A0A096NXF1_PAPAN Loading...

Sec1 family domain-containing protein 1

Plays a role in SNARE-pin assembly and Golgi-to-ER retrograde transport via its interaction with COG4. Involved in vesicular transport between the endoplasmic reticulum and the Golgi.

AlphaFold DB (A0A0D9RT98), UniProt , Accession A0A096NXF1, Species PAPAN (Papio anubis, Olive baboon), Gene SCFD1, Length 641 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	31	Very low	32.4	Very low	251 Å²	251	114 Å²	114	100%	1.236	83%	0.825	S	S	*	*				0	48.6	0	-75.1	-157.3	-90.5	0	0	112.2
2	A	27	Very low	36.4	Very low	100 Å²	100	107.4 Å²	107.4	83%	0.826	78%	0.781	S	S	*	*			trans	-143.4	19.6	177	0	0	0	0	0	112.7
3	S	26.5	Very low	40.6	Very low	123 Å²	123	100.8 Å²	100.8	86%	0.86	73%	0.733	S	S	*	*	S	Bend	trans	-119.5	14	-177.9	74	0	0	0	0	113.9
4	A	26.3	Very low	44.4	Very low	94 Å²	94	93.9 Å²	93.9	78%	0.777	68%	0.682	S	S	*	*	S	Bend	trans	-114.7	-2.9	178.6	0	0	0	0	0	113.7
5	A	26	Very low	47.7	Very low	102 Å²	102	88.5 Å²	88.5	84%	0.843	64%	0.639	S	S	*	*	S	Bend	trans	-97.3	5.1	-177	0	0	0	0	0	114.3
6	A	24.5	Very low	50.6	Low	96 Å²	96	89.6 Å²	89.6	79%	0.793	63%	0.63	S	S	*	*			trans	-119.7	34.7	177.9	0	0	0	0	0	111.9	T8	A6-T8 PolarHBondContact O-N 3.21Å
7	A	27.2	Very low	53.1	Low	85 Å²	85	86.8 Å²	86.8	70%	0.702	60%	0.602	S	S	*	*	S	Bend	trans	-67.5	113.6	155.8	0	0	0	0	0	106.2	A9	A7-A9 PolarHBondContact O-N 3.16Å; A7-A9 VanDerWaalsContact O-N 3.09Å
8	T	30.5	Very low	55.5	Low	136 Å²	136	81.9 Å²	81.9	83%	0.834	57%	0.569	S	S	*	*			trans	-31.6	113.2	172.4	-12	0	0	0	0	110	A6 A10	A6-T8 PolarHBondContact O-N 3.21Å; T8-A10 PolarHBondContact O-N 3.11Å
9	A	30	Very low	57.6	Low	98 Å²	98	78.7 Å²	78.7	81%	0.81	55%	0.546	S	S	*	.			trans	-58.4	105.3	169.4	0	0	0	0	0	106.5	A7 A11	A7-A9 PolarHBondContact O-N 3.16Å; A7-A9 VanDerWaalsContact O-N 3.09Å; A9-A11 PolarHBondContact O-N 3.48Å
10	A	43.9	Very low	59.4	Low	95 Å²	95	79.1 Å²	79.1	79%	0.785	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-55	129.8	177.3	0	0	0	0	0	107.7	T8 A12	T8-A10 PolarHBondContact O-N 3.11Å; A10-A12 PolarHBondContact O-N 3.03Å
11	A	63.3	Low	61.1	Low	74 Å²	74	76.5 Å²	76.5	61%	0.612	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57	129.9	174.6	0	0	0	0	0	108.4	A9 S13	A9-A11 PolarHBondContact O-N 3.48Å; A11-S13 PolarHBondContact O-N 3.47Å
12	A	80.2	Confident	64.2	Low	35 Å²	35	64.5 Å²	64.5	29%	0.289	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-53.5	132.7	179.7	0	0	0	0	0	110.8	A10 E16 R17	A10-A12 PolarHBondContact O-N 3.03Å; A12-E16 WeakPolarHBondContact CA-OE2 3.13Å; A12-E16 HydrophobicContact CB-CB 4.41Å; A12-E16 HydrophobicContact CB-CG 4.32Å; A12-E16 VanDerWaalsContact CB-OE2 3.3Å; A12-E16 WeakPolarHBondContact CB-OE2 3.04Å; A12-R17 HydrophobicContact CB-CG 4.21Å; A12-R17 PolarHBondContact O-NE 3.3Å
13	S	91.6	Very high	67.4	Low	22 Å²	22	62.1 Å²	62.1	15%	0.154	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-62.2	160.8	-179.7	77.9	0	0	0	0	111.1	A11 R15 E16 R17 D157	A11-S13 PolarHBondContact O-N 3.47Å; S13-R15 PolarHBondContact O-N 3.2Å; S13-E16 PolarHBondContact O-N 2.82Å; S13-E16 WeakPolarHBondContact OG-CB 3.5Å; S13-E16 PolarHBondContact OG-N 2.96Å; S13-R17 WeakPolarHBondContact O-CG 3.32Å; S13-R17 PolarHBondContact O-N 2.89Å; S13-D157 WeakPolarHBondContact CB-O 3.46Å; S13-D157 PolarHBondContact OG-OD1 3.42Å
14	I	93	Very high	70.6	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-62.2	-36	177	-175.1	64.7	0	0	0	110.9	R17 Q18 F152 T154 D157 F199 T202 L203 L619	I14-R17 PolarHBondContact O-N 2.72Å; I14-Q18 WeakPolarHBondContact O-CB 3.49Å; I14-Q18 PolarHBondContact O-N 2.98Å; I14-F152 HydrophobicContact CD1-CE2 4.37Å; I14-F152 HydrophobicContact CD1-CZ 4.36Å; I14-F152 HydrophobicContact CG1-CE2 4.07Å; I14-T154 HydrophobicContact CB-CG2 4.5Å; I14-T154 HydrophobicContact CG1-CG2 4.06Å; I14-T154 HydrophobicContact CG2-CG2 3.84Å; I14-D157 WeakPolarHBondContact CG2-O 3.16Å; I14-D157 PolarHBondContact N-O 2.89Å; I14-F199 HydrophobicContact CB-CE2 4.41Å; I14-F199 HydrophobicContact CD1-CD2 4.19Å; I14-F199 HydrophobicContact CD1-CE2 3.97Å; I14-F199 HydrophobicContact CG1-CD2 4.07Å; I14-F199 HydrophobicContact CG1-CE2 3.64Å; I14-F199 HydrophobicContact CG1-CZ 4.46Å; I14-T202 HydrophobicContact CD1-CG2 4.15Å; I14-L203 HydrophobicContact CD1-CB 4.21Å; I14-L203 HydrophobicContact CD1-CD1 4.31Å; I14-L619 HydrophobicContact CB-CD1 3.87Å; I14-L619 HydrophobicContact CG2-CD1 3.58Å; I14-L619 HydrophobicContact CG2-CG 4.36Å
15	R	94.8	Very high	73.9	Confident	13 Å²	13	56.4 Å²	56.4	5%	0.049	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-45.2	175.7	-173.2	-171.6	-169.7	137.2	9	111.7	S13 Q18 T19 P57 L58 L155 P320	S13-R15 PolarHBondContact O-N 3.2Å; R15-Q18 PolarHBondContact O-N 3.45Å; R15-T19 VanDerWaalsContact O-CB 3.32Å; R15-T19 WeakPolarHBondContact O-CB 3.42Å; R15-T19 PolarHBondContact O-N 2.77Å; R15-T19 PolarHBondContact O-OG1 2.81Å; R15-P57 PolarHBondContact NH2-O 3.35Å; R15-L58 HydrophobicContact CG-CD2 3.54Å; R15-L155 PolarHBondContact NH1-O 3.37Å; R15-P320 VanDerWaalsContact NH1-CG 3.26Å; R15-P320 VanDerWaalsContact NH2-CD 3.31Å
16	E	93.8	Very high	77.2	Confident	106 Å²	106	51.5 Å²	51.5	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-45	176.3	-174.8	176.8	-167.1	0	0	111	A12 S13 Q18 T19 V20	A12-E16 WeakPolarHBondContact CA-OE2 3.13Å; A12-E16 HydrophobicContact CB-CB 4.41Å; A12-E16 HydrophobicContact CB-CG 4.32Å; A12-E16 VanDerWaalsContact CB-OE2 3.3Å; A12-E16 WeakPolarHBondContact CB-OE2 3.04Å; S13-E16 PolarHBondContact O-N 2.82Å; S13-E16 WeakPolarHBondContact OG-CB 3.5Å; S13-E16 PolarHBondContact OG-N 2.96Å; E16-Q18 PolarHBondContact O-N 3.44Å; E16-T19 PolarHBondContact O-N 3.32Å; E16-V20 HydrophobicContact CG-CG2 4.45Å; E16-V20 WeakPolarHBondContact O-CB 3.27Å; E16-V20 VanDerWaalsContact O-CG2 3.3Å; E16-V20 WeakPolarHBondContact O-CG2 3.41Å; E16-V20 PolarHBondContact O-N 3.49Å
17	R	93.6	Very high	80.5	Confident	41 Å²	41	49 Å²	49	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-45.9	176.7	-68.2	174.5	-169.3	-115.5	0.2	111.9	A12 S13 I14 V20 A21 T202 L203	A12-R17 HydrophobicContact CB-CG 4.21Å; A12-R17 PolarHBondContact O-NE 3.3Å; S13-R17 WeakPolarHBondContact O-CG 3.32Å; S13-R17 PolarHBondContact O-N 2.89Å; I14-R17 PolarHBondContact O-N 2.72Å; R17-V20 PolarHBondContact O-N 3.4Å; R17-A21 PolarHBondContact O-N 2.89Å; R17-T202 HydrophobicContact CB-CG2 4.12Å; R17-L203 PolarHBondContact NH1-O 3.21Å
18	Q	95.6	Very high	83.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-43.8	176.3	-171	173.6	31	0	0	111.5	I14 R15 E16 V20 A21 L22 L58 L150 F152 T154	I14-Q18 WeakPolarHBondContact O-CB 3.49Å; I14-Q18 PolarHBondContact O-N 2.98Å; R15-Q18 PolarHBondContact O-N 3.45Å; E16-Q18 PolarHBondContact O-N 3.44Å; Q18-V20 VanDerWaalsContact C-N 3.35Å; Q18-V20 PolarHBondContact O-N 2.86Å; Q18-A21 PolarHBondContact O-N 3.49Å; Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.23Å; Q18-L58 HydrophobicContact CB-CD1 4.22Å; Q18-L58 HydrophobicContact CG-CD1 3.68Å; Q18-L150 HydrophobicContact CG-CD2 4.25Å; Q18-F152 HydrophobicContact CB-CE2 4.31Å; Q18-F152 HydrophobicContact CB-CZ 4.37Å; Q18-F152 HydrophobicContact CG-CE2 4.22Å; Q18-F152 HydrophobicContact CG-CZ 4.23Å; Q18-F152 PolarHBondContact NE2-O 2.86Å; Q18-T154 VanDerWaalsContact OE1-CG2 3.24Å; Q18-T154 PolarHBondContact OE1-OG1 2.83Å
19	T	95.4	Very high	86.7	Confident	21 Å²	21	40.2 Å²	40.2	13%	0.129	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-43.2	177	-58.3	0	0	0	0	111.2	R15 E16 L22 K23 L59	R15-T19 VanDerWaalsContact O-CB 3.32Å; R15-T19 WeakPolarHBondContact O-CB 3.42Å; R15-T19 PolarHBondContact O-N 2.77Å; R15-T19 PolarHBondContact O-OG1 2.81Å; E16-T19 PolarHBondContact O-N 3.32Å; T19-L22 PolarHBondContact O-N 3.26Å; T19-K23 HydrophobicContact CG2-CD 4.19Å; T19-K23 HydrophobicContact CG2-CG 4.43Å; T19-K23 WeakPolarHBondContact O-CB 3.43Å; T19-K23 VanDerWaalsContact O-CG 3.3Å; T19-K23 WeakPolarHBondContact O-CG 3.41Å; T19-K23 PolarHBondContact O-N 3.38Å; T19-L59 HydrophobicContact CG2-CD2 4.02Å
20	V	94.1	Very high	89.5	Confident	86 Å²	86	38.9 Å²	38.9	52%	0.521	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-41.5	176.6	168.7	0	0	0	0	111.3	E16 R17 Q18 K23 R24	E16-V20 HydrophobicContact CG-CG2 4.45Å; E16-V20 WeakPolarHBondContact O-CB 3.27Å; E16-V20 VanDerWaalsContact O-CG2 3.3Å; E16-V20 WeakPolarHBondContact O-CG2 3.41Å; E16-V20 PolarHBondContact O-N 3.49Å; R17-V20 PolarHBondContact O-N 3.4Å; Q18-V20 VanDerWaalsContact C-N 3.35Å; Q18-V20 PolarHBondContact O-N 2.86Å; V20-K23 PolarHBondContact O-N 3.42Å; V20-R24 WeakPolarHBondContact O-CB 3.48Å; V20-R24 PolarHBondContact O-N 2.87Å
21	A	94.3	Very high	91.3	Very high	24 Å²	24	38.3 Å²	38.3	20%	0.198	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-45.5	176	0	0	0	0	0	111.9	R17 Q18 R24 M25 L150	R17-A21 PolarHBondContact O-N 2.89Å; Q18-A21 PolarHBondContact O-N 3.49Å; A21-R24 WeakPolarHBondContact O-CB 3.4Å; A21-R24 PolarHBondContact O-N 3.37Å; A21-M25 PolarHBondContact O-N 3.48Å; A21-L150 HydrophobicContact CB-CD1 4.16Å; A21-L150 HydrophobicContact CB-CD2 3.75Å
22	L	96.1	Very high	91.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-44.8	173.7	-71.7	174.1	0	0	0	111.8	Q18 T19 R24 M25 L26 I54 I55 L58 L59 F90 L150	Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.23Å; T19-L22 PolarHBondContact O-N 3.26Å; L22-R24 VanDerWaalsContact C-N 3.29Å; L22-R24 PolarHBondContact O-N 3.41Å; L22-M25 HydrophobicContact CD2-CE 3.68Å; L22-M25 WeakPolarHBondContact O-CB 3.43Å; L22-M25 PolarHBondContact O-N 3.01Å; L22-M25 VanDerWaalsContact O-N 3.14Å; L22-L26 WeakPolarHBondContact O-CG 3.48Å; L22-L26 PolarHBondContact O-N 2.94Å; L22-I54 HydrophobicContact CD1-CG2 4.24Å; L22-I54 HydrophobicContact CD2-CG2 4.36Å; L22-I55 HydrophobicContact CD1-CG1 4.24Å; L22-I55 HydrophobicContact CD2-CG1 4.1Å; L22-L58 HydrophobicContact CD1-CB 4.28Å; L22-L58 HydrophobicContact CD1-CD1 3.58Å; L22-L59 HydrophobicContact CB-CD1 4.25Å; L22-F90 HydrophobicContact CD2-CE1 3.93Å; L22-F90 HydrophobicContact CD2-CE2 4.37Å; L22-F90 HydrophobicContact CD2-CZ 3.79Å; L22-L150 HydrophobicContact CD2-CD1 3.55Å; L22-L150 HydrophobicContact CG-CD1 3.95Å
23	K	94.6	Very high	91.3	Very high	50 Å²	50	43 Å²	43	22%	0.217	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-37.4	178.8	-71.8	-173.9	179	-175.5	0	111.7	T19 V20 N27 L59 E63 M67	T19-K23 HydrophobicContact CG2-CD 4.19Å; T19-K23 HydrophobicContact CG2-CG 4.43Å; T19-K23 WeakPolarHBondContact O-CB 3.43Å; T19-K23 VanDerWaalsContact O-CG 3.3Å; T19-K23 WeakPolarHBondContact O-CG 3.41Å; T19-K23 PolarHBondContact O-N 3.38Å; V20-K23 PolarHBondContact O-N 3.42Å; K23-N27 VanDerWaalsContact O-CB 3.29Å; K23-N27 WeakPolarHBondContact O-CB 3.28Å; K23-N27 PolarHBondContact O-N 3.32Å; K23-N27 VanDerWaalsContact O-N 3.09Å; K23-L59 HydrophobicContact CD-CD2 4.32Å; K23-L59 HydrophobicContact CG-CD2 4.06Å; K23-E63 IonicContact NZ-OE1 2.99Å; K23-E63 PolarHBondContact NZ-OE1 2.99Å; K23-M67 HydrophobicContact CB-CE 3.93Å; K23-M67 HydrophobicContact CB-SD 4.27Å; K23-M67 HydrophobicContact CD-SD 4.31Å; K23-M67 HydrophobicContact CG-CE 4.11Å; K23-M67 HydrophobicContact CG-SD 3.77Å; K23-M67 VanDerWaalsContact O-CE 3.28Å; K23-M67 WeakPolarHBondContact O-CE 3.4Å
24	R	94	Very high	89.8	Confident	96 Å²	96	51.1 Å²	51.1	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-45.4	172.1	179.6	-178.2	177.2	-179.4	0.4	111.4	V20 A21 L22 N27 N29	V20-R24 WeakPolarHBondContact O-CB 3.48Å; V20-R24 PolarHBondContact O-N 2.87Å; A21-R24 WeakPolarHBondContact O-CB 3.4Å; A21-R24 PolarHBondContact O-N 3.37Å; L22-R24 VanDerWaalsContact C-N 3.29Å; L22-R24 PolarHBondContact O-N 3.41Å; R24-N27 CarbonylContact O-C 3.52Å; R24-N27 WeakPolarHBondContact O-CA 3.33Å; R24-N27 PolarHBondContact O-N 3.14Å; R24-N29 PolarHBondContact NE-O 2.83Å; R24-N29 VanDerWaalsContact NE-O 3.1Å; R24-N29 CarbonylContact O-C 3.55Å; R24-N29 WeakPolarHBondContact O-CA 3.47Å; R24-N29 PolarHBondContact O-N 3.36Å
25	M	95.8	Very high	87.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-50	178.2	175.2	-89.9	-67.7	0	0	111.8	A21 L22 N27 F28 N29 V88 F90 N116 Q148	A21-M25 PolarHBondContact O-N 3.48Å; L22-M25 HydrophobicContact CD2-CE 3.68Å; L22-M25 WeakPolarHBondContact O-CB 3.43Å; L22-M25 PolarHBondContact O-N 3.01Å; L22-M25 VanDerWaalsContact O-N 3.14Å; M25-N27 PolarHBondContact O-N 3.41Å; M25-N27 VanDerWaalsContact O-N 3.16Å; M25-F28 PolarHBondContact O-N 3.31Å; M25-N29 PolarHBondContact O-N 3.04Å; M25-V88 HydrophobicContact SD-CG1 3.53Å; M25-V88 VanDerWaalsContact SD-CG1 3.53Å; M25-F90 HydrophobicContact CE-CB 3.86Å; M25-F90 HydrophobicContact CE-CD1 4.07Å; M25-F90 HydrophobicContact CE-CD2 3.66Å; M25-F90 HydrophobicContact CE-CE2 4.16Å; M25-F90 HydrophobicContact CE-CG 3.59Å; M25-F90 HydrophobicContact SD-CB 4.23Å; M25-F90 HydrophobicContact SD-CD2 4.48Å; M25-F90 HydrophobicContact SD-CG 4.5Å; M25-N116 HydrophobicContact CG-CB 3.83Å; M25-N116 VanDerWaalsContact CG-CG 3.45Å; M25-N116 WeakPolarHBondContact CG-OD1 3.37Å; M25-N116 HydrophobicContact SD-CB 4.4Å; M25-Q148 HydrophobicContact CG-CG 4.24Å
26	L	95.4	Very high	85.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-22.6	176.5	-65.7	173.2	0	0	0	112.6	L22 F28 K43 L45 L59 L64 M67 I69	L22-L26 WeakPolarHBondContact O-CG 3.48Å; L22-L26 PolarHBondContact O-N 2.94Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 2.96Å; L26-K43 WeakPolarHBondContact O-CD 3.36Å; L26-K43 WeakPolarHBondContact O-CE 3.33Å; L26-K43 PolarHBondContact O-NZ 2.94Å; L26-L45 HydrophobicContact CD2-CD1 3.8Å; L26-L45 HydrophobicContact CD2-CD2 4.07Å; L26-L45 HydrophobicContact CD2-CG 4.45Å; L26-L59 HydrophobicContact CD1-CD1 3.5Å; L26-L64 HydrophobicContact CD1-CD2 3.7Å; L26-M67 HydrophobicContact CB-CE 3.65Å; L26-M67 HydrophobicContact CD1-CE 4.25Å; L26-M67 HydrophobicContact CD1-SD 4.15Å; L26-I69 HydrophobicContact CD2-CD1 4.14Å; L26-I69 HydrophobicContact CD2-CG1 4.49Å
27	N	93.6	Very high	83.8	Confident	44 Å²	44	63.4 Å²	63.4	24%	0.235	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	39.9	171.9	-165.1	45.7	0	0	0	112.7	K23 R24 M25 N29 V30 P31	K23-N27 VanDerWaalsContact O-CB 3.29Å; K23-N27 WeakPolarHBondContact O-CB 3.28Å; K23-N27 PolarHBondContact O-N 3.32Å; K23-N27 VanDerWaalsContact O-N 3.09Å; R24-N27 CarbonylContact O-C 3.52Å; R24-N27 WeakPolarHBondContact O-CA 3.33Å; R24-N27 PolarHBondContact O-N 3.14Å; M25-N27 PolarHBondContact O-N 3.41Å; M25-N27 VanDerWaalsContact O-N 3.16Å; N27-N29 PolarHBondContact O-N 3.04Å; N27-N29 VanDerWaalsContact O-N 3.17Å; N27-V30 PolarHBondContact ND2-O 2.86Å; N27-V30 WeakPolarHBondContact O-CB 3.32Å; N27-V30 PolarHBondContact O-N 2.85Å; N27-P31 PolarHBondContact ND2-O 3.43Å
28	F	94.3	Very high	82.1	Confident	26 Å²	26	63.7 Å²	63.7	11%	0.114	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.9	177.6	-53.6	-58.6	0	0	0	114	M25 L26 V30 V41 K43 P86 V88 Y114 K144	M25-F28 PolarHBondContact O-N 3.31Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 2.96Å; F28-V30 PolarHBondContact O-N 3.38Å; F28-V41 HydrophobicContact CE2-CB 4.05Å; F28-V41 HydrophobicContact CE2-CG1 3.97Å; F28-V41 HydrophobicContact CZ-CG1 4.14Å; F28-K43 HydrophobicContact CE1-CB 4.39Å; F28-K43 HydrophobicContact CE1-CD 3.88Å; F28-K43 HydrophobicContact CE2-CD 4.35Å; F28-K43 HydrophobicContact CZ-CB 4.08Å; F28-K43 HydrophobicContact CZ-CD 3.71Å; F28-P86 HydrophobicContact CE1-CB 4.1Å; F28-P86 HydrophobicContact CZ-CB 4.11Å; F28-V88 HydrophobicContact CD1-CG2 4.01Å; F28-V88 HydrophobicContact CE1-CG2 3.83Å; F28-Y114 HydrophobicContact CB-CD1 4.05Å; F28-Y114 HydrophobicContact CB-CE1 3.68Å; F28-Y114 AromaticContact CD1-CD1 3.59Å; F28-Y114 HydrophobicContact CD1-CD1 3.59Å; F28-Y114 AromaticContact CD1-CD2 3.66Å; F28-Y114 HydrophobicContact CD1-CD2 3.66Å; F28-Y114 AromaticContact CD1-CE1 3.48Å; F28-Y114 HydrophobicContact CD1-CE1 3.48Å; F28-Y114 VanDerWaalsContact CD1-CE1 3.48Å; F28-Y114 AromaticContact CD1-CE2 3.53Å; F28-Y114 HydrophobicContact CD1-CE2 3.53Å; F28-Y114 AromaticContact CD1-CG 3.69Å; F28-Y114 HydrophobicContact CD1-CG 3.69Å; F28-Y114 AromaticContact CD1-CZ 3.44Å; F28-Y114 VanDerWaalsContact CD1-CZ 3.44Å; F28-Y114 HydrophobicContact CE1-CD1 4.48Å; F28-Y114 AromaticContact CE1-CD2 3.72Å; F28-Y114 HydrophobicContact CE1-CD2 3.72Å; F28-Y114 HydrophobicContact CE1-CE1 4.32Å; F28-Y114 AromaticContact CE1-CE2 3.52Å; F28-Y114 HydrophobicContact CE1-CE2 3.52Å; F28-Y114 HydrophobicContact CE1-CG 4.21Å; F28-Y114 AromaticContact CE1-CZ 3.84Å; F28-Y114 HydrophobicContact CG-CD1 4.24Å; F28-Y114 AromaticContact CG-CE1 3.83Å; F28-Y114 HydrophobicContact CG-CE1 3.83Å; F28-Y114 HydrophobicContact CG-CE2 4.45Å; F28-Y114 AromaticContact CG-CZ 3.94Å; F28-Y114 HydrophobicContact CZ-CE2 4.44Å; F28-K144 PolarHBondContact O-NZ 3.1Å
29	N	92.7	Very high	80.6	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.048	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	16.7	-176	-49.6	97.7	0	0	0	115.3	R24 M25 N27 N116 F146 Q148	R24-N29 PolarHBondContact NE-O 2.83Å; R24-N29 VanDerWaalsContact NE-O 3.1Å; R24-N29 CarbonylContact O-C 3.55Å; R24-N29 WeakPolarHBondContact O-CA 3.47Å; R24-N29 PolarHBondContact O-N 3.36Å; M25-N29 PolarHBondContact O-N 3.04Å; N27-N29 PolarHBondContact O-N 3.04Å; N27-N29 VanDerWaalsContact O-N 3.17Å; N29-N116 PolarHBondContact ND2-OD1 2.99Å; N29-N116 PolarHBondContact OD1-OD1 3.27Å; N29-F146 HydrophobicContact CB-CD1 4.42Å; N29-F146 HydrophobicContact CB-CD2 4.27Å; N29-F146 HydrophobicContact CB-CE1 4.11Å; N29-F146 HydrophobicContact CB-CE2 4.01Å; N29-F146 HydrophobicContact CB-CZ 3.9Å; N29-F146 WeakPolarHBondContact OD1-CD2 3.48Å; N29-Q148 PolarHBondContact ND2-NE2 3.2Å
30	V	89.5	Confident	79.4	Confident	71 Å²	71	74.2 Å²	74.2	43%	0.43	41%	0.407	S	S	.	.	S	Bend	trans	-97.2	139.1	175.5	-176.6	0	0	0	0	109.6	N27 F28 H32	N27-V30 PolarHBondContact ND2-O 2.86Å; N27-V30 WeakPolarHBondContact O-CB 3.32Å; N27-V30 PolarHBondContact O-N 2.85Å; F28-V30 PolarHBondContact O-N 3.38Å; V30-H32 PolarHBondContact O-N 2.69Å
31	P	82.7	Confident	79	Confident	82 Å²	82	74.2 Å²	74.2	53%	0.532	41%	0.407	S	S	.	.			trans	-50.8	130.6	175.3	-27.2	35.2	0	0	0	112	N27 I33	N27-P31 PolarHBondContact ND2-O 3.43Å; P31-I33 PolarHBondContact O-N 3.48Å
32	H	73.8	Confident	78.9	Confident	88 Å²	88	80.1 Å²	80.1	41%	0.407	42%	0.424	S	S	.	.			trans	-81.7	110.1	178.3	-176.8	68.8	0	0	0	109.8	V30	V30-H32 PolarHBondContact O-N 2.69Å
33	I	69.9	Low	78.8	Confident	120 Å²	120	80.3 Å²	80.3	62%	0.615	43%	0.425	S	S	*	.			trans	-94.8	112	178.5	-56.4	173.6	0	0	0	107.9	P31 N35 S36	P31-I33 PolarHBondContact O-N 3.48Å; I33-N35 PolarHBondContact O-N 3.25Å; I33-S36 PolarHBondContact O-N 2.84Å; I33-S36 VanDerWaalsContact O-N 3.15Å
34	K	60	Low	79	Confident	192 Å²	192	78 Å²	78	84%	0.835	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-10.7	-176.8	-71.5	-176.3	178.1	177.5	0	115.1
35	N	50.3	Low	79.2	Confident	144 Å²	144	73.4 Å²	73.4	77%	0.77	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	16.6	-176.6	-66.6	-6.3	0	0	0	113.9	I33 T37	I33-N35 PolarHBondContact O-N 3.25Å; N35-T37 PolarHBondContact O-N 2.83Å
36	S	51.3	Low	79.3	Confident	87 Å²	87	73.4 Å²	73.4	61%	0.608	40%	0.397	S	S	*	.			trans	-71.5	106.1	171.3	162.2	0	0	0	0	109.6	I33 G38	I33-S36 PolarHBondContact O-N 2.84Å; I33-S36 VanDerWaalsContact O-N 3.15Å; S36-G38 PolarHBondContact O-N 3.37Å; S36-G38 VanDerWaalsContact O-N 3.16Å; S36-G38 PolarHBondContact OG-N 3.44Å
37	T	53	Low	79.4	Confident	151 Å²	151	74.2 Å²	74.2	93%	0.926	40%	0.401	S	S	*	.			trans	-70.9	8.3	169.8	48.4	0	0	0	0	113.7	N35	N35-T37 PolarHBondContact O-N 2.83Å
38	G	58.7	Low	79.6	Confident	47 Å²	47	72.4 Å²	72.4	49%	0.485	39%	0.391	S	S	.	.	S	Bend	trans	-75.6	143	175.8	0	0	0	0	0	112.3	S36	S36-G38 PolarHBondContact O-N 3.37Å; S36-G38 VanDerWaalsContact O-N 3.16Å; S36-G38 PolarHBondContact OG-N 3.44Å
39	E	63.4	Low	79.8	Confident	183 Å²	183	77.3 Å²	77.3	86%	0.855	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-57.9	134.1	171.9	-69	-176.9	160.1	0	0	110.2	V41	E39-V41 PolarHBondContact O-N 2.86Å
40	P	70	Confident	79.9	Confident	59 Å²	59	79 Å²	79	38%	0.383	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-64.9	128.3	177.9	25.9	-32	0	0	0	109.7	W42	P40-W42 HydrophobicContact CG-CH2 4.22Å; P40-W42 HydrophobicContact CG-CZ2 4.49Å; P40-W42 HydrophobicContact CG-CZ3 4.45Å; P40-W42 PolarHBondContact O-N 3.15Å
41	V	85.1	Confident	80.3	Confident	85 Å²	85	75.6 Å²	75.6	52%	0.515	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-66.6	117.2	170.9	179.7	0	0	0	0	108.2	F28 E39 K43	F28-V41 HydrophobicContact CE2-CB 4.05Å; F28-V41 HydrophobicContact CE2-CG1 3.97Å; F28-V41 HydrophobicContact CZ-CG1 4.14Å; E39-V41 PolarHBondContact O-N 2.86Å; V41-K43 WeakPolarHBondContact O-CE 3.37Å
42	W	92.4	Very high	80.9	Confident	148 Å²	148	74.1 Å²	74.1	56%	0.561	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-65.4	134.2	176.9	-58.5	118.7	0	0	0	110.8	P40 G68 T70	P40-W42 HydrophobicContact CG-CH2 4.22Å; P40-W42 HydrophobicContact CG-CZ2 4.49Å; P40-W42 HydrophobicContact CG-CZ3 4.45Å; P40-W42 PolarHBondContact O-N 3.15Å; W42-G68 CarbonylContact C-O 3.58Å; W42-G68 WeakPolarHBondContact CA-O 3.44Å; W42-T70 HydrophobicContact CB-CG2 3.87Å; W42-T70 HydrophobicContact CD2-CG2 3.86Å; W42-T70 HydrophobicContact CE3-CG2 3.41Å; W42-T70 VanDerWaalsContact CE3-CG2 3.41Å; W42-T70 HydrophobicContact CG-CG2 4.07Å; W42-T70 HydrophobicContact CZ3-CG2 4.23Å
43	K	95.4	Very high	82	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.017	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.5	-177.9	73.6	-160.9	98.5	-169.9	0	111.4	L26 F28 V41 M67 G68 I69 T70 P86 V88	L26-K43 WeakPolarHBondContact O-CD 3.36Å; L26-K43 WeakPolarHBondContact O-CE 3.33Å; L26-K43 PolarHBondContact O-NZ 2.94Å; F28-K43 HydrophobicContact CE1-CB 4.39Å; F28-K43 HydrophobicContact CE1-CD 3.88Å; F28-K43 HydrophobicContact CE2-CD 4.35Å; F28-K43 HydrophobicContact CZ-CB 4.08Å; F28-K43 HydrophobicContact CZ-CD 3.71Å; V41-K43 WeakPolarHBondContact O-CE 3.37Å; K43-M67 WeakPolarHBondContact CE-O 3.44Å; K43-G68 PolarHBondContact N-O 3.43Å; K43-I69 HydrophobicContact CD-CD1 3.61Å; K43-I69 HydrophobicContact CG-CD1 3.34Å; K43-I69 WeakPolarHBondContact O-CA 3.35Å; K43-T70 PolarHBondContact O-N 3.4Å; K43-T70 PolarHBondContact O-OG1 3.04Å; K43-P86 CarbonylContact C-O 3.38Å; K43-P86 VanDerWaalsContact CA-O 3.29Å; K43-P86 WeakPolarHBondContact CA-O 3.41Å; K43-P86 HydrophobicContact CB-CB 4.42Å; K43-P86 WeakPolarHBondContact CB-O 3.36Å; K43-V88 HydrophobicContact CD-CG2 3.83Å; K43-V88 HydrophobicContact CG-CG2 4.35Å
44	V	97.4	Very high	83.3	Confident	1 Å²	1	65 Å²	65	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138	173.3	-175.8	0	0	0	0	109.5	I46 L71 L73 I82 V85 P86 A87 V88 Y110	V44-I46 HydrophobicContact CG1-CD1 3.58Å; V44-I46 HydrophobicContact CG1-CG1 4.31Å; V44-L71 HydrophobicContact CG1-CB 4.13Å; V44-L71 HydrophobicContact CG2-CB 4.44Å; V44-L73 HydrophobicContact CG1-CD1 4.36Å; V44-I82 HydrophobicContact CG2-CD1 4.17Å; V44-V85 HydrophobicContact CG2-CB 4.49Å; V44-V85 HydrophobicContact CG2-CG1 3.82Å; V44-P86 PolarHBondContact N-O 3.36Å; V44-A87 CarbonylContact O-C 3.53Å; V44-A87 WeakPolarHBondContact O-CA 3.49Å; V44-V88 PolarHBondContact O-N 3.41Å; V44-Y110 HydrophobicContact CB-CE1 4.33Å; V44-Y110 HydrophobicContact CG1-CE1 4.34Å; V44-Y110 HydrophobicContact CG2-CE1 4.32Å
45	L	98.4	Very high	85	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121	171.7	173.4	59.9	0	0	0	109.7	L26 Y47 I55 L64 I69 L71 H72 L73 V88 F90	L26-L45 HydrophobicContact CD2-CD1 3.8Å; L26-L45 HydrophobicContact CD2-CD2 4.07Å; L26-L45 HydrophobicContact CD2-CG 4.45Å; L45-Y47 HydrophobicContact CD1-CD1 4.33Å; L45-Y47 HydrophobicContact CD2-CD1 3.75Å; L45-Y47 HydrophobicContact CD2-CE1 3.9Å; L45-Y47 HydrophobicContact CG-CD1 3.73Å; L45-Y47 HydrophobicContact CG-CE1 4.2Å; L45-I55 HydrophobicContact CD2-CD1 4.01Å; L45-L64 HydrophobicContact CD2-CD2 4.34Å; L45-I69 HydrophobicContact CB-CD1 4.3Å; L45-I69 HydrophobicContact CB-CG2 3.65Å; L45-L71 PolarHBondContact N-O 3.47Å; L45-H72 HydrophobicContact CB-CB 4.13Å; L45-H72 HydrophobicContact CD2-CB 4.25Å; L45-H72 HydrophobicContact CG-CB 4.4Å; L45-H72 CarbonylContact O-C 3.47Å; L45-H72 VanDerWaalsContact O-CA 3.23Å; L45-H72 WeakPolarHBondContact O-CA 3.39Å; L45-L73 PolarHBondContact O-N 2.66Å; L45-V88 WeakPolarHBondContact CA-O 3.38Å; L45-F90 HydrophobicContact CD1-CB 4.46Å
46	I	98.6	Very high	87.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.2	174.1	-50.9	-58.2	0	0	0	108.2	V44 L73 L75 A87 V88 Y89 F90 Y110	V44-I46 HydrophobicContact CG1-CD1 3.58Å; V44-I46 HydrophobicContact CG1-CG1 4.31Å; I46-L73 WeakPolarHBondContact CA-O 3.39Å; I46-L73 HydrophobicContact CD1-CB 3.93Å; I46-L73 HydrophobicContact CD1-CD1 4.37Å; I46-L75 HydrophobicContact CG2-CB 4.13Å; I46-L75 HydrophobicContact CG2-CD1 3.74Å; I46-A87 HydrophobicContact CG1-CB 4.42Å; I46-V88 PolarHBondContact N-O 2.75Å; I46-Y89 HydrophobicContact CB-CD1 3.97Å; I46-Y89 HydrophobicContact CB-CD2 4.39Å; I46-Y89 HydrophobicContact CB-CE1 4.05Å; I46-Y89 HydrophobicContact CB-CE2 4.45Å; I46-Y89 HydrophobicContact CB-CG 4.14Å; I46-Y89 HydrophobicContact CG1-CD2 4.49Å; I46-Y89 HydrophobicContact CG1-CE1 4.38Å; I46-Y89 HydrophobicContact CG1-CE2 4.19Å; I46-Y89 HydrophobicContact CG2-CD1 3.88Å; I46-Y89 HydrophobicContact CG2-CE1 3.76Å; I46-Y89 CarbonylContact O-C 3.55Å; I46-Y89 VanDerWaalsContact O-CA 3.26Å; I46-Y89 WeakPolarHBondContact O-CA 3.17Å; I46-F90 PolarHBondContact O-N 3.46Å; I46-Y110 HydrophobicContact CD1-CE2 4.43Å; I46-Y110 VanDerWaalsContact CD1-OH 3.23Å; I46-Y110 WeakPolarHBondContact CD1-OH 3.33Å; I46-Y110 HydrophobicContact CG1-CE2 4.22Å
47	Y	98	Very high	89.1	Confident	17 Å²	17	48.3 Å²	48.3	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.9	176.3	52.4	-126.9	0	0	0	111.6	L45 Q52 I55 H72 L73 L74 L75 F90	L45-Y47 HydrophobicContact CD1-CD1 4.33Å; L45-Y47 HydrophobicContact CD2-CD1 3.75Å; L45-Y47 HydrophobicContact CD2-CE1 3.9Å; L45-Y47 HydrophobicContact CG-CD1 3.73Å; L45-Y47 HydrophobicContact CG-CE1 4.2Å; Y47-Q52 HydrophobicContact CD2-CB 3.78Å; Y47-Q52 HydrophobicContact CE2-CB 3.65Å; Y47-Q52 HydrophobicContact CE2-CG 3.88Å; Y47-Q52 HydrophobicContact CG-CB 4.46Å; Y47-I55 HydrophobicContact CD1-CD1 4.23Å; Y47-H72 HydrophobicContact CE1-CB 4Å; Y47-H72 PolarHBondContact OH-CD2 3.33Å; Y47-H72 VanDerWaalsContact OH-CD2 3.3Å; Y47-L73 PolarHBondContact N-O 2.67Å; Y47-L73 VanDerWaalsContact N-O 3.11Å; Y47-L74 HydrophobicContact CD2-CD2 3.89Å; Y47-L74 HydrophobicContact CE2-CD2 3.75Å; Y47-L74 HydrophobicContact CE2-CG 4.27Å; Y47-L74 CarbonylContact O-C 3.52Å; Y47-L74 VanDerWaalsContact O-CA 3.25Å; Y47-L74 WeakPolarHBondContact O-CA 3.41Å; Y47-L75 PolarHBondContact O-N 3.02Å; Y47-F90 VanDerWaalsContact CA-O 3.24Å; Y47-F90 WeakPolarHBondContact CA-O 3.04Å; Y47-F90 VanDerWaalsContact CB-O 3.28Å; Y47-F90 WeakPolarHBondContact CB-O 3.44Å
48	D	97.8	Very high	91.1	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	21%	0.214	C	C	.	.			trans	-88.7	-173.8	164.4	65.7	4.1	0	0	0	110.2	F50 G51 Q52 V91 M92 N97	D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 3.31Å; D48-F50 WeakPolarHBondContact OD1-CB 3.29Å; D48-F50 PolarHBondContact OD1-N 3.48Å; D48-F50 VanDerWaalsContact OD1-N 3.15Å; D48-G51 PolarHBondContact O-N 2.99Å; D48-G51 PolarHBondContact OD1-N 3.01Å; D48-Q52 WeakPolarHBondContact O-CB 3.42Å; D48-Q52 PolarHBondContact O-N 3.36Å; D48-V91 HydrophobicContact CB-CG1 4.42Å; D48-M92 WeakPolarHBondContact OD2-CB 3.39Å; D48-M92 PolarHBondContact OD2-N 3.49Å; D48-N97 PolarHBondContact OD2-ND2 3.04Å
49	R	96.6	Very high	92.7	Very high	128 Å²	128	39.9 Å²	39.9	48%	0.483	19%	0.193	S	C	.	.	H	α-helix	trans	-64.9	-31.3	178	-66.7	-65.3	-172	178.4	3.8	112.9	D53 L74 Q165	R49-D53 VanDerWaalsContact O-CG 3.24Å; R49-D53 PolarHBondContact O-N 3.33Å; R49-D53 VanDerWaalsContact O-N 3.08Å; R49-L74 HydrophobicContact CG-CD2 4.47Å; R49-L74 VanDerWaalsContact CZ-CD1 3.4Å; R49-Q165 HydrophobicContact CB-CG 3.75Å
50	F	96.3	Very high	94.1	Very high	44 Å²	44	33.7 Å²	33.7	19%	0.193	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-47.8	176.3	-66.8	-95.3	0	0	0	110.7	D48 Q52 D53 I54 M92 I118 Q165	D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 3.31Å; D48-F50 WeakPolarHBondContact OD1-CB 3.29Å; D48-F50 PolarHBondContact OD1-N 3.48Å; D48-F50 VanDerWaalsContact OD1-N 3.15Å; F50-Q52 VanDerWaalsContact C-N 3.3Å; F50-Q52 PolarHBondContact O-N 2.73Å; F50-D53 PolarHBondContact O-N 2.92Å; F50-I54 WeakPolarHBondContact O-CD1 3.43Å; F50-I54 WeakPolarHBondContact O-CG1 3.5Å; F50-I54 PolarHBondContact O-N 2.64Å; F50-I54 VanDerWaalsContact O-N 3.08Å; F50-M92 HydrophobicContact CB-CG 3.61Å; F50-M92 HydrophobicContact CD1-CG 4.03Å; F50-M92 HydrophobicContact CD2-CB 4.42Å; F50-M92 HydrophobicContact CD2-CG 3.75Å; F50-M92 HydrophobicContact CE2-CG 4.42Å; F50-M92 HydrophobicContact CG-CG 3.53Å; F50-I118 HydrophobicContact CB-CD1 3.84Å; F50-Q165 HydrophobicContact CD1-CB 3.79Å; F50-Q165 HydrophobicContact CD1-CG 4.27Å; F50-Q165 HydrophobicContact CD2-CB 4.27Å; F50-Q165 HydrophobicContact CD2-CG 4.34Å; F50-Q165 HydrophobicContact CE1-CB 3.47Å; F50-Q165 VanDerWaalsContact CE1-CB 3.47Å; F50-Q165 HydrophobicContact CE1-CG 4.4Å; F50-Q165 HydrophobicContact CE2-CB 3.97Å; F50-Q165 HydrophobicContact CE2-CG 4.44Å; F50-Q165 HydrophobicContact CG-CB 4.17Å; F50-Q165 HydrophobicContact CG-CG 4.24Å; F50-Q165 HydrophobicContact CZ-CB 3.56Å; F50-Q165 HydrophobicContact CZ-CG 4.46Å
51	G	97.1	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-37.7	176.6	0	0	0	0	0	112.5	D48 I54 I55	D48-G51 PolarHBondContact O-N 2.99Å; D48-G51 PolarHBondContact OD1-N 3.01Å; G51-I54 PolarHBondContact O-N 2.93Å; G51-I55 WeakPolarHBondContact O-CB 3.48Å; G51-I55 WeakPolarHBondContact O-CG1 3.33Å; G51-I55 PolarHBondContact O-N 2.67Å
52	Q	96.4	Very high	95.4	Very high	51 Å²	51	37.7 Å²	37.7	24%	0.238	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-48.3	172.8	-174.8	173.4	32.5	0	0	112	Y47 D48 F50 I54 I55 S56	Y47-Q52 HydrophobicContact CD2-CB 3.78Å; Y47-Q52 HydrophobicContact CE2-CB 3.65Å; Y47-Q52 HydrophobicContact CE2-CG 3.88Å; Y47-Q52 HydrophobicContact CG-CB 4.46Å; D48-Q52 WeakPolarHBondContact O-CB 3.42Å; D48-Q52 PolarHBondContact O-N 3.36Å; F50-Q52 VanDerWaalsContact C-N 3.3Å; F50-Q52 PolarHBondContact O-N 2.73Å; Q52-I54 VanDerWaalsContact C-N 3.28Å; Q52-I54 PolarHBondContact O-N 3.46Å; Q52-I55 PolarHBondContact O-N 3.49Å; Q52-S56 VanDerWaalsContact O-CB 3.29Å; Q52-S56 WeakPolarHBondContact O-CB 3.43Å; Q52-S56 PolarHBondContact O-N 3.39Å; Q52-S56 PolarHBondContact O-OG 3.1Å; Q52-S56 VanDerWaalsContact O-OG 3.11Å
53	D	95.9	Very high	95.3	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-29.5	-178.1	-71.3	-4.8	0	0	0	112.5	R49 F50 P57 I153 N164 Q165 L288	R49-D53 VanDerWaalsContact O-CG 3.24Å; R49-D53 PolarHBondContact O-N 3.33Å; R49-D53 VanDerWaalsContact O-N 3.08Å; F50-D53 PolarHBondContact O-N 2.92Å; D53-P57 WeakPolarHBondContact O-CD 3.35Å; D53-P57 WeakPolarHBondContact O-CG 3.23Å; D53-I153 HydrophobicContact CB-CD1 3.83Å; D53-N164 HydrophobicContact CB-CB 4.35Å; D53-N164 WeakPolarHBondContact OD2-CB 3.28Å; D53-N164 PolarHBondContact OD2-ND2 2.95Å; D53-Q165 VanDerWaalsContact OD2-CG 3.32Å; D53-Q165 WeakPolarHBondContact OD2-CG 3.38Å; D53-Q165 PolarHBondContact OD2-NE2 3.38Å; D53-L288 HydrophobicContact CB-CD1 3.94Å; D53-L288 WeakPolarHBondContact OD1-CD1 3.45Å
54	I	97.1	Very high	95.3	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-75.3	-41.5	174.9	-66.2	159.8	0	0	0	111.7	L22 F50 G51 Q52 P57 L58 F90 I118 L150 I153	L22-I54 HydrophobicContact CD1-CG2 4.24Å; L22-I54 HydrophobicContact CD2-CG2 4.36Å; F50-I54 WeakPolarHBondContact O-CD1 3.43Å; F50-I54 WeakPolarHBondContact O-CG1 3.5Å; F50-I54 PolarHBondContact O-N 2.64Å; F50-I54 VanDerWaalsContact O-N 3.08Å; G51-I54 PolarHBondContact O-N 2.93Å; Q52-I54 VanDerWaalsContact C-N 3.28Å; Q52-I54 PolarHBondContact O-N 3.46Å; I54-P57 WeakPolarHBondContact O-CD 3.34Å; I54-L58 WeakPolarHBondContact O-CD1 3.3Å; I54-F90 HydrophobicContact CB-CE1 4.11Å; I54-F90 HydrophobicContact CB-CZ 4.49Å; I54-F90 HydrophobicContact CD1-CE1 4.24Å; I54-F90 HydrophobicContact CD1-CZ 4.14Å; I54-F90 HydrophobicContact CG2-CE1 4.05Å; I54-F90 HydrophobicContact CG2-CZ 4.1Å; I54-I118 HydrophobicContact CD1-CD1 4.03Å; I54-I118 HydrophobicContact CD1-CG1 4.27Å; I54-I118 HydrophobicContact CD1-CG2 3.66Å; I54-L150 VanDerWaalsContact CD1-O 3.29Å; I54-L150 WeakPolarHBondContact CD1-O 3.49Å; I54-I153 HydrophobicContact CG1-CG1 3.94Å
55	I	95.8	Very high	95	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-76.8	-42.5	-175.8	-72.2	175.3	0	0	0	111.9	L22 L45 Y47 G51 Q52 L58 L59 L64 F90	L22-I55 HydrophobicContact CD1-CG1 4.24Å; L22-I55 HydrophobicContact CD2-CG1 4.1Å; L45-I55 HydrophobicContact CD2-CD1 4.01Å; Y47-I55 HydrophobicContact CD1-CD1 4.23Å; G51-I55 WeakPolarHBondContact O-CB 3.48Å; G51-I55 WeakPolarHBondContact O-CG1 3.33Å; G51-I55 PolarHBondContact O-N 2.67Å; Q52-I55 PolarHBondContact O-N 3.49Å; I55-L58 PolarHBondContact O-N 2.9Å; I55-L59 HydrophobicContact CG2-CB 4.19Å; I55-L59 HydrophobicContact CG2-CD1 4.34Å; I55-L59 PolarHBondContact O-N 2.73Å; I55-L64 HydrophobicContact CG2-CD1 4.43Å; I55-L64 HydrophobicContact CG2-CD2 4.32Å; I55-F90 HydrophobicContact CD1-CD1 3.68Å; I55-F90 HydrophobicContact CD1-CE1 4.16Å; I55-F90 HydrophobicContact CG1-CD1 4.11Å; I55-F90 HydrophobicContact CG1-CE1 4.06Å
56	S	93.6	Very high	94.7	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.3	-169.4	61.8	0	0	0	0	116.4	Q52 L58	Q52-S56 VanDerWaalsContact O-CB 3.29Å; Q52-S56 WeakPolarHBondContact O-CB 3.43Å; Q52-S56 PolarHBondContact O-N 3.39Å; Q52-S56 PolarHBondContact O-OG 3.1Å; Q52-S56 VanDerWaalsContact O-OG 3.11Å; S56-L58 VanDerWaalsContact C-N 3.3Å; S56-L58 PolarHBondContact O-N 3.33Å
57	P	93.8	Very high	94.3	Very high	14 Å²	14	46 Å²	46	9%	0.091	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.2	178.5	-2.7	21	0	0	0	112.8	R15 D53 I54 I153 L155 L288	R15-P57 PolarHBondContact NH2-O 3.35Å; D53-P57 WeakPolarHBondContact O-CD 3.35Å; D53-P57 WeakPolarHBondContact O-CG 3.23Å; I54-P57 WeakPolarHBondContact O-CD 3.34Å; P57-I153 HydrophobicContact CG-CG2 3.8Å; P57-L155 HydrophobicContact CB-CD2 4.16Å; P57-L155 HydrophobicContact CG-CD2 4.16Å; P57-L288 HydrophobicContact CG-CB 4.46Å; P57-L288 HydrophobicContact CG-CD2 4.48Å
58	L	94.3	Very high	94	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.073	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-32.3	-168.6	-58.8	-178.1	0	0	0	113.4	R15 Q18 L22 I54 I55 S56 T154	R15-L58 HydrophobicContact CG-CD2 3.54Å; Q18-L58 HydrophobicContact CB-CD1 4.22Å; Q18-L58 HydrophobicContact CG-CD1 3.68Å; L22-L58 HydrophobicContact CD1-CB 4.28Å; L22-L58 HydrophobicContact CD1-CD1 3.58Å; I54-L58 WeakPolarHBondContact O-CD1 3.3Å; I55-L58 PolarHBondContact O-N 2.9Å; S56-L58 VanDerWaalsContact C-N 3.3Å; S56-L58 PolarHBondContact O-N 3.33Å; L58-T154 WeakPolarHBondContact CD2-OG1 3.38Å
59	L	93.6	Very high	93.9	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.221	C	C	.	.			trans	-130.1	122.6	-176.2	-60.2	176.1	0	0	0	110.4	T19 L22 K23 L26 I55 L64	T19-L59 HydrophobicContact CG2-CD2 4.02Å; L22-L59 HydrophobicContact CB-CD1 4.25Å; K23-L59 HydrophobicContact CD-CD2 4.32Å; K23-L59 HydrophobicContact CG-CD2 4.06Å; L26-L59 HydrophobicContact CD1-CD1 3.5Å; I55-L59 HydrophobicContact CG2-CB 4.19Å; I55-L59 HydrophobicContact CG2-CD1 4.34Å; I55-L59 PolarHBondContact O-N 2.73Å; L59-L64 HydrophobicContact CB-CD2 4.12Å; L59-L64 HydrophobicContact CB-CG 4.35Å; L59-L64 HydrophobicContact CD1-CD2 3.93Å
60	S	91.8	Very high	93.7	Very high	54 Å²	54	42.5 Å²	42.5	38%	0.378	22%	0.219	S	C	.	.			trans	-71.5	158.7	171	64.4	0	0	0	0	111.6	K62 E63 L64	S60-K62 PolarHBondContact O-N 3.03Å; S60-E63 PolarHBondContact N-OE2 2.9Å; S60-E63 PolarHBondContact O-N 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.33Å; S60-E63 PolarHBondContact OG-N 2.96Å; S60-E63 VanDerWaalsContact OG-N 3.14Å; S60-E63 PolarHBondContact OG-OE2 3.31Å; S60-E63 VanDerWaalsContact OG-OE2 3.07Å; S60-L64 PolarHBondContact O-N 3.3Å
61	V	91.8	Very high	93.6	Very high	95 Å²	95	44.1 Å²	44.1	58%	0.576	23%	0.23	S	C	*	.	H	α-helix	trans	-57.2	-34.5	172.6	177.6	0	0	0	0	111.3	L64 R65	V61-L64 PolarHBondContact O-N 2.98Å; V61-R65 WeakPolarHBondContact O-CB 3.39Å; V61-R65 PolarHBondContact O-N 2.85Å
62	K	90.4	Very high	93.6	Very high	132 Å²	132	47.7 Å²	47.7	57%	0.574	25%	0.246	S	C	*	.	H	α-helix	trans	-60.3	-50.4	173.7	-179.8	-177.7	174.9	-173.2	0	110.8	S60 L64 R65 D66	S60-K62 PolarHBondContact O-N 3.03Å; K62-L64 PolarHBondContact O-N 2.73Å; K62-R65 PolarHBondContact O-N 2.95Å; K62-D66 PolarHBondContact O-N 3.15Å
63	E	91.7	Very high	93.6	Very high	61 Å²	61	47.8 Å²	47.8	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-40.1	178.5	-74.3	172.5	107.4	0	0	112.6	K23 S60 R65 D66 M67	K23-E63 IonicContact NZ-OE1 2.99Å; K23-E63 PolarHBondContact NZ-OE1 2.99Å; S60-E63 PolarHBondContact N-OE2 2.9Å; S60-E63 PolarHBondContact O-N 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.33Å; S60-E63 PolarHBondContact OG-N 2.96Å; S60-E63 VanDerWaalsContact OG-N 3.14Å; S60-E63 PolarHBondContact OG-OE2 3.31Å; S60-E63 VanDerWaalsContact OG-OE2 3.07Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 2.9Å; E63-D66 PolarHBondContact O-N 3.43Å; E63-M67 WeakPolarHBondContact O-CB 3.44Å; E63-M67 VanDerWaalsContact O-CG 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.21Å; E63-M67 PolarHBondContact O-N 3.49Å
64	L	94.3	Very high	93.7	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-45	174.7	-68.4	178.4	0	0	0	111.1	L26 L45 I55 L59 S60 V61 K62 M67 G68 I69	L26-L64 HydrophobicContact CD1-CD2 3.7Å; L45-L64 HydrophobicContact CD2-CD2 4.34Å; I55-L64 HydrophobicContact CG2-CD1 4.43Å; I55-L64 HydrophobicContact CG2-CD2 4.32Å; L59-L64 HydrophobicContact CB-CD2 4.12Å; L59-L64 HydrophobicContact CB-CG 4.35Å; L59-L64 HydrophobicContact CD1-CD2 3.93Å; S60-L64 PolarHBondContact O-N 3.3Å; V61-L64 PolarHBondContact O-N 2.98Å; K62-L64 PolarHBondContact O-N 2.73Å; L64-M67 CarbonylContact O-C 3.54Å; L64-M67 WeakPolarHBondContact O-CB 3.5Å; L64-M67 PolarHBondContact O-N 3.15Å; L64-G68 PolarHBondContact O-N 3.47Å; L64-I69 HydrophobicContact CB-CB 4.11Å; L64-I69 HydrophobicContact CB-CG1 4.24Å; L64-I69 HydrophobicContact CD2-CG1 4.37Å; L64-I69 VanDerWaalsContact O-CB 3.23Å; L64-I69 WeakPolarHBondContact O-CB 3.48Å; L64-I69 WeakPolarHBondContact O-CG1 3.49Å; L64-I69 PolarHBondContact O-N 3.23Å
65	R	92.8	Very high	93.8	Very high	142 Å²	142	49.1 Å²	49.1	54%	0.536	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-43.1	177.1	-176.6	-177.6	61.8	-141.8	-3.6	112.3	V61 K62 E63 M67 G68	V61-R65 WeakPolarHBondContact O-CB 3.39Å; V61-R65 PolarHBondContact O-N 2.85Å; K62-R65 PolarHBondContact O-N 2.95Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 2.9Å; R65-M67 PolarHBondContact O-N 3.04Å; R65-M67 VanDerWaalsContact O-N 3.15Å; R65-G68 PolarHBondContact O-N 3.13Å
66	D	90.2	Very high	93.8	Very high	98 Å²	98	52.9 Å²	52.9	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-20.3	177.1	-63.9	-12	0	0	0	111.5	K62 E63	K62-D66 PolarHBondContact O-N 3.15Å; E63-D66 PolarHBondContact O-N 3.43Å
67	M	90.4	Very high	93.9	Very high	19 Å²	19	52 Å²	52	9%	0.094	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7.6	173.4	-68.1	-171.9	67.7	0	0	114.9	K23 L26 K43 E63 L64 R65	K23-M67 HydrophobicContact CB-CE 3.93Å; K23-M67 HydrophobicContact CB-SD 4.27Å; K23-M67 HydrophobicContact CD-SD 4.31Å; K23-M67 HydrophobicContact CG-CE 4.11Å; K23-M67 HydrophobicContact CG-SD 3.77Å; K23-M67 VanDerWaalsContact O-CE 3.28Å; K23-M67 WeakPolarHBondContact O-CE 3.4Å; L26-M67 HydrophobicContact CB-CE 3.65Å; L26-M67 HydrophobicContact CD1-CE 4.25Å; L26-M67 HydrophobicContact CD1-SD 4.15Å; K43-M67 WeakPolarHBondContact CE-O 3.44Å; E63-M67 WeakPolarHBondContact O-CB 3.44Å; E63-M67 VanDerWaalsContact O-CG 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.21Å; E63-M67 PolarHBondContact O-N 3.49Å; L64-M67 CarbonylContact O-C 3.54Å; L64-M67 WeakPolarHBondContact O-CB 3.5Å; L64-M67 PolarHBondContact O-N 3.15Å; R65-M67 PolarHBondContact O-N 3.04Å; R65-M67 VanDerWaalsContact O-N 3.15Å
68	G	92.4	Very high	93.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	10.9	179.4	0	0	0	0	0	114.7	W42 K43 L64 R65 T70	W42-G68 CarbonylContact C-O 3.58Å; W42-G68 WeakPolarHBondContact CA-O 3.44Å; K43-G68 PolarHBondContact N-O 3.43Å; L64-G68 PolarHBondContact O-N 3.47Å; R65-G68 PolarHBondContact O-N 3.13Å; G68-T70 PolarHBondContact O-N 3.37Å
69	I	95.8	Very high	94	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.4	172.1	-51.9	-51.8	0	0	0	108.9	L26 K43 L45 L64 L71 H72	L26-I69 HydrophobicContact CD2-CD1 4.14Å; L26-I69 HydrophobicContact CD2-CG1 4.49Å; K43-I69 HydrophobicContact CD-CD1 3.61Å; K43-I69 HydrophobicContact CG-CD1 3.34Å; K43-I69 WeakPolarHBondContact O-CA 3.35Å; L45-I69 HydrophobicContact CB-CD1 4.3Å; L45-I69 HydrophobicContact CB-CG2 3.65Å; L64-I69 HydrophobicContact CB-CB 4.11Å; L64-I69 HydrophobicContact CB-CG1 4.24Å; L64-I69 HydrophobicContact CD2-CG1 4.37Å; L64-I69 VanDerWaalsContact O-CB 3.23Å; L64-I69 WeakPolarHBondContact O-CB 3.48Å; L64-I69 WeakPolarHBondContact O-CG1 3.49Å; L64-I69 PolarHBondContact O-N 3.23Å; I69-L71 WeakPolarHBondContact CG2-O 3.25Å; I69-H72 HydrophobicContact CG2-CB 4.46Å
70	T	92.2	Very high	93.9	Very high	71 Å²	71	65.9 Å²	65.9	44%	0.436	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-39.4	178.8	53.8	0	0	0	0	111.9	W42 K43 G68	W42-T70 HydrophobicContact CB-CG2 3.87Å; W42-T70 HydrophobicContact CD2-CG2 3.86Å; W42-T70 HydrophobicContact CE3-CG2 3.41Å; W42-T70 VanDerWaalsContact CE3-CG2 3.41Å; W42-T70 HydrophobicContact CG-CG2 4.07Å; W42-T70 HydrophobicContact CZ3-CG2 4.23Å; K43-T70 PolarHBondContact O-N 3.4Å; K43-T70 PolarHBondContact O-OG1 3.04Å; G68-T70 PolarHBondContact O-N 3.37Å
71	L	94.9	Very high	94.1	Very high	79 Å²	79	67 Å²	67	41%	0.414	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.1	180	-66.1	175.5	0	0	0	110	V44 L45 I69 I82	V44-L71 HydrophobicContact CG1-CB 4.13Å; V44-L71 HydrophobicContact CG2-CB 4.44Å; L45-L71 PolarHBondContact N-O 3.47Å; I69-L71 WeakPolarHBondContact CG2-O 3.25Å; L71-I82 HydrophobicContact CD1-CD1 3.76Å
72	H	96.2	Very high	94.2	Very high	75 Å²	75	64.9 Å²	64.9	35%	0.347	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.6	170.1	54.3	-90.6	0	0	0	109.5	L45 Y47 I69	L45-H72 HydrophobicContact CB-CB 4.13Å; L45-H72 HydrophobicContact CD2-CB 4.25Å; L45-H72 HydrophobicContact CG-CB 4.4Å; L45-H72 CarbonylContact O-C 3.47Å; L45-H72 VanDerWaalsContact O-CA 3.23Å; L45-H72 WeakPolarHBondContact O-CA 3.39Å; Y47-H72 HydrophobicContact CE1-CB 4Å; Y47-H72 PolarHBondContact OH-CD2 3.33Å; Y47-H72 VanDerWaalsContact OH-CD2 3.3Å; I69-H72 HydrophobicContact CG2-CB 4.46Å
73	L	97.1	Very high	94.3	Very high	53 Å²	53	62 Å²	62	28%	0.277	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.2	-169.8	-59.6	168.1	0	0	0	110.6	V44 L45 I46 Y47 R79	V44-L73 HydrophobicContact CG1-CD1 4.36Å; L45-L73 PolarHBondContact O-N 2.66Å; I46-L73 WeakPolarHBondContact CA-O 3.39Å; I46-L73 HydrophobicContact CD1-CB 3.93Å; I46-L73 HydrophobicContact CD1-CD1 4.37Å; Y47-L73 PolarHBondContact N-O 2.67Å; Y47-L73 VanDerWaalsContact N-O 3.11Å; L73-R79 HydrophobicContact CB-CG 4.4Å; L73-R79 HydrophobicContact CD1-CG 4Å
74	L	97.8	Very high	94.3	Very high	43 Å²	43	65.9 Å²	65.9	23%	0.225	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	136.9	174.5	-73.2	165.9	0	0	0	110.4	Y47 R49 H76 S77 R79	Y47-L74 HydrophobicContact CD2-CD2 3.89Å; Y47-L74 HydrophobicContact CE2-CD2 3.75Å; Y47-L74 HydrophobicContact CE2-CG 4.27Å; Y47-L74 CarbonylContact O-C 3.52Å; Y47-L74 VanDerWaalsContact O-CA 3.25Å; Y47-L74 WeakPolarHBondContact O-CA 3.41Å; R49-L74 HydrophobicContact CG-CD2 4.47Å; R49-L74 VanDerWaalsContact CZ-CD1 3.4Å; L74-H76 PolarHBondContact O-N 3.09Å; L74-H76 VanDerWaalsContact O-N 3.09Å; L74-S77 WeakPolarHBondContact O-CB 3.46Å; L74-S77 PolarHBondContact O-N 2.77Å; L74-S77 PolarHBondContact O-OG 2.9Å; L74-R79 PolarHBondContact O-NH1 2.74Å
75	L	97.9	Very high	94.4	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.8	179.8	-177.2	69.8	0	0	0	113.4	I46 Y47 R79 Y89 V91 N97 R100 M101	I46-L75 HydrophobicContact CG2-CB 4.13Å; I46-L75 HydrophobicContact CG2-CD1 3.74Å; Y47-L75 PolarHBondContact O-N 3.02Å; L75-R79 PolarHBondContact O-NH1 2.91Å; L75-R79 PolarHBondContact O-NH2 3.35Å; L75-Y89 HydrophobicContact CD1-CD1 3.93Å; L75-Y89 HydrophobicContact CD1-CE1 3.63Å; L75-V91 HydrophobicContact CB-CG1 4.45Å; L75-V91 HydrophobicContact CD2-CB 4.5Å; L75-V91 HydrophobicContact CD2-CG1 3.99Å; L75-N97 HydrophobicContact CD2-CB 3.57Å; L75-N97 WeakPolarHBondContact CD2-OD1 3.37Å; L75-R100 HydrophobicContact CD1-CG 4.16Å; L75-R100 HydrophobicContact CD2-CB 4.34Å; L75-R100 HydrophobicContact CG-CB 4.26Å; L75-R100 HydrophobicContact CG-CG 3.9Å; L75-R100 VanDerWaalsContact O-CG 3.24Å; L75-R100 WeakPolarHBondContact O-CG 3.3Å; L75-R100 PolarHBondContact O-NE 3.15Å; L75-M101 HydrophobicContact CD1-CG 4.07Å; L75-M101 HydrophobicContact CD2-CG 4.5Å
