	0	109.1	I125 H135 F143 M156 Y188 D204 L208 V211	I125-I138 HydrophobicContact CD1-CD1 4.05Å; I125-I138 HydrophobicContact CD1-CG1 4.44Å; I125-I138 HydrophobicContact CD1-CG2 4.43Å; I125-I138 HydrophobicContact CG1-CD1 3.97Å; H135-I138 HydrophobicContact CB-CD1 3.68Å; H135-I138 HydrophobicContact CB-CG1 4.36Å; I138-F143 HydrophobicContact CD1-CE2 4.4Å; I138-F143 HydrophobicContact CD1-CZ 4.22Å; I138-F143 HydrophobicContact CG2-CE2 4.03Å; I138-F143 HydrophobicContact CG2-CZ 4.47Å; I138-M156 HydrophobicContact CD1-CE 4.08Å; I138-Y188 VanDerWaalsContact O-CB 3.3Å; I138-Y188 WeakPolarHBondContact O-CB 3.36Å; I138-D204 HydrophobicContact CG1-CB 3.95Å; I138-L208 HydrophobicContact CG2-CB 4.12Å; I138-L208 HydrophobicContact CG2-CD1 4.46Å; I138-V211 HydrophobicContact CG2-CG2 4.41Å
139	K	98.3	Very high	97.8	Very high	19 Å²	19	34.1 Å²	34.1	8%	0.083	17%	0.173	C	C	.	.			trans	-156.9	158.2	179.5	69	-163.6	-171.7	-161.3	0	110.9	D137 D141 N142 F143 T185 Y188 N340	D137-K139 PolarHBondContact O-N 3.25Å; D137-K139 IonicContact OD1-NZ 3.3Å; D137-K139 WeakPolarHBondContact OD2-CE 3.35Å; D137-K139 IonicContact OD2-NZ 3.13Å; D137-K139 PolarHBondContact OD2-NZ 2.77Å; K139-D141 HydrophobicContact CD-CB 4.45Å; K139-D141 HydrophobicContact CG-CB 4.09Å; K139-D141 PolarHBondContact O-N 3.34Å; K139-D141 VanDerWaalsContact O-N 3.16Å; K139-N142 WeakPolarHBondContact CE-ND2 3.45Å; K139-N142 HydrophobicContact CG-CB 4.13Å; K139-N142 PolarHBondContact O-N 2.67Å; K139-F143 VanDerWaalsContact O-CD2 3.31Å; K139-F143 WeakPolarHBondContact O-CD2 3.27Å; K139-T185 HydrophobicContact CD-CG2 4.42Å; K139-T185 WeakPolarHBondContact CD-OG1 3.13Å; K139-T185 PolarHBondContact NZ-OG1 3.12Å; K139-Y188 HydrophobicContact CB-CD2 3.4Å; K139-Y188 VanDerWaalsContact CB-CD2 3.4Å; K139-Y188 HydrophobicContact CB-CE2 3.62Å; K139-Y188 HydrophobicContact CB-CG 4.29Å; K139-N340 PolarHBondContact NZ-OD1 3.41Å
140	P	98.7	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.2	-178	-26.6	37	0	0	0	114.1	L98 E99 N142 F143 Y188 V211 Y214 F215	L98-P140 HydrophobicContact CB-CB 4.22Å; L98-P140 PolarHBondContact N-O 3.14Å; E99-P140 HydrophobicContact CB-CB 3.93Å; P140-N142 VanDerWaalsContact C-N 3.26Å; P140-N142 PolarHBondContact O-N 2.99Å; P140-F143 PolarHBondContact O-N 3.35Å; P140-F143 VanDerWaalsContact O-O 3.08Å; P140-Y188 VanDerWaalsContact CD-CE2 3.49Å; P140-Y188 WeakPolarHBondContact CD-OH 3.39Å; P140-Y188 HydrophobicContact CG-CE1 4.49Å; P140-Y188 HydrophobicContact CG-CE2 4.49Å; P140-V211 HydrophobicContact CG-CG1 3.95Å; P140-V211 HydrophobicContact CG-CG2 4.46Å; P140-Y214 HydrophobicContact CG-CD1 3.96Å; P140-Y214 HydrophobicContact CG-CE1 3.89Å; P140-F215 HydrophobicContact CB-CE1 3.88Å; P140-F215 HydrophobicContact CB-CZ 3.77Å; P140-F215 HydrophobicContact CG-CE1 3.8Å; P140-F215 HydrophobicContact CG-CZ 3.79Å
141	D	97.5	Very high	97.6	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-63.9	-28.5	178.8	-47.8	-103.4	0	0	0	113.4	K139 F143 L144	K139-D141 HydrophobicContact CD-CB 4.45Å; K139-D141 HydrophobicContact CG-CB 4.09Å; K139-D141 PolarHBondContact O-N 3.34Å; K139-D141 VanDerWaalsContact O-N 3.16Å; D141-F143 VanDerWaalsContact C-N 3.31Å; D141-L144 WeakPolarHBondContact O-CD1 3.23Å
142	N	98	Very high	97.5	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-91.6	6.5	-178.4	-71.7	-10.7	0	0	0	112.9	D137 K139 P140 M156 I157 D158	D137-N142 PolarHBondContact O-ND2 3.15Å; D137-N142 PolarHBondContact OD2-ND2 2.68Å; K139-N142 WeakPolarHBondContact CE-ND2 3.45Å; K139-N142 HydrophobicContact CG-CB 4.13Å; K139-N142 PolarHBondContact O-N 2.67Å; P140-N142 VanDerWaalsContact C-N 3.26Å; P140-N142 PolarHBondContact O-N 2.99Å; N142-M156 WeakPolarHBondContact O-CA 3.23Å; N142-I157 HydrophobicContact CB-CG1 4.45Å; N142-I157 PolarHBondContact O-N 2.95Å; N142-D158 WeakPolarHBondContact OD1-CB 3.48Å
143	F	98.7	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117	169.7	-68.8	-87.5	0	0	0	109.7	S97 L98 M121 R124 I125 I138 K139 P140 D141 V154 Y155 M156	S97-F143 CarbonylContact C-O 3.48Å; S97-F143 WeakPolarHBondContact CA-O 3.23Å; L98-F143 HydrophobicContact CD1-CB 3.59Å; L98-F143 HydrophobicContact CD1-CG 4.36Å; L98-F143 HydrophobicContact CG-CB 3.84Å; L98-F143 WeakPolarHBondContact CG-O 3.14Å; L98-F143 PolarHBondContact N-O 3Å; M121-F143 HydrophobicContact CB-CD1 4.48Å; M121-F143 HydrophobicContact CB-CE1 3.95Å; M121-F143 HydrophobicContact CB-CZ 4.26Å; M121-F143 HydrophobicContact CE-CD1 4.14Å; M121-F143 HydrophobicContact CE-CD2 3.38Å; M121-F143 HydrophobicContact CE-CE1 4.12Å; M121-F143 HydrophobicContact CE-CE2 3.39Å; M121-F143 HydrophobicContact CE-CG 3.76Å; M121-F143 HydrophobicContact CE-CZ 3.76Å; M121-F143 HydrophobicContact CG-CD1 3.83Å; M121-F143 HydrophobicContact CG-CE1 3.81Å; M121-F143 HydrophobicContact CG-CG 4.28Å; M121-F143 HydrophobicContact CG-CZ 4.29Å; R124-F143 HydrophobicContact CB-CE1 4.39Å; I125-F143 HydrophobicContact CD1-CZ 4.39Å; I125-F143 HydrophobicContact CG1-CZ 4.47Å; I138-F143 HydrophobicContact CD1-CE2 4.4Å; I138-F143 HydrophobicContact CD1-CZ 4.22Å; I138-F143 HydrophobicContact CG2-CE2 4.03Å; I138-F143 HydrophobicContact CG2-CZ 4.47Å; K139-F143 VanDerWaalsContact O-CD2 3.31Å; K139-F143 WeakPolarHBondContact O-CD2 3.27Å; P140-F143 PolarHBondContact O-N 3.35Å; P140-F143 VanDerWaalsContact O-O 3.08Å; D141-F143 VanDerWaalsContact C-N 3.31Å; F143-V154 HydrophobicContact CB-CG1 3.97Å; F143-V154 HydrophobicContact CD1-CG1 3.64Å; F143-V154 HydrophobicContact CG-CG1 4.24Å; F143-Y155 CarbonylContact C-O 3.5Å; F143-Y155 VanDerWaalsContact CA-O 3.24Å; F143-Y155 WeakPolarHBondContact CA-O 3.36Å; F143-M156 HydrophobicContact CD1-CB 4.4Å; F143-M156 HydrophobicContact CE1-CB 4.26Å; F143-M156 HydrophobicContact CE1-CE 3.49Å; F143-M156 VanDerWaalsContact CE1-CE 3.49Å; F143-M156 HydrophobicContact CE1-CG 4.37Å; F143-M156 HydrophobicContact CZ-CE 3.49Å; F143-M156 VanDerWaalsContact CZ-CE 3.49Å
144	L	98.5	Very high	97.5	Very high	27 Å²	27	36.2 Å²	36.2	14%	0.141	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.9	-179.6	-81.7	63.2	0	0	0	110.3	L94 G95 D141 V154 Y155 I157	L94-L144 HydrophobicContact CB-CB 4.04Å; L94-L144 HydrophobicContact CB-CD2 3.8Å; L94-L144 HydrophobicContact CD1-CB 4Å; L94-L144 HydrophobicContact CD1-CD2 4.21Å; G95-L144 WeakPolarHBondContact O-CD2 3.45Å; D141-L144 WeakPolarHBondContact O-CD1 3.23Å; L144-V154 CarbonylContact O-C 3.6Å; L144-Y155 PolarHBondContact N-O 3.35Å; L144-Y155 PolarHBondContact O-N 3.26Å; L144-I157 HydrophobicContact CD1-CD1 3.39Å; L144-I157 HydrophobicContact CD1-CG1 3.83Å; L144-I157 HydrophobicContact CD2-CD1 4.04Å; L144-I157 HydrophobicContact CG-CD1 4.36Å
145	M	98.5	Very high	97.5	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	150	167.8	-62.2	-53.8	-62.9	0	0	110.1	G95 P96 L98 L101 L117 C151 N152 K153 V154 F297 W299	G95-M145 VanDerWaalsContact CA-O 3.27Å; G95-M145 WeakPolarHBondContact CA-O 3.24Å; G95-M145 PolarHBondContact N-O 2.95Å; P96-M145 PolarHBondContact O-N 3.48Å; L98-M145 HydrophobicContact CD2-CG 4.34Å; L98-M145 HydrophobicContact CD2-SD 3.96Å; L101-M145 HydrophobicContact CD1-CB 4.44Å; L101-M145 HydrophobicContact CD1-CG 3.42Å; L101-M145 VanDerWaalsContact CD1-CG 3.42Å; L117-M145 HydrophobicContact CD2-SD 4.47Å; M145-C151 WeakPolarHBondContact CE-O 3.25Å; M145-N152 VanDerWaalsContact CE-C 3.47Å; M145-K153 WeakPolarHBondContact CA-O 3.5Å; M145-V154 HydrophobicContact CE-CG2 4.3Å; M145-V154 HydrophobicContact SD-CB 4.47Å; M145-V154 HydrophobicContact SD-CG2 3.69Å; M145-F297 HydrophobicContact CE-CE2 4.04Å; M145-F297 HydrophobicContact CE-CZ 4.29Å; M145-W299 HydrophobicContact CE-CZ2 4.29Å; M145-W299 HydrophobicContact CG-CZ2 4.12Å; M145-W299 HydrophobicContact SD-CZ2 4.13Å
146	G	97.8	Very high	97.5	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	19%	0.192	C	C	.	.			trans	-67.8	179.2	168.5	0	0	0	0	0	112.6	H150 C151 K153	G146-H150 VanDerWaalsContact CA-O 3.29Å; G146-H150 WeakPolarHBondContact CA-O 3.43Å; G146-C151 WeakPolarHBondContact O-CA 3.49Å; G146-K153 PolarHBondContact N-O 3.12Å
147	I	96.4	Very high	97.5	Very high	71 Å²	71	36.9 Å²	36.9	36%	0.364	19%	0.192	S	C	.	.			trans	-117.6	165.9	173.7	57.2	174.3	0	0	0	110.9	L93 R149 H150	L93-I147 WeakPolarHBondContact O-CD1 3.46Å; I147-R149 PolarHBondContact O-N 3.25Å; I147-H150 PolarHBondContact O-N 3.42Å
148	G	95	Very high	97.4	Very high	61 Å²	61	37.3 Å²	37.3	63%	0.629	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	53	-129	178.8	0	0	0	0	0	112.4	H150 C151	G148-H150 PolarHBondContact O-N 3.32Å; G148-C151 VanDerWaalsContact O-CB 3.31Å; G148-C151 WeakPolarHBondContact O-CB 3.21Å; G148-C151 PolarHBondContact O-N 3.14Å; G148-C151 VanDerWaalsContact O-N 3.13Å; G148-C151 PolarHBondContact O-SG 2.95Å
149	R	94.6	Very high	97.3	Very high	215 Å²	215	37.2 Å²	37.2	81%	0.811	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-63.9	-4.7	177.6	68.5	175.6	-173	-171.9	-2.6	115.3	I147	I147-R149 PolarHBondContact O-N 3.25Å
150	H	95.9	Very high	97.1	Very high	50 Å²	50	36.7 Å²	36.7	23%	0.231	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-113.1	11.6	179	-60.1	-39.3	0	0	0	112.3	G146 I147 G148 N152 K153 Y155	G146-H150 VanDerWaalsContact CA-O 3.29Å; G146-H150 WeakPolarHBondContact CA-O 3.43Å; I147-H150 PolarHBondContact O-N 3.42Å; G148-H150 PolarHBondContact O-N 3.32Å; H150-N152 PolarHBondContact O-N 3.23Å; H150-N152 VanDerWaalsContact O-N 3.08Å; H150-K153 HydrophobicContact CB-CD 4.29Å; H150-K153 PolarHBondContact ND1-NZ 2.81Å; H150-K153 WeakPolarHBondContact O-CB 3.38Å; H150-K153 PolarHBondContact O-N 3.38Å; H150-Y155 HydrophobicContact CB-CE2 4.37Å
151	C	95.9	Very high	96.9	Very high	73 Å²	73	36.8 Å²	36.8	49%	0.493	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.1	-177.2	65.9	0	0	0	0	115.4	M145 G146 G148	M145-C151 WeakPolarHBondContact CE-O 3.25Å; G146-C151 WeakPolarHBondContact O-CA 3.49Å; G148-C151 VanDerWaalsContact O-CB 3.31Å; G148-C151 WeakPolarHBondContact O-CB 3.21Å; G148-C151 PolarHBondContact O-N 3.14Å; G148-C151 VanDerWaalsContact O-N 3.13Å; G148-C151 PolarHBondContact O-SG 2.95Å
152	N	96.2	Very high	96.9	Very high	42 Å²	42	33.8 Å²	33.8	23%	0.225	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.7	175.3	65	-30.1	0	0	0	114.2	Q120 M145 H150 Y295 F297	Q120-N152 PolarHBondContact NE2-O 2.83Å; M145-N152 VanDerWaalsContact CE-C 3.47Å; H150-N152 PolarHBondContact O-N 3.23Å; H150-N152 VanDerWaalsContact O-N 3.08Å; N152-Y295 HydrophobicContact CB-CD1 3.88Å; N152-Y295 HydrophobicContact CB-CG 3.93Å; N152-F297 HydrophobicContact CB-CE2 4.44Å
153	K	98.1	Very high	96.9	Very high	74 Å²	74	36.1 Å²	36.1	32%	0.322	19%	0.189	S	C	.	.			trans	-97.7	129.7	-180	-63.8	-177.1	-177.3	178.5	0	110.6	M145 G146 H150 Y155	M145-K153 WeakPolarHBondContact CA-O 3.5Å; G146-K153 PolarHBondContact N-O 3.12Å; H150-K153 HydrophobicContact CB-CD 4.29Å; H150-K153 PolarHBondContact ND1-NZ 2.81Å; H150-K153 WeakPolarHBondContact O-CB 3.38Å; H150-K153 PolarHBondContact O-N 3.38Å; K153-Y155 HydrophobicContact CB-CD2 4.36Å; K153-Y155 HydrophobicContact CB-CE2 3.78Å; K153-Y155 WeakPolarHBondContact O-CD2 3.49Å
154	V	98.7	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.1	168	-178.9	0	0	0	0	109.1	G73 L117 Q120 M121 R124 F143 L144 M145	G73-V154 WeakPolarHBondContact CA-O 3.45Å; L117-V154 HydrophobicContact CD2-CG2 3.6Å; Q120-V154 HydrophobicContact CB-CB 4Å; Q120-V154 HydrophobicContact CB-CG2 3.89Å; Q120-V154 HydrophobicContact CG-CG2 4.42Å; M121-V154 HydrophobicContact CG-CG1 4.25Å; R124-V154 PolarHBondContact NE-O 3.39Å; R124-V154 PolarHBondContact NH2-O 2.93Å; F143-V154 HydrophobicContact CB-CG1 3.97Å; F143-V154 HydrophobicContact CD1-CG1 3.64Å; F143-V154 HydrophobicContact CG-CG1 4.24Å; L144-V154 CarbonylContact O-C 3.6Å; M145-V154 HydrophobicContact CE-CG2 4.3Å; M145-V154 HydrophobicContact SD-CB 4.47Å; M145-V154 HydrophobicContact SD-CG2 3.69Å
155	Y	98.7	Very high	96.9	Very high	24 Å²	24	41.2 Å²	41.2	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.2	174.1	-73.1	-103.5	0	0	0	110	G73 L94 F143 L144 H150 K153	G73-Y155 VanDerWaalsContact C-CD1 3.48Å; G73-Y155 CarbonylContact O-C 3.5Å; G73-Y155 WeakPolarHBondContact O-CA 3.46Å; L94-Y155 HydrophobicContact CD1-CD1 4.39Å; L94-Y155 HydrophobicContact CD1-CG 4.07Å; L94-Y155 HydrophobicContact CD2-CD1 3.85Å; L94-Y155 HydrophobicContact CD2-CD2 3.9Å; L94-Y155 HydrophobicContact CD2-CE1 4.15Å; L94-Y155 HydrophobicContact CD2-CE2 4.21Å; L94-Y155 HydrophobicContact CD2-CG 3.72Å; F143-Y155 CarbonylContact C-O 3.5Å; F143-Y155 VanDerWaalsContact CA-O 3.24Å; F143-Y155 WeakPolarHBondContact CA-O 3.36Å; L144-Y155 PolarHBondContact N-O 3.35Å; L144-Y155 PolarHBondContact O-N 3.26Å; H150-Y155 HydrophobicContact CB-CE2 4.37Å; K153-Y155 HydrophobicContact CB-CD2 4.36Å; K153-Y155 HydrophobicContact CB-CE2 3.78Å; K153-Y155 WeakPolarHBondContact O-CD2 3.49Å
156	M	98.7	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.8	173.2	-178.9	-176.6	-80.9	0	0	109.6	G73 I74 P75 R124 I125 V128 H135 I138 N142 F143 F159	G73-M156 PolarHBondContact O-N 3.16Å; I74-M156 HydrophobicContact CD1-CB 4.24Å; P75-M156 WeakPolarHBondContact CD-O 3.43Å; R124-M156 HydrophobicContact CB-CB 4.23Å; R124-M156 HydrophobicContact CB-CE 3.7Å; R124-M156 HydrophobicContact CB-SD 4.43Å; R124-M156 HydrophobicContact CG-CB 4.5Å; I125-M156 HydrophobicContact CB-CE 4.41Å; I125-M156 HydrophobicContact CG1-CE 3.48Å; I125-M156 VanDerWaalsContact CG1-CE 3.48Å; V128-M156 HydrophobicContact CG2-SD 3.67Å; H135-M156 VanDerWaalsContact CD2-SD 3.54Å; I138-M156 HydrophobicContact CD1-CE 4.08Å; N142-M156 WeakPolarHBondContact O-CA 3.23Å; F143-M156 HydrophobicContact CD1-CB 4.4Å; F143-M156 HydrophobicContact CE1-CB 4.26Å; F143-M156 HydrophobicContact CE1-CE 3.49Å; F143-M156 VanDerWaalsContact CE1-CE 3.49Å; F143-M156 HydrophobicContact CE1-CG 4.37Å; F143-M156 HydrophobicContact CZ-CE 3.49Å; F143-M156 VanDerWaalsContact CZ-CE 3.49Å; M156-F159 HydrophobicContact CB-CZ 4.46Å; M156-F159 HydrophobicContact CG-CE1 4.36Å; M156-F159 HydrophobicContact CG-CZ 3.91Å; M156-F159 HydrophobicContact SD-CE1 3.94Å; M156-F159 HydrophobicContact SD-CZ 3.91Å
157	I	97	Very high	96.9	Very high	28 Å²	28	47.2 Å²	47.2	14%	0.144	23%	0.233	C	C	.	.			trans	-133.8	177	-177.8	68.3	161.7	0	0	0	111.7	Y65 P75 L94 H135 N142 L144	Y65-I157 WeakPolarHBondContact OH-CA 3.33Å; P75-I157 HydrophobicContact CG-CG2 4.1Å; L94-I157 HydrophobicContact CD1-CG2 3.68Å; H135-I157 PolarHBondContact NE2-O 3.35Å; N142-I157 HydrophobicContact CB-CG1 4.45Å; N142-I157 PolarHBondContact O-N 2.95Å; L144-I157 HydrophobicContact CD1-CD1 3.39Å; L144-I157 HydrophobicContact CD1-CG1 3.83Å; L144-I157 HydrophobicContact CD2-CD1 4.04Å; L144-I157 HydrophobicContact CG-CD1 4.36Å
158	D	95.1	Very high	96.8	Very high	14 Å²	14	47.9 Å²	47.9	8%	0.075	24%	0.24	C	C	.	.			trans	63.4	67.2	173.7	-158.2	21.9	0	0	0	114.8	K47 Y65 H135 N142 G160	K47-D158 IonicContact NZ-OD1 2.79Å; K47-D158 PolarHBondContact NZ-OD1 2.89Å; Y65-D158 PolarHBondContact OH-N 3.46Å; H135-D158 PolarHBondContact CE1-O 3.18Å; H135-D158 PolarHBondContact NE2-O 3.12Å; N142-D158 WeakPolarHBondContact OD1-CB 3.48Å; D158-G160 PolarHBondContact O-N 3.31Å
159	F	96.4	Very high	96.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-84.6	16.9	177	-62.8	-82.9	0	0	0	113.9	E61 V64 Y65 L68 I74 V128 H135 M156 L161 A162	E61-F159 HydrophobicContact CG-CB 4.13Å; V64-F159 HydrophobicContact CB-CB 3.95Å; V64-F159 HydrophobicContact CB-CG 4.34Å; V64-F159 HydrophobicContact CG1-CB 3.59Å; V64-F159 HydrophobicContact CG1-CD1 3.63Å; V64-F159 HydrophobicContact CG1-CD2 4.12Å; V64-F159 HydrophobicContact CG1-CE1 4.34Å; V64-F159 HydrophobicContact CG1-CG 3.5Å; V64-F159 VanDerWaalsContact CG1-CG 3.5Å; V64-F159 HydrophobicContact CG2-CB 4.45Å; Y65-F159 HydrophobicContact CD1-CD2 4.14Å; Y65-F159 HydrophobicContact CD1-CE2 4.11Å; Y65-F159 AromaticContact CE1-CD2 3.66Å; Y65-F159 HydrophobicContact CE1-CD2 3.66Å; Y65-F159 AromaticContact CE1-CE2 3.57Å; Y65-F159 HydrophobicContact CE1-CE2 3.57Å; Y65-F159 HydrophobicContact CE2-CD2 4.18Å; Y65-F159 AromaticContact CZ-CD2 3.68Å; L68-F159 HydrophobicContact CD1-CD1 4.19Å; L68-F159 HydrophobicContact CD1-CE1 3.62Å; L68-F159 HydrophobicContact CD1-CE2 4Å; L68-F159 HydrophobicContact CD1-CZ 3.53Å; I74-F159 HydrophobicContact CD1-CE2 4.25Å; I74-F159 HydrophobicContact CD1-CZ 3.79Å; V128-F159 HydrophobicContact CG1-CE1 4.28Å; V128-F159 HydrophobicContact CG2-CE1 3.81Å; V128-F159 HydrophobicContact CG2-CZ 4.17Å; H135-F159 AromaticContact CD2-CD1 3.94Å; H135-F159 AromaticContact CD2-CE1 3.74Å; M156-F159 HydrophobicContact CB-CZ 4.46Å; M156-F159 HydrophobicContact CG-CE1 4.36Å; M156-F159 HydrophobicContact CG-CZ 3.91Å; M156-F159 HydrophobicContact SD-CE1 3.94Å; M156-F159 HydrophobicContact SD-CZ 3.91Å; F159-L161 PolarHBondContact O-N 2.9Å; F159-A162 HydrophobicContact CB-CB 3.99Å; F159-A162 HydrophobicContact CD1-CB 4.11Å; F159-A162 VanDerWaalsContact O-CB 3.3Å; F159-A162 WeakPolarHBondContact O-CB 3.1Å; F159-A162 PolarHBondContact O-N 3.33Å
160	G	94.2	Very high	97	Very high	7 Å²	7	49.6 Å²	49.6	7%	0.072	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37	179.9	0	0	0	0	0	112.9	Q57 D158	Q57-G160 VanDerWaalsContact OE1-CA 3.23Å; Q57-G160 PolarHBondContact OE1-O 3.18Å; Q57-G160 VanDerWaalsContact OE1-O 3.09Å; D158-G160 PolarHBondContact O-N 3.31Å