76	H	96.6	Very high	94.6	Very high	83 Å²	83	60.8 Å²	60.8	38%	0.384	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.1	179.6	-62.9	-56	0	0	0	114	L74 E96 N97	L74-H76 PolarHBondContact O-N 3.09Å; L74-H76 VanDerWaalsContact O-N 3.09Å; H76-E96 IonicContact CD2-OE1 3.96Å; H76-E96 IonicContact CE1-OE1 3.97Å; H76-E96 IonicContact ND1-OE1 3.43Å; H76-E96 IonicContact NE2-OE1 3.36Å; H76-N97 PolarHBondContact NE2-OD1 3.13Å
77	S	96.1	Very high	95	Very high	36 Å²	36	56.1 Å²	56.1	25%	0.252	31%	0.306	S	S	.	.	S	Bend	trans	-77.6	155.7	168.7	62.2	0	0	0	0	111.7	L74 R79 R100	L74-S77 WeakPolarHBondContact O-CB 3.46Å; L74-S77 PolarHBondContact O-N 2.77Å; L74-S77 PolarHBondContact O-OG 2.9Å; S77-R79 PolarHBondContact O-N 3.16Å; S77-R79 PolarHBondContact O-NH1 2.9Å; S77-R100 PolarHBondContact O-NH2 2.93Å
78	D	93.4	Very high	95.4	Very high	167 Å²	167	55.2 Å²	55.2	89%	0.893	30%	0.302	S	S	*	.			trans	-68.4	125.6	164	-63.8	-40	0	0	0	108.5
79	R	95.7	Very high	95.7	Very high	21 Å²	21	55.2 Å²	55.2	8%	0.079	30%	0.302	C	S	.	.			trans	-129.7	130.1	-175.3	-64.3	-175.7	-67.1	-78.4	7.8	109.7	L73 L74 L75 S77 D104 Y110	L73-R79 HydrophobicContact CB-CG 4.4Å; L73-R79 HydrophobicContact CD1-CG 4Å; L74-R79 PolarHBondContact O-NH1 2.74Å; L75-R79 PolarHBondContact O-NH1 2.91Å; L75-R79 PolarHBondContact O-NH2 3.35Å; S77-R79 PolarHBondContact O-N 3.16Å; S77-R79 PolarHBondContact O-NH1 2.9Å; R79-D104 IonicContact CZ-OD2 2.71Å; R79-D104 IonicContact NH2-OD1 3.74Å; R79-D104 PolarHBondContact NH2-OD1 3.1Å; R79-D104 IonicContact NH2-OD2 3.86Å; R79-D104 PolarHBondContact NH2-OD2 3.03Å; R79-Y110 WeakPolarHBondContact CD-OH 3.46Å
80	D	93.2	Very high	95.8	Very high	138 Å²	138	55 Å²	55	74%	0.738	30%	0.301	S	S	*	.			trans	-74.1	145.3	172.2	-63.9	-46.1	0	0	0	110.6
81	P	94.3	Very high	96.1	Very high	79 Å²	79	51.6 Å²	51.6	51%	0.513	28%	0.28	S	S	.	.			trans	-60.8	136.2	174.8	-20	30.5	0	0	0	111.9	P83 L109	P81-P83 HydrophobicContact CB-CG 4.27Å; P81-L109 HydrophobicContact CB-CD2 4.07Å; P81-L109 HydrophobicContact CG-CD2 3.78Å
82	I	95.1	Very high	96.2	Very high	50 Å²	50	49 Å²	49	26%	0.256	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-129.2	72	171.6	-47	177.8	0	0	0	108.3	V44 L71 D84 V85 L109 Y110	V44-I82 HydrophobicContact CG2-CD1 4.17Å; L71-I82 HydrophobicContact CD1-CD1 3.76Å; I82-D84 PolarHBondContact O-N 2.85Å; I82-D84 VanDerWaalsContact O-N 3.11Å; I82-V85 HydrophobicContact CG2-CB 3.72Å; I82-V85 HydrophobicContact CG2-CG2 3.49Å; I82-V85 VanDerWaalsContact CG2-CG2 3.49Å; I82-V85 PolarHBondContact O-N 3.42Å; I82-L109 CarbonylContact C-O 3.6Å; I82-L109 PolarHBondContact N-O 2.89Å; I82-Y110 HydrophobicContact CB-CD1 4.3Å; I82-Y110 HydrophobicContact CB-CE1 4.35Å
83	P	91.9	Very high	96.2	Very high	70 Å²	70	46 Å²	46	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.5	-166.2	-22	35.2	0	0	0	115.6	P81 E111	P81-P83 HydrophobicContact CB-CG 4.27Å; P83-E111 WeakPolarHBondContact O-CA 3.41Å; P83-E111 WeakPolarHBondContact O-CB 3.41Å; P83-E111 PolarHBondContact O-N 3.43Å; P83-E111 VanDerWaalsContact O-N 3.12Å
84	D	92.8	Very high	96.2	Very high	143 Å²	143	46 Å²	46	77%	0.765	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	9.5	-178	-55.7	-49.9	0	0	0	113	I82	I82-D84 PolarHBondContact O-N 2.85Å; I82-D84 VanDerWaalsContact O-N 3.11Å
85	V	95.9	Very high	96.1	Very high	30 Å²	30	50.8 Å²	50.8	18%	0.182	28%	0.277	C	S	.	.	S	Bend	trans	-126.8	130.2	-177	-176.8	0	0	0	0	110.7	V44 I82 E111	V44-V85 HydrophobicContact CG2-CB 4.49Å; V44-V85 HydrophobicContact CG2-CG1 3.82Å; I82-V85 HydrophobicContact CG2-CB 3.72Å; I82-V85 HydrophobicContact CG2-CG2 3.49Å; I82-V85 VanDerWaalsContact CG2-CG2 3.49Å; I82-V85 PolarHBondContact O-N 3.42Å; V85-E111 PolarHBondContact O-N 2.97Å
86	P	96.9	Very high	96.1	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.091	31%	0.305	C	S	.	.			trans	-62.6	143.7	171.7	-25.4	35.2	0	0	0	113	F28 K43 V44 E111 S112 Y114	F28-P86 HydrophobicContact CE1-CB 4.1Å; F28-P86 HydrophobicContact CZ-CB 4.11Å; K43-P86 CarbonylContact C-O 3.38Å; K43-P86 VanDerWaalsContact CA-O 3.29Å; K43-P86 WeakPolarHBondContact CA-O 3.41Å; K43-P86 HydrophobicContact CB-CB 4.42Å; K43-P86 WeakPolarHBondContact CB-O 3.36Å; V44-P86 PolarHBondContact N-O 3.36Å; P86-E111 WeakPolarHBondContact CD-OE2 3.34Å; P86-S112 WeakPolarHBondContact CB-OG 3.26Å; P86-Y114 HydrophobicContact CB-CE2 4.16Å
87	A	98	Very high	96.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.8	174.9	0	0	0	0	0	112.4	V44 I46 Y89 Y110 S112 Y114	V44-A87 CarbonylContact O-C 3.53Å; V44-A87 WeakPolarHBondContact O-CA 3.49Å; I46-A87 HydrophobicContact CG1-CB 4.42Å; A87-Y89 HydrophobicContact CB-CD2 4.2Å; A87-Y89 HydrophobicContact CB-CE2 3.73Å; A87-Y110 HydrophobicContact CB-CD1 3.85Å; A87-Y110 HydrophobicContact CB-CD2 3.4Å; A87-Y110 VanDerWaalsContact CB-CD2 3.4Å; A87-Y110 HydrophobicContact CB-CE1 4.27Å; A87-Y110 HydrophobicContact CB-CE2 3.86Å; A87-Y110 HydrophobicContact CB-CG 3.4Å; A87-S112 PolarHBondContact N-O 3.37Å; A87-Y114 PolarHBondContact O-N 3.02Å
88	V	98.4	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.7	171.8	-178.4	0	0	0	0	108.5	M25 F28 K43 V44 L45 I46	M25-V88 HydrophobicContact SD-CG1 3.53Å; M25-V88 VanDerWaalsContact SD-CG1 3.53Å; F28-V88 HydrophobicContact CD1-CG2 4.01Å; F28-V88 HydrophobicContact CE1-CG2 3.83Å; K43-V88 HydrophobicContact CD-CG2 3.83Å; K43-V88 HydrophobicContact CG-CG2 4.35Å; V44-V88 PolarHBondContact O-N 3.41Å; L45-V88 WeakPolarHBondContact CA-O 3.38Å; I46-V88 PolarHBondContact N-O 2.75Å
89	Y	98.7	Very high	96.5	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.3	175.1	-75.1	-111.1	0	0	0	109.4	I46 L75 A87 M101 D104 Y110 Y113 Y114 L115 N116	I46-Y89 HydrophobicContact CB-CD1 3.97Å; I46-Y89 HydrophobicContact CB-CD2 4.39Å; I46-Y89 HydrophobicContact CB-CE1 4.05Å; I46-Y89 HydrophobicContact CB-CE2 4.45Å; I46-Y89 HydrophobicContact CB-CG 4.14Å; I46-Y89 HydrophobicContact CG1-CD2 4.49Å; I46-Y89 HydrophobicContact CG1-CE1 4.38Å; I46-Y89 HydrophobicContact CG1-CE2 4.19Å; I46-Y89 HydrophobicContact CG2-CD1 3.88Å; I46-Y89 HydrophobicContact CG2-CE1 3.76Å; I46-Y89 CarbonylContact O-C 3.55Å; I46-Y89 VanDerWaalsContact O-CA 3.26Å; I46-Y89 WeakPolarHBondContact O-CA 3.17Å; L75-Y89 HydrophobicContact CD1-CD1 3.93Å; L75-Y89 HydrophobicContact CD1-CE1 3.63Å; A87-Y89 HydrophobicContact CB-CD2 4.2Å; A87-Y89 HydrophobicContact CB-CE2 3.73Å; Y89-M101 HydrophobicContact CD1-CE 4.46Å; Y89-M101 HydrophobicContact CD1-CG 3.94Å; Y89-M101 HydrophobicContact CD1-SD 4.38Å; Y89-M101 HydrophobicContact CE1-CG 3.99Å; Y89-D104 WeakPolarHBondContact OH-CB 3.13Å; Y89-D104 PolarHBondContact OH-OD2 3.22Å; Y89-Y110 HydrophobicContact CE2-CD2 4.19Å; Y89-Y110 HydrophobicContact CE2-CE2 4.27Å; Y89-Y110 VanDerWaalsContact OH-CE2 3.27Å; Y89-Y110 WeakPolarHBondContact OH-CE2 3.07Å; Y89-Y113 HydrophobicContact CD2-CD1 4.44Å; Y89-Y113 AromaticContact CE2-CD1 3.59Å; Y89-Y113 HydrophobicContact CE2-CD1 3.59Å; Y89-Y113 HydrophobicContact CE2-CE1 4.19Å; Y89-Y113 AromaticContact CZ-CD1 3.99Å; Y89-Y114 PolarHBondContact N-O 3.45Å; Y89-L115 HydrophobicContact CD2-CD2 3.99Å; Y89-L115 HydrophobicContact CG-CD2 4.03Å; Y89-N116 WeakPolarHBondContact O-CA 3.24Å; Y89-N116 WeakPolarHBondContact O-CB 3.39Å; Y89-N116 PolarHBondContact O-N 3.17Å; Y89-N116 PolarHBondContact O-ND2 3.22Å
90	F	98.6	Very high	96.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	95.4	172.5	-178.3	-122.6	0	0	0	110.2	L22 M25 L45 I46 Y47 I54 I55 N116 I118 Q148 L150	L22-F90 HydrophobicContact CD2-CE1 3.93Å; L22-F90 HydrophobicContact CD2-CE2 4.37Å; L22-F90 HydrophobicContact CD2-CZ 3.79Å; M25-F90 HydrophobicContact CE-CB 3.86Å; M25-F90 HydrophobicContact CE-CD1 4.07Å; M25-F90 HydrophobicContact CE-CD2 3.66Å; M25-F90 HydrophobicContact CE-CE2 4.16Å; M25-F90 HydrophobicContact CE-CG 3.59Å; M25-F90 HydrophobicContact SD-CB 4.23Å; M25-F90 HydrophobicContact SD-CD2 4.48Å; M25-F90 HydrophobicContact SD-CG 4.5Å; L45-F90 HydrophobicContact CD1-CB 4.46Å; I46-F90 PolarHBondContact O-N 3.46Å; Y47-F90 VanDerWaalsContact CA-O 3.24Å; Y47-F90 WeakPolarHBondContact CA-O 3.04Å; Y47-F90 VanDerWaalsContact CB-O 3.28Å; Y47-F90 WeakPolarHBondContact CB-O 3.44Å; I54-F90 HydrophobicContact CB-CE1 4.11Å; I54-F90 HydrophobicContact CB-CZ 4.49Å; I54-F90 HydrophobicContact CD1-CE1 4.24Å; I54-F90 HydrophobicContact CD1-CZ 4.14Å; I54-F90 HydrophobicContact CG2-CE1 4.05Å; I54-F90 HydrophobicContact CG2-CZ 4.1Å; I55-F90 HydrophobicContact CD1-CD1 3.68Å; I55-F90 HydrophobicContact CD1-CE1 4.16Å; I55-F90 HydrophobicContact CG1-CD1 4.11Å; I55-F90 HydrophobicContact CG1-CE1 4.06Å; F90-N116 VanDerWaalsContact CA-O 3.32Å; F90-N116 WeakPolarHBondContact CA-O 3.39Å; F90-N116 HydrophobicContact CD2-CB 4.39Å; F90-I118 HydrophobicContact CD1-CG1 4.37Å; F90-I118 HydrophobicContact CD2-CG1 3.88Å; F90-I118 HydrophobicContact CE1-CD1 4.31Å; F90-I118 HydrophobicContact CE1-CG1 4.04Å; F90-I118 HydrophobicContact CE2-CB 4.35Å; F90-I118 HydrophobicContact CE2-CG1 3.49Å; F90-I118 VanDerWaalsContact CE2-CG1 3.49Å; F90-I118 HydrophobicContact CG-CG1 4.32Å; F90-I118 HydrophobicContact CZ-CD1 4.32Å; F90-I118 HydrophobicContact CZ-CG1 3.59Å; F90-Q148 HydrophobicContact CE2-CB 4.34Å; F90-Q148 HydrophobicContact CE2-CG 4.33Å; F90-L150 HydrophobicContact CE2-CB 4.47Å; F90-L150 HydrophobicContact CE2-CD1 4.24Å; F90-L150 HydrophobicContact CZ-CB 4.19Å; F90-L150 HydrophobicContact CZ-CD1 4.24Å
91	V	98.4	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.9	-164.8	-58.6	0	0	0	0	112.3	D48 L75 M101 N116 F117 I118	D48-V91 HydrophobicContact CB-CG1 4.42Å; L75-V91 HydrophobicContact CB-CG1 4.45Å; L75-V91 HydrophobicContact CD2-CB 4.5Å; L75-V91 HydrophobicContact CD2-CG1 3.99Å; V91-M101 HydrophobicContact CG2-SD 3.68Å; V91-N116 PolarHBondContact N-O 2.84Å; V91-N116 VanDerWaalsContact N-O 3.12Å; V91-F117 HydrophobicContact CG2-CD1 4.11Å; V91-F117 HydrophobicContact CG2-CE1 4.15Å; V91-F117 WeakPolarHBondContact O-CA 3.26Å; V91-I118 PolarHBondContact O-N 3.49Å
92	M	96.9	Very high	97	Very high	26 Å²	26	39.5 Å²	39.5	13%	0.128	21%	0.207	C	C	.	.			trans	-71	143.7	168.7	-76.8	-63.1	-73.6	0	0	110.2	D48 F50 T94 N97 I118	D48-M92 WeakPolarHBondContact OD2-CB 3.39Å; D48-M92 PolarHBondContact OD2-N 3.49Å; F50-M92 HydrophobicContact CB-CG 3.61Å; F50-M92 HydrophobicContact CD1-CG 4.03Å; F50-M92 HydrophobicContact CD2-CB 4.42Å; F50-M92 HydrophobicContact CD2-CG 3.75Å; F50-M92 HydrophobicContact CE2-CG 4.42Å; F50-M92 HydrophobicContact CG-CG 3.53Å; M92-T94 HydrophobicContact CB-CG2 4.03Å; M92-T94 PolarHBondContact O-N 2.76Å; M92-N97 WeakPolarHBondContact O-CB 3.31Å; M92-N97 PolarHBondContact O-ND2 3.46Å; M92-I118 HydrophobicContact CG-CB 4.39Å; M92-I118 HydrophobicContact CG-CD1 3.92Å; M92-I118 HydrophobicContact SD-CB 3.58Å; M92-I118 VanDerWaalsContact SD-CB 3.58Å; M92-I118 HydrophobicContact SD-CD1 4.16Å; M92-I118 HydrophobicContact SD-CG1 4.45Å; M92-I118 HydrophobicContact SD-CG2 3.52Å; M92-I118 VanDerWaalsContact SD-CG2 3.52Å
93	P	96.9	Very high	97	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.078	21%	0.214	C	C	.	.			trans	-78.8	51	177.3	33.8	-36.2	0	0	0	112.2	F117 S119 I121 K125	P93-F117 HydrophobicContact CB-CD1 3.89Å; P93-F117 HydrophobicContact CB-CG 4.35Å; P93-S119 WeakPolarHBondContact CD-OG 3.3Å; P93-S119 WeakPolarHBondContact CG-OG 3.28Å; P93-I121 HydrophobicContact CB-CB 4.15Å; P93-I121 HydrophobicContact CB-CG1 4.12Å; P93-K125 WeakPolarHBondContact O-CD 3.29Å; P93-K125 WeakPolarHBondContact O-CE 3.3Å; P93-K125 PolarHBondContact O-NZ 3.06Å
94	T	96.2	Very high	97.3	Very high	51 Å²	51	38 Å²	38	31%	0.313	19%	0.193	S	C	.	.			trans	-82.9	151.3	174	56.5	0	0	0	0	110.8	M92 E96 N97 I98	M92-T94 HydrophobicContact CB-CG2 4.03Å; M92-T94 PolarHBondContact O-N 2.76Å; T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 PolarHBondContact O-N 3.28Å; T94-N97 PolarHBondContact O-N 2.96Å; T94-N97 VanDerWaalsContact O-N 3.1Å; T94-N97 WeakPolarHBondContact OG1-CB 3.48Å; T94-N97 PolarHBondContact OG1-N 3.01Å; T94-N97 PolarHBondContact OG1-ND2 3.25Å; T94-I98 VanDerWaalsContact O-CG1 3.32Å; T94-I98 WeakPolarHBondContact O-CG1 3.42Å; T94-I98 PolarHBondContact O-N 2.96Å
95	E	96.7	Very high	97.4	Very high	144 Å²	144	31.3 Å²	31.3	67%	0.673	16%	0.157	S	C	*	.	H	α-helix	trans	-52.7	-46.9	179.2	-66.7	177.1	-179.8	0	0	112.4	N97 I98 D99	E95-N97 VanDerWaalsContact C-N 3.34Å; E95-N97 PolarHBondContact O-N 2.98Å; E95-I98 PolarHBondContact O-N 3.42Å; E95-I98 VanDerWaalsContact O-N 3.11Å; E95-D99 PolarHBondContact O-N 3.42Å
96	E	97.2	Very high	97.4	Very high	129 Å²	129	37.2 Å²	37.2	60%	0.603	18%	0.176	S	C	*	.	H	α-helix	trans	-55.7	-45	177.3	-169.9	-170.5	169	0	0	113.1	H76 T94 R100	H76-E96 IonicContact CD2-OE1 3.96Å; H76-E96 IonicContact CE1-OE1 3.97Å; H76-E96 IonicContact ND1-OE1 3.43Å; H76-E96 IonicContact NE2-OE1 3.36Å; T94-E96 VanDerWaalsContact C-N 3.31Å; T94-E96 PolarHBondContact O-N 3.28Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 PolarHBondContact O-N 3.46Å
97	N	98.1	Very high	97.3	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-41.5	177.5	-72	-6.4	0	0	0	111.8	D48 L75 H76 M92 T94 E95 R100 M101	D48-N97 PolarHBondContact OD2-ND2 3.04Å; L75-N97 HydrophobicContact CD2-CB 3.57Å; L75-N97 WeakPolarHBondContact CD2-OD1 3.37Å; H76-N97 PolarHBondContact NE2-OD1 3.13Å; M92-N97 WeakPolarHBondContact O-CB 3.31Å; M92-N97 PolarHBondContact O-ND2 3.46Å; T94-N97 PolarHBondContact O-N 2.96Å; T94-N97 VanDerWaalsContact O-N 3.1Å; T94-N97 WeakPolarHBondContact OG1-CB 3.48Å; T94-N97 PolarHBondContact OG1-N 3.01Å; T94-N97 PolarHBondContact OG1-ND2 3.25Å; E95-N97 VanDerWaalsContact C-N 3.34Å; E95-N97 PolarHBondContact O-N 2.98Å; N97-R100 PolarHBondContact O-N 3Å; N97-M101 WeakPolarHBondContact O-CB 3.36Å; N97-M101 WeakPolarHBondContact O-CG 3.43Å; N97-M101 PolarHBondContact O-N 3.14Å
98	I	98.3	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-45.4	178.6	-61.2	-65.4	0	0	0	110	T94 E95 R100 M101 C102 F117 I121 K125 D128 I129	T94-I98 VanDerWaalsContact O-CG1 3.32Å; T94-I98 WeakPolarHBondContact O-CG1 3.42Å; T94-I98 PolarHBondContact O-N 2.96Å; E95-I98 PolarHBondContact O-N 3.42Å; E95-I98 VanDerWaalsContact O-N 3.11Å; I98-R100 PolarHBondContact O-N 3.31Å; I98-M101 PolarHBondContact O-N 3.22Å; I98-C102 WeakPolarHBondContact O-CB 3.41Å; I98-C102 PolarHBondContact O-N 3.01Å; I98-C102 PolarHBondContact O-SG 3.44Å; I98-F117 HydrophobicContact CD1-CE1 3.72Å; I98-F117 HydrophobicContact CD1-CZ 4.07Å; I98-I121 HydrophobicContact CD1-CD1 3.75Å; I98-K125 HydrophobicContact CD1-CB 4.27Å; I98-K125 HydrophobicContact CG1-CB 4.19Å; I98-K125 HydrophobicContact CG1-CD 4.17Å; I98-K125 HydrophobicContact CG1-CG 4.26Å; I98-D128 HydrophobicContact CG2-CB 4.37Å; I98-I129 HydrophobicContact CD1-CD1 3.74Å; I98-I129 HydrophobicContact CD1-CG1 4.43Å; I98-I129 HydrophobicContact CG2-CD1 4.38Å; I98-I129 HydrophobicContact CG2-CG1 3.92Å
99	D	98	Very high	97.1	Very high	108 Å²	108	45 Å²	45	58%	0.578	22%	0.215	S	C	*	.	H	α-helix	trans	-60.8	-44	177.1	-75.3	-22.7	0	0	0	112.1	E95 M101 C102 Q103	E95-D99 PolarHBondContact O-N 3.42Å; D99-M101 VanDerWaalsContact C-N 3.34Å; D99-M101 PolarHBondContact O-N 3.37Å; D99-C102 WeakPolarHBondContact O-CB 3.38Å; D99-C102 PolarHBondContact O-N 3.39Å; D99-Q103 PolarHBondContact O-N 2.96Å
100	R	97.9	Very high	97	Very high	37 Å²	37	45.1 Å²	45.1	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-38.4	177.7	-171.5	65.7	-175.5	93.7	6.2	112.1	L75 S77 E96 N97 I98 Q103 D104	L75-R100 HydrophobicContact CD1-CG 4.16Å; L75-R100 HydrophobicContact CD2-CB 4.34Å; L75-R100 HydrophobicContact CG-CB 4.26Å; L75-R100 HydrophobicContact CG-CG 3.9Å; L75-R100 VanDerWaalsContact O-CG 3.24Å; L75-R100 WeakPolarHBondContact O-CG 3.3Å; L75-R100 PolarHBondContact O-NE 3.15Å; S77-R100 PolarHBondContact O-NH2 2.93Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 PolarHBondContact O-N 3.46Å; N97-R100 PolarHBondContact O-N 3Å; I98-R100 PolarHBondContact O-N 3.31Å; R100-Q103 WeakPolarHBondContact O-CB 3.3Å; R100-Q103 PolarHBondContact O-N 2.95Å; R100-D104 IonicContact CZ-OD1 3.39Å; R100-D104 IonicContact NH1-OD1 3.33Å; R100-D104 PolarHBondContact NH1-OD1 3.42Å; R100-D104 IonicContact NH2-OD1 2.88Å; R100-D104 PolarHBondContact O-N 2.91Å
101	M	97.8	Very high	96.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-42.3	173.8	-70.9	171.1	59.3	0	0	112	L75 Y89 V91 N97 I98 D99 Q103 D104 L105 L115 F117 I129	L75-M101 HydrophobicContact CD1-CG 4.07Å; L75-M101 HydrophobicContact CD2-CG 4.5Å; Y89-M101 HydrophobicContact CD1-CE 4.46Å; Y89-M101 HydrophobicContact CD1-CG 3.94Å; Y89-M101 HydrophobicContact CD1-SD 4.38Å; Y89-M101 HydrophobicContact CE1-CG 3.99Å; V91-M101 HydrophobicContact CG2-SD 3.68Å; N97-M101 WeakPolarHBondContact O-CB 3.36Å; N97-M101 WeakPolarHBondContact O-CG 3.43Å; N97-M101 PolarHBondContact O-N 3.14Å; I98-M101 PolarHBondContact O-N 3.22Å; D99-M101 VanDerWaalsContact C-N 3.34Å; D99-M101 PolarHBondContact O-N 3.37Å; M101-Q103 PolarHBondContact O-N 3.39Å; M101-D104 WeakPolarHBondContact O-CB 3.42Å; M101-D104 PolarHBondContact O-N 3.42Å; M101-D104 VanDerWaalsContact O-N 3.13Å; M101-L105 PolarHBondContact O-N 3.43Å; M101-L115 HydrophobicContact CE-CB 4.22Å; M101-L115 HydrophobicContact CE-CD1 3.72Å; M101-L115 HydrophobicContact CE-CD2 3.48Å; M101-L115 VanDerWaalsContact CE-CD2 3.48Å; M101-L115 HydrophobicContact CE-CG 3.99Å; M101-F117 HydrophobicContact CE-CE1 4.11Å; M101-F117 HydrophobicContact CE-CZ 3.98Å; M101-F117 HydrophobicContact SD-CE1 4.09Å; M101-I129 HydrophobicContact CE-CD1 4.19Å
102	C	97.5	Very high	96.8	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-37.2	173.9	-72.1	0	0	0	0	111.6	I98 D99 R106 A132	I98-C102 WeakPolarHBondContact O-CB 3.41Å; I98-C102 PolarHBondContact O-N 3.01Å; I98-C102 PolarHBondContact O-SG 3.44Å; D99-C102 WeakPolarHBondContact O-CB 3.38Å; D99-C102 PolarHBondContact O-N 3.39Å; C102-R106 WeakPolarHBondContact O-CG 3.04Å; C102-R106 PolarHBondContact O-N 3.29Å; C102-R106 VanDerWaalsContact O-N 3.15Å; C102-A132 HydrophobicContact CB-CB 3.66Å; C102-A132 VanDerWaalsContact SG-CB 3.51Å
103	Q	96.7	Very high	96.9	Very high	88 Å²	88	49.7 Å²	49.7	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-42.7	173.2	-171.7	-176.9	18.5	0	0	112.3	D99 R100 M101 L105 R106 N107	D99-Q103 PolarHBondContact O-N 2.96Å; R100-Q103 WeakPolarHBondContact O-CB 3.3Å; R100-Q103 PolarHBondContact O-N 2.95Å; M101-Q103 PolarHBondContact O-N 3.39Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 3.44Å; Q103-R106 PolarHBondContact O-N 3.48Å; Q103-N107 PolarHBondContact O-N 3.05Å
104	D	96.8	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-36	176.6	-73.6	-10	0	0	0	112.4	R79 Y89 R100 M101 Q108 L109 Y113	R79-D104 IonicContact CZ-OD2 2.71Å; R79-D104 IonicContact NH2-OD1 3.74Å; R79-D104 PolarHBondContact NH2-OD1 3.1Å; R79-D104 IonicContact NH2-OD2 3.86Å; R79-D104 PolarHBondContact NH2-OD2 3.03Å; Y89-D104 WeakPolarHBondContact OH-CB 3.13Å; Y89-D104 PolarHBondContact OH-OD2 3.22Å; R100-D104 IonicContact CZ-OD1 3.39Å; R100-D104 IonicContact NH1-OD1 3.33Å; R100-D104 PolarHBondContact NH1-OD1 3.42Å; R100-D104 IonicContact NH2-OD1 2.88Å; R100-D104 PolarHBondContact O-N 2.91Å; M101-D104 WeakPolarHBondContact O-CB 3.42Å; M101-D104 PolarHBondContact O-N 3.42Å; M101-D104 VanDerWaalsContact O-N 3.13Å; D104-Q108 PolarHBondContact O-N 3.39Å; D104-L109 HydrophobicContact CB-CD1 4.12Å; D104-L109 HydrophobicContact CB-CG 4.43Å; D104-L109 PolarHBondContact O-N 2.87Å; D104-L109 WeakPolarHBondContact OD1-CD1 3.45Å; D104-Y113 HydrophobicContact CB-CE1 4.25Å; D104-Y113 PolarHBondContact O-OH 3.37Å
105	L	96	Very high	97	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-42.1	174.6	-70.8	171.1	0	0	0	112.1	M101 Q103 N107 Q108 Y113 I129 A133 A138 V142	M101-L105 PolarHBondContact O-N 3.43Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 3.44Å; L105-N107 VanDerWaalsContact C-N 3.27Å; L105-N107 PolarHBondContact O-N 3.09Å; L105-Q108 WeakPolarHBondContact O-CG 3.14Å; L105-Q108 PolarHBondContact O-N 3.27Å; L105-Y113 HydrophobicContact CD2-CD1 3.83Å; L105-Y113 HydrophobicContact CD2-CD2 3.72Å; L105-Y113 HydrophobicContact CD2-CE1 3.88Å; L105-Y113 HydrophobicContact CD2-CE2 3.82Å; L105-Y113 HydrophobicContact CD2-CG 3.74Å; L105-Y113 HydrophobicContact CG-CE1 4.46Å; L105-I129 HydrophobicContact CD1-CG2 4.05Å; L105-A133 HydrophobicContact CD1-CB 4.23Å; L105-A138 HydrophobicContact CD2-CB 4.44Å; L105-V142 HydrophobicContact CD1-CG2 4.43Å; L105-V142 HydrophobicContact CD2-CG2 3.8Å
106	R	95.4	Very high	97.1	Very high	153 Å²	153	41.9 Å²	41.9	58%	0.577	20%	0.195	S	C	*	.	H	α-helix	trans	-62.8	-36.3	175.8	-70.3	173.9	-163	145.5	5.3	112.2	C102 Q103 Q108 A136	C102-R106 WeakPolarHBondContact O-CG 3.04Å; C102-R106 PolarHBondContact O-N 3.29Å; C102-R106 VanDerWaalsContact O-N 3.15Å; Q103-R106 PolarHBondContact O-N 3.48Å; R106-Q108 VanDerWaalsContact C-N 3.33Å; R106-A136 HydrophobicContact CG-CB 4.28Å
107	N	95.1	Very high	97.2	Very high	92 Å²	92	35.7 Å²	35.7	49%	0.492	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.9	178.8	-66.7	-11.8	0	0	0	113.2	Q103 L105 L109	Q103-N107 PolarHBondContact O-N 3.05Å; L105-N107 VanDerWaalsContact C-N 3.27Å; L105-N107 PolarHBondContact O-N 3.09Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 HydrophobicContact CB-CD2 3.76Å; N107-L109 HydrophobicContact CB-CG 4.1Å; N107-L109 PolarHBondContact O-N 3.42Å
108	Q	94.6	Very high	97.2	Very high	79 Å²	79	35.4 Å²	35.4	37%	0.369	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	49.9	-178.7	-59	-172.7	22.8	0	0	112.7	D104 L105 R106 Y110 Y113 A136 Q141	D104-Q108 PolarHBondContact O-N 3.39Å; L105-Q108 WeakPolarHBondContact O-CG 3.14Å; L105-Q108 PolarHBondContact O-N 3.27Å; R106-Q108 VanDerWaalsContact C-N 3.33Å; Q108-Y110 PolarHBondContact O-N 3.03Å; Q108-Y113 WeakPolarHBondContact CA-OH 3.48Å; Q108-A136 PolarHBondContact NE2-O 2.94Å; Q108-Q141 VanDerWaalsContact OE1-NE2 3.08Å
109	L	96.3	Very high	97	Very high	8 Å²	8	36 Å²	36	4%	0.042	17%	0.169	C	C	.	.			trans	-62	-23.6	-175.8	-62.2	-171.1	0	0	0	114.5	P81 I82 D104 N107 Y113	P81-L109 HydrophobicContact CB-CD2 4.07Å; P81-L109 HydrophobicContact CG-CD2 3.78Å; I82-L109 CarbonylContact C-O 3.6Å; I82-L109 PolarHBondContact N-O 2.89Å; D104-L109 HydrophobicContact CB-CD1 4.12Å; D104-L109 HydrophobicContact CB-CG 4.43Å; D104-L109 PolarHBondContact O-N 2.87Å; D104-L109 WeakPolarHBondContact OD1-CD1 3.45Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 HydrophobicContact CB-CD2 3.76Å; N107-L109 HydrophobicContact CB-CG 4.1Å; N107-L109 PolarHBondContact O-N 3.42Å; L109-Y113 PolarHBondContact N-OH 3.3Å
110	Y	96.9	Very high	96.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-137.8	160.5	-171.5	-56.3	-66.5	0	0	0	111.7	V44 I46 R79 I82 A87 Y89 Q108 Y113	V44-Y110 HydrophobicContact CB-CE1 4.33Å; V44-Y110 HydrophobicContact CG1-CE1 4.34Å; V44-Y110 HydrophobicContact CG2-CE1 4.32Å; I46-Y110 HydrophobicContact CD1-CE2 4.43Å; I46-Y110 VanDerWaalsContact CD1-OH 3.23Å; I46-Y110 WeakPolarHBondContact CD1-OH 3.33Å; I46-Y110 HydrophobicContact CG1-CE2 4.22Å; R79-Y110 WeakPolarHBondContact CD-OH 3.46Å; I82-Y110 HydrophobicContact CB-CD1 4.3Å; I82-Y110 HydrophobicContact CB-CE1 4.35Å; A87-Y110 HydrophobicContact CB-CD1 3.85Å; A87-Y110 HydrophobicContact CB-CD2 3.4Å; A87-Y110 VanDerWaalsContact CB-CD2 3.4Å; A87-Y110 HydrophobicContact CB-CE1 4.27Å; A87-Y110 HydrophobicContact CB-CE2 3.86Å; A87-Y110 HydrophobicContact CB-CG 3.4Å; Y89-Y110 HydrophobicContact CE2-CD2 4.19Å; Y89-Y110 HydrophobicContact CE2-CE2 4.27Å; Y89-Y110 VanDerWaalsContact OH-CE2 3.27Å; Y89-Y110 WeakPolarHBondContact OH-CE2 3.07Å; Q108-Y110 PolarHBondContact O-N 3.03Å; Y110-Y113 HydrophobicContact CD2-CD1 4.41Å; Y110-Y113 AromaticContact CD2-CE1 3.84Å; Y110-Y113 HydrophobicContact CD2-CE1 3.84Å; Y110-Y113 PolarHBondContact N-OH 3.43Å; Y110-Y113 WeakPolarHBondContact O-CE2 3.2Å
111	E	96.3	Very high	96.7	Very high	105 Å²	105	32.9 Å²	32.9	49%	0.491	16%	0.162	S	C	.	.	S	Bend	trans	-62.4	-46	178.8	-171.5	-167.1	166	0	0	111.5	P83 V85 P86	P83-E111 WeakPolarHBondContact O-CA 3.41Å; P83-E111 WeakPolarHBondContact O-CB 3.41Å; P83-E111 PolarHBondContact O-N 3.43Å; P83-E111 VanDerWaalsContact O-N 3.12Å; V85-E111 PolarHBondContact O-N 2.97Å; P86-E111 WeakPolarHBondContact CD-OE2 3.34Å
112	S	97.3	Very high	96.6	Very high	16 Å²	16	35.4 Å²	35.4	11%	0.112	18%	0.18	C	C	.	.			trans	-149.8	150.1	-178.1	56	0	0	0	0	111.7	P86 A87 Q141	P86-S112 WeakPolarHBondContact CB-OG 3.26Å; A87-S112 PolarHBondContact N-O 3.37Å; S112-Q141 CarbonylContact C-O 3.47Å; S112-Q141 WeakPolarHBondContact CA-O 3.21Å
113	Y	98.1	Very high	96.5	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.3	-172.4	-61.3	-103.8	0	0	0	109.7	Y89 D104 L105 Q108 L109 Y110 Q141 A143	Y89-Y113 HydrophobicContact CD2-CD1 4.44Å; Y89-Y113 AromaticContact CE2-CD1 3.59Å; Y89-Y113 HydrophobicContact CE2-CD1 3.59Å; Y89-Y113 HydrophobicContact CE2-CE1 4.19Å; Y89-Y113 AromaticContact CZ-CD1 3.99Å; D104-Y113 HydrophobicContact CB-CE1 4.25Å; D104-Y113 PolarHBondContact O-OH 3.37Å; L105-Y113 HydrophobicContact CD2-CD1 3.83Å; L105-Y113 HydrophobicContact CD2-CD2 3.72Å; L105-Y113 HydrophobicContact CD2-CE1 3.88Å; L105-Y113 HydrophobicContact CD2-CE2 3.82Å; L105-Y113 HydrophobicContact CD2-CG 3.74Å; L105-Y113 HydrophobicContact CG-CE1 4.46Å; Q108-Y113 WeakPolarHBondContact CA-OH 3.48Å; L109-Y113 PolarHBondContact N-OH 3.3Å; Y110-Y113 HydrophobicContact CD2-CD1 4.41Å; Y110-Y113 AromaticContact CD2-CE1 3.84Å; Y110-Y113 HydrophobicContact CD2-CE1 3.84Å; Y110-Y113 PolarHBondContact N-OH 3.43Å; Y110-Y113 WeakPolarHBondContact O-CE2 3.2Å; Y113-Q141 HydrophobicContact CD2-CB 3.85Å; Y113-Q141 HydrophobicContact CE2-CB 4.03Å; Y113-Q141 PolarHBondContact N-O 3.41Å; Y113-A143 PolarHBondContact O-N 3.22Å
114	Y	98.3	Very high	96.5	Very high	39 Å²	39	43.9 Å²	43.9	15%	0.153	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	98.4	173	-68	-100.2	0	0	0	108.6	F28 P86 A87 Y89 N116 A143 K144	F28-Y114 HydrophobicContact CB-CD1 4.05Å; F28-Y114 HydrophobicContact CB-CE1 3.68Å; F28-Y114 AromaticContact CD1-CD1 3.59Å; F28-Y114 HydrophobicContact CD1-CD1 3.59Å; F28-Y114 AromaticContact CD1-CD2 3.66Å; F28-Y114 HydrophobicContact CD1-CD2 3.66Å; F28-Y114 AromaticContact CD1-CE1 3.48Å; F28-Y114 HydrophobicContact CD1-CE1 3.48Å; F28-Y114 VanDerWaalsContact CD1-CE1 3.48Å; F28-Y114 AromaticContact CD1-CE2 3.53Å; F28-Y114 HydrophobicContact CD1-CE2 3.53Å; F28-Y114 AromaticContact CD1-CG 3.69Å; F28-Y114 HydrophobicContact CD1-CG 3.69Å; F28-Y114 AromaticContact CD1-CZ 3.44Å; F28-Y114 VanDerWaalsContact CD1-CZ 3.44Å; F28-Y114 HydrophobicContact CE1-CD1 4.48Å; F28-Y114 AromaticContact CE1-CD2 3.72Å; F28-Y114 HydrophobicContact CE1-CD2 3.72Å; F28-Y114 HydrophobicContact CE1-CE1 4.32Å; F28-Y114 AromaticContact CE1-CE2 3.52Å; F28-Y114 HydrophobicContact CE1-CE2 3.52Å; F28-Y114 HydrophobicContact CE1-CG 4.21Å; F28-Y114 AromaticContact CE1-CZ 3.84Å; F28-Y114 HydrophobicContact CG-CD1 4.24Å; F28-Y114 AromaticContact CG-CE1 3.83Å; F28-Y114 HydrophobicContact CG-CE1 3.83Å; F28-Y114 HydrophobicContact CG-CE2 4.45Å; F28-Y114 AromaticContact CG-CZ 3.94Å; F28-Y114 HydrophobicContact CZ-CE2 4.44Å; P86-Y114 HydrophobicContact CB-CE2 4.16Å; A87-Y114 PolarHBondContact O-N 3.02Å; Y89-Y114 PolarHBondContact N-O 3.45Å; Y114-N116 PolarHBondContact O-ND2 3.45Å; Y114-N116 VanDerWaalsContact O-ND2 3.09Å; Y114-A143 HydrophobicContact CD1-CB 4.25Å; Y114-A143 HydrophobicContact CD2-CB 4.34Å; Y114-A143 HydrophobicContact CE1-CB 3.85Å; Y114-A143 HydrophobicContact CE2-CB 3.94Å; Y114-A143 HydrophobicContact CG-CB 4.48Å; Y114-K144 HydrophobicContact CD1-CB 3.86Å; Y114-K144 HydrophobicContact CD1-CD 3.99Å; Y114-K144 HydrophobicContact CD1-CG 4.1Å; Y114-K144 HydrophobicContact CE1-CB 4.37Å; Y114-K144 HydrophobicContact CE1-CD 3.92Å; Y114-K144 HydrophobicContact CE1-CG 4.12Å
115	L	98.5	Very high	96.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.6	-172.8	-50.4	-172	0	0	0	110.2	Y89 M101 F117 I129 V142 K144 V145 F146	Y89-L115 HydrophobicContact CD2-CD2 3.99Å; Y89-L115 HydrophobicContact CG-CD2 4.03Å; M101-L115 HydrophobicContact CE-CB 4.22Å; M101-L115 HydrophobicContact CE-CD1 3.72Å; M101-L115 HydrophobicContact CE-CD2 3.48Å; M101-L115 VanDerWaalsContact CE-CD2 3.48Å; M101-L115 HydrophobicContact CE-CG 3.99Å; L115-F117 HydrophobicContact CB-CE2 4.4Å; L115-F117 HydrophobicContact CB-CZ 4.48Å; L115-I129 HydrophobicContact CD1-CD1 4.41Å; L115-I129 HydrophobicContact CD1-CG2 3.95Å; L115-V142 HydrophobicContact CD1-CG1 4.11Å; L115-V142 HydrophobicContact CG-CG1 4.43Å; L115-K144 PolarHBondContact N-O 3.41Å; L115-V145 HydrophobicContact CB-CG1 4.37Å; L115-V145 HydrophobicContact CB-CG2 4.28Å; L115-V145 HydrophobicContact CD1-CG2 4.25Å; L115-V145 CarbonylContact O-C 3.54Å; L115-V145 VanDerWaalsContact O-CA 3.3Å; L115-V145 WeakPolarHBondContact O-CA 3.43Å; L115-F146 PolarHBondContact O-N 2.98Å
116	N	98.6	Very high	96.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115	177.4	-56	-94.1	0	0	0	109.5	M25 N29 Y89 F90 V91 Y114 F146 Q148	M25-N116 HydrophobicContact CG-CB 3.83Å; M25-N116 VanDerWaalsContact CG-CG 3.45Å; M25-N116 WeakPolarHBondContact CG-OD1 3.37Å; M25-N116 HydrophobicContact SD-CB 4.4Å; N29-N116 PolarHBondContact ND2-OD1 2.99Å; N29-N116 PolarHBondContact OD1-OD1 3.27Å; Y89-N116 WeakPolarHBondContact O-CA 3.24Å; Y89-N116 WeakPolarHBondContact O-CB 3.39Å; Y89-N116 PolarHBondContact O-N 3.17Å; Y89-N116 PolarHBondContact O-ND2 3.22Å; F90-N116 VanDerWaalsContact CA-O 3.32Å; F90-N116 WeakPolarHBondContact CA-O 3.39Å; F90-N116 HydrophobicContact CD2-CB 4.39Å; V91-N116 PolarHBondContact N-O 2.84Å; V91-N116 VanDerWaalsContact N-O 3.12Å; Y114-N116 PolarHBondContact O-ND2 3.45Å; Y114-N116 VanDerWaalsContact O-ND2 3.09Å; N116-F146 CarbonylContact C-O 3.57Å; N116-F146 WeakPolarHBondContact CA-O 3.16Å; N116-Q148 HydrophobicContact CB-CG 3.75Å; N116-Q148 PolarHBondContact OD1-NE2 3.32Å
117	F	98.5	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134	176.8	-61.3	-70.7	0	0	0	110.5	V91 P93 I98 M101 L115 S119 I121 I129 V145 F146 Q148	V91-F117 HydrophobicContact CG2-CD1 4.11Å; V91-F117 HydrophobicContact CG2-CE1 4.15Å; V91-F117 WeakPolarHBondContact O-CA 3.26Å; P93-F117 HydrophobicContact CB-CD1 3.89Å; P93-F117 HydrophobicContact CB-CG 4.35Å; I98-F117 HydrophobicContact CD1-CE1 3.72Å; I98-F117 HydrophobicContact CD1-CZ 4.07Å; M101-F117 HydrophobicContact CE-CE1 4.11Å; M101-F117 HydrophobicContact CE-CZ 3.98Å; M101-F117 HydrophobicContact SD-CE1 4.09Å; L115-F117 HydrophobicContact CB-CE2 4.4Å; L115-F117 HydrophobicContact CB-CZ 4.48Å; F117-S119 VanDerWaalsContact C-N 3.27Å; F117-S119 WeakPolarHBondContact CB-O 3.37Å; F117-S119 PolarHBondContact O-N 2.85Å; F117-I121 HydrophobicContact CD1-CD1 4.36Å; F117-I121 HydrophobicContact CD2-CB 3.87Å; F117-I121 HydrophobicContact CD2-CD1 4Å; F117-I121 HydrophobicContact CD2-CG2 3.91Å; F117-I121 HydrophobicContact CE1-CD1 3.87Å; F117-I121 HydrophobicContact CE2-CB 4.2Å; F117-I121 HydrophobicContact CE2-CD1 3.45Å; F117-I121 VanDerWaalsContact CE2-CD1 3.45Å; F117-I121 HydrophobicContact CE2-CG1 4.41Å; F117-I121 HydrophobicContact CE2-CG2 4.15Å; F117-I121 HydrophobicContact CG-CB 4.16Å; F117-I121 HydrophobicContact CG-CD1 4.43Å; F117-I121 HydrophobicContact CZ-CD1 3.4Å; F117-I121 VanDerWaalsContact CZ-CD1 3.4Å; F117-I129 HydrophobicContact CE2-CD1 4.47Å; F117-I129 HydrophobicContact CZ-CD1 3.66Å; F117-V145 HydrophobicContact CD2-CG1 4.28Å; F117-V145 HydrophobicContact CE2-CG1 3.77Å; F117-F146 PolarHBondContact N-O 2.96Å; F117-Q148 WeakPolarHBondContact O-CB 3.43Å; F117-Q148 PolarHBondContact O-N 3.34Å
118	I	97.4	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-61.6	-38.9	-179.8	-68.8	168.3	0	0	0	110.8	F50 I54 F90 V91 M92 Y149 L150 N151	F50-I118 HydrophobicContact CB-CD1 3.84Å; I54-I118 HydrophobicContact CD1-CD1 4.03Å; I54-I118 HydrophobicContact CD1-CG1 4.27Å; I54-I118 HydrophobicContact CD1-CG2 3.66Å; F90-I118 HydrophobicContact CD1-CG1 4.37Å; F90-I118 HydrophobicContact CD2-CG1 3.88Å; F90-I118 HydrophobicContact CE1-CD1 4.31Å; F90-I118 HydrophobicContact CE1-CG1 4.04Å; F90-I118 HydrophobicContact CE2-CB 4.35Å; F90-I118 HydrophobicContact CE2-CG1 3.49Å; F90-I118 VanDerWaalsContact CE2-CG1 3.49Å; F90-I118 HydrophobicContact CG-CG1 4.32Å; F90-I118 HydrophobicContact CZ-CD1 4.32Å; F90-I118 HydrophobicContact CZ-CG1 3.59Å; V91-I118 PolarHBondContact O-N 3.49Å; M92-I118 HydrophobicContact CG-CB 4.39Å; M92-I118 HydrophobicContact CG-CD1 3.92Å; M92-I118 HydrophobicContact SD-CB 3.58Å; M92-I118 VanDerWaalsContact SD-CB 3.58Å; M92-I118 HydrophobicContact SD-CD1 4.16Å; M92-I118 HydrophobicContact SD-CG1 4.45Å; M92-I118 HydrophobicContact SD-CG2 3.52Å; M92-I118 VanDerWaalsContact SD-CG2 3.52Å; I118-Y149 CarbonylContact O-C 3.48Å; I118-Y149 WeakPolarHBondContact O-CA 3.46Å; I118-Y149 PolarHBondContact O-N 2.86Å; I118-L150 PolarHBondContact O-N 3.17Å; I118-N151 HydrophobicContact CG2-CB 3.82Å
119	S	94.6	Very high	97	Very high	14 Å²	14	42 Å²	42	10%	0.098	22%	0.218	C	C	.	.	S	Bend	trans	-125.5	172.7	173.2	63.5	0	0	0	0	110.7	P93 F117 I121	P93-S119 WeakPolarHBondContact CD-OG 3.3Å; P93-S119 WeakPolarHBondContact CG-OG 3.28Å; F117-S119 VanDerWaalsContact C-N 3.27Å; F117-S119 WeakPolarHBondContact CB-O 3.37Å; F117-S119 PolarHBondContact O-N 2.85Å; S119-I121 PolarHBondContact O-N 3.45Å
120	A	93.6	Very high	97	Very high	53 Å²	53	43.9 Å²	43.9	44%	0.438	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-61.2	128.6	-177.2	0	0	0	0	0	112.6	Y149	A120-Y149 HydrophobicContact CB-CE1 4.02Å
121	I	95.9	Very high	97	Very high	26 Å²	26	48.5 Å²	48.5	13%	0.133	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-80.3	143	175.2	-171.4	166.6	0	0	0	111.9	P93 I98 F117 S119 K125 I129 D147	P93-I121 HydrophobicContact CB-CB 4.15Å; P93-I121 HydrophobicContact CB-CG1 4.12Å; I98-I121 HydrophobicContact CD1-CD1 3.75Å; F117-I121 HydrophobicContact CD1-CD1 4.36Å; F117-I121 HydrophobicContact CD2-CB 3.87Å; F117-I121 HydrophobicContact CD2-CD1 4Å; F117-I121 HydrophobicContact CD2-CG2 3.91Å; F117-I121 HydrophobicContact CE1-CD1 3.87Å; F117-I121 HydrophobicContact CE2-CB 4.2Å; F117-I121 HydrophobicContact CE2-CD1 3.45Å; F117-I121 VanDerWaalsContact CE2-CD1 3.45Å; F117-I121 HydrophobicContact CE2-CG1 4.41Å; F117-I121 HydrophobicContact CE2-CG2 4.15Å; F117-I121 HydrophobicContact CG-CB 4.16Å; F117-I121 HydrophobicContact CG-CD1 4.43Å; F117-I121 HydrophobicContact CZ-CD1 3.4Å; F117-I121 VanDerWaalsContact CZ-CD1 3.4Å; S119-I121 PolarHBondContact O-N 3.45Å; I121-K125 HydrophobicContact CD1-CB 3.84Å; I121-K125 HydrophobicContact CG1-CB 3.76Å; I121-I129 HydrophobicContact CD1-CD1 4.11Å; I121-D147 WeakPolarHBondContact CG2-OD1 3.37Å; I121-D147 PolarHBondContact N-OD1 3.21Å; I121-D147 VanDerWaalsContact N-OD1 3.07Å
122	S	96.1	Very high	97	Very high	57 Å²	57	43.8 Å²	43.8	40%	0.399	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-75.6	151.9	173.3	74.2	0	0	0	0	111.6	S124 K125 L126	S122-S124 VanDerWaalsContact C-N 3.27Å; S122-S124 PolarHBondContact O-N 3.14Å; S122-K125 PolarHBondContact O-N 2.92Å; S122-K125 WeakPolarHBondContact OG-CG 3.14Å; S122-K125 PolarHBondContact OG-N 3.38Å; S122-L126 PolarHBondContact O-N 3.47Å; S122-L126 VanDerWaalsContact O-N 3.1Å
123	R	95.8	Very high	97	Very high	197 Å²	197	43.2 Å²	43.2	74%	0.743	24%	0.235	S	C	*	.	H	α-helix	trans	-56.3	-40.9	177.7	-178	174.7	174.9	164.1	4.1	113	K125 L126 E127	R123-K125 PolarHBondContact O-N 3.14Å; R123-L126 WeakPolarHBondContact O-CB 3.26Å; R123-L126 PolarHBondContact O-N 3.24Å; R123-E127 HydrophobicContact CG-CG 4.46Å; R123-E127 WeakPolarHBondContact CG-OE1 3.16Å; R123-E127 IonicContact CZ-OE1 3.7Å; R123-E127 IonicContact NE-OE1 2.87Å; R123-E127 PolarHBondContact NE-OE1 3.17Å; R123-E127 IonicContact NH2-OE1 3.66Å; R123-E127 WeakPolarHBondContact O-CG 3.35Å; R123-E127 PolarHBondContact O-N 3.17Å
124	S	97.5	Very high	97	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-49.7	177.7	-170.8	0	0	0	0	111.6	S122 L126 E127 D128	S122-S124 VanDerWaalsContact C-N 3.27Å; S122-S124 PolarHBondContact O-N 3.14Å; S124-L126 VanDerWaalsContact C-N 3.27Å; S124-L126 PolarHBondContact O-N 3.3Å; S124-E127 WeakPolarHBondContact O-CB 3.49Å; S124-E127 PolarHBondContact O-N 2.81Å; S124-E127 VanDerWaalsContact O-N 3.1Å; S124-D128 VanDerWaalsContact O-CG 3.3Å; S124-D128 PolarHBondContact O-N 3.5Å
125	K	97.8	Very high	96.9	Very high	47 Å²	47	50.7 Å²	50.7	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-32.4	-179.5	-71.6	173.1	175.5	170.9	0	112.3	P93 I98 I121 S122 R123 D128 I129	P93-K125 WeakPolarHBondContact O-CD 3.29Å; P93-K125 WeakPolarHBondContact O-CE 3.3Å; P93-K125 PolarHBondContact O-NZ 3.06Å; I98-K125 HydrophobicContact CD1-CB 4.27Å; I98-K125 HydrophobicContact CG1-CB 4.19Å; I98-K125 HydrophobicContact CG1-CD 4.17Å; I98-K125 HydrophobicContact CG1-CG 4.26Å; I121-K125 HydrophobicContact CD1-CB 3.84Å; I121-K125 HydrophobicContact CG1-CB 3.76Å; S122-K125 PolarHBondContact O-N 2.92Å; S122-K125 WeakPolarHBondContact OG-CG 3.14Å; S122-K125 PolarHBondContact OG-N 3.38Å; R123-K125 PolarHBondContact O-N 3.14Å; K125-D128 PolarHBondContact O-N 3.49Å; K125-I129 PolarHBondContact O-N 3.36Å
126	L	96.9	Very high	96.7	Very high	74 Å²	74	51.2 Å²	51.2	39%	0.387	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-40.7	173.5	-174.2	65.7	0	0	0	111.7	S122 R123 S124 D128 I129 A130 V145	S122-L126 PolarHBondContact O-N 3.47Å; S122-L126 VanDerWaalsContact O-N 3.1Å; R123-L126 WeakPolarHBondContact O-CB 3.26Å; R123-L126 PolarHBondContact O-N 3.24Å; S124-L126 VanDerWaalsContact C-N 3.27Å; S124-L126 PolarHBondContact O-N 3.3Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 2.92Å; L126-I129 PolarHBondContact O-N 3.11Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.31Å; L126-V145 HydrophobicContact CD1-CG1 4.09Å
127	E	97.4	Very high	96.6	Very high	86 Å²	86	55.9 Å²	55.9	40%	0.402	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-37.7	174.4	-72.2	170.7	-176.5	0	0	111.1	R123 S124 A130 N131	R123-E127 HydrophobicContact CG-CG 4.46Å; R123-E127 WeakPolarHBondContact CG-OE1 3.16Å; R123-E127 IonicContact CZ-OE1 3.7Å; R123-E127 IonicContact NE-OE1 2.87Å; R123-E127 PolarHBondContact NE-OE1 3.17Å; R123-E127 IonicContact NH2-OE1 3.66Å; R123-E127 WeakPolarHBondContact O-CG 3.35Å; R123-E127 PolarHBondContact O-N 3.17Å; S124-E127 WeakPolarHBondContact O-CB 3.49Å; S124-E127 PolarHBondContact O-N 2.81Å; S124-E127 VanDerWaalsContact O-N 3.1Å; E127-A130 PolarHBondContact O-N 3.14Å; E127-N131 WeakPolarHBondContact O-CB 3.27Å; E127-N131 PolarHBondContact O-N 3.01Å; E127-N131 PolarHBondContact O-ND2 3.48Å; E127-N131 VanDerWaalsContact O-ND2 3.08Å
128	D	97.2	Very high	96.4	Very high	75 Å²	75	55.9 Å²	55.9	40%	0.401	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-46.5	175	-62.2	-34.8	0	0	0	112.3	I98 S124 K125 L126 N131 A132	I98-D128 HydrophobicContact CG2-CB 4.37Å; S124-D128 VanDerWaalsContact O-CG 3.3Å; S124-D128 PolarHBondContact O-N 3.5Å; K125-D128 PolarHBondContact O-N 3.49Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 2.92Å; D128-N131 PolarHBondContact O-N 3.23Å; D128-A132 WeakPolarHBondContact O-CB 3.46Å; D128-A132 PolarHBondContact O-N 3.03Å
129	I	97.4	Very high	96.2	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-44.3	175.4	-66.4	170.8	0	0	0	110.8	I98 M101 L105 L115 F117 I121 K125 L126 N131 A132 A133	I98-I129 HydrophobicContact CD1-CD1 3.74Å; I98-I129 HydrophobicContact CD1-CG1 4.43Å; I98-I129 HydrophobicContact CG2-CD1 4.38Å; I98-I129 HydrophobicContact CG2-CG1 3.92Å; M101-I129 HydrophobicContact CE-CD1 4.19Å; L105-I129 HydrophobicContact CD1-CG2 4.05Å; L115-I129 HydrophobicContact CD1-CD1 4.41Å; L115-I129 HydrophobicContact CD1-CG2 3.95Å; F117-I129 HydrophobicContact CE2-CD1 4.47Å; F117-I129 HydrophobicContact CZ-CD1 3.66Å; I121-I129 HydrophobicContact CD1-CD1 4.11Å; K125-I129 PolarHBondContact O-N 3.36Å; L126-I129 PolarHBondContact O-N 3.11Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 2.8Å; I129-A132 PolarHBondContact O-N 2.83Å; I129-A133 WeakPolarHBondContact O-CB 3.4Å; I129-A133 PolarHBondContact O-N 2.73Å
130	A	97.1	Very high	96.3	Very high	47 Å²	47	65.2 Å²	65.2	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-44	180	0	0	0	0	0	111.5	L126 E127 A133 L134	L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.31Å; E127-A130 PolarHBondContact O-N 3.14Å; A130-A133 PolarHBondContact O-N 3.46Å; A130-L134 WeakPolarHBondContact O-CB 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.49Å; A130-L134 PolarHBondContact O-N 3.41Å
131	N	97.4	Very high	96.4	Very high	99 Å²	99	64.3 Å²	64.3	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-41.9	176	-71.6	-33.3	0	0	0	111.7	E127 D128 I129 L134 A135	E127-N131 WeakPolarHBondContact O-CB 3.27Å; E127-N131 PolarHBondContact O-N 3.01Å; E127-N131 PolarHBondContact O-ND2 3.48Å; E127-N131 VanDerWaalsContact O-ND2 3.08Å; D128-N131 PolarHBondContact O-N 3.23Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 2.8Å; N131-L134 PolarHBondContact O-N 2.94Å; N131-A135 WeakPolarHBondContact O-CB 3.41Å; N131-A135 PolarHBondContact O-N 2.73Å
132	A	96.8	Very high	96.4	Very high	5 Å²	5	64.7 Å²	64.7	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-64.2	-43	175.9	0	0	0	0	0	112.2	C102 D128 I129 A135 A136	C102-A132 HydrophobicContact CB-CB 3.66Å; C102-A132 VanDerWaalsContact SG-CB 3.51Å; D128-A132 WeakPolarHBondContact O-CB 3.46Å; D128-A132 PolarHBondContact O-N 3.03Å; I129-A132 PolarHBondContact O-N 2.83Å; A132-A135 PolarHBondContact O-N 2.9Å; A132-A136 VanDerWaalsContact O-CB 3.27Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.42Å
133	A	96.8	Very high	96.5	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-40.2	176.6	0	0	0	0	0	112.2	L105 I129 A130 A136 S137 A138 V139 V142	L105-A133 HydrophobicContact CD1-CB 4.23Å; I129-A133 WeakPolarHBondContact O-CB 3.4Å; I129-A133 PolarHBondContact O-N 2.73Å; A130-A133 PolarHBondContact O-N 3.46Å; A133-A136 PolarHBondContact O-N 3.23Å; A133-S137 PolarHBondContact O-N 3.23Å; A133-S137 VanDerWaalsContact O-N 3.16Å; A133-A138 PolarHBondContact O-N 2.71Å; A133-V139 HydrophobicContact CB-CG2 4.22Å; A133-V142 HydrophobicContact CB-CG2 4.2Å
134	L	97.1	Very high	96.5	Very high	113 Å²	113	58.2 Å²	58.2	59%	0.592	35%	0.351	S	S	*	.	H	α-helix	trans	-62.8	-49.5	174.4	-77.2	165.7	0	0	0	111.5	A130 N131 A136 S137 V139	A130-L134 WeakPolarHBondContact O-CB 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.49Å; A130-L134 PolarHBondContact O-N 3.41Å; N131-L134 PolarHBondContact O-N 2.94Å; L134-A136 VanDerWaalsContact C-N 3.27Å; L134-A136 PolarHBondContact O-N 3.47Å; L134-S137 PolarHBondContact O-N 2.97Å; L134-S137 VanDerWaalsContact O-N 3.12Å; L134-V139 HydrophobicContact CB-CG2 4.46Å; L134-V139 HydrophobicContact CD2-CG2 3.69Å; L134-V139 HydrophobicContact CG-CG2 3.95Å
135	A	96.6	Very high	96.5	Very high	83 Å²	83	57.7 Å²	57.7	69%	0.686	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-34.8	179.4	0	0	0	0	0	112.6	N131 A132 S137	N131-A135 WeakPolarHBondContact O-CB 3.41Å; N131-A135 PolarHBondContact O-N 2.73Å; A132-A135 PolarHBondContact O-N 2.9Å; A135-S137 VanDerWaalsContact C-N 3.32Å
136	A	95.1	Very high	96.4	Very high	15 Å²	15	59.1 Å²	59.1	12%	0.124	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.9	178.1	0	0	0	0	0	114.2	R106 Q108 A132 A133 L134 A138	R106-A136 HydrophobicContact CG-CB 4.28Å; Q108-A136 PolarHBondContact NE2-O 2.94Å; A132-A136 VanDerWaalsContact O-CB 3.27Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.42Å; A133-A136 PolarHBondContact O-N 3.23Å; L134-A136 VanDerWaalsContact C-N 3.27Å; L134-A136 PolarHBondContact O-N 3.47Å; A136-A138 HydrophobicContact CB-CB 4.02Å; A136-A138 PolarHBondContact O-N 3.25Å
137	S	95.3	Very high	96.3	Very high	99 Å²	99	58.1 Å²	58.1	69%	0.692	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	31.4	-168.3	-57	0	0	0	0	113.6	A133 L134 A135	A133-S137 PolarHBondContact O-N 3.23Å; A133-S137 VanDerWaalsContact O-N 3.16Å; L134-S137 PolarHBondContact O-N 2.97Å; L134-S137 VanDerWaalsContact O-N 3.12Å; A135-S137 VanDerWaalsContact C-N 3.32Å
138	A	94.4	Very high	96.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.333	C	S	.	.			trans	-105.7	12.2	-175.6	0	0	0	0	0	113	L105 A133 A136 T140 Q141 V142	L105-A138 HydrophobicContact CD2-CB 4.44Å; A133-A138 PolarHBondContact O-N 2.71Å; A136-A138 HydrophobicContact CB-CB 4.02Å; A136-A138 PolarHBondContact O-N 3.25Å; A138-T140 VanDerWaalsContact C-N 3.26Å; A138-T140 PolarHBondContact O-N 3.26Å; A138-Q141 WeakPolarHBondContact O-CA 3.27Å; A138-Q141 WeakPolarHBondContact O-CB 3.45Å; A138-Q141 PolarHBondContact O-N 3.48Å; A138-V142 PolarHBondContact O-N 3.04Å
139	V	94.8	Very high	96.2	Very high	76 Å²	76	53.9 Å²	53.9	46%	0.461	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-55.6	-40.7	-177	-179.5	0	0	0	0	112.2	A133 L134 Q141 V142	A133-V139 HydrophobicContact CB-CG2 4.22Å; L134-V139 HydrophobicContact CB-CG2 4.46Å; L134-V139 HydrophobicContact CD2-CG2 3.69Å; L134-V139 HydrophobicContact CG-CG2 3.95Å; V139-Q141 PolarHBondContact O-N 2.91Å; V139-V142 PolarHBondContact O-N 3.13Å
140	T	94.9	Very high	96.2	Very high	134 Å²	134	53.6 Å²	53.6	82%	0.822	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-71.1	-18	178.3	50.5	0	0	0	0	113.3	A138	A138-T140 VanDerWaalsContact C-N 3.26Å; A138-T140 PolarHBondContact O-N 3.26Å
141	Q	95.8	Very high	96.1	Very high	33 Å²	33	52 Å²	52	15%	0.154	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-82.9	-24.2	177	-57.4	175.4	11.8	0	0	111.2	Q108 S112 Y113 A138 V139 A143	Q108-Q141 VanDerWaalsContact OE1-NE2 3.08Å; S112-Q141 CarbonylContact C-O 3.47Å; S112-Q141 WeakPolarHBondContact CA-O 3.21Å; Y113-Q141 HydrophobicContact CD2-CB 3.85Å; Y113-Q141 HydrophobicContact CE2-CB 4.03Å; Y113-Q141 PolarHBondContact N-O 3.41Å; A138-Q141 WeakPolarHBondContact O-CA 3.27Å; A138-Q141 WeakPolarHBondContact O-CB 3.45Å; A138-Q141 PolarHBondContact O-N 3.48Å; V139-Q141 PolarHBondContact O-N 2.91Å; Q141-A143 PolarHBondContact O-N 2.75Å
142	V	97.2	Very high	96.1	Very high	35 Å²	35	47.3 Å²	47.3	21%	0.212	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	93.2	174.4	-175.8	0	0	0	0	109.6	L105 L115 A133 A138 V139 V145	L105-V142 HydrophobicContact CD1-CG2 4.43Å; L105-V142 HydrophobicContact CD2-CG2 3.8Å; L115-V142 HydrophobicContact CD1-CG1 4.11Å; L115-V142 HydrophobicContact CG-CG1 4.43Å; A133-V142 HydrophobicContact CB-CG2 4.2Å; A138-V142 PolarHBondContact O-N 3.04Å; V139-V142 PolarHBondContact O-N 3.13Å; V142-V145 HydrophobicContact CG1-CG2 3.98Å
143	A	96.6	Very high	96.2	Very high	48 Å²	48	47.2 Å²	47.2	40%	0.397	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-42.5	-171	0	0	0	0	0	113	Y113 Y114 Q141	Y113-A143 PolarHBondContact O-N 3.22Å; Y114-A143 HydrophobicContact CD1-CB 4.25Å; Y114-A143 HydrophobicContact CD2-CB 4.34Å; Y114-A143 HydrophobicContact CE1-CB 3.85Å; Y114-A143 HydrophobicContact CE2-CB 3.94Å; Y114-A143 HydrophobicContact CG-CB 4.48Å; Q141-A143 PolarHBondContact O-N 2.75Å
144	K	96.1	Very high	96.1	Very high	70 Å²	70	47 Å²	47	30%	0.304	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	145.6	-173.4	-74.9	-173.1	-176.9	-175.8	0	111	F28 Y114 L115 F146	F28-K144 PolarHBondContact O-NZ 3.1Å; Y114-K144 HydrophobicContact CD1-CB 3.86Å; Y114-K144 HydrophobicContact CD1-CD 3.99Å; Y114-K144 HydrophobicContact CD1-CG 4.1Å; Y114-K144 HydrophobicContact CE1-CB 4.37Å; Y114-K144 HydrophobicContact CE1-CD 3.92Å; Y114-K144 HydrophobicContact CE1-CG 4.12Å; L115-K144 PolarHBondContact N-O 3.41Å; K144-F146 HydrophobicContact CB-CD2 3.99Å; K144-F146 HydrophobicContact CB-CE2 3.76Å; K144-F146 HydrophobicContact CD-CE2 3.75Å; K144-F146 HydrophobicContact CD-CZ 4.48Å; K144-F146 HydrophobicContact CG-CE2 3.98Å
145	V	97.2	Very high	96.1	Very high	61 Å²	61	41.9 Å²	41.9	37%	0.37	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.4	172.6	-172.2	0	0	0	0	108.8	L115 F117 L126 V142	L115-V145 HydrophobicContact CB-CG1 4.37Å; L115-V145 HydrophobicContact CB-CG2 4.28Å; L115-V145 HydrophobicContact CD1-CG2 4.25Å; L115-V145 CarbonylContact O-C 3.54Å; L115-V145 VanDerWaalsContact O-CA 3.3Å; L115-V145 WeakPolarHBondContact O-CA 3.43Å; F117-V145 HydrophobicContact CD2-CG1 4.28Å; F117-V145 HydrophobicContact CE2-CG1 3.77Å; L126-V145 HydrophobicContact CD1-CG1 4.09Å; V142-V145 HydrophobicContact CG1-CG2 3.98Å
146	F	96.6	Very high	96	Very high	78 Å²	78	38 Å²	38	34%	0.342	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.6	-176.8	-78.6	-100.4	0	0	0	112.3	N29 L115 N116 F117 K144	N29-F146 HydrophobicContact CB-CD1 4.42Å; N29-F146 HydrophobicContact CB-CD2 4.27Å; N29-F146 HydrophobicContact CB-CE1 4.11Å; N29-F146 HydrophobicContact CB-CE2 4.01Å; N29-F146 HydrophobicContact CB-CZ 3.9Å; N29-F146 WeakPolarHBondContact OD1-CD2 3.48Å; L115-F146 PolarHBondContact O-N 2.98Å; N116-F146 CarbonylContact C-O 3.57Å; N116-F146 WeakPolarHBondContact CA-O 3.16Å; F117-F146 PolarHBondContact N-O 2.96Å; K144-F146 HydrophobicContact CB-CD2 3.99Å; K144-F146 HydrophobicContact CB-CE2 3.76Å; K144-F146 HydrophobicContact CD-CE2 3.75Å; K144-F146 HydrophobicContact CD-CZ 4.48Å; K144-F146 HydrophobicContact CG-CE2 3.98Å
147	D	95.8	Very high	95.9	Very high	53 Å²	53	40.6 Å²	40.6	28%	0.283	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.6	160.3	-62.9	-33.5	0	0	0	108.8	I121 Y149	I121-D147 WeakPolarHBondContact CG2-OD1 3.37Å; I121-D147 PolarHBondContact N-OD1 3.21Å; I121-D147 VanDerWaalsContact N-OD1 3.07Å; D147-Y149 HydrophobicContact CB-CD2 4.29Å; D147-Y149 HydrophobicContact CB-CE2 3.74Å
148	Q	95.8	Very high	95.9	Very high	28 Å²	28	37.3 Å²	37.3	13%	0.131	21%	0.205	C	C	.	.			trans	-88.1	-23.8	-175.6	-64.3	-58.3	-46	0	0	113.7	M25 N29 F90 N116 F117 L150	M25-Q148 HydrophobicContact CG-CG 4.24Å; N29-Q148 PolarHBondContact ND2-NE2 3.2Å; F90-Q148 HydrophobicContact CE2-CB 4.34Å; F90-Q148 HydrophobicContact CE2-CG 4.33Å; N116-Q148 HydrophobicContact CB-CG 3.75Å; N116-Q148 PolarHBondContact OD1-NE2 3.32Å; F117-Q148 WeakPolarHBondContact O-CB 3.43Å; F117-Q148 PolarHBondContact O-N 3.34Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 HydrophobicContact CB-CB 4.48Å; Q148-L150 HydrophobicContact CB-CD1 3.95Å; Q148-L150 HydrophobicContact CB-CG 3.89Å; Q148-L150 PolarHBondContact O-N 2.89Å
149	Y	95.6	Very high	96	Very high	43 Å²	43	37.3 Å²	37.3	17%	0.169	21%	0.205	C	C	.	.			trans	54.7	44.8	-175.1	-57.5	-81.2	0	0	0	113.4	I118 A120 D147 F197 C198 V201 T202 L239	I118-Y149 CarbonylContact O-C 3.48Å; I118-Y149 WeakPolarHBondContact O-CA 3.46Å; I118-Y149 PolarHBondContact O-N 2.86Å; A120-Y149 HydrophobicContact CB-CE1 4.02Å; D147-Y149 HydrophobicContact CB-CD2 4.29Å; D147-Y149 HydrophobicContact CB-CE2 3.74Å; Y149-F197 HydrophobicContact CD1-CD1 4.36Å; Y149-F197 HydrophobicContact CD1-CE1 4.18Å; Y149-F197 HydrophobicContact CE1-CD1 4.49Å; Y149-F197 AromaticContact CE1-CE1 3.98Å; Y149-F197 HydrophobicContact CE1-CE1 3.98Å; Y149-C198 CarbonylContact O-C 3.59Å; Y149-C198 VanDerWaalsContact O-CB 3.3Å; Y149-C198 WeakPolarHBondContact O-CB 3.47Å; Y149-C198 VanDerWaalsContact O-O 3.14Å; Y149-V201 HydrophobicContact CD2-CG1 4.06Å; Y149-V201 HydrophobicContact CG-CB 4.42Å; Y149-V201 HydrophobicContact CG-CG1 3.95Å; Y149-T202 PolarHBondContact O-OG1 3.18Å; Y149-T202 VanDerWaalsContact O-OG1 3.13Å; Y149-L239 HydrophobicContact CD1-CD1 4.41Å; Y149-L239 HydrophobicContact CD2-CD1 4.35Å; Y149-L239 HydrophobicContact CE1-CD1 3.85Å; Y149-L239 HydrophobicContact CE2-CD1 3.75Å; Y149-L239 HydrophobicContact CE2-CD2 4.05Å; Y149-L239 VanDerWaalsContact CZ-CD1 3.48Å
150	L	96.7	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.			trans	-112.4	26.4	-178.5	-59.1	177.8	0	0	0	112.7	Q18 A21 L22 I54 F90 I118 Q148 F152 T202	Q18-L150 HydrophobicContact CG-CD2 4.25Å; A21-L150 HydrophobicContact CB-CD1 4.16Å; A21-L150 HydrophobicContact CB-CD2 3.75Å; L22-L150 HydrophobicContact CD2-CD1 3.55Å; L22-L150 HydrophobicContact CG-CD1 3.95Å; I54-L150 VanDerWaalsContact CD1-O 3.29Å; I54-L150 WeakPolarHBondContact CD1-O 3.49Å; F90-L150 HydrophobicContact CE2-CB 4.47Å; F90-L150 HydrophobicContact CE2-CD1 4.24Å; F90-L150 HydrophobicContact CZ-CB 4.19Å; F90-L150 HydrophobicContact CZ-CD1 4.24Å; I118-L150 PolarHBondContact O-N 3.17Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 HydrophobicContact CB-CB 4.48Å; Q148-L150 HydrophobicContact CB-CD1 3.95Å; Q148-L150 HydrophobicContact CB-CG 3.89Å; Q148-L150 PolarHBondContact O-N 2.89Å; L150-F152 PolarHBondContact O-N 3.3Å; L150-T202 HydrophobicContact CD2-CG2 4.37Å
151	N	96.5	Very high	96.2	Very high	14 Å²	14	27.7 Å²	27.7	8%	0.075	15%	0.146	C	C	.	.			trans	-75.6	60.6	-178.2	-165.9	33.8	0	0	0	113.1	I118 S195 C198	I118-N151 HydrophobicContact CG2-CB 3.82Å; N151-S195 PolarHBondContact ND2-OG 3Å; N151-S195 WeakPolarHBondContact O-CA 3.5Å; N151-S195 WeakPolarHBondContact O-CB 3.38Å; N151-C198 HydrophobicContact CB-CB 4.09Å
152	F	97.4	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-165.6	164.1	173	60.6	-81.7	0	0	0	108.6	I14 Q18 L150 T154 F160 V161 C198 F199 T202	I14-F152 HydrophobicContact CD1-CE2 4.37Å; I14-F152 HydrophobicContact CD1-CZ 4.36Å; I14-F152 HydrophobicContact CG1-CE2 4.07Å; Q18-F152 HydrophobicContact CB-CE2 4.31Å; Q18-F152 HydrophobicContact CB-CZ 4.37Å; Q18-F152 HydrophobicContact CG-CE2 4.22Å; Q18-F152 HydrophobicContact CG-CZ 4.23Å; Q18-F152 PolarHBondContact NE2-O 2.86Å; L150-F152 PolarHBondContact O-N 3.3Å; F152-T154 HydrophobicContact CD2-CG2 4.05Å; F152-T154 HydrophobicContact CE2-CG2 3.82Å; F152-F160 HydrophobicContact CB-CD2 4.27Å; F152-F160 HydrophobicContact CD2-CB 4.21Å; F152-V161 CarbonylContact C-O 3.57Å; F152-V161 WeakPolarHBondContact CA-O 3.46Å; F152-C198 HydrophobicContact CD1-CB 4.29Å; F152-F199 HydrophobicContact CD1-CB 4.02Å; F152-F199 HydrophobicContact CD2-CD2 4.2Å; F152-F199 HydrophobicContact CE1-CB 4.22Å; F152-F199 HydrophobicContact CE2-CD2 4.16Å; F152-F199 HydrophobicContact CG-CB 4.28Å; F152-T202 HydrophobicContact CZ-CG2 3.87Å
153	I	97.3	Very high	95.2	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.5	-179	-56.7	166	0	0	0	108.3	D53 I54 P57 L155 F160 V161 N164 L288	D53-I153 HydrophobicContact CB-CD1 3.83Å; I54-I153 HydrophobicContact CG1-CG1 3.94Å; P57-I153 HydrophobicContact CG-CG2 3.8Å; I153-L155 HydrophobicContact CG2-CD2 3.94Å; I153-L155 HydrophobicContact CG2-CG 4.41Å; I153-F160 CarbonylContact O-C 3.52Å; I153-F160 WeakPolarHBondContact O-CA 3.23Å; I153-V161 HydrophobicContact CB-CG2 3.74Å; I153-V161 HydrophobicContact CD1-CG2 4.35Å; I153-V161 HydrophobicContact CG2-CG2 4.37Å; I153-V161 PolarHBondContact N-O 3.4Å; I153-V161 PolarHBondContact O-N 3.04Å; I153-N164 HydrophobicContact CD1-CB 3.76Å; I153-L288 HydrophobicContact CD1-CD2 4.12Å; I153-L288 HydrophobicContact CG2-CD2 4.12Å
154	T	96.2	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.7	172.1	50.7	0	0	0	0	110.6	I14 Q18 L58 F152 M159 F160	I14-T154 HydrophobicContact CB-CG2 4.5Å; I14-T154 HydrophobicContact CG1-CG2 4.06Å; I14-T154 HydrophobicContact CG2-CG2 3.84Å; Q18-T154 VanDerWaalsContact OE1-CG2 3.24Å; Q18-T154 PolarHBondContact OE1-OG1 2.83Å; L58-T154 WeakPolarHBondContact CD2-OG1 3.38Å; F152-T154 HydrophobicContact CD2-CG2 4.05Å; F152-T154 HydrophobicContact CE2-CG2 3.82Å; T154-M159 WeakPolarHBondContact CA-O 3.39Å; T154-F160 HydrophobicContact CG2-CB 4.07Å
155	L	95.2	Very high	94	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-30	179.8	-62.4	178	0	0	0	111.7	R15 P57 I153 M159 V161 L288 N289 L625	R15-L155 PolarHBondContact NH1-O 3.37Å; P57-L155 HydrophobicContact CB-CD2 4.16Å; P57-L155 HydrophobicContact CG-CD2 4.16Å; I153-L155 HydrophobicContact CG2-CD2 3.94Å; I153-L155 HydrophobicContact CG2-CG 4.41Å; L155-M159 PolarHBondContact N-O 3.34Å; L155-V161 HydrophobicContact CD1-CG1 4.26Å; L155-V161 HydrophobicContact CD1-CG2 4.46Å; L155-L288 HydrophobicContact CD2-CD2 4.25Å; L155-N289 PolarHBondContact O-ND2 2.99Å; L155-L625 HydrophobicContact CD1-CD2 3.67Å
156	E	95	Very high	93.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	170.2	174.5	-57.2	-66.5	171.2	0	0	109.8	D158 M159 Q277 K329 Y603	E156-D158 PolarHBondContact O-N 3Å; E156-M159 HydrophobicContact CB-CB 3.66Å; E156-M159 HydrophobicContact CG-CB 4.11Å; E156-M159 HydrophobicContact CG-SD 4.32Å; E156-M159 PolarHBondContact O-N 2.88Å; E156-Q277 PolarHBondContact OE1-NE2 3.14Å; E156-K329 IonicContact OE1-NZ 2.95Å; E156-K329 IonicContact OE2-NZ 3.94Å; E156-K329 PolarHBondContact OE2-NZ 3.42Å; E156-Y603 HydrophobicContact CB-CE2 4.49Å; E156-Y603 WeakPolarHBondContact CB-OH 3.43Å; E156-Y603 HydrophobicContact CG-CE1 3.95Å
157	D	94.2	Very high	92.9	Very high	71 Å²	71	23.9 Å²	23.9	38%	0.38	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.8	178.5	-78.8	-35.9	0	0	0	113.3	S13 I14	S13-D157 WeakPolarHBondContact CB-O 3.46Å; S13-D157 PolarHBondContact OG-OD1 3.42Å; I14-D157 WeakPolarHBondContact CG2-O 3.16Å; I14-D157 PolarHBondContact N-O 2.89Å
158	D	94.6	Very high	92.5	Very high	30 Å²	30	25 Å²	25	16%	0.16	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	22.6	-176.5	59.3	-20.1	0	0	0	112.2	E156 Y603 I618 L619 Y620	E156-D158 PolarHBondContact O-N 3Å; D158-Y603 VanDerWaalsContact OD1-CE2 3.3Å; D158-Y603 WeakPolarHBondContact OD1-CE2 3.42Å; D158-Y603 PolarHBondContact OD1-OH 3.39Å; D158-I618 WeakPolarHBondContact CB-O 3.27Å; D158-L619 CarbonylContact O-C 3.58Å; D158-L619 WeakPolarHBondContact O-CA 3.22Å; D158-Y620 PolarHBondContact O-N 2.61Å
159	M	96.3	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137	178.2	-171.8	-177.8	-173.1	0	0	113.1	T154 L155 E156 V161 Y600 Y603 Y620 L625	T154-M159 WeakPolarHBondContact CA-O 3.39Å; L155-M159 PolarHBondContact N-O 3.34Å; E156-M159 HydrophobicContact CB-CB 3.66Å; E156-M159 HydrophobicContact CG-CB 4.11Å; E156-M159 HydrophobicContact CG-SD 4.32Å; E156-M159 PolarHBondContact O-N 2.88Å; M159-V161 HydrophobicContact CE-CG1 4.4Å; M159-Y600 HydrophobicContact CE-CD1 4.32Å; M159-Y600 HydrophobicContact CE-CE1 4.04Å; M159-Y600 HydrophobicContact SD-CD1 4.22Å; M159-Y600 HydrophobicContact SD-CE1 3.7Å; M159-Y603 HydrophobicContact CB-CD2 4.18Å; M159-Y603 HydrophobicContact CB-CE2 3.96Å; M159-Y603 HydrophobicContact CG-CD2 4.38Å; M159-Y603 HydrophobicContact SD-CD1 4.42Å; M159-Y603 HydrophobicContact SD-CD2 4.33Å; M159-Y603 HydrophobicContact SD-CG 4.18Å; M159-Y620 CarbonylContact C-O 3.59Å; M159-Y620 VanDerWaalsContact CA-O 3.27Å; M159-Y620 WeakPolarHBondContact CA-O 3.45Å; M159-Y620 HydrophobicContact CE-CD1 4.03Å; M159-Y620 HydrophobicContact CE-CE1 4Å; M159-Y620 HydrophobicContact CG-CD1 4.11Å; M159-L625 HydrophobicContact CE-CD1 3.46Å; M159-L625 VanDerWaalsContact CE-CD1 3.46Å; M159-L625 HydrophobicContact CE-CD2 3.71Å; M159-L625 HydrophobicContact CE-CG 4.2Å
160	F	97.4	Very high	92	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.6	169.5	75.3	-70.7	0	0	0	113.3	F152 I153 T154 L162 L196 F199 I591 F593 L619 Y620 G621 C622	F152-F160 HydrophobicContact CB-CD2 4.27Å; F152-F160 HydrophobicContact CD2-CB 4.21Å; I153-F160 CarbonylContact O-C 3.52Å; I153-F160 WeakPolarHBondContact O-CA 3.23Å; T154-F160 HydrophobicContact CG2-CB 4.07Å; F160-L162 HydrophobicContact CD2-CD2 4.12Å; F160-L162 HydrophobicContact CE2-CD2 3.75Å; F160-L196 HydrophobicContact CE2-CD2 3.9Å; F160-L196 HydrophobicContact CZ-CD2 3.86Å; F160-F199 HydrophobicContact CB-CD2 4.43Å; F160-F199 HydrophobicContact CB-CE2 4.44Å; F160-F199 AromaticContact CD1-CD2 3.97Å; F160-F199 HydrophobicContact CD1-CD2 3.97Å; F160-F199 AromaticContact CD1-CE2 3.54Å; F160-F199 HydrophobicContact CD1-CE2 3.54Å; F160-F199 HydrophobicContact CD1-CZ 4.2Å; F160-F199 AromaticContact CD2-CD2 3.72Å; F160-F199 HydrophobicContact CD2-CD2 3.72Å; F160-F199 HydrophobicContact CD2-CE2 4.17Å; F160-F199 HydrophobicContact CD2-CG 4.31Å; F160-F199 HydrophobicContact CE1-CD2 4.04Å; F160-F199 HydrophobicContact CE1-CE1 4.44Å; F160-F199 AromaticContact CE1-CE2 3.62Å; F160-F199 HydrophobicContact CE1-CE2 3.62Å; F160-F199 AromaticContact CE1-CZ 3.87Å; F160-F199 HydrophobicContact CE1-CZ 3.87Å; F160-F199 HydrophobicContact CE2-CB 4.33Å; F160-F199 AromaticContact CE2-CD2 3.81Å; F160-F199 HydrophobicContact CE2-CD2 3.81Å; F160-F199 HydrophobicContact CE2-CE2 4.26Å; F160-F199 HydrophobicContact CE2-CG 4Å; F160-F199 AromaticContact CG-CD2 3.77Å; F160-F199 HydrophobicContact CG-CD2 3.77Å; F160-F199 AromaticContact CG-CE2 3.79Å; F160-F199 HydrophobicContact CG-CE2 3.79Å; F160-F199 HydrophobicContact CZ-CD1 4.32Å; F160-F199 AromaticContact CZ-CD2 3.95Å; F160-F199 HydrophobicContact CZ-CD2 3.95Å; F160-F199 HydrophobicContact CZ-CE1 4.4Å; F160-F199 AromaticContact CZ-CE2 3.97Å; F160-F199 HydrophobicContact CZ-CE2 3.97Å; F160-F199 HydrophobicContact CZ-CG 4.12Å; F160-F199 HydrophobicContact CZ-CZ 4.23Å; F160-I591 HydrophobicContact CE1-CG2 4.12Å; F160-F593 HydrophobicContact CE1-CD2 4.42Å; F160-F593 AromaticContact CE2-CD2 3.91Å; F160-F593 HydrophobicContact CE2-CD2 3.91Å; F160-F593 AromaticContact CE2-CE2 3.97Å; F160-F593 HydrophobicContact CE2-CE2 3.97Å; F160-F593 AromaticContact CZ-CD2 3.59Å; F160-F593 HydrophobicContact CZ-CD2 3.59Å; F160-F593 HydrophobicContact CZ-CE2 4.14Å; F160-L619 HydrophobicContact CD1-CD2 3.24Å; F160-L619 HydrophobicContact CE1-CD2 3.3Å; F160-L619 HydrophobicContact CG-CD2 4.48Å; F160-Y620 VanDerWaalsContact CD1-O 3.32Å; F160-Y620 WeakPolarHBondContact CD1-O 3.49Å; F160-Y620 PolarHBondContact N-O 3.19Å; F160-G621 VanDerWaalsContact CE1-CA 3.41Å; F160-G621 VanDerWaalsContact O-CA 3.25Å; F160-G621 WeakPolarHBondContact O-CA 3.36Å; F160-C622 PolarHBondContact O-N 3.39Å
161	V	96.6	Very high	91.9	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.9	173.6	-55.2	0	0	0	0	108.5	F152 I153 L155 M159 L625	F152-V161 CarbonylContact C-O 3.57Å; F152-V161 WeakPolarHBondContact CA-O 3.46Å; I153-V161 HydrophobicContact CB-CG2 3.74Å; I153-V161 HydrophobicContact CD1-CG2 4.35Å; I153-V161 HydrophobicContact CG2-CG2 4.37Å; I153-V161 PolarHBondContact N-O 3.4Å; I153-V161 PolarHBondContact O-N 3.04Å; L155-V161 HydrophobicContact CD1-CG1 4.26Å; L155-V161 HydrophobicContact CD1-CG2 4.46Å; M159-V161 HydrophobicContact CE-CG1 4.4Å; V161-L625 HydrophobicContact CG1-CB 3.79Å; V161-L625 HydrophobicContact CG1-CD2 4.31Å
162	L	93.4	Very high	91.8	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	-76	-50	-173.9	-60.7	-167.1	0	0	0	112.9	F160 I192 L196 F593 C622	F160-L162 HydrophobicContact CD2-CD2 4.12Å; F160-L162 HydrophobicContact CE2-CD2 3.75Å; L162-I192 HydrophobicContact CD1-CB 4Å; L162-I192 HydrophobicContact CD1-CG1 4Å; L162-I192 HydrophobicContact CD1-CG2 3.82Å; L162-L196 HydrophobicContact CD2-CD2 4.39Å; L162-L196 HydrophobicContact CD2-CG 4.49Å; L162-F593 HydrophobicContact CD1-CE1 4.43Å; L162-F593 HydrophobicContact CD1-CE2 4.04Å; L162-F593 HydrophobicContact CD1-CZ 3.46Å; L162-F593 VanDerWaalsContact CD1-CZ 3.46Å; L162-F593 HydrophobicContact CD2-CE2 3.63Å; L162-F593 HydrophobicContact CD2-CZ 3.97Å; L162-F593 HydrophobicContact CG-CE2 3.72Å; L162-F593 HydrophobicContact CG-CZ 3.64Å; L162-C622 PolarHBondContact N-O 3.46Å
163	C	79.1	Confident	91.7	Very high	17 Å²	17	30.3 Å²	30.3	12%	0.115	15%	0.15	C	C	.	.			trans	-147.1	150.2	179.8	62.9	0	0	0	0	111.7	Q165 V170	C163-Q165 WeakPolarHBondContact CB-O 3.41Å; C163-V170 VanDerWaalsContact SG-CG2 3.54Å
164	N	81.2	Confident	91.5	Very high	44 Å²	44	30.6 Å²	30.6	24%	0.235	15%	0.154	C	C	.	.	S	Bend	trans	-106.2	-42.1	168	178.9	68	0	0	0	110.1	D53 I153 L288	D53-N164 HydrophobicContact CB-CB 4.35Å; D53-N164 WeakPolarHBondContact OD2-CB 3.28Å; D53-N164 PolarHBondContact OD2-ND2 2.95Å; I153-N164 HydrophobicContact CD1-CB 3.76Å; N164-L288 HydrophobicContact CB-CD2 4.21Å
165	Q	86.3	Confident	91.3	Very high	54 Å²	54	31.2 Å²	31.2	25%	0.252	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	139.6	165.6	-59.4	-52.3	-46.2	0	0	111.2	R49 F50 D53 C163 K167	R49-Q165 HydrophobicContact CB-CG 3.75Å; F50-Q165 HydrophobicContact CD1-CB 3.79Å; F50-Q165 HydrophobicContact CD1-CG 4.27Å; F50-Q165 HydrophobicContact CD2-CB 4.27Å; F50-Q165 HydrophobicContact CD2-CG 4.34Å; F50-Q165 HydrophobicContact CE1-CB 3.47Å; F50-Q165 VanDerWaalsContact CE1-CB 3.47Å; F50-Q165 HydrophobicContact CE1-CG 4.4Å; F50-Q165 HydrophobicContact CE2-CB 3.97Å; F50-Q165 HydrophobicContact CE2-CG 4.44Å; F50-Q165 HydrophobicContact CG-CB 4.17Å; F50-Q165 HydrophobicContact CG-CG 4.24Å; F50-Q165 HydrophobicContact CZ-CB 3.56Å; F50-Q165 HydrophobicContact CZ-CG 4.46Å; D53-Q165 VanDerWaalsContact OD2-CG 3.32Å; D53-Q165 WeakPolarHBondContact OD2-CG 3.38Å; D53-Q165 PolarHBondContact OD2-NE2 3.38Å; C163-Q165 WeakPolarHBondContact CB-O 3.41Å; Q165-K167 PolarHBondContact O-N 2.81Å
166	N	85.8	Confident	91.2	Very high	98 Å²	98	33 Å²	33	52%	0.524	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	25.5	179.7	-60.7	-18.5	0	0	0	114.5	E168 L169	N166-E168 PolarHBondContact O-N 3.3Å; N166-L169 HydrophobicContact CB-CD1 3.81Å; N166-L169 HydrophobicContact CB-CG 4.13Å; N166-L169 WeakPolarHBondContact O-CB 3.49Å; N166-L169 WeakPolarHBondContact O-CG 3.37Å; N166-L169 PolarHBondContact O-N 3.4Å
167	K	85.1	Confident	91	Very high	29 Å²	29	35.4 Å²	35.4	13%	0.126	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.9	179.3	65.8	-176.1	-163.4	153.3	0	113.7	Q165 L169 V170 S171 E624	Q165-K167 PolarHBondContact O-N 2.81Å; K167-L169 PolarHBondContact O-N 3.16Å; K167-L169 VanDerWaalsContact O-N 3.14Å; K167-V170 CarbonylContact O-C 3.47Å; K167-V170 WeakPolarHBondContact O-CG2 3.41Å; K167-V170 PolarHBondContact O-N 2.97Å; K167-S171 PolarHBondContact O-N 3.42Å; K167-S171 VanDerWaalsContact O-N 3.14Å; K167-E624 HydrophobicContact CB-CB 4.45Å; K167-E624 HydrophobicContact CB-CG 4.07Å; K167-E624 HydrophobicContact CD-CG 4.06Å; K167-E624 WeakPolarHBondContact CD-OE1 3.43Å; K167-E624 WeakPolarHBondContact CE-OE1 3.31Å; K167-E624 HydrophobicContact CG-CG 4.34Å; K167-E624 WeakPolarHBondContact CG-OE1 3.43Å; K167-E624 IonicContact NZ-OE1 3.04Å; K167-E624 PolarHBondContact NZ-OE1 3.16Å
168	E	86.8	Confident	90.7	Very high	77 Å²	77	38.1 Å²	38.1	36%	0.36	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-56.7	-26.9	173.8	-62	-70.2	177.7	0	0	113.2	N166 S171 A174	N166-E168 PolarHBondContact O-N 3.3Å; E168-S171 WeakPolarHBondContact O-CB 3.41Å; E168-S171 PolarHBondContact O-OG 2.93Å; E168-A174 WeakPolarHBondContact O-CB 3.44Å
169	L	88.7	Confident	90.4	Very high	104 Å²	104	41.5 Å²	41.5	55%	0.545	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-73.3	-26.3	177.9	-61.7	-178.8	0	0	0	113.1	N166 K167 A174 V188	N166-L169 HydrophobicContact CB-CD1 3.81Å; N166-L169 HydrophobicContact CB-CG 4.13Å; N166-L169 WeakPolarHBondContact O-CB 3.49Å; N166-L169 WeakPolarHBondContact O-CG 3.37Å; N166-L169 PolarHBondContact O-N 3.4Å; K167-L169 PolarHBondContact O-N 3.16Å; K167-L169 VanDerWaalsContact O-N 3.14Å; L169-A174 VanDerWaalsContact O-CB 3.28Å; L169-A174 WeakPolarHBondContact O-CB 3.49Å; L169-V188 WeakPolarHBondContact O-CG1 3.48Å; L169-V188 WeakPolarHBondContact O-CG2 3.29Å
170	V	91.8	Very high	90.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-113.9	16.7	179.8	-60.5	0	0	0	0	112.2	C163 K167 V188 T191 I192 S623	C163-V170 VanDerWaalsContact SG-CG2 3.54Å; K167-V170 CarbonylContact O-C 3.47Å; K167-V170 WeakPolarHBondContact O-CG2 3.41Å; K167-V170 PolarHBondContact O-N 2.97Å; V170-V188 HydrophobicContact CG1-CG1 4.32Å; V170-T191 HydrophobicContact CG1-CG2 3.9Å; V170-I192 HydrophobicContact CB-CD1 4.41Å; V170-I192 HydrophobicContact CB-CG1 4.23Å; V170-I192 HydrophobicContact CG1-CG1 3.96Å; V170-S623 WeakPolarHBondContact O-CB 3.16Å; V170-S623 PolarHBondContact O-OG 3.21Å
171	S	94.3	Very high	90.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-74.6	165.1	-177.7	68.9	0	0	0	0	112.4	K167 E168 R173 A174 I175 E624	K167-S171 PolarHBondContact O-N 3.42Å; K167-S171 VanDerWaalsContact O-N 3.14Å; E168-S171 WeakPolarHBondContact O-CB 3.41Å; E168-S171 PolarHBondContact O-OG 2.93Å; S171-R173 PolarHBondContact O-N 2.95Å; S171-A174 PolarHBondContact O-N 3.47Å; S171-A174 PolarHBondContact OG-N 2.81Å; S171-A174 VanDerWaalsContact OG-N 3.07Å; S171-I175 WeakPolarHBondContact O-CG1 3.26Å; S171-I175 PolarHBondContact O-N 3.2Å; S171-E624 WeakPolarHBondContact CB-OE2 3.42Å
172	Y	95.3	Very high	89.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-40.2	172.3	-175.9	-106.4	0	0	0	111.3	I175 N176 R262 N263 L266 Y491 G596 F631 Q634 L635 L638	Y172-I175 PolarHBondContact O-N 2.95Å; Y172-N176 VanDerWaalsContact CD2-ND2 3.35Å; Y172-N176 WeakPolarHBondContact CD2-ND2 3.37Å; Y172-N176 VanDerWaalsContact CE2-ND2 3.3Å; Y172-N176 WeakPolarHBondContact CE2-ND2 3.35Å; Y172-N176 WeakPolarHBondContact O-CB 3.47Å; Y172-N176 PolarHBondContact O-N 3Å; Y172-N176 VanDerWaalsContact O-N 3.11Å; Y172-N176 PolarHBondContact O-ND2 3.24Å; Y172-R262 HydrophobicContact CD2-CB 3.7Å; Y172-R262 HydrophobicContact CD2-CG 3.61Å; Y172-R262 HydrophobicContact CE2-CB 4.01Å; Y172-R262 HydrophobicContact CE2-CG 3.92Å; Y172-R262 HydrophobicContact CG-CG 4.32Å; Y172-N263 WeakPolarHBondContact CE2-OD1 3.3Å; Y172-N263 PolarHBondContact OH-OD1 3.14Å; Y172-L266 HydrophobicContact CE2-CD2 4.13Å; Y172-Y491 AromaticContact CE1-CE1 3.76Å; Y172-Y491 HydrophobicContact CE1-CE1 3.76Å; Y172-Y491 PolarHBondContact OH-OH 3.25Å; Y172-G596 WeakPolarHBondContact CB-O 3.48Å; Y172-F631 AromaticContact CD1-CE2 3.84Å; Y172-F631 HydrophobicContact CD1-CE2 3.84Å; Y172-F631 HydrophobicContact CD1-CZ 4.39Å; Y172-F631 HydrophobicContact CE1-CE2 4.43Å; Y172-F631 AromaticContact CG-CE2 3.96Å; Y172-F631 HydrophobicContact CG-CE2 3.96Å; Y172-Q634 VanDerWaalsContact CB-OE1 3.32Å; Y172-Q634 VanDerWaalsContact N-OE1 3.08Å; Y172-L635 HydrophobicContact CD1-CD2 4.24Å; Y172-L635 HydrophobicContact CE1-CD2 3.87Å; Y172-L638 HydrophobicContact CD1-CD1 3.8Å; Y172-L638 HydrophobicContact CE1-CD1 3.81Å
173	R	94.8	Very high	89.9	Confident	89 Å²	89	57.7 Å²	57.7	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-48.2	175.3	172.2	177.1	176	-101.3	-3.7	112.6	S171 I175 N176 R177 Q634 L638	S171-R173 PolarHBondContact O-N 2.95Å; R173-I175 PolarHBondContact O-N 3.17Å; R173-N176 PolarHBondContact O-N 2.99Å; R173-R177 PolarHBondContact O-N 2.85Å; R173-Q634 HydrophobicContact CB-CB 4.05Å; R173-Q634 HydrophobicContact CB-CG 4.23Å; R173-L638 HydrophobicContact CB-CD1 4.48Å; R173-L638 HydrophobicContact CB-CD2 4.4Å; R173-L638 HydrophobicContact CB-CG 4.27Å; R173-L638 HydrophobicContact CG-CD2 4Å; R173-L638 HydrophobicContact CG-CG 4.17Å
174	A	92.8	Very high	90.7	Very high	11 Å²	11	60.2 Å²	60.2	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-56.9	-39.1	-176.4	0	0	0	0	0	111.7	E168 L169 S171 I180	E168-A174 WeakPolarHBondContact O-CB 3.44Å; L169-A174 VanDerWaalsContact O-CB 3.28Å; L169-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.47Å; S171-A174 PolarHBondContact OG-N 2.81Å; S171-A174 VanDerWaalsContact OG-N 3.07Å; A174-I180 WeakPolarHBondContact O-CD1 3.39Å
175	I	93	Very high	91.2	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-78.4	-29.9	-177.8	-58.9	168.4	0	0	0	112.2	S171 Y172 R173 M185 V188 M189 A216 V595	S171-I175 WeakPolarHBondContact O-CG1 3.26Å; S171-I175 PolarHBondContact O-N 3.2Å; Y172-I175 PolarHBondContact O-N 2.95Å; R173-I175 PolarHBondContact O-N 3.17Å; I175-M185 HydrophobicContact CG2-CE 4.22Å; I175-M185 HydrophobicContact CG2-SD 4.29Å; I175-M185 WeakPolarHBondContact O-CE 3.31Å; I175-V188 HydrophobicContact CG1-CG1 4.02Å; I175-M189 HydrophobicContact CD1-CE 4.29Å; I175-M189 HydrophobicContact CG1-CE 4.11Å; I175-M189 HydrophobicContact CG2-CE 4.25Å; I175-A216 HydrophobicContact CG2-CB 3.82Å; I175-V595 HydrophobicContact CD1-CG1 3.76Å
176	N	92.4	Very high	91.6	Very high	41 Å²	41	61 Å²	61	22%	0.219	32%	0.32	C	S	.	.	H	α-helix	trans	-110.7	6.7	-169.9	-66.6	-87.8	0	0	0	114.7	Y172 R173 N263 Y491 L638	Y172-N176 VanDerWaalsContact CD2-ND2 3.35Å; Y172-N176 WeakPolarHBondContact CD2-ND2 3.37Å; Y172-N176 VanDerWaalsContact CE2-ND2 3.3Å; Y172-N176 WeakPolarHBondContact CE2-ND2 3.35Å; Y172-N176 WeakPolarHBondContact O-CB 3.47Å; Y172-N176 PolarHBondContact O-N 3Å; Y172-N176 VanDerWaalsContact O-N 3.11Å; Y172-N176 PolarHBondContact O-ND2 3.24Å; R173-N176 PolarHBondContact O-N 2.99Å; N176-N263 PolarHBondContact OD1-ND2 3.23Å; N176-Y491 WeakPolarHBondContact CB-OH 3.39Å; N176-L638 HydrophobicContact CB-CD1 4.24Å; N176-L638 HydrophobicContact CB-CD2 4.37Å
177	R	92	Very high	92	Very high	53 Å²	53	60.2 Å²	60.2	20%	0.2	32%	0.319	C	S	.	.			trans	-69.6	139.3	176	68.7	-180	172.1	124.6	-7	110.7	R173 D179 I180 E184 L638	R173-R177 PolarHBondContact O-N 2.85Å; R177-D179 VanDerWaalsContact CB-OD1 3.31Å; R177-D179 WeakPolarHBondContact CB-OD1 3.48Å; R177-D179 VanDerWaalsContact CD-OD1 3.27Å; R177-D179 WeakPolarHBondContact CD-OD1 3.4Å; R177-D179 WeakPolarHBondContact CG-OD1 3.05Å; R177-D179 IonicContact NH1-OD1 2.65Å; R177-D179 IonicContact NH1-OD2 2.81Å; R177-D179 PolarHBondContact NH1-OD2 3.15Å; R177-D179 PolarHBondContact O-N 2.79Å; R177-I180 HydrophobicContact CG-CB 3.73Å; R177-I180 WeakPolarHBondContact O-CG2 3.45Å; R177-I180 PolarHBondContact O-N 3.06Å; R177-E184 IonicContact CZ-OE1 2.66Å; R177-E184 IonicContact CZ-OE2 3.25Å; R177-E184 IonicContact NH1-OE1 2.72Å; R177-E184 IonicContact NH1-OE2 3.16Å; R177-E184 IonicContact NH2-OE1 3.47Å; R177-E184 PolarHBondContact NH2-OE1 3.41Å; R177-E184 IonicContact NH2-OE2 3.57Å; R177-E184 PolarHBondContact NH2-OE2 3.43Å; R177-L638 HydrophobicContact CB-CD2 4.04Å
178	P	86.3	Confident	92.5	Very high	128 Å²	128	59.5 Å²	59.5	83%	0.831	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.4	-173	28.4	-35.7	0	0	0	113.8
179	D	89.5	Confident	92.9	Very high	101 Å²	101	55.9 Å²	55.9	54%	0.54	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.2	-178.4	66	-47	0	0	0	113.4	R177 T181	R177-D179 VanDerWaalsContact CB-OD1 3.31Å; R177-D179 WeakPolarHBondContact CB-OD1 3.48Å; R177-D179 VanDerWaalsContact CD-OD1 3.27Å; R177-D179 WeakPolarHBondContact CD-OD1 3.4Å; R177-D179 WeakPolarHBondContact CG-OD1 3.05Å; R177-D179 IonicContact NH1-OD1 2.65Å; R177-D179 IonicContact NH1-OD2 2.81Å; R177-D179 PolarHBondContact NH1-OD2 3.15Å; R177-D179 PolarHBondContact O-N 2.79Å; D179-T181 PolarHBondContact O-N 3.17Å
180	I	92.3	Very high	93.2	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.179	29%	0.292	C	S	.	.			trans	-64.4	129	179	-161.9	179.5	0	0	0	110.2	A174 R177 E184 M185	A174-I180 WeakPolarHBondContact O-CD1 3.39Å; R177-I180 HydrophobicContact CG-CB 3.73Å; R177-I180 WeakPolarHBondContact O-CG2 3.45Å; R177-I180 PolarHBondContact O-N 3.06Å; I180-E184 HydrophobicContact CG1-CB 3.95Å; I180-M185 HydrophobicContact CD1-CB 3.97Å; I180-M185 HydrophobicContact CD1-CE 3.58Å; I180-M185 HydrophobicContact CD1-SD 3.96Å; I180-M185 HydrophobicContact CG2-CE 3.99Å
181	T	94.1	Very high	93.4	Very high	69 Å²	69	56.7 Å²	56.7	42%	0.423	31%	0.307	S	S	.	.			trans	-83.7	156.4	173	63.3	0	0	0	0	111.2	D179 T183 E184 M185	D179-T181 PolarHBondContact O-N 3.17Å; T181-T183 PolarHBondContact O-N 3.37Å; T181-E184 WeakPolarHBondContact CB-OE2 3.43Å; T181-E184 PolarHBondContact N-OE2 3.45Å; T181-E184 PolarHBondContact O-N 2.99Å; T181-E184 VanDerWaalsContact O-N 3.14Å; T181-E184 WeakPolarHBondContact OG1-CB 3.49Å; T181-E184 VanDerWaalsContact OG1-CD 3.28Å; T181-E184 WeakPolarHBondContact OG1-CG 3.44Å; T181-E184 PolarHBondContact OG1-N 2.77Å; T181-E184 PolarHBondContact OG1-OE2 2.97Å; T181-M185 PolarHBondContact O-N 3.29Å
182	D	92.4	Very high	93.5	Very high	141 Å²	141	56.7 Å²	56.7	75%	0.754	31%	0.307	S	S	*	.	H	α-helix	trans	-55.7	-38.3	175.2	-66.2	-19.9	0	0	0	111.6	M185 E186	D182-M185 WeakPolarHBondContact O-CB 3.45Å; D182-M185 PolarHBondContact O-N 3.14Å; D182-E186 WeakPolarHBondContact O-CB 3.3Å; D182-E186 WeakPolarHBondContact O-CG 3.48Å; D182-E186 PolarHBondContact O-N 3.08Å
183	T	95.1	Very high	93.6	Very high	105 Å²	105	56.9 Å²	56.9	64%	0.644	31%	0.308	S	S	*	.	H	α-helix	trans	-66	-41	178.3	-52.5	0	0	0	0	112.8	T181 E186 T187	T181-T183 PolarHBondContact O-N 3.37Å; T183-E186 PolarHBondContact O-N 3.23Å; T183-T187 PolarHBondContact O-N 2.73Å; T183-T187 PolarHBondContact O-OG1 3.29Å
184	E	93.9	Very high	93.6	Very high	71 Å²	71	55.5 Å²	55.5	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-67.7	-42.2	175.6	-70	165.6	125.4	0	0	110.7	R177 I180 T181 E186 T187 V188	R177-E184 IonicContact CZ-OE1 2.66Å; R177-E184 IonicContact CZ-OE2 3.25Å; R177-E184 IonicContact NH1-OE1 2.72Å; R177-E184 IonicContact NH1-OE2 3.16Å; R177-E184 IonicContact NH2-OE1 3.47Å; R177-E184 PolarHBondContact NH2-OE1 3.41Å; R177-E184 IonicContact NH2-OE2 3.57Å; R177-E184 PolarHBondContact NH2-OE2 3.43Å; I180-E184 HydrophobicContact CG1-CB 3.95Å; T181-E184 WeakPolarHBondContact CB-OE2 3.43Å; T181-E184 PolarHBondContact N-OE2 3.45Å; T181-E184 PolarHBondContact O-N 2.99Å; T181-E184 VanDerWaalsContact O-N 3.14Å; T181-E184 WeakPolarHBondContact OG1-CB 3.49Å; T181-E184 VanDerWaalsContact OG1-CD 3.28Å; T181-E184 WeakPolarHBondContact OG1-CG 3.44Å; T181-E184 PolarHBondContact OG1-N 2.77Å; T181-E184 PolarHBondContact OG1-OE2 2.97Å; E184-E186 VanDerWaalsContact C-N 3.33Å; E184-E186 PolarHBondContact O-N 2.86Å; E184-T187 WeakPolarHBondContact O-CB 3.08Å; E184-T187 PolarHBondContact O-N 3.42Å; E184-T187 VanDerWaalsContact O-N 3.15Å; E184-V188 WeakPolarHBondContact O-CG2 3.18Å; E184-V188 PolarHBondContact O-N 2.97Å
185	M	93.3	Very high	93.8	Very high	29 Å²	29	55.1 Å²	55.1	14%	0.143	30%	0.304	C	S	.	.	H	α-helix	trans	-55.4	-49.5	173.9	-174.6	62.2	79.3	0	0	111.1	I175 I180 T181 D182 T187 V188 M189 M219	I175-M185 HydrophobicContact CG2-CE 4.22Å; I175-M185 HydrophobicContact CG2-SD 4.29Å; I175-M185 WeakPolarHBondContact O-CE 3.31Å; I180-M185 HydrophobicContact CD1-CB 3.97Å; I180-M185 HydrophobicContact CD1-CE 3.58Å; I180-M185 HydrophobicContact CD1-SD 3.96Å; I180-M185 HydrophobicContact CG2-CE 3.99Å; T181-M185 PolarHBondContact O-N 3.29Å; D182-M185 WeakPolarHBondContact O-CB 3.45Å; D182-M185 PolarHBondContact O-N 3.14Å; M185-T187 VanDerWaalsContact C-N 3.29Å; M185-T187 PolarHBondContact O-N 2.92Å; M185-V188 PolarHBondContact O-N 2.84Å; M185-M189 HydrophobicContact CG-CE 4.4Å; M185-M189 VanDerWaalsContact O-CG 3.32Å; M185-M189 WeakPolarHBondContact O-CG 3.31Å; M185-M189 PolarHBondContact O-N 2.85Å; M185-M189 HydrophobicContact SD-CE 3.33Å; M185-M189 WeakPolarHBondContact SD-CE 3.14Å; M185-M219 HydrophobicContact CG-CE 4.39Å; M185-M219 HydrophobicContact CG-SD 3.94Å
186	E	94.3	Very high	94.1	Very high	85 Å²	85	54.5 Å²	54.5	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-57.4	-42.4	177	-72.9	-73.4	127.7	0	0	111.7	D182 T183 E184 M189 D190 K223	D182-E186 WeakPolarHBondContact O-CB 3.3Å; D182-E186 WeakPolarHBondContact O-CG 3.48Å; D182-E186 PolarHBondContact O-N 3.08Å; T183-E186 PolarHBondContact O-N 3.23Å; E184-E186 VanDerWaalsContact C-N 3.33Å; E184-E186 PolarHBondContact O-N 2.86Å; E186-M189 PolarHBondContact O-N 2.89Å; E186-D190 WeakPolarHBondContact O-CB 3.4Å; E186-D190 VanDerWaalsContact O-CG 3.25Å; E186-D190 PolarHBondContact O-N 3.18Å; E186-K223 WeakPolarHBondContact OE2-CE 3.42Å; E186-K223 IonicContact OE2-NZ 2.61Å; E186-K223 PolarHBondContact OE2-NZ 3.18Å
187	T	94.4	Very high	94.3	Very high	81 Å²	81	53 Å²	53	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-42.1	177.8	-56	0	0	0	0	112.2	T183 E184 M185 D190 T191	T183-T187 PolarHBondContact O-N 2.73Å; T183-T187 PolarHBondContact O-OG1 3.29Å; E184-T187 WeakPolarHBondContact O-CB 3.08Å; E184-T187 PolarHBondContact O-N 3.42Å; E184-T187 VanDerWaalsContact O-N 3.15Å; M185-T187 VanDerWaalsContact C-N 3.29Å; M185-T187 PolarHBondContact O-N 2.92Å; T187-D190 PolarHBondContact O-N 3.27Å; T187-T191 PolarHBondContact O-N 3.34Å; T187-T191 PolarHBondContact O-OG1 3.09Å
188	V	94.7	Very high	94.5	Very high	15 Å²	15	50.7 Å²	50.7	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-46.8	175.2	175.1	0	0	0	0	110.3	L169 V170 I175 E184 M185 D190 T191 I192	L169-V188 WeakPolarHBondContact O-CG1 3.48Å; L169-V188 WeakPolarHBondContact O-CG2 3.29Å; V170-V188 HydrophobicContact CG1-CG1 4.32Å; I175-V188 HydrophobicContact CG1-CG1 4.02Å; E184-V188 WeakPolarHBondContact O-CG2 3.18Å; E184-V188 PolarHBondContact O-N 2.97Å; M185-V188 PolarHBondContact O-N 2.84Å; V188-D190 PolarHBondContact O-N 2.67Å; V188-T191 WeakPolarHBondContact O-CB 3.28Å; V188-T191 PolarHBondContact O-N 3.27Å; V188-I192 HydrophobicContact CG1-CD1 4.24Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.88Å; V188-I192 VanDerWaalsContact O-N 3.12Å
189	M	95.4	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-40.5	179.5	-62.4	-51.5	139.5	0	0	112.2	I175 M185 E186 T191 I192 V193 A216 M219 V220 K223	I175-M189 HydrophobicContact CD1-CE 4.29Å; I175-M189 HydrophobicContact CG1-CE 4.11Å; I175-M189 HydrophobicContact CG2-CE 4.25Å; M185-M189 HydrophobicContact CG-CE 4.4Å; M185-M189 VanDerWaalsContact O-CG 3.32Å; M185-M189 WeakPolarHBondContact O-CG 3.31Å; M185-M189 PolarHBondContact O-N 2.85Å; M185-M189 HydrophobicContact SD-CE 3.33Å; M185-M189 WeakPolarHBondContact SD-CE 3.14Å; E186-M189 PolarHBondContact O-N 2.89Å; M189-T191 VanDerWaalsContact C-N 3.32Å; M189-T191 PolarHBondContact O-N 3.04Å; M189-I192 PolarHBondContact O-N 3.11Å; M189-I192 HydrophobicContact SD-CD1 4.44Å; M189-V193 WeakPolarHBondContact O-CB 3.32Å; M189-V193 WeakPolarHBondContact O-CG2 3.2Å; M189-V193 PolarHBondContact O-N 3.42Å; M189-A216 HydrophobicContact CE-CB 3.65Å; M189-A216 HydrophobicContact SD-CB 4.21Å; M189-M219 HydrophobicContact CG-CB 3.97Å; M189-M219 HydrophobicContact CG-SD 4.24Å; M189-M219 HydrophobicContact SD-CB 4.36Å; M189-V220 HydrophobicContact SD-CG2 3.51Å; M189-V220 VanDerWaalsContact SD-CG2 3.51Å; M189-K223 HydrophobicContact CB-CD 3.9Å
190	D	95.3	Very high	95.2	Very high	69 Å²	69	39.8 Å²	39.8	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-40.1	176.6	-73.6	-20.4	0	0	0	111.5	E186 T187 V188 I192 V193 D194 K223	E186-D190 WeakPolarHBondContact O-CB 3.4Å; E186-D190 VanDerWaalsContact O-CG 3.25Å; E186-D190 PolarHBondContact O-N 3.18Å; T187-D190 PolarHBondContact O-N 3.27Å; V188-D190 PolarHBondContact O-N 2.67Å; D190-I192 VanDerWaalsContact C-N 3.34Å; D190-I192 PolarHBondContact O-N 3.45Å; D190-V193 PolarHBondContact O-N 3.21Å; D190-D194 WeakPolarHBondContact O-CB 3.26Å; D190-D194 PolarHBondContact O-N 2.74Å; D190-K223 IonicContact OD1-NZ 2.67Å; D190-K223 PolarHBondContact OD1-NZ 3.05Å; D190-K223 IonicContact OD2-NZ 3.61Å
191	T	95.1	Very high	95.2	Very high	55 Å²	55	39 Å²	39	34%	0.337	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-43.6	174.6	-57	0	0	0	0	111.7	V170 T187 V188 M189 S195	V170-T191 HydrophobicContact CG1-CG2 3.9Å; T187-T191 PolarHBondContact O-N 3.34Å; T187-T191 PolarHBondContact O-OG1 3.09Å; V188-T191 WeakPolarHBondContact O-CB 3.28Å; V188-T191 PolarHBondContact O-N 3.27Å; M189-T191 VanDerWaalsContact C-N 3.32Å; M189-T191 PolarHBondContact O-N 3.04Å; T191-S195 PolarHBondContact O-N 3.15Å; T191-S195 PolarHBondContact O-OG 2.86Å
192	I	97	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-46.9	177.1	-67.8	172.7	0	0	0	110.6	L162 V170 V188 M189 D190 D194 S195 L196 V220 F593 V595	L162-I192 HydrophobicContact CD1-CB 4Å; L162-I192 HydrophobicContact CD1-CG1 4Å; L162-I192 HydrophobicContact CD1-CG2 3.82Å; V170-I192 HydrophobicContact CB-CD1 4.41Å; V170-I192 HydrophobicContact CB-CG1 4.23Å; V170-I192 HydrophobicContact CG1-CG1 3.96Å; V188-I192 HydrophobicContact CG1-CD1 4.24Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.88Å; V188-I192 VanDerWaalsContact O-N 3.12Å; M189-I192 PolarHBondContact O-N 3.11Å; M189-I192 HydrophobicContact SD-CD1 4.44Å; D190-I192 VanDerWaalsContact C-N 3.34Å; D190-I192 PolarHBondContact O-N 3.45Å; I192-D194 PolarHBondContact O-N 3.34Å; I192-S195 PolarHBondContact O-N 3.3Å; I192-L196 HydrophobicContact CG2-CD1 3.92Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.35Å; I192-L196 PolarHBondContact O-N 2.83Å; I192-V220 HydrophobicContact CB-CG2 4.34Å; I192-V220 HydrophobicContact CG2-CG1 3.86Å; I192-V220 HydrophobicContact CG2-CG2 3.82Å; I192-F593 HydrophobicContact CG2-CE1 3.83Å; I192-F593 HydrophobicContact CG2-CZ 4.16Å; I192-V595 HydrophobicContact CD1-CG1 4.14Å
193	V	97.5	Very high	95	Very high	4 Å²	4	31 Å²	31	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-40.9	-178.3	169.5	0	0	0	0	111.6	M189 D190 S195 L196 F197 V220 K223 L224 K227	M189-V193 WeakPolarHBondContact O-CB 3.32Å; M189-V193 WeakPolarHBondContact O-CG2 3.2Å; M189-V193 PolarHBondContact O-N 3.42Å; D190-V193 PolarHBondContact O-N 3.21Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.02Å; V193-L196 PolarHBondContact O-N 2.87Å; V193-F197 VanDerWaalsContact O-CB 3.25Å; V193-F197 WeakPolarHBondContact O-CB 3.38Å; V193-F197 PolarHBondContact O-N 2.95Å; V193-V220 HydrophobicContact CG2-CB 4.46Å; V193-V220 HydrophobicContact CG2-CG1 4.06Å; V193-K223 HydrophobicContact CB-CB 4.46Å; V193-K223 HydrophobicContact CG1-CB 4.24Å; V193-K223 HydrophobicContact CG2-CB 3.61Å; V193-K223 HydrophobicContact CG2-CD 4.38Å; V193-L224 HydrophobicContact CG1-CB 4.28Å; V193-L224 HydrophobicContact CG1-CD1 4.36Å; V193-L224 HydrophobicContact CG2-CB 4.48Å; V193-K227 HydrophobicContact CG1-CB 4.46Å; V193-K227 HydrophobicContact CG1-CD 3.99Å
194	D	95.7	Very high	94.7	Very high	60 Å²	60	26.3 Å²	26.3	32%	0.321	14%	0.144	S	C	.	.	H	α-helix	trans	-62.2	-41.6	177.8	-77.6	-2.2	0	0	0	112.1	D190 I192 F197 C198 K227	D190-D194 WeakPolarHBondContact O-CB 3.26Å; D190-D194 PolarHBondContact O-N 2.74Å; I192-D194 PolarHBondContact O-N 3.34Å; D194-F197 PolarHBondContact O-N 2.88Å; D194-C198 PolarHBondContact O-N 3.01Å; D194-C198 PolarHBondContact O-SG 3.36Å; D194-K227 IonicContact OD1-NZ 3.02Å; D194-K227 PolarHBondContact OD1-NZ 2.88Å
195	S	96.7	Very high	94.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-44.1	178.8	-50.6	0	0	0	0	111.4	N151 T191 I192 V193 F197 C198 F199	N151-S195 PolarHBondContact ND2-OG 3Å; N151-S195 WeakPolarHBondContact O-CA 3.5Å; N151-S195 WeakPolarHBondContact O-CB 3.38Å; T191-S195 PolarHBondContact O-N 3.15Å; T191-S195 PolarHBondContact O-OG 2.86Å; I192-S195 PolarHBondContact O-N 3.3Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.02Å; S195-F197 VanDerWaalsContact C-N 3.31Å; S195-F197 PolarHBondContact O-N 3.41Å; S195-C198 WeakPolarHBondContact O-CB 3.35Å; S195-C198 PolarHBondContact O-N 3.38Å; S195-F199 PolarHBondContact O-N 2.81Å
196	L	97.9	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-38.5	173.1	-75.3	174.9	0	0	0	112.2	F160 L162 I192 V193 F199 F200 V220 L224 L259 F593	F160-L196 HydrophobicContact CE2-CD2 3.9Å; F160-L196 HydrophobicContact CZ-CD2 3.86Å; L162-L196 HydrophobicContact CD2-CD2 4.39Å; L162-L196 HydrophobicContact CD2-CG 4.49Å; I192-L196 HydrophobicContact CG2-CD1 3.92Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.35Å; I192-L196 PolarHBondContact O-N 2.83Å; V193-L196 PolarHBondContact O-N 2.87Å; L196-F199 WeakPolarHBondContact O-CB 3.36Å; L196-F199 PolarHBondContact O-N 3.5Å; L196-F200 WeakPolarHBondContact O-CD2 3.15Å; L196-F200 PolarHBondContact O-N 3.36Å; L196-V220 HydrophobicContact CD1-CG1 3.63Å; L196-L224 HydrophobicContact CB-CD1 4.26Å; L196-L224 HydrophobicContact CB-CD2 4.18Å; L196-L224 HydrophobicContact CD1-CD2 4.19Å; L196-L259 HydrophobicContact CD1-CD2 4.38Å; L196-F593 HydrophobicContact CD1-CD1 4.15Å; L196-F593 HydrophobicContact CD1-CE1 4.21Å; L196-F593 HydrophobicContact CD1-CG 4.47Å; L196-F593 HydrophobicContact CD2-CD1 4.4Å; L196-F593 HydrophobicContact CD2-CD2 3.69Å; L196-F593 HydrophobicContact CD2-CE2 3.91Å; L196-F593 HydrophobicContact CD2-CG 3.95Å; L196-F593 HydrophobicContact CD2-CZ 4.36Å
197	F	96.6	Very high	94.3	Very high	11 Å²	11	18.5 Å²	18.5	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-46.9	174.6	-178.5	-94.9	0	0	0	111	Y149 V193 D194 S195 F199 F200 V201 L224 K227 L228 N231 L239 F240	Y149-F197 HydrophobicContact CD1-CD1 4.36Å; Y149-F197 HydrophobicContact CD1-CE1 4.18Å; Y149-F197 HydrophobicContact CE1-CD1 4.49Å; Y149-F197 AromaticContact CE1-CE1 3.98Å; Y149-F197 HydrophobicContact CE1-CE1 3.98Å; V193-F197 VanDerWaalsContact O-CB 3.25Å; V193-F197 WeakPolarHBondContact O-CB 3.38Å; V193-F197 PolarHBondContact O-N 2.95Å; D194-F197 PolarHBondContact O-N 2.88Å; S195-F197 VanDerWaalsContact C-N 3.31Å; S195-F197 PolarHBondContact O-N 3.41Å; F197-F199 VanDerWaalsContact C-N 3.3Å; F197-F199 PolarHBondContact O-N 3.1Å; F197-F200 PolarHBondContact O-N 3Å; F197-V201 HydrophobicContact CD1-CG2 4.01Å; F197-V201 HydrophobicContact CE1-CG2 3.65Å; F197-V201 HydrophobicContact CZ-CG2 3.94Å; F197-V201 WeakPolarHBondContact O-CG2 3.44Å; F197-V201 PolarHBondContact O-N 3.19Å; F197-L224 HydrophobicContact CB-CD1 4.37Å; F197-K227 HydrophobicContact CB-CD 4.05Å; F197-K227 HydrophobicContact CD2-CD 3.98Å; F197-K227 HydrophobicContact CD2-CG 3.73Å; F197-K227 HydrophobicContact CE2-CG 4Å; F197-K227 HydrophobicContact CG-CD 3.95Å; F197-K227 HydrophobicContact CG-CG 4.21Å; F197-L228 HydrophobicContact CD2-CD2 3.99Å; F197-L228 HydrophobicContact CE2-CD2 4.13Å; F197-N231 HydrophobicContact CE2-CB 4.1Å; F197-N231 HydrophobicContact CZ-CB 4.08Å; F197-L239 HydrophobicContact CE1-CD1 3.9Å; F197-L239 HydrophobicContact CZ-CD1 3.97Å; F197-F240 AromaticContact CE2-CE2 3.98Å; F197-F240 HydrophobicContact CE2-CE2 3.98Å; F197-F240 HydrophobicContact CE2-CZ 4.3Å; F197-F240 HydrophobicContact CZ-CE2 4.3Å
198	C	96.2	Very high	94.3	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-56.6	-43.9	174.2	-70.1	0	0	0	0	112.2	Y149 N151 F152 D194 S195 F200 V201 T202	Y149-C198 CarbonylContact O-C 3.59Å; Y149-C198 VanDerWaalsContact O-CB 3.3Å; Y149-C198 WeakPolarHBondContact O-CB 3.47Å; Y149-C198 VanDerWaalsContact O-O 3.14Å; N151-C198 HydrophobicContact CB-CB 4.09Å; F152-C198 HydrophobicContact CD1-CB 4.29Å; D194-C198 PolarHBondContact O-N 3.01Å; D194-C198 PolarHBondContact O-SG 3.36Å; S195-C198 WeakPolarHBondContact O-CB 3.35Å; S195-C198 PolarHBondContact O-N 3.38Å; C198-F200 PolarHBondContact O-N 3Å; C198-V201 PolarHBondContact O-N 2.64Å; C198-T202 PolarHBondContact O-N 3.04Å; C198-T202 PolarHBondContact O-OG1 3.28Å; C198-T202 VanDerWaalsContact O-OG1 3.14Å