161	L	95.5	Very high	97	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-92	2.3	177	-63.6	-179.6	0	0	0	113.9	F29 H135 R136 D137 F159 T183 N340 E342	F29-L161 HydrophobicContact CE2-CD2 4.5Å; F29-L161 HydrophobicContact CE2-CG 4.42Å; F29-L161 HydrophobicContact CZ-CD2 3.99Å; F29-L161 HydrophobicContact CZ-CG 4.33Å; H135-L161 CarbonylContact O-C 3.54Å; R136-L161 PolarHBondContact NE-O 3.02Å; R136-L161 PolarHBondContact NH2-O 3.44Å; D137-L161 HydrophobicContact CB-CD1 3.93Å; F159-L161 PolarHBondContact O-N 2.9Å; L161-T183 HydrophobicContact CD1-CG2 4.23Å; L161-T183 HydrophobicContact CD2-CG2 4.09Å; L161-N340 HydrophobicContact CD1-CB 4.5Å; L161-E342 HydrophobicContact CD2-CG 4.3Å; L161-E342 WeakPolarHBondContact CD2-OE1 3.48Å
162	A	97.7	Very high	97.1	Very high	6 Å²	6	54.8 Å²	54.8	5%	0.05	26%	0.258	C	S	.	.			trans	-63.2	153.2	-177.5	0	0	0	0	0	112.1	F60 V64 I134 F159	F60-A162 HydrophobicContact CE1-CB 4.11Å; F60-A162 WeakPolarHBondContact CE1-O 3.06Å; F60-A162 WeakPolarHBondContact CZ-O 3.47Å; V64-A162 HydrophobicContact CG2-CB 4.47Å; I134-A162 CarbonylContact O-C 3.5Å; I134-A162 WeakPolarHBondContact O-CA 3.36Å; I134-A162 WeakPolarHBondContact O-CB 3.47Å; F159-A162 HydrophobicContact CB-CB 3.99Å; F159-A162 HydrophobicContact CD1-CB 4.11Å; F159-A162 VanDerWaalsContact O-CB 3.3Å; F159-A162 WeakPolarHBondContact O-CB 3.1Å; F159-A162 PolarHBondContact O-N 3.33Å
163	K	97.7	Very high	97.2	Very high	55 Å²	55	54.3 Å²	54.3	24%	0.239	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.1	-179.2	-179.8	174.6	172.5	179.9	0	111.3	L133 I134 Y165 E198	L133-K163 CarbonylContact C-O 3.54Å; L133-K163 VanDerWaalsContact CA-O 3.32Å; L133-K163 WeakPolarHBondContact CA-O 3.22Å; I134-K163 HydrophobicContact CG1-CB 4.2Å; I134-K163 WeakPolarHBondContact CG1-O 3.23Å; I134-K163 PolarHBondContact N-O 3.41Å; I134-K163 PolarHBondContact O-N 2.99Å; K163-Y165 PolarHBondContact O-N 3.18Å; K163-E198 IonicContact NZ-OE1 2.81Å; K163-E198 PolarHBondContact NZ-OE1 3.07Å; K163-E198 IonicContact NZ-OE2 3.33Å; K163-E198 PolarHBondContact NZ-OE2 3.42Å
164	R	98.2	Very high	97.2	Very high	133 Å²	133	53.1 Å²	53.1	50%	0.502	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124	170.3	-70.8	-176.2	176.4	-166.5	-2.3	110.5	S132 L133	S132-R164 VanDerWaalsContact O-CA 3.25Å; S132-R164 WeakPolarHBondContact O-CA 3.26Å; L133-R164 HydrophobicContact CD2-CG 3.64Å
165	Y	98.4	Very high	97.2	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.008	28%	0.275	C	S	.	.			trans	-96.1	-11	176.5	75.6	-91.4	0	0	0	112.9	H129 S132 I134 K163 H173 I174 R201	H129-Y165 VanDerWaalsContact O-CE1 3.27Å; H129-Y165 WeakPolarHBondContact O-CE1 3.35Å; H129-Y165 PolarHBondContact O-OH 2.78Å; S132-Y165 VanDerWaalsContact C-CD1 3.42Å; S132-Y165 VanDerWaalsContact CA-CE1 3.47Å; S132-Y165 WeakPolarHBondContact O-CD1 3.36Å; S132-Y165 PolarHBondContact O-N 2.95Å; S132-Y165 VanDerWaalsContact O-N 3.13Å; I134-Y165 HydrophobicContact CG2-CD1 3.82Å; I134-Y165 HydrophobicContact CG2-CG 4.2Å; K163-Y165 PolarHBondContact O-N 3.18Å; Y165-H173 AromaticContact CD2-CD2 3.57Å; Y165-H173 AromaticContact CD2-NE2 3.51Å; Y165-I174 WeakPolarHBondContact O-CG1 3.47Å; Y165-I174 PolarHBondContact O-N 3.38Å; Y165-R201 HydrophobicContact CD1-CG 4.17Å; Y165-R201 HydrophobicContact CD2-CG 4.28Å; Y165-R201 HydrophobicContact CE1-CG 3.97Å; Y165-R201 HydrophobicContact CE2-CG 4.12Å; Y165-R201 VanDerWaalsContact CE2-CZ 3.47Å; Y165-R201 VanDerWaalsContact CE2-NE 3.27Å; Y165-R201 HydrophobicContact CG-CG 4.31Å; Y165-R201 VanDerWaalsContact CZ-CD 3.42Å
166	R	98.2	Very high	97.2	Very high	61 Å²	61	60.4 Å²	60.4	23%	0.23	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-147.5	157	174.8	66.6	179	-179.4	-153	-1.9	111.3	N130 S132 R172	N130-R166 PolarHBondContact O-NH2 3.34Å; S132-R166 PolarHBondContact OG-NE 2.82Å; R166-R172 CarbonylContact C-O 3.53Å; R166-R172 WeakPolarHBondContact CA-O 3.44Å; R166-R172 WeakPolarHBondContact CB-O 3.36Å
167	D	97.7	Very high	97.2	Very high	73 Å²	73	67.3 Å²	67.3	39%	0.39	32%	0.317	S	S	.	.			trans	-69.5	133.4	170.4	178.7	-100.3	0	0	0	110.6	R169 T170 G171 R172	D167-R169 VanDerWaalsContact C-N 3.32Å; D167-R169 PolarHBondContact O-N 3.04Å; D167-R169 PolarHBondContact OD1-N 3.33Å; D167-R169 VanDerWaalsContact OD1-N 3.08Å; D167-T170 VanDerWaalsContact CB-OG1 3.29Å; D167-T170 WeakPolarHBondContact CB-OG1 3.08Å; D167-T170 WeakPolarHBondContact OD1-CB 3.41Å; D167-T170 WeakPolarHBondContact OD1-CG2 3.24Å; D167-T170 PolarHBondContact OD1-N 3.24Å; D167-T170 PolarHBondContact OD1-OG1 3.44Å; D167-G171 VanDerWaalsContact O-CA 3.23Å; D167-G171 WeakPolarHBondContact O-CA 3.43Å; D167-G171 PolarHBondContact O-N 3.33Å; D167-R172 PolarHBondContact N-O 3.21Å
168	V	95.6	Very high	97.2	Very high	85 Å²	85	71.5 Å²	71.5	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.2	-172.1	178.2	0	0	0	0	112
169	R	96	Very high	97.2	Very high	226 Å²	226	78.4 Å²	78.4	85%	0.853	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-44.8	-175.9	-175.7	179.8	65.6	151.6	1.4	111.8	D167	D167-R169 VanDerWaalsContact C-N 3.32Å; D167-R169 PolarHBondContact O-N 3.04Å; D167-R169 PolarHBondContact OD1-N 3.33Å; D167-R169 VanDerWaalsContact OD1-N 3.08Å
170	T	97.3	Very high	97.2	Very high	86 Å²	86	81.7 Å²	81.7	53%	0.528	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-15.5	-174.2	62.2	0	0	0	0	112.9	D167 R172	D167-T170 VanDerWaalsContact CB-OG1 3.29Å; D167-T170 WeakPolarHBondContact CB-OG1 3.08Å; D167-T170 WeakPolarHBondContact OD1-CB 3.41Å; D167-T170 WeakPolarHBondContact OD1-CG2 3.24Å; D167-T170 PolarHBondContact OD1-N 3.24Å; D167-T170 PolarHBondContact OD1-OG1 3.44Å; T170-R172 PolarHBondContact O-N 3.07Å; T170-R172 VanDerWaalsContact O-N 3.13Å; T170-R172 WeakPolarHBondContact OG1-CB 3.4Å; T170-R172 PolarHBondContact OG1-N 2.95Å
171	G	96.2	Very high	97.2	Very high	45 Å²	45	84.9 Å²	84.9	46%	0.464	40%	0.402	S	S	.	.			trans	70.4	-1.2	-173.8	0	0	0	0	0	114.1	D167 H173	D167-G171 VanDerWaalsContact O-CA 3.23Å; D167-G171 WeakPolarHBondContact O-CA 3.43Å; D167-G171 PolarHBondContact O-N 3.33Å; G171-H173 PolarHBondContact O-N 2.66Å
172	R	98	Very high	97.1	Very high	187 Å²	187	85.8 Å²	85.8	71%	0.706	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-64.2	124.8	-176.4	-173.3	-179.2	179.4	-172.8	1.8	110.5	R166 D167 T170	R166-R172 CarbonylContact C-O 3.53Å; R166-R172 WeakPolarHBondContact CA-O 3.44Å; R166-R172 WeakPolarHBondContact CB-O 3.36Å; D167-R172 PolarHBondContact N-O 3.21Å; T170-R172 PolarHBondContact O-N 3.07Å; T170-R172 VanDerWaalsContact O-N 3.13Å; T170-R172 WeakPolarHBondContact OG1-CB 3.4Å; T170-R172 PolarHBondContact OG1-N 2.95Å
173	H	98.6	Very high	97	Very high	33 Å²	33	86.4 Å²	86.4	15%	0.153	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-63.4	148	175.4	-158.7	-82.9	0	0	0	111.2	Y165 G171 F269 D270	Y165-H173 AromaticContact CD2-CD2 3.57Å; Y165-H173 AromaticContact CD2-NE2 3.51Å; G171-H173 PolarHBondContact O-N 2.66Å; H173-F269 AromaticContact CE1-CD1 3.8Å; H173-F269 AromaticContact CE1-CE1 3.44Å; H173-F269 VanDerWaalsContact CE1-CE1 3.44Å; H173-F269 WeakPolarHBondContact CE1-CE1 3.46Å; H173-F269 AromaticContact CE1-CZ 3.63Å; H173-F269 PolarHBondContact CE1-O 2.85Å; H173-F269 AromaticContact ND1-CD1 3.93Å; H173-F269 AromaticContact ND1-CE1 3.47Å; H173-F269 WeakPolarHBondContact ND1-CE1 3.36Å; H173-F269 PolarHBondContact NE2-O 2.87Å; H173-D270 HydrophobicContact CB-CB 4.06Å
174	I	98.3	Very high	96.7	Very high	48 Å²	48	83.9 Å²	83.9	25%	0.246	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-59.9	152.9	169.8	60.5	173.3	0	0	0	110.1	Y165 E198 F269	Y165-I174 WeakPolarHBondContact O-CG1 3.47Å; Y165-I174 PolarHBondContact O-N 3.38Å; I174-E198 HydrophobicContact CD1-CG 3.88Å; I174-F269 HydrophobicContact CD1-CZ 4.19Å; I174-F269 HydrophobicContact CG1-CE1 4.38Å; I174-F269 HydrophobicContact CG1-CZ 3.91Å; I174-F269 VanDerWaalsContact O-CE1 3.3Å; I174-F269 WeakPolarHBondContact O-CE1 3.21Å
175	S	98	Very high	96.6	Very high	72 Å²	72	78.1 Å²	78.1	50%	0.503	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67.6	143.4	177.1	-55	0	0	0	0	111.5
176	Y	98.2	Very high	96.5	Very high	106 Å²	106	78.2 Å²	78.2	42%	0.416	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-60.2	137.1	167.3	-176.9	-92.4	0	0	0	109.9	E178 I197 F269	Y176-E178 HydrophobicContact CE1-CG 3.56Å; Y176-E178 VanDerWaalsContact CE1-OE1 3.3Å; Y176-E178 WeakPolarHBondContact CE1-OE1 3.39Å; Y176-E178 PolarHBondContact OH-OE1 2.82Å; Y176-I197 HydrophobicContact CD2-CG2 4.33Å; Y176-I197 HydrophobicContact CE2-CG2 3.46Å; Y176-I197 VanDerWaalsContact CE2-CG2 3.46Å; Y176-F269 VanDerWaalsContact CA-CE1 3.46Å; Y176-F269 HydrophobicContact CD2-CB 3.94Å; Y176-F269 AromaticContact CD2-CD1 3.93Å; Y176-F269 HydrophobicContact CD2-CD1 3.93Å; Y176-F269 HydrophobicContact CD2-CD2 4.14Å; Y176-F269 HydrophobicContact CD2-CE1 4.44Å; Y176-F269 AromaticContact CD2-CG 3.74Å; Y176-F269 HydrophobicContact CD2-CG 3.74Å; Y176-F269 HydrophobicContact CG-CD1 4.43Å
177	R	98	Very high	96.5	Very high	144 Å²	144	76.7 Å²	76.7	54%	0.543	38%	0.375	S	S	.	.			trans	-146.6	147.2	177.8	-61.7	-178.3	-176.3	-177.1	2.6	109	E198	R177-E198 HydrophobicContact CB-CB 4.17Å; R177-E198 WeakPolarHBondContact O-CB 3.18Å; R177-E198 PolarHBondContact O-N 3.37Å
178	E	97.6	Very high	96.5	Very high	116 Å²	116	73.3 Å²	73.3	54%	0.542	36%	0.356	S	S	.	.			trans	-109.7	-167.6	172.8	-61.3	179.9	-166	0	0	109.4	Y176 K180 G196 I197	Y176-E178 HydrophobicContact CE1-CG 3.56Å; Y176-E178 VanDerWaalsContact CE1-OE1 3.3Å; Y176-E178 WeakPolarHBondContact CE1-OE1 3.39Å; Y176-E178 PolarHBondContact OH-OE1 2.82Å; E178-K180 PolarHBondContact O-N 2.99Å; E178-K180 VanDerWaalsContact O-N 3.14Å; E178-G196 CarbonylContact C-O 3.18Å; E178-G196 WeakPolarHBondContact CA-O 3.3Å; E178-I197 HydrophobicContact CG-CG1 4.48Å
179	D	96	Very high	96.7	Very high	159 Å²	159	69.5 Å²	69.5	85%	0.85	33%	0.334	S	S	*	.			trans	55.1	31.1	178	-55.3	-48.1	0	0	0	114.6	G196	D179-G196 PolarHBondContact N-O 3.27Å; D179-G196 VanDerWaalsContact N-O 3.12Å
180	K	95.8	Very high	96.8	Very high	70 Å²	70	58.8 Å²	58.8	30%	0.304	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-82.2	146.7	172.9	-58.9	-55.1	-159.2	172.6	0	111.1	E178 G196 E198	E178-K180 PolarHBondContact O-N 2.99Å; E178-K180 VanDerWaalsContact O-N 3.14Å; K180-G196 VanDerWaalsContact CB-O 3.24Å; K180-G196 WeakPolarHBondContact CB-O 3.25Å; K180-G196 WeakPolarHBondContact CG-O 3.34Å; K180-G196 PolarHBondContact N-O 3.33Å; K180-G196 WeakPolarHBondContact O-CA 3.2Å; K180-E198 VanDerWaalsContact CE-CD 3.49Å; K180-E198 WeakPolarHBondContact CE-OE2 3.4Å; K180-E198 IonicContact NZ-OE2 2.9Å; K180-E198 PolarHBondContact NZ-OE2 3.03Å
181	N	94	Very high	96.8	Very high	74 Å²	74	55.9 Å²	55.9	40%	0.396	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-73.1	143.3	165	-66.2	-40.8	0	0	0	110.2	T183 H343	N181-T183 PolarHBondContact O-N 3Å; N181-T183 VanDerWaalsContact O-N 3.13Å; N181-T183 PolarHBondContact O-OG1 2.99Å; N181-H343 HydrophobicContact CB-CB 3.86Å; N181-H343 VanDerWaalsContact CG-CB 3.42Å; N181-H343 VanDerWaalsContact ND2-CB 3.31Å; N181-H343 WeakPolarHBondContact ND2-CB 3.22Å; N181-H343 PolarHBondContact ND2-O 2.68Å
182	L	94.6	Very high	96.9	Very high	21 Å²	21	55 Å²	55	11%	0.11	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53.6	121.7	172.5	179.2	64.5	0	0	0	109.5	A186 A189 A193 Y234 V341	L182-A186 HydrophobicContact CD2-CB 3.85Å; L182-A189 HydrophobicContact CD1-CB 3.8Å; L182-A193 HydrophobicContact CD1-CB 4.02Å; L182-A193 WeakPolarHBondContact CD1-O 3.4Å; L182-Y234 HydrophobicContact CD2-CG 4.35Å; L182-V341 VanDerWaalsContact O-O 3.14Å
183	T	93.7	Very high	96.9	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.117	23%	0.227	C	C	.	.			trans	-117	132.4	176.3	-55.7	0	0	0	0	108.7	L161 N181 Q199	L161-T183 HydrophobicContact CD1-CG2 4.23Å; L161-T183 HydrophobicContact CD2-CG2 4.09Å; N181-T183 PolarHBondContact O-N 3Å; N181-T183 VanDerWaalsContact O-N 3.13Å; N181-T183 PolarHBondContact O-OG1 2.99Å; T183-Q199 PolarHBondContact O-NE2 3.24Å
184	G	93.1	Very high	96.8	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	101.6	-171.7	-178.3	0	0	0	0	0	113.6	R136 A186	R136-G184 WeakPolarHBondContact O-CA 3.44Å; G184-A186 PolarHBondContact O-N 2.87Å
185	T	95	Very high	96.7	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	24%	0.237	C	C	.	.			trans	-79.9	110.2	-178.8	-58.3	0	0	0	0	111.2	D137 K139 R187 Y188 A189 N340	D137-T185 WeakPolarHBondContact OD1-CB 2.97Å; D137-T185 PolarHBondContact OD1-N 2.88Å; D137-T185 PolarHBondContact OD1-OG1 2.96Å; K139-T185 HydrophobicContact CD-CG2 4.42Å; K139-T185 WeakPolarHBondContact CD-OG1 3.13Å; K139-T185 PolarHBondContact NZ-OG1 3.12Å; T185-R187 HydrophobicContact CG2-CB 4.2Å; T185-R187 PolarHBondContact O-N 2.83Å; T185-Y188 HydrophobicContact CG2-CD2 3.8Å; T185-Y188 HydrophobicContact CG2-CE2 4.24Å; T185-Y188 PolarHBondContact O-N 2.93Å; T185-A189 PolarHBondContact O-N 2.71Å; T185-N340 PolarHBondContact OG1-OD1 3.13Å
186	A	96.8	Very high	96.7	Very high	4 Å²	4	45 Å²	45	3%	0.033	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-37.5	-174	0	0	0	0	0	114.5	L182 G184 Y188 H194 Y234 I237 K241	L182-A186 HydrophobicContact CD2-CB 3.85Å; G184-A186 PolarHBondContact O-N 2.87Å; A186-Y188 VanDerWaalsContact C-N 3.31Å; A186-Y188 PolarHBondContact O-N 3.49Å; A186-H194 PolarHBondContact O-NE2 3.26Å; A186-Y234 HydrophobicContact CB-CD1 3.65Å; A186-Y234 HydrophobicContact CB-CE1 3.92Å; A186-I237 HydrophobicContact CB-CD1 4.16Å; A186-K241 PolarHBondContact O-NZ 2.87Å
187	R	97.8	Very high	96.7	Very high	30 Å²	30	41 Å²	41	11%	0.113	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-40	176.8	-169.4	-170.4	-50.4	162.2	6.6	113.1	T185 L220 W222 Q223 K241 E338	T185-R187 HydrophobicContact CG2-CB 4.2Å; T185-R187 PolarHBondContact O-N 2.83Å; R187-L220 HydrophobicContact CG-CD1 4.11Å; R187-W222 PolarHBondContact O-NE1 3.09Å; R187-Q223 HydrophobicContact CG-CG 4.04Å; R187-K241 WeakPolarHBondContact O-CE 3.36Å; R187-K241 PolarHBondContact O-NZ 2.92Å; R187-E338 IonicContact CZ-OE2 2.74Å; R187-E338 IonicContact NE-OE2 2.69Å; R187-E338 PolarHBondContact NE-OE2 2.86Å; R187-E338 VanDerWaalsContact NE-OE2 3.07Å; R187-E338 IonicContact NH2-OE2 3.11Å; R187-E338 PolarHBondContact NH2-OE2 3.06Å
188	Y	98.5	Very high	96.7	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-14.1	-176.4	-51.7	-68.4	0	0	0	113.2	I138 K139 P140 T185 A186 S207 Y210 V211 Y214 L220	I138-Y188 VanDerWaalsContact O-CB 3.3Å; I138-Y188 WeakPolarHBondContact O-CB 3.36Å; K139-Y188 HydrophobicContact CB-CD2 3.4Å; K139-Y188 VanDerWaalsContact CB-CD2 3.4Å; K139-Y188 HydrophobicContact CB-CE2 3.62Å; K139-Y188 HydrophobicContact CB-CG 4.29Å; P140-Y188 VanDerWaalsContact CD-CE2 3.49Å; P140-Y188 WeakPolarHBondContact CD-OH 3.39Å; P140-Y188 HydrophobicContact CG-CE1 4.49Å; P140-Y188 HydrophobicContact CG-CE2 4.49Å; T185-Y188 HydrophobicContact CG2-CD2 3.8Å; T185-Y188 HydrophobicContact CG2-CE2 4.24Å; T185-Y188 PolarHBondContact O-N 2.93Å; A186-Y188 VanDerWaalsContact C-N 3.31Å; A186-Y188 PolarHBondContact O-N 3.49Å; Y188-S207 WeakPolarHBondContact O-CA 3.48Å; Y188-S207 WeakPolarHBondContact O-CB 3.36Å; Y188-S207 PolarHBondContact O-OG 3.13Å; Y188-Y210 WeakPolarHBondContact O-CD2 3.49Å; Y188-V211 HydrophobicContact CD1-CG2 3.63Å; Y188-V211 HydrophobicContact CE1-CG2 4Å; Y188-V211 HydrophobicContact CG-CG2 4.01Å; Y188-Y214 HydrophobicContact CE1-CD1 4.28Å; Y188-Y214 HydrophobicContact CE1-CG 4.13Å; Y188-Y214 WeakPolarHBondContact OH-CE1 3.29Å; Y188-L220 HydrophobicContact CD1-CD1 4.1Å; Y188-L220 HydrophobicContact CE1-CD1 3.98Å
189	A	98.2	Very high	96.7	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	15%	0.154	C	C	.	.	S	Bend	trans	-55.8	144.4	177.7	0	0	0	0	0	113	L182 T185 A193 K241	L182-A189 HydrophobicContact CD1-CB 3.8Å; T185-A189 PolarHBondContact O-N 2.71Å; A189-A193 HydrophobicContact CB-CB 4.2Å; A189-K241 PolarHBondContact O-NZ 3Å
190	S	98.4	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.			trans	-61.3	160.6	177	65.8	0	0	0	0	112.5	N192 A193 H194 D203 E206	S190-N192 VanDerWaalsContact C-N 3.26Å; S190-N192 PolarHBondContact O-N 2.83Å; S190-A193 PolarHBondContact O-N 3.33Å; S190-A193 WeakPolarHBondContact OG-CB 3.46Å; S190-A193 PolarHBondContact OG-N 3.33Å; S190-H194 PolarHBondContact O-CD2 3.14Å; S190-H194 PolarHBondContact O-N 3.03Å; S190-D203 VanDerWaalsContact CB-OD1 3.31Å; S190-D203 WeakPolarHBondContact CB-OD1 3.11Å; S190-D203 PolarHBondContact OG-OD1 2.95Å; S190-E206 WeakPolarHBondContact CA-OE1 3.46Å; S190-E206 WeakPolarHBondContact CB-OE2 3.46Å
191	I	98	Very high	97	Very high	25 Å²	25	19 Å²	19	13%	0.128	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-42.2	171.8	-70.8	174.4	0	0	0	110.4	A193 H194 L195 E206 K241 M242	I191-A193 VanDerWaalsContact C-N 3.3Å; I191-A193 PolarHBondContact O-N 3.34Å; I191-H194 WeakPolarHBondContact O-CB 3.24Å; I191-H194 PolarHBondContact O-N 3.26Å; I191-H194 VanDerWaalsContact O-N 3.07Å; I191-L195 HydrophobicContact CG2-CD1 3.81Å; I191-L195 HydrophobicContact CG2-CG 4.2Å; I191-L195 WeakPolarHBondContact O-CG 3.18Å; I191-L195 PolarHBondContact O-N 2.75Å; I191-E206 PolarHBondContact N-OE1 3.12Å; I191-K241 HydrophobicContact CG1-CB 4.17Å; I191-M242 HydrophobicContact CG2-CG 4.07Å
192	N	98.1	Very high	97.2	Very high	28 Å²	28	16.7 Å²	16.7	15%	0.15	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-40.8	177.1	-69.3	-42.6	0	0	0	112.4	S190 H194 L195 G196 I197 R202 D203	S190-N192 VanDerWaalsContact C-N 3.26Å; S190-N192 PolarHBondContact O-N 2.83Å; N192-H194 VanDerWaalsContact C-N 3.31Å; N192-H194 PolarHBondContact O-N 3.19Å; N192-L195 CarbonylContact O-C 3.48Å; N192-L195 PolarHBondContact O-N 3.32Å; N192-L195 VanDerWaalsContact O-N 3.16Å; N192-G196 PolarHBondContact O-N 3.42Å; N192-I197 HydrophobicContact CB-CB 4.08Å; N192-I197 HydrophobicContact CB-CD1 4.28Å; N192-I197 HydrophobicContact CB-CG2 4.4Å; N192-I197 WeakPolarHBondContact O-CB 3.32Å; N192-I197 PolarHBondContact O-N 2.73Å; N192-R202 PolarHBondContact ND2-NE 2.78Å; N192-D203 WeakPolarHBondContact CB-OD1 3.35Å
193	A	97.7	Very high	97.4	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-35.2	176.6	0	0	0	0	0	112.4	L182 A189 S190 I191 G196 Q199	L182-A193 HydrophobicContact CD1-CB 4.02Å; L182-A193 WeakPolarHBondContact CD1-O 3.4Å; A189-A193 HydrophobicContact CB-CB 4.2Å; S190-A193 PolarHBondContact O-N 3.33Å; S190-A193 WeakPolarHBondContact OG-CB 3.46Å; S190-A193 PolarHBondContact OG-N 3.33Å; I191-A193 VanDerWaalsContact C-N 3.3Å; I191-A193 PolarHBondContact O-N 3.34Å; A193-G196 PolarHBondContact O-N 3.03Å; A193-Q199 HydrophobicContact CB-CG 3.93Å
194	H	97.3	Very high	97.7	Very high	29 Å²	29	14.9 Å²	14.9	13%	0.134	8%	0.076	C	C	.	.	H	α-helix	trans	-68.5	-33.1	172.2	-82.3	-76.6	0	0	0	113	A186 S190 I191 N192 G196 S238	A186-H194 PolarHBondContact O-NE2 3.26Å; S190-H194 PolarHBondContact O-CD2 3.14Å; S190-H194 PolarHBondContact O-N 3.03Å; I191-H194 WeakPolarHBondContact O-CB 3.24Å; I191-H194 PolarHBondContact O-N 3.26Å; I191-H194 VanDerWaalsContact O-N 3.07Å; N192-H194 VanDerWaalsContact C-N 3.31Å; N192-H194 PolarHBondContact O-N 3.19Å; H194-G196 PolarHBondContact O-N 3.32Å; H194-S238 WeakPolarHBondContact CB-OG 3.34Å
195	L	96.4	Very high	98	Very high	92 Å²	92	14.8 Å²	14.8	48%	0.482	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	5.5	176.2	-64.8	175.9	0	0	0	113.4	I191 N192 I197 M242	I191-L195 HydrophobicContact CG2-CD1 3.81Å; I191-L195 HydrophobicContact CG2-CG 4.2Å; I191-L195 WeakPolarHBondContact O-CG 3.18Å; I191-L195 PolarHBondContact O-N 2.75Å; N192-L195 CarbonylContact O-C 3.48Å; N192-L195 PolarHBondContact O-N 3.32Å; N192-L195 VanDerWaalsContact O-N 3.16Å; L195-I197 VanDerWaalsContact C-N 3.26Å; L195-I197 HydrophobicContact CB-CD1 4.22Å; L195-I197 HydrophobicContact CB-CG1 4.33Å; L195-I197 PolarHBondContact O-N 2.82Å; L195-M242 HydrophobicContact CD2-SD 4.02Å
196	G	96.9	Very high	98.1	Very high	7 Å²	7	14.4 Å²	14.4	7%	0.072	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	21.3	179.8	0	0	0	0	0	114.2	E178 D179 K180 N192 A193 H194	E178-G196 CarbonylContact C-O 3.18Å; E178-G196 WeakPolarHBondContact CA-O 3.3Å; D179-G196 PolarHBondContact N-O 3.27Å; D179-G196 VanDerWaalsContact N-O 3.12Å; K180-G196 VanDerWaalsContact CB-O 3.24Å; K180-G196 WeakPolarHBondContact CB-O 3.25Å; K180-G196 WeakPolarHBondContact CG-O 3.34Å; K180-G196 PolarHBondContact N-O 3.33Å; K180-G196 WeakPolarHBondContact O-CA 3.2Å; N192-G196 PolarHBondContact O-N 3.42Å; A193-G196 PolarHBondContact O-N 3.03Å; H194-G196 PolarHBondContact O-N 3.32Å
197	I	98.2	Very high	98.2	Very high	21 Å²	21	14.4 Å²	14.4	11%	0.108	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-82.4	140.3	174	-61.9	168.7	0	0	0	109	Y176 E178 N192 L195 Q199	Y176-I197 HydrophobicContact CD2-CG2 4.33Å; Y176-I197 HydrophobicContact CE2-CG2 3.46Å; Y176-I197 VanDerWaalsContact CE2-CG2 3.46Å; E178-I197 HydrophobicContact CG-CG1 4.48Å; N192-I197 HydrophobicContact CB-CB 4.08Å; N192-I197 HydrophobicContact CB-CD1 4.28Å; N192-I197 HydrophobicContact CB-CG2 4.4Å; N192-I197 WeakPolarHBondContact O-CB 3.32Å; N192-I197 PolarHBondContact O-N 2.73Å; L195-I197 VanDerWaalsContact C-N 3.26Å; L195-I197 HydrophobicContact CB-CD1 4.22Å; L195-I197 HydrophobicContact CB-CG1 4.33Å; L195-I197 PolarHBondContact O-N 2.82Å; I197-Q199 PolarHBondContact O-N 2.92Å
198	E	98.4	Very high	98.3	Very high	8 Å²	8	13 Å²	13	4%	0.037	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-53.4	130.5	174.2	-173.7	69	-93	0	0	110.6	K163 I174 R177 K180 F269	K163-E198 IonicContact NZ-OE1 2.81Å; K163-E198 PolarHBondContact NZ-OE1 3.07Å; K163-E198 IonicContact NZ-OE2 3.33Å; K163-E198 PolarHBondContact NZ-OE2 3.42Å; I174-E198 HydrophobicContact CD1-CG 3.88Å; R177-E198 HydrophobicContact CB-CB 4.17Å; R177-E198 WeakPolarHBondContact O-CB 3.18Å; R177-E198 PolarHBondContact O-N 3.37Å; K180-E198 VanDerWaalsContact CE-CD 3.49Å; K180-E198 WeakPolarHBondContact CE-OE2 3.4Å; K180-E198 IonicContact NZ-OE2 2.9Å; K180-E198 PolarHBondContact NZ-OE2 3.03Å; E198-F269 HydrophobicContact CB-CE2 3.98Å; E198-F269 HydrophobicContact CB-CZ 4.1Å; E198-F269 HydrophobicContact CG-CE2 4.06Å; E198-F269 HydrophobicContact CG-CZ 3.91Å; E198-F269 WeakPolarHBondContact O-CE2 3.41Å
199	Q	98.7	Very high	98.3	Very high	8 Å²	8	13 Å²	13	4%	0.037	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-78.5	148.5	-178.1	-71.2	-179	68	0	0	111.3	I134 R136 T183 A193 I197 D203	I134-Q199 HydrophobicContact CD1-CB 4.07Å; I134-Q199 VanDerWaalsContact CD1-O 3.24Å; I134-Q199 WeakPolarHBondContact CD1-O 3.37Å; R136-Q199 HydrophobicContact CG-CB 4.26Å; T183-Q199 PolarHBondContact O-NE2 3.24Å; A193-Q199 HydrophobicContact CB-CG 3.93Å; I197-Q199 PolarHBondContact O-N 2.92Å; Q199-D203 WeakPolarHBondContact CA-OD2 3.32Å; Q199-D203 HydrophobicContact CB-CB 4.23Å; Q199-D203 HydrophobicContact CG-CB 4.18Å
200	S	98.6	Very high	98.3	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	7%	0.066	C	C	.	.			trans	-145.2	-171.4	-179	65.2	0	0	0	0	109.7	R202 D203 F269	S200-R202 PolarHBondContact O-N 3.29Å; S200-R202 WeakPolarHBondContact OG-CG 3.45Å; S200-D203 PolarHBondContact N-OD2 3.42Å; S200-D203 WeakPolarHBondContact O-CB 3.23Å; S200-D203 PolarHBondContact O-N 3.46Å; S200-D203 VanDerWaalsContact O-N 3.1Å; S200-D203 PolarHBondContact OG-OD2 2.95Å; S200-F269 WeakPolarHBondContact CB-O 3.33Å; S200-F269 PolarHBondContact OG-O 3.26Å
201	R	98.8	Very high	98.4	Very high	9 Å²	9	12.8 Å²	12.8	3%	0.034	7%	0.066	C	C	.	.	H	α-helix	trans	-59	-33.3	-177.6	-66.6	172.8	-78.1	-177.5	3.1	113.3	H129 I134 Y165 D203 D204 L205 D270 E271 T272 P273	H129-R201 HydrophobicContact CB-CG 4.27Å; H129-R201 PolarHBondContact CE1-O 3.13Å; I134-R201 HydrophobicContact CG2-CG 3.94Å; Y165-R201 HydrophobicContact CD1-CG 4.17Å; Y165-R201 HydrophobicContact CD2-CG 4.28Å; Y165-R201 HydrophobicContact CE1-CG 3.97Å; Y165-R201 HydrophobicContact CE2-CG 4.12Å; Y165-R201 VanDerWaalsContact CE2-CZ 3.47Å; Y165-R201 VanDerWaalsContact CE2-NE 3.27Å; Y165-R201 HydrophobicContact CG-CG 4.31Å; Y165-R201 VanDerWaalsContact CZ-CD 3.42Å; R201-D203 PolarHBondContact O-N 2.95Å; R201-D204 PolarHBondContact O-N 3.47Å; R201-L205 WeakPolarHBondContact O-CG 3.31Å; R201-L205 PolarHBondContact O-N 3.23Å; R201-D270 PolarHBondContact NH2-O 2.74Å; R201-E271 VanDerWaalsContact NH2-C 3.33Å; R201-E271 PolarHBondContact NH2-O 3.08Å; R201-T272 PolarHBondContact NH1-OG1 2.79Å; R201-T272 PolarHBondContact NH2-OG1 3.26Å; R201-P273 HydrophobicContact CB-CG 4Å
202	R	98.7	Very high	98.4	Very high	27 Å²	27	11.6 Å²	11.6	10%	0.102	6%	0.06	C	C	.	.	H	α-helix	trans	-62.7	-29.8	179.1	74.3	-166.2	174.2	164.4	0.9	112.4	N192 S200 L205 E206 L267	N192-R202 PolarHBondContact ND2-NE 2.78Å; S200-R202 PolarHBondContact O-N 3.29Å; S200-R202 WeakPolarHBondContact OG-CG 3.45Å; R202-L205 PolarHBondContact O-N 3.45Å; R202-E206 WeakPolarHBondContact O-CB 3.42Å; R202-E206 PolarHBondContact O-N 3.18Å; R202-L267 HydrophobicContact CB-CB 3.67Å; R202-L267 HydrophobicContact CB-CD1 3.76Å; R202-L267 HydrophobicContact CB-CG 4.39Å; R202-L267 WeakPolarHBondContact CD-O 3.45Å; R202-L267 PolarHBondContact NH1-O 3.12Å
203	D	98.8	Very high	98.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-75.6	-40.1	-176.2	-57.1	-79.3	0	0	0	111.7	S190 N192 Q199 S200 R201 L205 S207	S190-D203 VanDerWaalsContact CB-OD1 3.31Å; S190-D203 WeakPolarHBondContact CB-OD1 3.11Å; S190-D203 PolarHBondContact OG-OD1 2.95Å; N192-D203 WeakPolarHBondContact CB-OD1 3.35Å; Q199-D203 WeakPolarHBondContact CA-OD2 3.32Å; Q199-D203 HydrophobicContact CB-CB 4.23Å; Q199-D203 HydrophobicContact CG-CB 4.18Å; S200-D203 PolarHBondContact N-OD2 3.42Å; S200-D203 WeakPolarHBondContact O-CB 3.23Å; S200-D203 PolarHBondContact O-N 3.46Å; S200-D203 VanDerWaalsContact O-N 3.1Å; S200-D203 PolarHBondContact OG-OD2 2.95Å; R201-D203 PolarHBondContact O-N 2.95Å; D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 3.02Å; D203-S207 VanDerWaalsContact O-CB 3.29Å; D203-S207 WeakPolarHBondContact O-CB 3.38Å; D203-S207 PolarHBondContact O-N 3.41Å; D203-S207 PolarHBondContact O-OG 2.9Å
204	D	98.9	Very high	98.5	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-39.2	171.6	-79.5	-15.3	0	0	0	111.2	I125 H129 I134 H135 R136 I138 R201 S207 L208	I125-D204 HydrophobicContact CG2-CB 4.25Å; H129-D204 IonicContact CD2-OD2 3.17Å; H129-D204 IonicContact CE1-OD2 3.62Å; H129-D204 IonicContact NE2-OD2 3.07Å; H129-D204 PolarHBondContact NE2-OD2 3.47Å; I134-D204 WeakPolarHBondContact CA-OD2 3.48Å; I134-D204 WeakPolarHBondContact CB-OD2 3.42Å; H135-D204 PolarHBondContact N-OD2 2.63Å; R136-D204 WeakPolarHBondContact CA-OD1 3.49Å; R136-D204 PolarHBondContact N-OD1 3.5Å; I138-D204 HydrophobicContact CG1-CB 3.95Å; R201-D204 PolarHBondContact O-N 3.47Å; D204-S207 PolarHBondContact O-N 2.73Å; D204-L208 PolarHBondContact O-N 3.29Å
205	L	98.9	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-71.3	-42.5	178.8	-67.5	173.8	0	0	0	112.7	L122 I125 R201 R202 D203 S207 L208 G209 Y260 C264 L267 P273 Y275 L278	L122-L205 HydrophobicContact CD2-CD2 3.68Å; I125-L205 HydrophobicContact CG2-CD2 4.07Å; R201-L205 WeakPolarHBondContact O-CG 3.31Å; R201-L205 PolarHBondContact O-N 3.23Å; R202-L205 PolarHBondContact O-N 3.45Å; D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 3.02Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.15Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.75Å; L205-G209 PolarHBondContact O-N 2.99Å; L205-Y260 VanDerWaalsContact O-CE1 3.26Å; L205-Y260 WeakPolarHBondContact O-CE1 3.47Å; L205-Y260 PolarHBondContact O-OH 3Å; L205-C264 HydrophobicContact CB-CB 4.45Å; L205-L267 HydrophobicContact CD1-CD1 4.17Å; L205-P273 HydrophobicContact CD1-CB 3.38Å; L205-P273 HydrophobicContact CD1-CG 3.44Å; L205-P273 VanDerWaalsContact CD1-CG 3.44Å; L205-Y275 HydrophobicContact CD1-CE1 4.17Å; L205-Y275 HydrophobicContact CD2-CD1 4.37Å; L205-Y275 HydrophobicContact CD2-CE1 4.12Å; L205-L278 HydrophobicContact CD1-CD1 3.92Å; L205-L278 HydrophobicContact CD2-CD1 4.2Å
206	E	98.9	Very high	98.7	Very high	3 Å²	3	5.3 Å²	5.3	1%	0.014	3%	0.027	C	C	.	.	H	α-helix	trans	-61.2	-42.6	172.9	-172	-175.8	148.6	0	0	110.8	S190 I191 R202 L208 G209 Y210 C264	S190-E206 WeakPolarHBondContact CA-OE1 3.46Å; S190-E206 WeakPolarHBondContact CB-OE2 3.46Å; I191-E206 PolarHBondContact N-OE1 3.12Å; R202-E206 WeakPolarHBondContact O-CB 3.42Å; R202-E206 PolarHBondContact O-N 3.18Å; E206-L208 VanDerWaalsContact C-N 3.33Å; E206-L208 PolarHBondContact O-N 3.45Å; E206-G209 WeakPolarHBondContact O-CA 3.16Å; E206-G209 PolarHBondContact O-N 3.43Å; E206-Y210 HydrophobicContact CG-CD2 4.49Å; E206-Y210 HydrophobicContact CG-CE2 3.74Å; E206-Y210 PolarHBondContact O-N 2.96Å; E206-Y210 VanDerWaalsContact O-N 3.09Å; E206-Y210 WeakPolarHBondContact OE1-CE2 3.19Å; E206-Y210 VanDerWaalsContact OE1-CZ 3.29Å; E206-Y210 PolarHBondContact OE1-OH 3Å; E206-C264 HydrophobicContact CB-CB 4.19Å
207	S	98.9	Very high	98.7	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-60.2	-42.2	176.5	-57.1	0	0	0	0	111.8	Y188 D203 D204 L205 G209 Y210 V211	Y188-S207 WeakPolarHBondContact O-CA 3.48Å; Y188-S207 WeakPolarHBondContact O-CB 3.36Å; Y188-S207 PolarHBondContact O-OG 3.13Å; D203-S207 VanDerWaalsContact O-CB 3.29Å; D203-S207 WeakPolarHBondContact O-CB 3.38Å; D203-S207 PolarHBondContact O-N 3.41Å; D203-S207 PolarHBondContact O-OG 2.9Å; D204-S207 PolarHBondContact O-N 2.73Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.15Å; S207-G209 VanDerWaalsContact C-N 3.3Å; S207-G209 PolarHBondContact O-N 3.04Å; S207-Y210 PolarHBondContact O-N 2.99Å; S207-V211 WeakPolarHBondContact O-CG2 3.47Å; S207-V211 PolarHBondContact O-N 3.07Å
208	L	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.1	-41.2	172.5	-178.5	68	0	0	0	111.6	M121 L122 I125 I138 D204 L205 E206 Y210 V211 L212	M121-L208 HydrophobicContact CB-CD1 3.76Å; M121-L208 HydrophobicContact CB-CD2 4.4Å; M121-L208 HydrophobicContact CE-CD1 3.32Å; M121-L208 HydrophobicContact CG-CD1 4.42Å; M121-L208 HydrophobicContact SD-CD1 3.92Å; L122-L208 HydrophobicContact CB-CD2 4.49Å; L122-L208 HydrophobicContact CD2-CD2 3.59Å; L122-L208 HydrophobicContact CG-CD2 3.55Å; I125-L208 HydrophobicContact CD1-CB 3.96Å; I125-L208 HydrophobicContact CD1-CD1 4.26Å; I125-L208 HydrophobicContact CD1-CD2 3.83Å; I125-L208 HydrophobicContact CD1-CG 4.23Å; I138-L208 HydrophobicContact CG2-CB 4.12Å; I138-L208 HydrophobicContact CG2-CD1 4.46Å; D204-L208 PolarHBondContact O-N 3.29Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.75Å; E206-L208 VanDerWaalsContact C-N 3.33Å; E206-L208 PolarHBondContact O-N 3.45Å; L208-Y210 VanDerWaalsContact C-N 3.28Å; L208-Y210 PolarHBondContact O-N 2.81Å; L208-V211 WeakPolarHBondContact O-CA 3.5Å; L208-V211 WeakPolarHBondContact O-CB 3.17Å; L208-V211 PolarHBondContact O-N 3.03Å; L208-L212 HydrophobicContact CD1-CG 4.46Å; L208-L212 HydrophobicContact CG-CD1 4.33Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CG 3.09Å; L208-L212 PolarHBondContact O-N 2.73Å
209	G	98.9	Very high	98.7	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-57.4	-41	176.4	0	0	0	0	0	112.5	L205 E206 S207 L212 M213 Y260	L205-G209 PolarHBondContact O-N 2.99Å; E206-G209 WeakPolarHBondContact O-CA 3.16Å; E206-G209 PolarHBondContact O-N 3.43Å; S207-G209 VanDerWaalsContact C-N 3.3Å; S207-G209 PolarHBondContact O-N 3.04Å; G209-L212 PolarHBondContact O-N 2.91Å; G209-M213 WeakPolarHBondContact O-CG 3.3Å; G209-M213 PolarHBondContact O-N 3.39Å; G209-Y260 VanDerWaalsContact CA-CE1 3.48Å
210	Y	98.9	Very high	98.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.2	-38.5	172.7	-61.5	-40.8	0	0	0	112.9	Y188 E206 S207 L208 M213 Y214 W222 L249 L261 R265	Y188-Y210 WeakPolarHBondContact O-CD2 3.49Å; E206-Y210 HydrophobicContact CG-CD2 4.49Å; E206-Y210 HydrophobicContact CG-CE2 3.74Å; E206-Y210 PolarHBondContact O-N 2.96Å; E206-Y210 VanDerWaalsContact O-N 3.09Å; E206-Y210 WeakPolarHBondContact OE1-CE2 3.19Å; E206-Y210 VanDerWaalsContact OE1-CZ 3.29Å; E206-Y210 PolarHBondContact OE1-OH 3Å; S207-Y210 PolarHBondContact O-N 2.99Å; L208-Y210 VanDerWaalsContact C-N 3.28Å; L208-Y210 PolarHBondContact O-N 2.81Å; Y210-M213 PolarHBondContact O-N 3.24Å; Y210-Y214 VanDerWaalsContact O-CB 3.23Å; Y210-Y214 WeakPolarHBondContact O-CB 3.18Å; Y210-Y214 PolarHBondContact O-N 2.72Å; Y210-W222 AromaticContact CD1-CH2 3.53Å; Y210-W222 HydrophobicContact CD1-CH2 3.53Å; Y210-W222 AromaticContact CD1-CZ2 3.57Å; Y210-W222 HydrophobicContact CD1-CZ2 3.57Å; Y210-W222 HydrophobicContact CD2-CZ2 4.43Å; Y210-W222 AromaticContact CE1-CH2 3.53Å; Y210-W222 HydrophobicContact CE1-CH2 3.53Å; Y210-W222 AromaticContact CE1-CZ2 3.91Å; Y210-W222 HydrophobicContact CE1-CZ2 3.91Å; Y210-W222 HydrophobicContact CG-CH2 4.29Å; Y210-W222 AromaticContact CG-CZ2 3.87Å; Y210-W222 HydrophobicContact CG-CZ2 3.87Å; Y210-L249 HydrophobicContact CD1-CD2 3.97Å; Y210-L249 HydrophobicContact CE1-CD2 4Å; Y210-L261 HydrophobicContact CD1-CD2 4.3Å; Y210-L261 HydrophobicContact CE1-CD2 4.18Å; Y210-R265 PolarHBondContact OH-NH2 2.94Å
211	V	98.9	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-43.2	174.3	171.4	0	0	0	0	111.7	M121 I138 P140 Y188 S207 L208 Y214 F215	M121-V211 HydrophobicContact CE-CG1 3.83Å; I138-V211 HydrophobicContact CG2-CG2 4.41Å; P140-V211 HydrophobicContact CG-CG1 3.95Å; P140-V211 HydrophobicContact CG-CG2 4.46Å; Y188-V211 HydrophobicContact CD1-CG2 3.63Å; Y188-V211 HydrophobicContact CE1-CG2 4Å; Y188-V211 HydrophobicContact CG-CG2 4.01Å; S207-V211 WeakPolarHBondContact O-CG2 3.47Å; S207-V211 PolarHBondContact O-N 3.07Å; L208-V211 WeakPolarHBondContact O-CA 3.5Å; L208-V211 WeakPolarHBondContact O-CB 3.17Å; L208-V211 PolarHBondContact O-N 3.03Å; V211-Y214 WeakPolarHBondContact O-CB 3.39Å; V211-Y214 PolarHBondContact O-N 2.83Å; V211-F215 HydrophobicContact CG1-CD2 4.02Å; V211-F215 HydrophobicContact CG1-CE2 3.4Å; V211-F215 HydrophobicContact CG1-CZ 3.69Å; V211-F215 WeakPolarHBondContact O-CD2 3.49Å; V211-F215 WeakPolarHBondContact O-CG 3.1Å; V211-F215 PolarHBondContact O-N 3Å
212	L	98.9	Very high	98.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-64.4	-43.4	177.3	-64.4	-179.8	0	0	0	111.5	V114 A118 L208 G209 Y214 F215 N216 F257 F282	V114-L212 HydrophobicContact CG1-CB 4.5Å; V114-L212 HydrophobicContact CG1-CD2 4.12Å; A118-L212 HydrophobicContact CB-CD1 3.85Å; A118-L212 HydrophobicContact CB-CD2 3.72Å; A118-L212 HydrophobicContact CB-CG 4.46Å; L208-L212 HydrophobicContact CD1-CG 4.46Å; L208-L212 HydrophobicContact CG-CD1 4.33Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CG 3.09Å; L208-L212 PolarHBondContact O-N 2.73Å; G209-L212 PolarHBondContact O-N 2.91Å; L212-Y214 VanDerWaalsContact C-N 3.31Å; L212-Y214 PolarHBondContact O-N 3.39Å; L212-F215 PolarHBondContact O-N 2.74Å; L212-N216 PolarHBondContact O-N 3.24Å; L212-N216 PolarHBondContact O-ND2 2.95Å; L212-F257 HydrophobicContact CB-CD1 4.36Å; L212-F257 HydrophobicContact CB-CE1 4.12Å; L212-F282 HydrophobicContact CD1-CE2 3.77Å; L212-F282 HydrophobicContact CD1-CZ 3.69Å