199	F	96.6	Very high	94.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.1	-48.9	174.2	168.7	-87	0	0	0	112	I14 F152 F160 S195 L196 F197 V201 T202 L203 I591 L619	I14-F199 HydrophobicContact CB-CE2 4.41Å; I14-F199 HydrophobicContact CD1-CD2 4.19Å; I14-F199 HydrophobicContact CD1-CE2 3.97Å; I14-F199 HydrophobicContact CG1-CD2 4.07Å; I14-F199 HydrophobicContact CG1-CE2 3.64Å; I14-F199 HydrophobicContact CG1-CZ 4.46Å; F152-F199 HydrophobicContact CD1-CB 4.02Å; F152-F199 HydrophobicContact CD2-CD2 4.2Å; F152-F199 HydrophobicContact CE1-CB 4.22Å; F152-F199 HydrophobicContact CE2-CD2 4.16Å; F152-F199 HydrophobicContact CG-CB 4.28Å; F160-F199 HydrophobicContact CB-CD2 4.43Å; F160-F199 HydrophobicContact CB-CE2 4.44Å; F160-F199 AromaticContact CD1-CD2 3.97Å; F160-F199 HydrophobicContact CD1-CD2 3.97Å; F160-F199 AromaticContact CD1-CE2 3.54Å; F160-F199 HydrophobicContact CD1-CE2 3.54Å; F160-F199 HydrophobicContact CD1-CZ 4.2Å; F160-F199 AromaticContact CD2-CD2 3.72Å; F160-F199 HydrophobicContact CD2-CD2 3.72Å; F160-F199 HydrophobicContact CD2-CE2 4.17Å; F160-F199 HydrophobicContact CD2-CG 4.31Å; F160-F199 HydrophobicContact CE1-CD2 4.04Å; F160-F199 HydrophobicContact CE1-CE1 4.44Å; F160-F199 AromaticContact CE1-CE2 3.62Å; F160-F199 HydrophobicContact CE1-CE2 3.62Å; F160-F199 AromaticContact CE1-CZ 3.87Å; F160-F199 HydrophobicContact CE1-CZ 3.87Å; F160-F199 HydrophobicContact CE2-CB 4.33Å; F160-F199 AromaticContact CE2-CD2 3.81Å; F160-F199 HydrophobicContact CE2-CD2 3.81Å; F160-F199 HydrophobicContact CE2-CE2 4.26Å; F160-F199 HydrophobicContact CE2-CG 4Å; F160-F199 AromaticContact CG-CD2 3.77Å; F160-F199 HydrophobicContact CG-CD2 3.77Å; F160-F199 AromaticContact CG-CE2 3.79Å; F160-F199 HydrophobicContact CG-CE2 3.79Å; F160-F199 HydrophobicContact CZ-CD1 4.32Å; F160-F199 AromaticContact CZ-CD2 3.95Å; F160-F199 HydrophobicContact CZ-CD2 3.95Å; F160-F199 HydrophobicContact CZ-CE1 4.4Å; F160-F199 AromaticContact CZ-CE2 3.97Å; F160-F199 HydrophobicContact CZ-CE2 3.97Å; F160-F199 HydrophobicContact CZ-CG 4.12Å; F160-F199 HydrophobicContact CZ-CZ 4.23Å; S195-F199 PolarHBondContact O-N 2.81Å; L196-F199 WeakPolarHBondContact O-CB 3.36Å; L196-F199 PolarHBondContact O-N 3.5Å; F197-F199 VanDerWaalsContact C-N 3.3Å; F197-F199 PolarHBondContact O-N 3.1Å; F199-V201 PolarHBondContact O-N 3.1Å; F199-T202 PolarHBondContact O-N 3.39Å; F199-L203 HydrophobicContact CE1-CD2 3.95Å; F199-L203 HydrophobicContact CZ-CD2 4.29Å; F199-L203 WeakPolarHBondContact O-CB 3.47Å; F199-L203 PolarHBondContact O-N 3.46Å; F199-I591 HydrophobicContact CE1-CD1 3.89Å; F199-I591 HydrophobicContact CE1-CG1 4.48Å; F199-I591 HydrophobicContact CZ-CD1 4.27Å; F199-I591 HydrophobicContact CZ-CG1 4.45Å; F199-L619 HydrophobicContact CE2-CD1 4.13Å; F199-L619 HydrophobicContact CE2-CD2 3.79Å; F199-L619 HydrophobicContact CZ-CD1 3.82Å; F199-L619 HydrophobicContact CZ-CD2 3.61Å; F199-L619 HydrophobicContact CZ-CG 4.4Å
200	F	94.7	Very high	94.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-33	-179.6	-79.8	-66.1	0	0	0	113.3	L196 F197 C198 L203 G204 A205 P207 L224 F240 L257 I591	L196-F200 WeakPolarHBondContact O-CD2 3.15Å; L196-F200 PolarHBondContact O-N 3.36Å; F197-F200 PolarHBondContact O-N 3Å; C198-F200 PolarHBondContact O-N 3Å; F200-L203 HydrophobicContact CD1-CD2 4.02Å; F200-L203 HydrophobicContact CE1-CD2 4.09Å; F200-L203 PolarHBondContact O-N 2.82Å; F200-G204 PolarHBondContact O-N 3.38Å; F200-A205 VanDerWaalsContact CD1-O 3.28Å; F200-A205 WeakPolarHBondContact CD1-O 3.35Å; F200-A205 PolarHBondContact O-N 2.97Å; F200-P207 HydrophobicContact CD1-CB 4.45Å; F200-P207 HydrophobicContact CD1-CG 4.01Å; F200-P207 HydrophobicContact CD2-CG 4.27Å; F200-P207 HydrophobicContact CE1-CB 3.66Å; F200-P207 HydrophobicContact CE1-CG 3.55Å; F200-P207 HydrophobicContact CE2-CG 3.88Å; F200-P207 HydrophobicContact CG-CG 4.36Å; F200-P207 HydrophobicContact CZ-CB 3.78Å; F200-P207 HydrophobicContact CZ-CG 3.5Å; F200-P207 VanDerWaalsContact CZ-CG 3.5Å; F200-L224 HydrophobicContact CD2-CD2 4.47Å; F200-L224 HydrophobicContact CE2-CD2 4.19Å; F200-F240 HydrophobicContact CB-CE1 4.13Å; F200-F240 HydrophobicContact CB-CZ 4.28Å; F200-F240 WeakPolarHBondContact O-CE1 3.27Å; F200-L257 HydrophobicContact CE2-CD1 4.49Å; F200-L257 HydrophobicContact CE2-CD2 3.73Å; F200-L257 HydrophobicContact CZ-CB 4.18Å; F200-L257 HydrophobicContact CZ-CD1 4.14Å; F200-L257 HydrophobicContact CZ-CD2 3.87Å; F200-L257 HydrophobicContact CZ-CG 4.28Å; F200-I591 HydrophobicContact CE1-CD1 3.47Å; F200-I591 VanDerWaalsContact CE1-CD1 3.47Å; F200-I591 HydrophobicContact CZ-CD1 3.75Å
201	V	92.3	Very high	94.4	Very high	19 Å²	19	12.4 Å²	12.4	12%	0.115	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-46.3	170.8	170.6	0	0	0	0	110.2	Y149 F197 C198 F199 G204 L239 F240	Y149-V201 HydrophobicContact CD2-CG1 4.06Å; Y149-V201 HydrophobicContact CG-CB 4.42Å; Y149-V201 HydrophobicContact CG-CG1 3.95Å; F197-V201 HydrophobicContact CD1-CG2 4.01Å; F197-V201 HydrophobicContact CE1-CG2 3.65Å; F197-V201 HydrophobicContact CZ-CG2 3.94Å; F197-V201 WeakPolarHBondContact O-CG2 3.44Å; F197-V201 PolarHBondContact O-N 3.19Å; C198-V201 PolarHBondContact O-N 2.64Å; F199-V201 PolarHBondContact O-N 3.1Å; V201-G204 PolarHBondContact O-N 3.09Å; V201-L239 HydrophobicContact CG1-CB 4.26Å; V201-L239 HydrophobicContact CG1-CD1 4.33Å; V201-L239 HydrophobicContact CG2-CB 4.1Å; V201-L239 HydrophobicContact CG2-CD1 3.78Å; V201-F240 HydrophobicContact CG2-CE1 4.48Å; V201-F240 HydrophobicContact CG2-CE2 4.32Å; V201-F240 HydrophobicContact CG2-CZ 3.89Å
202	T	91.9	Very high	94.1	Very high	18 Å²	18	10.5 Å²	10.5	11%	0.11	6%	0.06	C	C	.	.	H	α-helix	trans	-67.7	-37	177.5	-58.8	0	0	0	0	112.5	I14 R17 Y149 L150 F152 C198 F199 G204	I14-T202 HydrophobicContact CD1-CG2 4.15Å; R17-T202 HydrophobicContact CB-CG2 4.12Å; Y149-T202 PolarHBondContact O-OG1 3.18Å; Y149-T202 VanDerWaalsContact O-OG1 3.13Å; L150-T202 HydrophobicContact CD2-CG2 4.37Å; F152-T202 HydrophobicContact CZ-CG2 3.87Å; C198-T202 PolarHBondContact O-N 3.04Å; C198-T202 PolarHBondContact O-OG1 3.28Å; C198-T202 VanDerWaalsContact O-OG1 3.14Å; F199-T202 PolarHBondContact O-N 3.39Å; T202-G204 PolarHBondContact O-N 3.21Å
203	L	91.1	Very high	93.8	Very high	23 Å²	23	17.4 Å²	17.4	12%	0.12	9%	0.086	C	C	.	.	H	α-helix	trans	-66.1	-30.2	174.9	-174.4	61.8	0	0	0	111.6	I14 R17 F199 F200 A205 I591	I14-L203 HydrophobicContact CD1-CB 4.21Å; I14-L203 HydrophobicContact CD1-CD1 4.31Å; R17-L203 PolarHBondContact NH1-O 3.21Å; F199-L203 HydrophobicContact CE1-CD2 3.95Å; F199-L203 HydrophobicContact CZ-CD2 4.29Å; F199-L203 WeakPolarHBondContact O-CB 3.47Å; F199-L203 PolarHBondContact O-N 3.46Å; F200-L203 HydrophobicContact CD1-CD2 4.02Å; F200-L203 HydrophobicContact CE1-CD2 4.09Å; F200-L203 PolarHBondContact O-N 2.82Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 HydrophobicContact CD2-CB 4.07Å; L203-A205 HydrophobicContact CG-CB 4.02Å; L203-I591 HydrophobicContact CD2-CD1 3.86Å
204	G	87.5	Confident	93.2	Very high	7 Å²	7	20.8 Å²	20.8	7%	0.072	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	25.8	-176.5	0	0	0	0	0	113	F200 V201 T202	F200-G204 PolarHBondContact O-N 3.38Å; V201-G204 PolarHBondContact O-N 3.09Å; T202-G204 PolarHBondContact O-N 3.21Å
205	A	88.2	Confident	93	Very high	15 Å²	15	19.6 Å²	19.6	12%	0.124	12%	0.117	C	C	.	.			trans	-135.3	143.8	-176.2	0	0	0	0	0	112.1	F200 L203 P255	F200-A205 VanDerWaalsContact CD1-O 3.28Å; F200-A205 WeakPolarHBondContact CD1-O 3.35Å; F200-A205 PolarHBondContact O-N 2.97Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 HydrophobicContact CD2-CB 4.07Å; L203-A205 HydrophobicContact CG-CB 4.02Å; A205-P255 HydrophobicContact CB-CG 3.96Å
206	V	91.1	Very high	92.8	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.03	12%	0.119	C	C	.	.			trans	-103.1	115.7	174	-179.3	0	0	0	0	108.9	L232 F240 R254 P570 K571	V206-L232 HydrophobicContact CG1-CD1 4.1Å; V206-L232 HydrophobicContact CG2-CD1 4.22Å; V206-L232 HydrophobicContact CG2-CD2 4.16Å; V206-F240 HydrophobicContact CG2-CB 4.03Å; V206-F240 HydrophobicContact CG2-CD1 3.59Å; V206-F240 HydrophobicContact CG2-CD2 4.24Å; V206-F240 HydrophobicContact CG2-CE1 4.07Å; V206-F240 HydrophobicContact CG2-CG 3.68Å; V206-R254 PolarHBondContact O-NE 3.49Å; V206-P570 HydrophobicContact CG1-CB 3.76Å; V206-P570 HydrophobicContact CG1-CG 4.11Å; V206-K571 HydrophobicContact CB-CG 4.3Å; V206-K571 HydrophobicContact CG1-CG 4.04Å
207	P	94.3	Very high	92.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.			trans	-75.3	166.1	-173.5	33.7	-38.8	0	0	0	112.6	F200 I209 L228 R254 P255 L257 P570	F200-P207 HydrophobicContact CD1-CB 4.45Å; F200-P207 HydrophobicContact CD1-CG 4.01Å; F200-P207 HydrophobicContact CD2-CG 4.27Å; F200-P207 HydrophobicContact CE1-CB 3.66Å; F200-P207 HydrophobicContact CE1-CG 3.55Å; F200-P207 HydrophobicContact CE2-CG 3.88Å; F200-P207 HydrophobicContact CG-CG 4.36Å; F200-P207 HydrophobicContact CZ-CB 3.78Å; F200-P207 HydrophobicContact CZ-CG 3.5Å; F200-P207 VanDerWaalsContact CZ-CG 3.5Å; P207-I209 HydrophobicContact CG-CG1 4.09Å; P207-L228 HydrophobicContact CG-CD1 4.15Å; P207-R254 PolarHBondContact O-NH2 3.27Å; P207-P255 CarbonylContact C-O 3.54Å; P207-P255 WeakPolarHBondContact CA-O 3.41Å; P207-P255 HydrophobicContact CB-CG 4.46Å; P207-L257 HydrophobicContact CB-CB 3.73Å; P207-L257 HydrophobicContact CG-CB 4.23Å; P207-L257 HydrophobicContact CG-CD2 4.38Å; P207-P570 WeakPolarHBondContact O-CD 3.35Å
208	I	93.9	Very high	92.6	Very high	15 Å²	15	21.2 Å²	21.2	8%	0.077	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.3	154	-73.5	165.3	0	0	0	106.9	R254 P255 L256 L257 Y567 F587	I208-R254 HydrophobicContact CD1-CB 4.47Å; I208-P255 PolarHBondContact N-O 3.44Å; I208-L256 CarbonylContact O-C 3.59Å; I208-L257 PolarHBondContact O-N 2.86Å; I208-Y567 HydrophobicContact CG2-CD2 4.07Å; I208-Y567 HydrophobicContact CG2-CE2 3.38Å; I208-F587 HydrophobicContact CB-CE1 4.35Å; I208-F587 HydrophobicContact CB-CZ 4.42Å; I208-F587 HydrophobicContact CD1-CE1 3.78Å; I208-F587 HydrophobicContact CD1-CZ 4.14Å; I208-F587 HydrophobicContact CG2-CZ 4.21Å
209	I	96.6	Very high	92.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.1	-171.9	-47.8	170.2	0	0	0	110.1	P207 A221 L224 D225 L228 L257 L259 F568 P570	P207-I209 HydrophobicContact CG-CG1 4.09Å; I209-A221 HydrophobicContact CG2-CB 3.94Å; I209-L224 HydrophobicContact CD1-CB 4.48Å; I209-L224 HydrophobicContact CD1-CD2 4.17Å; I209-L224 HydrophobicContact CD1-CG 4.2Å; I209-D225 HydrophobicContact CD1-CB 4.13Å; I209-L228 HydrophobicContact CD1-CD1 4.34Å; I209-L257 CarbonylContact C-O 3.59Å; I209-L257 WeakPolarHBondContact CA-O 3.41Å; I209-L257 HydrophobicContact CG1-CB 4.44Å; I209-L257 HydrophobicContact CG1-CD2 4.13Å; I209-L257 HydrophobicContact CG2-CD2 4.17Å; I209-L257 HydrophobicContact CG2-CG 4.46Å; I209-L259 HydrophobicContact CG2-CD1 3.77Å; I209-L259 HydrophobicContact CG2-CG 4.19Å; I209-F568 HydrophobicContact CB-CB 4.11Å; I209-F568 HydrophobicContact CB-CD2 4.27Å; I209-F568 HydrophobicContact CG2-CD2 4.36Å; I209-F568 PolarHBondContact N-O 3.16Å; I209-F568 PolarHBondContact O-N 2.93Å; I209-P570 HydrophobicContact CD1-CG 4.2Å
210	R	95.9	Very high	92.6	Very high	23 Å²	23	24.5 Å²	24.5	9%	0.087	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134	173.8	-60.5	-70.4	-71.7	157.2	-1.6	109.6	L256 L257 V258 L259 L553 Y565 R566	R210-L256 HydrophobicContact CB-CD1 4.1Å; R210-L256 HydrophobicContact CG-CD1 3.36Å; R210-L257 PolarHBondContact N-O 3.23Å; R210-V258 WeakPolarHBondContact O-CA 3.47Å; R210-L259 PolarHBondContact O-N 2.98Å; R210-L553 HydrophobicContact CB-CD1 4.13Å; R210-Y565 HydrophobicContact CB-CD1 4.41Å; R210-Y565 VanDerWaalsContact CZ-O 3.23Å; R210-Y565 PolarHBondContact NH1-O 3.4Å; R210-Y565 PolarHBondContact NH2-O 3.2Å; R210-Y565 VanDerWaalsContact NH2-O 3.15Å; R210-R566 WeakPolarHBondContact CA-O 3.23Å; R210-R566 WeakPolarHBondContact CD-O 3.34Å; R210-R566 PolarHBondContact NH1-O 2.84Å
211	C	95.1	Very high	92.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.9	178	72.6	0	0	0	0	111.8	A217 A221 L259 Y565 R566	C211-A217 HydrophobicContact CB-CB 4.48Å; C211-A221 HydrophobicContact CB-CB 4.11Å; C211-A221 VanDerWaalsContact SG-CB 3.59Å; C211-L259 WeakPolarHBondContact CA-O 3.48Å; C211-L259 HydrophobicContact CB-CB 3.89Å; C211-Y565 CarbonylContact O-C 3.21Å; C211-Y565 WeakPolarHBondContact O-CA 3.49Å; C211-Y565 WeakPolarHBondContact O-CB 3.39Å; C211-R566 PolarHBondContact O-N 3.32Å
212	S	89.9	Confident	93	Very high	14 Å²	14	26.6 Å²	26.6	10%	0.098	16%	0.155	C	C	.	.			trans	-65.8	154.5	167.3	46.2	0	0	0	0	111.8	T215	S212-T215 PolarHBondContact O-OG1 3.4Å; S212-T215 PolarHBondContact OG-OG1 2.88Å
213	R	89.7	Confident	93.2	Very high	145 Å²	145	27.5 Å²	27.5	55%	0.547	16%	0.157	S	C	.	.	S	Bend	trans	-85.5	152.6	175.5	-65	177.5	-179.5	-135	-0.2	111.6	T215 E218 D564 R566	R213-T215 VanDerWaalsContact C-N 3.29Å; R213-T215 PolarHBondContact O-N 3.05Å; R213-E218 WeakPolarHBondContact CA-OE2 3.46Å; R213-D564 PolarHBondContact NE-O 2.85Å; R213-R566 HydrophobicContact CG-CG 3.78Å
214	G	86.2	Confident	93.6	Very high	76 Å²	76	26.4 Å²	26.4	78%	0.784	15%	0.151	S	C	*	.	S	Bend	trans	67.5	23.8	174.3	0	0	0	0	0	114.4	E218	G214-E218 PolarHBondContact N-OE2 2.74Å
215	T	90.4	Very high	94	Very high	34 Å²	34	26.7 Å²	26.7	21%	0.209	15%	0.151	C	C	.	.	S	Bend	trans	-124.7	163.9	-173.9	55.2	0	0	0	0	111.6	S212 R213 A217 E218 D261	S212-T215 PolarHBondContact O-OG1 3.4Å; S212-T215 PolarHBondContact OG-OG1 2.88Å; R213-T215 VanDerWaalsContact C-N 3.29Å; R213-T215 PolarHBondContact O-N 3.05Å; T215-A217 PolarHBondContact O-N 3.22Å; T215-E218 WeakPolarHBondContact O-CB 3.08Å; T215-E218 PolarHBondContact O-N 2.94Å; T215-D261 HydrophobicContact CG2-CB 4.33Å
216	A	92.4	Very high	94.3	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	17%	0.171	C	C	.	.	H	α-helix	trans	-57.9	-34.1	172.4	0	0	0	0	0	111.5	I175 M189 E218 M219 V220 D261 V595	I175-A216 HydrophobicContact CG2-CB 3.82Å; M189-A216 HydrophobicContact CE-CB 3.65Å; M189-A216 HydrophobicContact SD-CB 4.21Å; A216-E218 PolarHBondContact O-N 3.36Å; A216-M219 PolarHBondContact O-N 3.43Å; A216-M219 VanDerWaalsContact O-N 3.1Å; A216-V220 WeakPolarHBondContact O-CG2 3.27Å; A216-V220 PolarHBondContact O-N 3.17Å; A216-V220 VanDerWaalsContact O-N 3.07Å; A216-D261 WeakPolarHBondContact CB-OD2 3.3Å; A216-D261 PolarHBondContact N-OD2 3.02Å; A216-V595 HydrophobicContact CB-CG1 3.85Å
217	A	94.7	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-33.5	172.5	0	0	0	0	0	113.5	C211 T215 A221 L259 V595	C211-A217 HydrophobicContact CB-CB 4.48Å; T215-A217 PolarHBondContact O-N 3.22Å; A217-A221 WeakPolarHBondContact O-CB 3.47Å; A217-A221 PolarHBondContact O-N 3.43Å; A217-L259 HydrophobicContact CB-CB 4Å; A217-V595 HydrophobicContact CB-CG2 4.28Å
218	E	95.4	Very high	94.4	Very high	41 Å²	41	34.5 Å²	34.5	19%	0.192	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-42	174.6	-175	175.3	-169	0	0	112.2	R213 G214 T215 A216 V220 A221 V222 R566	R213-E218 WeakPolarHBondContact CA-OE2 3.46Å; G214-E218 PolarHBondContact N-OE2 2.74Å; T215-E218 WeakPolarHBondContact O-CB 3.08Å; T215-E218 PolarHBondContact O-N 2.94Å; A216-E218 PolarHBondContact O-N 3.36Å; E218-V220 VanDerWaalsContact C-N 3.32Å; E218-V220 PolarHBondContact O-N 3.36Å; E218-A221 WeakPolarHBondContact O-CB 3.37Å; E218-A221 PolarHBondContact O-N 3.21Å; E218-A221 VanDerWaalsContact O-N 3.15Å; E218-V222 HydrophobicContact CG-CG2 4.37Å; E218-V222 WeakPolarHBondContact O-CG2 3.45Å; E218-V222 PolarHBondContact O-N 3.04Å; E218-R566 WeakPolarHBondContact OE1-CD 3.29Å; E218-R566 IonicContact OE1-CZ 3.66Å; E218-R566 IonicContact OE1-NE 3.11Å; E218-R566 IonicContact OE1-NH1 2.7Å; E218-R566 PolarHBondContact OE1-NH1 2.79Å
219	M	95.9	Very high	94.3	Very high	73 Å²	73	35.6 Å²	35.6	36%	0.36	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-44.4	177.7	-57.3	-176.6	-150.3	0	0	110.7	M185 M189 A216 V222 K223	M185-M219 HydrophobicContact CG-CE 4.39Å; M185-M219 HydrophobicContact CG-SD 3.94Å; M189-M219 HydrophobicContact CG-CB 3.97Å; M189-M219 HydrophobicContact CG-SD 4.24Å; M189-M219 HydrophobicContact SD-CB 4.36Å; A216-M219 PolarHBondContact O-N 3.43Å; A216-M219 VanDerWaalsContact O-N 3.1Å; M219-V222 PolarHBondContact O-N 3.47Å; M219-K223 WeakPolarHBondContact O-CB 3.45Å; M219-K223 WeakPolarHBondContact O-CG 3.38Å; M219-K223 PolarHBondContact O-N 2.9Å
220	V	97.7	Very high	94	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-46.1	172.9	176.9	0	0	0	0	110.7	M189 I192 V193 L196 A216 E218 V222 K223 L224 L259 V595	M189-V220 HydrophobicContact SD-CG2 3.51Å; M189-V220 VanDerWaalsContact SD-CG2 3.51Å; I192-V220 HydrophobicContact CB-CG2 4.34Å; I192-V220 HydrophobicContact CG2-CG1 3.86Å; I192-V220 HydrophobicContact CG2-CG2 3.82Å; V193-V220 HydrophobicContact CG2-CB 4.46Å; V193-V220 HydrophobicContact CG2-CG1 4.06Å; L196-V220 HydrophobicContact CD1-CG1 3.63Å; A216-V220 WeakPolarHBondContact O-CG2 3.27Å; A216-V220 PolarHBondContact O-N 3.17Å; A216-V220 VanDerWaalsContact O-N 3.07Å; E218-V220 VanDerWaalsContact C-N 3.32Å; E218-V220 PolarHBondContact O-N 3.36Å; V220-V222 PolarHBondContact O-N 2.98Å; V220-K223 PolarHBondContact O-N 3.41Å; V220-L224 WeakPolarHBondContact O-CB 3.42Å; V220-L224 PolarHBondContact O-N 2.63Å; V220-L259 HydrophobicContact CB-CD1 4.3Å; V220-L259 HydrophobicContact CG1-CD1 4Å; V220-V595 HydrophobicContact CG2-CG2 4.15Å
221	A	97.8	Very high	93.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-49.1	-179.8	0	0	0	0	0	112.3	I209 C211 A217 E218 D225 L259 F568	I209-A221 HydrophobicContact CG2-CB 3.94Å; C211-A221 HydrophobicContact CB-CB 4.11Å; C211-A221 VanDerWaalsContact SG-CB 3.59Å; A217-A221 WeakPolarHBondContact O-CB 3.47Å; A217-A221 PolarHBondContact O-N 3.43Å; E218-A221 WeakPolarHBondContact O-CB 3.37Å; E218-A221 PolarHBondContact O-N 3.21Å; E218-A221 VanDerWaalsContact O-N 3.15Å; A221-D225 VanDerWaalsContact O-CB 3.23Å; A221-D225 WeakPolarHBondContact O-CB 3.34Å; A221-D225 PolarHBondContact O-N 3.34Å; A221-L259 HydrophobicContact CB-CD1 3.63Å; A221-F568 HydrophobicContact CB-CD2 4.08Å; A221-F568 HydrophobicContact CB-CE2 3.64Å; A221-F568 HydrophobicContact CB-CZ 4.21Å
222	V	96.9	Very high	93.3	Very high	63 Å²	63	42.4 Å²	42.4	38%	0.382	22%	0.22	S	C	.	.	H	α-helix	trans	-64.7	-46.9	-178.1	171.9	0	0	0	0	110.9	E218 M219 V220 K226 F568	E218-V222 HydrophobicContact CG-CG2 4.37Å; E218-V222 WeakPolarHBondContact O-CG2 3.45Å; E218-V222 PolarHBondContact O-N 3.04Å; M219-V222 PolarHBondContact O-N 3.47Å; V220-V222 PolarHBondContact O-N 2.98Å; V222-K226 WeakPolarHBondContact O-CB 3.37Å; V222-K226 PolarHBondContact O-N 3.24Å; V222-F568 HydrophobicContact CG2-CE1 3.86Å; V222-F568 HydrophobicContact CG2-CZ 3.73Å
223	K	97.6	Very high	93	Very high	37 Å²	37	49.7 Å²	49.7	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-42.4	179	-76.1	170.4	170.3	-83.3	0	112	E186 M189 D190 V193 M219 V220 K226 K227	E186-K223 WeakPolarHBondContact OE2-CE 3.42Å; E186-K223 IonicContact OE2-NZ 2.61Å; E186-K223 PolarHBondContact OE2-NZ 3.18Å; M189-K223 HydrophobicContact CB-CD 3.9Å; D190-K223 IonicContact OD1-NZ 2.67Å; D190-K223 PolarHBondContact OD1-NZ 3.05Å; D190-K223 IonicContact OD2-NZ 3.61Å; V193-K223 HydrophobicContact CB-CB 4.46Å; V193-K223 HydrophobicContact CG1-CB 4.24Å; V193-K223 HydrophobicContact CG2-CB 3.61Å; V193-K223 HydrophobicContact CG2-CD 4.38Å; M219-K223 WeakPolarHBondContact O-CB 3.45Å; M219-K223 WeakPolarHBondContact O-CG 3.38Å; M219-K223 PolarHBondContact O-N 2.9Å; V220-K223 PolarHBondContact O-N 3.41Å; K223-K226 PolarHBondContact O-N 3.12Å; K223-K227 WeakPolarHBondContact O-CB 3.19Å; K223-K227 PolarHBondContact O-N 3.44Å
224	L	97.8	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-44.5	177.7	-178.6	61.8	0	0	0	111.7	V193 L196 F197 F200 I209 V220 K226 K227 L228 L257	V193-L224 HydrophobicContact CG1-CB 4.28Å; V193-L224 HydrophobicContact CG1-CD1 4.36Å; V193-L224 HydrophobicContact CG2-CB 4.48Å; L196-L224 HydrophobicContact CB-CD1 4.26Å; L196-L224 HydrophobicContact CB-CD2 4.18Å; L196-L224 HydrophobicContact CD1-CD2 4.19Å; F197-L224 HydrophobicContact CB-CD1 4.37Å; F200-L224 HydrophobicContact CD2-CD2 4.47Å; F200-L224 HydrophobicContact CE2-CD2 4.19Å; I209-L224 HydrophobicContact CD1-CB 4.48Å; I209-L224 HydrophobicContact CD1-CD2 4.17Å; I209-L224 HydrophobicContact CD1-CG 4.2Å; V220-L224 WeakPolarHBondContact O-CB 3.42Å; V220-L224 PolarHBondContact O-N 2.63Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 2.71Å; L224-K227 PolarHBondContact O-N 2.96Å; L224-L228 HydrophobicContact CD1-CD1 4.13Å; L224-L228 HydrophobicContact CD1-CG 4.14Å; L224-L228 HydrophobicContact CG-CD1 3.92Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 3.5Å; L224-L257 HydrophobicContact CD2-CD2 3.62Å
225	D	95.9	Very high	91.7	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.064	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-46.9	174.5	175.7	73.2	0	0	0	110.9	I209 A221 L228 R229 F568 P570	I209-D225 HydrophobicContact CD1-CB 4.13Å; A221-D225 VanDerWaalsContact O-CB 3.23Å; A221-D225 WeakPolarHBondContact O-CB 3.34Å; A221-D225 PolarHBondContact O-N 3.34Å; D225-L228 PolarHBondContact O-N 2.98Å; D225-R229 WeakPolarHBondContact O-CB 3.36Å; D225-R229 VanDerWaalsContact O-CG 3.22Å; D225-R229 WeakPolarHBondContact O-CG 3.42Å; D225-R229 PolarHBondContact O-N 3.46Å; D225-R229 IonicContact OD1-CZ 3.35Å; D225-R229 IonicContact OD1-NE 2.91Å; D225-R229 PolarHBondContact OD1-NE 2.86Å; D225-R229 VanDerWaalsContact OD1-NE 3.11Å; D225-R229 IonicContact OD1-NH2 2.91Å; D225-R229 PolarHBondContact OD1-NH2 3.43Å; D225-R229 IonicContact OD2-CZ 3.46Å; D225-R229 IonicContact OD2-NE 2.74Å; D225-R229 PolarHBondContact OD2-NE 3.32Å; D225-R229 IonicContact OD2-NH2 3.34Å; D225-R229 PolarHBondContact OD2-NH2 3.25Å; D225-F568 HydrophobicContact CB-CB 4.06Å; D225-F568 HydrophobicContact CB-CD1 4.15Å; D225-F568 HydrophobicContact CB-CG 4.3Å; D225-P570 WeakPolarHBondContact OD1-CD 3.36Å; D225-P570 WeakPolarHBondContact OD1-CG 3.44Å
226	K	95	Very high	90.5	Very high	123 Å²	123	56.2 Å²	56.2	54%	0.535	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-51.5	174.6	-179	-178.2	172.9	-173.6	0	111.8	V222 K223 L224 L228 R229 E230	V222-K226 WeakPolarHBondContact O-CB 3.37Å; V222-K226 PolarHBondContact O-N 3.24Å; K223-K226 PolarHBondContact O-N 3.12Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 2.71Å; K226-L228 PolarHBondContact O-N 3.35Å; K226-R229 PolarHBondContact O-N 3.2Å; K226-E230 WeakPolarHBondContact CE-OE1 3.47Å; K226-E230 WeakPolarHBondContact O-CG 3.37Å; K226-E230 PolarHBondContact O-N 2.66Å
227	K	94.6	Very high	89.5	Confident	62 Å²	62	61 Å²	61	27%	0.27	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-40.6	-178.2	-171.2	167.3	-178.5	148.4	0	112.6	V193 D194 F197 K223 L224 N231	V193-K227 HydrophobicContact CG1-CB 4.46Å; V193-K227 HydrophobicContact CG1-CD 3.99Å; D194-K227 IonicContact OD1-NZ 3.02Å; D194-K227 PolarHBondContact OD1-NZ 2.88Å; F197-K227 HydrophobicContact CB-CD 4.05Å; F197-K227 HydrophobicContact CD2-CD 3.98Å; F197-K227 HydrophobicContact CD2-CG 3.73Å; F197-K227 HydrophobicContact CE2-CG 4Å; F197-K227 HydrophobicContact CG-CD 3.95Å; F197-K227 HydrophobicContact CG-CG 4.21Å; K223-K227 WeakPolarHBondContact O-CB 3.19Å; K223-K227 PolarHBondContact O-N 3.44Å; L224-K227 PolarHBondContact O-N 2.96Å; K227-N231 PolarHBondContact O-N 3.45Å; K227-N231 VanDerWaalsContact O-N 3.14Å
228	L	93.1	Very high	88.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.4	-44	174.9	-71.7	170	0	0	0	111.7	F197 P207 I209 L224 D225 K226 E230 N231 L232 F240 P570	F197-L228 HydrophobicContact CD2-CD2 3.99Å; F197-L228 HydrophobicContact CE2-CD2 4.13Å; P207-L228 HydrophobicContact CG-CD1 4.15Å; I209-L228 HydrophobicContact CD1-CD1 4.34Å; L224-L228 HydrophobicContact CD1-CD1 4.13Å; L224-L228 HydrophobicContact CD1-CG 4.14Å; L224-L228 HydrophobicContact CG-CD1 3.92Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 3.5Å; D225-L228 PolarHBondContact O-N 2.98Å; K226-L228 PolarHBondContact O-N 3.35Å; L228-E230 PolarHBondContact O-N 3.27Å; L228-N231 PolarHBondContact O-N 3.29Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 3.18Å; L228-F240 HydrophobicContact CD2-CE1 4.34Å; L228-F240 HydrophobicContact CD2-CE2 3.77Å; L228-F240 HydrophobicContact CD2-CZ 3.47Å; L228-F240 VanDerWaalsContact CD2-CZ 3.47Å; L228-P570 HydrophobicContact CB-CB 3.74Å; L228-P570 HydrophobicContact CB-CG 4.12Å; L228-P570 HydrophobicContact CD1-CB 4.29Å; L228-P570 HydrophobicContact CD1-CG 3.8Å
229	R	91.3	Very high	88.1	Confident	37 Å²	37	61.2 Å²	61.2	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-43.2	176.6	-74.1	172	-170.6	-67.9	-9.1	112.4	D225 K226 L232 R233 D569 P570 M572	D225-R229 WeakPolarHBondContact O-CB 3.36Å; D225-R229 VanDerWaalsContact O-CG 3.22Å; D225-R229 WeakPolarHBondContact O-CG 3.42Å; D225-R229 PolarHBondContact O-N 3.46Å; D225-R229 IonicContact OD1-CZ 3.35Å; D225-R229 IonicContact OD1-NE 2.91Å; D225-R229 PolarHBondContact OD1-NE 2.86Å; D225-R229 VanDerWaalsContact OD1-NE 3.11Å; D225-R229 IonicContact OD1-NH2 2.91Å; D225-R229 PolarHBondContact OD1-NH2 3.43Å; D225-R229 IonicContact OD2-CZ 3.46Å; D225-R229 IonicContact OD2-NE 2.74Å; D225-R229 PolarHBondContact OD2-NE 3.32Å; D225-R229 IonicContact OD2-NH2 3.34Å; D225-R229 PolarHBondContact OD2-NH2 3.25Å; K226-R229 PolarHBondContact O-N 3.2Å; R229-L232 PolarHBondContact O-N 3.43Å; R229-R233 VanDerWaalsContact O-CG 3.28Å; R229-R233 WeakPolarHBondContact O-CG 3.42Å; R229-R233 PolarHBondContact O-N 2.96Å; R229-D569 VanDerWaalsContact CZ-O 3.26Å; R229-D569 PolarHBondContact NH1-O 3.48Å; R229-D569 PolarHBondContact NH2-O 3.05Å; R229-P570 HydrophobicContact CG-CB 4.25Å; R229-P570 WeakPolarHBondContact CG-O 3.39Å; R229-M572 PolarHBondContact NH1-O 3.14Å
230	E	90.4	Very high	87.3	Confident	106 Å²	106	58.3 Å²	58.3	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-45	178.6	-74.7	172.2	174	0	0	110.9	K226 L228 L232 R233 D234	K226-E230 WeakPolarHBondContact CE-OE1 3.47Å; K226-E230 WeakPolarHBondContact O-CG 3.37Å; K226-E230 PolarHBondContact O-N 2.66Å; L228-E230 PolarHBondContact O-N 3.27Å; E230-L232 PolarHBondContact O-N 3.49Å; E230-R233 PolarHBondContact O-N 3.33Å; E230-D234 PolarHBondContact O-N 3.03Å
231	N	89.3	Confident	85.6	Confident	28 Å²	28	62.4 Å²	62.4	15%	0.15	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-38.8	175.9	-170.3	-100.7	0	0	0	112.8	F197 K227 L228 R233 D234 S238 L239 F240	F197-N231 HydrophobicContact CE2-CB 4.1Å; F197-N231 HydrophobicContact CZ-CB 4.08Å; K227-N231 PolarHBondContact O-N 3.45Å; K227-N231 VanDerWaalsContact O-N 3.14Å; L228-N231 PolarHBondContact O-N 3.29Å; N231-R233 VanDerWaalsContact C-N 3.31Å; N231-R233 PolarHBondContact O-N 2.87Å; N231-D234 PolarHBondContact O-N 3.25Å; N231-S238 WeakPolarHBondContact O-CB 3.37Å; N231-L239 PolarHBondContact OD1-N 3.02Å; N231-F240 HydrophobicContact CB-CE2 4.47Å; N231-F240 VanDerWaalsContact OD1-CD2 3.24Å; N231-F240 WeakPolarHBondContact OD1-CD2 3.32Å
232	L	86.7	Confident	83.4	Confident	33 Å²	33	63.8 Å²	63.8	17%	0.173	32%	0.318	C	S	.	.	H	α-helix	trans	-69.8	-25.2	177.8	-72.6	170.8	0	0	0	113.8	V206 L228 R229 E230 F240 P570 K571	V206-L232 HydrophobicContact CG1-CD1 4.1Å; V206-L232 HydrophobicContact CG2-CD1 4.22Å; V206-L232 HydrophobicContact CG2-CD2 4.16Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 3.18Å; R229-L232 PolarHBondContact O-N 3.43Å; E230-L232 PolarHBondContact O-N 3.49Å; L232-F240 HydrophobicContact CD2-CB 4.03Å; L232-F240 HydrophobicContact CD2-CD2 4.33Å; L232-F240 HydrophobicContact CD2-CG 4.47Å; L232-P570 HydrophobicContact CD1-CB 4.36Å; L232-K571 HydrophobicContact CD1-CG 4.2Å
233	R	85.3	Confident	80.9	Confident	167 Å²	167	69 Å²	69	63%	0.63	34%	0.344	S	S	*	.	H	α-helix	trans	-73.5	-29.8	176.1	-77.1	173.1	178.2	-167.8	0.5	112	R229 E230 N231 A235 L573	R229-R233 VanDerWaalsContact O-CG 3.28Å; R229-R233 WeakPolarHBondContact O-CG 3.42Å; R229-R233 PolarHBondContact O-N 2.96Å; E230-R233 PolarHBondContact O-N 3.33Å; N231-R233 VanDerWaalsContact C-N 3.31Å; N231-R233 PolarHBondContact O-N 2.87Å; R233-A235 PolarHBondContact O-N 2.87Å; R233-A235 VanDerWaalsContact O-N 3.08Å; R233-L573 HydrophobicContact CG-CD2 3.82Å
234	D	80.6	Confident	78.5	Confident	69 Å²	69	71.5 Å²	71.5	37%	0.369	36%	0.362	S	S	.	.			trans	-82.7	79.5	177.2	-169.6	-8.1	0	0	0	111	E230 N231 R236 N237 S238	E230-D234 PolarHBondContact O-N 3.03Å; N231-D234 PolarHBondContact O-N 3.25Å; D234-R236 PolarHBondContact O-N 2.73Å; D234-R236 PolarHBondContact OD1-N 2.94Å; D234-N237 CarbonylContact O-C 3.53Å; D234-N237 PolarHBondContact O-N 3.16Å; D234-N237 VanDerWaalsContact O-N 3.08Å; D234-N237 PolarHBondContact OD1-N 2.72Å; D234-N237 WeakPolarHBondContact OD2-CB 3.37Å; D234-N237 PolarHBondContact OD2-ND2 2.74Å; D234-S238 WeakPolarHBondContact O-CA 3.49Å; D234-S238 VanDerWaalsContact O-CB 3.27Å; D234-S238 WeakPolarHBondContact O-CB 3.3Å; D234-S238 PolarHBondContact O-N 3.39Å
235	A	66	Low	76.3	Confident	86 Å²	86	72.5 Å²	72.5	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.8	-176.5	0	0	0	0	0	114.6	R233	R233-A235 PolarHBondContact O-N 2.87Å; R233-A235 VanDerWaalsContact O-N 3.08Å
236	R	66.4	Low	73.9	Confident	236 Å²	236	74 Å²	74	89%	0.891	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-28.2	177.8	-68.8	-171.6	178.5	-160.4	0.1	112.8	D234	D234-R236 PolarHBondContact O-N 2.73Å; D234-R236 PolarHBondContact OD1-N 2.94Å
237	N	71.9	Confident	71.1	Confident	109 Å²	109	73.6 Å²	73.6	58%	0.583	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	13	-177.5	-55.1	-45.6	0	0	0	113.4	D234 L239	D234-N237 CarbonylContact O-C 3.53Å; D234-N237 PolarHBondContact O-N 3.16Å; D234-N237 VanDerWaalsContact O-N 3.08Å; D234-N237 PolarHBondContact OD1-N 2.72Å; D234-N237 WeakPolarHBondContact OD2-CB 3.37Å; D234-N237 PolarHBondContact OD2-ND2 2.74Å; N237-L239 PolarHBondContact O-N 2.98Å
238	S	78	Confident	68.8	Low	9 Å²	9	74.2 Å²	74.2	6%	0.063	43%	0.429	C	S	.	.			trans	-64	120.2	-178.7	159.6	0	0	0	0	110.2	N231 D234 F240 T241	N231-S238 WeakPolarHBondContact O-CB 3.37Å; D234-S238 WeakPolarHBondContact O-CA 3.49Å; D234-S238 VanDerWaalsContact O-CB 3.27Å; D234-S238 WeakPolarHBondContact O-CB 3.3Å; D234-S238 PolarHBondContact O-N 3.39Å; S238-F240 PolarHBondContact O-N 2.74Å; S238-F240 PolarHBondContact OG-N 2.94Å; S238-T241 WeakPolarHBondContact CB-OG1 3.15Å; S238-T241 PolarHBondContact OG-OG1 3.49Å
239	L	82.7	Confident	66.7	Low	36 Å²	36	77.7 Å²	77.7	19%	0.188	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.5	-178.2	-61.4	172.9	0	0	0	111.9	Y149 F197 V201 N231 N237	Y149-L239 HydrophobicContact CD1-CD1 4.41Å; Y149-L239 HydrophobicContact CD2-CD1 4.35Å; Y149-L239 HydrophobicContact CE1-CD1 3.85Å; Y149-L239 HydrophobicContact CE2-CD1 3.75Å; Y149-L239 HydrophobicContact CE2-CD2 4.05Å; Y149-L239 VanDerWaalsContact CZ-CD1 3.48Å; F197-L239 HydrophobicContact CE1-CD1 3.9Å; F197-L239 HydrophobicContact CZ-CD1 3.97Å; V201-L239 HydrophobicContact CG1-CB 4.26Å; V201-L239 HydrophobicContact CG1-CD1 4.33Å; V201-L239 HydrophobicContact CG2-CB 4.1Å; V201-L239 HydrophobicContact CG2-CD1 3.78Å; N231-L239 PolarHBondContact OD1-N 3.02Å; N237-L239 PolarHBondContact O-N 2.98Å
240	F	78.9	Confident	64.7	Low	11 Å²	11	80.8 Å²	80.8	5%	0.048	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	3.6	-176.7	-61.7	-81.4	0	0	0	113.7	F197 F200 V201 V206 L228 N231 L232 S238 F250	F197-F240 AromaticContact CE2-CE2 3.98Å; F197-F240 HydrophobicContact CE2-CE2 3.98Å; F197-F240 HydrophobicContact CE2-CZ 4.3Å; F197-F240 HydrophobicContact CZ-CE2 4.3Å; F200-F240 HydrophobicContact CB-CE1 4.13Å; F200-F240 HydrophobicContact CB-CZ 4.28Å; F200-F240 WeakPolarHBondContact O-CE1 3.27Å; V201-F240 HydrophobicContact CG2-CE1 4.48Å; V201-F240 HydrophobicContact CG2-CE2 4.32Å; V201-F240 HydrophobicContact CG2-CZ 3.89Å; V206-F240 HydrophobicContact CG2-CB 4.03Å; V206-F240 HydrophobicContact CG2-CD1 3.59Å; V206-F240 HydrophobicContact CG2-CD2 4.24Å; V206-F240 HydrophobicContact CG2-CE1 4.07Å; V206-F240 HydrophobicContact CG2-CG 3.68Å; L228-F240 HydrophobicContact CD2-CE1 4.34Å; L228-F240 HydrophobicContact CD2-CE2 3.77Å; L228-F240 HydrophobicContact CD2-CZ 3.47Å; L228-F240 VanDerWaalsContact CD2-CZ 3.47Å; N231-F240 HydrophobicContact CB-CE2 4.47Å; N231-F240 VanDerWaalsContact OD1-CD2 3.24Å; N231-F240 WeakPolarHBondContact OD1-CD2 3.32Å; L232-F240 HydrophobicContact CD2-CB 4.03Å; L232-F240 HydrophobicContact CD2-CD2 4.33Å; L232-F240 HydrophobicContact CD2-CG 4.47Å; S238-F240 PolarHBondContact O-N 2.74Å; S238-F240 PolarHBondContact OG-N 2.94Å; F240-F250 WeakPolarHBondContact O-CE1 3.48Å
241	T	62.3	Low	62.8	Low	86 Å²	86	78.2 Å²	78.2	53%	0.528	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-2.3	-173.6	56.1	0	0	0	0	115.1	S238	S238-T241 WeakPolarHBondContact CB-OG1 3.15Å; S238-T241 PolarHBondContact OG-OG1 3.49Å
242	G	50.9	Low	61.2	Low	29 Å²	29	87 Å²	87	30%	0.299	49%	0.491	S	S	.	.	S	Bend	trans	-96.5	168.1	-173.3	0	0	0	0	0	116.1	T244 L245	G242-T244 PolarHBondContact O-N 2.92Å; G242-L245 PolarHBondContact O-N 3.27Å
243	D	44.4	Very low	60.3	Low	174 Å²	174	89.4 Å²	89.4	93%	0.93	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-3.1	174.5	-76.8	-31.4	0	0	0	114.8	L245	D243-L245 VanDerWaalsContact C-N 3.28Å
244	T	46.3	Very low	60.3	Low	89 Å²	89	83.8 Å²	83.8	55%	0.546	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.8	176.9	48.7	0	0	0	0	112.8	G242	G242-T244 PolarHBondContact O-N 2.92Å
245	L	51.3	Low	60.9	Low	21 Å²	21	80.6 Å²	80.6	11%	0.11	46%	0.464	C	S	.	.	S	Bend	trans	-103.7	114.6	173.1	-67	161.3	0	0	0	107.5	G242 D243 Q249	G242-L245 PolarHBondContact O-N 3.27Å; D243-L245 VanDerWaalsContact C-N 3.28Å; L245-Q249 HydrophobicContact CB-CB 4.4Å; L245-Q249 VanDerWaalsContact CD2-OE1 3.24Å
246	G	46.2	Very low	62.3	Low	42 Å²	42	76.5 Å²	76.5	43%	0.433	43%	0.43	S	S	.	.			trans	-55.6	148.5	-175.2	0	0	0	0	0	112.5	G248 Q249	G246-G248 PolarHBondContact O-N 3.43Å; G246-Q249 PolarHBondContact O-N 3.11Å; G246-Q249 VanDerWaalsContact O-N 3.15Å
247	A	37.3	Very low	63.8	Low	115 Å²	115	65.3 Å²	65.3	95%	0.95	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	112.4	175.2	0	0	0	0	0	110.4
248	G	46	Very low	65	Low	75 Å²	75	60.1 Å²	60.1	77%	0.773	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.1	-4.9	-177.3	0	0	0	0	0	116.1	G246	G246-G248 PolarHBondContact O-N 3.43Å
249	Q	49.2	Very low	66	Low	73 Å²	73	59.7 Å²	59.7	34%	0.341	36%	0.357	S	S	.	.			trans	-88.2	-4.6	179.6	-76.1	-178.1	-27.9	0	0	115.5	L245 G246 S251	L245-Q249 HydrophobicContact CB-CB 4.4Å; L245-Q249 VanDerWaalsContact CD2-OE1 3.24Å; G246-Q249 PolarHBondContact O-N 3.11Å; G246-Q249 VanDerWaalsContact O-N 3.15Å; Q249-S251 PolarHBondContact O-N 2.58Å
250	F	48.1	Very low	66.6	Low	102 Å²	102	58 Å²	58	45%	0.447	35%	0.348	S	S	.	.			trans	-78.4	112.4	177.2	-63.8	-72.1	0	0	0	110.7	F240 F252	F240-F250 WeakPolarHBondContact O-CE1 3.48Å; F250-F252 PolarHBondContact O-N 3.36Å
251	S	51.7	Low	67.3	Low	53 Å²	53	57.8 Å²	57.8	37%	0.371	35%	0.347	S	S	.	.			trans	-69.4	124	163.7	-169.8	0	0	0	0	109	Q249 Q253	Q249-S251 PolarHBondContact O-N 2.58Å; S251-Q253 WeakPolarHBondContact CB-O 3.49Å; S251-Q253 PolarHBondContact O-N 3.4Å; S251-Q253 PolarHBondContact OG-N 3.41Å; S251-Q253 PolarHBondContact OG-O 2.96Å
252	F	54.3	Low	68.8	Low	212 Å²	212	53.7 Å²	53.7	93%	0.93	32%	0.322	S	S	*	.	S	Bend	trans	-65.9	-20.5	172.8	-72	-83.5	0	0	0	111.7	F250	F250-F252 PolarHBondContact O-N 3.36Å
253	Q	68.6	Low	70.8	Confident	83 Å²	83	54.5 Å²	54.5	39%	0.388	32%	0.32	S	S	.	.	S	Bend	trans	-106.9	135.1	175.3	-64.3	-166.2	10.6	0	0	110.5	S251 Q588	S251-Q253 WeakPolarHBondContact CB-O 3.49Å; S251-Q253 PolarHBondContact O-N 3.4Å; S251-Q253 PolarHBondContact OG-N 3.41Å; S251-Q253 PolarHBondContact OG-O 2.96Å; Q253-Q588 VanDerWaalsContact CD-CD 3.45Å; Q253-Q588 VanDerWaalsContact CD-OE1 3.27Å; Q253-Q588 VanDerWaalsContact NE2-CD 3.31Å
254	R	85.1	Confident	72.9	Confident	49 Å²	49	48.9 Å²	48.9	19%	0.185	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-84.2	133.2	-179	-67.7	174.6	64.1	-163.5	3.9	109.9	V206 P207 I208 D569	V206-R254 PolarHBondContact O-NE 3.49Å; P207-R254 PolarHBondContact O-NH2 3.27Å; I208-R254 HydrophobicContact CD1-CB 4.47Å; R254-D569 IonicContact CZ-OD1 2.67Å; R254-D569 IonicContact CZ-OD2 2.74Å; R254-D569 IonicContact NH1-OD1 3.54Å; R254-D569 PolarHBondContact NH1-OD1 3.36Å; R254-D569 IonicContact NH1-OD2 3.49Å; R254-D569 PolarHBondContact NH1-OD2 2.83Å; R254-D569 IonicContact NH2-OD1 2.56Å; R254-D569 PolarHBondContact NH2-OD1 3.15Å
255	P	92.6	Very high	75.1	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.019	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.9	146.3	175.8	29	-34	0	0	0	110.4	A205 P207 I208 E589 I591	A205-P255 HydrophobicContact CB-CG 3.96Å; P207-P255 CarbonylContact C-O 3.54Å; P207-P255 WeakPolarHBondContact CA-O 3.41Å; P207-P255 HydrophobicContact CB-CG 4.46Å; I208-P255 PolarHBondContact N-O 3.44Å; P255-E589 WeakPolarHBondContact CA-O 3.2Å; P255-E589 HydrophobicContact CB-CB 3.99Å; P255-I591 HydrophobicContact CB-CD1 4.07Å; P255-I591 HydrophobicContact CG-CD1 4.31Å
256	L	95.6	Very high	77.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.5	168.3	168.2	64.6	0	0	0	109.3	I208 R210 V258 L553 M554 F587 E589 A590 I591	I208-L256 CarbonylContact O-C 3.59Å; R210-L256 HydrophobicContact CB-CD1 4.1Å; R210-L256 HydrophobicContact CG-CD1 3.36Å; L256-V258 HydrophobicContact CD1-CG2 4.22Å; L256-V258 HydrophobicContact CD2-CG2 3.69Å; L256-V258 HydrophobicContact CG-CG2 3.73Å; L256-L553 HydrophobicContact CD2-CB 3.99Å; L256-M554 HydrophobicContact CD2-CB 4.39Å; L256-F587 HydrophobicContact CB-CB 4.12Å; L256-F587 HydrophobicContact CB-CD1 3.76Å; L256-F587 HydrophobicContact CB-CD2 3.85Å; L256-F587 HydrophobicContact CB-CE1 4.04Å; L256-F587 HydrophobicContact CB-CE2 4.08Å; L256-F587 HydrophobicContact CB-CG 3.65Å; L256-F587 HydrophobicContact CB-CZ 4.19Å; L256-F587 HydrophobicContact CD1-CD2 4.46Å; L256-F587 HydrophobicContact CD1-CE2 3.97Å; L256-F587 HydrophobicContact CD1-CZ 4.14Å; L256-F587 HydrophobicContact CD2-CD2 3.68Å; L256-F587 HydrophobicContact CD2-CE2 3.93Å; L256-F587 HydrophobicContact CD2-CG 4.25Å; L256-F587 HydrophobicContact CG-CD2 4.19Å; L256-F587 HydrophobicContact CG-CE2 4.2Å; L256-F587 HydrophobicContact CG-CG 4.48Å; L256-E589 PolarHBondContact N-O 2.9Å; L256-A590 HydrophobicContact CB-CB 4.16Å; L256-A590 HydrophobicContact CD2-CB 4.46Å; L256-A590 CarbonylContact O-C 3.34Å; L256-A590 VanDerWaalsContact O-CA 3.23Å; L256-A590 WeakPolarHBondContact O-CA 3.48Å; L256-I591 PolarHBondContact O-N 2.56Å
257	L	98.1	Very high	79.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.3	165.5	176.3	63.2	0	0	0	109.3	F200 P207 I208 I209 R210 L224 L259 I591 F593	F200-L257 HydrophobicContact CE2-CD1 4.49Å; F200-L257 HydrophobicContact CE2-CD2 3.73Å; F200-L257 HydrophobicContact CZ-CB 4.18Å; F200-L257 HydrophobicContact CZ-CD1 4.14Å; F200-L257 HydrophobicContact CZ-CD2 3.87Å; F200-L257 HydrophobicContact CZ-CG 4.28Å; P207-L257 HydrophobicContact CB-CB 3.73Å; P207-L257 HydrophobicContact CG-CB 4.23Å; P207-L257 HydrophobicContact CG-CD2 4.38Å; I208-L257 PolarHBondContact O-N 2.86Å; I209-L257 CarbonylContact C-O 3.59Å; I209-L257 WeakPolarHBondContact CA-O 3.41Å; I209-L257 HydrophobicContact CG1-CB 4.44Å; I209-L257 HydrophobicContact CG1-CD2 4.13Å; I209-L257 HydrophobicContact CG2-CD2 4.17Å; I209-L257 HydrophobicContact CG2-CG 4.46Å; R210-L257 PolarHBondContact N-O 3.23Å; L224-L257 HydrophobicContact CD2-CD2 3.62Å; L257-L259 HydrophobicContact CD1-CD2 3.94Å; L257-L259 HydrophobicContact CD2-CD1 4.44Å; L257-L259 HydrophobicContact CD2-CD2 3.89Å; L257-L259 HydrophobicContact CD2-CG 4.15Å; L257-L259 HydrophobicContact CG-CD2 3.89Å; L257-L259 HydrophobicContact CG-CG 4.07Å; L257-I591 CarbonylContact C-O 3.56Å; L257-I591 WeakPolarHBondContact CA-O 3.43Å; L257-I591 HydrophobicContact CD1-CB 4.01Å; L257-I591 HydrophobicContact CD1-CG2 3.7Å; L257-F593 HydrophobicContact CD1-CB 4.17Å
258	V	98.2	Very high	82.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.1	171.4	-173.8	0	0	0	0	108.5	R210 L256 V260 I549 L550 L553 Y565 I591 V592 F593	R210-V258 WeakPolarHBondContact O-CA 3.47Å; L256-V258 HydrophobicContact CD1-CG2 4.22Å; L256-V258 HydrophobicContact CD2-CG2 3.69Å; L256-V258 HydrophobicContact CG-CG2 3.73Å; V258-V260 HydrophobicContact CG1-CG1 3.97Å; V258-I549 HydrophobicContact CG1-CG2 4.03Å; V258-L550 HydrophobicContact CG2-CD1 3.91Å; V258-L553 HydrophobicContact CB-CD1 4.35Å; V258-L553 HydrophobicContact CG1-CD1 3.56Å; V258-L553 HydrophobicContact CG2-CB 4.36Å; V258-L553 HydrophobicContact CG2-CD1 3.85Å; V258-Y565 HydrophobicContact CG1-CE1 4.46Å; V258-I591 PolarHBondContact N-O 3.48Å; V258-V592 HydrophobicContact CB-CG2 4.3Å; V258-V592 WeakPolarHBondContact O-CA 3.33Å; V258-F593 PolarHBondContact O-N 3.05Å
259	L	98.3	Very high	84.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.3	172.8	-60.2	176.2	0	0	0	108.9	L196 I209 R210 C211 A217 V220 A221 L257 F593	L196-L259 HydrophobicContact CD1-CD2 4.38Å; I209-L259 HydrophobicContact CG2-CD1 3.77Å; I209-L259 HydrophobicContact CG2-CG 4.19Å; R210-L259 PolarHBondContact O-N 2.98Å; C211-L259 WeakPolarHBondContact CA-O 3.48Å; C211-L259 HydrophobicContact CB-CB 3.89Å; A217-L259 HydrophobicContact CB-CB 4Å; V220-L259 HydrophobicContact CB-CD1 4.3Å; V220-L259 HydrophobicContact CG1-CD1 4Å; A221-L259 HydrophobicContact CB-CD1 3.63Å; L257-L259 HydrophobicContact CD1-CD2 3.94Å; L257-L259 HydrophobicContact CD2-CD1 4.44Å; L257-L259 HydrophobicContact CD2-CD2 3.89Å; L257-L259 HydrophobicContact CD2-CG 4.15Å; L257-L259 HydrophobicContact CG-CD2 3.89Å; L257-L259 HydrophobicContact CG-CG 4.07Å; L259-F593 HydrophobicContact CD2-CB 3.81Å; L259-F593 HydrophobicContact CD2-CD1 3.98Å; L259-F593 HydrophobicContact CD2-CG 4.28Å
260	V	95.8	Very high	86.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.8	175.7	-61.9	0	0	0	0	110.3	V258 I264 V546 I549 V592 F593 V594 V595	V258-V260 HydrophobicContact CG1-CG1 3.97Å; V260-I264 HydrophobicContact CB-CD1 3.73Å; V260-I264 HydrophobicContact CG1-CD1 4.04Å; V260-I264 HydrophobicContact CG2-CD1 4.01Å; V260-V546 HydrophobicContact CG2-CG2 4.43Å; V260-I549 HydrophobicContact CG1-CG2 4.19Å; V260-V592 HydrophobicContact CG2-CG1 4.15Å; V260-F593 PolarHBondContact N-O 2.89Å; V260-V594 HydrophobicContact CG2-CB 4.03Å; V260-V594 HydrophobicContact CG2-CG1 3.95Å; V260-V594 HydrophobicContact CG2-CG2 3.66Å; V260-V594 WeakPolarHBondContact O-CA 3.32Å; V260-V595 PolarHBondContact O-N 3.43Å
261	D	93.1	Very high	89	Confident	6 Å²	6	26.1 Å²	26.1	3%	0.032	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140.2	174.4	-165.7	-69.2	0	0	0	109.3	T215 A216 N263 I264	T215-D261 HydrophobicContact CG2-CB 4.33Å; A216-D261 WeakPolarHBondContact CB-OD2 3.3Å; A216-D261 PolarHBondContact N-OD2 3.02Å; D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 VanDerWaalsContact OD1-CB 3.31Å; D261-N263 WeakPolarHBondContact OD1-CB 3.46Å; D261-N263 PolarHBondContact OD1-N 2.89Å; D261-N263 PolarHBondContact OD1-ND2 3.48Å; D261-I264 VanDerWaalsContact O-CG1 3.28Å; D261-I264 WeakPolarHBondContact O-CG1 3.44Å; D261-I264 WeakPolarHBondContact O-CG2 3.45Å; D261-I264 PolarHBondContact O-N 3.03Å
262	R	94.6	Very high	91.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-51.9	-27.4	177.3	176.5	49.1	43.7	-155.8	1.4	113	Y172 I264 D265 L266 V594 V595 G597 E602 F631	Y172-R262 HydrophobicContact CD2-CB 3.7Å; Y172-R262 HydrophobicContact CD2-CG 3.61Å; Y172-R262 HydrophobicContact CE2-CB 4.01Å; Y172-R262 HydrophobicContact CE2-CG 3.92Å; Y172-R262 HydrophobicContact CG-CG 4.32Å; R262-I264 PolarHBondContact O-N 3.21Å; R262-D265 WeakPolarHBondContact CD-O 3.45Å; R262-D265 PolarHBondContact NH1-O 3.22Å; R262-D265 CarbonylContact O-C 3.59Å; R262-D265 PolarHBondContact O-N 3.07Å; R262-L266 HydrophobicContact CG-CD2 3.99Å; R262-L266 WeakPolarHBondContact O-CD2 3.49Å; R262-V594 HydrophobicContact CB-CG1 4.35Å; R262-V595 PolarHBondContact N-O 3.44Å; R262-G597 VanDerWaalsContact CZ-O 3.25Å; R262-G597 PolarHBondContact NE-O 2.87Å; R262-G597 PolarHBondContact NH2-O 3.28Å; R262-E602 IonicContact CZ-OE1 2.94Å; R262-E602 VanDerWaalsContact CZ-OE1 3.23Å; R262-E602 IonicContact CZ-OE2 3.9Å; R262-E602 IonicContact NH1-OE1 2.78Å; R262-E602 PolarHBondContact NH1-OE1 2.76Å; R262-E602 IonicContact NH1-OE2 3.74Å; R262-E602 IonicContact NH2-OE1 3.17Å; R262-E602 PolarHBondContact NH2-OE1 2.98Å; R262-E602 IonicContact NH2-OE2 3.89Å; R262-E602 PolarHBondContact NH2-OE2 3.48Å; R262-F631 HydrophobicContact CG-CE2 4.35Å; R262-F631 HydrophobicContact CG-CZ 4.42Å
263	N	91.3	Very high	92.8	Very high	47 Å²	47	14 Å²	14	25%	0.251	7%	0.069	S	C	.	.	G	3₁₀ helix	trans	-56.2	-16.9	175	-76	-51.2	0	0	0	115.4	Y172 N176 D261 D265 W495	Y172-N263 WeakPolarHBondContact CE2-OD1 3.3Å; Y172-N263 PolarHBondContact OH-OD1 3.14Å; N176-N263 PolarHBondContact OD1-ND2 3.23Å; D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 VanDerWaalsContact OD1-CB 3.31Å; D261-N263 WeakPolarHBondContact OD1-CB 3.46Å; D261-N263 PolarHBondContact OD1-N 2.89Å; D261-N263 PolarHBondContact OD1-ND2 3.48Å; N263-D265 PolarHBondContact O-N 2.92Å; N263-W495 PolarHBondContact OD1-NE1 3.5Å