213	M	98.8	Very high	98.5	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-67.8	-32.3	175.8	-70.4	-49.6	-50.6	0	0	112.9	G209 Y210 N216 R217 L220 L249 C250 Y253 F257 L261	G209-M213 WeakPolarHBondContact O-CG 3.3Å; G209-M213 PolarHBondContact O-N 3.39Å; Y210-M213 PolarHBondContact O-N 3.24Å; M213-N216 HydrophobicContact CE-CB 4.33Å; M213-N216 PolarHBondContact O-N 3.17Å; M213-R217 HydrophobicContact CE-CG 3.99Å; M213-R217 VanDerWaalsContact O-CB 3.23Å; M213-R217 WeakPolarHBondContact O-CB 3.45Å; M213-R217 VanDerWaalsContact O-CG 3.23Å; M213-R217 WeakPolarHBondContact O-CG 3.33Å; M213-R217 PolarHBondContact O-N 3.13Å; M213-L220 HydrophobicContact CB-CD2 4.2Å; M213-L249 HydrophobicContact CB-CD1 4.38Å; M213-L249 HydrophobicContact CB-CD2 4.49Å; M213-L249 HydrophobicContact CB-CG 4.32Å; M213-L249 VanDerWaalsContact CE-O 3.27Å; M213-L249 WeakPolarHBondContact CE-O 3.45Å; M213-L249 HydrophobicContact CG-CD2 4.31Å; M213-L249 HydrophobicContact CG-CG 4.19Å; M213-C250 VanDerWaalsContact SD-SG 3.69Å; M213-Y253 HydrophobicContact CE-CD2 3.73Å; M213-Y253 HydrophobicContact CE-CE2 4.18Å; M213-Y253 HydrophobicContact CE-CG 4.14Å; M213-F257 HydrophobicContact SD-CB 3.7Å; M213-F257 HydrophobicContact SD-CD1 3.91Å; M213-F257 HydrophobicContact SD-CG 3.85Å; M213-L261 HydrophobicContact CG-CD1 4.05Å
214	Y	98.8	Very high	98.3	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-47.2	172.2	169.9	-108.6	0	0	0	111.7	E99 F102 R107 P140 Y188 Y210 V211 L212 N216 R217 G218 L220	E99-Y214 VanDerWaalsContact CD-OH 3.26Å; E99-Y214 PolarHBondContact OE1-OH 3.21Å; E99-Y214 VanDerWaalsContact OE2-CE1 3.23Å; E99-Y214 WeakPolarHBondContact OE2-CE1 3.46Å; E99-Y214 PolarHBondContact OE2-OH 2.67Å; F102-Y214 HydrophobicContact CD1-CD1 4.43Å; F102-Y214 AromaticContact CD1-CE1 3.6Å; F102-Y214 HydrophobicContact CD1-CE1 3.6Å; F102-Y214 AromaticContact CD1-CZ 3.81Å; F102-Y214 HydrophobicContact CE1-CD1 4.1Å; F102-Y214 AromaticContact CE1-CE1 3.54Å; F102-Y214 HydrophobicContact CE1-CE1 3.54Å; F102-Y214 HydrophobicContact CE1-CE2 4.1Å; F102-Y214 AromaticContact CE1-CZ 3.57Å; F102-Y214 HydrophobicContact CZ-CE1 4.46Å; R107-Y214 PolarHBondContact NH1-OH 2.95Å; R107-Y214 PolarHBondContact NH2-OH 2.81Å; P140-Y214 HydrophobicContact CG-CD1 3.96Å; P140-Y214 HydrophobicContact CG-CE1 3.89Å; Y188-Y214 HydrophobicContact CE1-CD1 4.28Å; Y188-Y214 HydrophobicContact CE1-CG 4.13Å; Y188-Y214 WeakPolarHBondContact OH-CE1 3.29Å; Y210-Y214 VanDerWaalsContact O-CB 3.23Å; Y210-Y214 WeakPolarHBondContact O-CB 3.18Å; Y210-Y214 PolarHBondContact O-N 2.72Å; V211-Y214 WeakPolarHBondContact O-CB 3.39Å; V211-Y214 PolarHBondContact O-N 2.83Å; L212-Y214 VanDerWaalsContact C-N 3.31Å; L212-Y214 PolarHBondContact O-N 3.39Å; Y214-N216 PolarHBondContact O-N 3.43Å; Y214-R217 PolarHBondContact O-N 3.34Å; Y214-G218 PolarHBondContact O-N 3.02Å; Y214-L220 HydrophobicContact CD2-CG 4.26Å
215	F	98.8	Very high	98.1	Very high	1 Å²	1	19 Å²	19	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-40.1	176.4	-65.7	-36.2	0	0	0	113.2	L98 F102 F109 V114 L117 M121 P140 V211 L212	L98-F215 HydrophobicContact CB-CE1 4.43Å; L98-F215 HydrophobicContact CB-CZ 3.8Å; L98-F215 HydrophobicContact CD1-CE2 4.21Å; L98-F215 HydrophobicContact CD1-CZ 4.1Å; F102-F215 HydrophobicContact CB-CD1 4.42Å; F102-F215 HydrophobicContact CB-CE1 4.28Å; F102-F215 HydrophobicContact CD1-CD1 4.35Å; F102-F215 AromaticContact CD2-CD1 3.82Å; F102-F215 HydrophobicContact CD2-CD1 3.82Å; F102-F215 HydrophobicContact CD2-CE1 4.48Å; F102-F215 HydrophobicContact CE2-CB 4.35Å; F102-F215 HydrophobicContact CE2-CD1 4.01Å; F102-F215 WeakPolarHBondContact CE2-O 3.34Å; F102-F215 AromaticContact CG-CD1 3.98Å; F102-F215 HydrophobicContact CG-CD1 3.98Å; F102-F215 HydrophobicContact CG-CE1 4.27Å; F102-F215 HydrophobicContact CZ-CD1 4.32Å; F109-F215 HydrophobicContact CD2-CB 3.88Å; F109-F215 AromaticContact CD2-CD1 3.82Å; F109-F215 HydrophobicContact CD2-CD1 3.82Å; F109-F215 HydrophobicContact CD2-CD2 4.32Å; F109-F215 HydrophobicContact CD2-CE1 4.42Å; F109-F215 AromaticContact CD2-CG 3.77Å; F109-F215 HydrophobicContact CD2-CG 3.77Å; F109-F215 AromaticContact CE2-CD1 3.73Å; F109-F215 HydrophobicContact CE2-CD1 3.73Å; F109-F215 HydrophobicContact CE2-CD2 4.47Å; F109-F215 AromaticContact CE2-CE1 3.89Å; F109-F215 HydrophobicContact CE2-CE1 3.89Å; F109-F215 HydrophobicContact CE2-CG 4.05Å; F109-F215 HydrophobicContact CE2-CZ 4.33Å; V114-F215 HydrophobicContact CG2-CB 3.78Å; L117-F215 HydrophobicContact CD1-CE2 4.48Å; M121-F215 HydrophobicContact SD-CE2 4.46Å; P140-F215 HydrophobicContact CB-CE1 3.88Å; P140-F215 HydrophobicContact CB-CZ 3.77Å; P140-F215 HydrophobicContact CG-CE1 3.8Å; P140-F215 HydrophobicContact CG-CZ 3.79Å; V211-F215 HydrophobicContact CG1-CD2 4.02Å; V211-F215 HydrophobicContact CG1-CE2 3.4Å; V211-F215 HydrophobicContact CG1-CZ 3.69Å; V211-F215 WeakPolarHBondContact O-CD2 3.49Å; V211-F215 WeakPolarHBondContact O-CG 3.1Å; V211-F215 PolarHBondContact O-N 3Å; L212-F215 PolarHBondContact O-N 2.74Å
216	N	98.5	Very high	97.8	Very high	16 Å²	16	29.4 Å²	29.4	9%	0.086	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-41.3	176.8	-85.7	-26.6	0	0	0	112.7	L212 M213 Y214 Y253 F257	L212-N216 PolarHBondContact O-N 3.24Å; L212-N216 PolarHBondContact O-ND2 2.95Å; M213-N216 HydrophobicContact CE-CB 4.33Å; M213-N216 PolarHBondContact O-N 3.17Å; Y214-N216 PolarHBondContact O-N 3.43Å; N216-Y253 VanDerWaalsContact C-OH 3.28Å; N216-Y253 HydrophobicContact CB-CD1 3.76Å; N216-Y253 HydrophobicContact CB-CE1 3.49Å; N216-Y253 VanDerWaalsContact CB-CE1 3.49Å; N216-Y253 HydrophobicContact CB-CG 4.41Å; N216-Y253 WeakPolarHBondContact O-CE1 3.38Å; N216-Y253 PolarHBondContact O-OH 3.17Å; N216-F257 WeakPolarHBondContact ND2-CE1 3.45Å; N216-F257 WeakPolarHBondContact ND2-CE2 3.38Å; N216-F257 WeakPolarHBondContact ND2-CZ 3.46Å
217	R	97.9	Very high	97.5	Very high	87 Å²	87	31.1 Å²	31.1	33%	0.328	17%	0.174	S	C	.	.	H	α-helix	trans	-96.4	-16.4	-169.4	-66.3	176.2	68.1	100.1	8.2	115	M213 Y214 S219 V248 L249 Y253	M213-R217 HydrophobicContact CE-CG 3.99Å; M213-R217 VanDerWaalsContact O-CB 3.23Å; M213-R217 WeakPolarHBondContact O-CB 3.45Å; M213-R217 VanDerWaalsContact O-CG 3.23Å; M213-R217 WeakPolarHBondContact O-CG 3.33Å; M213-R217 PolarHBondContact O-N 3.13Å; Y214-R217 PolarHBondContact O-N 3.34Å; R217-S219 WeakPolarHBondContact CB-O 3.3Å; R217-S219 PolarHBondContact O-N 3.24Å; R217-S219 VanDerWaalsContact O-N 3.12Å; R217-V248 PolarHBondContact NH1-O 2.93Å; R217-L249 PolarHBondContact NH1-O 2.92Å; R217-Y253 WeakPolarHBondContact CA-OH 3.47Å; R217-Y253 HydrophobicContact CG-CE2 3.59Å
218	G	97.9	Very high	97.2	Very high	15 Å²	15	37 Å²	37	16%	0.155	21%	0.21	C	C	.	.	S	Bend	trans	80.3	-28.5	-167.8	0	0	0	0	0	113.6	R107 Y214	R107-G218 PolarHBondContact NH2-O 3.16Å; R107-G218 WeakPolarHBondContact O-CA 3.14Å; Y214-G218 PolarHBondContact O-N 3.02Å
219	S	97.8	Very high	96.9	Very high	62 Å²	62	40.7 Å²	40.7	43%	0.434	23%	0.232	S	C	.	.	S	Bend	trans	-158.4	158.2	177.3	61.7	0	0	0	0	112.4	R217 Q223	R217-S219 WeakPolarHBondContact CB-O 3.3Å; R217-S219 PolarHBondContact O-N 3.24Å; R217-S219 VanDerWaalsContact O-N 3.12Å; S219-Q223 VanDerWaalsContact CA-OE1 3.28Å
220	L	98.5	Very high	96.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	26%	0.262	C	S	.	.			trans	-97.6	147	173.6	-66	167.8	0	0	0	110.7	R187 Y188 M213 Y214 W222 Q223 L249	R187-L220 HydrophobicContact CG-CD1 4.11Å; Y188-L220 HydrophobicContact CD1-CD1 4.1Å; Y188-L220 HydrophobicContact CE1-CD1 3.98Å; M213-L220 HydrophobicContact CB-CD2 4.2Å; Y214-L220 HydrophobicContact CD2-CG 4.26Å; L220-W222 HydrophobicContact CB-CD2 4.18Å; L220-W222 HydrophobicContact CB-CZ2 4.03Å; L220-W222 HydrophobicContact CD1-CZ2 3.8Å; L220-W222 HydrophobicContact CD2-CH2 4.29Å; L220-W222 HydrophobicContact CD2-CZ2 3.91Å; L220-W222 HydrophobicContact CG-CZ2 4.12Å; L220-W222 PolarHBondContact O-N 3.31Å; L220-Q223 HydrophobicContact CB-CG 4.21Å; L220-Q223 WeakPolarHBondContact O-CB 3.21Å; L220-Q223 PolarHBondContact O-N 3.26Å; L220-L249 HydrophobicContact CD2-CD1 4.09Å
221	P	98.2	Very high	96.1	Very high	38 Å²	38	56.1 Å²	56.1	25%	0.247	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.5	-176.4	-27.3	36.9	0	0	0	116.3	K240 T244 L249	P221-K240 WeakPolarHBondContact O-CE 3.38Å; P221-T244 HydrophobicContact CG-CG2 4.21Å; P221-L249 HydrophobicContact CG-CD1 4.1Å
222	W	98.2	Very high	95.9	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.011	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.9	178.6	50.5	81	0	0	0	113.6	R187 Y210 L220 L225 I237 K240 K241 T244 L249	R187-W222 PolarHBondContact O-NE1 3.09Å; Y210-W222 AromaticContact CD1-CH2 3.53Å; Y210-W222 HydrophobicContact CD1-CH2 3.53Å; Y210-W222 AromaticContact CD1-CZ2 3.57Å; Y210-W222 HydrophobicContact CD1-CZ2 3.57Å; Y210-W222 HydrophobicContact CD2-CZ2 4.43Å; Y210-W222 AromaticContact CE1-CH2 3.53Å; Y210-W222 HydrophobicContact CE1-CH2 3.53Å; Y210-W222 AromaticContact CE1-CZ2 3.91Å; Y210-W222 HydrophobicContact CE1-CZ2 3.91Å; Y210-W222 HydrophobicContact CG-CH2 4.29Å; Y210-W222 AromaticContact CG-CZ2 3.87Å; Y210-W222 HydrophobicContact CG-CZ2 3.87Å; L220-W222 HydrophobicContact CB-CD2 4.18Å; L220-W222 HydrophobicContact CB-CZ2 4.03Å; L220-W222 HydrophobicContact CD1-CZ2 3.8Å; L220-W222 HydrophobicContact CD2-CH2 4.29Å; L220-W222 HydrophobicContact CD2-CZ2 3.91Å; L220-W222 HydrophobicContact CG-CZ2 4.12Å; L220-W222 PolarHBondContact O-N 3.31Å; W222-L225 HydrophobicContact CB-CD1 4.19Å; W222-I237 HydrophobicContact CB-CG2 4.23Å; W222-I237 HydrophobicContact CG-CG2 4.21Å; W222-K240 HydrophobicContact CB-CB 3.85Å; W222-K240 HydrophobicContact CB-CG 3.75Å; W222-K241 HydrophobicContact CD2-CD 4.34Å; W222-K241 HydrophobicContact CD2-CG 3.49Å; W222-K241 VanDerWaalsContact CD2-CG 3.49Å; W222-K241 HydrophobicContact CE3-CB 4.36Å; W222-K241 HydrophobicContact CE3-CG 3.55Å; W222-K241 HydrophobicContact CG-CG 3.99Å; W222-K241 HydrophobicContact CH2-CG 4.13Å; W222-K241 HydrophobicContact CZ2-CD 4.42Å; W222-K241 HydrophobicContact CZ2-CG 4.09Å; W222-K241 HydrophobicContact CZ3-CG 3.87Å; W222-T244 HydrophobicContact CZ3-CG2 4.49Å; W222-L249 HydrophobicContact CH2-CD1 4.21Å; W222-L249 HydrophobicContact CH2-CD2 3.91Å; W222-L249 HydrophobicContact CZ3-CD1 4.37Å; W222-L249 HydrophobicContact CZ3-CD2 4.45Å
223	Q	97.3	Very high	95.6	Very high	53 Å²	53	60 Å²	60	25%	0.248	31%	0.312	C	S	.	.	S	Bend	trans	-84.6	156.6	168.8	-68.2	-176.5	-96.6	0	0	111.4	R187 S219 L220 L225	R187-Q223 HydrophobicContact CG-CG 4.04Å; S219-Q223 VanDerWaalsContact CA-OE1 3.28Å; L220-Q223 HydrophobicContact CB-CG 4.21Å; L220-Q223 WeakPolarHBondContact O-CB 3.21Å; L220-Q223 PolarHBondContact O-N 3.26Å; Q223-L225 PolarHBondContact O-N 3.42Å; Q223-L225 VanDerWaalsContact O-N 3.15Å
224	G	94.2	Very high	95.3	Very high	67 Å²	67	61.9 Å²	61.9	69%	0.691	32%	0.319	S	S	*	.	S	Bend	trans	68.6	10	175	0	0	0	0	0	115.5	R226	G224-R226 PolarHBondContact O-N 2.86Å
225	L	94.5	Very high	95.1	Very high	41 Å²	41	65.8 Å²	65.8	22%	0.215	34%	0.337	C	S	.	.			trans	-64.7	129.5	177.2	-57.9	179.3	0	0	0	110.2	W222 Q223 K233 R236 I237 K240	W222-L225 HydrophobicContact CB-CD1 4.19Å; Q223-L225 PolarHBondContact O-N 3.42Å; Q223-L225 VanDerWaalsContact O-N 3.15Å; L225-K233 WeakPolarHBondContact O-CD 3.22Å; L225-K233 WeakPolarHBondContact O-CE 3.4Å; L225-K233 PolarHBondContact O-NZ 3.37Å; L225-R236 HydrophobicContact CD1-CB 4.04Å; L225-R236 WeakPolarHBondContact CD1-O 3.43Å; L225-I237 HydrophobicContact CD1-CG1 4.17Å; L225-K240 HydrophobicContact CD1-CB 3.96Å; L225-K240 HydrophobicContact CD1-CG 4.35Å
226	R	93.2	Very high	95	Very high	219 Å²	219	70.3 Å²	70.3	83%	0.826	35%	0.354	S	S	*	.			trans	-71.5	146.3	174.6	-63.1	-179.2	-179.5	177.9	-0.3	109.6	G224 R236	G224-R226 PolarHBondContact O-N 2.86Å; R226-R236 WeakPolarHBondContact O-CD 3.46Å; R226-R236 VanDerWaalsContact O-CZ 3.3Å; R226-R236 PolarHBondContact O-NE 3Å; R226-R236 PolarHBondContact O-NH1 3.04Å
227	A	92	Very high	95	Very high	39 Å²	39	69.6 Å²	69.6	32%	0.322	35%	0.35	S	S	.	.			trans	-161.6	152.4	171.3	0	0	0	0	0	109.7	Q232 K233	A227-Q232 HydrophobicContact CB-CB 4.16Å; A227-Q232 HydrophobicContact CB-CG 4.19Å; A227-K233 HydrophobicContact CB-CB 3.74Å; A227-K233 HydrophobicContact CB-CD 4.11Å
228	T	92.4	Very high	94.9	Very high	128 Å²	128	66 Å²	66	79%	0.785	34%	0.339	S	S	*	.	S	Bend	trans	-84.6	-29.3	178.8	57.7	0	0	0	0	112.6	Q232	T228-Q232 PolarHBondContact OG1-OE1 3.32Å
229	T	93.3	Very high	94.9	Very high	76 Å²	76	70.9 Å²	70.9	47%	0.466	36%	0.357	S	S	.	.	S	Bend	trans	-128.3	157.8	179.9	70.1	0	0	0	0	110.9	R231 Q232 K233	T229-R231 VanDerWaalsContact C-N 3.29Å; T229-R231 PolarHBondContact O-N 2.89Å; T229-Q232 PolarHBondContact O-N 3.38Å; T229-Q232 WeakPolarHBondContact OG1-CB 3.17Å; T229-Q232 PolarHBondContact OG1-N 3.24Å; T229-Q232 VanDerWaalsContact OG1-N 3.08Å; T229-K233 PolarHBondContact O-N 3.29Å
230	K	89.4	Confident	95	Very high	148 Å²	148	71.8 Å²	71.8	64%	0.643	35%	0.353	S	S	*	.	H	α-helix	trans	-58.7	-42	173.6	-71.7	-175.9	177.6	-177.8	0	111.8	Q232 K233 Y234	K230-Q232 PolarHBondContact O-N 3.49Å; K230-K233 WeakPolarHBondContact O-CB 3.43Å; K230-K233 PolarHBondContact O-N 3.34Å; K230-Y234 HydrophobicContact CB-CE2 4.04Å; K230-Y234 WeakPolarHBondContact O-CD2 3.3Å; K230-Y234 VanDerWaalsContact O-CG 3.27Å; K230-Y234 PolarHBondContact O-N 2.99Å
231	R	90.8	Very high	94.9	Very high	179 Å²	179	71.6 Å²	71.6	68%	0.675	35%	0.352	S	S	*	.	H	α-helix	trans	-57.7	-50.3	175.9	179.4	177.4	173.4	160.7	2.9	111.2	T229 K233 Y234 E235	T229-R231 VanDerWaalsContact C-N 3.29Å; T229-R231 PolarHBondContact O-N 2.89Å; R231-K233 VanDerWaalsContact C-N 3.29Å; R231-K233 PolarHBondContact O-N 2.99Å; R231-Y234 PolarHBondContact O-N 2.87Å; R231-Y234 VanDerWaalsContact O-N 3.12Å; R231-E235 WeakPolarHBondContact CG-OE1 3.48Å; R231-E235 IonicContact CZ-OE1 2.94Å; R231-E235 IonicContact NE-OE1 2.89Å; R231-E235 PolarHBondContact NE-OE1 2.69Å; R231-E235 IonicContact NH2-OE1 2.75Å; R231-E235 WeakPolarHBondContact O-CG 3.15Å; R231-E235 PolarHBondContact O-N 2.89Å
232	Q	93.7	Very high	94.9	Very high	54 Å²	54	74.2 Å²	74.2	25%	0.252	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-35.6	177.4	-171.7	-174.4	48.2	0	0	112	A227 T228 T229 K230 Y234 E235 R236	A227-Q232 HydrophobicContact CB-CB 4.16Å; A227-Q232 HydrophobicContact CB-CG 4.19Å; T228-Q232 PolarHBondContact OG1-OE1 3.32Å; T229-Q232 PolarHBondContact O-N 3.38Å; T229-Q232 WeakPolarHBondContact OG1-CB 3.17Å; T229-Q232 PolarHBondContact OG1-N 3.24Å; T229-Q232 VanDerWaalsContact OG1-N 3.08Å; K230-Q232 PolarHBondContact O-N 3.49Å; Q232-Y234 VanDerWaalsContact C-N 3.34Å; Q232-Y234 PolarHBondContact O-N 3.25Å; Q232-E235 PolarHBondContact O-N 3.47Å; Q232-R236 WeakPolarHBondContact O-CB 3.33Å; Q232-R236 WeakPolarHBondContact O-CG 3.12Å; Q232-R236 PolarHBondContact O-N 2.96Å
233	K	93.6	Very high	94.9	Very high	29 Å²	29	77.9 Å²	77.9	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-59.6	-45.7	173.9	-174.6	77.3	173.2	-143.1	0	110.6	L225 A227 T229 K230 R231 R236 I237 E336	L225-K233 WeakPolarHBondContact O-CD 3.22Å; L225-K233 WeakPolarHBondContact O-CE 3.4Å; L225-K233 PolarHBondContact O-NZ 3.37Å; A227-K233 HydrophobicContact CB-CB 3.74Å; A227-K233 HydrophobicContact CB-CD 4.11Å; T229-K233 PolarHBondContact O-N 3.29Å; K230-K233 WeakPolarHBondContact O-CB 3.43Å; K230-K233 PolarHBondContact O-N 3.34Å; R231-K233 VanDerWaalsContact C-N 3.29Å; R231-K233 PolarHBondContact O-N 2.99Å; K233-R236 PolarHBondContact O-N 3.04Å; K233-I237 HydrophobicContact CG-CD1 4.17Å; K233-I237 VanDerWaalsContact O-CG1 3.3Å; K233-I237 WeakPolarHBondContact O-CG1 3.48Å; K233-I237 PolarHBondContact O-N 2.94Å; K233-E336 IonicContact NZ-OE2 3.31Å; K233-E336 PolarHBondContact NZ-OE2 3.06Å
234	Y	92	Very high	94.9	Very high	40 Å²	40	75.7 Å²	75.7	16%	0.157	38%	0.379	C	S	.	.	H	α-helix	trans	-67.1	-42.9	179.2	-56.1	-37.2	0	0	0	112.4	L182 A186 K230 R231 Q232 R236 I237 S238 V341	L182-Y234 HydrophobicContact CD2-CG 4.35Å; A186-Y234 HydrophobicContact CB-CD1 3.65Å; A186-Y234 HydrophobicContact CB-CE1 3.92Å; K230-Y234 HydrophobicContact CB-CE2 4.04Å; K230-Y234 WeakPolarHBondContact O-CD2 3.3Å; K230-Y234 VanDerWaalsContact O-CG 3.27Å; K230-Y234 PolarHBondContact O-N 2.99Å; R231-Y234 PolarHBondContact O-N 2.87Å; R231-Y234 VanDerWaalsContact O-N 3.12Å; Q232-Y234 VanDerWaalsContact C-N 3.34Å; Q232-Y234 PolarHBondContact O-N 3.25Å; Y234-R236 VanDerWaalsContact C-N 3.35Å; Y234-R236 PolarHBondContact O-N 2.92Å; Y234-I237 PolarHBondContact O-N 3.33Å; Y234-S238 WeakPolarHBondContact O-CB 3.41Å; Y234-S238 PolarHBondContact O-N 3.43Å; Y234-V341 HydrophobicContact CD2-CG2 4.5Å; Y234-V341 HydrophobicContact CE1-CG2 4.08Å; Y234-V341 HydrophobicContact CE2-CG1 4.41Å; Y234-V341 HydrophobicContact CE2-CG2 3.58Å; Y234-V341 WeakPolarHBondContact OH-CG2 3.38Å
235	E	94.7	Very high	95.1	Very high	83 Å²	83	75.4 Å²	75.4	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-57	-47.3	173.8	-71.6	165	178.9	0	0	110.8	R231 Q232 I237 S238 E239	R231-E235 WeakPolarHBondContact CG-OE1 3.48Å; R231-E235 IonicContact CZ-OE1 2.94Å; R231-E235 IonicContact NE-OE1 2.89Å; R231-E235 PolarHBondContact NE-OE1 2.69Å; R231-E235 IonicContact NH2-OE1 2.75Å; R231-E235 WeakPolarHBondContact O-CG 3.15Å; R231-E235 PolarHBondContact O-N 2.89Å; Q232-E235 PolarHBondContact O-N 3.47Å; E235-I237 PolarHBondContact O-N 2.8Å; E235-S238 WeakPolarHBondContact O-CB 3.49Å; E235-S238 PolarHBondContact O-N 3.43Å; E235-E239 WeakPolarHBondContact O-CG 3.38Å; E235-E239 PolarHBondContact O-N 3.24Å
236	R	97.3	Very high	95.3	Very high	95 Å²	95	73.6 Å²	73.6	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-37.7	176.9	-72.7	-178.2	-174.6	-156.8	-1.9	113.5	L225 R226 Q232 K233 Y234 K240	L225-R236 HydrophobicContact CD1-CB 4.04Å; L225-R236 WeakPolarHBondContact CD1-O 3.43Å; R226-R236 WeakPolarHBondContact O-CD 3.46Å; R226-R236 VanDerWaalsContact O-CZ 3.3Å; R226-R236 PolarHBondContact O-NE 3Å; R226-R236 PolarHBondContact O-NH1 3.04Å; Q232-R236 WeakPolarHBondContact O-CB 3.33Å; Q232-R236 WeakPolarHBondContact O-CG 3.12Å; Q232-R236 PolarHBondContact O-N 2.96Å; K233-R236 PolarHBondContact O-N 3.04Å; Y234-R236 VanDerWaalsContact C-N 3.35Å; Y234-R236 PolarHBondContact O-N 2.92Å; R236-K240 WeakPolarHBondContact O-CB 3.4Å; R236-K240 PolarHBondContact O-N 2.76Å
237	I	97.8	Very high	95.5	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-46.1	174.2	-71.1	166.9	0	0	0	109.8	A186 W222 L225 K233 Y234 E235 K240 K241	A186-I237 HydrophobicContact CB-CD1 4.16Å; W222-I237 HydrophobicContact CB-CG2 4.23Å; W222-I237 HydrophobicContact CG-CG2 4.21Å; L225-I237 HydrophobicContact CD1-CG1 4.17Å; K233-I237 HydrophobicContact CG-CD1 4.17Å; K233-I237 VanDerWaalsContact O-CG1 3.3Å; K233-I237 WeakPolarHBondContact O-CG1 3.48Å; K233-I237 PolarHBondContact O-N 2.94Å; Y234-I237 PolarHBondContact O-N 3.33Å; E235-I237 PolarHBondContact O-N 2.8Å; I237-K240 PolarHBondContact O-N 2.86Å; I237-K241 HydrophobicContact CG2-CD 4.25Å; I237-K241 WeakPolarHBondContact O-CG 3.49Å; I237-K241 PolarHBondContact O-N 3.24Å
238	S	97.1	Very high	95.8	Very high	13 Å²	13	69.5 Å²	69.5	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-53.8	177.5	-175.8	0	0	0	0	111.4	H194 Y234 E235 K240 K241 M242	H194-S238 WeakPolarHBondContact CB-OG 3.34Å; Y234-S238 WeakPolarHBondContact O-CB 3.41Å; Y234-S238 PolarHBondContact O-N 3.43Å; E235-S238 WeakPolarHBondContact O-CB 3.49Å; E235-S238 PolarHBondContact O-N 3.43Å; S238-K240 VanDerWaalsContact C-N 3.29Å; S238-K240 PolarHBondContact O-N 2.95Å; S238-K241 WeakPolarHBondContact O-CB 3.24Å; S238-K241 PolarHBondContact O-N 3.2Å; S238-K241 VanDerWaalsContact O-N 3.09Å; S238-M242 WeakPolarHBondContact O-CE 3.31Å; S238-M242 WeakPolarHBondContact O-CG 3.27Å; S238-M242 PolarHBondContact O-N 3.33Å; S238-M242 VanDerWaalsContact OG-CE 3.28Å; S238-M242 WeakPolarHBondContact OG-CE 3.34Å
239	E	97.7	Very high	96.1	Very high	116 Å²	116	63.5 Å²	63.5	54%	0.542	31%	0.307	S	S	.	.	H	α-helix	trans	-55.9	-43.5	176.6	-71.9	168.9	-177	0	0	111.8	E235 K241 M242 S243	E235-E239 WeakPolarHBondContact O-CG 3.38Å; E235-E239 PolarHBondContact O-N 3.24Å; E239-K241 VanDerWaalsContact C-N 3.35Å; E239-K241 PolarHBondContact O-N 3.44Å; E239-M242 PolarHBondContact O-N 3.08Å; E239-S243 WeakPolarHBondContact O-CB 3.31Å; E239-S243 PolarHBondContact O-N 3.28Å; E239-S243 PolarHBondContact O-OG 3.43Å
240	K	98.4	Very high	96.3	Very high	81 Å²	81	60.1 Å²	60.1	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-68.2	-34.2	179.3	-171.2	59.1	175.8	179.2	0	112.2	P221 W222 L225 R236 I237 S238 S243 T244	P221-K240 WeakPolarHBondContact O-CE 3.38Å; W222-K240 HydrophobicContact CB-CB 3.85Å; W222-K240 HydrophobicContact CB-CG 3.75Å; L225-K240 HydrophobicContact CD1-CB 3.96Å; L225-K240 HydrophobicContact CD1-CG 4.35Å; R236-K240 WeakPolarHBondContact O-CB 3.4Å; R236-K240 PolarHBondContact O-N 2.76Å; I237-K240 PolarHBondContact O-N 2.86Å; S238-K240 VanDerWaalsContact C-N 3.29Å; S238-K240 PolarHBondContact O-N 2.95Å; K240-S243 WeakPolarHBondContact CA-OG 3.16Å; K240-S243 PolarHBondContact O-OG 2.78Å; K240-T244 WeakPolarHBondContact O-CB 3.34Å; K240-T244 PolarHBondContact O-N 3.36Å; K240-T244 PolarHBondContact O-OG1 3.18Å
241	K	98.2	Very high	96.8	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-46.5	173.8	-78.4	-179.3	173.4	-172.7	0	111.7	A186 R187 A189 I191 W222 I237 S238 E239 S243 T244	A186-K241 PolarHBondContact O-NZ 2.87Å; R187-K241 WeakPolarHBondContact O-CE 3.36Å; R187-K241 PolarHBondContact O-NZ 2.92Å; A189-K241 PolarHBondContact O-NZ 3Å; I191-K241 HydrophobicContact CG1-CB 4.17Å; W222-K241 HydrophobicContact CD2-CD 4.34Å; W222-K241 HydrophobicContact CD2-CG 3.49Å; W222-K241 VanDerWaalsContact CD2-CG 3.49Å; W222-K241 HydrophobicContact CE3-CB 4.36Å; W222-K241 HydrophobicContact CE3-CG 3.55Å; W222-K241 HydrophobicContact CG-CG 3.99Å; W222-K241 HydrophobicContact CH2-CG 4.13Å; W222-K241 HydrophobicContact CZ2-CD 4.42Å; W222-K241 HydrophobicContact CZ2-CG 4.09Å; W222-K241 HydrophobicContact CZ3-CG 3.87Å; I237-K241 HydrophobicContact CG2-CD 4.25Å; I237-K241 WeakPolarHBondContact O-CG 3.49Å; I237-K241 PolarHBondContact O-N 3.24Å; S238-K241 WeakPolarHBondContact O-CB 3.24Å; S238-K241 PolarHBondContact O-N 3.2Å; S238-K241 VanDerWaalsContact O-N 3.09Å; E239-K241 VanDerWaalsContact C-N 3.35Å; E239-K241 PolarHBondContact O-N 3.44Å; K241-S243 VanDerWaalsContact C-N 3.33Å; K241-S243 PolarHBondContact O-N 3.02Å; K241-T244 PolarHBondContact O-N 3.44Å
242	M	96.9	Very high	97.1	Very high	94 Å²	94	56.3 Å²	56.3	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-35.9	179.2	-68.4	-177.7	-74.6	0	0	112.2	I191 L195 S238 E239 T244	I191-M242 HydrophobicContact CG2-CG 4.07Å; L195-M242 HydrophobicContact CD2-SD 4.02Å; S238-M242 WeakPolarHBondContact O-CE 3.31Å; S238-M242 WeakPolarHBondContact O-CG 3.27Å; S238-M242 PolarHBondContact O-N 3.33Å; S238-M242 VanDerWaalsContact OG-CE 3.28Å; S238-M242 WeakPolarHBondContact OG-CE 3.34Å; E239-M242 PolarHBondContact O-N 3.08Å; M242-T244 VanDerWaalsContact C-N 3.33Å; M242-T244 PolarHBondContact O-N 3.5Å
243	S	97.9	Very high	97.3	Very high	79 Å²	79	57.5 Å²	57.5	55%	0.552	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.3	177.2	59.4	0	0	0	0	114.7	E239 K240 K241 P245	E239-S243 WeakPolarHBondContact O-CB 3.31Å; E239-S243 PolarHBondContact O-N 3.28Å; E239-S243 PolarHBondContact O-OG 3.43Å; K240-S243 WeakPolarHBondContact CA-OG 3.16Å; K240-S243 PolarHBondContact O-OG 2.78Å; K241-S243 VanDerWaalsContact C-N 3.33Å; K241-S243 PolarHBondContact O-N 3.02Å; S243-P245 VanDerWaalsContact O-CD 3.32Å; S243-P245 WeakPolarHBondContact O-CD 3.38Å
244	T	98.3	Very high	97.6	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.043	30%	0.303	C	S	.	.	S	Bend	trans	-108.5	99.1	175.4	-56.7	0	0	0	0	109.7	P221 W222 K240 K241 M242 V248 L249	P221-T244 HydrophobicContact CG-CG2 4.21Å; W222-T244 HydrophobicContact CZ3-CG2 4.49Å; K240-T244 WeakPolarHBondContact O-CB 3.34Å; K240-T244 PolarHBondContact O-N 3.36Å; K240-T244 PolarHBondContact O-OG1 3.18Å; K241-T244 PolarHBondContact O-N 3.44Å; M242-T244 VanDerWaalsContact C-N 3.33Å; M242-T244 PolarHBondContact O-N 3.5Å; T244-V248 HydrophobicContact CG2-CB 4.42Å; T244-V248 HydrophobicContact CG2-CG1 4.33Å; T244-L249 HydrophobicContact CG2-CB 4.14Å
245	P	97.7	Very high	97.9	Very high	61 Å²	61	58 Å²	58	40%	0.396	32%	0.317	S	S	.	.			trans	-56.7	151.4	173.6	-23.7	32.6	0	0	0	111.9	S243 E247 V248 L249	S243-P245 VanDerWaalsContact O-CD 3.32Å; S243-P245 WeakPolarHBondContact O-CD 3.38Å; P245-E247 WeakPolarHBondContact CB-OE2 3.12Å; P245-E247 PolarHBondContact O-N 3.13Å; P245-V248 HydrophobicContact CB-CG2 4.15Å; P245-V248 HydrophobicContact CG-CG2 4.09Å; P245-V248 PolarHBondContact O-N 2.94Å; P245-L249 PolarHBondContact O-N 3.01Å
246	V	98.5	Very high	98	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-37.4	179.2	-178.5	0	0	0	0	110.3	V248 L249 C250 Q258 L261 N262 R265	V246-V248 VanDerWaalsContact C-N 3.25Å; V246-V248 PolarHBondContact O-N 3.27Å; V246-L249 PolarHBondContact O-N 2.91Å; V246-C250 WeakPolarHBondContact O-CB 3.31Å; V246-C250 PolarHBondContact O-N 3.43Å; V246-Q258 HydrophobicContact CB-CG 4.49Å; V246-Q258 HydrophobicContact CG1-CB 4.14Å; V246-Q258 HydrophobicContact CG1-CG 3.77Å; V246-L261 HydrophobicContact CG1-CB 3.56Å; V246-L261 HydrophobicContact CG1-CD1 3.96Å; V246-L261 HydrophobicContact CG1-CG 4.43Å; V246-L261 HydrophobicContact CG2-CB 4.23Å; V246-N262 WeakPolarHBondContact CB-OD1 3.38Å; V246-N262 VanDerWaalsContact CG2-OD1 3.28Å; V246-N262 WeakPolarHBondContact CG2-OD1 3.39Å; V246-R265 VanDerWaalsContact CG2-NH1 3.26Å
247	E	98	Very high	98.1	Very high	92 Å²	92	51.7 Å²	51.7	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-55.2	-41.9	175.3	-62.2	59.2	-133.7	0	0	111.1	P245 K251 Q258	P245-E247 WeakPolarHBondContact CB-OE2 3.12Å; P245-E247 PolarHBondContact O-N 3.13Å; E247-K251 WeakPolarHBondContact O-CA 3.45Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 3.34Å; E247-Q258 VanDerWaalsContact CG-NE2 3.32Å; E247-Q258 PolarHBondContact OE1-NE2 3.05Å
248	V	98.3	Very high	98.2	Very high	81 Å²	81	54.5 Å²	54.5	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-75.7	-40.3	179.8	176.8	0	0	0	0	110.8	R217 T244 P245 V246 C250	R217-V248 PolarHBondContact NH1-O 2.93Å; T244-V248 HydrophobicContact CG2-CB 4.42Å; T244-V248 HydrophobicContact CG2-CG1 4.33Å; P245-V248 HydrophobicContact CB-CG2 4.15Å; P245-V248 HydrophobicContact CG-CG2 4.09Å; P245-V248 PolarHBondContact O-N 2.94Å; V246-V248 VanDerWaalsContact C-N 3.25Å; V246-V248 PolarHBondContact O-N 3.27Å; V248-C250 VanDerWaalsContact C-N 3.35Å
249	L	98.5	Very high	98.2	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-40.5	176.9	-179.3	61.5	0	0	0	111.6	Y210 M213 R217 L220 P221 W222 T244 P245 V246 L261	Y210-L249 HydrophobicContact CD1-CD2 3.97Å; Y210-L249 HydrophobicContact CE1-CD2 4Å; M213-L249 HydrophobicContact CB-CD1 4.38Å; M213-L249 HydrophobicContact CB-CD2 4.49Å; M213-L249 HydrophobicContact CB-CG 4.32Å; M213-L249 VanDerWaalsContact CE-O 3.27Å; M213-L249 WeakPolarHBondContact CE-O 3.45Å; M213-L249 HydrophobicContact CG-CD2 4.31Å; M213-L249 HydrophobicContact CG-CG 4.19Å; R217-L249 PolarHBondContact NH1-O 2.92Å; L220-L249 HydrophobicContact CD2-CD1 4.09Å; P221-L249 HydrophobicContact CG-CD1 4.1Å; W222-L249 HydrophobicContact CH2-CD1 4.21Å; W222-L249 HydrophobicContact CH2-CD2 3.91Å; W222-L249 HydrophobicContact CZ3-CD1 4.37Å; W222-L249 HydrophobicContact CZ3-CD2 4.45Å; T244-L249 HydrophobicContact CG2-CB 4.14Å; P245-L249 PolarHBondContact O-N 3.01Å; V246-L249 PolarHBondContact O-N 2.91Å; L249-L261 HydrophobicContact CD2-CD1 3.79Å
250	C	98.6	Very high	98.3	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-93	-1	-177.3	-63.9	0	0	0	0	114	M213 V246 V248 G252 Y253 Q258	M213-C250 VanDerWaalsContact SD-SG 3.69Å; V246-C250 WeakPolarHBondContact O-CB 3.31Å; V246-C250 PolarHBondContact O-N 3.43Å; V248-C250 VanDerWaalsContact C-N 3.35Å; C250-G252 PolarHBondContact O-N 3.03Å; C250-Y253 WeakPolarHBondContact O-CB 3.45Å; C250-Y253 PolarHBondContact O-N 2.88Å; C250-Q258 HydrophobicContact CB-CB 4.09Å
251	K	98.1	Very high	98.3	Very high	165 Å²	165	48.5 Å²	48.5	72%	0.717	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	126.5	-179.5	-173.1	176.3	-179.3	177.8	0	111.8	E247	E247-K251 WeakPolarHBondContact O-CA 3.45Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 3.34Å
252	G	97.9	Very high	98.3	Very high	81 Å²	81	51.7 Å²	51.7	84%	0.835	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-0.8	180	0	0	0	0	0	114.9	C250	C250-G252 PolarHBondContact O-N 3.03Å
253	Y	98.3	Very high	98.4	Very high	79 Å²	79	50 Å²	50	31%	0.31	28%	0.283	S	S	.	.	S	Bend	trans	-113.1	163.6	174.2	-61.1	-85.1	0	0	0	110.5	M213 N216 R217 C250	M213-Y253 HydrophobicContact CE-CD2 3.73Å; M213-Y253 HydrophobicContact CE-CE2 4.18Å; M213-Y253 HydrophobicContact CE-CG 4.14Å; N216-Y253 VanDerWaalsContact C-OH 3.28Å; N216-Y253 HydrophobicContact CB-CD1 3.76Å; N216-Y253 HydrophobicContact CB-CE1 3.49Å; N216-Y253 VanDerWaalsContact CB-CE1 3.49Å; N216-Y253 HydrophobicContact CB-CG 4.41Å; N216-Y253 WeakPolarHBondContact O-CE1 3.38Å; N216-Y253 PolarHBondContact O-OH 3.17Å; R217-Y253 WeakPolarHBondContact CA-OH 3.47Å; R217-Y253 HydrophobicContact CG-CE2 3.59Å; C250-Y253 WeakPolarHBondContact O-CB 3.45Å; C250-Y253 PolarHBondContact O-N 2.88Å
254	P	98.5	Very high	98.5	Very high	25 Å²	25	46.3 Å²	46.3	16%	0.162	26%	0.257	C	S	.	.			trans	-54.2	146.1	178.5	-28	35.8	0	0	0	113.8	L111 E256 F257 L285 M289	L111-P254 HydrophobicContact CD2-CG 3.71Å; P254-E256 WeakPolarHBondContact CB-OE2 3.5Å; P254-E256 PolarHBondContact O-N 3.33Å; P254-E256 VanDerWaalsContact O-N 3.12Å; P254-F257 HydrophobicContact CB-CD2 4.25Å; P254-F257 HydrophobicContact CB-CE2 4.38Å; P254-F257 HydrophobicContact CG-CD2 4.48Å; P254-F257 HydrophobicContact CG-CE2 4.24Å; P254-F257 WeakPolarHBondContact O-CD2 3.45Å; P254-F257 PolarHBondContact O-N 3.09Å; P254-L285 HydrophobicContact CB-CD1 3.79Å; P254-L285 HydrophobicContact CB-CD2 3.54Å; P254-L285 HydrophobicContact CB-CG 4.33Å; P254-L285 HydrophobicContact CG-CD1 4.05Å; P254-L285 HydrophobicContact CG-CD2 3.87Å; P254-M289 HydrophobicContact CG-CE 3.76Å
255	A	98.3	Very high	98.4	Very high	56 Å²	56	49.5 Å²	49.5	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-24.4	-174.5	0	0	0	0	0	113	F257 Q258 M259	A255-F257 PolarHBondContact O-N 3.27Å; A255-Q258 WeakPolarHBondContact O-CA 3.49Å; A255-Q258 WeakPolarHBondContact O-CB 3.33Å; A255-Q258 PolarHBondContact O-N 3.03Å; A255-M259 WeakPolarHBondContact O-CG 3.44Å; A255-M259 PolarHBondContact O-N 3.33Å
256	E	98.7	Very high	98.5	Very high	42 Å²	42	49.4 Å²	49.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-31.6	179	-66.9	82.1	175.1	0	0	112.5	P254 M259 Y260 L281 L285	P254-E256 WeakPolarHBondContact CB-OE2 3.5Å; P254-E256 PolarHBondContact O-N 3.33Å; P254-E256 VanDerWaalsContact O-N 3.12Å; E256-M259 PolarHBondContact O-N 2.75Å; E256-Y260 VanDerWaalsContact O-CB 3.26Å; E256-Y260 WeakPolarHBondContact O-CB 3.43Å; E256-Y260 PolarHBondContact O-N 3.3Å; E256-L281 HydrophobicContact CB-CB 4.21Å; E256-L281 HydrophobicContact CG-CB 4.35Å; E256-L285 HydrophobicContact CB-CD2 4.07Å; E256-L285 HydrophobicContact CG-CB 4.09Å; E256-L285 HydrophobicContact CG-CD2 4.22Å
257	F	98.8	Very high	98.5	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-68.2	-38.2	174	-68.4	-77.8	0	0	0	112.1	L111 V114 L115 L212 M213 N216 P254 A255 L261 F282 L285	L111-F257 HydrophobicContact CD1-CE2 3.64Å; L111-F257 HydrophobicContact CD1-CZ 3.67Å; V114-F257 HydrophobicContact CG1-CE1 4.14Å; V114-F257 HydrophobicContact CG1-CZ 4.14Å; L115-F257 HydrophobicContact CD2-CZ 4.06Å; L212-F257 HydrophobicContact CB-CD1 4.36Å; L212-F257 HydrophobicContact CB-CE1 4.12Å; M213-F257 HydrophobicContact SD-CB 3.7Å; M213-F257 HydrophobicContact SD-CD1 3.91Å; M213-F257 HydrophobicContact SD-CG 3.85Å; N216-F257 WeakPolarHBondContact ND2-CE1 3.45Å; N216-F257 WeakPolarHBondContact ND2-CE2 3.38Å; N216-F257 WeakPolarHBondContact ND2-CZ 3.46Å; P254-F257 HydrophobicContact CB-CD2 4.25Å; P254-F257 HydrophobicContact CB-CE2 4.38Å; P254-F257 HydrophobicContact CG-CD2 4.48Å; P254-F257 HydrophobicContact CG-CE2 4.24Å; P254-F257 WeakPolarHBondContact O-CD2 3.45Å; P254-F257 PolarHBondContact O-N 3.09Å; A255-F257 PolarHBondContact O-N 3.27Å; F257-L261 PolarHBondContact O-N 3.37Å; F257-L261 VanDerWaalsContact O-N 3.12Å; F257-F282 AromaticContact CD1-CE1 3.69Å; F257-F282 HydrophobicContact CD1-CE1 3.69Å; F257-F282 HydrophobicContact CD1-CZ 4.15Å; F257-F282 HydrophobicContact CE1-CD1 4.36Å; F257-F282 AromaticContact CE1-CE1 3.64Å; F257-F282 HydrophobicContact CE1-CE1 3.64Å; F257-F282 HydrophobicContact CE1-CZ 4.26Å; F257-F282 HydrophobicContact CG-CE1 4.24Å; F257-F282 HydrophobicContact CZ-CE1 4.16Å; F257-L285 HydrophobicContact CE2-CD2 4.31Å
258	Q	98.7	Very high	98.5	Very high	59 Å²	59	52.2 Å²	52.2	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-45.6	174.2	179.2	-173.8	5.1	0	0	110.5	V246 E247 C250 A255 Y260 L261 N262	V246-Q258 HydrophobicContact CB-CG 4.49Å; V246-Q258 HydrophobicContact CG1-CB 4.14Å; V246-Q258 HydrophobicContact CG1-CG 3.77Å; E247-Q258 VanDerWaalsContact CG-NE2 3.32Å; E247-Q258 PolarHBondContact OE1-NE2 3.05Å; C250-Q258 HydrophobicContact CB-CB 4.09Å; A255-Q258 WeakPolarHBondContact O-CA 3.49Å; A255-Q258 WeakPolarHBondContact O-CB 3.33Å; A255-Q258 PolarHBondContact O-N 3.03Å; Q258-Y260 VanDerWaalsContact C-N 3.29Å; Q258-Y260 PolarHBondContact O-N 3.41Å; Q258-L261 PolarHBondContact O-N 3Å; Q258-N262 WeakPolarHBondContact O-CB 3.43Å; Q258-N262 PolarHBondContact O-N 3.3Å
259	M	98.8	Very high	98.5	Very high	83 Å²	83	49.2 Å²	49.2	41%	0.409	27%	0.266	S	S	.	.	H	α-helix	trans	-57.1	-43.5	176	-66.1	171.4	73	0	0	111.4	A255 E256 Y263 L281	A255-M259 WeakPolarHBondContact O-CG 3.44Å; A255-M259 PolarHBondContact O-N 3.33Å; E256-M259 PolarHBondContact O-N 2.75Å; M259-Y263 VanDerWaalsContact O-CB 3.27Å; M259-Y263 WeakPolarHBondContact O-CB 3.3Å; M259-Y263 PolarHBondContact O-N 3.21Å; M259-L281 HydrophobicContact CB-CD1 4.08Å; M259-L281 HydrophobicContact CB-CD2 4.34Å; M259-L281 HydrophobicContact CE-CD2 3.63Å; M259-L281 HydrophobicContact SD-CD2 4.12Å
260	Y	98.9	Very high	98.5	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-53	175.9	178.2	-81.6	0	0	0	112	L122 L205 G209 E256 Q258 Y263 C264 L278 F282	L122-Y260 HydrophobicContact CD1-CE2 4.13Å; L122-Y260 HydrophobicContact CD2-CE2 3.92Å; L122-Y260 HydrophobicContact CG-CE2 4.49Å; L205-Y260 VanDerWaalsContact O-CE1 3.26Å; L205-Y260 WeakPolarHBondContact O-CE1 3.47Å; L205-Y260 PolarHBondContact O-OH 3Å; G209-Y260 VanDerWaalsContact CA-CE1 3.48Å; E256-Y260 VanDerWaalsContact O-CB 3.26Å; E256-Y260 WeakPolarHBondContact O-CB 3.43Å; E256-Y260 PolarHBondContact O-N 3.3Å; Q258-Y260 VanDerWaalsContact C-N 3.29Å; Q258-Y260 PolarHBondContact O-N 3.41Å; Y260-Y263 WeakPolarHBondContact O-CB 3.11Å; Y260-Y263 PolarHBondContact O-N 3.49Å; Y260-C264 WeakPolarHBondContact CE1-SG 3.26Å; Y260-C264 PolarHBondContact O-N 3.24Å; Y260-C264 PolarHBondContact O-SG 2.93Å; Y260-L278 HydrophobicContact CD2-CB 4.25Å; Y260-L278 HydrophobicContact CD2-CD2 3.63Å; Y260-L278 HydrophobicContact CD2-CG 4.39Å; Y260-L278 HydrophobicContact CE2-CB 4.12Å; Y260-L278 HydrophobicContact CE2-CD1 4.08Å; Y260-L278 HydrophobicContact CE2-CD2 3.91Å; Y260-L278 HydrophobicContact CE2-CG 4.27Å; Y260-L278 HydrophobicContact CG-CD2 4.35Å; Y260-F282 AromaticContact CD2-CE2 3.44Å; Y260-F282 HydrophobicContact CD2-CE2 3.44Å; Y260-F282 VanDerWaalsContact CD2-CE2 3.44Å; Y260-F282 AromaticContact CD2-CZ 3.66Å; Y260-F282 HydrophobicContact CD2-CZ 3.66Å; Y260-F282 AromaticContact CE2-CE2 3.93Å; Y260-F282 HydrophobicContact CE2-CE2 3.93Å; Y260-F282 HydrophobicContact CE2-CZ 4.44Å; Y260-F282 HydrophobicContact CG-CE2 4.07Å; Y260-F282 AromaticContact CG-CZ 3.79Å; Y260-F282 HydrophobicContact CG-CZ 3.79Å