264	I	89.9	Confident	93.8	Very high	55 Å²	55	10 Å²	10	28%	0.282	5%	0.051	S	C	.	.	G	3₁₀ helix	trans	-67.4	-26.8	174.2	69.9	173.2	0	0	0	112.7	V260 D261 R262 V546 I549	V260-I264 HydrophobicContact CB-CD1 3.73Å; V260-I264 HydrophobicContact CG1-CD1 4.04Å; V260-I264 HydrophobicContact CG2-CD1 4.01Å; D261-I264 VanDerWaalsContact O-CG1 3.28Å; D261-I264 WeakPolarHBondContact O-CG1 3.44Å; D261-I264 WeakPolarHBondContact O-CG2 3.45Å; D261-I264 PolarHBondContact O-N 3.03Å; R262-I264 PolarHBondContact O-N 3.21Å; I264-V546 HydrophobicContact CD1-CG2 3.66Å; I264-I549 HydrophobicContact CD1-CD1 3.63Å
265	D	92	Very high	94.2	Very high	13 Å²	13	8.3 Å²	8.3	7%	0.07	5%	0.045	C	C	.	.			trans	-157.2	98	-175.6	-173	2.5	0	0	0	111.9	R262 N263 A267 T268 P269 P545	R262-D265 WeakPolarHBondContact CD-O 3.45Å; R262-D265 PolarHBondContact NH1-O 3.22Å; R262-D265 CarbonylContact O-C 3.59Å; R262-D265 PolarHBondContact O-N 3.07Å; N263-D265 PolarHBondContact O-N 2.92Å; D265-A267 PolarHBondContact OD1-N 3.47Å; D265-T268 PolarHBondContact OD1-N 3.27Å; D265-T268 WeakPolarHBondContact OD2-CB 3.44Å; D265-T268 PolarHBondContact OD2-OG1 2.78Å; D265-P269 WeakPolarHBondContact O-CD 3.21Å; D265-P545 HydrophobicContact CB-CB 4.14Å; D265-P545 HydrophobicContact CB-CG 3.97Å; D265-P545 VanDerWaalsContact OD2-CD 3.32Å; D265-P545 WeakPolarHBondContact OD2-CD 3.47Å; D265-P545 WeakPolarHBondContact OD2-CG 3.41Å
266	L	94.8	Very high	94.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-92.4	-10.5	173.3	-54.1	-170	0	0	0	113	Y172 R262 L270 I461 I492 W495 F631	Y172-L266 HydrophobicContact CE2-CD2 4.13Å; R262-L266 HydrophobicContact CG-CD2 3.99Å; R262-L266 WeakPolarHBondContact O-CD2 3.49Å; L266-L270 WeakPolarHBondContact O-CD1 3.29Å; L266-L270 WeakPolarHBondContact O-CG 3.19Å; L266-I461 HydrophobicContact CB-CD1 3.95Å; L266-I492 HydrophobicContact CD1-CD1 3.59Å; L266-W495 HydrophobicContact CD1-CD2 3.48Å; L266-W495 VanDerWaalsContact CD1-CD2 3.48Å; L266-W495 VanDerWaalsContact CD1-CE2 3.41Å; L266-W495 HydrophobicContact CD1-CE3 3.93Å; L266-W495 HydrophobicContact CD1-CG 3.83Å; L266-W495 HydrophobicContact CD1-CH2 4.25Å; L266-W495 HydrophobicContact CD1-CZ2 3.83Å; L266-W495 HydrophobicContact CD1-CZ3 4.3Å; L266-W495 HydrophobicContact CG-CD2 4.45Å; L266-W495 HydrophobicContact CG-CH2 4.32Å; L266-W495 HydrophobicContact CG-CZ2 3.89Å; L266-F631 HydrophobicContact CD2-CZ 4.06Å
267	A	94.4	Very high	94.4	Very high	6 Å²	6	8.2 Å²	8.2	5%	0.05	5%	0.045	C	C	.	.	S	Bend	trans	-82.3	-45.5	-176.3	0	0	0	0	0	111.6	D265 L270 H271 M428 I461	D265-A267 PolarHBondContact OD1-N 3.47Å; A267-L270 WeakPolarHBondContact O-CB 3.44Å; A267-L270 PolarHBondContact O-N 3.2Å; A267-H271 PolarHBondContact O-N 3.39Å; A267-M428 HydrophobicContact CB-CE 4.46Å; A267-I461 HydrophobicContact CB-CG2 4Å
268	T	94.6	Very high	94.3	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.012	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-54.9	-47.1	-179.4	-66.1	0	0	0	0	113.3	D265 L270 H271 L544 I601 E602	D265-T268 PolarHBondContact OD1-N 3.27Å; D265-T268 WeakPolarHBondContact OD2-CB 3.44Å; D265-T268 PolarHBondContact OD2-OG1 2.78Å; T268-L270 PolarHBondContact O-N 2.81Å; T268-L270 VanDerWaalsContact O-N 3.1Å; T268-H271 VanDerWaalsContact O-CB 3.31Å; T268-H271 WeakPolarHBondContact O-CB 3.46Å; T268-H271 PolarHBondContact O-N 2.91Å; T268-H271 VanDerWaalsContact O-N 3.12Å; T268-L544 HydrophobicContact CG2-CD1 3.82Å; T268-I601 HydrophobicContact CG2-CB 4.03Å; T268-I601 HydrophobicContact CG2-CG2 3.95Å; T268-E602 HydrophobicContact CG2-CG 3.81Å
269	P	95.6	Very high	94.2	Very high	5 Å²	5	8.5 Å²	8.5	3%	0.032	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-51.3	-28.4	172.2	-36.2	40.9	0	0	0	117	D265 F626 A628 F631	D265-P269 WeakPolarHBondContact O-CD 3.21Å; P269-F626 HydrophobicContact CB-CE2 3.74Å; P269-F626 HydrophobicContact CB-CZ 4.29Å; P269-F626 HydrophobicContact CG-CE2 4.04Å; P269-F626 HydrophobicContact CG-CZ 4.21Å; P269-A628 WeakPolarHBondContact O-CA 3.49Å; P269-A628 WeakPolarHBondContact O-CB 3.46Å; P269-F631 HydrophobicContact CB-CD1 3.41Å; P269-F631 VanDerWaalsContact CB-CD1 3.41Å; P269-F631 HydrophobicContact CB-CE1 3.67Å; P269-F631 HydrophobicContact CB-CG 4.06Å; P269-F631 HydrophobicContact CG-CD1 4.33Å; P269-F631 HydrophobicContact CG-CE1 4.17Å
270	L	96.9	Very high	94.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-93.3	-18.2	-175.9	-61.5	171.7	0	0	0	111.8	L266 A267 T268 R454 L457 I458 I461 F631 I632 L635	L266-L270 WeakPolarHBondContact O-CD1 3.29Å; L266-L270 WeakPolarHBondContact O-CG 3.19Å; A267-L270 WeakPolarHBondContact O-CB 3.44Å; A267-L270 PolarHBondContact O-N 3.2Å; T268-L270 PolarHBondContact O-N 2.81Å; T268-L270 VanDerWaalsContact O-N 3.1Å; L270-R454 PolarHBondContact O-NE 2.82Å; L270-R454 PolarHBondContact O-NH2 3.22Å; L270-L457 HydrophobicContact CD1-CB 3.67Å; L270-L457 HydrophobicContact CD1-CD1 4Å; L270-L457 HydrophobicContact CD2-CD1 4.43Å; L270-I458 HydrophobicContact CB-CD1 4.06Å; L270-I458 HydrophobicContact CB-CG1 3.83Å; L270-I461 HydrophobicContact CD1-CD1 3.91Å; L270-F631 HydrophobicContact CD2-CD1 3.78Å; L270-F631 HydrophobicContact CD2-CE1 4.32Å; L270-F631 HydrophobicContact CG-CD1 4.13Å; L270-F631 HydrophobicContact CG-CE1 4.31Å; L270-I632 HydrophobicContact CD2-CD1 4.04Å; L270-I632 HydrophobicContact CD2-CG1 3.54Å; L270-L635 HydrophobicContact CD2-CD1 4.34Å
271	H	94.5	Very high	94.1	Very high	13 Å²	13	9 Å²	9	6%	0.06	5%	0.049	C	C	.	.	S	Bend	trans	-62.4	135	-175	-165.5	-116.2	0	0	0	111.4	A267 T268 F421 E424 E425 M428 R454 I601	A267-H271 PolarHBondContact O-N 3.39Å; T268-H271 VanDerWaalsContact O-CB 3.31Å; T268-H271 WeakPolarHBondContact O-CB 3.46Å; T268-H271 PolarHBondContact O-N 2.91Å; T268-H271 VanDerWaalsContact O-N 3.12Å; H271-F421 AromaticContact CE1-CD2 3.91Å; H271-F421 AromaticContact CE1-CE2 3.65Å; H271-E424 IonicContact CD2-OE2 3.61Å; H271-E424 PolarHBondContact CD2-OE2 3.41Å; H271-E424 IonicContact CG-OE2 3.74Å; H271-E424 IonicContact NE2-OE2 3.38Å; H271-E425 IonicContact CE1-OE1 2.73Å; H271-E425 PolarHBondContact CE1-OE1 2.89Å; H271-E425 VanDerWaalsContact CE1-OE1 3.25Å; H271-E425 IonicContact NE2-OE1 2.77Å; H271-M428 HydrophobicContact CB-SD 4.36Å; H271-M428 PolarHBondContact CD2-SD 2.78Å; H271-R454 PolarHBondContact O-NH2 3.41Å; H271-I601 HydrophobicContact CB-CD1 4.21Å
272	H	94.9	Very high	94.3	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.009	5%	0.05	C	C	.	.			trans	-66.6	139	164	-71.6	91.2	0	0	0	108.7	D282 F421 E424 D451 R454	H272-D282 IonicContact CD2-OD2 3.3Å; H272-F421 HydrophobicContact CB-CB 4.38Å; H272-F421 VanDerWaalsContact O-CD2 3.27Å; H272-F421 WeakPolarHBondContact O-CD2 3.4Å; H272-E424 WeakPolarHBondContact CB-OE2 3.43Å; H272-E424 IonicContact CE1-OE1 3.59Å; H272-E424 PolarHBondContact CE1-OE1 2.96Å; H272-E424 IonicContact CG-OE1 3.04Å; H272-E424 IonicContact CG-OE2 2.71Å; H272-E424 PolarHBondContact N-OE2 2.78Å; H272-E424 VanDerWaalsContact ND1-CD 3.33Å; H272-E424 IonicContact ND1-OE1 2.97Å; H272-E424 PolarHBondContact ND1-OE1 3.34Å; H272-E424 IonicContact ND1-OE2 3.96Å; H272-E424 PolarHBondContact ND1-OE2 2.94Å; H272-D451 IonicContact CE1-OD1 3.67Å; H272-D451 IonicContact NE2-OD1 3.23Å; H272-D451 PolarHBondContact NE2-OD1 3.4Å; H272-R454 PolarHBondContact CD2-NH1 2.79Å; H272-R454 VanDerWaalsContact NE2-CZ 3.34Å; H272-R454 PolarHBondContact NE2-NH1 3.1Å; H272-R454 VanDerWaalsContact NE2-NH1 3.13Å
273	T	89.8	Confident	94.3	Very high	8 Å²	8	10 Å²	10	5%	0.049	6%	0.055	C	C	.	.			trans	-112.5	156.6	-174.3	-179.5	0	0	0	0	111	T275 A278 L279 D282	T273-T275 PolarHBondContact OG1-N 2.97Å; T273-T275 PolarHBondContact OG1-OG1 2.89Å; T273-A278 HydrophobicContact CG2-CB 3.55Å; T273-A278 WeakPolarHBondContact CG2-O 3.38Å; T273-A278 WeakPolarHBondContact OG1-CB 3.44Å; T273-L279 HydrophobicContact CG2-CB 4.04Å; T273-L279 HydrophobicContact CG2-CD1 4.4Å; T273-L279 VanDerWaalsContact CG2-N 3.32Å; T273-L279 WeakPolarHBondContact O-CD1 3.36Å; T273-D282 HydrophobicContact CG2-CB 4.29Å
274	W	90.7	Very high	94.5	Very high	1 Å²	1	8.5 Å²	8.5	0%	0.004	5%	0.047	C	C	.	.			trans	-120.7	1.8	179.8	-141.3	-120	0	0	0	113.7	P332 F333 I412 L417 D418 F421 V534 L537 L539	W274-P332 CarbonylContact O-C 3.58Å; W274-P332 WeakPolarHBondContact O-CA 3.47Å; W274-F333 PolarHBondContact O-N 3.48Å; W274-I412 HydrophobicContact CH2-CD1 4.24Å; W274-I412 HydrophobicContact CH2-CG2 3.85Å; W274-I412 HydrophobicContact CZ3-CD1 4.49Å; W274-I412 HydrophobicContact CZ3-CG2 4.45Å; W274-L417 HydrophobicContact CZ3-CB 4.47Å; W274-D418 HydrophobicContact CH2-CB 3.74Å; W274-D418 HydrophobicContact CZ2-CB 4.28Å; W274-F421 HydrophobicContact CB-CD2 4.4Å; W274-F421 HydrophobicContact CB-CE1 4.46Å; W274-F421 HydrophobicContact CB-CE2 4Å; W274-F421 HydrophobicContact CB-CZ 4.05Å; W274-F421 HydrophobicContact CE3-CB 4.4Å; W274-F421 HydrophobicContact CE3-CG 4.25Å; W274-V534 HydrophobicContact CZ2-CG1 3.51Å; W274-L537 HydrophobicContact CH2-CD1 4.25Å; W274-L537 HydrophobicContact CZ2-CD1 3.69Å; W274-L539 HydrophobicContact CB-CD1 4.34Å; W274-L539 HydrophobicContact CB-CD2 4.24Å; W274-L539 HydrophobicContact CB-CG 4.41Å
275	T	92.9	Very high	94.7	Very high	12 Å²	12	8.9 Å²	8.9	7%	0.074	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-91.2	145	175.4	59.6	0	0	0	0	110.5	T273 Q277 A278 L279 S331 L539 Q604	T273-T275 PolarHBondContact OG1-N 2.97Å; T273-T275 PolarHBondContact OG1-OG1 2.89Å; T275-Q277 PolarHBondContact O-N 2.59Å; T275-A278 PolarHBondContact O-N 3.04Å; T275-A278 WeakPolarHBondContact OG1-CB 3.35Å; T275-L279 WeakPolarHBondContact O-CB 3.4Å; T275-L279 PolarHBondContact O-N 3.01Å; T275-S331 WeakPolarHBondContact CA-O 3.34Å; T275-L539 HydrophobicContact CG2-CD1 3.8Å; T275-Q604 HydrophobicContact CG2-CG 4.16Å
276	Y	96.1	Very high	94.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.2	-50.7	-167.8	-170.8	-151.3	0	0	0	113.7	L279 V280 F324 W325 H328 S331 F333 V336 H401 V404	Y276-L279 PolarHBondContact O-N 3.17Å; Y276-V280 HydrophobicContact CD2-CG2 3.81Å; Y276-V280 HydrophobicContact CE2-CG2 3.57Å; Y276-V280 WeakPolarHBondContact O-CB 3.5Å; Y276-V280 VanDerWaalsContact O-CG2 3.26Å; Y276-V280 WeakPolarHBondContact O-CG2 3.33Å; Y276-V280 PolarHBondContact O-N 2.87Å; Y276-F324 HydrophobicContact CE1-CE1 4.27Å; Y276-W325 AromaticContact CD1-CE3 3.82Å; Y276-W325 HydrophobicContact CD1-CE3 3.82Å; Y276-W325 AromaticContact CD1-CZ3 3.52Å; Y276-W325 HydrophobicContact CD1-CZ3 3.52Å; Y276-W325 AromaticContact CE1-CE3 3.53Å; Y276-W325 HydrophobicContact CE1-CE3 3.53Å; Y276-W325 AromaticContact CE1-CZ3 3.39Å; Y276-W325 HydrophobicContact CE1-CZ3 3.39Å; Y276-W325 HydrophobicContact CG-CZ3 4.18Å; Y276-W325 AromaticContact CZ-CZ3 3.96Å; Y276-H328 WeakPolarHBondContact CB-O 3.46Å; Y276-S331 PolarHBondContact N-O 3.43Å; Y276-F333 HydrophobicContact CD2-CD2 4.22Å; Y276-V336 HydrophobicContact CD1-CG1 3.7Å; Y276-V336 HydrophobicContact CD1-CG2 4.13Å; Y276-V336 HydrophobicContact CD2-CG1 4.08Å; Y276-V336 HydrophobicContact CE1-CG1 3.84Å; Y276-V336 HydrophobicContact CE2-CG1 4.2Å; Y276-V336 HydrophobicContact CG-CB 4.41Å; Y276-V336 HydrophobicContact CG-CG1 3.86Å; Y276-V336 HydrophobicContact CG-CG2 3.88Å; Y276-H401 AromaticContact CE1-ND1 3.86Å; Y276-H401 PolarHBondContact OH-ND1 3.09Å; Y276-V404 HydrophobicContact CE2-CG1 4.2Å; Y276-V404 VanDerWaalsContact OH-CG1 3.3Å; Y276-V404 WeakPolarHBondContact OH-CG1 3.49Å
277	Q	96.3	Very high	94.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-47.7	-177.7	175.5	171.7	44.9	0	0	112.9	E156 T275 L279 V280 H281 W325 K329 Y600	E156-Q277 PolarHBondContact OE1-NE2 3.14Å; T275-Q277 PolarHBondContact O-N 2.59Å; Q277-L279 VanDerWaalsContact C-N 3.27Å; Q277-L279 PolarHBondContact O-N 3.36Å; Q277-V280 PolarHBondContact O-N 3.09Å; Q277-H281 PolarHBondContact O-N 2.68Å; Q277-W325 HydrophobicContact CB-CH2 3.82Å; Q277-W325 HydrophobicContact CB-CZ2 3.98Å; Q277-W325 HydrophobicContact CG-CH2 4.1Å; Q277-W325 HydrophobicContact CG-CZ2 3.9Å; Q277-K329 HydrophobicContact CB-CB 4.09Å; Q277-K329 WeakPolarHBondContact CB-O 3.42Å; Q277-K329 PolarHBondContact N-O 3.24Å; Q277-Y600 HydrophobicContact CG-CD1 3.64Å; Q277-Y600 HydrophobicContact CG-CD2 4.32Å; Q277-Y600 HydrophobicContact CG-CE1 3.84Å; Q277-Y600 HydrophobicContact CG-CE2 4.47Å; Q277-Y600 HydrophobicContact CG-CG 3.9Å
278	A	95.6	Very high	94.7	Very high	5 Å²	5	12.7 Å²	12.7	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-65.5	-36.6	179.7	0	0	0	0	0	110.6	T273 T275 H281 D282 I601	T273-A278 HydrophobicContact CG2-CB 3.55Å; T273-A278 WeakPolarHBondContact CG2-O 3.38Å; T273-A278 WeakPolarHBondContact OG1-CB 3.44Å; T275-A278 PolarHBondContact O-N 3.04Å; T275-A278 WeakPolarHBondContact OG1-CB 3.35Å; A278-H281 WeakPolarHBondContact O-CB 3.23Å; A278-H281 PolarHBondContact O-N 2.59Å; A278-D282 WeakPolarHBondContact O-CB 3.47Å; A278-D282 PolarHBondContact O-N 3.47Å; A278-I601 HydrophobicContact CB-CG1 4.1Å
279	L	95.6	Very high	94.7	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-71.2	-41.6	-179.8	-174.4	57.6	0	0	0	111.8	T273 T275 Y276 Q277 H281 D282 V283 F333 V408 I412	T273-L279 HydrophobicContact CG2-CB 4.04Å; T273-L279 HydrophobicContact CG2-CD1 4.4Å; T273-L279 VanDerWaalsContact CG2-N 3.32Å; T273-L279 WeakPolarHBondContact O-CD1 3.36Å; T275-L279 WeakPolarHBondContact O-CB 3.4Å; T275-L279 PolarHBondContact O-N 3.01Å; Y276-L279 PolarHBondContact O-N 3.17Å; Q277-L279 VanDerWaalsContact C-N 3.27Å; Q277-L279 PolarHBondContact O-N 3.36Å; L279-H281 VanDerWaalsContact C-N 3.27Å; L279-H281 PolarHBondContact O-N 2.9Å; L279-D282 PolarHBondContact O-N 3.33Å; L279-D282 VanDerWaalsContact O-N 3.16Å; L279-V283 HydrophobicContact CD1-CG1 3.85Å; L279-V283 WeakPolarHBondContact O-CG2 3.23Å; L279-V283 PolarHBondContact O-N 3.47Å; L279-F333 HydrophobicContact CD2-CB 4.07Å; L279-F333 HydrophobicContact CD2-CD2 4.18Å; L279-F333 HydrophobicContact CD2-CG 4.01Å; L279-V408 HydrophobicContact CD2-CG1 3.43Å; L279-V408 VanDerWaalsContact CD2-CG1 3.43Å; L279-V408 HydrophobicContact CG-CG1 3.64Å; L279-I412 HydrophobicContact CD2-CD1 3.88Å; L279-I412 HydrophobicContact CD2-CG1 4.32Å
280	V	96.9	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.3	-43.7	170.5	166.7	0	0	0	0	110.6	Y276 Q277 D282 L284 F286 V291 V404 V408	Y276-V280 HydrophobicContact CD2-CG2 3.81Å; Y276-V280 HydrophobicContact CE2-CG2 3.57Å; Y276-V280 WeakPolarHBondContact O-CB 3.5Å; Y276-V280 VanDerWaalsContact O-CG2 3.26Å; Y276-V280 WeakPolarHBondContact O-CG2 3.33Å; Y276-V280 PolarHBondContact O-N 2.87Å; Q277-V280 PolarHBondContact O-N 3.09Å; V280-D282 VanDerWaalsContact C-N 3.35Å; V280-D282 PolarHBondContact O-N 3.2Å; V280-L284 HydrophobicContact CG1-CD1 4.23Å; V280-L284 HydrophobicContact CG2-CD1 4.47Å; V280-L284 WeakPolarHBondContact O-CA 3.22Å; V280-L284 VanDerWaalsContact O-CB 3.3Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 PolarHBondContact O-N 2.91Å; V280-F286 HydrophobicContact CG1-CB 3.99Å; V280-F286 HydrophobicContact CG1-CD1 4.23Å; V280-F286 HydrophobicContact CG1-CD2 4.22Å; V280-F286 HydrophobicContact CG1-CG 3.9Å; V280-V291 HydrophobicContact CG1-CG2 3.62Å; V280-V404 HydrophobicContact CG1-CG1 4.5Å; V280-V404 HydrophobicContact CG2-CG1 3.74Å; V280-V408 HydrophobicContact CG2-CG2 3.84Å
281	H	96.4	Very high	94.5	Very high	11 Å²	11	18 Å²	18	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-66.6	-32.8	176.7	-170.4	-123.8	0	0	0	114.3	Q277 A278 L279 F286 Y600 F626 N627	Q277-H281 PolarHBondContact O-N 2.68Å; A278-H281 WeakPolarHBondContact O-CB 3.23Å; A278-H281 PolarHBondContact O-N 2.59Å; L279-H281 VanDerWaalsContact C-N 3.27Å; L279-H281 PolarHBondContact O-N 2.9Å; H281-F286 HydrophobicContact CB-CD1 3.82Å; H281-F286 AromaticContact CD2-CD1 3.79Å; H281-F286 PolarHBondContact CD2-O 2.67Å; H281-Y600 HydrophobicContact CB-CD2 3.65Å; H281-Y600 HydrophobicContact CB-CE2 4.01Å; H281-Y600 AromaticContact CD2-CE2 3.86Å; H281-Y600 AromaticContact CG-CD2 3.55Å; H281-Y600 AromaticContact CG-CE2 3.74Å; H281-Y600 AromaticContact ND1-CD2 3.59Å; H281-F626 PolarHBondContact CE1-O 3.35Å; H281-F626 VanDerWaalsContact CE1-O 3.27Å; H281-N627 PolarHBondContact CE1-N 3.46Å; H281-N627 WeakPolarHBondContact O-CB 3.45Å; H281-N627 PolarHBondContact O-ND2 3.44Å; H281-N627 VanDerWaalsContact O-ND2 3.11Å
282	D	96.3	Very high	94.5	Very high	11 Å²	11	19.4 Å²	19.4	6%	0.059	9%	0.094	C	C	.	.	H	α-helix	trans	-78.2	-37.5	-177.6	-164	42.6	0	0	0	112.6	H272 T273 A278 L279 V280 R454 A628	H272-D282 IonicContact CD2-OD2 3.3Å; T273-D282 HydrophobicContact CG2-CB 4.29Å; A278-D282 WeakPolarHBondContact O-CB 3.47Å; A278-D282 PolarHBondContact O-N 3.47Å; L279-D282 PolarHBondContact O-N 3.33Å; L279-D282 VanDerWaalsContact O-N 3.16Å; V280-D282 VanDerWaalsContact C-N 3.35Å; V280-D282 PolarHBondContact O-N 3.2Å; D282-R454 IonicContact OD1-CZ 2.64Å; D282-R454 IonicContact OD1-NH1 3.3Å; D282-R454 PolarHBondContact OD1-NH1 3.43Å; D282-R454 IonicContact OD1-NH2 2.77Å; D282-R454 PolarHBondContact OD1-NH2 3.45Å; D282-R454 IonicContact OD2-CZ 3.82Å; D282-R454 IonicContact OD2-NH1 2.89Å; D282-R454 PolarHBondContact OD2-NH1 3.23Å; D282-R454 IonicContact OD2-NH2 2.96Å; D282-R454 PolarHBondContact OD2-NH2 2.55Å; D282-A628 WeakPolarHBondContact OD1-CB 3.5Å
283	V	95.6	Very high	94.3	Very high	15 Å²	15	20.4 Å²	20.4	9%	0.091	10%	0.1	C	C	.	.	H	α-helix	trans	-110.1	-16.3	-171.3	-48.4	0	0	0	0	115	L279 V408 H411 L417	L279-V283 HydrophobicContact CD1-CG1 3.85Å; L279-V283 WeakPolarHBondContact O-CG2 3.23Å; L279-V283 PolarHBondContact O-N 3.47Å; V283-V408 HydrophobicContact CG2-CB 4.46Å; V283-V408 HydrophobicContact CG2-CG1 4.4Å; V283-V408 HydrophobicContact CG2-CG2 4.1Å; V283-H411 HydrophobicContact CB-CB 3.92Å; V283-H411 HydrophobicContact CG1-CB 4.37Å; V283-H411 HydrophobicContact CG2-CB 3.96Å; V283-L417 HydrophobicContact CG1-CD1 3.79Å
284	L	95.5	Very high	94	Very high	16 Å²	16	24.9 Å²	24.9	8%	0.084	12%	0.12	C	C	.	.	S	Bend	trans	-116.8	163.3	-179.4	-53.6	178.6	0	0	0	111.9	V280 F286 V291 L293 V404 A407 V408	V280-L284 HydrophobicContact CG1-CD1 4.23Å; V280-L284 HydrophobicContact CG2-CD1 4.47Å; V280-L284 WeakPolarHBondContact O-CA 3.22Å; V280-L284 VanDerWaalsContact O-CB 3.3Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 PolarHBondContact O-N 2.91Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 2.94Å; L284-V291 HydrophobicContact CB-CG1 4.19Å; L284-V291 HydrophobicContact CD1-CG1 3.95Å; L284-L293 HydrophobicContact CD1-CD2 3.94Å; L284-L293 HydrophobicContact CD2-CD2 3.99Å; L284-L293 HydrophobicContact CG-CD2 4.43Å; L284-V404 HydrophobicContact CD1-CG1 4.02Å; L284-A407 HydrophobicContact CD1-CB 4.41Å; L284-A407 HydrophobicContact CD2-CB 3.97Å; L284-V408 HydrophobicContact CD1-CG2 3.69Å; L284-V408 HydrophobicContact CG-CG2 4.18Å
285	D	93.9	Very high	92.9	Very high	63 Å²	63	29.5 Å²	29.5	34%	0.337	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	85.3	170	179.4	20	0	0	0	109.8	H287 V291 N292	D285-H287 IonicContact OD1-CE1 2.75Å; D285-H287 PolarHBondContact OD1-CE1 3.03Å; D285-H287 IonicContact OD1-ND1 3.22Å; D285-H287 PolarHBondContact OD1-ND1 3.12Å; D285-V291 CarbonylContact O-C 3.44Å; D285-V291 WeakPolarHBondContact O-CA 3.41Å; D285-N292 HydrophobicContact CB-CB 4.25Å; D285-N292 PolarHBondContact O-N 2.86Å; D285-N292 WeakPolarHBondContact OD2-CB 3Å; D285-N292 PolarHBondContact OD2-ND2 3.09Å
286	F	94.5	Very high	91	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.2	-178.6	-179.6	-127.2	0	0	0	111.3	V280 H281 L284 N289 R290 V291 L318 W325 Y600	V280-F286 HydrophobicContact CG1-CB 3.99Å; V280-F286 HydrophobicContact CG1-CD1 4.23Å; V280-F286 HydrophobicContact CG1-CD2 4.22Å; V280-F286 HydrophobicContact CG1-CG 3.9Å; H281-F286 HydrophobicContact CB-CD1 3.82Å; H281-F286 AromaticContact CD2-CD1 3.79Å; H281-F286 PolarHBondContact CD2-O 2.67Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 2.94Å; F286-N289 VanDerWaalsContact CE2-CA 3.45Å; F286-R290 WeakPolarHBondContact CA-O 3.32Å; F286-V291 HydrophobicContact CB-CG2 4.3Å; F286-V291 HydrophobicContact CD2-CB 4.5Å; F286-V291 HydrophobicContact CD2-CG2 3.44Å; F286-V291 VanDerWaalsContact CD2-CG2 3.44Å; F286-V291 HydrophobicContact CE2-CG2 4.09Å; F286-V291 HydrophobicContact CG-CG2 4.18Å; F286-L318 HydrophobicContact CD2-CD1 4.32Å; F286-L318 HydrophobicContact CE2-CD1 3.71Å; F286-L318 HydrophobicContact CZ-CD1 4.25Å; F286-W325 HydrophobicContact CZ-CZ2 4.35Å; F286-Y600 HydrophobicContact CD1-CE2 4.14Å; F286-Y600 AromaticContact CE1-CE2 3.73Å; F286-Y600 HydrophobicContact CE1-CE2 3.73Å; F286-Y600 AromaticContact CE1-CZ 3.88Å
287	H	92.3	Very high	88.5	Confident	65 Å²	65	38.9 Å²	38.9	30%	0.301	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.5	-178.9	-64.8	90.5	0	0	0	110	D285 N289 R290 Q630	D285-H287 IonicContact OD1-CE1 2.75Å; D285-H287 PolarHBondContact OD1-CE1 3.03Å; D285-H287 IonicContact OD1-ND1 3.22Å; D285-H287 PolarHBondContact OD1-ND1 3.12Å; H287-N289 VanDerWaalsContact C-N 3.29Å; H287-N289 PolarHBondContact O-N 2.92Å; H287-R290 PolarHBondContact N-O 3.49Å; H287-R290 WeakPolarHBondContact O-CB 3.31Å; H287-R290 PolarHBondContact O-N 3.2Å; H287-Q630 PolarHBondContact NE2-NE2 2.95Å
288	L	93.4	Very high	85.8	Confident	33 Å²	33	41.6 Å²	41.6	17%	0.173	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	45.6	178.9	-57.6	178.2	0	0	0	113.4	D53 P57 I153 L155 N164 R290	D53-L288 HydrophobicContact CB-CD1 3.94Å; D53-L288 WeakPolarHBondContact OD1-CD1 3.45Å; P57-L288 HydrophobicContact CG-CB 4.46Å; P57-L288 HydrophobicContact CG-CD2 4.48Å; I153-L288 HydrophobicContact CD1-CD2 4.12Å; I153-L288 HydrophobicContact CG2-CD2 4.12Å; L155-L288 HydrophobicContact CD2-CD2 4.25Å; N164-L288 HydrophobicContact CB-CD2 4.21Å; L288-R290 PolarHBondContact O-N 2.89Å
289	N	94.8	Very high	83	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.043	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	20.7	-176.8	-67.6	-21	0	0	0	115	L155 F286 H287 L318	L155-N289 PolarHBondContact O-ND2 2.99Å; F286-N289 VanDerWaalsContact CE2-CA 3.45Å; H287-N289 VanDerWaalsContact C-N 3.29Å; H287-N289 PolarHBondContact O-N 2.92Å; N289-L318 WeakPolarHBondContact CB-O 3.29Å; N289-L318 PolarHBondContact O-N 3.48Å
290	R	94.5	Very high	80.5	Confident	110 Å²	110	55.9 Å²	55.9	42%	0.415	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.7	175.9	177.5	175.5	-68	176.6	1.1	111.1	F286 H287 L288 Y316 D317	F286-R290 WeakPolarHBondContact CA-O 3.32Å; H287-R290 PolarHBondContact N-O 3.49Å; H287-R290 WeakPolarHBondContact O-CB 3.31Å; H287-R290 PolarHBondContact O-N 3.2Å; L288-R290 PolarHBondContact O-N 2.89Å; R290-Y316 CarbonylContact C-O 3.53Å; R290-Y316 WeakPolarHBondContact CA-O 3.32Å; R290-D317 IonicContact CZ-OD1 3.98Å; R290-D317 IonicContact NE-OD1 2.74Å; R290-D317 PolarHBondContact NE-OD1 3.47Å; R290-D317 IonicContact NH2-OD1 3.87Å; R290-D317 PolarHBondContact NH2-OD1 3.32Å; R290-D317 IonicContact NH2-OD2 3.61Å; R290-D317 PolarHBondContact NH2-OD2 3.3Å
291	V	95	Very high	77.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	171.7	-179.2	0	0	0	0	109	V280 L284 D285 F286 L293 S315 Y316 L318 V404	V280-V291 HydrophobicContact CG1-CG2 3.62Å; L284-V291 HydrophobicContact CB-CG1 4.19Å; L284-V291 HydrophobicContact CD1-CG1 3.95Å; D285-V291 CarbonylContact O-C 3.44Å; D285-V291 WeakPolarHBondContact O-CA 3.41Å; F286-V291 HydrophobicContact CB-CG2 4.3Å; F286-V291 HydrophobicContact CD2-CB 4.5Å; F286-V291 HydrophobicContact CD2-CG2 3.44Å; F286-V291 VanDerWaalsContact CD2-CG2 3.44Å; F286-V291 HydrophobicContact CE2-CG2 4.09Å; F286-V291 HydrophobicContact CG-CG2 4.18Å; V291-L293 HydrophobicContact CG1-CD2 3.68Å; V291-L293 HydrophobicContact CG1-CG 4.05Å; V291-S315 CarbonylContact O-C 3.54Å; V291-S315 VanDerWaalsContact O-CA 3.31Å; V291-S315 WeakPolarHBondContact O-CA 3.32Å; V291-Y316 PolarHBondContact N-O 3.28Å; V291-Y316 PolarHBondContact O-N 3.34Å; V291-L318 HydrophobicContact CG2-CD1 3.61Å; V291-L318 HydrophobicContact CG2-CG 4.42Å; V291-V404 HydrophobicContact CG1-CG2 4.48Å
292	N	93.7	Very high	75.3	Confident	42 Å²	42	66.4 Å²	66.4	23%	0.225	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.4	169.9	-55.2	-50.4	0	0	0	109.5	D285 S315	D285-N292 HydrophobicContact CB-CB 4.25Å; D285-N292 PolarHBondContact O-N 2.86Å; D285-N292 WeakPolarHBondContact OD2-CB 3Å; D285-N292 PolarHBondContact OD2-ND2 3.09Å; N292-S315 WeakPolarHBondContact OD1-CB 3.27Å; N292-S315 PolarHBondContact OD1-OG 3.15Å
293	L	90.9	Very high	73	Confident	24 Å²	24	71.1 Å²	71.1	13%	0.126	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.9	173.2	-59.3	-174	0	0	0	109.5	L284 V291 K313 K314 Y316 N403 A407	L284-L293 HydrophobicContact CD1-CD2 3.94Å; L284-L293 HydrophobicContact CD2-CD2 3.99Å; L284-L293 HydrophobicContact CG-CD2 4.43Å; V291-L293 HydrophobicContact CG1-CD2 3.68Å; V291-L293 HydrophobicContact CG1-CG 4.05Å; L293-K313 WeakPolarHBondContact O-CA 3.39Å; L293-K314 PolarHBondContact N-O 3.47Å; L293-K314 PolarHBondContact O-N 3.2Å; L293-Y316 HydrophobicContact CB-CE2 4.44Å; L293-Y316 HydrophobicContact CD1-CD2 4.15Å; L293-Y316 HydrophobicContact CD1-CE2 3.69Å; L293-Y316 HydrophobicContact CG-CD2 4.25Å; L293-Y316 HydrophobicContact CG-CE2 4.09Å; L293-N403 HydrophobicContact CD1-CB 4.41Å; L293-A407 HydrophobicContact CD1-CB 4.1Å; L293-A407 HydrophobicContact CD2-CB 3.91Å
294	E	83.4	Confident	70.5	Confident	101 Å²	101	75.9 Å²	75.9	47%	0.472	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.7	165	-57.7	-159.5	156.2	0	0	108	S296 K311 K313	E294-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact O-N 3.16Å; E294-K311 WeakPolarHBondContact OE2-CD 3.44Å; E294-K311 IonicContact OE2-NZ 3.69Å; E294-K311 PolarHBondContact OE2-NZ 3.42Å; E294-K313 IonicContact OE1-NZ 3.2Å
295	E	68	Low	68.4	Low	99 Å²	99	79.2 Å²	79.2	46%	0.463	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-65.9	117.9	166.7	-78.7	-180	168.6	0	0	107.9	S297 N312	E295-S297 VanDerWaalsContact C-N 3.26Å; E295-S297 PolarHBondContact O-N 2.72Å; E295-N312 PolarHBondContact N-O 3.34Å; E295-N312 VanDerWaalsContact N-O 3.14Å
296	S	53.6	Low	66.4	Low	103 Å²	103	79.6 Å²	79.6	72%	0.72	50%	0.497	S	S	*	.			trans	-61.6	98.3	159.3	41.7	0	0	0	0	106	E294 G298	E294-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact O-N 3.16Å; S296-G298 PolarHBondContact O-N 2.75Å
297	S	41.8	Very low	64.3	Low	105 Å²	105	90.6 Å²	90.6	73%	0.734	54%	0.538	S	S	*	.			trans	-53.5	112.8	165.9	51.3	0	0	0	0	105.8	E295	E295-S297 VanDerWaalsContact C-N 3.26Å; E295-S297 PolarHBondContact O-N 2.72Å
298	G	41.1	Very low	62.1	Low	59 Å²	59	93.7 Å²	93.7	61%	0.608	56%	0.564	S	S	*	*			trans	-45.2	146.7	169.5	0	0	0	0	0	108.9	S296 E300	S296-G298 PolarHBondContact O-N 2.75Å; G298-E300 PolarHBondContact O-N 2.75Å
299	V	36.1	Very low	60.1	Low	142 Å²	142	100.5 Å²	100.5	86%	0.861	59%	0.592	S	S	*	*			trans	-62.2	76.9	-179.1	-174.6	0	0	0	0	109.4
300	E	42.4	Very low	58.1	Low	164 Å²	164	111.3 Å²	111.3	77%	0.766	63%	0.632	S	S	*	*			trans	-98.2	106.4	164.5	-74.8	-166.3	166.3	0	0	106.1	G298 S302	G298-E300 PolarHBondContact O-N 2.75Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 2.87Å
301	N	39.4	Very low	56.3	Low	153 Å²	153	112.5 Å²	112.5	82%	0.818	64%	0.64	S	S	*	*			trans	-50.5	94.8	170.8	-73.4	-32.8	0	0	0	109.2
302	S	45.8	Very low	55	Low	80 Å²	80	117.8 Å²	117.8	56%	0.559	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-70.9	128.4	172.2	-66.8	0	0	0	0	107.7	E300	E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 2.87Å
303	P	47.5	Very low	54.4	Low	110 Å²	110	121.8 Å²	121.8	71%	0.714	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-59.1	141.8	179.9	20.6	-29.6	0	0	0	110.8	G305	P303-G305 PolarHBondContact O-N 2.65Å; P303-G305 VanDerWaalsContact O-N 3.13Å
304	A	42	Very low	54.3	Low	115 Å²	115	124.7 Å²	124.7	95%	0.95	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	117	-177.5	0	0	0	0	0	110.9
305	G	51.3	Low	54.7	Low	85 Å²	85	122.9 Å²	122.9	88%	0.876	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.4	-5.7	176.7	0	0	0	0	0	116.3	P303	P303-G305 PolarHBondContact O-N 2.65Å; P303-G305 VanDerWaalsContact O-N 3.13Å
306	A	52.8	Low	55.9	Low	72 Å²	72	119.2 Å²	119.2	60%	0.595	68%	0.676	S	S	*	*			trans	-77.5	135.5	175.5	0	0	0	0	0	112.1
307	R	49.9	Very low	57.7	Low	232 Å²	232	117.7 Å²	117.7	88%	0.875	66%	0.66	S	S	*	*			trans	-50.1	142.4	169.8	-75	178.6	-179.5	171.8	0	109.8	K309	R307-K309 PolarHBondContact O-N 3.03Å
308	P	46.4	Very low	60.1	Low	130 Å²	130	112.8 Å²	112.8	84%	0.844	63%	0.626	S	S	*	*			trans	-55.8	114.7	177.6	22	-31	0	0	0	109.2	R310	P308-R310 PolarHBondContact O-N 2.91Å
309	K	52.3	Low	62.2	Low	177 Å²	177	112 Å²	112	77%	0.77	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-58.9	128.2	172.3	-84.2	-178	176.7	175.4	0	107.1	R307 K311	R307-K309 PolarHBondContact O-N 3.03Å; K309-K311 PolarHBondContact O-N 2.64Å; K309-K311 VanDerWaalsContact O-N 3.14Å
310	R	51.1	Low	64.6	Low	235 Å²	235	107.8 Å²	107.8	89%	0.887	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-53.1	119.9	170.9	-130.2	176.3	172.8	177.3	-3.4	106.8	P308 N312	P308-R310 PolarHBondContact O-N 2.91Å; R310-N312 PolarHBondContact O-N 2.92Å; R310-N312 VanDerWaalsContact O-N 3.08Å
311	K	58.4	Low	66.6	Low	134 Å²	134	105.7 Å²	105.7	58%	0.583	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-53.5	118	171.6	-72.5	-178.4	171	-173.8	0	107.4	E294 K309 K313	E294-K311 WeakPolarHBondContact OE2-CD 3.44Å; E294-K311 IonicContact OE2-NZ 3.69Å; E294-K311 PolarHBondContact OE2-NZ 3.42Å; K309-K311 PolarHBondContact O-N 2.64Å; K309-K311 VanDerWaalsContact O-N 3.14Å; K311-K313 PolarHBondContact O-N 3.33Å
312	N	67.8	Low	69.1	Low	112 Å²	112	98.4 Å²	98.4	60%	0.599	54%	0.544	S	S	*	.			trans	-68.3	115.5	174.1	-81.9	-13.3	0	0	0	107.3	E295 R310	E295-N312 PolarHBondContact N-O 3.34Å; E295-N312 VanDerWaalsContact N-O 3.14Å; R310-N312 PolarHBondContact O-N 2.92Å; R310-N312 VanDerWaalsContact O-N 3.08Å
313	K	80.6	Confident	71.3	Confident	125 Å²	125	103.2 Å²	103.2	54%	0.543	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	172	-70.1	-170.7	174.5	-164.2	0	107.9	L293 E294 K311	L293-K313 WeakPolarHBondContact O-CA 3.39Å; E294-K313 IonicContact OE1-NZ 3.2Å; K311-K313 PolarHBondContact O-N 3.33Å
314	K	89.1	Confident	73.5	Confident	86 Å²	86	98.2 Å²	98.2	37%	0.374	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123	174.8	-167.2	167	174.4	-160.9	0	108.9	L293 Y316	L293-K314 PolarHBondContact N-O 3.47Å; L293-K314 PolarHBondContact O-N 3.2Å; K314-Y316 HydrophobicContact CB-CE2 4.24Å; K314-Y316 HydrophobicContact CD-CE1 4.34Å; K314-Y316 HydrophobicContact CD-CE2 4.17Å; K314-Y316 WeakPolarHBondContact CD-OH 3.49Å; K314-Y316 VanDerWaalsContact CE-CZ 3.5Å; K314-Y316 WeakPolarHBondContact CE-OH 3.45Å; K314-Y316 HydrophobicContact CG-CE1 4.39Å; K314-Y316 HydrophobicContact CG-CE2 3.86Å; K314-Y316 PolarHBondContact NZ-OH 3.01Å
315	S	91.3	Very high	76	Confident	63 Å²	63	92.8 Å²	92.8	44%	0.441	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138	-179.6	-59.6	0	0	0	0	110.8	V291 N292	V291-S315 CarbonylContact O-C 3.54Å; V291-S315 VanDerWaalsContact O-CA 3.31Å; V291-S315 WeakPolarHBondContact O-CA 3.32Å; N292-S315 WeakPolarHBondContact OD1-CB 3.27Å; N292-S315 PolarHBondContact OD1-OG 3.15Å
316	Y	93.1	Very high	78	Confident	21 Å²	21	91.6 Å²	91.6	8%	0.082	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.5	177.8	-61.5	-82.9	0	0	0	109.8	R290 V291 L293 K314 L400 N403 V404	R290-Y316 CarbonylContact C-O 3.53Å; R290-Y316 WeakPolarHBondContact CA-O 3.32Å; V291-Y316 PolarHBondContact N-O 3.28Å; V291-Y316 PolarHBondContact O-N 3.34Å; L293-Y316 HydrophobicContact CB-CE2 4.44Å; L293-Y316 HydrophobicContact CD1-CD2 4.15Å; L293-Y316 HydrophobicContact CD1-CE2 3.69Å; L293-Y316 HydrophobicContact CG-CD2 4.25Å; L293-Y316 HydrophobicContact CG-CE2 4.09Å; K314-Y316 HydrophobicContact CB-CE2 4.24Å; K314-Y316 HydrophobicContact CD-CE1 4.34Å; K314-Y316 HydrophobicContact CD-CE2 4.17Å; K314-Y316 WeakPolarHBondContact CD-OH 3.49Å; K314-Y316 VanDerWaalsContact CE-CZ 3.5Å; K314-Y316 WeakPolarHBondContact CE-OH 3.45Å; K314-Y316 HydrophobicContact CG-CE1 4.39Å; K314-Y316 HydrophobicContact CG-CE2 3.86Å; K314-Y316 PolarHBondContact NZ-OH 3.01Å; Y316-L400 HydrophobicContact CD1-CB 3.92Å; Y316-L400 HydrophobicContact CD1-CD1 3.94Å; Y316-L400 HydrophobicContact CD1-CG 3.56Å; Y316-L400 HydrophobicContact CE1-CB 4.32Å; Y316-L400 HydrophobicContact CE1-CG 4.39Å; Y316-L400 HydrophobicContact CG-CD1 4.36Å; Y316-L400 HydrophobicContact CG-CG 3.99Å; Y316-N403 HydrophobicContact CE2-CB 4.37Å; Y316-N403 WeakPolarHBondContact OH-CB 3.3Å; Y316-N403 PolarHBondContact OH-ND2 3.06Å; Y316-V404 HydrophobicContact CD2-CG2 4.39Å
317	D	91.8	Very high	80	Confident	72 Å²	72	95 Å²	95	39%	0.385	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.9	176.7	-63.8	-40.5	0	0	0	110	R290 T319	R290-D317 IonicContact CZ-OD1 3.98Å; R290-D317 IonicContact NE-OD1 2.74Å; R290-D317 PolarHBondContact NE-OD1 3.47Å; R290-D317 IonicContact NH2-OD1 3.87Å; R290-D317 PolarHBondContact NH2-OD1 3.32Å; R290-D317 IonicContact NH2-OD2 3.61Å; R290-D317 PolarHBondContact NH2-OD2 3.3Å; D317-T319 HydrophobicContact CB-CG2 3.95Å
318	L	92.6	Very high	82.2	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.005	41%	0.409	C	S	.	.			trans	-96.8	93.3	177.8	-68.6	170.8	0	0	0	109.4	F286 N289 V291 W325 L400	F286-L318 HydrophobicContact CD2-CD1 4.32Å; F286-L318 HydrophobicContact CE2-CD1 3.71Å; F286-L318 HydrophobicContact CZ-CD1 4.25Å; N289-L318 WeakPolarHBondContact CB-O 3.29Å; N289-L318 PolarHBondContact O-N 3.48Å; V291-L318 HydrophobicContact CG2-CD1 3.61Å; V291-L318 HydrophobicContact CG2-CG 4.42Å; L318-W325 HydrophobicContact CB-CD2 4.13Å; L318-W325 HydrophobicContact CB-CG 4.31Å; L318-W325 HydrophobicContact CB-CZ2 4.36Å; L318-W325 HydrophobicContact CD1-CD2 4.29Å; L318-W325 HydrophobicContact CD1-CE3 4.1Å; L318-W325 HydrophobicContact CD1-CH2 3.61Å; L318-W325 HydrophobicContact CD1-CZ2 3.87Å; L318-W325 HydrophobicContact CD1-CZ3 3.75Å; L318-W325 HydrophobicContact CD2-CD2 3.91Å; L318-W325 HydrophobicContact CD2-CE3 3.75Å; L318-W325 HydrophobicContact CD2-CG 4.26Å; L318-W325 HydrophobicContact CD2-CZ3 4.19Å; L318-W325 HydrophobicContact CG-CD2 4.35Å; L318-W325 HydrophobicContact CG-CE3 4.41Å; L318-L400 HydrophobicContact CD2-CD2 3.64Å
319	T	85.5	Confident	84.5	Confident	43 Å²	43	79.1 Å²	79.1	26%	0.264	37%	0.374	S	S	.	.			trans	-106.6	167.4	-165.7	64.8	0	0	0	0	113.3	D317 V321 D322	D317-T319 HydrophobicContact CB-CG2 3.95Å; T319-V321 PolarHBondContact O-N 2.79Å; T319-V321 WeakPolarHBondContact OG1-CG2 3.38Å; T319-D322 VanDerWaalsContact O-CB 3.27Å; T319-D322 WeakPolarHBondContact O-CB 3.48Å; T319-D322 PolarHBondContact O-N 3.08Å
320	P	85	Confident	86.4	Confident	53 Å²	53	71.2 Å²	71.2	34%	0.344	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.6	174.7	-26	37.7	0	0	0	114.7	R15 D322 Q326	R15-P320 VanDerWaalsContact NH1-CG 3.26Å; R15-P320 VanDerWaalsContact NH2-CD 3.31Å; P320-D322 PolarHBondContact O-N 3.45Å; P320-Q326 WeakPolarHBondContact O-CG 3.26Å
321	V	85.6	Confident	88.4	Confident	120 Å²	120	60.8 Å²	60.8	73%	0.727	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.2	178.9	-61.5	0	0	0	0	112	T319 K323	T319-V321 PolarHBondContact O-N 2.79Å; T319-V321 WeakPolarHBondContact OG1-CG2 3.38Å; V321-K323 PolarHBondContact O-N 2.94Å; V321-K323 VanDerWaalsContact O-N 3.17Å
322	D	91.3	Very high	90	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.291	C	S	.	.			trans	-74.9	100	174.8	-173.5	-19.9	0	0	0	110.6	T319 P320 F324 W325 Q326 L397 H401	T319-D322 VanDerWaalsContact O-CB 3.27Å; T319-D322 WeakPolarHBondContact O-CB 3.48Å; T319-D322 PolarHBondContact O-N 3.08Å; P320-D322 PolarHBondContact O-N 3.45Å; D322-F324 VanDerWaalsContact C-N 3.29Å; D322-F324 PolarHBondContact O-N 3.37Å; D322-F324 PolarHBondContact OD1-N 3.06Å; D322-W325 HydrophobicContact CB-CB 3.85Å; D322-W325 VanDerWaalsContact CG-CB 3.48Å; D322-W325 PolarHBondContact O-N 2.89Å; D322-W325 PolarHBondContact OD1-N 3.12Å; D322-Q326 WeakPolarHBondContact O-CG 3.3Å; D322-Q326 PolarHBondContact O-N 3.05Å; D322-L397 HydrophobicContact CB-CD2 4.29Å; D322-H401 IonicContact OD1-NE2 2.75Å; D322-H401 PolarHBondContact OD1-NE2 3.28Å; D322-H401 IonicContact OD2-CD2 2.66Å; D322-H401 IonicContact OD2-CE1 2.64Å; D322-H401 IonicContact OD2-NE2 3.22Å; D322-H401 PolarHBondContact OD2-NE2 2.89Å
323	K	91.5	Very high	91.2	Very high	180 Å²	180	51.3 Å²	51.3	78%	0.783	26%	0.264	S	S	*	.	H	α-helix	trans	-64.4	-33.2	-178.7	-65.7	-179.4	-178.7	174.8	0	112.6	V321 K327	V321-K323 PolarHBondContact O-N 2.94Å; V321-K323 VanDerWaalsContact O-N 3.17Å; K323-K327 VanDerWaalsContact O-CB 3.3Å; K323-K327 WeakPolarHBondContact O-CB 3.35Å; K323-K327 PolarHBondContact O-N 3.44Å; K323-K327 VanDerWaalsContact O-N 3.16Å
324	F	94.3	Very high	91.6	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-49.8	178.6	-178.8	-84.1	0	0	0	109.4	Y276 D322 Q326 K327 H328 V336 V340 E343 H401	Y276-F324 HydrophobicContact CE1-CE1 4.27Å; D322-F324 VanDerWaalsContact C-N 3.29Å; D322-F324 PolarHBondContact O-N 3.37Å; D322-F324 PolarHBondContact OD1-N 3.06Å; F324-Q326 PolarHBondContact O-N 3.31Å; F324-K327 PolarHBondContact O-N 2.97Å; F324-H328 AromaticContact CD2-CD2 3.85Å; F324-H328 HydrophobicContact CE1-CB 4.18Å; F324-H328 AromaticContact CE2-CD2 3.66Å; F324-H328 HydrophobicContact CZ-CB 4.34Å; F324-H328 AromaticContact CZ-CD2 3.91Å; F324-H328 PolarHBondContact O-N 3.18Å; F324-V336 HydrophobicContact CE1-CG1 4Å; F324-V336 HydrophobicContact CZ-CG1 4Å; F324-V340 HydrophobicContact CE1-CG2 3.92Å; F324-V340 HydrophobicContact CE2-CG2 4.04Å; F324-V340 HydrophobicContact CZ-CB 4.39Å; F324-V340 HydrophobicContact CZ-CG2 3.35Å; F324-E343 VanDerWaalsContact CD2-CD 3.43Å; F324-E343 HydrophobicContact CD2-CG 4.25Å; F324-E343 WeakPolarHBondContact CD2-OE1 3.36Å; F324-E343 WeakPolarHBondContact CD2-OE2 3.09Å; F324-E343 HydrophobicContact CE2-CG 4.47Å; F324-H401 HydrophobicContact CD1-CB 4.09Å; F324-H401 AromaticContact CD1-CD2 3.24Å; F324-H401 WeakPolarHBondContact CD1-CD2 3.35Å; F324-H401 AromaticContact CD1-CE1 3.56Å; F324-H401 AromaticContact CD1-CG 3.34Å; F324-H401 AromaticContact CD1-ND1 3.52Å; F324-H401 AromaticContact CD1-NE2 3.36Å; F324-H401 WeakPolarHBondContact CD1-NE2 3.5Å; F324-H401 HydrophobicContact CE1-CB 4.03Å; F324-H401 AromaticContact CE1-CG 3.68Å; F324-H401 AromaticContact CE1-ND1 3.8Å; F324-H401 AromaticContact CG-CD2 3.65Å; F324-H401 AromaticContact CG-NE2 3.91Å
325	W	95.2	Very high	91.8	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-51.3	176.2	-178.6	-113.8	0	0	0	111.9	Y276 Q277 F286 L318 D322 K327 H328 K329	Y276-W325 AromaticContact CD1-CE3 3.82Å; Y276-W325 HydrophobicContact CD1-CE3 3.82Å; Y276-W325 AromaticContact CD1-CZ3 3.52Å; Y276-W325 HydrophobicContact CD1-CZ3 3.52Å; Y276-W325 AromaticContact CE1-CE3 3.53Å; Y276-W325 HydrophobicContact CE1-CE3 3.53Å; Y276-W325 AromaticContact CE1-CZ3 3.39Å; Y276-W325 HydrophobicContact CE1-CZ3 3.39Å; Y276-W325 HydrophobicContact CG-CZ3 4.18Å; Y276-W325 AromaticContact CZ-CZ3 3.96Å; Q277-W325 HydrophobicContact CB-CH2 3.82Å; Q277-W325 HydrophobicContact CB-CZ2 3.98Å; Q277-W325 HydrophobicContact CG-CH2 4.1Å; Q277-W325 HydrophobicContact CG-CZ2 3.9Å; F286-W325 HydrophobicContact CZ-CZ2 4.35Å; L318-W325 HydrophobicContact CB-CD2 4.13Å; L318-W325 HydrophobicContact CB-CG 4.31Å; L318-W325 HydrophobicContact CB-CZ2 4.36Å; L318-W325 HydrophobicContact CD1-CD2 4.29Å; L318-W325 HydrophobicContact CD1-CE3 4.1Å; L318-W325 HydrophobicContact CD1-CH2 3.61Å; L318-W325 HydrophobicContact CD1-CZ2 3.87Å; L318-W325 HydrophobicContact CD1-CZ3 3.75Å; L318-W325 HydrophobicContact CD2-CD2 3.91Å; L318-W325 HydrophobicContact CD2-CE3 3.75Å; L318-W325 HydrophobicContact CD2-CG 4.26Å; L318-W325 HydrophobicContact CD2-CZ3 4.19Å; L318-W325 HydrophobicContact CG-CD2 4.35Å; L318-W325 HydrophobicContact CG-CE3 4.41Å; D322-W325 HydrophobicContact CB-CB 3.85Å; D322-W325 VanDerWaalsContact CG-CB 3.48Å; D322-W325 PolarHBondContact O-N 2.89Å; D322-W325 PolarHBondContact OD1-N 3.12Å; W325-K327 PolarHBondContact O-N 3.15Å; W325-H328 PolarHBondContact O-N 3.05Å; W325-K329 HydrophobicContact CD2-CB 3.89Å; W325-K329 HydrophobicContact CE3-CB 4.19Å; W325-K329 HydrophobicContact CG-CB 4.44Å; W325-K329 HydrophobicContact CH2-CB 4.31Å; W325-K329 HydrophobicContact CZ2-CB 3.97Å; W325-K329 HydrophobicContact CZ3-CB 4.4Å; W325-K329 WeakPolarHBondContact O-CB 3.46Å; W325-K329 WeakPolarHBondContact O-CG 3.37Å; W325-K329 PolarHBondContact O-N 3.29Å
326	Q	93.6	Very high	91.9	Very high	59 Å²	59	43.1 Å²	43.1	28%	0.276	22%	0.223	S	C	.	.	H	α-helix	trans	-60	-33.9	-178.8	-70.3	-52.2	-47.1	0	0	113.3	P320 D322 F324	P320-Q326 WeakPolarHBondContact O-CG 3.26Å; D322-Q326 WeakPolarHBondContact O-CG 3.3Å; D322-Q326 PolarHBondContact O-N 3.05Å; F324-Q326 PolarHBondContact O-N 3.31Å
327	K	94.1	Very high	91.7	Very high	145 Å²	145	43.7 Å²	43.7	63%	0.63	23%	0.233	S	C	*	.	H	α-helix	trans	-75.2	-41.2	178.1	-175.3	-179.1	169.4	-146.2	0	112.7	K323 F324 W325	K323-K327 VanDerWaalsContact O-CB 3.3Å; K323-K327 WeakPolarHBondContact O-CB 3.35Å; K323-K327 PolarHBondContact O-N 3.44Å; K323-K327 VanDerWaalsContact O-N 3.16Å; F324-K327 PolarHBondContact O-N 2.97Å; W325-K327 PolarHBondContact O-N 3.15Å
328	H	95.3	Very high	91.7	Very high	3 Å²	3	44 Å²	44	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-112	-3.5	-166.7	-68.6	-70.5	0	0	0	115.3	Y276 F324 W325 G330 S331 E335 V336 S339	Y276-H328 WeakPolarHBondContact CB-O 3.46Å; F324-H328 AromaticContact CD2-CD2 3.85Å; F324-H328 HydrophobicContact CE1-CB 4.18Å; F324-H328 AromaticContact CE2-CD2 3.66Å; F324-H328 HydrophobicContact CZ-CB 4.34Å; F324-H328 AromaticContact CZ-CD2 3.91Å; F324-H328 PolarHBondContact O-N 3.18Å; W325-H328 PolarHBondContact O-N 3.05Å; H328-G330 PolarHBondContact O-N 3.05Å; H328-S331 PolarHBondContact ND1-OG 3.29Å; H328-S331 WeakPolarHBondContact O-CB 3.46Å; H328-S331 PolarHBondContact O-N 2.99Å; H328-E335 IonicContact CE1-OE1 2.67Å; H328-E335 IonicContact ND1-OE1 3.93Å; H328-E335 PolarHBondContact ND1-OE1 2.93Å; H328-V336 HydrophobicContact CB-CG2 4.22Å; H328-S339 PolarHBondContact CE1-OG 2.87Å
329	K	94.3	Very high	91.7	Very high	24 Å²	24	44.6 Å²	44.6	10%	0.104	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.6	179.3	65.5	-175.1	-172.5	-170.2	0	113.3	E156 Q277 W325	E156-K329 IonicContact OE1-NZ 2.95Å; E156-K329 IonicContact OE2-NZ 3.94Å; E156-K329 PolarHBondContact OE2-NZ 3.42Å; Q277-K329 HydrophobicContact CB-CB 4.09Å; Q277-K329 WeakPolarHBondContact CB-O 3.42Å; Q277-K329 PolarHBondContact N-O 3.24Å; W325-K329 HydrophobicContact CD2-CB 3.89Å; W325-K329 HydrophobicContact CE3-CB 4.19Å; W325-K329 HydrophobicContact CG-CB 4.44Å; W325-K329 HydrophobicContact CH2-CB 4.31Å; W325-K329 HydrophobicContact CZ2-CB 3.97Å; W325-K329 HydrophobicContact CZ3-CB 4.4Å; W325-K329 WeakPolarHBondContact O-CB 3.46Å; W325-K329 WeakPolarHBondContact O-CG 3.37Å; W325-K329 PolarHBondContact O-N 3.29Å
330	G	92.8	Very high	91.9	Very high	12 Å²	12	43.2 Å²	43.2	12%	0.124	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.1	176.5	0	0	0	0	0	114.9	H328 Q604	H328-G330 PolarHBondContact O-N 3.05Å; G330-Q604 VanDerWaalsContact CA-OE1 3.3Å
331	S	93.4	Very high	92.1	Very high	16 Å²	16	45 Å²	45	11%	0.112	23%	0.231	C	C	.	.	S	Bend	trans	-73.8	151	-178.4	-68.9	0	0	0	0	111.1	T275 Y276 H328 E335	T275-S331 WeakPolarHBondContact CA-O 3.34Å; Y276-S331 PolarHBondContact N-O 3.43Å; H328-S331 PolarHBondContact ND1-OG 3.29Å; H328-S331 WeakPolarHBondContact O-CB 3.46Å; H328-S331 PolarHBondContact O-N 2.99Å; S331-E335 PolarHBondContact OG-OE1 2.99Å
332	P	92.6	Very high	92.5	Very high	42 Å²	42	45.2 Å²	45.2	27%	0.273	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-56.4	140.8	168.3	-20.3	31.3	0	0	0	111.3	W274 P334 E335 V336 L539	W274-P332 CarbonylContact O-C 3.58Å; W274-P332 WeakPolarHBondContact O-CA 3.47Å; P332-P334 VanDerWaalsContact C-N 3.33Å; P332-E335 WeakPolarHBondContact O-CB 3.39Å; P332-E335 PolarHBondContact O-N 2.96Å; P332-V336 WeakPolarHBondContact O-CG2 3.4Å; P332-V336 PolarHBondContact O-N 3.11Å; P332-L539 HydrophobicContact CB-CD1 4.42Å; P332-L539 HydrophobicContact CG-CD1 4.19Å
333	F	92	Very high	92.4	Very high	5 Å²	5	48 Å²	48	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-53.4	-37.7	-177.4	-175.4	-108.2	0	0	0	115	W274 Y276 L279 E335 V336 A337 A405 V408 L409 I412	W274-F333 PolarHBondContact O-N 3.48Å; Y276-F333 HydrophobicContact CD2-CD2 4.22Å; L279-F333 HydrophobicContact CD2-CB 4.07Å; L279-F333 HydrophobicContact CD2-CD2 4.18Å; L279-F333 HydrophobicContact CD2-CG 4.01Å; F333-E335 VanDerWaalsContact C-N 3.32Å; F333-E335 PolarHBondContact O-N 2.98Å; F333-V336 WeakPolarHBondContact O-CB 3.29Å; F333-V336 PolarHBondContact O-N 3.49Å; F333-V336 VanDerWaalsContact O-N 3.17Å; F333-A337 PolarHBondContact O-N 2.95Å; F333-A405 HydrophobicContact CE2-CB 4.28Å; F333-V408 HydrophobicContact CD2-CG1 3.99Å; F333-V408 HydrophobicContact CE1-CG1 4.38Å; F333-V408 HydrophobicContact CE2-CB 3.92Å; F333-V408 HydrophobicContact CE2-CG1 3.54Å; F333-V408 HydrophobicContact CZ-CB 4.12Å; F333-V408 HydrophobicContact CZ-CG1 3.76Å; F333-L409 HydrophobicContact CE1-CB 4.32Å; F333-L409 HydrophobicContact CE1-CD1 4.14Å; F333-L409 HydrophobicContact CZ-CB 4.13Å; F333-I412 HydrophobicContact CD1-CD1 3.49Å; F333-I412 VanDerWaalsContact CD1-CD1 3.49Å; F333-I412 HydrophobicContact CE1-CD1 3.46Å; F333-I412 VanDerWaalsContact CE1-CD1 3.46Å; F333-I412 HydrophobicContact CG-CD1 4.28Å; F333-I412 HydrophobicContact CZ-CD1 4.22Å