261	L	98.8	Very high	98.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-40.4	-177	-83.1	168.6	0	0	0	112.2	Y210 M213 V246 L249 F257 Q258 C264 R265	Y210-L261 HydrophobicContact CD1-CD2 4.3Å; Y210-L261 HydrophobicContact CE1-CD2 4.18Å; M213-L261 HydrophobicContact CG-CD1 4.05Å; V246-L261 HydrophobicContact CG1-CB 3.56Å; V246-L261 HydrophobicContact CG1-CD1 3.96Å; V246-L261 HydrophobicContact CG1-CG 4.43Å; V246-L261 HydrophobicContact CG2-CB 4.23Å; L249-L261 HydrophobicContact CD2-CD1 3.79Å; F257-L261 PolarHBondContact O-N 3.37Å; F257-L261 VanDerWaalsContact O-N 3.12Å; Q258-L261 PolarHBondContact O-N 3Å; L261-C264 PolarHBondContact O-N 3.37Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; L261-R265 PolarHBondContact O-N 3.33Å
262	N	98.7	Very high	98.5	Very high	67 Å²	67	52.2 Å²	52.2	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-40.6	175.5	-77.7	-20.1	0	0	0	111.5	V246 Q258 R265 G266	V246-N262 WeakPolarHBondContact CB-OD1 3.38Å; V246-N262 VanDerWaalsContact CG2-OD1 3.28Å; V246-N262 WeakPolarHBondContact CG2-OD1 3.39Å; Q258-N262 WeakPolarHBondContact O-CB 3.43Å; Q258-N262 PolarHBondContact O-N 3.3Å; N262-R265 PolarHBondContact O-N 2.89Å; N262-G266 PolarHBondContact O-N 3.41Å
263	Y	98.8	Very high	98.5	Very high	59 Å²	59	48.6 Å²	48.6	23%	0.231	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-50.6	172.3	-179.8	-84.1	0	0	0	111.3	M259 Y260 R265 G266 L267 D274 Y277 L278	M259-Y263 VanDerWaalsContact O-CB 3.27Å; M259-Y263 WeakPolarHBondContact O-CB 3.3Å; M259-Y263 PolarHBondContact O-N 3.21Å; Y260-Y263 WeakPolarHBondContact O-CB 3.11Å; Y260-Y263 PolarHBondContact O-N 3.49Å; Y263-R265 VanDerWaalsContact C-N 3.32Å; Y263-R265 PolarHBondContact O-N 3.1Å; Y263-G266 PolarHBondContact O-N 3.1Å; Y263-G266 VanDerWaalsContact O-N 3.08Å; Y263-L267 HydrophobicContact CD1-CD1 4.25Å; Y263-L267 HydrophobicContact CD1-CG 4.28Å; Y263-L267 HydrophobicContact CE1-CD1 3.89Å; Y263-L267 HydrophobicContact CE1-CD2 3.8Å; Y263-L267 HydrophobicContact CE1-CG 3.94Å; Y263-L267 PolarHBondContact O-N 2.96Å; Y263-D274 WeakPolarHBondContact OH-CB 3.26Å; Y263-D274 PolarHBondContact OH-N 3.47Å; Y263-Y277 AromaticContact CD2-CD1 3.84Å; Y263-Y277 HydrophobicContact CD2-CD1 3.84Å; Y263-Y277 AromaticContact CD2-CE1 3.55Å; Y263-Y277 HydrophobicContact CD2-CE1 3.55Å; Y263-Y277 AromaticContact CE2-CD1 3.92Å; Y263-Y277 HydrophobicContact CE2-CD1 3.92Å; Y263-Y277 HydrophobicContact CE2-CE1 4.09Å; Y263-Y277 HydrophobicContact CG-CD1 4.34Å; Y263-Y277 HydrophobicContact CG-CE1 4Å; Y263-L278 HydrophobicContact CD1-CD1 4.08Å; Y263-L278 HydrophobicContact CD1-CD2 3.53Å; Y263-L278 HydrophobicContact CD1-CG 4.06Å; Y263-L278 HydrophobicContact CE1-CD1 4.02Å; Y263-L278 HydrophobicContact CE1-CD2 4.09Å; Y263-L278 HydrophobicContact CE1-CG 4.11Å; Y263-L278 HydrophobicContact CG-CD2 3.89Å
264	C	98.7	Very high	98.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-41.6	-178.2	-63.3	0	0	0	0	112.3	L205 E206 Y260 L261 G266 L267	L205-C264 HydrophobicContact CB-CB 4.45Å; E206-C264 HydrophobicContact CB-CB 4.19Å; Y260-C264 WeakPolarHBondContact CE1-SG 3.26Å; Y260-C264 PolarHBondContact O-N 3.24Å; Y260-C264 PolarHBondContact O-SG 2.93Å; L261-C264 PolarHBondContact O-N 3.37Å; C264-G266 VanDerWaalsContact C-N 3.3Å; C264-G266 PolarHBondContact O-N 3.01Å; C264-L267 PolarHBondContact O-N 3.26Å
265	R	97.7	Very high	98.5	Very high	75 Å²	75	48.1 Å²	48.1	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-69.3	-27	176.9	-72.7	-179	174.2	-174	1.5	113.1	Y210 V246 L261 N262 Y263	Y210-R265 PolarHBondContact OH-NH2 2.94Å; V246-R265 VanDerWaalsContact CG2-NH1 3.26Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; L261-R265 PolarHBondContact O-N 3.33Å; N262-R265 PolarHBondContact O-N 2.89Å; Y263-R265 VanDerWaalsContact C-N 3.32Å; Y263-R265 PolarHBondContact O-N 3.1Å
266	G	98.2	Very high	98.5	Very high	59 Å²	59	50.3 Å²	50.3	61%	0.608	26%	0.256	S	S	*	.	H	α-helix	trans	-79.6	-14.2	177.3	0	0	0	0	0	114.8	N262 Y263 C264	N262-G266 PolarHBondContact O-N 3.41Å; Y263-G266 PolarHBondContact O-N 3.1Å; Y263-G266 VanDerWaalsContact O-N 3.08Å; C264-G266 VanDerWaalsContact C-N 3.3Å; C264-G266 PolarHBondContact O-N 3.01Å
267	L	98.6	Very high	98.5	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	26%	0.262	C	S	.	.			trans	-66.1	133	179.9	-73.7	168.9	0	0	0	112.1	R202 L205 Y263 C264 E271 P273	R202-L267 HydrophobicContact CB-CB 3.67Å; R202-L267 HydrophobicContact CB-CD1 3.76Å; R202-L267 HydrophobicContact CB-CG 4.39Å; R202-L267 WeakPolarHBondContact CD-O 3.45Å; R202-L267 PolarHBondContact NH1-O 3.12Å; L205-L267 HydrophobicContact CD1-CD1 4.17Å; Y263-L267 HydrophobicContact CD1-CD1 4.25Å; Y263-L267 HydrophobicContact CD1-CG 4.28Å; Y263-L267 HydrophobicContact CE1-CD1 3.89Å; Y263-L267 HydrophobicContact CE1-CD2 3.8Å; Y263-L267 HydrophobicContact CE1-CG 3.94Å; Y263-L267 PolarHBondContact O-N 2.96Å; C264-L267 PolarHBondContact O-N 3.26Å; L267-E271 WeakPolarHBondContact CA-OE2 3.49Å; L267-E271 HydrophobicContact CD2-CB 4.19Å; L267-E271 HydrophobicContact CD2-CG 3.75Å; L267-P273 HydrophobicContact CD1-CB 4.09Å; L267-P273 HydrophobicContact CD1-CG 3.99Å
268	R	98.5	Very high	98.5	Very high	148 Å²	148	52 Å²	52	56%	0.558	26%	0.261	S	S	*	.			trans	-67.5	159.6	167.3	-53	-177.5	-60.3	-73	0.6	110.3	D270 E271	R268-D270 VanDerWaalsContact C-N 3.26Å; R268-D270 PolarHBondContact O-N 2.84Å; R268-E271 HydrophobicContact CB-CB 3.97Å; R268-E271 IonicContact CZ-OE1 3.5Å; R268-E271 IonicContact CZ-OE2 3.6Å; R268-E271 PolarHBondContact N-OE2 3.17Å; R268-E271 IonicContact NH1-OE1 2.78Å; R268-E271 PolarHBondContact NH1-OE1 3.27Å; R268-E271 IonicContact NH1-OE2 3.18Å; R268-E271 PolarHBondContact NH1-OE2 3.39Å; R268-E271 VanDerWaalsContact NH1-OE2 3.12Å; R268-E271 IonicContact NH2-OE1 3.48Å; R268-E271 PolarHBondContact NH2-OE1 3.03Å; R268-E271 WeakPolarHBondContact O-CB 3.46Å; R268-E271 PolarHBondContact O-N 2.69Å
269	F	98.5	Very high	98.5	Very high	18 Å²	18	51.3 Å²	51.3	8%	0.079	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.5	-176.4	171.4	-110.4	0	0	0	113.6	H173 I174 Y176 E198 S200	H173-F269 AromaticContact CE1-CD1 3.8Å; H173-F269 AromaticContact CE1-CE1 3.44Å; H173-F269 VanDerWaalsContact CE1-CE1 3.44Å; H173-F269 WeakPolarHBondContact CE1-CE1 3.46Å; H173-F269 AromaticContact CE1-CZ 3.63Å; H173-F269 PolarHBondContact CE1-O 2.85Å; H173-F269 AromaticContact ND1-CD1 3.93Å; H173-F269 AromaticContact ND1-CE1 3.47Å; H173-F269 WeakPolarHBondContact ND1-CE1 3.36Å; H173-F269 PolarHBondContact NE2-O 2.87Å; I174-F269 HydrophobicContact CD1-CZ 4.19Å; I174-F269 HydrophobicContact CG1-CE1 4.38Å; I174-F269 HydrophobicContact CG1-CZ 3.91Å; I174-F269 VanDerWaalsContact O-CE1 3.3Å; I174-F269 WeakPolarHBondContact O-CE1 3.21Å; Y176-F269 VanDerWaalsContact CA-CE1 3.46Å; Y176-F269 HydrophobicContact CD2-CB 3.94Å; Y176-F269 AromaticContact CD2-CD1 3.93Å; Y176-F269 HydrophobicContact CD2-CD1 3.93Å; Y176-F269 HydrophobicContact CD2-CD2 4.14Å; Y176-F269 HydrophobicContact CD2-CE1 4.44Å; Y176-F269 AromaticContact CD2-CG 3.74Å; Y176-F269 HydrophobicContact CD2-CG 3.74Å; Y176-F269 HydrophobicContact CG-CD1 4.43Å; E198-F269 HydrophobicContact CB-CE2 3.98Å; E198-F269 HydrophobicContact CB-CZ 4.1Å; E198-F269 HydrophobicContact CG-CE2 4.06Å; E198-F269 HydrophobicContact CG-CZ 3.91Å; E198-F269 WeakPolarHBondContact O-CE2 3.41Å; S200-F269 WeakPolarHBondContact CB-O 3.33Å; S200-F269 PolarHBondContact OG-O 3.26Å
270	D	98.1	Very high	98.5	Very high	90 Å²	90	50.2 Å²	50.2	48%	0.481	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0	-177.9	64	-22.3	0	0	0	113.7	H173 R201 R268	H173-D270 HydrophobicContact CB-CB 4.06Å; R201-D270 PolarHBondContact NH2-O 2.74Å; R268-D270 VanDerWaalsContact C-N 3.26Å; R268-D270 PolarHBondContact O-N 2.84Å
271	E	98.4	Very high	98.5	Very high	51 Å²	51	50.9 Å²	50.9	24%	0.238	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.9	141.8	-177	-173.4	157.9	-145.6	0	0	111.7	R201 L267 R268 P273	R201-E271 VanDerWaalsContact NH2-C 3.33Å; R201-E271 PolarHBondContact NH2-O 3.08Å; L267-E271 WeakPolarHBondContact CA-OE2 3.49Å; L267-E271 HydrophobicContact CD2-CB 4.19Å; L267-E271 HydrophobicContact CD2-CG 3.75Å; R268-E271 HydrophobicContact CB-CB 3.97Å; R268-E271 IonicContact CZ-OE1 3.5Å; R268-E271 IonicContact CZ-OE2 3.6Å; R268-E271 PolarHBondContact N-OE2 3.17Å; R268-E271 IonicContact NH1-OE1 2.78Å; R268-E271 PolarHBondContact NH1-OE1 3.27Å; R268-E271 IonicContact NH1-OE2 3.18Å; R268-E271 PolarHBondContact NH1-OE2 3.39Å; R268-E271 VanDerWaalsContact NH1-OE2 3.12Å; R268-E271 IonicContact NH2-OE1 3.48Å; R268-E271 PolarHBondContact NH2-OE1 3.03Å; R268-E271 WeakPolarHBondContact O-CB 3.46Å; R268-E271 PolarHBondContact O-N 2.69Å; E271-P273 WeakPolarHBondContact O-CD 3.17Å
272	T	98.2	Very high	98.5	Very high	94 Å²	94	51 Å²	51	58%	0.577	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-83.9	117.9	173.4	-65.7	0	0	0	0	108.8	R201	R201-T272 PolarHBondContact NH1-OG1 2.79Å; R201-T272 PolarHBondContact NH2-OG1 3.26Å
273	P	98.7	Very high	98.4	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.032	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-64.7	143.5	176.9	-19.2	32	0	0	0	111.7	R201 L205 L267 E271 Y275	R201-P273 HydrophobicContact CB-CG 4Å; L205-P273 HydrophobicContact CD1-CB 3.38Å; L205-P273 HydrophobicContact CD1-CG 3.44Å; L205-P273 VanDerWaalsContact CD1-CG 3.44Å; L267-P273 HydrophobicContact CD1-CB 4.09Å; L267-P273 HydrophobicContact CD1-CG 3.99Å; E271-P273 WeakPolarHBondContact O-CD 3.17Å; P273-Y275 HydrophobicContact CB-CE1 4.15Å; P273-Y275 HydrophobicContact CB-CE2 4.08Å; P273-Y275 HydrophobicContact CG-CE1 4.36Å; P273-Y275 HydrophobicContact CG-CE2 4.34Å; P273-Y275 VanDerWaalsContact O-CD2 3.22Å; P273-Y275 WeakPolarHBondContact O-CD2 3.44Å; P273-Y275 WeakPolarHBondContact O-CE2 3.28Å; P273-Y275 PolarHBondContact O-N 3.05Å
274	D	98.7	Very high	98.4	Very high	82 Å²	82	52.9 Å²	52.9	44%	0.439	26%	0.261	S	S	.	.			trans	-83.3	82.6	168.2	-172.3	-14.8	0	0	0	109.2	Y263 M276 Y277 L278	Y263-D274 WeakPolarHBondContact OH-CB 3.26Å; Y263-D274 PolarHBondContact OH-N 3.47Å; D274-M276 PolarHBondContact O-N 3.21Å; D274-M276 PolarHBondContact OD1-N 2.9Å; D274-Y277 PolarHBondContact O-N 2.93Å; D274-Y277 PolarHBondContact OD1-N 3.36Å; D274-Y277 WeakPolarHBondContact OD2-CB 3.47Å; D274-L278 WeakPolarHBondContact O-CG 3.24Å; D274-L278 PolarHBondContact O-N 2.92Å; D274-L278 VanDerWaalsContact O-N 3.1Å
275	Y	98.7	Very high	98.4	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-31.4	178.5	-57.1	-85	0	0	0	112.1	E126 H129 L205 P273 L278 R279	E126-Y275 HydrophobicContact CB-CD1 3.72Å; E126-Y275 HydrophobicContact CB-CD2 4.42Å; E126-Y275 HydrophobicContact CB-CE1 4.07Å; E126-Y275 HydrophobicContact CB-CG 3.92Å; E126-Y275 HydrophobicContact CG-CD1 4.03Å; E126-Y275 HydrophobicContact CG-CD2 3.82Å; E126-Y275 HydrophobicContact CG-CE1 4.44Å; E126-Y275 HydrophobicContact CG-CE2 4.26Å; E126-Y275 HydrophobicContact CG-CG 3.71Å; H129-Y275 WeakPolarHBondContact CB-OH 3.06Å; H129-Y275 AromaticContact ND1-CE1 3.7Å; H129-Y275 AromaticContact ND1-CZ 3.59Å; H129-Y275 PolarHBondContact ND1-OH 3.17Å; L205-Y275 HydrophobicContact CD1-CE1 4.17Å; L205-Y275 HydrophobicContact CD2-CD1 4.37Å; L205-Y275 HydrophobicContact CD2-CE1 4.12Å; P273-Y275 HydrophobicContact CB-CE1 4.15Å; P273-Y275 HydrophobicContact CB-CE2 4.08Å; P273-Y275 HydrophobicContact CG-CE1 4.36Å; P273-Y275 HydrophobicContact CG-CE2 4.34Å; P273-Y275 VanDerWaalsContact O-CD2 3.22Å; P273-Y275 WeakPolarHBondContact O-CD2 3.44Å; P273-Y275 WeakPolarHBondContact O-CE2 3.28Å; P273-Y275 PolarHBondContact O-N 3.05Å; Y275-L278 PolarHBondContact O-N 3.22Å; Y275-R279 WeakPolarHBondContact O-CB 3.21Å; Y275-R279 WeakPolarHBondContact O-CG 3.1Å; Y275-R279 PolarHBondContact O-N 3.46Å
276	M	98.3	Very high	98.4	Very high	103 Å²	103	50.2 Å²	50.2	51%	0.507	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-47.3	179.5	-176	57.9	-179.5	0	0	110.1	D274 L278 R279 Q280	D274-M276 PolarHBondContact O-N 3.21Å; D274-M276 PolarHBondContact OD1-N 2.9Å; M276-L278 PolarHBondContact O-N 3.05Å; M276-R279 PolarHBondContact O-N 2.7Å; M276-Q280 HydrophobicContact CE-CG 3.72Å; M276-Q280 HydrophobicContact CG-CG 4.32Å; M276-Q280 WeakPolarHBondContact O-CB 3.4Å; M276-Q280 WeakPolarHBondContact O-CG 3.34Å; M276-Q280 PolarHBondContact O-N 3.37Å; M276-Q280 HydrophobicContact SD-CG 4.13Å
277	Y	98.7	Very high	98.3	Very high	81 Å²	81	56.2 Å²	56.2	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-54.8	-51.9	172	167.3	-106.8	0	0	0	111.7	Y263 D274 R279 Q280 L281	Y263-Y277 AromaticContact CD2-CD1 3.84Å; Y263-Y277 HydrophobicContact CD2-CD1 3.84Å; Y263-Y277 AromaticContact CD2-CE1 3.55Å; Y263-Y277 HydrophobicContact CD2-CE1 3.55Å; Y263-Y277 AromaticContact CE2-CD1 3.92Å; Y263-Y277 HydrophobicContact CE2-CD1 3.92Å; Y263-Y277 HydrophobicContact CE2-CE1 4.09Å; Y263-Y277 HydrophobicContact CG-CD1 4.34Å; Y263-Y277 HydrophobicContact CG-CE1 4Å; D274-Y277 PolarHBondContact O-N 2.93Å; D274-Y277 PolarHBondContact OD1-N 3.36Å; D274-Y277 WeakPolarHBondContact OD2-CB 3.47Å; Y277-R279 VanDerWaalsContact C-N 3.3Å; Y277-R279 PolarHBondContact O-N 2.98Å; Y277-Q280 PolarHBondContact O-N 3.01Å; Y277-L281 HydrophobicContact CE1-CD1 3.92Å; Y277-L281 HydrophobicContact CE1-CG 4.36Å; Y277-L281 HydrophobicContact CE2-CD2 3.83Å; Y277-L281 HydrophobicContact CE2-CG 4.2Å; Y277-L281 PolarHBondContact O-N 3.2Å
278	L	98.8	Very high	98.2	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-40.3	-179	-68.7	179	0	0	0	112.8	L122 L205 Y260 Y263 D274 Y275 M276 L281	L122-L278 HydrophobicContact CD1-CB 4.3Å; L122-L278 HydrophobicContact CD2-CB 4.46Å; L205-L278 HydrophobicContact CD1-CD1 3.92Å; L205-L278 HydrophobicContact CD2-CD1 4.2Å; Y260-L278 HydrophobicContact CD2-CB 4.25Å; Y260-L278 HydrophobicContact CD2-CD2 3.63Å; Y260-L278 HydrophobicContact CD2-CG 4.39Å; Y260-L278 HydrophobicContact CE2-CB 4.12Å; Y260-L278 HydrophobicContact CE2-CD1 4.08Å; Y260-L278 HydrophobicContact CE2-CD2 3.91Å; Y260-L278 HydrophobicContact CE2-CG 4.27Å; Y260-L278 HydrophobicContact CG-CD2 4.35Å; Y263-L278 HydrophobicContact CD1-CD1 4.08Å; Y263-L278 HydrophobicContact CD1-CD2 3.53Å; Y263-L278 HydrophobicContact CD1-CG 4.06Å; Y263-L278 HydrophobicContact CE1-CD1 4.02Å; Y263-L278 HydrophobicContact CE1-CD2 4.09Å; Y263-L278 HydrophobicContact CE1-CG 4.11Å; Y263-L278 HydrophobicContact CG-CD2 3.89Å; D274-L278 WeakPolarHBondContact O-CG 3.24Å; D274-L278 PolarHBondContact O-N 2.92Å; D274-L278 VanDerWaalsContact O-N 3.1Å; Y275-L278 PolarHBondContact O-N 3.22Å; M276-L278 PolarHBondContact O-N 3.05Å; L278-L281 HydrophobicContact CD2-CD1 4.36Å
279	R	98.5	Very high	98.1	Very high	43 Å²	43	57.4 Å²	57.4	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-70.7	-37	175.1	-69.4	176.6	73.9	176	11.4	111.9	D119 L122 E126 Y275 M276 Y277 L281 F282 R283	D119-R279 IonicContact OD1-CZ 3Å; D119-R279 IonicContact OD1-NE 3.46Å; D119-R279 PolarHBondContact OD1-NE 2.78Å; D119-R279 IonicContact OD1-NH2 3.99Å; D119-R279 PolarHBondContact OD1-NH2 3.32Å; D119-R279 VanDerWaalsContact OD1-NH2 3.14Å; D119-R279 IonicContact OD2-CZ 3.99Å; D119-R279 IonicContact OD2-NH2 3.84Å; D119-R279 PolarHBondContact OD2-NH2 3.12Å; L122-R279 HydrophobicContact CB-CG 3.81Å; L122-R279 HydrophobicContact CD1-CG 3.81Å; L122-R279 HydrophobicContact CG-CG 4.4Å; E126-R279 IonicContact OE2-NH1 2.68Å; Y275-R279 WeakPolarHBondContact O-CB 3.21Å; Y275-R279 WeakPolarHBondContact O-CG 3.1Å; Y275-R279 PolarHBondContact O-N 3.46Å; M276-R279 PolarHBondContact O-N 2.7Å; Y277-R279 VanDerWaalsContact C-N 3.3Å; Y277-R279 PolarHBondContact O-N 2.98Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 2.88Å; R279-F282 PolarHBondContact O-N 3.23Å; R279-R283 WeakPolarHBondContact O-CB 3.5Å; R279-R283 VanDerWaalsContact O-CG 3.25Å; R279-R283 WeakPolarHBondContact O-CG 3.35Å; R279-R283 PolarHBondContact O-N 2.91Å
280	Q	98.3	Very high	98	Very high	61 Å²	61	61.5 Å²	61.5	29%	0.285	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-33.6	179.2	-74.2	-70.9	81	0	0	112.5	M276 Y277 F282 R283 I284	M276-Q280 HydrophobicContact CE-CG 3.72Å; M276-Q280 HydrophobicContact CG-CG 4.32Å; M276-Q280 WeakPolarHBondContact O-CB 3.4Å; M276-Q280 WeakPolarHBondContact O-CG 3.34Å; M276-Q280 PolarHBondContact O-N 3.37Å; M276-Q280 HydrophobicContact SD-CG 4.13Å; Y277-Q280 PolarHBondContact O-N 3.01Å; Q280-F282 VanDerWaalsContact C-N 3.33Å; Q280-F282 PolarHBondContact O-N 2.82Å; Q280-R283 PolarHBondContact O-N 2.84Å; Q280-R283 VanDerWaalsContact OE1-CD 3.26Å; Q280-I284 HydrophobicContact CB-CD1 4.31Å; Q280-I284 VanDerWaalsContact O-CB 3.28Å; Q280-I284 WeakPolarHBondContact O-CB 3.48Å; Q280-I284 WeakPolarHBondContact O-CG1 3.26Å; Q280-I284 PolarHBondContact O-N 2.76Å
281	L	98.7	Very high	97.8	Very high	14 Å²	14	60 Å²	60	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-50.1	-55.1	170.8	-67.4	177.5	0	0	0	110.9	E256 M259 Y277 L278 R279 L285	E256-L281 HydrophobicContact CB-CB 4.21Å; E256-L281 HydrophobicContact CG-CB 4.35Å; M259-L281 HydrophobicContact CB-CD1 4.08Å; M259-L281 HydrophobicContact CB-CD2 4.34Å; M259-L281 HydrophobicContact CE-CD2 3.63Å; M259-L281 HydrophobicContact SD-CD2 4.12Å; Y277-L281 HydrophobicContact CE1-CD1 3.92Å; Y277-L281 HydrophobicContact CE1-CG 4.36Å; Y277-L281 HydrophobicContact CE2-CD2 3.83Å; Y277-L281 HydrophobicContact CE2-CG 4.2Å; Y277-L281 PolarHBondContact O-N 3.2Å; L278-L281 HydrophobicContact CD2-CD1 4.36Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 2.88Å; L281-L285 WeakPolarHBondContact O-CB 3.4Å; L281-L285 PolarHBondContact O-N 2.77Å; L281-L285 VanDerWaalsContact O-N 3.15Å
282	F	98.6	Very high	97.5	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-75	-33.5	-177.3	-59.7	-51.9	0	0	0	113.6	L115 A118 L122 L212 F257 Y260 R279 Q280 F286	L115-F282 HydrophobicContact CD2-CB 3.86Å; L115-F282 HydrophobicContact CD2-CD1 3.6Å; L115-F282 HydrophobicContact CD2-CG 4.07Å; A118-F282 HydrophobicContact CB-CD2 3.82Å; A118-F282 HydrophobicContact CB-CE2 4.2Å; A118-F282 HydrophobicContact CB-CG 4.14Å; L122-F282 HydrophobicContact CD1-CD2 3.95Å; L122-F282 HydrophobicContact CD1-CE2 4.05Å; L212-F282 HydrophobicContact CD1-CE2 3.77Å; L212-F282 HydrophobicContact CD1-CZ 3.69Å; F257-F282 AromaticContact CD1-CE1 3.69Å; F257-F282 HydrophobicContact CD1-CE1 3.69Å; F257-F282 HydrophobicContact CD1-CZ 4.15Å; F257-F282 HydrophobicContact CE1-CD1 4.36Å; F257-F282 AromaticContact CE1-CE1 3.64Å; F257-F282 HydrophobicContact CE1-CE1 3.64Å; F257-F282 HydrophobicContact CE1-CZ 4.26Å; F257-F282 HydrophobicContact CG-CE1 4.24Å; F257-F282 HydrophobicContact CZ-CE1 4.16Å; Y260-F282 AromaticContact CD2-CE2 3.44Å; Y260-F282 HydrophobicContact CD2-CE2 3.44Å; Y260-F282 VanDerWaalsContact CD2-CE2 3.44Å; Y260-F282 AromaticContact CD2-CZ 3.66Å; Y260-F282 HydrophobicContact CD2-CZ 3.66Å; Y260-F282 AromaticContact CE2-CE2 3.93Å; Y260-F282 HydrophobicContact CE2-CE2 3.93Å; Y260-F282 HydrophobicContact CE2-CZ 4.44Å; Y260-F282 HydrophobicContact CG-CE2 4.07Å; Y260-F282 AromaticContact CG-CZ 3.79Å; Y260-F282 HydrophobicContact CG-CZ 3.79Å; R279-F282 PolarHBondContact O-N 3.23Å; Q280-F282 VanDerWaalsContact C-N 3.33Å; Q280-F282 PolarHBondContact O-N 2.82Å; F282-F286 VanDerWaalsContact O-CB 3.27Å; F282-F286 WeakPolarHBondContact O-CB 3.5Å; F282-F286 PolarHBondContact O-N 3.3Å
283	R	97.8	Very high	97	Very high	76 Å²	76	64.1 Å²	64.1	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-41.1	177	-72.9	168.8	173.3	-164.8	-10.5	112.7	D119 R279 Q280 F286 R287	D119-R283 IonicContact OD1-CZ 3.92Å; D119-R283 VanDerWaalsContact OD1-CZ 3.31Å; D119-R283 IonicContact OD1-NE 3.73Å; D119-R283 PolarHBondContact OD1-NE 3.02Å; D119-R283 IonicContact OD1-NH2 3.76Å; D119-R283 PolarHBondContact OD1-NH2 3.47Å; D119-R283 VanDerWaalsContact OD1-NH2 3.13Å; D119-R283 IonicContact OD2-NE 2.86Å; D119-R283 IonicContact OD2-NH2 3.12Å; D119-R283 PolarHBondContact OD2-NH2 2.86Å; R279-R283 WeakPolarHBondContact O-CB 3.5Å; R279-R283 VanDerWaalsContact O-CG 3.25Å; R279-R283 WeakPolarHBondContact O-CG 3.35Å; R279-R283 PolarHBondContact O-N 2.91Å; Q280-R283 PolarHBondContact O-N 2.84Å; Q280-R283 VanDerWaalsContact OE1-CD 3.26Å; R283-F286 PolarHBondContact O-N 3.16Å; R283-R287 WeakPolarHBondContact O-CG 3.49Å; R283-R287 PolarHBondContact O-N 2.82Å
284	I	97.9	Very high	96.8	Very high	91 Å²	91	67 Å²	67	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-50.1	176.5	-68.5	167.7	0	0	0	108.7	Q280 F286 R287 T288	Q280-I284 HydrophobicContact CB-CD1 4.31Å; Q280-I284 VanDerWaalsContact O-CB 3.28Å; Q280-I284 WeakPolarHBondContact O-CB 3.48Å; Q280-I284 WeakPolarHBondContact O-CG1 3.26Å; Q280-I284 PolarHBondContact O-N 2.76Å; I284-F286 VanDerWaalsContact C-N 3.29Å; I284-F286 PolarHBondContact O-N 3.43Å; I284-R287 PolarHBondContact O-N 3.4Å; I284-T288 PolarHBondContact O-N 3.16Å; I284-T288 PolarHBondContact O-OG1 3.41Å
285	L	98.1	Very high	96.5	Very high	6 Å²	6	67.9 Å²	67.9	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-53.1	-45.8	175.3	176.7	59.6	0	0	0	112.5	L115 P254 E256 F257 L281 R287 T288 M289	L115-L285 HydrophobicContact CD1-CD2 4.12Å; L115-L285 HydrophobicContact CD1-CG 4Å; L115-L285 HydrophobicContact CD2-CD2 3.76Å; L115-L285 HydrophobicContact CD2-CG 4.38Å; P254-L285 HydrophobicContact CB-CD1 3.79Å; P254-L285 HydrophobicContact CB-CD2 3.54Å; P254-L285 HydrophobicContact CB-CG 4.33Å; P254-L285 HydrophobicContact CG-CD1 4.05Å; P254-L285 HydrophobicContact CG-CD2 3.87Å; E256-L285 HydrophobicContact CB-CD2 4.07Å; E256-L285 HydrophobicContact CG-CB 4.09Å; E256-L285 HydrophobicContact CG-CD2 4.22Å; F257-L285 HydrophobicContact CE2-CD2 4.31Å; L281-L285 WeakPolarHBondContact O-CB 3.4Å; L281-L285 PolarHBondContact O-N 2.77Å; L281-L285 VanDerWaalsContact O-N 3.15Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.7Å; L285-T288 PolarHBondContact O-N 3.21Å; L285-M289 HydrophobicContact CD1-CE 3.69Å; L285-M289 HydrophobicContact CD1-CG 4.17Å; L285-M289 HydrophobicContact CD1-SD 3.88Å; L285-M289 HydrophobicContact CG-SD 4.26Å; L285-M289 WeakPolarHBondContact O-CG 3.38Å; L285-M289 PolarHBondContact O-N 2.87Å
286	F	97.7	Very high	96.3	Very high	14 Å²	14	69.6 Å²	69.6	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-57.7	-42	177.5	-169.8	-91.5	0	0	0	112.6	K112 L115 M116 F282 R283 I284 H291 Q292 F293	K112-F286 HydrophobicContact CG-CE2 3.83Å; K112-F286 HydrophobicContact CG-CZ 4.25Å; L115-F286 HydrophobicContact CB-CD2 3.71Å; L115-F286 HydrophobicContact CB-CE2 4.46Å; L115-F286 HydrophobicContact CD1-CB 4.16Å; L115-F286 HydrophobicContact CD1-CD2 4.04Å; M116-F286 HydrophobicContact CG-CE2 3.62Å; M116-F286 HydrophobicContact CG-CZ 3.95Å; M116-F286 HydrophobicContact SD-CE2 4.49Å; M116-F286 HydrophobicContact SD-CZ 4.37Å; F282-F286 VanDerWaalsContact O-CB 3.27Å; F282-F286 WeakPolarHBondContact O-CB 3.5Å; F282-F286 PolarHBondContact O-N 3.3Å; R283-F286 PolarHBondContact O-N 3.16Å; I284-F286 VanDerWaalsContact C-N 3.29Å; I284-F286 PolarHBondContact O-N 3.43Å; F286-H291 HydrophobicContact CD1-CB 3.81Å; F286-H291 HydrophobicContact CD2-CB 3.78Å; F286-H291 VanDerWaalsContact CE1-C 3.48Å; F286-H291 HydrophobicContact CE1-CB 3.55Å; F286-H291 WeakPolarHBondContact CE1-O 3.44Å; F286-H291 HydrophobicContact CE2-CB 3.53Å; F286-H291 HydrophobicContact CG-CB 3.93Å; F286-H291 HydrophobicContact CZ-CB 3.42Å; F286-H291 VanDerWaalsContact CZ-CB 3.42Å; F286-H291 WeakPolarHBondContact O-CB 3.47Å; F286-H291 PolarHBondContact O-N 3.25Å; F286-H291 VanDerWaalsContact O-N 3.09Å; F286-Q292 WeakPolarHBondContact CZ-O 3.19Å; F286-F293 HydrophobicContact CD1-CD2 4.49Å; F286-F293 HydrophobicContact CE1-CB 3.89Å; F286-F293 AromaticContact CE1-CD2 3.89Å; F286-F293 HydrophobicContact CE1-CD2 3.89Å; F286-F293 HydrophobicContact CE1-CG 4.41Å; F286-F293 HydrophobicContact CZ-CB 4.28Å; F286-F293 AromaticContact CZ-CD2 3.88Å; F286-F293 HydrophobicContact CZ-CD2 3.88Å
287	R	96.9	Very high	96.2	Very high	184 Å²	184	64.8 Å²	64.8	69%	0.694	31%	0.309	S	S	*	.	H	α-helix	trans	-71.5	-42.3	176.8	-69.3	175.7	-176	-174.1	1	112.1	R283 I284 L285 M289 S290	R283-R287 WeakPolarHBondContact O-CG 3.49Å; R283-R287 PolarHBondContact O-N 2.82Å; I284-R287 PolarHBondContact O-N 3.4Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.7Å; R287-M289 PolarHBondContact O-N 2.95Å; R287-S290 WeakPolarHBondContact O-CA 3.44Å; R287-S290 PolarHBondContact O-N 2.83Å
288	T	96.9	Very high	96.1	Very high	105 Å²	105	61.8 Å²	61.8	64%	0.644	30%	0.299	S	S	*	.	H	α-helix	trans	-59.3	-35	177.3	-59.1	0	0	0	0	111.4	I284 L285 S290	I284-T288 PolarHBondContact O-N 3.16Å; I284-T288 PolarHBondContact O-OG1 3.41Å; L285-T288 PolarHBondContact O-N 3.21Å; T288-S290 PolarHBondContact O-N 3.2Å
289	M	96.3	Very high	96	Very high	73 Å²	73	62.5 Å²	62.5	36%	0.36	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	8	174.4	-67.3	-176.2	159.6	0	0	114.1	L111 P254 L285 R287 H291	L111-M289 HydrophobicContact CD2-CE 3.46Å; L111-M289 VanDerWaalsContact CD2-CE 3.46Å; L111-M289 HydrophobicContact CD2-SD 3.31Å; L111-M289 WeakPolarHBondContact CD2-SD 3.39Å; L111-M289 HydrophobicContact CG-SD 4.16Å; P254-M289 HydrophobicContact CG-CE 3.76Å; L285-M289 HydrophobicContact CD1-CE 3.69Å; L285-M289 HydrophobicContact CD1-CG 4.17Å; L285-M289 HydrophobicContact CD1-SD 3.88Å; L285-M289 HydrophobicContact CG-SD 4.26Å; L285-M289 WeakPolarHBondContact O-CG 3.38Å; L285-M289 PolarHBondContact O-N 2.87Å; R287-M289 PolarHBondContact O-N 2.95Å; M289-H291 PolarHBondContact O-N 3.08Å; M289-H291 VanDerWaalsContact O-N 3.08Å; M289-H291 PolarHBondContact O-ND1 2.62Å
290	S	95.6	Very high	95.8	Very high	105 Å²	105	62.4 Å²	62.4	73%	0.734	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	30.6	-178.4	-54.4	0	0	0	0	113.6	R287 T288	R287-S290 WeakPolarHBondContact O-CA 3.44Å; R287-S290 PolarHBondContact O-N 2.83Å; T288-S290 PolarHBondContact O-N 3.2Å
291	H	95.1	Very high	95.4	Very high	58 Å²	58	62.3 Å²	62.3	27%	0.269	31%	0.307	S	S	.	.			trans	-74.1	140.4	175	-68	-26.3	0	0	0	110.4	K112 F286 M289	K112-H291 HydrophobicContact CG-CB 4.2Å; F286-H291 HydrophobicContact CD1-CB 3.81Å; F286-H291 HydrophobicContact CD2-CB 3.78Å; F286-H291 VanDerWaalsContact CE1-C 3.48Å; F286-H291 HydrophobicContact CE1-CB 3.55Å; F286-H291 WeakPolarHBondContact CE1-O 3.44Å; F286-H291 HydrophobicContact CE2-CB 3.53Å; F286-H291 HydrophobicContact CG-CB 3.93Å; F286-H291 HydrophobicContact CZ-CB 3.42Å; F286-H291 VanDerWaalsContact CZ-CB 3.42Å; F286-H291 WeakPolarHBondContact O-CB 3.47Å; F286-H291 PolarHBondContact O-N 3.25Å; F286-H291 VanDerWaalsContact O-N 3.09Å; M289-H291 PolarHBondContact O-N 3.08Å; M289-H291 VanDerWaalsContact O-N 3.08Å; M289-H291 PolarHBondContact O-ND1 2.62Å
292	Q	90.8	Very high	94.9	Very high	145 Å²	145	65.1 Å²	65.1	68%	0.678	32%	0.321	S	S	*	.			trans	-91.2	134.3	172.9	-63.6	-175	7.7	0	0	110.1	K112 F286 D294	K112-Q292 WeakPolarHBondContact CE-O 3.38Å; F286-Q292 WeakPolarHBondContact CZ-O 3.19Å; Q292-D294 PolarHBondContact O-N 2.83Å
293	F	89.1	Confident	94.4	Very high	87 Å²	87	71 Å²	71	38%	0.382	35%	0.347	S	S	.	.			trans	-85.1	66.3	178.3	-156.7	-92.4	0	0	0	110.2	M116 F286 Y295	M116-F293 HydrophobicContact CB-CE2 4.27Å; M116-F293 HydrophobicContact CG-CD2 4Å; M116-F293 HydrophobicContact CG-CE2 3.81Å; M116-F293 HydrophobicContact SD-CD2 4.49Å; F286-F293 HydrophobicContact CD1-CD2 4.49Å; F286-F293 HydrophobicContact CE1-CB 3.89Å; F286-F293 AromaticContact CE1-CD2 3.89Å; F286-F293 HydrophobicContact CE1-CD2 3.89Å; F286-F293 HydrophobicContact CE1-CG 4.41Å; F286-F293 HydrophobicContact CZ-CB 4.28Å; F286-F293 AromaticContact CZ-CD2 3.88Å; F286-F293 HydrophobicContact CZ-CD2 3.88Å; F293-Y295 HydrophobicContact CD1-CE1 4.13Å; F293-Y295 HydrophobicContact CD1-CE2 4.2Å; F293-Y295 AromaticContact CD1-CZ 3.88Å; F293-Y295 HydrophobicContact CE1-CD1 4.12Å; F293-Y295 AromaticContact CE1-CE1 3.4Å; F293-Y295 HydrophobicContact CE1-CE1 3.4Å; F293-Y295 HydrophobicContact CE1-CE2 4.23Å; F293-Y295 AromaticContact CE1-CZ 3.46Å; F293-Y295 VanDerWaalsContact CE1-CZ 3.46Å; F293-Y295 HydrophobicContact CZ-CE1 4.14Å
294	D	92.7	Very high	93.6	Very high	65 Å²	65	74.8 Å²	74.8	35%	0.348	37%	0.368	S	S	.	.	S	Bend	trans	-95.9	0	-174	57.7	8.8	0	0	0	113.4	K112 Q292 V296	K112-D294 WeakPolarHBondContact CE-OD1 3.3Å; K112-D294 IonicContact NZ-OD1 3.44Å; K112-D294 PolarHBondContact NZ-OD1 3.03Å; K112-D294 IonicContact NZ-OD2 2.89Å; K112-D294 PolarHBondContact NZ-OD2 2.67Å; Q292-D294 PolarHBondContact O-N 2.83Å; D294-V296 HydrophobicContact CB-CG2 4.09Å; D294-V296 VanDerWaalsContact CG-CG2 3.47Å; D294-V296 PolarHBondContact O-N 2.92Å; D294-V296 WeakPolarHBondContact OD1-CB 3.1Å; D294-V296 PolarHBondContact OD1-N 2.89Å
295	Y	92.9	Very high	92.6	Very high	101 Å²	101	79.7 Å²	79.7	40%	0.396	38%	0.381	S	S	.	.			trans	58.8	21.3	-172.1	-54.3	-82.8	0	0	0	114.4	N152 F293 F297	N152-Y295 HydrophobicContact CB-CD1 3.88Å; N152-Y295 HydrophobicContact CB-CG 3.93Å; F293-Y295 HydrophobicContact CD1-CE1 4.13Å; F293-Y295 HydrophobicContact CD1-CE2 4.2Å; F293-Y295 AromaticContact CD1-CZ 3.88Å; F293-Y295 HydrophobicContact CE1-CD1 4.12Å; F293-Y295 AromaticContact CE1-CE1 3.4Å; F293-Y295 HydrophobicContact CE1-CE1 3.4Å; F293-Y295 HydrophobicContact CE1-CE2 4.23Å; F293-Y295 AromaticContact CE1-CZ 3.46Å; F293-Y295 VanDerWaalsContact CE1-CZ 3.46Å; F293-Y295 HydrophobicContact CZ-CE1 4.14Å; Y295-F297 WeakPolarHBondContact O-CD2 3.44Å; Y295-F297 WeakPolarHBondContact O-CE2 3.49Å; Y295-F297 PolarHBondContact O-N 2.88Å
296	V	94.2	Very high	90.7	Very high	47 Å²	47	81.3 Å²	81.3	29%	0.285	40%	0.398	S	S	.	.			trans	-86.4	98.6	173.1	-178.6	0	0	0	0	108.7	M116 D294 T300 I301	M116-V296 VanDerWaalsContact CE-O 3.26Å; M116-V296 WeakPolarHBondContact CE-O 3.22Å; D294-V296 HydrophobicContact CB-CG2 4.09Å; D294-V296 VanDerWaalsContact CG-CG2 3.47Å; D294-V296 PolarHBondContact O-N 2.92Å; D294-V296 WeakPolarHBondContact OD1-CB 3.1Å; D294-V296 PolarHBondContact OD1-N 2.89Å; V296-T300 HydrophobicContact CG1-CG2 4.38Å; V296-I301 HydrophobicContact CG1-CD1 4.04Å; V296-I301 HydrophobicContact CG1-CG1 3.68Å
297	F	96.5	Very high	88.4	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.009	44%	0.436	C	S	.	.			trans	-86.5	166	173.5	-56.2	-82	0	0	0	111.6	T113 M116 L117 M145 N152 Y295 W299 T300 I301	T113-F297 HydrophobicContact CG2-CD1 4.09Å; M116-F297 HydrophobicContact CB-CD1 4.48Å; M116-F297 HydrophobicContact CB-CE1 3.76Å; M116-F297 HydrophobicContact CB-CZ 4.48Å; M116-F297 HydrophobicContact CE-CD1 3.66Å; M116-F297 HydrophobicContact CE-CE1 3.89Å; M116-F297 HydrophobicContact CE-CG 4.21Å; M116-F297 HydrophobicContact SD-CE1 4.44Å; L117-F297 HydrophobicContact CD2-CE1 3.98Å; L117-F297 HydrophobicContact CG-CE1 4.16Å; M145-F297 HydrophobicContact CE-CE2 4.04Å; M145-F297 HydrophobicContact CE-CZ 4.29Å; N152-F297 HydrophobicContact CB-CE2 4.44Å; Y295-F297 WeakPolarHBondContact O-CD2 3.44Å; Y295-F297 WeakPolarHBondContact O-CE2 3.49Å; Y295-F297 PolarHBondContact O-N 2.88Å; F297-W299 VanDerWaalsContact C-N 3.29Å; F297-W299 HydrophobicContact CB-CD2 3.66Å; F297-W299 HydrophobicContact CB-CE3 3.92Å; F297-W299 HydrophobicContact CB-CG 4.36Å; F297-W299 HydrophobicContact CB-CH2 3.63Å; F297-W299 HydrophobicContact CB-CZ2 3.35Å; F297-W299 HydrophobicContact CB-CZ3 3.9Å; F297-W299 AromaticContact CD1-CH2 3.61Å; F297-W299 HydrophobicContact CD1-CH2 3.61Å; F297-W299 AromaticContact CD1-CZ2 3.72Å; F297-W299 HydrophobicContact CD1-CZ2 3.72Å; F297-W299 HydrophobicContact CD1-CZ3 4.4Å; F297-W299 AromaticContact CD2-CE2 3.93Å; F297-W299 HydrophobicContact CD2-CH2 4.26Å; F297-W299 AromaticContact CD2-CZ2 3.5Å; F297-W299 HydrophobicContact CD2-CZ2 3.5Å; F297-W299 VanDerWaalsContact CD2-CZ2 3.5Å; F297-W299 HydrophobicContact CE1-CH2 4.29Å; F297-W299 HydrophobicContact CE1-CZ2 4.34Å; F297-W299 HydrophobicContact CE2-CZ2 4.18Å; F297-W299 HydrophobicContact CG-CD2 4.48Å; F297-W299 AromaticContact CG-CE2 3.72Å; F297-W299 AromaticContact CG-CH2 3.58Å; F297-W299 HydrophobicContact CG-CH2 3.58Å; F297-W299 AromaticContact CG-CZ2 3.23Å; F297-W299 HydrophobicContact CG-CZ2 3.23Å; F297-W299 HydrophobicContact CG-CZ3 4.33Å; F297-W299 PolarHBondContact O-N 2.87Å; F297-T300 VanDerWaalsContact O-CB 3.23Å; F297-T300 WeakPolarHBondContact O-CB 3.35Å; F297-T300 PolarHBondContact O-N 2.9Å; F297-I301 PolarHBondContact O-N 2.82Å
298	D	97.1	Very high	85.7	Confident	19 Å²	19	83.5 Å²	83.5	10%	0.102	45%	0.447	C	S	.	.	H	α-helix	trans	-56.6	-40.9	-178.1	-62.4	-46.8	0	0	0	113.2	F109 T110 T113 T300 I301 L302	F109-D298 WeakPolarHBondContact CA-OD2 3.4Å; F109-D298 HydrophobicContact CD1-CB 4.48Å; T110-D298 WeakPolarHBondContact CB-OD1 3.42Å; T110-D298 WeakPolarHBondContact CG2-OD1 3.44Å; T110-D298 PolarHBondContact N-OD2 2.91Å; T110-D298 PolarHBondContact OG1-OD1 2.78Å; T110-D298 PolarHBondContact OG1-OD2 2.92Å; T113-D298 WeakPolarHBondContact CB-OD2 3.43Å; T113-D298 PolarHBondContact OG1-N 2.88Å; T113-D298 VanDerWaalsContact OG1-N 3.14Å; T113-D298 PolarHBondContact OG1-OD1 3.13Å; T113-D298 PolarHBondContact OG1-OD2 2.96Å; D298-T300 VanDerWaalsContact C-N 3.27Å; D298-T300 PolarHBondContact O-N 3.14Å; D298-I301 PolarHBondContact O-N 3.06Å; D298-L302 WeakPolarHBondContact O-CG 3.35Å; D298-L302 PolarHBondContact O-N 3Å