334	P	90.1	Very high	92.3	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-40.3	176	-23.6	33.4	0	0	0	113.6	P332 V336 A337 E338 M531 V534	P332-P334 VanDerWaalsContact C-N 3.33Å; P334-V336 VanDerWaalsContact C-N 3.3Å; P334-V336 PolarHBondContact O-N 3.47Å; P334-A337 PolarHBondContact O-N 3.08Å; P334-E338 WeakPolarHBondContact O-CG 3.23Å; P334-E338 PolarHBondContact O-N 3.26Å; P334-E338 VanDerWaalsContact O-N 3.15Å; P334-M531 HydrophobicContact CB-CE 3.92Å; P334-M531 HydrophobicContact CG-CE 4.49Å; P334-V534 HydrophobicContact CG-CG1 3.71Å
335	E	92.4	Very high	92.1	Very high	83 Å²	83	45.7 Å²	45.7	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-66.1	-36.1	177.7	-173.6	-166.8	132.6	0	0	111.1	H328 S331 P332 F333 E338 S339	H328-E335 IonicContact CE1-OE1 2.67Å; H328-E335 IonicContact ND1-OE1 3.93Å; H328-E335 PolarHBondContact ND1-OE1 2.93Å; S331-E335 PolarHBondContact OG-OE1 2.99Å; P332-E335 WeakPolarHBondContact O-CB 3.39Å; P332-E335 PolarHBondContact O-N 2.96Å; F333-E335 VanDerWaalsContact C-N 3.32Å; F333-E335 PolarHBondContact O-N 2.98Å; E335-E338 PolarHBondContact O-N 2.9Å; E335-S339 VanDerWaalsContact O-CB 3.3Å; E335-S339 WeakPolarHBondContact O-CB 3.26Å; E335-S339 PolarHBondContact O-N 3.09Å; E335-S339 PolarHBondContact O-OG 2.97Å
336	V	92.6	Very high	91.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-47.2	177.9	-178.1	0	0	0	0	109.9	Y276 F324 H328 P332 F333 P334 E338 S339 V340	Y276-V336 HydrophobicContact CD1-CG1 3.7Å; Y276-V336 HydrophobicContact CD1-CG2 4.13Å; Y276-V336 HydrophobicContact CD2-CG1 4.08Å; Y276-V336 HydrophobicContact CE1-CG1 3.84Å; Y276-V336 HydrophobicContact CE2-CG1 4.2Å; Y276-V336 HydrophobicContact CG-CB 4.41Å; Y276-V336 HydrophobicContact CG-CG1 3.86Å; Y276-V336 HydrophobicContact CG-CG2 3.88Å; F324-V336 HydrophobicContact CE1-CG1 4Å; F324-V336 HydrophobicContact CZ-CG1 4Å; H328-V336 HydrophobicContact CB-CG2 4.22Å; P332-V336 WeakPolarHBondContact O-CG2 3.4Å; P332-V336 PolarHBondContact O-N 3.11Å; F333-V336 WeakPolarHBondContact O-CB 3.29Å; F333-V336 PolarHBondContact O-N 3.49Å; F333-V336 VanDerWaalsContact O-N 3.17Å; P334-V336 VanDerWaalsContact C-N 3.3Å; P334-V336 PolarHBondContact O-N 3.47Å; V336-E338 VanDerWaalsContact C-N 3.33Å; V336-E338 PolarHBondContact O-N 3.35Å; V336-S339 PolarHBondContact O-N 2.78Å; V336-S339 VanDerWaalsContact O-N 3.13Å; V336-V340 HydrophobicContact CG1-CG2 4.42Å; V336-V340 WeakPolarHBondContact O-CG2 3.46Å; V336-V340 PolarHBondContact O-N 3.16Å
337	A	89.1	Confident	91.5	Very high	34 Å²	34	46.4 Å²	46.4	28%	0.281	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-43.4	178.5	0	0	0	0	0	111.9	F333 P334 Q341	F333-A337 PolarHBondContact O-N 2.95Å; P334-A337 PolarHBondContact O-N 3.08Å; A337-Q341 PolarHBondContact O-N 3.4Å
338	E	91.6	Very high	91.2	Very high	79 Å²	79	46.2 Å²	46.2	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-40.9	174.3	-70.3	-178.2	173.2	0	0	111.7	P334 E335 V336 Q341 Q342 K535	P334-E338 WeakPolarHBondContact O-CG 3.23Å; P334-E338 PolarHBondContact O-N 3.26Å; P334-E338 VanDerWaalsContact O-N 3.15Å; E335-E338 PolarHBondContact O-N 2.9Å; V336-E338 VanDerWaalsContact C-N 3.33Å; V336-E338 PolarHBondContact O-N 3.35Å; E338-Q341 PolarHBondContact O-N 3.16Å; E338-Q342 WeakPolarHBondContact O-CG 3.37Å; E338-Q342 PolarHBondContact O-N 2.62Å; E338-K535 WeakPolarHBondContact OE1-CE 3.47Å; E338-K535 IonicContact OE1-NZ 2.73Å; E338-K535 PolarHBondContact OE1-NZ 2.68Å
339	S	93.2	Very high	90.9	Very high	13 Å²	13	49 Å²	49	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-39	-179.6	-59.4	0	0	0	0	112.8	H328 E335 V336 Q341 Q342 E343	H328-S339 PolarHBondContact CE1-OG 2.87Å; E335-S339 VanDerWaalsContact O-CB 3.3Å; E335-S339 WeakPolarHBondContact O-CB 3.26Å; E335-S339 PolarHBondContact O-N 3.09Å; E335-S339 PolarHBondContact O-OG 2.97Å; V336-S339 PolarHBondContact O-N 2.78Å; V336-S339 VanDerWaalsContact O-N 3.13Å; S339-Q341 VanDerWaalsContact C-N 3.31Å; S339-Q341 PolarHBondContact O-N 3.18Å; S339-Q342 PolarHBondContact O-N 3.41Å; S339-E343 PolarHBondContact O-N 3.43Å
340	V	91.1	Very high	90.4	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.085	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-45	173.3	172.1	0	0	0	0	110.2	F324 V336 Q342 E343 L344 H401 T402	F324-V340 HydrophobicContact CE1-CG2 3.92Å; F324-V340 HydrophobicContact CE2-CG2 4.04Å; F324-V340 HydrophobicContact CZ-CB 4.39Å; F324-V340 HydrophobicContact CZ-CG2 3.35Å; V336-V340 HydrophobicContact CG1-CG2 4.42Å; V336-V340 WeakPolarHBondContact O-CG2 3.46Å; V336-V340 PolarHBondContact O-N 3.16Å; V340-Q342 PolarHBondContact O-N 2.86Å; V340-E343 PolarHBondContact O-N 3.27Å; V340-L344 WeakPolarHBondContact O-CB 3.46Å; V340-L344 PolarHBondContact O-N 2.77Å; V340-H401 HydrophobicContact CG2-CB 4.04Å; V340-T402 WeakPolarHBondContact CG1-OG1 3.42Å
341	Q	89.1	Confident	90	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-43.6	178.9	-177.5	60.6	29.9	0	0	111.6	A337 E338 S339 E343 L344 E345	A337-Q341 PolarHBondContact O-N 3.4Å; E338-Q341 PolarHBondContact O-N 3.16Å; S339-Q341 VanDerWaalsContact C-N 3.31Å; S339-Q341 PolarHBondContact O-N 3.18Å; Q341-E343 PolarHBondContact O-N 3.15Å; Q341-L344 PolarHBondContact O-N 2.89Å; Q341-E345 PolarHBondContact NE2-OE1 2.74Å; Q341-E345 WeakPolarHBondContact O-CG 3.18Å; Q341-E345 PolarHBondContact O-N 2.61Å
342	Q	92.4	Very high	89.6	Confident	123 Å²	123	57.3 Å²	57.3	58%	0.575	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-41.3	176	-72.2	173	14.8	0	0	112.4	E338 S339 V340 E345 S346	E338-Q342 WeakPolarHBondContact O-CG 3.37Å; E338-Q342 PolarHBondContact O-N 2.62Å; S339-Q342 PolarHBondContact O-N 3.41Å; V340-Q342 PolarHBondContact O-N 2.86Å; Q342-E345 PolarHBondContact O-N 2.71Å; Q342-S346 WeakPolarHBondContact O-CB 3.27Å; Q342-S346 PolarHBondContact O-N 2.96Å
343	E	89.8	Confident	89.1	Confident	59 Å²	59	59 Å²	59	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-38.5	176.8	-74.1	-154.9	168.6	0	0	112.6	F324 S339 V340 Q341 S346 Y347 I398	F324-E343 VanDerWaalsContact CD2-CD 3.43Å; F324-E343 HydrophobicContact CD2-CG 4.25Å; F324-E343 WeakPolarHBondContact CD2-OE1 3.36Å; F324-E343 WeakPolarHBondContact CD2-OE2 3.09Å; F324-E343 HydrophobicContact CE2-CG 4.47Å; S339-E343 PolarHBondContact O-N 3.43Å; V340-E343 PolarHBondContact O-N 3.27Å; Q341-E343 PolarHBondContact O-N 3.15Å; E343-S346 PolarHBondContact O-N 2.64Å; E343-Y347 WeakPolarHBondContact O-CB 3.34Å; E343-Y347 PolarHBondContact O-N 3Å; E343-I398 HydrophobicContact CB-CD1 4.29Å; E343-I398 HydrophobicContact CB-CG1 4.19Å
344	L	88.9	Confident	88.4	Confident	32 Å²	32	59.9 Å²	59.9	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-43.6	175.6	-178.6	64.3	0	0	0	111.7	V340 Q341 Y347 R348 I398	V340-L344 WeakPolarHBondContact O-CB 3.46Å; V340-L344 PolarHBondContact O-N 2.77Å; Q341-L344 PolarHBondContact O-N 2.89Å; L344-Y347 PolarHBondContact O-N 2.98Å; L344-R348 WeakPolarHBondContact O-CG 3.45Å; L344-R348 PolarHBondContact O-N 3.21Å; L344-I398 HydrophobicContact CB-CG2 4.17Å; L344-I398 HydrophobicContact CD1-CG2 3.88Å
345	E	90.4	Very high	87.9	Confident	106 Å²	106	64.1 Å²	64.1	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-43.5	175.7	-73.5	172.2	-168.3	0	0	111.7	Q341 Q342 Y347 R348 A349	Q341-E345 PolarHBondContact NE2-OE1 2.74Å; Q341-E345 WeakPolarHBondContact O-CG 3.18Å; Q341-E345 PolarHBondContact O-N 2.61Å; Q342-E345 PolarHBondContact O-N 2.71Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 3.44Å; E345-R348 PolarHBondContact O-N 3.32Å; E345-A349 PolarHBondContact O-N 3.37Å
346	S	88.9	Confident	87.4	Confident	54 Å²	54	67.3 Å²	67.3	38%	0.378	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-41.8	174.2	177.1	0	0	0	0	111.9	Q342 E343 Q350	Q342-S346 WeakPolarHBondContact O-CB 3.27Å; Q342-S346 PolarHBondContact O-N 2.96Å; E343-S346 PolarHBondContact O-N 2.64Å; S346-Q350 WeakPolarHBondContact O-CG 3.21Å; S346-Q350 PolarHBondContact O-N 2.83Å; S346-Q350 VanDerWaalsContact O-N 3.15Å
347	Y	88.1	Confident	86.4	Confident	22 Å²	22	69.5 Å²	69.5	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-64.8	-46.1	176.5	173.8	-96.3	0	0	0	112.1	E343 L344 E345 A349 Q350 E351 L391 K395 I398	E343-Y347 WeakPolarHBondContact O-CB 3.34Å; E343-Y347 PolarHBondContact O-N 3Å; L344-Y347 PolarHBondContact O-N 2.98Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 3.44Å; Y347-A349 VanDerWaalsContact C-N 3.31Å; Y347-A349 PolarHBondContact O-N 2.93Å; Y347-Q350 WeakPolarHBondContact O-CB 3.35Å; Y347-Q350 PolarHBondContact O-N 3.05Å; Y347-Q350 VanDerWaalsContact O-N 3.1Å; Y347-E351 HydrophobicContact CE1-CB 4.44Å; Y347-E351 PolarHBondContact O-N 2.88Å; Y347-L391 WeakPolarHBondContact CE2-O 3.32Å; Y347-K395 HydrophobicContact CE1-CB 4.4Å; Y347-K395 HydrophobicContact CE1-CD 4.41Å; Y347-K395 HydrophobicContact CE1-CG 4.09Å; Y347-K395 HydrophobicContact CE2-CB 3.77Å; Y347-K395 HydrophobicContact CE2-CG 4.35Å; Y347-K395 WeakPolarHBondContact OH-CD 3.42Å; Y347-I398 HydrophobicContact CD2-CD1 4.31Å; Y347-I398 HydrophobicContact CG-CD1 3.98Å
348	R	87.8	Confident	85.5	Confident	141 Å²	141	73.2 Å²	73.2	53%	0.532	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-43.3	177.1	-74.6	178.2	-178.4	-176.2	1.9	111.8	L344 E345 Q350 E351 D352	L344-R348 WeakPolarHBondContact O-CG 3.45Å; L344-R348 PolarHBondContact O-N 3.21Å; E345-R348 PolarHBondContact O-N 3.32Å; R348-Q350 VanDerWaalsContact C-N 3.33Å; R348-Q350 PolarHBondContact O-N 3.48Å; R348-E351 PolarHBondContact O-N 2.97Å; R348-D352 WeakPolarHBondContact O-CB 3.24Å; R348-D352 VanDerWaalsContact O-CG 3.3Å; R348-D352 PolarHBondContact O-N 3.39Å
349	A	87.9	Confident	84.6	Confident	62 Å²	62	72.5 Å²	72.5	51%	0.512	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-39.3	175.9	0	0	0	0	0	112.8	E345 Y347 E353	E345-A349 PolarHBondContact O-N 3.37Å; Y347-A349 VanDerWaalsContact C-N 3.31Å; Y347-A349 PolarHBondContact O-N 2.93Å; A349-E353 PolarHBondContact O-N 3.44Å; A349-E353 VanDerWaalsContact O-N 3.14Å
350	Q	85.2	Confident	83.4	Confident	78 Å²	78	77.9 Å²	77.9	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-67.9	-41.8	175.3	-70.8	175.2	-11.2	0	0	111.9	S346 Y347 R348 E353 V354 L391	S346-Q350 WeakPolarHBondContact O-CG 3.21Å; S346-Q350 PolarHBondContact O-N 2.83Å; S346-Q350 VanDerWaalsContact O-N 3.15Å; Y347-Q350 WeakPolarHBondContact O-CB 3.35Å; Y347-Q350 PolarHBondContact O-N 3.05Å; Y347-Q350 VanDerWaalsContact O-N 3.1Å; R348-Q350 VanDerWaalsContact C-N 3.33Å; R348-Q350 PolarHBondContact O-N 3.48Å; Q350-E353 PolarHBondContact O-N 2.97Å; Q350-V354 WeakPolarHBondContact O-CG2 3.33Å; Q350-V354 PolarHBondContact O-N 3.21Å; Q350-L391 HydrophobicContact CB-CD2 4.22Å
351	E	83.6	Confident	81.7	Confident	60 Å²	60	79.4 Å²	79.4	28%	0.28	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-43.6	177.2	-167.6	-169.8	167.7	0	0	111.6	Y347 R348 E353 V354 K355	Y347-E351 HydrophobicContact CE1-CB 4.44Å; Y347-E351 PolarHBondContact O-N 2.88Å; R348-E351 PolarHBondContact O-N 2.97Å; E351-E353 VanDerWaalsContact C-N 3.34Å; E351-E353 PolarHBondContact O-N 3.43Å; E351-V354 PolarHBondContact O-N 2.98Å; E351-K355 VanDerWaalsContact CD-NZ 3.35Å; E351-K355 WeakPolarHBondContact O-CG 3.42Å; E351-K355 PolarHBondContact O-N 3.27Å; E351-K355 WeakPolarHBondContact OE1-CE 3.23Å; E351-K355 IonicContact OE1-NZ 2.72Å; E351-K355 PolarHBondContact OE1-NZ 2.97Å
352	D	85.3	Confident	80.1	Confident	88 Å²	88	77.9 Å²	77.9	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-36.7	178.3	-73.2	-19.7	0	0	0	112	R348 K355 R356	R348-D352 WeakPolarHBondContact O-CB 3.24Å; R348-D352 VanDerWaalsContact O-CG 3.3Å; R348-D352 PolarHBondContact O-N 3.39Å; D352-K355 PolarHBondContact O-N 2.98Å; D352-R356 VanDerWaalsContact O-CB 3.27Å; D352-R356 WeakPolarHBondContact O-CB 3.47Å; D352-R356 PolarHBondContact O-N 3.29Å
353	E	81.8	Confident	78.4	Confident	77 Å²	77	77.4 Å²	77.4	36%	0.36	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-41.1	173.2	-176	59.8	-165.8	0	0	111.5	A349 Q350 E351 K355 R356 L357	A349-E353 PolarHBondContact O-N 3.44Å; A349-E353 VanDerWaalsContact O-N 3.14Å; Q350-E353 PolarHBondContact O-N 2.97Å; E351-E353 VanDerWaalsContact C-N 3.34Å; E351-E353 PolarHBondContact O-N 3.43Å; E353-K355 PolarHBondContact O-N 2.92Å; E353-R356 PolarHBondContact O-N 3.45Å; E353-R356 IonicContact OE2-CZ 3.69Å; E353-R356 IonicContact OE2-NH1 2.77Å; E353-R356 PolarHBondContact OE2-NH1 3.39Å; E353-L357 HydrophobicContact CG-CD1 4.32Å; E353-L357 WeakPolarHBondContact O-CB 3.09Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.16Å; E353-L357 PolarHBondContact O-N 3.2Å
354	V	78.1	Confident	76.3	Confident	24 Å²	24	82.8 Å²	82.8	15%	0.145	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-41.5	174	171.9	0	0	0	0	111.3	Q350 E351 L357 K358 L391	Q350-V354 WeakPolarHBondContact O-CG2 3.33Å; Q350-V354 PolarHBondContact O-N 3.21Å; E351-V354 PolarHBondContact O-N 2.98Å; V354-L357 PolarHBondContact O-N 2.95Å; V354-K358 WeakPolarHBondContact O-CG 3.4Å; V354-K358 PolarHBondContact O-N 3.27Å; V354-L391 HydrophobicContact CG2-CD1 3.96Å
355	K	79.6	Confident	74.4	Confident	107 Å²	107	83.6 Å²	83.6	47%	0.465	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-43.4	174.9	-75.1	174.6	-176.1	161.1	0	111.7	E351 D352 E353 K358 S359	E351-K355 VanDerWaalsContact CD-NZ 3.35Å; E351-K355 WeakPolarHBondContact O-CG 3.42Å; E351-K355 PolarHBondContact O-N 3.27Å; E351-K355 WeakPolarHBondContact OE1-CE 3.23Å; E351-K355 IonicContact OE1-NZ 2.72Å; E351-K355 PolarHBondContact OE1-NZ 2.97Å; D352-K355 PolarHBondContact O-N 2.98Å; E353-K355 PolarHBondContact O-N 2.92Å; K355-K358 WeakPolarHBondContact O-CB 3.4Å; K355-K358 PolarHBondContact O-N 2.88Å; K355-S359 WeakPolarHBondContact O-CB 3.4Å; K355-S359 PolarHBondContact O-N 2.79Å
356	R	80.1	Confident	72.1	Confident	149 Å²	149	88.6 Å²	88.6	56%	0.562	46%	0.462	S	S	*	.	H	α-helix	trans	-60.1	-46.1	175.4	-178.2	-173.6	-68.9	151.2	-5.2	111.1	D352 E353 K358 S359 I360	D352-R356 VanDerWaalsContact O-CB 3.27Å; D352-R356 WeakPolarHBondContact O-CB 3.47Å; D352-R356 PolarHBondContact O-N 3.29Å; E353-R356 PolarHBondContact O-N 3.45Å; E353-R356 IonicContact OE2-CZ 3.69Å; E353-R356 IonicContact OE2-NH1 2.77Å; E353-R356 PolarHBondContact OE2-NH1 3.39Å; R356-K358 VanDerWaalsContact C-N 3.32Å; R356-K358 PolarHBondContact O-N 3.06Å; R356-S359 PolarHBondContact O-N 3.04Å; R356-I360 HydrophobicContact CG-CD1 3.78Å; R356-I360 HydrophobicContact CG-CG1 4.33Å; R356-I360 WeakPolarHBondContact O-CB 3.32Å; R356-I360 WeakPolarHBondContact O-CG1 3.34Å; R356-I360 PolarHBondContact O-N 2.88Å
357	L	72.6	Confident	70	Confident	47 Å²	47	93.1 Å²	93.1	25%	0.246	48%	0.482	C	S	.	.	H	α-helix	trans	-60	-42.1	175.5	-72.9	169.4	0	0	0	111.2	E353 V354 M361	E353-L357 HydrophobicContact CG-CD1 4.32Å; E353-L357 WeakPolarHBondContact O-CB 3.09Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.16Å; E353-L357 PolarHBondContact O-N 3.2Å; V354-L357 PolarHBondContact O-N 2.95Å; L357-M361 WeakPolarHBondContact O-CB 3.47Å; L357-M361 WeakPolarHBondContact O-CG 3.36Å; L357-M361 PolarHBondContact O-N 3.38Å
358	K	70.3	Confident	68	Low	112 Å²	112	101.2 Å²	101.2	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-42	173.6	-74	-179.5	177.7	-173.8	0	113	V354 K355 R356 M361	V354-K358 WeakPolarHBondContact O-CG 3.4Å; V354-K358 PolarHBondContact O-N 3.27Å; K355-K358 WeakPolarHBondContact O-CB 3.4Å; K355-K358 PolarHBondContact O-N 2.88Å; R356-K358 VanDerWaalsContact C-N 3.32Å; R356-K358 PolarHBondContact O-N 3.06Å; K358-M361 PolarHBondContact O-N 3.05Å
359	S	71.4	Confident	66	Low	63 Å²	63	97.7 Å²	97.7	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-71	-43.2	-177.5	-176.7	0	0	0	0	113	K355 R356 M361 G362	K355-S359 WeakPolarHBondContact O-CB 3.4Å; K355-S359 PolarHBondContact O-N 2.79Å; R356-S359 PolarHBondContact O-N 3.04Å; S359-M361 PolarHBondContact O-N 3.29Å; S359-G362 PolarHBondContact O-N 3.05Å; S359-G362 VanDerWaalsContact O-N 3.11Å
360	I	68.9	Low	64.1	Low	126 Å²	126	99 Å²	99	65%	0.646	54%	0.539	S	S	*	.	H	α-helix	trans	-56.4	-24.7	173.2	-71.2	171.3	0	0	0	111.4	R356	R356-I360 HydrophobicContact CG-CD1 3.78Å; R356-I360 HydrophobicContact CG-CG1 4.33Å; R356-I360 WeakPolarHBondContact O-CB 3.32Å; R356-I360 WeakPolarHBondContact O-CG1 3.34Å; R356-I360 PolarHBondContact O-N 2.88Å
361	M	55.9	Low	62.4	Low	47 Å²	47	102.8 Å²	102.8	23%	0.232	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	4.3	-175.3	-65.3	-175.8	70.3	0	0	114.5	L357 K358 S359 L363 N377 L381	L357-M361 WeakPolarHBondContact O-CB 3.47Å; L357-M361 WeakPolarHBondContact O-CG 3.36Å; L357-M361 PolarHBondContact O-N 3.38Å; K358-M361 PolarHBondContact O-N 3.05Å; S359-M361 PolarHBondContact O-N 3.29Å; M361-L363 HydrophobicContact CB-CD1 4.19Å; M361-L363 PolarHBondContact O-N 2.89Å; M361-N377 HydrophobicContact CE-CB 4.06Å; M361-L381 HydrophobicContact CE-CD1 3.15Å; M361-L381 HydrophobicContact CE-CD2 4.12Å; M361-L381 HydrophobicContact CE-CG 3.32Å; M361-L381 HydrophobicContact SD-CD1 4.34Å; M361-L381 HydrophobicContact SD-CD2 4.37Å; M361-L381 HydrophobicContact SD-CG 3.87Å
362	G	56	Low	60.6	Low	58 Å²	58	105.2 Å²	105.2	60%	0.598	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.3	14.4	173.1	0	0	0	0	0	115.3	S359 E364	S359-G362 PolarHBondContact O-N 3.05Å; S359-G362 VanDerWaalsContact O-N 3.11Å; G362-E364 PolarHBondContact O-N 2.77Å; G362-E364 VanDerWaalsContact O-N 3.16Å
363	L	55.3	Low	58.8	Low	114 Å²	114	109.1 Å²	109.1	60%	0.597	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	12.1	-178.4	-74.3	162.1	0	0	0	114.1	M361	M361-L363 HydrophobicContact CB-CD1 4.19Å; M361-L363 PolarHBondContact O-N 2.89Å
364	E	47	Very low	57.3	Low	171 Å²	171	110.2 Å²	110.2	80%	0.799	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	8.6	174.4	-73.2	-173.4	153.1	0	0	113.1	G362	G362-E364 PolarHBondContact O-N 2.77Å; G362-E364 VanDerWaalsContact O-N 3.16Å
365	G	47.6	Very low	56.3	Low	50 Å²	50	113.9 Å²	113.9	52%	0.515	64%	0.636	S	S	.	*	S	Bend	trans	-130	141.7	174	0	0	0	0	0	112.4	D367	G365-D367 PolarHBondContact O-N 3.25Å
366	E	43	Very low	55.2	Low	211 Å²	211	115.1 Å²	115.1	99%	0.986	65%	0.647	S	S	*	*			trans	-65.3	35	178.9	-61.9	178.8	144.5	0	0	114.7
367	D	44.8	Very low	54.1	Low	149 Å²	149	110.3 Å²	110.3	80%	0.797	63%	0.633	S	S	*	*			trans	-109.1	97.7	-176.8	-143.3	-4	0	0	0	111.6	G365 G369	G365-D367 PolarHBondContact O-N 3.25Å; D367-G369 PolarHBondContact O-N 2.9Å
368	E	45.6	Very low	53.5	Low	191 Å²	191	111.9 Å²	111.9	89%	0.893	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	20.3	-174.3	-136.6	176.2	-168.6	0	0	113.7
369	G	47.1	Very low	53	Low	67 Å²	67	109.8 Å²	109.8	69%	0.691	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-9.4	-164	0	0	0	0	0	118	D367	D367-G369 PolarHBondContact O-N 2.9Å
370	A	46.6	Very low	52.4	Low	90 Å²	90	112.9 Å²	112.9	74%	0.744	65%	0.653	S	S	*	*			trans	-112.8	32.2	-166.6	0	0	0	0	0	115.5	S372	A370-S372 PolarHBondContact O-N 3.24Å
371	I	49	Very low	51.9	Low	157 Å²	157	109.9 Å²	109.9	81%	0.805	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-9.4	-174.6	-67.2	175.5	0	0	0	113.7
372	S	46.2	Very low	52.2	Low	111 Å²	111	111.9 Å²	111.9	78%	0.776	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	6.7	-164.6	107.3	0	0	0	0	118	A370	A370-S372 PolarHBondContact O-N 3.24Å
373	M	49.1	Very low	52.8	Low	171 Å²	171	112.6 Å²	112.6	84%	0.842	65%	0.649	S	S	*	*	S	Bend	trans	-132.6	27.3	-170.9	-76.6	-149.1	172.8	0	0	118.2
374	L	49.9	Very low	53.1	Low	99 Å²	99	108.1 Å²	108.1	52%	0.518	63%	0.628	S	S	.	*			trans	-143.2	78.8	-179.7	-65.5	167.1	0	0	0	114.5	D376 N377 T378	L374-D376 VanDerWaalsContact C-N 3.33Å; L374-D376 PolarHBondContact O-N 3.01Å; L374-N377 HydrophobicContact CB-CB 3.98Å; L374-N377 HydrophobicContact CD1-CB 4.4Å; L374-N377 PolarHBondContact O-N 3.49Å; L374-T378 PolarHBondContact O-N 3.22Å; L374-T378 PolarHBondContact O-OG1 3.39Å
375	S	57.1	Low	54	Low	101 Å²	101	104.3 Å²	104.3	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-65.2	-30.1	179	63.1	0	0	0	0	114.4
376	D	56.6	Low	55.1	Low	133 Å²	133	105.8 Å²	105.8	71%	0.711	62%	0.619	S	S	*	*	H	α-helix	trans	-84.3	-23	-179.8	-72.5	-13.6	0	0	0	113.2	L374	L374-D376 VanDerWaalsContact C-N 3.33Å; L374-D376 PolarHBondContact O-N 3.01Å
377	N	55.8	Low	56.7	Low	49 Å²	49	97.2 Å²	97.2	26%	0.262	58%	0.583	S	S	.	*	H	α-helix	trans	-85.1	-20.7	175.9	-66.7	-22.4	0	0	0	112.6	M361 L374 A379 K380 L381	M361-N377 HydrophobicContact CE-CB 4.06Å; L374-N377 HydrophobicContact CB-CB 3.98Å; L374-N377 HydrophobicContact CD1-CB 4.4Å; L374-N377 PolarHBondContact O-N 3.49Å; N377-A379 VanDerWaalsContact C-N 3.33Å; N377-A379 PolarHBondContact O-N 3.26Å; N377-K380 PolarHBondContact O-N 3.06Å; N377-L381 WeakPolarHBondContact O-CB 3.39Å; N377-L381 PolarHBondContact O-N 3.49Å
378	T	59.5	Low	58.2	Low	80 Å²	80	93.2 Å²	93.2	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-63.8	-36.9	173.5	-46.1	0	0	0	0	112.1	L374 L381 T382	L374-T378 PolarHBondContact O-N 3.22Å; L374-T378 PolarHBondContact O-OG1 3.39Å; T378-L381 PolarHBondContact O-N 3.3Å; T378-T382 WeakPolarHBondContact O-CB 3.21Å; T378-T382 PolarHBondContact O-N 2.99Å; T378-T382 PolarHBondContact O-OG1 2.88Å
379	A	60.7	Low	60	Low	67 Å²	67	88.2 Å²	88.2	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-42.1	176.4	0	0	0	0	0	111.9	N377 T382 S383	N377-A379 VanDerWaalsContact C-N 3.33Å; N377-A379 PolarHBondContact O-N 3.26Å; A379-T382 PolarHBondContact O-N 3.4Å; A379-S383 WeakPolarHBondContact O-CB 3.37Å; A379-S383 PolarHBondContact O-N 3.29Å
380	K	59.3	Low	61.7	Low	128 Å²	128	92 Å²	92	56%	0.557	55%	0.545	S	S	*	.	H	α-helix	trans	-68.5	-37	175.2	-70	-177.6	-179.4	176.5	0	112.4	N377 S383 A384	N377-K380 PolarHBondContact O-N 3.06Å; K380-S383 PolarHBondContact O-N 3.01Å; K380-A384 WeakPolarHBondContact O-CB 3.47Å; K380-A384 PolarHBondContact O-N 3.03Å
381	L	57.1	Low	63.5	Low	63 Å²	63	89 Å²	89	33%	0.33	52%	0.516	S	S	.	.	H	α-helix	trans	-60.6	-50.5	170.3	-103.9	170.4	0	0	0	111.8	M361 N377 T378 S383 A384 V385	M361-L381 HydrophobicContact CE-CD1 3.15Å; M361-L381 HydrophobicContact CE-CD2 4.12Å; M361-L381 HydrophobicContact CE-CG 3.32Å; M361-L381 HydrophobicContact SD-CD1 4.34Å; M361-L381 HydrophobicContact SD-CD2 4.37Å; M361-L381 HydrophobicContact SD-CG 3.87Å; N377-L381 WeakPolarHBondContact O-CB 3.39Å; N377-L381 PolarHBondContact O-N 3.49Å; T378-L381 PolarHBondContact O-N 3.3Å; L381-S383 VanDerWaalsContact C-N 3.25Å; L381-S383 PolarHBondContact O-N 3.3Å; L381-A384 PolarHBondContact O-N 3.43Å; L381-V385 WeakPolarHBondContact O-CB 3.34Å; L381-V385 VanDerWaalsContact O-CG2 3.28Å; L381-V385 WeakPolarHBondContact O-CG2 3.34Å; L381-V385 PolarHBondContact O-N 2.85Å
382	T	62.8	Low	65.3	Low	90 Å²	90	87 Å²	87	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-60.2	-41	179.5	-54.8	0	0	0	0	110.1	T378 A379 S386	T378-T382 WeakPolarHBondContact O-CB 3.21Å; T378-T382 PolarHBondContact O-N 2.99Å; T378-T382 PolarHBondContact O-OG1 2.88Å; A379-T382 PolarHBondContact O-N 3.4Å; T382-S386 VanDerWaalsContact O-CB 3.23Å; T382-S386 WeakPolarHBondContact O-CB 3.4Å; T382-S386 PolarHBondContact O-N 3.33Å; T382-S386 PolarHBondContact O-OG 3.08Å
383	S	67.9	Low	67.2	Low	72 Å²	72	85.8 Å²	85.8	50%	0.503	49%	0.488	S	S	.	.	H	α-helix	trans	-66	-45.1	175.2	179.8	0	0	0	0	113.3	A379 K380 L381 S386 S387	A379-S383 WeakPolarHBondContact O-CB 3.37Å; A379-S383 PolarHBondContact O-N 3.29Å; K380-S383 PolarHBondContact O-N 3.01Å; L381-S383 VanDerWaalsContact C-N 3.25Å; L381-S383 PolarHBondContact O-N 3.3Å; S383-S386 WeakPolarHBondContact CA-OG 3.41Å; S383-S386 PolarHBondContact O-N 3.12Å; S383-S386 PolarHBondContact O-OG 2.73Å; S383-S387 PolarHBondContact O-N 3.37Å; S383-S387 VanDerWaalsContact O-N 3.1Å; S383-S387 PolarHBondContact O-OG 2.78Å
384	A	63	Low	69	Low	20 Å²	20	80.2 Å²	80.2	17%	0.165	46%	0.46	C	S	.	.	H	α-helix	trans	-65.4	-41.8	177	0	0	0	0	0	112.1	K380 L381 S387 L388	K380-A384 WeakPolarHBondContact O-CB 3.47Å; K380-A384 PolarHBondContact O-N 3.03Å; L381-A384 PolarHBondContact O-N 3.43Å; A384-S387 WeakPolarHBondContact CA-OG 3.37Å; A384-S387 PolarHBondContact O-N 3.2Å; A384-S387 PolarHBondContact O-OG 3.34Å; A384-L388 WeakPolarHBondContact O-CG 3.5Å; A384-L388 PolarHBondContact O-N 2.96Å
385	V	65.7	Low	70.9	Confident	92 Å²	92	79.6 Å²	79.6	56%	0.558	45%	0.453	S	S	*	.	H	α-helix	trans	-66.4	-38	175.5	172.7	0	0	0	0	111.2	L381 S387	L381-V385 WeakPolarHBondContact O-CB 3.34Å; L381-V385 VanDerWaalsContact O-CG2 3.28Å; L381-V385 WeakPolarHBondContact O-CG2 3.34Å; L381-V385 PolarHBondContact O-N 2.85Å; V385-S387 VanDerWaalsContact C-N 3.29Å; V385-S387 PolarHBondContact O-N 3.33Å
386	S	71.2	Confident	72.6	Confident	80 Å²	80	80 Å²	80	56%	0.559	44%	0.439	S	S	*	.	H	α-helix	trans	-67.9	-25	176.6	69.1	0	0	0	0	114.1	T382 S383	T382-S386 VanDerWaalsContact O-CB 3.23Å; T382-S386 WeakPolarHBondContact O-CB 3.4Å; T382-S386 PolarHBondContact O-N 3.33Å; T382-S386 PolarHBondContact O-OG 3.08Å; S383-S386 WeakPolarHBondContact CA-OG 3.41Å; S383-S386 PolarHBondContact O-N 3.12Å; S383-S386 PolarHBondContact O-OG 2.73Å
387	S	75	Confident	74.3	Confident	32 Å²	32	75.1 Å²	75.1	22%	0.224	41%	0.412	C	S	.	.	H	α-helix	trans	-94.3	-8.7	-178.3	52.4	0	0	0	0	114.2	S383 A384 V385 E390 L391	S383-S387 PolarHBondContact O-N 3.37Å; S383-S387 VanDerWaalsContact O-N 3.1Å; S383-S387 PolarHBondContact O-OG 2.78Å; A384-S387 WeakPolarHBondContact CA-OG 3.37Å; A384-S387 PolarHBondContact O-N 3.2Å; A384-S387 PolarHBondContact O-OG 3.34Å; V385-S387 VanDerWaalsContact C-N 3.29Å; V385-S387 PolarHBondContact O-N 3.33Å; S387-E390 PolarHBondContact O-N 3.33Å; S387-L391 PolarHBondContact O-N 3.02Å
388	L	77.2	Confident	76	Confident	64 Å²	64	72.9 Å²	72.9	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-57.2	-45.4	178.1	-80.3	170	0	0	0	113.8	A384 E390 L391 L392	A384-L388 WeakPolarHBondContact O-CG 3.5Å; A384-L388 PolarHBondContact O-N 2.96Å; L388-E390 VanDerWaalsContact C-N 3.29Å; L388-E390 PolarHBondContact O-N 3.39Å; L388-L391 PolarHBondContact O-N 3.41Å; L388-L392 WeakPolarHBondContact O-CG 3.47Å; L388-L392 PolarHBondContact O-N 3.08Å
389	P	83.9	Confident	77.5	Confident	86 Å²	86	72.4 Å²	72.4	56%	0.558	40%	0.395	S	S	*	.	H	α-helix	trans	-61	-39	177.3	-23.6	35.1	0	0	0	112.6	L392 E393	P389-L392 PolarHBondContact O-N 2.91Å; P389-E393 PolarHBondContact O-N 3.09Å
390	E	83.2	Confident	79.1	Confident	148 Å²	148	69.3 Å²	69.3	69%	0.692	37%	0.369	S	S	*	.	H	α-helix	trans	-67	-40.8	177.5	-61.9	-174.6	165.4	0	0	111.6	S387 L388 E393 K394	S387-E390 PolarHBondContact O-N 3.33Å; L388-E390 VanDerWaalsContact C-N 3.29Å; L388-E390 PolarHBondContact O-N 3.39Å; E390-E393 PolarHBondContact O-N 3.33Å; E390-K394 VanDerWaalsContact O-CB 3.31Å; E390-K394 WeakPolarHBondContact O-CB 3.28Å; E390-K394 PolarHBondContact O-N 2.88Å
391	L	82.6	Confident	80.8	Confident	27 Å²	27	63.2 Å²	63.2	14%	0.141	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-38.2	175.4	-74.6	173.4	0	0	0	112.4	Y347 Q350 V354 S387 L388 K394 K395	Y347-L391 WeakPolarHBondContact CE2-O 3.32Å; Q350-L391 HydrophobicContact CB-CD2 4.22Å; V354-L391 HydrophobicContact CG2-CD1 3.96Å; S387-L391 PolarHBondContact O-N 3.02Å; L388-L391 PolarHBondContact O-N 3.41Å; L391-K394 PolarHBondContact O-N 3.2Å; L391-K395 WeakPolarHBondContact O-CB 3.29Å; L391-K395 PolarHBondContact O-N 2.83Å
392	L	86.6	Confident	82.5	Confident	115 Å²	115	62.2 Å²	62.2	60%	0.602	34%	0.339	S	S	*	.	H	α-helix	trans	-65.7	-43	175.5	-72.8	173.9	0	0	0	111.6	L388 P389 K395 R396	L388-L392 WeakPolarHBondContact O-CG 3.47Å; L388-L392 PolarHBondContact O-N 3.08Å; P389-L392 PolarHBondContact O-N 2.91Å; L392-K395 WeakPolarHBondContact O-CB 3.5Å; L392-K395 PolarHBondContact O-N 2.98Å; L392-R396 PolarHBondContact O-N 3.15Å
393	E	87.2	Confident	83.9	Confident	84 Å²	84	60.8 Å²	60.8	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-40.6	176.2	-177	57.1	-162.6	0	0	111.6	P389 E390 K395 R396 L397	P389-E393 PolarHBondContact O-N 3.09Å; E390-E393 PolarHBondContact O-N 3.33Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3.38Å; E393-R396 WeakPolarHBondContact O-CB 3.2Å; E393-R396 PolarHBondContact O-N 2.8Å; E393-R396 VanDerWaalsContact O-N 3.17Å; E393-R396 IonicContact OE1-CZ 3.64Å; E393-R396 VanDerWaalsContact OE1-CZ 3.3Å; E393-R396 IonicContact OE1-NE 3.42Å; E393-R396 PolarHBondContact OE1-NE 3.13Å; E393-R396 IonicContact OE1-NH2 2.9Å; E393-R396 PolarHBondContact OE1-NH2 2.79Å; E393-R396 IonicContact OE2-CZ 2.65Å; E393-R396 IonicContact OE2-NE 3.03Å; E393-R396 PolarHBondContact OE2-NE 2.86Å; E393-L397 PolarHBondContact O-N 3.03Å
394	K	87.6	Confident	85.2	Confident	55 Å²	55	57.3 Å²	57.3	24%	0.239	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-45.2	173.2	-175.7	176.8	174.8	-175.1	0	111.4	E390 L391 R396 L397 I398	E390-K394 VanDerWaalsContact O-CB 3.31Å; E390-K394 WeakPolarHBondContact O-CB 3.28Å; E390-K394 PolarHBondContact O-N 2.88Å; L391-K394 PolarHBondContact O-N 3.2Å; K394-R396 VanDerWaalsContact C-N 3.33Å; K394-R396 PolarHBondContact O-N 3.27Å; K394-L397 PolarHBondContact O-N 2.88Å; K394-I398 HydrophobicContact CG-CD1 3.98Å; K394-I398 WeakPolarHBondContact O-CG1 3.47Å; K394-I398 PolarHBondContact O-N 3.14Å
395	K	89.3	Confident	86.7	Confident	86 Å²	86	56.8 Å²	56.8	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-46.4	174.2	-172	-169.8	179.6	170.7	0	111.2	Y347 L391 L392 E393 L397 I398 D399	Y347-K395 HydrophobicContact CE1-CB 4.4Å; Y347-K395 HydrophobicContact CE1-CD 4.41Å; Y347-K395 HydrophobicContact CE1-CG 4.09Å; Y347-K395 HydrophobicContact CE2-CB 3.77Å; Y347-K395 HydrophobicContact CE2-CG 4.35Å; Y347-K395 WeakPolarHBondContact OH-CD 3.42Å; L391-K395 WeakPolarHBondContact O-CB 3.29Å; L391-K395 PolarHBondContact O-N 2.83Å; L392-K395 WeakPolarHBondContact O-CB 3.5Å; L392-K395 PolarHBondContact O-N 2.98Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3.38Å; K395-L397 VanDerWaalsContact C-N 3.31Å; K395-L397 PolarHBondContact O-N 3.21Å; K395-I398 PolarHBondContact O-N 2.72Å; K395-D399 WeakPolarHBondContact O-CB 3.33Å; K395-D399 PolarHBondContact O-N 2.84Å
396	R	92	Very high	88	Confident	110 Å²	110	55.6 Å²	55.6	42%	0.415	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-42.8	179.5	-167.6	-165	70.3	73.7	0.9	112	L392 E393 K394 L400	L392-R396 PolarHBondContact O-N 3.15Å; E393-R396 WeakPolarHBondContact O-CB 3.2Å; E393-R396 PolarHBondContact O-N 2.8Å; E393-R396 VanDerWaalsContact O-N 3.17Å; E393-R396 IonicContact OE1-CZ 3.64Å; E393-R396 VanDerWaalsContact OE1-CZ 3.3Å; E393-R396 IonicContact OE1-NE 3.42Å; E393-R396 PolarHBondContact OE1-NE 3.13Å; E393-R396 IonicContact OE1-NH2 2.9Å; E393-R396 PolarHBondContact OE1-NH2 2.79Å; E393-R396 IonicContact OE2-CZ 2.65Å; E393-R396 IonicContact OE2-NE 3.03Å; E393-R396 PolarHBondContact OE2-NE 2.86Å; K394-R396 VanDerWaalsContact C-N 3.33Å; K394-R396 PolarHBondContact O-N 3.27Å; R396-L400 WeakPolarHBondContact O-CB 3.47Å; R396-L400 PolarHBondContact O-N 3.07Å
397	L	91.9	Very high	89.1	Confident	29 Å²	29	52.4 Å²	52.4	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-41.6	176.9	-68.1	177.1	0	0	0	112.3	D322 E393 K394 K395 L400 H401	D322-L397 HydrophobicContact CB-CD2 4.29Å; E393-L397 PolarHBondContact O-N 3.03Å; K394-L397 PolarHBondContact O-N 2.88Å; K395-L397 VanDerWaalsContact C-N 3.31Å; K395-L397 PolarHBondContact O-N 3.21Å; L397-L400 WeakPolarHBondContact O-CB 3.07Å; L397-L400 PolarHBondContact O-N 2.91Å; L397-H401 PolarHBondContact O-CD2 3.36Å; L397-H401 VanDerWaalsContact O-CD2 3.27Å; L397-H401 PolarHBondContact O-N 3Å
398	I	91.4	Very high	90	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-47	175	-68.4	166.4	0	0	0	110.5	E343 L344 Y347 K394 K395 L400 H401 T402	E343-I398 HydrophobicContact CB-CD1 4.29Å; E343-I398 HydrophobicContact CB-CG1 4.19Å; L344-I398 HydrophobicContact CB-CG2 4.17Å; L344-I398 HydrophobicContact CD1-CG2 3.88Å; Y347-I398 HydrophobicContact CD2-CD1 4.31Å; Y347-I398 HydrophobicContact CG-CD1 3.98Å; K394-I398 HydrophobicContact CG-CD1 3.98Å; K394-I398 WeakPolarHBondContact O-CG1 3.47Å; K394-I398 PolarHBondContact O-N 3.14Å; K395-I398 PolarHBondContact O-N 2.72Å; I398-L400 VanDerWaalsContact C-N 3.3Å; I398-L400 PolarHBondContact O-N 3.07Å; I398-H401 PolarHBondContact O-N 3.1Å; I398-T402 VanDerWaalsContact O-CB 3.29Å; I398-T402 WeakPolarHBondContact O-CB 3.47Å; I398-T402 PolarHBondContact O-N 2.63Å; I398-T402 PolarHBondContact O-OG1 3.39Å
399	D	91.5	Very high	90.7	Very high	70 Å²	70	50.8 Å²	50.8	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-41.6	177.2	-72.4	-19.6	0	0	0	110.7	K395 N403	K395-D399 WeakPolarHBondContact O-CB 3.33Å; K395-D399 PolarHBondContact O-N 2.84Å; D399-N403 WeakPolarHBondContact O-CB 3.38Å; D399-N403 PolarHBondContact O-N 3.36Å; D399-N403 PolarHBondContact O-ND2 3.45Å
400	L	94.3	Very high	91.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-56.3	174.7	179.3	160.6	0	0	0	111.1	Y316 L318 R396 L397 I398 T402 N403 V404	Y316-L400 HydrophobicContact CD1-CB 3.92Å; Y316-L400 HydrophobicContact CD1-CD1 3.94Å; Y316-L400 HydrophobicContact CD1-CG 3.56Å; Y316-L400 HydrophobicContact CE1-CB 4.32Å; Y316-L400 HydrophobicContact CE1-CG 4.39Å; Y316-L400 HydrophobicContact CG-CD1 4.36Å; Y316-L400 HydrophobicContact CG-CG 3.99Å; L318-L400 HydrophobicContact CD2-CD2 3.64Å; R396-L400 WeakPolarHBondContact O-CB 3.47Å; R396-L400 PolarHBondContact O-N 3.07Å; L397-L400 WeakPolarHBondContact O-CB 3.07Å; L397-L400 PolarHBondContact O-N 2.91Å; I398-L400 VanDerWaalsContact C-N 3.3Å; I398-L400 PolarHBondContact O-N 3.07Å; L400-T402 VanDerWaalsContact C-N 3.34Å; L400-T402 PolarHBondContact O-N 3.26Å; L400-N403 PolarHBondContact O-N 2.96Å; L400-V404 HydrophobicContact CD2-CG2 4.27Å; L400-V404 WeakPolarHBondContact O-CG2 3.3Å; L400-V404 PolarHBondContact O-N 3.36Å
401	H	94.9	Very high	91.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-33.3	-176.7	-75.5	-59.7	0	0	0	113.2	Y276 D322 F324 V340 L397 I398 A405	Y276-H401 AromaticContact CE1-ND1 3.86Å; Y276-H401 PolarHBondContact OH-ND1 3.09Å; D322-H401 IonicContact OD1-NE2 2.75Å; D322-H401 PolarHBondContact OD1-NE2 3.28Å; D322-H401 IonicContact OD2-CD2 2.66Å; D322-H401 IonicContact OD2-CE1 2.64Å; D322-H401 IonicContact OD2-NE2 3.22Å; D322-H401 PolarHBondContact OD2-NE2 2.89Å; F324-H401 HydrophobicContact CD1-CB 4.09Å; F324-H401 AromaticContact CD1-CD2 3.24Å; F324-H401 WeakPolarHBondContact CD1-CD2 3.35Å; F324-H401 AromaticContact CD1-CE1 3.56Å; F324-H401 AromaticContact CD1-CG 3.34Å; F324-H401 AromaticContact CD1-ND1 3.52Å; F324-H401 AromaticContact CD1-NE2 3.36Å; F324-H401 WeakPolarHBondContact CD1-NE2 3.5Å; F324-H401 HydrophobicContact CE1-CB 4.03Å; F324-H401 AromaticContact CE1-CG 3.68Å; F324-H401 AromaticContact CE1-ND1 3.8Å; F324-H401 AromaticContact CG-CD2 3.65Å; F324-H401 AromaticContact CG-NE2 3.91Å; V340-H401 HydrophobicContact CG2-CB 4.04Å; L397-H401 PolarHBondContact O-CD2 3.36Å; L397-H401 VanDerWaalsContact O-CD2 3.27Å; L397-H401 PolarHBondContact O-N 3Å; I398-H401 PolarHBondContact O-N 3.1Å; H401-A405 WeakPolarHBondContact O-CB 3.48Å; H401-A405 PolarHBondContact O-N 3.06Å
402	T	93.1	Very high	92.2	Very high	42 Å²	42	47.3 Å²	47.3	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-47.1	172.8	-57.7	0	0	0	0	110.8	V340 I398 L400 T406	V340-T402 WeakPolarHBondContact CG1-OG1 3.42Å; I398-T402 VanDerWaalsContact O-CB 3.29Å; I398-T402 WeakPolarHBondContact O-CB 3.47Å; I398-T402 PolarHBondContact O-N 2.63Å; I398-T402 PolarHBondContact O-OG1 3.39Å; L400-T402 VanDerWaalsContact C-N 3.34Å; L400-T402 PolarHBondContact O-N 3.26Å; T402-T406 VanDerWaalsContact O-CB 3.25Å; T402-T406 WeakPolarHBondContact O-CB 3.1Å; T402-T406 PolarHBondContact O-N 3.3Å; T402-T406 PolarHBondContact O-OG1 3.4Å
403	N	93.6	Very high	92.5	Very high	59 Å²	59	48.7 Å²	48.7	32%	0.316	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-45.4	179.7	-71	-45	0	0	0	112	L293 Y316 D399 L400 T406 A407	L293-N403 HydrophobicContact CD1-CB 4.41Å; Y316-N403 HydrophobicContact CE2-CB 4.37Å; Y316-N403 WeakPolarHBondContact OH-CB 3.3Å; Y316-N403 PolarHBondContact OH-ND2 3.06Å; D399-N403 WeakPolarHBondContact O-CB 3.38Å; D399-N403 PolarHBondContact O-N 3.36Å; D399-N403 PolarHBondContact O-ND2 3.45Å; L400-N403 PolarHBondContact O-N 2.96Å; N403-T406 PolarHBondContact O-N 3.24Å; N403-A407 PolarHBondContact O-N 3Å
404	V	94.9	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-47.6	178.9	175.7	0	0	0	0	111.1	Y276 V280 L284 V291 Y316 L400 T406 A407 V408	Y276-V404 HydrophobicContact CE2-CG1 4.2Å; Y276-V404 VanDerWaalsContact OH-CG1 3.3Å; Y276-V404 WeakPolarHBondContact OH-CG1 3.49Å; V280-V404 HydrophobicContact CG1-CG1 4.5Å; V280-V404 HydrophobicContact CG2-CG1 3.74Å; L284-V404 HydrophobicContact CD1-CG1 4.02Å; V291-V404 HydrophobicContact CG1-CG2 4.48Å; Y316-V404 HydrophobicContact CD2-CG2 4.39Å; L400-V404 HydrophobicContact CD2-CG2 4.27Å; L400-V404 WeakPolarHBondContact O-CG2 3.3Å; L400-V404 PolarHBondContact O-N 3.36Å; V404-T406 VanDerWaalsContact C-N 3.32Å; V404-T406 PolarHBondContact O-N 3.23Å; V404-A407 PolarHBondContact O-N 2.88Å; V404-V408 WeakPolarHBondContact O-CG2 3.43Å; V404-V408 PolarHBondContact O-N 2.82Å
405	A	94.1	Very high	93.2	Very high	9 Å²	9	47.3 Å²	47.3	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-35.8	179.1	0	0	0	0	0	112.3	F333 H401 V408 L409	F333-A405 HydrophobicContact CE2-CB 4.28Å; H401-A405 WeakPolarHBondContact O-CB 3.48Å; H401-A405 PolarHBondContact O-N 3.06Å; A405-V408 PolarHBondContact O-N 3.01Å; A405-L409 WeakPolarHBondContact O-CB 3.3Å; A405-L409 PolarHBondContact O-N 2.84Å
406	T	92.1	Very high	93.4	Very high	66 Å²	66	46.4 Å²	46.4	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-47.2	175	-59.2	0	0	0	0	111.1	T402 N403 V404 V408 L409 E410	T402-T406 VanDerWaalsContact O-CB 3.25Å; T402-T406 WeakPolarHBondContact O-CB 3.1Å; T402-T406 PolarHBondContact O-N 3.3Å; T402-T406 PolarHBondContact O-OG1 3.4Å; N403-T406 PolarHBondContact O-N 3.24Å; V404-T406 VanDerWaalsContact C-N 3.32Å; V404-T406 PolarHBondContact O-N 3.23Å; T406-V408 VanDerWaalsContact C-N 3.33Å; T406-V408 PolarHBondContact O-N 3.01Å; T406-L409 PolarHBondContact O-N 2.88Å; T406-L409 VanDerWaalsContact O-N 3.15Å; T406-E410 WeakPolarHBondContact O-CG 3.45Å; T406-E410 PolarHBondContact O-N 3.46Å
407	A	94.4	Very high	93.5	Very high	14 Å²	14	41.3 Å²	41.3	12%	0.116	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-41.8	177	0	0	0	0	0	112.1	L284 L293 N403 V404 E410 H411	L284-A407 HydrophobicContact CD1-CB 4.41Å; L284-A407 HydrophobicContact CD2-CB 3.97Å; L293-A407 HydrophobicContact CD1-CB 4.1Å; L293-A407 HydrophobicContact CD2-CB 3.91Å; N403-A407 PolarHBondContact O-N 3Å; V404-A407 PolarHBondContact O-N 2.88Å; A407-E410 PolarHBondContact O-N 3.12Å; A407-H411 PolarHBondContact O-CD2 2.89Å; A407-H411 VanDerWaalsContact O-CD2 3.23Å; A407-H411 PolarHBondContact O-N 3.37Å
408	V	94.4	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-46.9	173.3	170.9	0	0	0	0	111.2	L279 V280 V283 L284 F333 V404 A405 T406 E410 H411 I412	L279-V408 HydrophobicContact CD2-CG1 3.43Å; L279-V408 VanDerWaalsContact CD2-CG1 3.43Å; L279-V408 HydrophobicContact CG-CG1 3.64Å; V280-V408 HydrophobicContact CG2-CG2 3.84Å; V283-V408 HydrophobicContact CG2-CB 4.46Å; V283-V408 HydrophobicContact CG2-CG1 4.4Å; V283-V408 HydrophobicContact CG2-CG2 4.1Å; L284-V408 HydrophobicContact CD1-CG2 3.69Å; L284-V408 HydrophobicContact CG-CG2 4.18Å; F333-V408 HydrophobicContact CD2-CG1 3.99Å; F333-V408 HydrophobicContact CE1-CG1 4.38Å; F333-V408 HydrophobicContact CE2-CB 3.92Å; F333-V408 HydrophobicContact CE2-CG1 3.54Å; F333-V408 HydrophobicContact CZ-CB 4.12Å; F333-V408 HydrophobicContact CZ-CG1 3.76Å; V404-V408 WeakPolarHBondContact O-CG2 3.43Å; V404-V408 PolarHBondContact O-N 2.82Å; A405-V408 PolarHBondContact O-N 3.01Å; T406-V408 VanDerWaalsContact C-N 3.33Å; T406-V408 PolarHBondContact O-N 3.01Å; V408-E410 VanDerWaalsContact C-N 3.3Å; V408-E410 PolarHBondContact O-N 3.37Å; V408-H411 PolarHBondContact O-N 3.35Å; V408-H411 VanDerWaalsContact O-N 3.14Å; V408-I412 HydrophobicContact CG1-CD1 4.01Å; V408-I412 HydrophobicContact CG1-CG1 4.34Å; V408-I412 WeakPolarHBondContact O-CG1 3.41Å; V408-I412 PolarHBondContact O-N 3Å
409	L	92.6	Very high	93.5	Very high	61 Å²	61	43.6 Å²	43.6	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-36.8	-179.8	-177.7	63.3	0	0	0	112.5	F333 A405 T406 I412 K413	F333-L409 HydrophobicContact CE1-CB 4.32Å; F333-L409 HydrophobicContact CE1-CD1 4.14Å; F333-L409 HydrophobicContact CZ-CB 4.13Å; A405-L409 WeakPolarHBondContact O-CB 3.3Å; A405-L409 PolarHBondContact O-N 2.84Å; T406-L409 PolarHBondContact O-N 2.88Å; T406-L409 VanDerWaalsContact O-N 3.15Å; L409-I412 PolarHBondContact O-N 2.98Å; L409-K413 HydrophobicContact CD1-CD 4.44Å; L409-K413 HydrophobicContact CD1-CG 4.38Å; L409-K413 HydrophobicContact CG-CD 4.28Å; L409-K413 WeakPolarHBondContact O-CG 3.25Å; L409-K413 PolarHBondContact O-N 3.01Å
410	E	93.1	Very high	93.7	Very high	117 Å²	117	40.3 Å²	40.3	55%	0.547	22%	0.216	S	C	.	.	H	α-helix	trans	-59.8	-46.3	173.4	-73.3	176	179.4	0	0	111.2	T406 A407 V408 K413 A414	T406-E410 WeakPolarHBondContact O-CG 3.45Å; T406-E410 PolarHBondContact O-N 3.46Å; A407-E410 PolarHBondContact O-N 3.12Å; V408-E410 VanDerWaalsContact C-N 3.3Å; V408-E410 PolarHBondContact O-N 3.37Å; E410-K413 PolarHBondContact O-N 2.97Å; E410-A414 WeakPolarHBondContact O-CB 3.38Å; E410-A414 PolarHBondContact O-N 2.72Å
411	H	94.2	Very high	93.6	Very high	67 Å²	67	40.5 Å²	40.5	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-64.1	-41.8	175.7	-77.5	-69.6	0	0	0	113	V283 A407 V408 K413 R415	V283-H411 HydrophobicContact CB-CB 3.92Å; V283-H411 HydrophobicContact CG1-CB 4.37Å; V283-H411 HydrophobicContact CG2-CB 3.96Å; A407-H411 PolarHBondContact O-CD2 2.89Å; A407-H411 VanDerWaalsContact O-CD2 3.23Å; A407-H411 PolarHBondContact O-N 3.37Å; V408-H411 PolarHBondContact O-N 3.35Å; V408-H411 VanDerWaalsContact O-N 3.14Å; H411-K413 PolarHBondContact O-N 2.89Å; H411-R415 WeakPolarHBondContact O-CB 3.41Å; H411-R415 PolarHBondContact O-N 2.78Å; H411-R415 VanDerWaalsContact O-N 3.1Å
412	I	92.9	Very high	93.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-51.1	176.1	-65.8	170.4	0	0	0	110.1	W274 L279 F333 V408 L409 K416 L417	W274-I412 HydrophobicContact CH2-CD1 4.24Å; W274-I412 HydrophobicContact CH2-CG2 3.85Å; W274-I412 HydrophobicContact CZ3-CD1 4.49Å; W274-I412 HydrophobicContact CZ3-CG2 4.45Å; L279-I412 HydrophobicContact CD2-CD1 3.88Å; L279-I412 HydrophobicContact CD2-CG1 4.32Å; F333-I412 HydrophobicContact CD1-CD1 3.49Å; F333-I412 VanDerWaalsContact CD1-CD1 3.49Å; F333-I412 HydrophobicContact CE1-CD1 3.46Å; F333-I412 VanDerWaalsContact CE1-CD1 3.46Å; F333-I412 HydrophobicContact CG-CD1 4.28Å; F333-I412 HydrophobicContact CZ-CD1 4.22Å; V408-I412 HydrophobicContact CG1-CD1 4.01Å; V408-I412 HydrophobicContact CG1-CG1 4.34Å; V408-I412 WeakPolarHBondContact O-CG1 3.41Å; V408-I412 PolarHBondContact O-N 3Å; L409-I412 PolarHBondContact O-N 2.98Å; I412-K416 VanDerWaalsContact O-CA 3.3Å; I412-K416 WeakPolarHBondContact O-CA 3.44Å; I412-K416 PolarHBondContact O-N 3.03Å; I412-L417 HydrophobicContact CG1-CD1 4.44Å; I412-L417 HydrophobicContact CG2-CB 4.42Å; I412-L417 PolarHBondContact O-N 3.31Å
413	K	92.9	Very high	93.3	Very high	145 Å²	145	43.3 Å²	43.3	63%	0.63	23%	0.227	S	C	*	.	H	α-helix	trans	-67	-46.4	-177.1	-73.6	178	178.1	176.1	0	112.2	L409 E410 H411 R415 K416	L409-K413 HydrophobicContact CD1-CD 4.44Å; L409-K413 HydrophobicContact CD1-CG 4.38Å; L409-K413 HydrophobicContact CG-CD 4.28Å; L409-K413 WeakPolarHBondContact O-CG 3.25Å; L409-K413 PolarHBondContact O-N 3.01Å; E410-K413 PolarHBondContact O-N 2.97Å; H411-K413 PolarHBondContact O-N 2.89Å; K413-R415 VanDerWaalsContact C-N 3.26Å; K413-R415 PolarHBondContact O-N 3.01Å; K413-K416 PolarHBondContact O-N 2.87Å
414	A	94.1	Very high	93.3	Very high	80 Å²	80	40.5 Å²	40.5	66%	0.661	21%	0.212	S	C	*	.	H	α-helix	trans	-64.1	-33.1	-176.9	0	0	0	0	0	112.5	E410	E410-A414 WeakPolarHBondContact O-CB 3.38Å; E410-A414 PolarHBondContact O-N 2.72Å
415	R	94.6	Very high	93	Very high	30 Å²	30	42.7 Å²	42.7	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-103.5	-2.8	-176.8	-63.2	162.5	63.2	-176.9	-0.3	113.5	H411 K413 L417 G447 T448 D451	H411-R415 WeakPolarHBondContact O-CB 3.41Å; H411-R415 PolarHBondContact O-N 2.78Å; H411-R415 VanDerWaalsContact O-N 3.1Å; K413-R415 VanDerWaalsContact C-N 3.26Å; K413-R415 PolarHBondContact O-N 3.01Å; R415-L417 VanDerWaalsContact C-N 3.29Å; R415-L417 HydrophobicContact CB-CD2 3.48Å; R415-L417 VanDerWaalsContact CB-CD2 3.48Å; R415-L417 HydrophobicContact CB-CG 3.81Å; R415-L417 HydrophobicContact CG-CD2 4.5Å; R415-L417 PolarHBondContact O-N 3.5Å; R415-G447 WeakPolarHBondContact O-CA 3.5Å; R415-G447 PolarHBondContact O-N 3.44Å; R415-T448 HydrophobicContact CG-CG2 4.09Å; R415-D451 IonicContact CZ-OD1 3.7Å; R415-D451 IonicContact CZ-OD2 3.5Å; R415-D451 IonicContact NE-OD1 3.53Å; R415-D451 IonicContact NE-OD2 3.57Å; R415-D451 PolarHBondContact NE-OD2 2.97Å; R415-D451 IonicContact NH2-OD1 3.9Å; R415-D451 PolarHBondContact NH2-OD1 2.88Å; R415-D451 IonicContact NH2-OD2 2.75Å; R415-D451 PolarHBondContact NH2-OD2 3.32Å