299	W	96.5	Very high	82.7	Confident	14 Å²	14	81.5 Å²	81.5	5%	0.053	45%	0.447	C	S	.	.	H	α-helix	trans	-68.5	-24.7	177.5	57.4	82.1	0	0	0	113.2	L98 L101 F104 F109 T113 L117 M145 F297 I301 K303	L98-W299 HydrophobicContact CD2-CH2 4.31Å; L101-W299 HydrophobicContact CB-CD2 4.22Å; L101-W299 HydrophobicContact CB-CE3 3.81Å; L101-W299 HydrophobicContact CB-CZ3 4.1Å; L101-W299 HydrophobicContact CD1-CD2 3.89Å; L101-W299 HydrophobicContact CD1-CE3 4.06Å; L101-W299 HydrophobicContact CD1-CH2 3.91Å; L101-W299 HydrophobicContact CD1-CZ2 3.73Å; L101-W299 HydrophobicContact CD1-CZ3 4.07Å; L101-W299 HydrophobicContact CD2-CB 3.96Å; L101-W299 HydrophobicContact CD2-CD2 3.77Å; L101-W299 HydrophobicContact CD2-CE3 4.24Å; L101-W299 HydrophobicContact CD2-CG 3.65Å; L101-W299 HydrophobicContact CG-CD2 4.18Å; L101-W299 HydrophobicContact CG-CE3 4.26Å; F104-W299 HydrophobicContact CD1-CB 3.76Å; F104-W299 HydrophobicContact CE1-CB 3.89Å; F109-W299 HydrophobicContact CD1-CZ3 4.48Å; F109-W299 AromaticContact CE1-CE3 3.83Å; F109-W299 HydrophobicContact CE1-CE3 3.83Å; F109-W299 AromaticContact CE1-CZ3 3.75Å; F109-W299 HydrophobicContact CE1-CZ3 3.75Å; F109-W299 HydrophobicContact CE2-CZ3 4.26Å; F109-W299 HydrophobicContact CZ-CE3 4.08Å; F109-W299 AromaticContact CZ-CZ3 3.63Å; F109-W299 HydrophobicContact CZ-CZ3 3.63Å; T113-W299 HydrophobicContact CG2-CH2 4.25Å; T113-W299 HydrophobicContact CG2-CZ3 3.79Å; L117-W299 HydrophobicContact CD1-CH2 4.18Å; L117-W299 HydrophobicContact CD1-CZ3 4.42Å; L117-W299 HydrophobicContact CD2-CH2 4.18Å; M145-W299 HydrophobicContact CE-CZ2 4.29Å; M145-W299 HydrophobicContact CG-CZ2 4.12Å; M145-W299 HydrophobicContact SD-CZ2 4.13Å; F297-W299 VanDerWaalsContact C-N 3.29Å; F297-W299 HydrophobicContact CB-CD2 3.66Å; F297-W299 HydrophobicContact CB-CE3 3.92Å; F297-W299 HydrophobicContact CB-CG 4.36Å; F297-W299 HydrophobicContact CB-CH2 3.63Å; F297-W299 HydrophobicContact CB-CZ2 3.35Å; F297-W299 HydrophobicContact CB-CZ3 3.9Å; F297-W299 AromaticContact CD1-CH2 3.61Å; F297-W299 HydrophobicContact CD1-CH2 3.61Å; F297-W299 AromaticContact CD1-CZ2 3.72Å; F297-W299 HydrophobicContact CD1-CZ2 3.72Å; F297-W299 HydrophobicContact CD1-CZ3 4.4Å; F297-W299 AromaticContact CD2-CE2 3.93Å; F297-W299 HydrophobicContact CD2-CH2 4.26Å; F297-W299 AromaticContact CD2-CZ2 3.5Å; F297-W299 HydrophobicContact CD2-CZ2 3.5Å; F297-W299 VanDerWaalsContact CD2-CZ2 3.5Å; F297-W299 HydrophobicContact CE1-CH2 4.29Å; F297-W299 HydrophobicContact CE1-CZ2 4.34Å; F297-W299 HydrophobicContact CE2-CZ2 4.18Å; F297-W299 HydrophobicContact CG-CD2 4.48Å; F297-W299 AromaticContact CG-CE2 3.72Å; F297-W299 AromaticContact CG-CH2 3.58Å; F297-W299 HydrophobicContact CG-CH2 3.58Å; F297-W299 AromaticContact CG-CZ2 3.23Å; F297-W299 HydrophobicContact CG-CZ2 3.23Å; F297-W299 HydrophobicContact CG-CZ3 4.33Å; F297-W299 PolarHBondContact O-N 2.87Å; W299-I301 VanDerWaalsContact C-N 3.33Å; W299-K303 WeakPolarHBondContact O-CB 3.23Å; W299-K303 VanDerWaalsContact O-CG 3.3Å; W299-K303 WeakPolarHBondContact O-CG 3.29Å; W299-K303 PolarHBondContact O-N 3.31Å
300	T	93.3	Very high	79.5	Confident	42 Å²	42	84.1 Å²	84.1	26%	0.258	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-42.7	174	-54.6	0	0	0	0	109.9	V296 F297 D298 Q304	V296-T300 HydrophobicContact CG1-CG2 4.38Å; F297-T300 VanDerWaalsContact O-CB 3.23Å; F297-T300 WeakPolarHBondContact O-CB 3.35Å; F297-T300 PolarHBondContact O-N 2.9Å; D298-T300 VanDerWaalsContact C-N 3.27Å; D298-T300 PolarHBondContact O-N 3.14Å; T300-Q304 WeakPolarHBondContact O-CG 3.42Å; T300-Q304 PolarHBondContact O-N 2.92Å
301	I	90.1	Very high	76.3	Confident	59 Å²	59	85.4 Å²	85.4	30%	0.303	48%	0.477	S	S	.	.	H	α-helix	trans	-71	-44.2	179	-55.8	172.4	0	0	0	110.7	V296 F297 D298 W299 K303 Q304 R305	V296-I301 HydrophobicContact CG1-CD1 4.04Å; V296-I301 HydrophobicContact CG1-CG1 3.68Å; F297-I301 PolarHBondContact O-N 2.82Å; D298-I301 PolarHBondContact O-N 3.06Å; W299-I301 VanDerWaalsContact C-N 3.33Å; I301-K303 VanDerWaalsContact C-N 3.33Å; I301-K303 PolarHBondContact O-N 3.18Å; I301-Q304 PolarHBondContact O-N 3.12Å; I301-R305 PolarHBondContact O-N 2.85Å; I301-R305 VanDerWaalsContact O-N 3.12Å
302	L	89.6	Confident	73.1	Confident	73 Å²	73	86.7 Å²	86.7	38%	0.382	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-37.7	-179.7	-73.7	169.9	0	0	0	112.6	F104 C105 D298 Q304 R305 G306	F104-L302 HydrophobicContact CE1-CB 3.84Å; F104-L302 HydrophobicContact CE1-CD1 4.32Å; F104-L302 HydrophobicContact CZ-CB 4.2Å; C105-L302 HydrophobicContact CB-CD1 4.12Å; D298-L302 WeakPolarHBondContact O-CG 3.35Å; D298-L302 PolarHBondContact O-N 3Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.23Å; L302-R305 PolarHBondContact O-N 2.85Å; L302-G306 PolarHBondContact O-N 2.8Å
303	K	87.5	Confident	70.1	Confident	124 Å²	124	85.7 Å²	85.7	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-36.5	174.5	-77	178.7	-179.8	-175	0	112.7	F104 W299 I301 R305 G306	F104-K303 HydrophobicContact CE1-CG 4.23Å; F104-K303 HydrophobicContact CZ-CG 4.15Å; W299-K303 WeakPolarHBondContact O-CB 3.23Å; W299-K303 VanDerWaalsContact O-CG 3.3Å; W299-K303 WeakPolarHBondContact O-CG 3.29Å; W299-K303 PolarHBondContact O-N 3.31Å; I301-K303 VanDerWaalsContact C-N 3.33Å; I301-K303 PolarHBondContact O-N 3.18Å; K303-R305 VanDerWaalsContact C-N 3.32Å; K303-G306 PolarHBondContact O-N 2.95Å
304	Q	81.4	Confident	67.3	Low	157 Å²	157	88.9 Å²	88.9	73%	0.734	52%	0.516	S	S	*	.	H	α-helix	trans	-72.1	-25.7	176.2	-68.3	174.4	2.5	0	0	112.9	T300 I301 L302	T300-Q304 WeakPolarHBondContact O-CG 3.42Å; T300-Q304 PolarHBondContact O-N 2.92Å; I301-Q304 PolarHBondContact O-N 3.12Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.23Å
305	R	76.5	Confident	64.3	Low	194 Å²	194	93 Å²	93	73%	0.732	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	2.7	176.8	-68.5	179.1	174.9	169.6	-2	114	I301 L302 K303	I301-R305 PolarHBondContact O-N 2.85Å; I301-R305 VanDerWaalsContact O-N 3.12Å; L302-R305 PolarHBondContact O-N 2.85Å; K303-R305 VanDerWaalsContact C-N 3.32Å
306	G	57.1	Low	61.3	Low	39 Å²	39	97.7 Å²	97.7	40%	0.402	56%	0.564	S	S	.	*	S	Bend	trans	-54.7	157.7	173	0	0	0	0	0	111.8	L302 K303 A308	L302-G306 PolarHBondContact O-N 2.8Å; K303-G306 PolarHBondContact O-N 2.95Å; G306-A308 PolarHBondContact O-N 2.82Å
307	P	50.1	Low	58.4	Low	132 Å²	132	102.6 Å²	102.6	86%	0.857	59%	0.589	S	S	*	*			trans	-54.4	101.7	-147.8	22.4	-32.9	0	0	0	112.8	G309	P307-G309 PolarHBondContact O-N 3.5Å
308	A	41	Very low	55.4	Low	112 Å²	112	109.3 Å²	109.3	93%	0.926	63%	0.63	S	S	*	*			trans	-66.5	87.9	159	0	0	0	0	0	107.2	G306	G306-A308 PolarHBondContact O-N 2.82Å
309	G	33.7	Very low	52.2	Low	63 Å²	63	111.3 Å²	111.3	65%	0.649	66%	0.655	S	S	*	*			trans	-174	23.7	-174.6	0	0	0	0	0	115.8	P307	P307-G309 PolarHBondContact O-N 3.5Å
310	T	28.9	Very low	49.3	Very low	128 Å²	128	119 Å²	119	79%	0.785	70%	0.697	S	S	*	*			trans	-150.3	85	159.3	-34.3	0	0	0	0	109.5	S312	T310-S312 PolarHBondContact O-N 3.06Å
311	S	27.9	Very low	46.3	Very low	132 Å²	132	128 Å²	128	92%	0.923	73%	0.727	S	S	*	*			trans	-67.3	104.5	161.4	-67.6	0	0	0	0	108.7
312	S	28.9	Very low	43.8	Very low	85 Å²	85	130 Å²	130	59%	0.594	74%	0.737	S	S	*	*			trans	-161.7	100.9	158.3	55.4	0	0	0	0	110.2	T310	T310-S312 PolarHBondContact O-N 3.06Å
313	T	27.2	Very low	41	Very low	125 Å²	125	135.2 Å²	135.2	77%	0.767	76%	0.759	S	S	*	*			trans	41.4	124.2	138.1	51.5	0	0	0	0	120.9
314	L	30.1	Very low	38.6	Very low	153 Å²	153	133.3 Å²	133.3	80%	0.801	77%	0.767	S	S	*	*			trans	72.2	102.7	142.8	-60.2	169.4	0	0	0	119
315	N	30.2	Very low	36.5	Very low	151 Å²	151	129 Å²	129	81%	0.807	75%	0.748	S	S	*	*				159.4	128	106.9	-87.3	-15.8	0	0	0	110.6	D317	N315-D317 PolarHBondContact O-N 3.46Å
316	E	29.5	Very low	34.2	Very low	201 Å²	201	125 Å²	125	94%	0.939	75%	0.748	S	S	*	*			trans	-61	110.2	165.5	-66.1	175.3	141.8	0	0	108.8
317	D	33.8	Very low	32.8	Very low	149 Å²	149	131 Å²	131	80%	0.797	77%	0.77	S	S	*	*			trans	-142.6	116.2	149.8	-154.9	-0.4	0	0	0	110.4	N315 G319	N315-D317 PolarHBondContact O-N 3.46Å; D317-G319 PolarHBondContact O-N 2.92Å; D317-G319 VanDerWaalsContact O-N 3.16Å
318	T	32.5	Very low	31.8	Very low	143 Å²	143	130.1 Å²	130.1	88%	0.877	77%	0.768	S	S	*	*			trans	-73.6	95.2	-175.1	39.2	0	0	0	0	110.6
319	G	31.3	Very low	31.2	Very low	62 Å²	62	131.1 Å²	131.1	64%	0.639	77%	0.765	S	S	*	*			trans	-148.9	90.6	168.6	0	0	0	0	0	109.6	D317 R321	D317-G319 PolarHBondContact O-N 2.92Å; D317-G319 VanDerWaalsContact O-N 3.16Å; G319-R321 PolarHBondContact O-N 3.04Å
320	N	34	Very low	30.8	Very low	174 Å²	174	131.2 Å²	131.2	93%	0.93	77%	0.766	S	S	*	*			trans	-69.3	69	177.8	-149.6	16.7	0	0	0	109.5	I322	N320-I322 PolarHBondContact O-N 3.24Å
321	R	31.7	Very low	30.6	Very low	231 Å²	231	131.9 Å²	131.9	87%	0.872	77%	0.77	S	S	*	*			trans	-71.2	122.6	177.9	-161.9	175.3	-170	179.5	3	106.4	G319 Q323	G319-R321 PolarHBondContact O-N 3.04Å; R321-Q323 VanDerWaalsContact C-N 3.28Å; R321-Q323 PolarHBondContact O-N 2.68Å
322	I	36.8	Very low	30.6	Very low	103 Å²	103	131.4 Å²	131.4	53%	0.528	77%	0.766	S	S	.	*			trans	-57.5	95.2	172.3	-59.1	173.1	0	0	0	107.4	N320 A324	N320-I322 PolarHBondContact O-N 3.24Å; I322-A324 PolarHBondContact O-N 3.21Å; I322-A324 VanDerWaalsContact O-N 3.16Å
323	Q	31.4	Very low	30.7	Very low	181 Å²	181	132 Å²	132	85%	0.846	78%	0.777	S	S	*	*			trans	-64.6	111.8	157.8	-94	179.2	-6.7	0	0	105.4	R321 L325	R321-Q323 VanDerWaalsContact C-N 3.28Å; R321-Q323 PolarHBondContact O-N 2.68Å; Q323-L325 PolarHBondContact O-N 2.86Å
324	A	36.2	Very low	30.6	Very low	84 Å²	84	130.3 Å²	130.3	69%	0.694	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-50.2	128.3	161.5	0	0	0	0	0	107.1	I322	I322-A324 PolarHBondContact O-N 3.21Å; I322-A324 VanDerWaalsContact O-N 3.16Å
325	L	37.5	Very low	30.7	Very low	67 Å²	67	128.2 Å²	128.2	35%	0.351	77%	0.771	S	S	.	*	P	Polyproline II helix	trans	-53.4	130.8	176.2	-69.3	169.8	0	0	0	108.4	F104 Q323 N327	F104-L325 HydrophobicContact CB-CD1 4.01Å; F104-L325 HydrophobicContact CD2-CD1 3.74Å; F104-L325 HydrophobicContact CD2-CD2 3.58Å; F104-L325 HydrophobicContact CD2-CG 4.14Å; F104-L325 HydrophobicContact CE2-CD1 4.43Å; F104-L325 HydrophobicContact CE2-CD2 3.42Å; F104-L325 VanDerWaalsContact CE2-CD2 3.42Å; F104-L325 HydrophobicContact CE2-CG 4.44Å; F104-L325 HydrophobicContact CG-CD1 3.89Å; F104-L325 HydrophobicContact CG-CD2 4.33Å; F104-L325 HydrophobicContact CZ-CD2 4.04Å; Q323-L325 PolarHBondContact O-N 2.86Å; L325-N327 PolarHBondContact O-N 2.9Å
326	P	29.3	Very low	31	Very low	111 Å²	111	127 Å²	127	72%	0.721	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-63.4	132	-179.3	22.1	-29.8	0	0	0	110.2	S328	P326-S328 PolarHBondContact O-N 3.47Å
327	N	28	Very low	31.1	Very low	163 Å²	163	121.3 Å²	121.3	87%	0.872	76%	0.755	S	S	*	*			trans	-61	105.6	168.2	-80.3	-14.6	0	0	0	108.4	L325 P329	L325-N327 PolarHBondContact O-N 2.9Å; N327-P329 WeakPolarHBondContact O-CD 3.29Å
328	S	28.6	Very low	31.5	Very low	115 Å²	115	116.6 Å²	116.6	80%	0.804	73%	0.729	S	S	*	*			trans	-68.2	127.5	168	-72.1	0	0	0	0	110	P326	P326-S328 PolarHBondContact O-N 3.47Å
329	P	28.7	Very low	32	Very low	132 Å²	132	112.9 Å²	112.9	86%	0.857	71%	0.712	S	S	*	*			trans	-87.4	116.8	168.2	31.5	-25.2	0	0	0	108.9	N327	N327-P329 WeakPolarHBondContact O-CD 3.29Å
330	G	25	Very low	32.7	Very low	65 Å²	65	111.3 Å²	111.3	67%	0.67	69%	0.689	S	S	*	*			trans	167.6	102	175.1	0	0	0	0	0	115.6
331	T	24.5	Very low	33.7	Very low	142 Å²	142	103.6 Å²	103.6	87%	0.871	65%	0.649	S	S	*	*			trans	47.2	121.8	148.1	48.2	0	0	0	0	121.1
332	S	28.4	Very low	34.2	Very low	122 Å²	122	96.5 Å²	96.5	85%	0.853	63%	0.625	S	S	*	*	S	Bend	trans	98.4	118.3	164.1	87.3	0	0	0	0	116.8
333	A	29.2	Very low	34.1	Very low	98 Å²	98	97 Å²	97	81%	0.81	63%	0.625	S	S	*	*			trans	37.2	88.2	173.1	0	0	0	0	0	116.4
334	A	25.9	Very low	34	Very low	89 Å²	89	93.7 Å²	93.7	74%	0.736	62%	0.622	S	S	*	*			trans	-49.4	138.2	160.8	0	0	0	0	0	110.2	E336	A334-E336 PolarHBondContact O-N 2.88Å
335	P	32.6	Very low	33.6	Very low	109 Å²	109	92.6 Å²	92.6	71%	0.708	62%	0.618	S	S	*	*			trans	-65.5	110.9	175.9	24.9	-29.7	0	0	0	108.9	G337	P335-G337 PolarHBondContact O-N 3.13Å
336	E	35.3	Very low	33	Very low	126 Å²	126	97.2 Å²	97.2	59%	0.589	64%	0.644	S	S	*	*			trans	-57	117.9	168.4	-70.1	-178.5	161.4	0	0	107.9	K233 A334 E338	K233-E336 IonicContact NZ-OE2 3.31Å; K233-E336 PolarHBondContact NZ-OE2 3.06Å; A334-E336 PolarHBondContact O-N 2.88Å; E336-E338 PolarHBondContact O-N 2.9Å
337	G	31.6	Very low	33	Very low	81 Å²	81	96.5 Å²	96.5	84%	0.835	65%	0.647	S	S	*	*			trans	-62.3	94.2	176.6	0	0	0	0	0	111	P335 A339	P335-G337 PolarHBondContact O-N 3.13Å; G337-A339 PolarHBondContact O-N 3.22Å
338	E	44.1	Very low	33	Very low	51 Å²	51	95 Å²	95	24%	0.238	64%	0.644	C	S	.	*			trans	-79.5	97.5	172.3	-75.3	179.4	145.6	0	0	108.6	R187 E336	R187-E338 IonicContact CZ-OE2 2.74Å; R187-E338 IonicContact NE-OE2 2.69Å; R187-E338 PolarHBondContact NE-OE2 2.86Å; R187-E338 VanDerWaalsContact NE-OE2 3.07Å; R187-E338 IonicContact NH2-OE2 3.11Å; R187-E338 PolarHBondContact NH2-OE2 3.06Å; E336-E338 PolarHBondContact O-N 2.9Å
339	A	42.6	Very low	33.2	Very low	65 Å²	65	93.9 Å²	93.9	54%	0.537	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-62.6	141.2	168.9	0	0	0	0	0	110.8	G337	G337-A339 PolarHBondContact O-N 3.22Å
340	N	46.1	Very low	33.2	Very low	29 Å²	29	90.9 Å²	90.9	16%	0.155	64%	0.635	C	S	.	*	P	Polyproline II helix	trans	-56.1	139.5	173.4	-74.3	-3.7	0	0	0	110.8	S28 D137 K139 L161 T185	S28-N340 VanDerWaalsContact CB-ND2 3.31Å; S28-N340 WeakPolarHBondContact CB-ND2 3.34Å; S28-N340 PolarHBondContact OG-ND2 3.33Å; D137-N340 PolarHBondContact OD2-ND2 3.48Å; D137-N340 PolarHBondContact OD2-OD1 3.48Å; K139-N340 PolarHBondContact NZ-OD1 3.41Å; L161-N340 HydrophobicContact CD1-CB 4.5Å; T185-N340 PolarHBondContact OG1-OD1 3.13Å
341	V	54	Low	33.3	Very low	12 Å²	12	92.8 Å²	92.8	7%	0.073	64%	0.638	C	S	.	*	B	Isolated β-bridge	trans	-99.7	124.1	-179.5	-174.4	0	0	0	0	110.3	L182 Y234	L182-V341 VanDerWaalsContact O-O 3.14Å; Y234-V341 HydrophobicContact CD2-CG2 4.5Å; Y234-V341 HydrophobicContact CE1-CG2 4.08Å; Y234-V341 HydrophobicContact CE2-CG1 4.41Å; Y234-V341 HydrophobicContact CE2-CG2 3.58Å; Y234-V341 WeakPolarHBondContact OH-CG2 3.38Å
342	E	42	Very low	33.6	Very low	81 Å²	81	92.1 Å²	92.1	38%	0.379	63%	0.634	S	S	.	*			trans	-127.3	116.5	151.2	-74.9	-169.3	160.6	0	0	107.1	L161	L161-E342 HydrophobicContact CD2-CG 4.3Å; L161-E342 WeakPolarHBondContact CD2-OE1 3.48Å
343	H	35.6	Very low	33.5	Very low	115 Å²	115	95 Å²	95	53%	0.532	63%	0.634	S	S	.	*			trans	-87.5	132.6	163	-84.6	55	0	0	0	108.3	N181 G345	N181-H343 HydrophobicContact CB-CB 3.86Å; N181-H343 VanDerWaalsContact CG-CB 3.42Å; N181-H343 VanDerWaalsContact ND2-CB 3.31Å; N181-H343 WeakPolarHBondContact ND2-CB 3.22Å; N181-H343 PolarHBondContact ND2-O 2.68Å; H343-G345 PolarHBondContact O-N 3.45Å
344	S	29.2	Very low	33.7	Very low	110 Å²	110	96.1 Å²	96.1	77%	0.769	63%	0.63	S	S	*	*			trans	-43.1	123.5	176.2	49.5	0	0	0	0	112.6
345	G	26.7	Very low	34.1	Very low	61 Å²	61	97.5 Å²	97.5	63%	0.629	63%	0.632	S	S	*	*			trans	-147.3	125	164.8	0	0	0	0	0	108.4	H343 A347	H343-G345 PolarHBondContact O-N 3.45Å; G345-A347 PolarHBondContact O-N 3.09Å
346	N	24.5	Very low	34.2	Very low	164 Å²	164	102.5 Å²	102.5	88%	0.877	64%	0.643	S	S	*	*			trans	-42.7	101.5	179.7	-88.4	-18.6	0	0	0	111.9	T348	N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 PolarHBondContact O-N 3.21Å; N346-T348 VanDerWaalsContact O-N 3.13Å
347	A	30.2	Very low	34	Very low	96 Å²	96	99.8 Å²	99.8	79%	0.793	65%	0.649	S	S	*	*			trans	-79.2	87	160.3	0	0	0	0	0	106.9	G345 A349	G345-A347 PolarHBondContact O-N 3.09Å; A347-A349 VanDerWaalsContact C-N 3.29Å; A347-A349 PolarHBondContact O-N 3.2Å
348	T	27.3	Very low	33.9	Very low	131 Å²	131	107.9 Å²	107.9	80%	0.804	66%	0.655	S	S	*	*			trans	-58.3	103.1	155.7	41.1	0	0	0	0	106.6	N346 G350	N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 PolarHBondContact O-N 3.21Å; N346-T348 VanDerWaalsContact O-N 3.13Å; T348-G350 PolarHBondContact O-N 3.47Å
349	A	32.6	Very low	33.9	Very low	92 Å²	92	112.1 Å²	112.1	76%	0.76	68%	0.684	S	S	*	*			trans	-59	100.9	169.4	0	0	0	0	0	107.6	A347 S351	A347-A349 VanDerWaalsContact C-N 3.29Å; A347-A349 PolarHBondContact O-N 3.2Å; A349-S351 VanDerWaalsContact C-N 3.28Å; A349-S351 PolarHBondContact O-N 3.43Å
350	G	29	Very low	33.9	Very low	70 Å²	70	116.3 Å²	116.3	72%	0.722	73%	0.734	S	S	*	*			trans	-65	94.6	164.2	0	0	0	0	0	107.8	T348 T352	T348-G350 PolarHBondContact O-N 3.47Å; G350-T352 VanDerWaalsContact C-N 3.35Å; G350-T352 PolarHBondContact O-N 3.39Å
351	S	28	Very low	33.3	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	76%	0.763	S	S	*	*			trans	-67.9	89.3	170.7	45.3	0	0	0	0	109.2	A349 Q353	A349-S351 VanDerWaalsContact C-N 3.28Å; A349-S351 PolarHBondContact O-N 3.43Å; S351-Q353 PolarHBondContact O-N 3.28Å
352	T	31.1	Very low	32.2	Very low	129 Å²	129	126.4 Å²	126.4	79%	0.791	80%	0.799	S	S	*	*			trans	-85.7	87.8	159.4	-32	0	0	0	0	107.2	G350 V354	G350-T352 VanDerWaalsContact C-N 3.35Å; G350-T352 PolarHBondContact O-N 3.39Å; T352-V354 PolarHBondContact O-N 3.25Å
353	Q	26.7	Very low	31.7	Very low	181 Å²	181	128.9 Å²	128.9	85%	0.846	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-63.8	119	166.3	-75	-177.2	-8.8	0	0	108.1	S351	S351-Q353 PolarHBondContact O-N 3.28Å
354	V	33.4	Very low	31.5	Very low	122 Å²	122	129.8 Å²	129.8	74%	0.739	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-103.4	122.7	165.4	-174.1	0	0	0	0	106.3	T352	T352-V354 PolarHBondContact O-N 3.25Å
355	P	33.3	Very low	31.6	Very low	118 Å²	118	131 Å²	131	77%	0.766	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-79.3	135.2	-168.5	30.1	-31.4	0	0	0	111.3	G357	P355-G357 PolarHBondContact O-N 3.49Å
356	F	35	Very low	31.9	Very low	214 Å²	214	135.7 Å²	135.7	94%	0.939	86%	0.858	S	S	*	*			trans	-67.1	109.7	167.4	-97.1	-96.7	0	0	0	109.1	R358	F356-R358 PolarHBondContact O-N 3.32Å
357	G	31.6	Very low	32.5	Very low	70 Å²	70	133.6 Å²	133.6	72%	0.722	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-68.5	124.8	168.2	0	0	0	0	0	110.4	P355	P355-G357 PolarHBondContact O-N 3.49Å
358	R	28.9	Very low	32.6	Very low	251 Å²	251	136.5 Å²	136.5	95%	0.947	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-68.3	126	163.8	-71.7	177	172.3	-178.9	-3.6	108.6	F356	F356-R358 PolarHBondContact O-N 3.32Å
359	T	43.3	Very low	33.1	Very low	139 Å²	139	137 Å²	137	85%	0.853	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-95.1	128.7	155.4	48.6	0	0	0	0	107.1
360	G	44.1	Very low	33.1	Very low	154 Å²	154	141.1 Å²	141.1	100%	1.588	88%	0.876	S	S	*	*			trans	-66.6	0	-172.9	0	0	0	0	0	115.2

Retrieved 360 of 360 residues in 250.1 ms (Link to these results)

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