416	K	94.5	Very high	92.8	Very high	67 Å²	67	44 Å²	44	29%	0.291	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	44.7	-172.7	-57.8	179.9	-177	156.8	0	112.4	I412 K413 D418 V419 Y420 D443 D445 A446	I412-K416 VanDerWaalsContact O-CA 3.3Å; I412-K416 WeakPolarHBondContact O-CA 3.44Å; I412-K416 PolarHBondContact O-N 3.03Å; K413-K416 PolarHBondContact O-N 2.87Å; K416-D418 WeakPolarHBondContact CA-OD1 3.25Å; K416-D418 PolarHBondContact O-N 3.42Å; K416-V419 HydrophobicContact CB-CG2 4.25Å; K416-V419 WeakPolarHBondContact O-CB 3.44Å; K416-V419 PolarHBondContact O-N 2.95Å; K416-Y420 WeakPolarHBondContact O-CD2 3.28Å; K416-Y420 PolarHBondContact O-N 3.32Å; K416-D443 IonicContact NZ-OD2 3.46Å; K416-D443 PolarHBondContact NZ-OD2 3.46Å; K416-D445 WeakPolarHBondContact CD-O 3.42Å; K416-D445 WeakPolarHBondContact CE-O 3.4Å; K416-D445 PolarHBondContact NZ-O 2.89Å; K416-A446 HydrophobicContact CD-CB 3.95Å
417	L	94.4	Very high	92.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-24.9	-172.9	-61.5	-173.9	0	0	0	113.5	W274 V283 I412 R415 V419 Y420 F421	W274-L417 HydrophobicContact CZ3-CB 4.47Å; V283-L417 HydrophobicContact CG1-CD1 3.79Å; I412-L417 HydrophobicContact CG1-CD1 4.44Å; I412-L417 HydrophobicContact CG2-CB 4.42Å; I412-L417 PolarHBondContact O-N 3.31Å; R415-L417 VanDerWaalsContact C-N 3.29Å; R415-L417 HydrophobicContact CB-CD2 3.48Å; R415-L417 VanDerWaalsContact CB-CD2 3.48Å; R415-L417 HydrophobicContact CB-CG 3.81Å; R415-L417 HydrophobicContact CG-CD2 4.5Å; R415-L417 PolarHBondContact O-N 3.5Å; L417-V419 VanDerWaalsContact C-N 3.28Å; L417-V419 PolarHBondContact O-N 3.34Å; L417-Y420 PolarHBondContact O-N 2.87Å; L417-F421 VanDerWaalsContact O-CB 3.29Å; L417-F421 WeakPolarHBondContact O-CB 3.31Å; L417-F421 PolarHBondContact O-N 2.96Å
418	D	90.3	Very high	92.3	Very high	41 Å²	41	43.4 Å²	43.4	22%	0.219	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-41.6	170.9	54	-46.9	0	0	0	112.1	W274 K416 E422 L537	W274-D418 HydrophobicContact CH2-CB 3.74Å; W274-D418 HydrophobicContact CZ2-CB 4.28Å; K416-D418 WeakPolarHBondContact CA-OD1 3.25Å; K416-D418 PolarHBondContact O-N 3.42Å; D418-E422 PolarHBondContact O-N 3.49Å; D418-E422 VanDerWaalsContact O-N 3.14Å; D418-L537 HydrophobicContact CB-CD1 4.05Å
419	V	92.4	Very high	91.9	Very high	40 Å²	40	44.8 Å²	44.8	24%	0.242	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-45.9	178.2	-177.3	0	0	0	0	110.5	K416 L417 F421 E422 Y423 I440	K416-V419 HydrophobicContact CB-CG2 4.25Å; K416-V419 WeakPolarHBondContact O-CB 3.44Å; K416-V419 PolarHBondContact O-N 2.95Å; L417-V419 VanDerWaalsContact C-N 3.28Å; L417-V419 PolarHBondContact O-N 3.34Å; V419-F421 PolarHBondContact O-N 3.04Å; V419-E422 PolarHBondContact O-N 3.27Å; V419-Y423 HydrophobicContact CG1-CD2 3.99Å; V419-Y423 HydrophobicContact CG1-CE2 3.75Å; V419-Y423 VanDerWaalsContact O-CD2 3.28Å; V419-Y423 WeakPolarHBondContact O-CD2 3.39Å; V419-Y423 PolarHBondContact O-N 3.29Å; V419-Y423 VanDerWaalsContact O-N 3.14Å; V419-I440 HydrophobicContact CG1-CD1 3.85Å
420	Y	94.9	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-49.1	177.6	-80.5	-88.3	0	0	0	111.6	K416 L417 E422 Y423 E424 I440 A446 D451 K452 L455	K416-Y420 WeakPolarHBondContact O-CD2 3.28Å; K416-Y420 PolarHBondContact O-N 3.32Å; L417-Y420 PolarHBondContact O-N 2.87Å; Y420-E422 VanDerWaalsContact C-N 3.31Å; Y420-E422 PolarHBondContact O-N 3.48Å; Y420-Y423 PolarHBondContact O-N 2.6Å; Y420-E424 WeakPolarHBondContact O-CB 3.4Å; Y420-E424 VanDerWaalsContact O-CG 3.23Å; Y420-E424 WeakPolarHBondContact O-CG 3.3Å; Y420-E424 PolarHBondContact O-N 2.95Å; Y420-I440 HydrophobicContact CE1-CG1 4.38Å; Y420-I440 HydrophobicContact CE2-CD1 4.46Å; Y420-A446 HydrophobicContact CE2-CB 4.38Å; Y420-A446 PolarHBondContact OH-O 2.89Å; Y420-D451 HydrophobicContact CD1-CB 4.14Å; Y420-D451 HydrophobicContact CE1-CB 3.8Å; Y420-D451 WeakPolarHBondContact CE1-O 3.41Å; Y420-D451 HydrophobicContact CE2-CB 4.2Å; Y420-D451 HydrophobicContact CG-CB 4.49Å; Y420-K452 HydrophobicContact CE1-CG 4.47Å; Y420-K452 WeakPolarHBondContact OH-CG 3.32Å; Y420-L455 HydrophobicContact CD1-CB 3.95Å; Y420-L455 HydrophobicContact CD1-CD2 3.84Å; Y420-L455 HydrophobicContact CD1-CG 4.42Å; Y420-L455 HydrophobicContact CE1-CB 4.1Å; Y420-L455 HydrophobicContact CE1-CD2 3.78Å
421	F	93	Very high	91	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-54.6	-45	176.2	176.7	-98.5	0	0	0	112.3	H271 H272 W274 L417 V419 Y423 E424 E425 L537 L539	H271-F421 AromaticContact CE1-CD2 3.91Å; H271-F421 AromaticContact CE1-CE2 3.65Å; H272-F421 HydrophobicContact CB-CB 4.38Å; H272-F421 VanDerWaalsContact O-CD2 3.27Å; H272-F421 WeakPolarHBondContact O-CD2 3.4Å; W274-F421 HydrophobicContact CB-CD2 4.4Å; W274-F421 HydrophobicContact CB-CE1 4.46Å; W274-F421 HydrophobicContact CB-CE2 4Å; W274-F421 HydrophobicContact CB-CZ 4.05Å; W274-F421 HydrophobicContact CE3-CB 4.4Å; W274-F421 HydrophobicContact CE3-CG 4.25Å; L417-F421 VanDerWaalsContact O-CB 3.29Å; L417-F421 WeakPolarHBondContact O-CB 3.31Å; L417-F421 PolarHBondContact O-N 2.96Å; V419-F421 PolarHBondContact O-N 3.04Å; F421-Y423 PolarHBondContact O-N 3.48Å; F421-E424 PolarHBondContact O-N 2.77Å; F421-E425 HydrophobicContact CD1-CG 4.37Å; F421-E425 HydrophobicContact CD2-CG 4.4Å; F421-E425 HydrophobicContact CE1-CG 3.84Å; F421-E425 HydrophobicContact CE2-CG 3.89Å; F421-E425 HydrophobicContact CZ-CG 3.55Å; F421-E425 WeakPolarHBondContact O-CB 3.32Å; F421-E425 WeakPolarHBondContact O-CG 3.23Å; F421-E425 PolarHBondContact O-N 2.81Å; F421-L537 HydrophobicContact CD1-CB 4.39Å; F421-L537 HydrophobicContact CD1-CD1 3.96Å; F421-L537 HydrophobicContact CD1-CD2 4.03Å; F421-L537 HydrophobicContact CD1-CG 4.34Å; F421-L537 HydrophobicContact CE1-CB 4.14Å; F421-L537 HydrophobicContact CE1-CD2 4.29Å; F421-L539 HydrophobicContact CE2-CD2 3.98Å; F421-L539 HydrophobicContact CZ-CD2 3.51Å; F421-L539 HydrophobicContact CZ-CG 4.4Å
422	E	90.8	Very high	90.4	Very high	79 Å²	79	49.5 Å²	49.5	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-42.8	179	-169.6	-171.9	170.8	0	0	112.9	D418 V419 Y420 K426 L537	D418-E422 PolarHBondContact O-N 3.49Å; D418-E422 VanDerWaalsContact O-N 3.14Å; V419-E422 PolarHBondContact O-N 3.27Å; Y420-E422 VanDerWaalsContact C-N 3.31Å; Y420-E422 PolarHBondContact O-N 3.48Å; E422-K426 WeakPolarHBondContact O-CG 3.45Å; E422-K426 PolarHBondContact O-N 3.09Å; E422-K426 WeakPolarHBondContact OE1-CE 3.43Å; E422-K426 IonicContact OE1-NZ 3.91Å; E422-K426 PolarHBondContact OE1-NZ 3.11Å; E422-L537 HydrophobicContact CB-CD2 4.15Å; E422-L537 HydrophobicContact CG-CD2 4.36Å
423	Y	92	Very high	89.8	Confident	24 Å²	24	51.7 Å²	51.7	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-45.5	177.2	-87.4	-109.3	0	0	0	111.2	V419 Y420 F421 K426 I427 L433 K435 L437 I440	V419-Y423 HydrophobicContact CG1-CD2 3.99Å; V419-Y423 HydrophobicContact CG1-CE2 3.75Å; V419-Y423 VanDerWaalsContact O-CD2 3.28Å; V419-Y423 WeakPolarHBondContact O-CD2 3.39Å; V419-Y423 PolarHBondContact O-N 3.29Å; V419-Y423 VanDerWaalsContact O-N 3.14Å; Y420-Y423 PolarHBondContact O-N 2.6Å; F421-Y423 PolarHBondContact O-N 3.48Å; Y423-K426 PolarHBondContact O-N 2.88Å; Y423-I427 WeakPolarHBondContact O-CB 3.2Å; Y423-I427 WeakPolarHBondContact O-CD1 3.33Å; Y423-I427 VanDerWaalsContact O-CG1 3.23Å; Y423-I427 WeakPolarHBondContact O-CG1 3.35Å; Y423-I427 PolarHBondContact O-N 2.81Å; Y423-L433 HydrophobicContact CD1-CD1 4.18Å; Y423-L433 HydrophobicContact CD1-CD2 3.73Å; Y423-L433 HydrophobicContact CE1-CD2 4.39Å; Y423-L433 HydrophobicContact CG-CD2 4.28Å; Y423-K435 VanDerWaalsContact OH-CB 3.3Å; Y423-K435 WeakPolarHBondContact OH-CB 3.46Å; Y423-L437 HydrophobicContact CD1-CD1 4.29Å; Y423-I440 HydrophobicContact CD1-CG2 4.28Å; Y423-I440 HydrophobicContact CE1-CG2 4Å
424	E	92.7	Very high	89.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-44.2	-177.9	-68.5	170.3	-176.9	0	0	111.6	H271 H272 Y420 F421 K426 I427 M428 L455 I458	H271-E424 IonicContact CD2-OE2 3.61Å; H271-E424 PolarHBondContact CD2-OE2 3.41Å; H271-E424 IonicContact CG-OE2 3.74Å; H271-E424 IonicContact NE2-OE2 3.38Å; H272-E424 WeakPolarHBondContact CB-OE2 3.43Å; H272-E424 IonicContact CE1-OE1 3.59Å; H272-E424 PolarHBondContact CE1-OE1 2.96Å; H272-E424 IonicContact CG-OE1 3.04Å; H272-E424 IonicContact CG-OE2 2.71Å; H272-E424 PolarHBondContact N-OE2 2.78Å; H272-E424 VanDerWaalsContact ND1-CD 3.33Å; H272-E424 IonicContact ND1-OE1 2.97Å; H272-E424 PolarHBondContact ND1-OE1 3.34Å; H272-E424 IonicContact ND1-OE2 3.96Å; H272-E424 PolarHBondContact ND1-OE2 2.94Å; Y420-E424 WeakPolarHBondContact O-CB 3.4Å; Y420-E424 VanDerWaalsContact O-CG 3.23Å; Y420-E424 WeakPolarHBondContact O-CG 3.3Å; Y420-E424 PolarHBondContact O-N 2.95Å; F421-E424 PolarHBondContact O-N 2.77Å; E424-K426 PolarHBondContact O-N 2.82Å; E424-I427 WeakPolarHBondContact O-CB 3.33Å; E424-I427 PolarHBondContact O-N 2.8Å; E424-I427 VanDerWaalsContact O-N 3.16Å; E424-M428 WeakPolarHBondContact O-CB 3.4Å; E424-M428 WeakPolarHBondContact O-CG 3.35Å; E424-M428 PolarHBondContact O-N 3.15Å; E424-L455 HydrophobicContact CG-CD1 3.66Å; E424-I458 HydrophobicContact CB-CD1 4.3Å; E424-I458 VanDerWaalsContact CD-CD1 3.43Å; E424-I458 HydrophobicContact CG-CD1 3.66Å
425	E	88.7	Confident	88.5	Confident	45 Å²	45	53.6 Å²	53.6	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-46.8	173.8	-82.6	-71.4	126.2	0	0	111.5	H271 F421 I427 M428 S429	H271-E425 IonicContact CE1-OE1 2.73Å; H271-E425 PolarHBondContact CE1-OE1 2.89Å; H271-E425 VanDerWaalsContact CE1-OE1 3.25Å; H271-E425 IonicContact NE2-OE1 2.77Å; F421-E425 HydrophobicContact CD1-CG 4.37Å; F421-E425 HydrophobicContact CD2-CG 4.4Å; F421-E425 HydrophobicContact CE1-CG 3.84Å; F421-E425 HydrophobicContact CE2-CG 3.89Å; F421-E425 HydrophobicContact CZ-CG 3.55Å; F421-E425 WeakPolarHBondContact O-CB 3.32Å; F421-E425 WeakPolarHBondContact O-CG 3.23Å; F421-E425 PolarHBondContact O-N 2.81Å; E425-I427 VanDerWaalsContact C-N 3.33Å; E425-I427 PolarHBondContact O-N 3.41Å; E425-M428 PolarHBondContact O-N 3.06Å; E425-S429 VanDerWaalsContact O-CB 3.27Å; E425-S429 WeakPolarHBondContact O-CB 3.23Å; E425-S429 PolarHBondContact O-N 2.88Å; E425-S429 PolarHBondContact O-OG 3.05Å
426	K	89.3	Confident	88.2	Confident	38 Å²	38	54.7 Å²	54.7	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-42.8	176.9	-74.3	175.1	-173.1	168.4	0	111.4	E422 Y423 E424 K430 T431 L433 D434	E422-K426 WeakPolarHBondContact O-CG 3.45Å; E422-K426 PolarHBondContact O-N 3.09Å; E422-K426 WeakPolarHBondContact OE1-CE 3.43Å; E422-K426 IonicContact OE1-NZ 3.91Å; E422-K426 PolarHBondContact OE1-NZ 3.11Å; Y423-K426 PolarHBondContact O-N 2.88Å; E424-K426 PolarHBondContact O-N 2.82Å; K426-K430 PolarHBondContact O-N 2.9Å; K426-K430 VanDerWaalsContact O-N 3.15Å; K426-T431 PolarHBondContact O-N 3.07Å; K426-L433 HydrophobicContact CB-CD2 3.86Å; K426-L433 HydrophobicContact CD-CD2 4.32Å; K426-D434 IonicContact NZ-OD2 2.75Å; K426-D434 PolarHBondContact NZ-OD2 3.34Å
427	I	89.9	Confident	88	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.082	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-51.2	178	-72.2	160.3	0	0	0	110.8	Y423 E424 E425 S429 K430 L433 L437 L455 I458	Y423-I427 WeakPolarHBondContact O-CB 3.2Å; Y423-I427 WeakPolarHBondContact O-CD1 3.33Å; Y423-I427 VanDerWaalsContact O-CG1 3.23Å; Y423-I427 WeakPolarHBondContact O-CG1 3.35Å; Y423-I427 PolarHBondContact O-N 2.81Å; E424-I427 WeakPolarHBondContact O-CB 3.33Å; E424-I427 PolarHBondContact O-N 2.8Å; E424-I427 VanDerWaalsContact O-N 3.16Å; E425-I427 VanDerWaalsContact C-N 3.33Å; E425-I427 PolarHBondContact O-N 3.41Å; I427-S429 VanDerWaalsContact C-N 3.33Å; I427-S429 PolarHBondContact O-N 3.14Å; I427-K430 PolarHBondContact O-N 3.06Å; I427-L433 HydrophobicContact CD1-CD1 4.35Å; I427-L433 HydrophobicContact CG1-CD1 4.18Å; I427-L433 HydrophobicContact CG1-CD2 4.09Å; I427-L433 HydrophobicContact CG1-CG 4.4Å; I427-L437 HydrophobicContact CD1-CD1 4.14Å; I427-L455 HydrophobicContact CD1-CD1 3.81Å; I427-I458 HydrophobicContact CG2-CG2 4.03Å
428	M	86.5	Confident	87.9	Confident	50 Å²	50	52.9 Å²	52.9	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-34.9	-177.3	-70.1	-178.3	65.4	0	0	111.7	A267 H271 E424 E425 K430 I458	A267-M428 HydrophobicContact CB-CE 4.46Å; H271-M428 HydrophobicContact CB-SD 4.36Å; H271-M428 PolarHBondContact CD2-SD 2.78Å; E424-M428 WeakPolarHBondContact O-CB 3.4Å; E424-M428 WeakPolarHBondContact O-CG 3.35Å; E424-M428 PolarHBondContact O-N 3.15Å; E425-M428 PolarHBondContact O-N 3.06Å; M428-K430 PolarHBondContact O-N 3.14Å; M428-I458 HydrophobicContact CG-CG2 3.78Å; M428-I458 HydrophobicContact SD-CG2 4.12Å
429	S	85.3	Confident	88	Confident	30 Å²	30	55.3 Å²	55.3	21%	0.21	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	8	173.3	79.2	0	0	0	0	114.2	E425 I427 T431	E425-S429 VanDerWaalsContact O-CB 3.27Å; E425-S429 WeakPolarHBondContact O-CB 3.23Å; E425-S429 PolarHBondContact O-N 2.88Å; E425-S429 PolarHBondContact O-OG 3.05Å; I427-S429 VanDerWaalsContact C-N 3.33Å; I427-S429 PolarHBondContact O-N 3.14Å; S429-T431 PolarHBondContact O-N 3.21Å; S429-T431 VanDerWaalsContact O-N 3.17Å; S429-T431 PolarHBondContact O-OG1 3.37Å; S429-T431 PolarHBondContact OG-OG1 2.73Å
430	K	84.7	Confident	88	Confident	161 Å²	161	53.9 Å²	53.9	70%	0.7	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	33.1	179.4	-56.5	176.6	-178.5	171.7	0	113.6	K426 I427 M428	K426-K430 PolarHBondContact O-N 2.9Å; K426-K430 VanDerWaalsContact O-N 3.15Å; I427-K430 PolarHBondContact O-N 3.06Å; M428-K430 PolarHBondContact O-N 3.14Å
431	T	83.8	Confident	88	Confident	66 Å²	66	53.9 Å²	53.9	41%	0.405	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-90.9	149.2	175.2	-57.1	0	0	0	0	109.4	K426 S429	K426-T431 PolarHBondContact O-N 3.07Å; S429-T431 PolarHBondContact O-N 3.21Å; S429-T431 VanDerWaalsContact O-N 3.17Å; S429-T431 PolarHBondContact O-OG1 3.37Å; S429-T431 PolarHBondContact OG-OG1 2.73Å
432	T	80.4	Confident	88.1	Confident	117 Å²	117	56.9 Å²	56.9	72%	0.718	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-65.5	137.2	177.5	48.3	0	0	0	0	110.6
433	L	81.3	Confident	88.3	Confident	50 Å²	50	55.5 Å²	55.5	26%	0.262	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.6	138.8	171.9	-66.4	176.1	0	0	0	110.1	Y423 K426 I427 K435 L437	Y423-L433 HydrophobicContact CD1-CD1 4.18Å; Y423-L433 HydrophobicContact CD1-CD2 3.73Å; Y423-L433 HydrophobicContact CE1-CD2 4.39Å; Y423-L433 HydrophobicContact CG-CD2 4.28Å; K426-L433 HydrophobicContact CB-CD2 3.86Å; K426-L433 HydrophobicContact CD-CD2 4.32Å; I427-L433 HydrophobicContact CD1-CD1 4.35Å; I427-L433 HydrophobicContact CG1-CD1 4.18Å; I427-L433 HydrophobicContact CG1-CD2 4.09Å; I427-L433 HydrophobicContact CG1-CG 4.4Å; L433-K435 WeakPolarHBondContact CB-O 3.25Å; L433-L437 HydrophobicContact CD1-CB 4.44Å; L433-L437 HydrophobicContact CD1-CD1 4.43Å
434	D	76.9	Confident	88.3	Confident	127 Å²	127	59.6 Å²	59.6	68%	0.679	32%	0.324	S	S	*	.	S	Bend	trans	-77.1	-26	178.5	-59.5	-47.8	0	0	0	112.5	K426	K426-D434 IonicContact NZ-OD2 2.75Å; K426-D434 PolarHBondContact NZ-OD2 3.34Å
435	K	82.1	Confident	88.2	Confident	138 Å²	138	65.3 Å²	65.3	60%	0.6	36%	0.355	S	S	*	.	S	Bend	trans	-132	160.2	179	-66.6	-177.2	-175.6	179.1	0	110	Y423 L433	Y423-K435 VanDerWaalsContact OH-CB 3.3Å; Y423-K435 WeakPolarHBondContact OH-CB 3.46Å; L433-K435 WeakPolarHBondContact CB-O 3.25Å
436	S	88.1	Confident	88.3	Confident	52 Å²	52	63.1 Å²	63.1	36%	0.364	35%	0.345	S	S	.	.			trans	-67	140	-179.2	-177	0	0	0	0	110.6	L438 D439	S436-L438 PolarHBondContact O-N 3.04Å; S436-L438 PolarHBondContact OG-N 3.19Å; S436-D439 WeakPolarHBondContact CB-OD2 3.43Å; S436-D439 PolarHBondContact N-OD2 3.44Å; S436-D439 WeakPolarHBondContact O-CB 3.45Å; S436-D439 PolarHBondContact O-N 3.11Å; S436-D439 VanDerWaalsContact O-N 3.09Å
437	L	90.2	Very high	88.6	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-29.3	171.2	-168	71.1	0	0	0	111.7	Y423 I427 L433 D439 I440 I441 L455 F456 Y459 Y475	Y423-L437 HydrophobicContact CD1-CD1 4.29Å; I427-L437 HydrophobicContact CD1-CD1 4.14Å; L433-L437 HydrophobicContact CD1-CB 4.44Å; L433-L437 HydrophobicContact CD1-CD1 4.43Å; L437-D439 VanDerWaalsContact C-N 3.26Å; L437-D439 PolarHBondContact O-N 3.24Å; L437-I440 HydrophobicContact CD1-CG2 4.29Å; L437-I440 WeakPolarHBondContact O-CG2 3.29Å; L437-I441 HydrophobicContact CD2-CD1 4.31Å; L437-I441 HydrophobicContact CG-CD1 4Å; L437-I441 WeakPolarHBondContact O-CG1 3.39Å; L437-I441 PolarHBondContact O-N 2.84Å; L437-L455 HydrophobicContact CD1-CD1 3.81Å; L437-L455 HydrophobicContact CD1-CD2 3.76Å; L437-L455 HydrophobicContact CD1-CG 3.67Å; L437-F456 HydrophobicContact CD2-CD2 3.96Å; L437-Y459 HydrophobicContact CD2-CD1 3.56Å; L437-Y459 HydrophobicContact CD2-CD2 3.95Å; L437-Y459 HydrophobicContact CD2-CE1 4.17Å; L437-Y459 HydrophobicContact CD2-CG 3.43Å; L437-Y459 VanDerWaalsContact CD2-CG 3.43Å; L437-Y475 HydrophobicContact CB-CE1 4.02Å; L437-Y475 HydrophobicContact CD2-CE1 4.04Å; L437-Y475 HydrophobicContact CG-CE1 4.28Å
438	L	92.8	Very high	88.9	Confident	29 Å²	29	63.6 Å²	63.6	15%	0.152	36%	0.355	C	S	.	.	H	α-helix	trans	-65.7	-32.1	178.4	-160.8	80.8	0	0	0	112	S436 I441 S442 Q474 Y475 A478	S436-L438 PolarHBondContact O-N 3.04Å; S436-L438 PolarHBondContact OG-N 3.19Å; L438-I441 PolarHBondContact O-N 3.31Å; L438-S442 VanDerWaalsContact O-CB 3.26Å; L438-S442 WeakPolarHBondContact O-CB 3.37Å; L438-S442 PolarHBondContact O-N 2.79Å; L438-S442 PolarHBondContact O-OG 3.17Å; L438-Q474 HydrophobicContact CD1-CG 3.99Å; L438-Q474 HydrophobicContact CD2-CG 4.08Å; L438-Y475 HydrophobicContact CB-CE1 4.15Å; L438-Y475 HydrophobicContact CD1-CD1 3.68Å; L438-Y475 HydrophobicContact CD1-CE1 3.87Å; L438-Y475 HydrophobicContact CD1-CG 4.43Å; L438-A478 HydrophobicContact CD1-CB 3.9Å
439	D	92	Very high	89.4	Confident	92 Å²	92	64.1 Å²	64.1	49%	0.492	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-45.1	-177.1	-58.9	-23.5	0	0	0	110.3	S436 L437 S442 D443	S436-D439 WeakPolarHBondContact CB-OD2 3.43Å; S436-D439 PolarHBondContact N-OD2 3.44Å; S436-D439 WeakPolarHBondContact O-CB 3.45Å; S436-D439 PolarHBondContact O-N 3.11Å; S436-D439 VanDerWaalsContact O-N 3.09Å; L437-D439 VanDerWaalsContact C-N 3.26Å; L437-D439 PolarHBondContact O-N 3.24Å; D439-S442 PolarHBondContact O-N 3.43Å; D439-D443 PolarHBondContact O-N 2.96Å
440	I	93.6	Very high	89.9	Confident	10 Å²	10	65 Å²	65	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-72	-36.2	179.1	-172.6	66.6	0	0	0	112.3	V419 Y420 Y423 L437 S442 D443 A446 L455	V419-I440 HydrophobicContact CG1-CD1 3.85Å; Y420-I440 HydrophobicContact CE1-CG1 4.38Å; Y420-I440 HydrophobicContact CE2-CD1 4.46Å; Y423-I440 HydrophobicContact CD1-CG2 4.28Å; Y423-I440 HydrophobicContact CE1-CG2 4Å; L437-I440 HydrophobicContact CD1-CG2 4.29Å; L437-I440 WeakPolarHBondContact O-CG2 3.29Å; I440-S442 VanDerWaalsContact C-N 3.3Å; I440-S442 PolarHBondContact O-N 3.05Å; I440-D443 PolarHBondContact O-N 3.18Å; I440-A446 HydrophobicContact CD1-CB 3.65Å; I440-L455 HydrophobicContact CG1-CD2 4.22Å; I440-L455 HydrophobicContact CG2-CD2 3.52Å
441	I	94.8	Very high	90.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-37.4	174.4	-68.3	169.1	0	0	0	110.8	L437 L438 K452 F456 Y475 A478 L479	L437-I441 HydrophobicContact CD2-CD1 4.31Å; L437-I441 HydrophobicContact CG-CD1 4Å; L437-I441 WeakPolarHBondContact O-CG1 3.39Å; L437-I441 PolarHBondContact O-N 2.84Å; L438-I441 PolarHBondContact O-N 3.31Å; I441-K452 VanDerWaalsContact O-CD 3.26Å; I441-K452 WeakPolarHBondContact O-CD 3.29Å; I441-K452 WeakPolarHBondContact O-CE 3.47Å; I441-K452 PolarHBondContact O-NZ 2.97Å; I441-F456 HydrophobicContact CD1-CB 4.2Å; I441-F456 HydrophobicContact CD1-CD2 4.06Å; I441-F456 HydrophobicContact CD1-CG 4.49Å; I441-Y475 HydrophobicContact CD1-CD1 3.95Å; I441-Y475 HydrophobicContact CD1-CE1 4.34Å; I441-A478 HydrophobicContact CG2-CB 3.86Å; I441-L479 HydrophobicContact CD1-CD2 4.39Å; I441-L479 HydrophobicContact CG2-CD2 3.85Å; I441-L479 HydrophobicContact CG2-CG 4.12Å
442	S	94.7	Very high	91.2	Very high	68 Å²	68	54.8 Å²	54.8	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-85	-13.4	-176.3	-51	0	0	0	0	113.6	L438 D439 I440 P444	L438-S442 VanDerWaalsContact O-CB 3.26Å; L438-S442 WeakPolarHBondContact O-CB 3.37Å; L438-S442 PolarHBondContact O-N 2.79Å; L438-S442 PolarHBondContact O-OG 3.17Å; D439-S442 PolarHBondContact O-N 3.43Å; I440-S442 VanDerWaalsContact C-N 3.3Å; I440-S442 PolarHBondContact O-N 3.05Å; S442-P444 WeakPolarHBondContact O-CD 3.24Å
443	D	94	Very high	92	Very high	49 Å²	49	49.4 Å²	49.4	26%	0.262	28%	0.28	S	S	.	.			trans	-67.7	114.7	178.5	-178	-5.9	0	0	0	110.3	K416 D439 I440 D445 A446 K452	K416-D443 IonicContact NZ-OD2 3.46Å; K416-D443 PolarHBondContact NZ-OD2 3.46Å; D439-D443 PolarHBondContact O-N 2.96Å; I440-D443 PolarHBondContact O-N 3.18Å; D443-D445 PolarHBondContact O-N 3.46Å; D443-D445 WeakPolarHBondContact OD1-CA 3.26Å; D443-D445 WeakPolarHBondContact OD1-CB 3.47Å; D443-D445 PolarHBondContact OD1-N 2.93Å; D443-A446 HydrophobicContact CB-CB 3.86Å; D443-A446 PolarHBondContact O-N 2.84Å; D443-A446 WeakPolarHBondContact OD2-CB 3.28Å; D443-K452 WeakPolarHBondContact O-CE 3.5Å; D443-K452 PolarHBondContact O-NZ 3.16Å
444	P	91.7	Very high	92.8	Very high	110 Å²	110	47 Å²	47	71%	0.714	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.4	179.9	30.3	-35.6	0	0	0	113	S442	S442-P444 WeakPolarHBondContact O-CD 3.24Å
445	D	91	Very high	93.7	Very high	120 Å²	120	41 Å²	41	64%	0.642	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	5	-177.7	-60.5	-41.4	0	0	0	112.3	K416 D443	K416-D445 WeakPolarHBondContact CD-O 3.42Å; K416-D445 WeakPolarHBondContact CE-O 3.4Å; K416-D445 PolarHBondContact NZ-O 2.89Å; D443-D445 PolarHBondContact O-N 3.46Å; D443-D445 WeakPolarHBondContact OD1-CA 3.26Å; D443-D445 WeakPolarHBondContact OD1-CB 3.47Å; D443-D445 PolarHBondContact OD1-N 2.93Å
446	A	92.3	Very high	94.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-120.2	111.8	-178.6	0	0	0	0	0	112.5	K416 Y420 I440 D443 K452	K416-A446 HydrophobicContact CD-CB 3.95Å; Y420-A446 HydrophobicContact CE2-CB 4.38Å; Y420-A446 PolarHBondContact OH-O 2.89Å; I440-A446 HydrophobicContact CD1-CB 3.65Å; D443-A446 HydrophobicContact CB-CB 3.86Å; D443-A446 PolarHBondContact O-N 2.84Å; D443-A446 WeakPolarHBondContact OD2-CB 3.28Å; A446-K452 WeakPolarHBondContact O-CE 3.42Å
447	G	94.1	Very high	94.9	Very high	18 Å²	18	32 Å²	32	19%	0.186	19%	0.189	C	C	.	.	S	Bend	trans	69.8	169.3	172.8	0	0	0	0	0	114.5	R415	R415-G447 WeakPolarHBondContact O-CA 3.5Å; R415-G447 PolarHBondContact O-N 3.44Å
448	T	96.6	Very high	95.1	Very high	46 Å²	46	31.8 Å²	31.8	28%	0.282	19%	0.188	S	C	.	.			trans	-83.6	167.9	171.9	64.5	0	0	0	0	110.8	R415 E450 D451 K452	R415-T448 HydrophobicContact CG-CG2 4.09Å; T448-E450 PolarHBondContact O-N 3.13Å; T448-E450 PolarHBondContact OG1-N 3.14Å; T448-D451 WeakPolarHBondContact CB-OD2 3.32Å; T448-D451 PolarHBondContact N-OD2 3.1Å; T448-D451 PolarHBondContact O-N 3.44Å; T448-D451 VanDerWaalsContact O-N 3.09Å; T448-D451 PolarHBondContact OG1-N 3.44Å; T448-D451 PolarHBondContact OG1-OD2 3.37Å; T448-K452 WeakPolarHBondContact O-CG 3.45Å; T448-K452 PolarHBondContact O-N 2.85Å; T448-K452 VanDerWaalsContact O-N 3.15Å
449	P	96.9	Very high	95.2	Very high	61 Å²	61	32.8 Å²	32.8	40%	0.396	19%	0.19	S	C	.	.	H	α-helix	trans	-54.4	-33.4	170	-24.2	33.6	0	0	0	112.2	M453 A482 C484	P449-M453 WeakPolarHBondContact O-CB 3.34Å; P449-M453 PolarHBondContact O-N 3Å; P449-A482 WeakPolarHBondContact CG-O 3.19Å; P449-C484 PolarHBondContact O-SG 3.09Å
450	E	96.3	Very high	95.4	Very high	48 Å²	48	29.1 Å²	29.1	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-45.2	176.2	-168.8	179.7	125.6	0	0	112.1	T448 K452 M453 R454 T629 I632	T448-E450 PolarHBondContact O-N 3.13Å; T448-E450 PolarHBondContact OG1-N 3.14Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 3.36Å; E450-M453 CarbonylContact O-C 3.54Å; E450-M453 WeakPolarHBondContact O-CB 3.44Å; E450-M453 PolarHBondContact O-N 3.24Å; E450-M453 VanDerWaalsContact O-N 3.1Å; E450-R454 HydrophobicContact CG-CG 4.46Å; E450-R454 VanDerWaalsContact O-CG 3.31Å; E450-R454 WeakPolarHBondContact O-CG 3.36Å; E450-R454 PolarHBondContact O-N 3.44Å; E450-T629 WeakPolarHBondContact OE1-CA 3.07Å; E450-T629 VanDerWaalsContact OE1-CB 3.23Å; E450-T629 WeakPolarHBondContact OE1-CB 3.18Å; E450-T629 PolarHBondContact OE1-N 3.37Å; E450-T629 PolarHBondContact OE1-OG1 3.48Å; E450-T629 WeakPolarHBondContact OE2-CG2 3.44Å; E450-I632 HydrophobicContact CG-CD1 3.8Å
451	D	97.7	Very high	95.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-42.3	178.6	-58.7	-36.8	0	0	0	111.6	H272 R415 Y420 T448 M453 R454 L455	H272-D451 IonicContact CE1-OD1 3.67Å; H272-D451 IonicContact NE2-OD1 3.23Å; H272-D451 PolarHBondContact NE2-OD1 3.4Å; R415-D451 IonicContact CZ-OD1 3.7Å; R415-D451 IonicContact CZ-OD2 3.5Å; R415-D451 IonicContact NE-OD1 3.53Å; R415-D451 IonicContact NE-OD2 3.57Å; R415-D451 PolarHBondContact NE-OD2 2.97Å; R415-D451 IonicContact NH2-OD1 3.9Å; R415-D451 PolarHBondContact NH2-OD1 2.88Å; R415-D451 IonicContact NH2-OD2 2.75Å; R415-D451 PolarHBondContact NH2-OD2 3.32Å; Y420-D451 HydrophobicContact CD1-CB 4.14Å; Y420-D451 HydrophobicContact CE1-CB 3.8Å; Y420-D451 WeakPolarHBondContact CE1-O 3.41Å; Y420-D451 HydrophobicContact CE2-CB 4.2Å; Y420-D451 HydrophobicContact CG-CB 4.49Å; T448-D451 WeakPolarHBondContact CB-OD2 3.32Å; T448-D451 PolarHBondContact N-OD2 3.1Å; T448-D451 PolarHBondContact O-N 3.44Å; T448-D451 VanDerWaalsContact O-N 3.09Å; T448-D451 PolarHBondContact OG1-N 3.44Å; T448-D451 PolarHBondContact OG1-OD2 3.37Å; D451-M453 PolarHBondContact O-N 3.43Å; D451-R454 PolarHBondContact O-N 2.88Å; D451-R454 IonicContact OD1-NH1 2.71Å; D451-L455 WeakPolarHBondContact O-CB 3.45Å; D451-L455 PolarHBondContact O-N 2.93Å
452	K	97.7	Very high	95.1	Very high	12 Å²	12	31.6 Å²	31.6	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175.4	-65.8	174.9	176.3	-163.5	0	112	Y420 I441 D443 A446 T448 E450 F456 L479 A482	Y420-K452 HydrophobicContact CE1-CG 4.47Å; Y420-K452 WeakPolarHBondContact OH-CG 3.32Å; I441-K452 VanDerWaalsContact O-CD 3.26Å; I441-K452 WeakPolarHBondContact O-CD 3.29Å; I441-K452 WeakPolarHBondContact O-CE 3.47Å; I441-K452 PolarHBondContact O-NZ 2.97Å; D443-K452 WeakPolarHBondContact O-CE 3.5Å; D443-K452 PolarHBondContact O-NZ 3.16Å; A446-K452 WeakPolarHBondContact O-CE 3.42Å; T448-K452 WeakPolarHBondContact O-CG 3.45Å; T448-K452 PolarHBondContact O-N 2.85Å; T448-K452 VanDerWaalsContact O-N 3.15Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 3.36Å; K452-F456 WeakPolarHBondContact O-CB 3.4Å; K452-F456 PolarHBondContact O-N 3.49Å; K452-F456 VanDerWaalsContact O-N 3.1Å; K452-L479 HydrophobicContact CB-CD2 4.2Å; K452-A482 HydrophobicContact CD-CB 3.72Å
453	M	97.8	Very high	94.6	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-46.6	175.3	-178.2	57.6	59.8	0	0	111.4	P449 E450 D451 L455 F456 L457 L479 C484 N485 L486 P488 L489 I632	P449-M453 WeakPolarHBondContact O-CB 3.34Å; P449-M453 PolarHBondContact O-N 3Å; E450-M453 CarbonylContact O-C 3.54Å; E450-M453 WeakPolarHBondContact O-CB 3.44Å; E450-M453 PolarHBondContact O-N 3.24Å; E450-M453 VanDerWaalsContact O-N 3.1Å; D451-M453 PolarHBondContact O-N 3.43Å; M453-L455 PolarHBondContact O-N 3.44Å; M453-F456 PolarHBondContact O-N 2.94Å; M453-L457 HydrophobicContact CG-CD1 4.05Å; M453-L457 HydrophobicContact CG-CG 4.19Å; M453-L457 WeakPolarHBondContact O-CB 3.28Å; M453-L457 VanDerWaalsContact O-CG 3.27Å; M453-L457 WeakPolarHBondContact O-CG 3.48Å; M453-L457 PolarHBondContact O-N 3.26Å; M453-L457 HydrophobicContact SD-CD1 4.19Å; M453-L457 HydrophobicContact SD-CD2 4.04Å; M453-L457 HydrophobicContact SD-CG 3.85Å; M453-L479 HydrophobicContact CE-CD1 4.11Å; M453-L479 HydrophobicContact CE-CD2 4.33Å; M453-C484 HydrophobicContact CE-CB 3.64Å; M453-N485 WeakPolarHBondContact CE-O 3.07Å; M453-L486 HydrophobicContact CE-CD2 4.05Å; M453-P488 HydrophobicContact SD-CB 4.47Å; M453-L489 HydrophobicContact SD-CB 4.48Å; M453-I632 HydrophobicContact CG-CD1 4.47Å
454	R	97.4	Very high	93.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-52.5	-54.7	176.3	-70.9	167.6	66.4	168.3	10.6	110.9	L270 H271 H272 D282 E450 D451 F456 L457 I458 I632	L270-R454 PolarHBondContact O-NE 2.82Å; L270-R454 PolarHBondContact O-NH2 3.22Å; H271-R454 PolarHBondContact O-NH2 3.41Å; H272-R454 PolarHBondContact CD2-NH1 2.79Å; H272-R454 VanDerWaalsContact NE2-CZ 3.34Å; H272-R454 PolarHBondContact NE2-NH1 3.1Å; H272-R454 VanDerWaalsContact NE2-NH1 3.13Å; D282-R454 IonicContact OD1-CZ 2.64Å; D282-R454 IonicContact OD1-NH1 3.3Å; D282-R454 PolarHBondContact OD1-NH1 3.43Å; D282-R454 IonicContact OD1-NH2 2.77Å; D282-R454 PolarHBondContact OD1-NH2 3.45Å; D282-R454 IonicContact OD2-CZ 3.82Å; D282-R454 IonicContact OD2-NH1 2.89Å; D282-R454 PolarHBondContact OD2-NH1 3.23Å; D282-R454 IonicContact OD2-NH2 2.96Å; D282-R454 PolarHBondContact OD2-NH2 2.55Å; E450-R454 HydrophobicContact CG-CG 4.46Å; E450-R454 VanDerWaalsContact O-CG 3.31Å; E450-R454 WeakPolarHBondContact O-CG 3.36Å; E450-R454 PolarHBondContact O-N 3.44Å; D451-R454 PolarHBondContact O-N 2.88Å; D451-R454 IonicContact OD1-NH1 2.71Å; R454-F456 VanDerWaalsContact C-N 3.33Å; R454-F456 PolarHBondContact O-N 3.38Å; R454-L457 PolarHBondContact O-N 3.17Å; R454-I458 VanDerWaalsContact O-CG1 3.3Å; R454-I458 WeakPolarHBondContact O-CG1 3.43Å; R454-I458 PolarHBondContact O-N 3.4Å; R454-I632 HydrophobicContact CB-CD1 4.34Å; R454-I632 HydrophobicContact CG-CD1 3.24Å; R454-I632 HydrophobicContact CG-CG1 4.45Å
455	L	96.9	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-46.5	179.4	173.1	61.3	0	0	0	112	Y420 E424 I427 L437 I440 D451 M453 I458 Y459	Y420-L455 HydrophobicContact CD1-CB 3.95Å; Y420-L455 HydrophobicContact CD1-CD2 3.84Å; Y420-L455 HydrophobicContact CD1-CG 4.42Å; Y420-L455 HydrophobicContact CE1-CB 4.1Å; Y420-L455 HydrophobicContact CE1-CD2 3.78Å; E424-L455 HydrophobicContact CG-CD1 3.66Å; I427-L455 HydrophobicContact CD1-CD1 3.81Å; L437-L455 HydrophobicContact CD1-CD1 3.81Å; L437-L455 HydrophobicContact CD1-CD2 3.76Å; L437-L455 HydrophobicContact CD1-CG 3.67Å; I440-L455 HydrophobicContact CG1-CD2 4.22Å; I440-L455 HydrophobicContact CG2-CD2 3.52Å; D451-L455 WeakPolarHBondContact O-CB 3.45Å; D451-L455 PolarHBondContact O-N 2.93Å; M453-L455 PolarHBondContact O-N 3.44Å; L455-I458 PolarHBondContact O-N 2.91Å; L455-Y459 PolarHBondContact O-N 3.17Å
456	F	96.9	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-39.8	179.1	-174.9	-104.8	0	0	0	112.7	L437 I441 K452 M453 R454 Y459 Y460 L472 Y475 L479 L489	L437-F456 HydrophobicContact CD2-CD2 3.96Å; I441-F456 HydrophobicContact CD1-CB 4.2Å; I441-F456 HydrophobicContact CD1-CD2 4.06Å; I441-F456 HydrophobicContact CD1-CG 4.49Å; K452-F456 WeakPolarHBondContact O-CB 3.4Å; K452-F456 PolarHBondContact O-N 3.49Å; K452-F456 VanDerWaalsContact O-N 3.1Å; M453-F456 PolarHBondContact O-N 2.94Å; R454-F456 VanDerWaalsContact C-N 3.33Å; R454-F456 PolarHBondContact O-N 3.38Å; F456-Y459 HydrophobicContact CD2-CD1 4.19Å; F456-Y459 AromaticContact CE2-CD1 3.96Å; F456-Y459 HydrophobicContact CE2-CD1 3.96Å; F456-Y459 HydrophobicContact CE2-CE1 4.34Å; F456-Y459 WeakPolarHBondContact O-CB 3.21Å; F456-Y459 PolarHBondContact O-N 2.96Å; F456-Y460 WeakPolarHBondContact O-CB 3.48Å; F456-Y460 PolarHBondContact O-N 3.49Å; F456-L472 HydrophobicContact CE1-CD1 4.28Å; F456-L472 HydrophobicContact CZ-CD1 3.79Å; F456-Y475 HydrophobicContact CD2-CD1 4.02Å; F456-Y475 HydrophobicContact CD2-CG 4.06Å; F456-Y475 VanDerWaalsContact CE2-CB 3.47Å; F456-Y475 AromaticContact CE2-CD1 3.75Å; F456-Y475 HydrophobicContact CE2-CD1 3.75Å; F456-Y475 AromaticContact CE2-CD2 3.67Å; F456-Y475 HydrophobicContact CE2-CD2 3.67Å; F456-Y475 HydrophobicContact CE2-CE1 4.4Å; F456-Y475 HydrophobicContact CE2-CE2 4.33Å; F456-Y475 AromaticContact CE2-CG 3.35Å; F456-Y475 HydrophobicContact CE2-CG 3.35Å; F456-Y475 HydrophobicContact CZ-CD2 4.23Å; F456-Y475 HydrophobicContact CZ-CG 4.03Å; F456-L479 HydrophobicContact CB-CD1 4.11Å; F456-L479 HydrophobicContact CB-CD2 4.29Å; F456-L479 HydrophobicContact CD1-CD1 3.59Å; F456-L479 HydrophobicContact CD2-CD1 4.47Å; F456-L479 HydrophobicContact CE1-CD1 4.13Å; F456-L479 HydrophobicContact CG-CD1 3.78Å; F456-L489 HydrophobicContact CD1-CD1 4.15Å; F456-L489 HydrophobicContact CD1-CD2 4.26Å; F456-L489 HydrophobicContact CE1-CD1 3.6Å; F456-L489 HydrophobicContact CE1-CD2 3.65Å; F456-L489 HydrophobicContact CE1-CG 4.23Å
457	L	97.1	Very high	92.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-42.1	175.9	-69.2	-178.1	0	0	0	111.2	L270 M453 R454 Y460 I461 P488 L489 I492 L635	L270-L457 HydrophobicContact CD1-CB 3.67Å; L270-L457 HydrophobicContact CD1-CD1 4Å; L270-L457 HydrophobicContact CD2-CD1 4.43Å; M453-L457 HydrophobicContact CG-CD1 4.05Å; M453-L457 HydrophobicContact CG-CG 4.19Å; M453-L457 WeakPolarHBondContact O-CB 3.28Å; M453-L457 VanDerWaalsContact O-CG 3.27Å; M453-L457 WeakPolarHBondContact O-CG 3.48Å; M453-L457 PolarHBondContact O-N 3.26Å; M453-L457 HydrophobicContact SD-CD1 4.19Å; M453-L457 HydrophobicContact SD-CD2 4.04Å; M453-L457 HydrophobicContact SD-CG 3.85Å; R454-L457 PolarHBondContact O-N 3.17Å; L457-Y460 CarbonylContact O-C 3.59Å; L457-Y460 PolarHBondContact O-N 2.84Å; L457-I461 WeakPolarHBondContact O-CB 3.41Å; L457-I461 WeakPolarHBondContact O-CD1 3.41Å; L457-I461 WeakPolarHBondContact O-CG1 3.5Å; L457-I461 PolarHBondContact O-N 2.93Å; L457-P488 HydrophobicContact CD1-CB 3.88Å; L457-L489 HydrophobicContact CD2-CB 4.12Å; L457-L489 HydrophobicContact CD2-CD1 4.21Å; L457-I492 HydrophobicContact CD2-CB 4.17Å; L457-I492 HydrophobicContact CD2-CG1 4.03Å; L457-I492 HydrophobicContact CD2-CG2 4.42Å; L457-L635 HydrophobicContact CD1-CD1 4.26Å
458	I	95.9	Very high	92.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-49.9	174.6	-67.2	161.7	0	0	0	110	L270 E424 I427 M428 R454 L455 Y460 I461 S462	L270-I458 HydrophobicContact CB-CD1 4.06Å; L270-I458 HydrophobicContact CB-CG1 3.83Å; E424-I458 HydrophobicContact CB-CD1 4.3Å; E424-I458 VanDerWaalsContact CD-CD1 3.43Å; E424-I458 HydrophobicContact CG-CD1 3.66Å; I427-I458 HydrophobicContact CG2-CG2 4.03Å; M428-I458 HydrophobicContact CG-CG2 3.78Å; M428-I458 HydrophobicContact SD-CG2 4.12Å; R454-I458 VanDerWaalsContact O-CG1 3.3Å; R454-I458 WeakPolarHBondContact O-CG1 3.43Å; R454-I458 PolarHBondContact O-N 3.4Å; L455-I458 PolarHBondContact O-N 2.91Å; I458-Y460 VanDerWaalsContact C-N 3.31Å; I458-Y460 PolarHBondContact O-N 2.75Å; I458-I461 PolarHBondContact O-N 2.83Å; I458-S462 WeakPolarHBondContact O-CB 3.39Å; I458-S462 PolarHBondContact O-N 3.44Å; I458-S462 PolarHBondContact O-OG 3.21Å; I458-S462 VanDerWaalsContact O-OG 3.09Å
459	Y	94.9	Very high	91.7	Very high	50 Å²	50	42.5 Å²	42.5	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-53.9	-48.3	173.2	170.9	-103.7	0	0	0	112.2	L437 L455 F456 I461 T463 P467 Y475	L437-Y459 HydrophobicContact CD2-CD1 3.56Å; L437-Y459 HydrophobicContact CD2-CD2 3.95Å; L437-Y459 HydrophobicContact CD2-CE1 4.17Å; L437-Y459 HydrophobicContact CD2-CG 3.43Å; L437-Y459 VanDerWaalsContact CD2-CG 3.43Å; L455-Y459 PolarHBondContact O-N 3.17Å; F456-Y459 HydrophobicContact CD2-CD1 4.19Å; F456-Y459 AromaticContact CE2-CD1 3.96Å; F456-Y459 HydrophobicContact CE2-CD1 3.96Å; F456-Y459 HydrophobicContact CE2-CE1 4.34Å; F456-Y459 WeakPolarHBondContact O-CB 3.21Å; F456-Y459 PolarHBondContact O-N 2.96Å; Y459-I461 VanDerWaalsContact C-N 3.34Å; Y459-I461 PolarHBondContact O-N 3Å; Y459-T463 HydrophobicContact CD2-CG2 3.81Å; Y459-T463 HydrophobicContact CE1-CG2 4.37Å; Y459-T463 HydrophobicContact CE2-CG2 3.5Å; Y459-T463 VanDerWaalsContact CE2-CG2 3.5Å; Y459-T463 HydrophobicContact CG-CG2 4.36Å; Y459-T463 WeakPolarHBondContact O-CB 3.12Å; Y459-T463 WeakPolarHBondContact O-CG2 3.44Å; Y459-T463 PolarHBondContact O-N 3.4Å; Y459-T463 VanDerWaalsContact O-N 3.14Å; Y459-T463 PolarHBondContact O-OG1 2.8Å; Y459-P467 HydrophobicContact CE1-CG 3.75Å; Y459-Y475 HydrophobicContact CE1-CE2 4.43Å
460	Y	94.4	Very high	91.5	Very high	15 Å²	15	43.1 Å²	43.1	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-33.2	-179.3	-167.6	-88.8	0	0	0	112.1	F456 L457 I458 T463 A466 L472 L489 I492 K493 K496	F456-Y460 WeakPolarHBondContact O-CB 3.48Å; F456-Y460 PolarHBondContact O-N 3.49Å; L457-Y460 CarbonylContact O-C 3.59Å; L457-Y460 PolarHBondContact O-N 2.84Å; I458-Y460 VanDerWaalsContact C-N 3.31Å; I458-Y460 PolarHBondContact O-N 2.75Å; Y460-T463 PolarHBondContact O-OG1 2.94Å; Y460-A466 HydrophobicContact CE2-CB 4.37Å; Y460-L472 HydrophobicContact CE2-CD1 4.35Å; Y460-L489 HydrophobicContact CD2-CD1 4.47Å; Y460-L489 HydrophobicContact CG-CD1 4.34Å; Y460-I492 HydrophobicContact CD1-CG2 3.75Å; Y460-I492 HydrophobicContact CE1-CG2 4.3Å; Y460-K493 HydrophobicContact CE1-CG 4.05Å; Y460-K493 HydrophobicContact CE2-CG 4.42Å; Y460-K496 HydrophobicContact CD1-CD 3.87Å; Y460-K496 HydrophobicContact CE1-CB 4.08Å; Y460-K496 HydrophobicContact CE1-CD 3.45Å; Y460-K496 VanDerWaalsContact CE1-CD 3.45Å; Y460-K496 HydrophobicContact CE1-CG 4.38Å; Y460-K496 WeakPolarHBondContact O-CD 3.3Å; Y460-K496 WeakPolarHBondContact O-CE 3.41Å; Y460-K496 PolarHBondContact O-NZ 3.31Å
461	I	92.7	Very high	91.2	Very high	26 Å²	26	44.3 Å²	44.3	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-74.1	-46	177.9	-68.7	159.7	0	0	0	110.4	L266 A267 L270 L457 I458 Y459 T463 I492 W495	L266-I461 HydrophobicContact CB-CD1 3.95Å; A267-I461 HydrophobicContact CB-CG2 4Å; L270-I461 HydrophobicContact CD1-CD1 3.91Å; L457-I461 WeakPolarHBondContact O-CB 3.41Å; L457-I461 WeakPolarHBondContact O-CD1 3.41Å; L457-I461 WeakPolarHBondContact O-CG1 3.5Å; L457-I461 PolarHBondContact O-N 2.93Å; I458-I461 PolarHBondContact O-N 2.83Å; Y459-I461 VanDerWaalsContact C-N 3.34Å; Y459-I461 PolarHBondContact O-N 3Å; I461-T463 PolarHBondContact O-N 3.15Å; I461-I492 HydrophobicContact CD1-CD1 4.23Å; I461-I492 HydrophobicContact CD1-CG2 4.34Å; I461-I492 HydrophobicContact CG1-CG2 3.8Å; I461-W495 HydrophobicContact CG1-CZ3 4.24Å; I461-W495 HydrophobicContact CG2-CH2 4.22Å; I461-W495 HydrophobicContact CG2-CZ3 4.12Å
462	S	89.4	Confident	91	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-77.4	-19.5	-171.9	-57.9	0	0	0	0	114.8	I458	I458-S462 WeakPolarHBondContact O-CB 3.39Å; I458-S462 PolarHBondContact O-N 3.44Å; I458-S462 PolarHBondContact O-OG 3.21Å; I458-S462 VanDerWaalsContact O-OG 3.09Å
463	T	86.1	Confident	90.9	Very high	29 Å²	29	49.2 Å²	49.2	18%	0.178	27%	0.265	C	S	.	.			trans	-72.6	134.3	178.4	45	0	0	0	0	112.5	Y459 Y460 I461 Q465 K496	Y459-T463 HydrophobicContact CD2-CG2 3.81Å; Y459-T463 HydrophobicContact CE1-CG2 4.37Å; Y459-T463 HydrophobicContact CE2-CG2 3.5Å; Y459-T463 VanDerWaalsContact CE2-CG2 3.5Å; Y459-T463 HydrophobicContact CG-CG2 4.36Å; Y459-T463 WeakPolarHBondContact O-CB 3.12Å; Y459-T463 WeakPolarHBondContact O-CG2 3.44Å; Y459-T463 PolarHBondContact O-N 3.4Å; Y459-T463 VanDerWaalsContact O-N 3.14Å; Y459-T463 PolarHBondContact O-OG1 2.8Å; Y460-T463 PolarHBondContact O-OG1 2.94Å; I461-T463 PolarHBondContact O-N 3.15Å; T463-Q465 WeakPolarHBondContact CB-O 3.41Å; T463-K496 WeakPolarHBondContact O-CE 3.37Å; T463-K496 PolarHBondContact O-NZ 3.02Å; T463-K496 PolarHBondContact OG1-NZ 3.46Å
464	Q	77.6	Confident	90.8	Very high	154 Å²	154	54 Å²	54	72%	0.72	29%	0.288	S	S	*	.	S	Bend	trans	-70.5	-47.4	177.8	-69.3	-175.2	-11.9	0	0	112.1	K500	Q464-K500 WeakPolarHBondContact O-CE 3.38Å; Q464-K500 PolarHBondContact O-NZ 2.99Å
465	Q	78.4	Confident	90.7	Very high	165 Å²	165	55.2 Å²	55.2	77%	0.771	29%	0.293	S	S	*	.	S	Bend	trans	-98.4	135.4	174.9	-67.8	-179.1	-6.4	0	0	108.8	T463	T463-Q465 WeakPolarHBondContact CB-O 3.41Å
466	A	79.1	Confident	90.7	Very high	46 Å²	46	57.7 Å²	57.7	38%	0.38	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-66.9	149	174.2	0	0	0	0	0	108.7	Y460	Y460-A466 HydrophobicContact CE2-CB 4.37Å
467	P	84.8	Confident	90.7	Very high	18 Å²	18	64.2 Å²	64.2	12%	0.117	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-52.9	153.5	170.6	-23.8	33.7	0	0	0	111	Y459 D471 L472	Y459-P467 HydrophobicContact CE1-CG 3.75Å; P467-D471 HydrophobicContact CB-CB 4.11Å; P467-L472 HydrophobicContact CB-CB 4.46Å
468	S	88.7	Confident	90.7	Very high	57 Å²	57	64.7 Å²	64.7	40%	0.399	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-58.2	157	172.3	77.8	0	0	0	0	110.1	A470 D471 L472	S468-A470 PolarHBondContact O-N 3.33Å; S468-D471 WeakPolarHBondContact CB-OD2 3.48Å; S468-D471 PolarHBondContact O-N 2.72Å; S468-D471 PolarHBondContact OG-N 3.15Å; S468-D471 PolarHBondContact OG-OD2 3.38Å; S468-L472 WeakPolarHBondContact O-CB 3.47Å; S468-L472 PolarHBondContact O-N 3.49Å
469	E	89.6	Confident	90.7	Very high	171 Å²	171	64.7 Å²	64.7	80%	0.799	34%	0.336	S	S	*	.	H	α-helix	trans	-60.3	-35.6	-179.2	-170.5	166.9	-158.7	0	0	111.9	E473	E469-E473 WeakPolarHBondContact O-CB 3.44Å; E469-E473 PolarHBondContact O-N 3.08Å
470	A	91.7	Very high	90.9	Very high	75 Å²	75	66 Å²	66	62%	0.62	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-48.2	174.7	0	0	0	0	0	112.2	S468 L472 E473 Q474	S468-A470 PolarHBondContact O-N 3.33Å; A470-L472 VanDerWaalsContact C-N 3.32Å; A470-L472 PolarHBondContact O-N 2.92Å; A470-E473 PolarHBondContact O-N 3.05Å; A470-Q474 PolarHBondContact O-N 3.31Å; A470-Q474 VanDerWaalsContact O-N 3.09Å
471	D	91.2	Very high	91	Very high	73 Å²	73	71 Å²	71	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-41.9	178.2	-58.3	-37.7	0	0	0	110.8	P467 S468 E473 Q474 Y475	P467-D471 HydrophobicContact CB-CB 4.11Å; S468-D471 WeakPolarHBondContact CB-OD2 3.48Å; S468-D471 PolarHBondContact O-N 2.72Å; S468-D471 PolarHBondContact OG-N 3.15Å; S468-D471 PolarHBondContact OG-OD2 3.38Å; D471-E473 VanDerWaalsContact C-N 3.29Å; D471-E473 PolarHBondContact O-N 3.37Å; D471-Q474 WeakPolarHBondContact O-CB 3.38Å; D471-Q474 PolarHBondContact O-N 2.97Å; D471-Y475 HydrophobicContact CB-CE2 4.38Å; D471-Y475 WeakPolarHBondContact O-CD2 3.16Å; D471-Y475 PolarHBondContact O-N 3.12Å
472	L	93.2	Very high	91.1	Very high	11 Å²	11	70.9 Å²	70.9	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-39.3	178.7	-176.2	61.6	0	0	0	111.4	F456 Y460 P467 S468 A470 Q474 Y475 K476 K493	F456-L472 HydrophobicContact CE1-CD1 4.28Å; F456-L472 HydrophobicContact CZ-CD1 3.79Å; Y460-L472 HydrophobicContact CE2-CD1 4.35Å; P467-L472 HydrophobicContact CB-CB 4.46Å; S468-L472 WeakPolarHBondContact O-CB 3.47Å; S468-L472 PolarHBondContact O-N 3.49Å; A470-L472 VanDerWaalsContact C-N 3.32Å; A470-L472 PolarHBondContact O-N 2.92Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Y475 PolarHBondContact O-N 3.23Å; L472-K476 WeakPolarHBondContact O-CG 3.49Å; L472-K476 PolarHBondContact O-N 3.22Å; L472-K493 HydrophobicContact CD2-CD 4.2Å
473	E	95.1	Very high	91.4	Very high	103 Å²	103	72 Å²	72	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-68	-36.3	176.9	-159.4	57.8	-149.8	0	0	111.9	E469 A470 D471 K476 K477	E469-E473 WeakPolarHBondContact O-CB 3.44Å; E469-E473 PolarHBondContact O-N 3.08Å; A470-E473 PolarHBondContact O-N 3.05Å; D471-E473 VanDerWaalsContact C-N 3.29Å; D471-E473 PolarHBondContact O-N 3.37Å; E473-K476 PolarHBondContact O-N 2.75Å; E473-K476 WeakPolarHBondContact OE2-CD 3.28Å; E473-K476 IonicContact OE2-NZ 3.56Å; E473-K476 PolarHBondContact OE2-NZ 3.33Å; E473-K477 WeakPolarHBondContact O-CB 3.19Å; E473-K477 PolarHBondContact O-N 2.68Å
474	Q	95.3	Very high	91.9	Very high	106 Å²	106	71.1 Å²	71.1	50%	0.495	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-44.7	172.4	-170	177.9	13	0	0	111.9	L438 A470 D471 L472 K477 A478	L438-Q474 HydrophobicContact CD1-CG 3.99Å; L438-Q474 HydrophobicContact CD2-CG 4.08Å; A470-Q474 PolarHBondContact O-N 3.31Å; A470-Q474 VanDerWaalsContact O-N 3.09Å; D471-Q474 WeakPolarHBondContact O-CB 3.38Å; D471-Q474 PolarHBondContact O-N 2.97Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; Q474-K477 PolarHBondContact O-N 3.11Å; Q474-A478 PolarHBondContact O-N 2.75Å
475	Y	96.1	Very high	92.7	Very high	26 Å²	26	67.5 Å²	67.5	10%	0.102	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-44.3	175.5	-74.3	-64	0	0	0	112.5	L437 L438 I441 F456 Y459 D471 L472 K477 A478 L479	L437-Y475 HydrophobicContact CB-CE1 4.02Å; L437-Y475 HydrophobicContact CD2-CE1 4.04Å; L437-Y475 HydrophobicContact CG-CE1 4.28Å; L438-Y475 HydrophobicContact CB-CE1 4.15Å; L438-Y475 HydrophobicContact CD1-CD1 3.68Å; L438-Y475 HydrophobicContact CD1-CE1 3.87Å; L438-Y475 HydrophobicContact CD1-CG 4.43Å; I441-Y475 HydrophobicContact CD1-CD1 3.95Å; I441-Y475 HydrophobicContact CD1-CE1 4.34Å; F456-Y475 HydrophobicContact CD2-CD1 4.02Å; F456-Y475 HydrophobicContact CD2-CG 4.06Å; F456-Y475 VanDerWaalsContact CE2-CB 3.47Å; F456-Y475 AromaticContact CE2-CD1 3.75Å; F456-Y475 HydrophobicContact CE2-CD1 3.75Å; F456-Y475 AromaticContact CE2-CD2 3.67Å; F456-Y475 HydrophobicContact CE2-CD2 3.67Å; F456-Y475 HydrophobicContact CE2-CE1 4.4Å; F456-Y475 HydrophobicContact CE2-CE2 4.33Å; F456-Y475 AromaticContact CE2-CG 3.35Å; F456-Y475 HydrophobicContact CE2-CG 3.35Å; F456-Y475 HydrophobicContact CZ-CD2 4.23Å; F456-Y475 HydrophobicContact CZ-CG 4.03Å; Y459-Y475 HydrophobicContact CE1-CE2 4.43Å; D471-Y475 HydrophobicContact CB-CE2 4.38Å; D471-Y475 WeakPolarHBondContact O-CD2 3.16Å; D471-Y475 PolarHBondContact O-N 3.12Å; L472-Y475 PolarHBondContact O-N 3.23Å; Y475-K477 VanDerWaalsContact C-N 3.31Å; Y475-K477 PolarHBondContact O-N 3.38Å; Y475-A478 PolarHBondContact O-N 3.22Å; Y475-L479 WeakPolarHBondContact O-CB 3.44Å; Y475-L479 VanDerWaalsContact O-CG 3.26Å; Y475-L479 WeakPolarHBondContact O-CG 3.42Å; Y475-L479 PolarHBondContact O-N 2.91Å
476	K	96.6	Very high	93.6	Very high	51 Å²	51	62 Å²	62	22%	0.222	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-42	176.8	-73.8	178	-163.7	160.6	0	112	L472 E473 L479 T480 L486 L489	L472-K476 WeakPolarHBondContact O-CG 3.49Å; L472-K476 PolarHBondContact O-N 3.22Å; E473-K476 PolarHBondContact O-N 2.75Å; E473-K476 WeakPolarHBondContact OE2-CD 3.28Å; E473-K476 IonicContact OE2-NZ 3.56Å; E473-K476 PolarHBondContact OE2-NZ 3.33Å; K476-L479 PolarHBondContact O-N 2.63Å; K476-T480 WeakPolarHBondContact O-CB 3.42Å; K476-T480 PolarHBondContact O-N 3.21Å; K476-T480 PolarHBondContact O-OG1 2.77Å; K476-L486 HydrophobicContact CB-CD1 4.06Å; K476-L486 HydrophobicContact CD-CD1 4.46Å; K476-L486 HydrophobicContact CG-CD1 4.19Å; K476-L489 HydrophobicContact CG-CD2 4.07Å
477	K	96.9	Very high	94.5	Very high	137 Å²	137	61.7 Å²	61.7	60%	0.596	35%	0.345	S	S	*	.	H	α-helix	trans	-61.1	-51.3	176.5	-176	178.4	177	-176.5	0	110.4	E473 Q474 Y475 L479 T480 D481	E473-K477 WeakPolarHBondContact O-CB 3.19Å; E473-K477 PolarHBondContact O-N 2.68Å; Q474-K477 PolarHBondContact O-N 3.11Å; Y475-K477 VanDerWaalsContact C-N 3.31Å; Y475-K477 PolarHBondContact O-N 3.38Å; K477-L479 VanDerWaalsContact C-N 3.31Å; K477-L479 PolarHBondContact O-N 2.84Å; K477-T480 PolarHBondContact O-N 2.86Å; K477-T480 VanDerWaalsContact O-N 3.11Å; K477-D481 WeakPolarHBondContact O-CB 3.42Å; K477-D481 VanDerWaalsContact O-CG 3.24Å; K477-D481 PolarHBondContact O-N 2.82Å
478	A	96.9	Very high	95.1	Very high	11 Å²	11	61 Å²	61	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-40.9	178.4	0	0	0	0	0	112.7	L438 I441 Q474 Y475 A482	L438-A478 HydrophobicContact CD1-CB 3.9Å; I441-A478 HydrophobicContact CG2-CB 3.86Å; Q474-A478 PolarHBondContact O-N 2.75Å; Y475-A478 PolarHBondContact O-N 3.22Å; A478-A482 VanDerWaalsContact O-CB 3.29Å; A478-A482 WeakPolarHBondContact O-CB 3.2Å; A478-A482 PolarHBondContact O-N 3.24Å
479	L	97.1	Very high	95.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-41.9	175	-72.5	167.6	0	0	0	112.1	I441 K452 M453 F456 Y475 K476 K477 A482 G483 C484 L486	I441-L479 HydrophobicContact CD1-CD2 4.39Å; I441-L479 HydrophobicContact CG2-CD2 3.85Å; I441-L479 HydrophobicContact CG2-CG 4.12Å; K452-L479 HydrophobicContact CB-CD2 4.2Å; M453-L479 HydrophobicContact CE-CD1 4.11Å; M453-L479 HydrophobicContact CE-CD2 4.33Å; F456-L479 HydrophobicContact CB-CD1 4.11Å; F456-L479 HydrophobicContact CB-CD2 4.29Å; F456-L479 HydrophobicContact CD1-CD1 3.59Å; F456-L479 HydrophobicContact CD2-CD1 4.47Å; F456-L479 HydrophobicContact CE1-CD1 4.13Å; F456-L479 HydrophobicContact CG-CD1 3.78Å; Y475-L479 WeakPolarHBondContact O-CB 3.44Å; Y475-L479 VanDerWaalsContact O-CG 3.26Å; Y475-L479 WeakPolarHBondContact O-CG 3.42Å; Y475-L479 PolarHBondContact O-N 2.91Å; K476-L479 PolarHBondContact O-N 2.63Å; K477-L479 VanDerWaalsContact C-N 3.31Å; K477-L479 PolarHBondContact O-N 2.84Å; L479-A482 CarbonylContact O-C 3.42Å; L479-A482 PolarHBondContact O-N 2.85Å; L479-G483 PolarHBondContact O-N 2.99Å; L479-C484 HydrophobicContact CB-CB 4.03Å; L479-C484 HydrophobicContact CD2-CB 4.37Å; L479-C484 WeakPolarHBondContact O-CB 3.33Å; L479-C484 PolarHBondContact O-N 2.88Å; L479-C484 PolarHBondContact O-SG 3.24Å; L479-L486 HydrophobicContact CB-CD2 3.89Å; L479-L486 HydrophobicContact CD1-CD2 4.31Å
480	T	97.3	Very high	95.7	Very high	76 Å²	76	53.1 Å²	53.1	47%	0.466	30%	0.297	S	S	.	.	H	α-helix	trans	-66.9	-43.8	178.4	-54.8	0	0	0	0	111.1	K476 K477 A482 G483	K476-T480 WeakPolarHBondContact O-CB 3.42Å; K476-T480 PolarHBondContact O-N 3.21Å; K476-T480 PolarHBondContact O-OG1 2.77Å; K477-T480 PolarHBondContact O-N 2.86Å; K477-T480 VanDerWaalsContact O-N 3.11Å; T480-A482 PolarHBondContact O-N 2.74Å; T480-G483 WeakPolarHBondContact O-CA 3.16Å; T480-G483 PolarHBondContact O-N 2.95Å
481	D	96.7	Very high	95.9	Very high	120 Å²	120	50.6 Å²	50.6	64%	0.642	27%	0.272	S	S	*	.	H	α-helix	trans	-62.8	-31.4	176	-67.2	-15.4	0	0	0	111	K477 G483	K477-D481 WeakPolarHBondContact O-CB 3.42Å; K477-D481 VanDerWaalsContact O-CG 3.24Å; K477-D481 PolarHBondContact O-N 2.82Å; D481-G483 VanDerWaalsContact C-N 3.25Å; D481-G483 PolarHBondContact O-N 3.27Å
482	A	95.5	Very high	96.1	Very high	24 Å²	24	47.1 Å²	47.1	20%	0.198	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.4	171.9	0	0	0	0	0	114.4	P449 K452 A478 L479 T480	P449-A482 WeakPolarHBondContact CG-O 3.19Å; K452-A482 HydrophobicContact CD-CB 3.72Å; A478-A482 VanDerWaalsContact O-CB 3.29Å; A478-A482 WeakPolarHBondContact O-CB 3.2Å; A478-A482 PolarHBondContact O-N 3.24Å; L479-A482 CarbonylContact O-C 3.42Å; L479-A482 PolarHBondContact O-N 2.85Å; T480-A482 PolarHBondContact O-N 2.74Å
483	G	96.1	Very high	96.1	Very high	58 Å²	58	50.3 Å²	50.3	60%	0.598	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	14.4	177.9	0	0	0	0	0	115.2	L479 T480 D481	L479-G483 PolarHBondContact O-N 2.99Å; T480-G483 WeakPolarHBondContact O-CA 3.16Å; T480-G483 PolarHBondContact O-N 2.95Å; D481-G483 VanDerWaalsContact C-N 3.25Å; D481-G483 PolarHBondContact O-N 3.27Å
484	C	96.3	Very high	95.9	Very high	12 Å²	12	49.3 Å²	49.3	8%	0.081	26%	0.262	C	S	.	.			trans	-77.2	140.2	-179.4	-54	0	0	0	0	112.1	P449 M453 L479	P449-C484 PolarHBondContact O-SG 3.09Å; M453-C484 HydrophobicContact CE-CB 3.64Å; L479-C484 HydrophobicContact CB-CB 4.03Å; L479-C484 HydrophobicContact CD2-CB 4.37Å; L479-C484 WeakPolarHBondContact O-CB 3.33Å; L479-C484 PolarHBondContact O-N 2.88Å; L479-C484 PolarHBondContact O-SG 3.24Å
485	N	94.9	Very high	95.7	Very high	78 Å²	78	46 Å²	46	42%	0.417	25%	0.245	S	C	.	.			trans	-77.4	125.1	166.1	177.4	-2.4	0	0	0	110.1	M453 N487 P488 S636	M453-N485 WeakPolarHBondContact CE-O 3.07Å; N485-N487 WeakPolarHBondContact OD1-CB 3.39Å; N485-N487 PolarHBondContact OD1-N 2.87Å; N485-N487 PolarHBondContact OD1-ND2 2.83Å; N485-N487 PolarHBondContact OD1-OD1 3.12Å; N485-P488 VanDerWaalsContact O-CD 3.27Å; N485-P488 WeakPolarHBondContact O-CD 3.27Å; N485-S636 PolarHBondContact ND2-OG 3.38Å
486	L	96.9	Very high	95.4	Very high	48 Å²	48	45.5 Å²	45.5	25%	0.251	24%	0.243	S	C	.	.	S	Bend	trans	-83.6	-4.5	-177.7	-59.5	-173.9	0	0	0	115	M453 K476 L479 L489 Q490	M453-L486 HydrophobicContact CE-CD2 4.05Å; K476-L486 HydrophobicContact CB-CD1 4.06Å; K476-L486 HydrophobicContact CD-CD1 4.46Å; K476-L486 HydrophobicContact CG-CD1 4.19Å; L479-L486 HydrophobicContact CB-CD2 3.89Å; L479-L486 HydrophobicContact CD1-CD2 4.31Å; L486-L489 WeakPolarHBondContact O-CB 3.24Å; L486-L489 PolarHBondContact O-N 2.93Å; L486-L489 VanDerWaalsContact O-N 3.12Å; L486-Q490 PolarHBondContact O-N 2.83Å
487	N	97.2	Very high	94.9	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-43	-179.1	-62.1	-13.2	0	0	0	113.7	N485 L489 Q490 Y491 S636 G639 Q640	N485-N487 WeakPolarHBondContact OD1-CB 3.39Å; N485-N487 PolarHBondContact OD1-N 2.87Å; N485-N487 PolarHBondContact OD1-ND2 2.83Å; N485-N487 PolarHBondContact OD1-OD1 3.12Å; N487-L489 VanDerWaalsContact C-N 3.26Å; N487-L489 PolarHBondContact O-N 2.79Å; N487-Q490 WeakPolarHBondContact O-CB 3.22Å; N487-Q490 PolarHBondContact O-N 2.95Å; N487-Y491 PolarHBondContact O-N 2.84Å; N487-Y491 VanDerWaalsContact O-N 3.12Å; N487-S636 VanDerWaalsContact CB-O 3.24Å; N487-S636 WeakPolarHBondContact CB-O 3.4Å; N487-G639 WeakPolarHBondContact O-CA 3.43Å; N487-Q640 WeakPolarHBondContact ND2-CG 3.39Å
488	P	97.3	Very high	94.3	Very high	2 Å²	2	45 Å²	45	1%	0.013	25%	0.25	C	S	.	.	H	α-helix	trans	-54	-43.7	173.6	-25.8	34.7	0	0	0	112.8	M453 L457 N485 Q490 Y491 I492 I632 L635	M453-P488 HydrophobicContact SD-CB 4.47Å; L457-P488 HydrophobicContact CD1-CB 3.88Å; N485-P488 VanDerWaalsContact O-CD 3.27Å; N485-P488 WeakPolarHBondContact O-CD 3.27Å; P488-Q490 VanDerWaalsContact C-N 3.33Å; P488-Q490 PolarHBondContact O-N 2.83Å; P488-Y491 PolarHBondContact O-N 2.91Å; P488-I492 WeakPolarHBondContact O-CG1 3.4Å; P488-I492 PolarHBondContact O-N 2.86Å; P488-I632 HydrophobicContact CG-CG2 4.11Å; P488-L635 HydrophobicContact CB-CB 3.99Å
489	L	96.3	Very high	93.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-39.7	177.5	174.4	60.3	0	0	0	111.6	M453 F456 L457 Y460 K476 L486 N487 Y491 I492 K493	M453-L489 HydrophobicContact SD-CB 4.48Å; F456-L489 HydrophobicContact CD1-CD1 4.15Å; F456-L489 HydrophobicContact CD1-CD2 4.26Å; F456-L489 HydrophobicContact CE1-CD1 3.6Å; F456-L489 HydrophobicContact CE1-CD2 3.65Å; F456-L489 HydrophobicContact CE1-CG 4.23Å; L457-L489 HydrophobicContact CD2-CB 4.12Å; L457-L489 HydrophobicContact CD2-CD1 4.21Å; Y460-L489 HydrophobicContact CD2-CD1 4.47Å; Y460-L489 HydrophobicContact CG-CD1 4.34Å; K476-L489 HydrophobicContact CG-CD2 4.07Å; L486-L489 WeakPolarHBondContact O-CB 3.24Å; L486-L489 PolarHBondContact O-N 2.93Å; L486-L489 VanDerWaalsContact O-N 3.12Å; N487-L489 VanDerWaalsContact C-N 3.26Å; N487-L489 PolarHBondContact O-N 2.79Å; L489-Y491 VanDerWaalsContact C-N 3.32Å; L489-Y491 PolarHBondContact O-N 3.28Å; L489-I492 PolarHBondContact O-N 3.31Å; L489-K493 HydrophobicContact CD1-CG 4.15Å; L489-K493 HydrophobicContact CG-CG 4.5Å; L489-K493 WeakPolarHBondContact O-CB 3.4Å; L489-K493 WeakPolarHBondContact O-CG 3.27Å; L489-K493 PolarHBondContact O-N 2.9Å
490	Q	94.8	Very high	92.6	Very high	60 Å²	60	51.9 Å²	51.9	28%	0.28	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-44.8	177.1	-178.6	175.8	-42.5	0	0	111.7	L486 N487 P488 Q494 G639 K641	L486-Q490 PolarHBondContact O-N 2.83Å; N487-Q490 WeakPolarHBondContact O-CB 3.22Å; N487-Q490 PolarHBondContact O-N 2.95Å; P488-Q490 VanDerWaalsContact C-N 3.33Å; P488-Q490 PolarHBondContact O-N 2.83Å; Q490-Q494 WeakPolarHBondContact O-CG 3.31Å; Q490-Q494 PolarHBondContact O-N 3.42Å; Q490-G639 VanDerWaalsContact CD-O 3.31Å; Q490-G639 PolarHBondContact NE2-O 2.95Å; Q490-K641 VanDerWaalsContact NE2-CE 3.3Å
491	Y	95.8	Very high	91.4	Very high	22 Å²	22	54 Å²	54	9%	0.086	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-48.4	176.3	-178.6	-99	0	0	0	111.8	Y172 N176 N487 P488 L489 K493 Q494 W495 L635 L638	Y172-Y491 AromaticContact CE1-CE1 3.76Å; Y172-Y491 HydrophobicContact CE1-CE1 3.76Å; Y172-Y491 PolarHBondContact OH-OH 3.25Å; N176-Y491 WeakPolarHBondContact CB-OH 3.39Å; N487-Y491 PolarHBondContact O-N 2.84Å; N487-Y491 VanDerWaalsContact O-N 3.12Å; P488-Y491 PolarHBondContact O-N 2.91Å; L489-Y491 VanDerWaalsContact C-N 3.32Å; L489-Y491 PolarHBondContact O-N 3.28Å; Y491-K493 VanDerWaalsContact C-N 3.27Å; Y491-K493 PolarHBondContact O-N 2.81Å; Y491-Q494 WeakPolarHBondContact O-CA 3.12Å; Y491-Q494 WeakPolarHBondContact O-CB 3.34Å; Y491-Q494 PolarHBondContact O-N 3.23Å; Y491-W495 HydrophobicContact CE1-CB 4.45Å; Y491-W495 PolarHBondContact O-N 3.46Å; Y491-L635 HydrophobicContact CD1-CD2 3.74Å; Y491-L635 HydrophobicContact CE1-CD2 3.93Å; Y491-L638 HydrophobicContact CD1-CB 4.37Å; Y491-L638 HydrophobicContact CD1-CD1 4.35Å; Y491-L638 HydrophobicContact CD2-CB 3.42Å; Y491-L638 VanDerWaalsContact CD2-CB 3.42Å; Y491-L638 HydrophobicContact CD2-CD1 4.32Å; Y491-L638 HydrophobicContact CD2-CG 4.42Å; Y491-L638 HydrophobicContact CE1-CD1 3.91Å; Y491-L638 HydrophobicContact CE2-CB 3.68Å; Y491-L638 HydrophobicContact CE2-CD1 3.87Å; Y491-L638 HydrophobicContact CE2-CD2 4.45Å; Y491-L638 HydrophobicContact CE2-CG 4.22Å; Y491-L638 HydrophobicContact CG-CB 3.78Å
492	I	95.1	Very high	89.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-33.7	-179.8	-68.5	-63.4	0	0	0	112.3	L266 L457 Y460 I461 P488 L489 K496 L635	L266-I492 HydrophobicContact CD1-CD1 3.59Å; L457-I492 HydrophobicContact CD2-CB 4.17Å; L457-I492 HydrophobicContact CD2-CG1 4.03Å; L457-I492 HydrophobicContact CD2-CG2 4.42Å; Y460-I492 HydrophobicContact CD1-CG2 3.75Å; Y460-I492 HydrophobicContact CE1-CG2 4.3Å; I461-I492 HydrophobicContact CD1-CD1 4.23Å; I461-I492 HydrophobicContact CD1-CG2 4.34Å; I461-I492 HydrophobicContact CG1-CG2 3.8Å; P488-I492 WeakPolarHBondContact O-CG1 3.4Å; P488-I492 PolarHBondContact O-N 2.86Å; L489-I492 PolarHBondContact O-N 3.31Å; I492-K496 VanDerWaalsContact O-CB 3.31Å; I492-K496 WeakPolarHBondContact O-CB 3.42Å; I492-K496 PolarHBondContact O-N 3.04Å; I492-L635 HydrophobicContact CD1-CD1 4.15Å; I492-L635 HydrophobicContact CD1-CD2 4.18Å; I492-L635 HydrophobicContact CG1-CD1 4.28Å
493	K	93.3	Very high	88.1	Confident	78 Å²	78	55.5 Å²	55.5	34%	0.339	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-45.2	171.1	-80.4	-172.7	70.4	176.3	0	112.1	Y460 L472 L489 Y491 A497	Y460-K493 HydrophobicContact CE1-CG 4.05Å; Y460-K493 HydrophobicContact CE2-CG 4.42Å; L472-K493 HydrophobicContact CD2-CD 4.2Å; L489-K493 HydrophobicContact CD1-CG 4.15Å; L489-K493 HydrophobicContact CG-CG 4.5Å; L489-K493 WeakPolarHBondContact O-CB 3.4Å; L489-K493 WeakPolarHBondContact O-CG 3.27Å; L489-K493 PolarHBondContact O-N 2.9Å; Y491-K493 VanDerWaalsContact C-N 3.27Å; Y491-K493 PolarHBondContact O-N 2.81Å; K493-A497 PolarHBondContact O-N 3.3Å; K493-A497 VanDerWaalsContact O-N 3.15Å
494	Q	90.9	Very high	85.4	Confident	83 Å²	83	55.8 Å²	55.8	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-50	178.9	-65.7	173.8	12.1	0	0	110.3	Q490 Y491 K496 A497 F498	Q490-Q494 WeakPolarHBondContact O-CG 3.31Å; Q490-Q494 PolarHBondContact O-N 3.42Å; Y491-Q494 WeakPolarHBondContact O-CA 3.12Å; Y491-Q494 WeakPolarHBondContact O-CB 3.34Å; Y491-Q494 PolarHBondContact O-N 3.23Å; Q494-K496 VanDerWaalsContact C-N 3.35Å; Q494-K496 PolarHBondContact O-N 3.1Å; Q494-A497 WeakPolarHBondContact O-CB 3.34Å; Q494-A497 PolarHBondContact O-N 3.12Å; Q494-A497 VanDerWaalsContact O-N 3.1Å; Q494-F498 HydrophobicContact CB-CE2 4.38Å; Q494-F498 WeakPolarHBondContact O-CD2 3.41Å; Q494-F498 PolarHBondContact O-N 3.42Å
495	W	91.4	Very high	82.6	Confident	37 Å²	37	60.6 Å²	60.6	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-52.4	-51	176.1	172.3	86.6	0	0	0	111.7	N263 L266 I461 Y491 A497 F498 T499	N263-W495 PolarHBondContact OD1-NE1 3.5Å; L266-W495 HydrophobicContact CD1-CD2 3.48Å; L266-W495 VanDerWaalsContact CD1-CD2 3.48Å; L266-W495 VanDerWaalsContact CD1-CE2 3.41Å; L266-W495 HydrophobicContact CD1-CE3 3.93Å; L266-W495 HydrophobicContact CD1-CG 3.83Å; L266-W495 HydrophobicContact CD1-CH2 4.25Å; L266-W495 HydrophobicContact CD1-CZ2 3.83Å; L266-W495 HydrophobicContact CD1-CZ3 4.3Å; L266-W495 HydrophobicContact CG-CD2 4.45Å; L266-W495 HydrophobicContact CG-CH2 4.32Å; L266-W495 HydrophobicContact CG-CZ2 3.89Å; I461-W495 HydrophobicContact CG1-CZ3 4.24Å; I461-W495 HydrophobicContact CG2-CH2 4.22Å; I461-W495 HydrophobicContact CG2-CZ3 4.12Å; Y491-W495 HydrophobicContact CE1-CB 4.45Å; Y491-W495 PolarHBondContact O-N 3.46Å; W495-A497 VanDerWaalsContact C-N 3.27Å; W495-A497 PolarHBondContact O-N 3.31Å; W495-F498 WeakPolarHBondContact O-CB 3.16Å; W495-F498 PolarHBondContact O-N 2.88Å; W495-T499 PolarHBondContact O-N 3.28Å; W495-T499 PolarHBondContact O-OG1 2.96Å; W495-T499 VanDerWaalsContact O-OG1 3.07Å
496	K	89.1	Confident	79.8	Confident	14 Å²	14	62 Å²	62	6%	0.061	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-33.3	-179.2	-167.3	174.9	-175.5	-179.6	0	112.6	Y460 T463 I492 Q494 K500	Y460-K496 HydrophobicContact CD1-CD 3.87Å; Y460-K496 HydrophobicContact CE1-CB 4.08Å; Y460-K496 HydrophobicContact CE1-CD 3.45Å; Y460-K496 VanDerWaalsContact CE1-CD 3.45Å; Y460-K496 HydrophobicContact CE1-CG 4.38Å; Y460-K496 WeakPolarHBondContact O-CD 3.3Å; Y460-K496 WeakPolarHBondContact O-CE 3.41Å; Y460-K496 PolarHBondContact O-NZ 3.31Å; T463-K496 WeakPolarHBondContact O-CE 3.37Å; T463-K496 PolarHBondContact O-NZ 3.02Å; T463-K496 PolarHBondContact OG1-NZ 3.46Å; I492-K496 VanDerWaalsContact O-CB 3.31Å; I492-K496 WeakPolarHBondContact O-CB 3.42Å; I492-K496 PolarHBondContact O-N 3.04Å; Q494-K496 VanDerWaalsContact C-N 3.35Å; Q494-K496 PolarHBondContact O-N 3.1Å; K496-K500 WeakPolarHBondContact O-CG 3.44Å; K496-K500 PolarHBondContact O-N 3.17Å; K496-K500 VanDerWaalsContact O-N 3.09Å
497	A	87.1	Confident	76.7	Confident	48 Å²	48	64.5 Å²	64.5	40%	0.397	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-43.6	173.9	0	0	0	0	0	111.5	K493 Q494 W495 K500 M501	K493-A497 PolarHBondContact O-N 3.3Å; K493-A497 VanDerWaalsContact O-N 3.15Å; Q494-A497 WeakPolarHBondContact O-CB 3.34Å; Q494-A497 PolarHBondContact O-N 3.12Å; Q494-A497 VanDerWaalsContact O-N 3.1Å; W495-A497 VanDerWaalsContact C-N 3.27Å; W495-A497 PolarHBondContact O-N 3.31Å; A497-K500 PolarHBondContact O-N 2.82Å; A497-M501 WeakPolarHBondContact O-CG 3.07Å; A497-M501 PolarHBondContact O-N 3.47Å
498	F	83.8	Confident	73.4	Confident	130 Å²	130	73.6 Å²	73.6	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-62.1	-45.8	174.6	-74.2	-66.6	0	0	0	112.4	Q494 W495 K500 M501 A502	Q494-F498 HydrophobicContact CB-CE2 4.38Å; Q494-F498 WeakPolarHBondContact O-CD2 3.41Å; Q494-F498 PolarHBondContact O-N 3.42Å; W495-F498 WeakPolarHBondContact O-CB 3.16Å; W495-F498 PolarHBondContact O-N 2.88Å; F498-K500 VanDerWaalsContact C-N 3.3Å; F498-K500 PolarHBondContact O-N 3.46Å; F498-M501 HydrophobicContact CD1-CE 3.59Å; F498-M501 HydrophobicContact CE1-CE 4.02Å; F498-M501 HydrophobicContact CG-CE 4.25Å; F498-M501 PolarHBondContact O-N 3.38Å; F498-M501 VanDerWaalsContact O-N 3.17Å; F498-A502 WeakPolarHBondContact O-CB 3.42Å; F498-A502 PolarHBondContact O-N 2.89Å
499	T	81.1	Confident	70.1	Confident	62 Å²	62	77.1 Å²	77.1	38%	0.38	46%	0.455	S	S	.	.	H	α-helix	trans	-60.1	-41.2	177.3	-48.9	0	0	0	0	111.4	W495 A502 S503	W495-T499 PolarHBondContact O-N 3.28Å; W495-T499 PolarHBondContact O-OG1 2.96Å; W495-T499 VanDerWaalsContact O-OG1 3.07Å; T499-A502 PolarHBondContact O-N 3.33Å; T499-S503 VanDerWaalsContact O-CB 3.3Å; T499-S503 WeakPolarHBondContact O-CB 3.34Å; T499-S503 PolarHBondContact O-N 3.49Å; T499-S503 PolarHBondContact O-OG 3.07Å
500	K	77.9	Confident	66.8	Low	94 Å²	94	82.3 Å²	82.3	41%	0.409	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175.6	-79.8	-173.9	176.5	-169.5	0	112.4	Q464 K496 A497 F498 S503 A504	Q464-K500 WeakPolarHBondContact O-CE 3.38Å; Q464-K500 PolarHBondContact O-NZ 2.99Å; K496-K500 WeakPolarHBondContact O-CG 3.44Å; K496-K500 PolarHBondContact O-N 3.17Å; K496-K500 VanDerWaalsContact O-N 3.09Å; A497-K500 PolarHBondContact O-N 2.82Å; F498-K500 VanDerWaalsContact C-N 3.3Å; F498-K500 PolarHBondContact O-N 3.46Å; K500-S503 WeakPolarHBondContact CA-OG 3.37Å; K500-S503 PolarHBondContact O-N 3.1Å; K500-S503 PolarHBondContact O-OG 3.25Å; K500-A504 PolarHBondContact O-N 2.95Å; K500-A504 VanDerWaalsContact O-N 3.12Å
501	M	71.2	Confident	63.5	Low	121 Å²	121	85.9 Å²	85.9	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-40.6	176.3	-70.6	-174.5	-67.7	0	0	112.1	A497 F498 S503 A504	A497-M501 WeakPolarHBondContact O-CG 3.07Å; A497-M501 PolarHBondContact O-N 3.47Å; F498-M501 HydrophobicContact CD1-CE 3.59Å; F498-M501 HydrophobicContact CE1-CE 4.02Å; F498-M501 HydrophobicContact CG-CE 4.25Å; F498-M501 PolarHBondContact O-N 3.38Å; F498-M501 VanDerWaalsContact O-N 3.17Å; M501-S503 VanDerWaalsContact C-N 3.34Å; M501-A504 WeakPolarHBondContact O-CB 3.42Å; M501-A504 PolarHBondContact O-N 2.92Å
502	A	64	Low	60.2	Low	91 Å²	91	91.1 Å²	91.1	75%	0.752	55%	0.552	S	S	*	*	H	α-helix	trans	-68.6	-31.7	176.8	0	0	0	0	0	112.8	F498 T499	F498-A502 WeakPolarHBondContact O-CB 3.42Å; F498-A502 PolarHBondContact O-N 2.89Å; T499-A502 PolarHBondContact O-N 3.33Å
503	S	59.9	Low	56.9	Low	83 Å²	83	97.6 Å²	97.6	58%	0.58	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-4.1	177.3	69.4	0	0	0	0	114.6	T499 K500 M501 P505	T499-S503 VanDerWaalsContact O-CB 3.3Å; T499-S503 WeakPolarHBondContact O-CB 3.34Å; T499-S503 PolarHBondContact O-N 3.49Å; T499-S503 PolarHBondContact O-OG 3.07Å; K500-S503 WeakPolarHBondContact CA-OG 3.37Å; K500-S503 PolarHBondContact O-N 3.1Å; K500-S503 PolarHBondContact O-OG 3.25Å; M501-S503 VanDerWaalsContact C-N 3.34Å; S503-P505 VanDerWaalsContact O-CD 3.32Å; S503-P505 WeakPolarHBondContact O-CD 3.34Å
504	A	38.4	Very low	53.8	Low	64 Å²	64	103.4 Å²	103.4	53%	0.529	62%	0.617	S	S	.	*			trans	-66.4	118.5	179.3	0	0	0	0	0	109.4	K500 M501 A506	K500-A504 PolarHBondContact O-N 2.95Å; K500-A504 VanDerWaalsContact O-N 3.12Å; M501-A504 WeakPolarHBondContact O-CB 3.42Å; M501-A504 PolarHBondContact O-N 2.92Å; A504-A506 PolarHBondContact O-N 2.86Å
505	P	38.2	Very low	50.9	Low	114 Å²	114	105.6 Å²	105.6	74%	0.74	64%	0.638	S	S	*	*			trans	-65.2	134.4	-179.2	-15.3	27.7	0	0	0	110.2	S503 S507	S503-P505 VanDerWaalsContact O-CD 3.32Å; S503-P505 WeakPolarHBondContact O-CD 3.34Å; P505-S507 VanDerWaalsContact C-N 3.32Å; P505-S507 PolarHBondContact O-N 3.46Å
506	A	36.4	Very low	47.7	Very low	106 Å²	106	112.7 Å²	112.7	88%	0.876	68%	0.675	S	S	*	*			trans	-58.1	107.1	144.5	0	0	0	0	0	106	A504 Y508	A504-A506 PolarHBondContact O-N 2.86Å; A506-Y508 PolarHBondContact O-N 3.47Å
507	S	31.5	Very low	44.9	Very low	101 Å²	101	115.1 Å²	115.1	71%	0.706	71%	0.705	S	S	*	*	S	Bend	trans	-48	129.7	-169	-168.3	0	0	0	0	113.4	P505	P505-S507 VanDerWaalsContact C-N 3.32Å; P505-S507 PolarHBondContact O-N 3.46Å
508	Y	27.9	Very low	42.1	Very low	232 Å²	232	120.2 Å²	120.2	91%	0.91	72%	0.724	S	S	*	*				-179.1	132.8	125.5	-115.1	-91.8	0	0	0	111.2	A506	A506-Y508 PolarHBondContact O-N 3.47Å
509	G	27.5	Very low	39.4	Very low	77 Å²	77	121.1 Å²	121.1	79%	0.794	73%	0.734	S	S	*	*			trans	104.3	100	154.3	0	0	0	0	0	117.5
510	S	27	Very low	36.7	Very low	112 Å²	112	122.9 Å²	122.9	78%	0.783	75%	0.749	S	S	*	*			trans	-70.1	135.9	170.9	126.5	0	0	0	0	111.9
511	T	25.8	Very low	34.4	Very low	135 Å²	135	129 Å²	129	83%	0.828	77%	0.77	S	S	*	*			trans	-155.6	125.3	137.3	-24.3	0	0	0	0	111.7
512	T	26.9	Very low	32.3	Very low	131 Å²	131	130.4 Å²	130.4	80%	0.804	78%	0.784	S	S	*	*			trans	-74.1	132.7	176.1	14.2	0	0	0	0	111.7
513	T	26.3	Very low	30.6	Very low	137 Å²	137	133.5 Å²	133.5	84%	0.84	79%	0.785	S	S	*	*			trans	-131.5	124	160.7	51.2	0	0	0	0	110.4
514	K	27.5	Very low	29.3	Very low	199 Å²	199	136.2 Å²	136.2	87%	0.865	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.6	142.4	177.5	-63.5	177	177.1	178	0	109.8
515	P	29.1	Very low	28.9	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.4	125.9	164.5	30	-26.2	0	0	0	110.5
516	M	25.8	Very low	28.3	Very low	186 Å²	186	137.6 Å²	137.6	92%	0.916	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.7	143.8	169.2	-87.3	-124.3	170.2	0	0	111
517	G	29	Very low	28	Very low	66 Å²	66	138 Å²	138	68%	0.68	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-96.2	148.8	169	0	0	0	0	0	113.1
518	L	28.1	Very low	28.1	Very low	155 Å²	155	142.2 Å²	142.2	81%	0.812	81%	0.81	S	S	*	*			trans	-170.9	144.6	155.3	-84.1	121.6	0	0	0	104.1
519	L	26.9	Very low	28.3	Very low	149 Å²	149	140.6 Å²	140.6	78%	0.78	81%	0.808	S	S	*	*			cis	-162.3	167.2	3.1	-119.7	170.2	0	0	0	108.8
520	S	25.6	Very low	28.8	Very low	98 Å²	98	144 Å²	144	69%	0.685	81%	0.813	S	S	*	*			trans	-96.9	160.7	-173.3	49.1	0	0	0	0	114.3
521	R	28.5	Very low	29.6	Very low	224 Å²	224	141.1 Å²	141.1	85%	0.845	79%	0.788	S	S	*	*			trans	76.3	112.5	142.2	-169.6	-177.3	-87.2	171.1	-7.2	119.3
522	V	28	Very low	30.2	Very low	149 Å²	149	144.1 Å²	144.1	90%	0.903	79%	0.792	S	S	*	*			trans	-145.4	140.2	135.4	177.7	0	0	0	0	109
523	M	27.6	Very low	31.1	Very low	157 Å²	157	140.3 Å²	140.3	77%	0.773	78%	0.78	S	S	*	*			trans	-121.2	154.7	-176.3	-113.1	177.7	175	0	0	111.2
524	N	32.7	Very low	32	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	75%	0.746	S	S	*	*			trans	73.9	133.8	155.6	-63.6	-5.5	0	0	0	118.1
525	T	30.1	Very low	32.7	Very low	148 Å²	148	129.5 Å²	129.5	91%	0.908	72%	0.723	S	S	*	*				-169.6	146.3	56.2	-46.5	0	0	0	0	111.1
526	G	26.5	Very low	33.5	Very low	60 Å²	60	130.5 Å²	130.5	62%	0.619	72%	0.721	S	S	*	*			trans	137.8	106.5	146.8	0	0	0	0	0	120.4
527	S	30.3	Very low	34.8	Very low	115 Å²	115	123.1 Å²	123.1	80%	0.804	69%	0.685	S	S	*	*			trans	84.9	127.2	148.1	75.5	0	0	0	0	121.4
528	Q	33.2	Very low	35.9	Very low	189 Å²	189	125.6 Å²	125.6	88%	0.883	69%	0.687	S	S	*	*			trans	-83.2	116.2	-178.1	-72.5	171.2	-38.5	0	0	110.7
529	F	32.3	Very low	37.3	Very low	197 Å²	197	120.9 Å²	120.9	86%	0.864	66%	0.662	S	S	*	*	S	Bend	trans	-152.9	141	141.2	-106.5	-85.5	0	0	0	106.3	M531	F529-M531 PolarHBondContact O-N 3.15Å
530	V	38.1	Very low	38.9	Very low	148 Å²	148	119.8 Å²	119.8	90%	0.897	65%	0.651	S	S	*	*	S	Bend	trans	-41.5	99.7	-165.8	-177.1	0	0	0	0	114.3
531	M	42.3	Very low	40.6	Very low	52 Å²	52	123.9 Å²	123.9	26%	0.256	66%	0.659	S	S	.	*			trans	-156.3	41.9	175.7	-112.2	179.7	107.7	0	0	112.8	P334 F529 G533 V534 K535	P334-M531 HydrophobicContact CB-CE 3.92Å; P334-M531 HydrophobicContact CG-CE 4.49Å; F529-M531 PolarHBondContact O-N 3.15Å; M531-G533 VanDerWaalsContact C-N 3.3Å; M531-G533 PolarHBondContact O-N 2.95Å; M531-V534 HydrophobicContact CE-CB 4.16Å; M531-V534 HydrophobicContact CE-CG1 3.9Å; M531-K535 HydrophobicContact CB-CD 4.5Å; M531-K535 HydrophobicContact CB-CG 4.41Å
532	E	38.4	Very low	42.9	Very low	198 Å²	198	118 Å²	118	93%	0.925	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-8.2	-165.7	-151.8	164.4	-173	0	0	115.6
533	G	46.5	Very low	45.7	Very low	52 Å²	52	114.3 Å²	114.3	54%	0.536	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.5	-18.1	178.1	0	0	0	0	0	116.3	M531	M531-G533 VanDerWaalsContact C-N 3.3Å; M531-G533 PolarHBondContact O-N 2.95Å
534	V	46.2	Very low	48.7	Very low	22 Å²	22	108.1 Å²	108.1	13%	0.133	59%	0.586	C	S	.	*	T	Hydrogen-bonded Turn	trans	-112.6	-21.2	-160.8	177.5	0	0	0	0	112.6	W274 P334 M531 N536	W274-V534 HydrophobicContact CZ2-CG1 3.51Å; P334-V534 HydrophobicContact CG-CG1 3.71Å; M531-V534 HydrophobicContact CE-CB 4.16Å; M531-V534 HydrophobicContact CE-CG1 3.9Å; V534-N536 VanDerWaalsContact C-N 3.33Å; V534-N536 PolarHBondContact O-N 2.94Å
535	K	40.7	Very low	51.6	Low	87 Å²	87	102.5 Å²	102.5	38%	0.378	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.8	-15.2	-174.2	-76.3	-169	169.9	-158.2	0	115.4	E338 M531	E338-K535 WeakPolarHBondContact OE1-CE 3.47Å; E338-K535 IonicContact OE1-NZ 2.73Å; E338-K535 PolarHBondContact OE1-NZ 2.68Å; M531-K535 HydrophobicContact CB-CD 4.5Å; M531-K535 HydrophobicContact CB-CG 4.41Å
536	N	47.7	Very low	54.7	Low	149 Å²	149	95.5 Å²	95.5	80%	0.797	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.7	-177.3	-71	-25.8	0	0	0	114.4	V534 V538	V534-N536 VanDerWaalsContact C-N 3.33Å; V534-N536 PolarHBondContact O-N 2.94Å; N536-V538 VanDerWaalsContact C-N 3.3Å; N536-V538 PolarHBondContact O-N 2.92Å
537	L	52.4	Low	57.9	Low	31 Å²	31	92.7 Å²	92.7	16%	0.162	49%	0.486	C	S	.	.			trans	-83.2	75	178	-64.1	173.1	0	0	0	110.1	W274 D418 F421 E422 L539	W274-L537 HydrophobicContact CH2-CD1 4.25Å; W274-L537 HydrophobicContact CZ2-CD1 3.69Å; D418-L537 HydrophobicContact CB-CD1 4.05Å; F421-L537 HydrophobicContact CD1-CB 4.39Å; F421-L537 HydrophobicContact CD1-CD1 3.96Å; F421-L537 HydrophobicContact CD1-CD2 4.03Å; F421-L537 HydrophobicContact CD1-CG 4.34Å; F421-L537 HydrophobicContact CE1-CB 4.14Å; F421-L537 HydrophobicContact CE1-CD2 4.29Å; E422-L537 HydrophobicContact CB-CD2 4.15Å; E422-L537 HydrophobicContact CG-CD2 4.36Å; L537-L539 PolarHBondContact O-N 2.89Å
538	V	51.1	Low	60.9	Low	118 Å²	118	92.3 Å²	92.3	72%	0.715	47%	0.467	S	S	*	.			trans	-74.5	114.1	171.8	179.9	0	0	0	0	108.4	N536 K540	N536-V538 VanDerWaalsContact C-N 3.3Å; N536-V538 PolarHBondContact O-N 2.92Å; V538-K540 PolarHBondContact O-N 3.34Å; V538-K540 VanDerWaalsContact O-N 3.11Å
539	L	57.9	Low	63.9	Low	57 Å²	57	83.4 Å²	83.4	30%	0.298	43%	0.425	S	S	.	.			trans	-57.6	114.7	169.9	-76.5	163.9	0	0	0	108.9	W274 T275 P332 F421 L537 Q541	W274-L539 HydrophobicContact CB-CD1 4.34Å; W274-L539 HydrophobicContact CB-CD2 4.24Å; W274-L539 HydrophobicContact CB-CG 4.41Å; T275-L539 HydrophobicContact CG2-CD1 3.8Å; P332-L539 HydrophobicContact CB-CD1 4.42Å; P332-L539 HydrophobicContact CG-CD1 4.19Å; F421-L539 HydrophobicContact CE2-CD2 3.98Å; F421-L539 HydrophobicContact CZ-CD2 3.51Å; F421-L539 HydrophobicContact CZ-CG 4.4Å; L537-L539 PolarHBondContact O-N 2.89Å; L539-Q541 PolarHBondContact O-N 2.92Å
540	K	60.3	Low	66.9	Low	126 Å²	126	74 Å²	74	55%	0.548	38%	0.384	S	S	.	.			trans	-71.9	120.1	170.5	-72.1	178	-175.2	166.8	0	107.5	V538 Q542	V538-K540 PolarHBondContact O-N 3.34Å; V538-K540 VanDerWaalsContact O-N 3.11Å; K540-Q542 VanDerWaalsContact C-N 3.35Å; K540-Q542 HydrophobicContact CB-CG 4.4Å; K540-Q542 PolarHBondContact O-N 3.42Å
541	Q	61.4	Low	69.5	Low	183 Å²	183	68 Å²	68	86%	0.855	35%	0.347	S	S	*	.			trans	-66.8	94.2	173.3	-71.3	-178.3	-12	0	0	109.6	L539	L539-Q541 PolarHBondContact O-N 2.92Å
542	Q	77.6	Confident	71.9	Confident	102 Å²	102	66.2 Å²	66.2	48%	0.477	34%	0.338	S	S	.	.			trans	-115.1	136.3	170.3	-63.1	-165	8.4	0	0	109.6	K540 L544 N605	K540-Q542 VanDerWaalsContact C-N 3.35Å; K540-Q542 HydrophobicContact CB-CG 4.4Å; K540-Q542 PolarHBondContact O-N 3.42Å; Q542-L544 PolarHBondContact O-N 2.93Å; Q542-N605 PolarHBondContact O-ND2 3.17Å
543	N	86.4	Confident	74.5	Confident	71 Å²	71	57.2 Å²	57.2	38%	0.38	30%	0.296	S	S	.	.			trans	-72.2	119.2	173.6	-69.4	-14	0	0	0	109	T547 R548	N543-T547 HydrophobicContact CB-CG2 3.95Å; N543-R548 HydrophobicContact CB-CG 3.65Å; N543-R548 WeakPolarHBondContact O-CD 3.13Å; N543-R548 WeakPolarHBondContact O-CG 3.45Å
544	L	91.4	Very high	76.7	Confident	26 Å²	26	54.8 Å²	54.8	14%	0.136	27%	0.271	C	S	.	.			trans	-66.9	161.7	174.1	-63.9	178.3	0	0	0	110.8	T268 Q542 V546 T547 R548 I601 N605	T268-L544 HydrophobicContact CG2-CD1 3.82Å; Q542-L544 PolarHBondContact O-N 2.93Å; L544-V546 VanDerWaalsContact C-N 3.3Å; L544-V546 PolarHBondContact O-N 2.78Å; L544-T547 WeakPolarHBondContact O-CB 3.25Å; L544-T547 PolarHBondContact O-N 2.71Å; L544-R548 WeakPolarHBondContact O-CG 3.39Å; L544-R548 PolarHBondContact O-N 3.32Å; L544-I601 HydrophobicContact CD1-CG2 4.09Å; L544-N605 WeakPolarHBondContact CB-OD1 3.42Å; L544-N605 HydrophobicContact CD1-CB 3.68Å; L544-N605 HydrophobicContact CG-CB 4.07Å; L544-N605 PolarHBondContact N-OD1 2.71Å
545	P	92.5	Very high	78.8	Confident	22 Å²	22	56 Å²	56	14%	0.143	28%	0.275	C	S	.	.	H	α-helix	trans	-47.4	-48.6	-178.2	-30.7	37.2	0	0	0	114	D265 T547 R548 I549	D265-P545 HydrophobicContact CB-CB 4.14Å; D265-P545 HydrophobicContact CB-CG 3.97Å; D265-P545 VanDerWaalsContact OD2-CD 3.32Å; D265-P545 WeakPolarHBondContact OD2-CD 3.47Å; D265-P545 WeakPolarHBondContact OD2-CG 3.41Å; P545-T547 PolarHBondContact O-N 3.2Å; P545-R548 PolarHBondContact O-N 2.98Å; P545-I549 WeakPolarHBondContact O-CG1 3.33Å; P545-I549 PolarHBondContact O-N 2.83Å
546	V	94.5	Very high	81	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-49.4	176.2	170.4	0	0	0	0	112.1	V260 I264 L544 R548 I549 L550 V592 E602 L606	V260-V546 HydrophobicContact CG2-CG2 4.43Å; I264-V546 HydrophobicContact CD1-CG2 3.66Å; L544-V546 VanDerWaalsContact C-N 3.3Å; L544-V546 PolarHBondContact O-N 2.78Å; V546-R548 VanDerWaalsContact C-N 3.35Å; V546-R548 PolarHBondContact O-N 2.81Å; V546-I549 PolarHBondContact O-N 3.38Å; V546-L550 WeakPolarHBondContact O-CB 3.32Å; V546-L550 PolarHBondContact O-N 3.26Å; V546-V592 HydrophobicContact CG1-CG1 3.7Å; V546-E602 WeakPolarHBondContact CG2-OE1 3.39Å; V546-L606 HydrophobicContact CG1-CD1 4.38Å
547	T	94.9	Very high	82.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-38.2	179.2	-54.8	0	0	0	0	112.3	N543 L544 P545 L550 D551 N605 L606 Y609	N543-T547 HydrophobicContact CB-CG2 3.95Å; L544-T547 WeakPolarHBondContact O-CB 3.25Å; L544-T547 PolarHBondContact O-N 2.71Å; P545-T547 PolarHBondContact O-N 3.2Å; T547-L550 PolarHBondContact O-N 3.36Å; T547-D551 WeakPolarHBondContact O-CB 3.49Å; T547-D551 PolarHBondContact O-N 2.99Å; T547-N605 VanDerWaalsContact CB-OD1 3.3Å; T547-N605 WeakPolarHBondContact CB-OD1 3.48Å; T547-N605 PolarHBondContact OG1-OD1 3.44Å; T547-L606 HydrophobicContact CG2-CD2 4.15Å; T547-L606 WeakPolarHBondContact OG1-CD2 3.42Å; T547-Y609 HydrophobicContact CG2-CD1 3.94Å; T547-Y609 HydrophobicContact CG2-CD2 3.89Å; T547-Y609 HydrophobicContact CG2-CG 3.56Å
548	R	93.9	Very high	84.3	Confident	107 Å²	107	54.4 Å²	54.4	40%	0.404	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-45.3	177.1	-64.2	-179.6	-52.2	-174.1	7.4	111.9	N543 L544 P545 V546 L550 D551 N552	N543-R548 HydrophobicContact CB-CG 3.65Å; N543-R548 WeakPolarHBondContact O-CD 3.13Å; N543-R548 WeakPolarHBondContact O-CG 3.45Å; L544-R548 WeakPolarHBondContact O-CG 3.39Å; L544-R548 PolarHBondContact O-N 3.32Å; P545-R548 PolarHBondContact O-N 2.98Å; V546-R548 VanDerWaalsContact C-N 3.35Å; V546-R548 PolarHBondContact O-N 2.81Å; R548-L550 VanDerWaalsContact C-N 3.29Å; R548-L550 PolarHBondContact O-N 3.03Å; R548-D551 PolarHBondContact O-N 3.02Å; R548-N552 VanDerWaalsContact O-CG 3.26Å; R548-N552 PolarHBondContact O-N 2.65Å; R548-N552 PolarHBondContact O-ND2 2.94Å
549	I	94.8	Very high	86	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-46.4	175.9	-71.2	161.8	0	0	0	109.6	V258 V260 I264 P545 V546 N552 L553 E561 T562 Y565	V258-I549 HydrophobicContact CG1-CG2 4.03Å; V260-I549 HydrophobicContact CG1-CG2 4.19Å; I264-I549 HydrophobicContact CD1-CD1 3.63Å; P545-I549 WeakPolarHBondContact O-CG1 3.33Å; P545-I549 PolarHBondContact O-N 2.83Å; V546-I549 PolarHBondContact O-N 3.38Å; I549-N552 PolarHBondContact O-N 2.86Å; I549-L553 HydrophobicContact CG2-CD1 3.87Å; I549-L553 WeakPolarHBondContact O-CG 3.33Å; I549-L553 PolarHBondContact O-N 3.33Å; I549-E561 HydrophobicContact CG1-CG 4.33Å; I549-T562 HydrophobicContact CB-CG2 4.38Å; I549-T562 HydrophobicContact CG1-CG2 4.32Å; I549-T562 HydrophobicContact CG2-CG2 4.07Å; I549-Y565 HydrophobicContact CG2-CE1 3.87Å; I549-Y565 WeakPolarHBondContact CG2-OH 3.49Å
550	L	95.3	Very high	87.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-49.3	176.3	176.7	63.5	0	0	0	112.1	V258 V546 T547 R548 N552 L553 M554 A590 V592 L606 I618	V258-L550 HydrophobicContact CG2-CD1 3.91Å; V546-L550 WeakPolarHBondContact O-CB 3.32Å; V546-L550 PolarHBondContact O-N 3.26Å; T547-L550 PolarHBondContact O-N 3.36Å; R548-L550 VanDerWaalsContact C-N 3.29Å; R548-L550 PolarHBondContact O-N 3.03Å; L550-N552 VanDerWaalsContact C-N 3.3Å; L550-N552 PolarHBondContact O-N 3.47Å; L550-L553 PolarHBondContact O-N 3.19Å; L550-M554 HydrophobicContact CD1-CB 4.35Å; L550-M554 WeakPolarHBondContact O-CB 3.37Å; L550-M554 PolarHBondContact O-N 3.35Å; L550-A590 HydrophobicContact CD1-CB 3.61Å; L550-V592 HydrophobicContact CB-CG2 3.86Å; L550-V592 HydrophobicContact CD1-CG2 3.6Å; L550-V592 HydrophobicContact CD2-CG2 3.59Å; L550-V592 HydrophobicContact CG-CG2 3.85Å; L550-L606 HydrophobicContact CD2-CD2 3.53Å; L550-I618 HydrophobicContact CD2-CB 4.49Å; L550-I618 HydrophobicContact CD2-CD1 3.57Å; L550-I618 HydrophobicContact CD2-CG1 3.97Å; L550-I618 HydrophobicContact CD2-CG2 3.69Å
551	D	93.8	Very high	88.3	Confident	22 Å²	22	51.5 Å²	51.5	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-43.9	178.1	177.8	57.6	0	0	0	111.6	T547 R548 E555 K557 Y609 K613	T547-D551 WeakPolarHBondContact O-CB 3.49Å; T547-D551 PolarHBondContact O-N 2.99Å; R548-D551 PolarHBondContact O-N 3.02Å; D551-E555 VanDerWaalsContact O-CB 3.27Å; D551-E555 WeakPolarHBondContact O-CB 3.34Å; D551-E555 WeakPolarHBondContact O-CG 3.15Å; D551-E555 PolarHBondContact O-N 3.13Å; D551-E555 WeakPolarHBondContact OD1-CG 3.23Å; D551-K557 IonicContact OD1-NZ 3.72Å; D551-K557 PolarHBondContact OD1-NZ 3.03Å; D551-K557 IonicContact OD2-NZ 3.82Å; D551-K557 PolarHBondContact OD2-NZ 3.34Å; D551-Y609 VanDerWaalsContact CA-OH 3.29Å; D551-Y609 WeakPolarHBondContact CA-OH 3.4Å; D551-Y609 HydrophobicContact CB-CE2 3.95Å; D551-Y609 WeakPolarHBondContact CB-OH 3.02Å; D551-Y609 PolarHBondContact OD1-OH 2.87Å; D551-K613 IonicContact OD1-NZ 2.64Å; D551-K613 PolarHBondContact OD1-NZ 3.37Å
552	N	93	Very high	89.5	Confident	15 Å²	15	43 Å²	43	8%	0.08	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-48.2	178.4	-69	-32.1	0	0	0	111.9	R548 I549 L550 M556 K557 N559 T562	R548-N552 VanDerWaalsContact O-CG 3.26Å; R548-N552 PolarHBondContact O-N 2.65Å; R548-N552 PolarHBondContact O-ND2 2.94Å; I549-N552 PolarHBondContact O-N 2.86Å; L550-N552 VanDerWaalsContact C-N 3.3Å; L550-N552 PolarHBondContact O-N 3.47Å; N552-M556 CarbonylContact O-C 3.59Å; N552-M556 WeakPolarHBondContact O-CA 3.39Å; N552-M556 PolarHBondContact O-N 3.24Å; N552-K557 PolarHBondContact O-N 2.93Å; N552-N559 HydrophobicContact CB-CB 4.37Å; N552-N559 PolarHBondContact ND2-ND2 3.33Å; N552-T562 HydrophobicContact CB-CG2 4Å
553	L	93.1	Very high	89.9	Confident	9 Å²	9	42.3 Å²	42.3	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-73.4	-39.7	-177.2	-67.7	173	0	0	0	112.8	R210 L256 V258 I549 L550 E555 M556 T562 Y565	R210-L553 HydrophobicContact CB-CD1 4.13Å; L256-L553 HydrophobicContact CD2-CB 3.99Å; V258-L553 HydrophobicContact CB-CD1 4.35Å; V258-L553 HydrophobicContact CG1-CD1 3.56Å; V258-L553 HydrophobicContact CG2-CB 4.36Å; V258-L553 HydrophobicContact CG2-CD1 3.85Å; I549-L553 HydrophobicContact CG2-CD1 3.87Å; I549-L553 WeakPolarHBondContact O-CG 3.33Å; I549-L553 PolarHBondContact O-N 3.33Å; L550-L553 PolarHBondContact O-N 3.19Å; L553-E555 VanDerWaalsContact C-N 3.34Å; L553-M556 PolarHBondContact O-N 3.44Å; L553-T562 HydrophobicContact CD2-CG2 4.41Å; L553-T562 HydrophobicContact CG-CG2 4.17Å; L553-Y565 HydrophobicContact CD1-CD1 3.65Å; L553-Y565 HydrophobicContact CD1-CE1 3.81Å; L553-Y565 HydrophobicContact CD2-CD1 4.38Å
554	M	92.1	Very high	89.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-36.2	179.8	-168.5	-173.8	-168.6	0	0	111.5	L256 L550 P586 F587 Q588 A590 K616 I618	L256-M554 HydrophobicContact CD2-CB 4.39Å; L550-M554 HydrophobicContact CD1-CB 4.35Å; L550-M554 WeakPolarHBondContact O-CB 3.37Å; L550-M554 PolarHBondContact O-N 3.35Å; M554-P586 CarbonylContact O-C 3.56Å; M554-P586 WeakPolarHBondContact O-CA 3.49Å; M554-F587 VanDerWaalsContact CE-O 3.26Å; M554-F587 WeakPolarHBondContact CE-O 3.42Å; M554-F587 HydrophobicContact CG-CB 4.03Å; M554-F587 WeakPolarHBondContact CG-O 3.36Å; M554-F587 PolarHBondContact O-N 3.05Å; M554-Q588 VanDerWaalsContact CE-O 3.23Å; M554-Q588 WeakPolarHBondContact CE-O 3.2Å; M554-A590 HydrophobicContact CE-CB 4.27Å; M554-A590 HydrophobicContact CG-CB 4.34Å; M554-A590 HydrophobicContact SD-CB 4.29Å; M554-K616 HydrophobicContact CE-CB 3.74Å; M554-K616 HydrophobicContact CE-CD 3.67Å; M554-K616 HydrophobicContact CE-CG 3.79Å; M554-K616 HydrophobicContact SD-CD 4.1Å; M554-I618 HydrophobicContact CE-CG1 4.43Å; M554-I618 HydrophobicContact SD-CD1 4.35Å; M554-I618 HydrophobicContact SD-CG1 4.39Å
555	E	90.5	Very high	89.9	Confident	48 Å²	48	42 Å²	42	22%	0.224	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.2	176.8	-55.7	-65	175.5	0	0	113.6	D551 L553 K557 K613 K616	D551-E555 VanDerWaalsContact O-CB 3.27Å; D551-E555 WeakPolarHBondContact O-CB 3.34Å; D551-E555 WeakPolarHBondContact O-CG 3.15Å; D551-E555 PolarHBondContact O-N 3.13Å; D551-E555 WeakPolarHBondContact OD1-CG 3.23Å; L553-E555 VanDerWaalsContact C-N 3.34Å; E555-K557 HydrophobicContact CB-CD 3.86Å; E555-K557 HydrophobicContact CB-CG 3.83Å; E555-K557 HydrophobicContact CG-CD 4.35Å; E555-K557 PolarHBondContact O-N 3.32Å; E555-K613 IonicContact OE1-NZ 3.67Å; E555-K613 PolarHBondContact OE1-NZ 3.25Å; E555-K616 IonicContact OE1-NZ 3.69Å; E555-K616 PolarHBondContact OE1-NZ 3.1Å; E555-K616 IonicContact OE2-NZ 3.4Å; E555-K616 PolarHBondContact OE2-NZ 3.26Å
556	M	86.3	Confident	89.9	Confident	47 Å²	47	43.3 Å²	43.3	23%	0.232	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	33.8	-174.7	-59.7	-70.7	-159.6	0	0	113.8	N552 L553 K584 F587	N552-M556 CarbonylContact O-C 3.59Å; N552-M556 WeakPolarHBondContact O-CA 3.39Å; N552-M556 PolarHBondContact O-N 3.24Å; L553-M556 PolarHBondContact O-N 3.44Å; M556-K584 HydrophobicContact CB-CB 4.18Å; M556-F587 HydrophobicContact CE-CD2 3.95Å; M556-F587 HydrophobicContact CE-CE2 3.11Å; M556-F587 HydrophobicContact CE-CZ 3.56Å; M556-F587 HydrophobicContact SD-CE2 4.04Å
557	K	87.2	Confident	89.8	Confident	94 Å²	94	44.2 Å²	44.2	41%	0.409	23%	0.227	S	C	.	.			trans	-72.3	136.6	175.2	-68.3	162.2	176.7	166.2	0	109.1	D551 N552 E555 N559	D551-K557 IonicContact OD1-NZ 3.72Å; D551-K557 PolarHBondContact OD1-NZ 3.03Å; D551-K557 IonicContact OD2-NZ 3.82Å; D551-K557 PolarHBondContact OD2-NZ 3.34Å; N552-K557 PolarHBondContact O-N 2.93Å; E555-K557 HydrophobicContact CB-CD 3.86Å; E555-K557 HydrophobicContact CB-CG 3.83Å; E555-K557 HydrophobicContact CG-CD 4.35Å; E555-K557 PolarHBondContact O-N 3.32Å; K557-N559 PolarHBondContact O-N 3.42Å
558	S	83	Confident	89.7	Confident	93 Å²	93	44.5 Å²	44.5	65%	0.65	23%	0.228	S	C	*	.			trans	-74.3	127.1	168.9	179.9	0	0	0	0	108.5	D563	S558-D563 WeakPolarHBondContact CA-OD1 3.24Å; S558-D563 PolarHBondContact OG-OD1 3.01Å; S558-D563 PolarHBondContact OG-OD2 2.99Å
559	N	85.6	Confident	89.6	Confident	45 Å²	45	40.1 Å²	40.1	24%	0.241	21%	0.213	C	C	.	.			trans	-151.4	130.2	179	-172.4	-46.4	0	0	0	107.9	N552 K557 E561 T562 D563	N552-N559 HydrophobicContact CB-CB 4.37Å; N552-N559 PolarHBondContact ND2-ND2 3.33Å; K557-N559 PolarHBondContact O-N 3.42Å; N559-E561 PolarHBondContact O-N 2.78Å; N559-E561 WeakPolarHBondContact OD1-CB 3.37Å; N559-E561 PolarHBondContact OD1-N 3.01Å; N559-T562 PolarHBondContact O-N 2.88Å; N559-T562 PolarHBondContact O-OG1 3.33Å; N559-D563 PolarHBondContact N-OD1 3.28Å; N559-D563 WeakPolarHBondContact O-CB 3.38Å; N559-D563 PolarHBondContact O-N 3.35Å
560	P	84.3	Confident	89.3	Confident	119 Å²	119	40.1 Å²	40.1	77%	0.773	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-28.7	178.7	-27.8	34.7	0	0	0	114.5	T562	P560-T562 VanDerWaalsContact C-N 3.31Å; P560-T562 PolarHBondContact O-N 2.79Å
561	E	82.1	Confident	88.9	Confident	76 Å²	76	45.8 Å²	45.8	36%	0.355	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.5	177.7	-172	176.4	-150.8	0	0	113.3	I549 N559 Y565	I549-E561 HydrophobicContact CG1-CG 4.33Å; N559-E561 PolarHBondContact O-N 2.78Å; N559-E561 WeakPolarHBondContact OD1-CB 3.37Å; N559-E561 PolarHBondContact OD1-N 3.01Å; E561-Y565 WeakPolarHBondContact O-CE2 3.43Å
562	T	87.6	Confident	88.4	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-6.6	-173.1	59.3	0	0	0	0	114.9	I549 N552 L553 N559 P560 D564 Y565	I549-T562 HydrophobicContact CB-CG2 4.38Å; I549-T562 HydrophobicContact CG1-CG2 4.32Å; I549-T562 HydrophobicContact CG2-CG2 4.07Å; N552-T562 HydrophobicContact CB-CG2 4Å; L553-T562 HydrophobicContact CD2-CG2 4.41Å; L553-T562 HydrophobicContact CG-CG2 4.17Å; N559-T562 PolarHBondContact O-N 2.88Å; N559-T562 PolarHBondContact O-OG1 3.33Å; P560-T562 VanDerWaalsContact C-N 3.31Å; P560-T562 PolarHBondContact O-N 2.79Å; T562-D564 VanDerWaalsContact C-N 3.26Å; T562-D564 PolarHBondContact O-N 2.93Å; T562-Y565 HydrophobicContact CG2-CE2 4.31Å; T562-Y565 WeakPolarHBondContact O-CB 3.5Å; T562-Y565 PolarHBondContact O-N 2.73Å
563	D	85	Confident	87.2	Confident	88 Å²	88	52 Å²	52	47%	0.471	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28	-176.7	-77.5	-15.1	0	0	0	112.3	S558 N559	S558-D563 WeakPolarHBondContact CA-OD1 3.24Å; S558-D563 PolarHBondContact OG-OD1 3.01Å; S558-D563 PolarHBondContact OG-OD2 2.99Å; N559-D563 PolarHBondContact N-OD1 3.28Å; N559-D563 WeakPolarHBondContact O-CB 3.38Å; N559-D563 PolarHBondContact O-N 3.35Å
564	D	85.9	Confident	85.7	Confident	79 Å²	79	63.6 Å²	63.6	42%	0.422	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.7	-179.9	74.4	-30.2	0	0	0	114.2	R213 T562 R566	R213-D564 PolarHBondContact NE-O 2.85Å; T562-D564 VanDerWaalsContact C-N 3.26Å; T562-D564 PolarHBondContact O-N 2.93Å; D564-R566 PolarHBondContact O-N 2.95Å
565	Y	92.3	Very high	83.9	Confident	13 Å²	13	65.2 Å²	65.2	5%	0.051	33%	0.328	C	S	.	.			trans	-56.9	136.7	-179.5	-86.5	-133.5	0	0	0	110.3	R210 C211 V258 I549 L553 E561 T562	R210-Y565 HydrophobicContact CB-CD1 4.41Å; R210-Y565 VanDerWaalsContact CZ-O 3.23Å; R210-Y565 PolarHBondContact NH1-O 3.4Å; R210-Y565 PolarHBondContact NH2-O 3.2Å; R210-Y565 VanDerWaalsContact NH2-O 3.15Å; C211-Y565 CarbonylContact O-C 3.21Å; C211-Y565 WeakPolarHBondContact O-CA 3.49Å; C211-Y565 WeakPolarHBondContact O-CB 3.39Å; V258-Y565 HydrophobicContact CG1-CE1 4.46Å; I549-Y565 HydrophobicContact CG2-CE1 3.87Å; I549-Y565 WeakPolarHBondContact CG2-OH 3.49Å; L553-Y565 HydrophobicContact CD1-CD1 3.65Å; L553-Y565 HydrophobicContact CD1-CE1 3.81Å; L553-Y565 HydrophobicContact CD2-CD1 4.38Å; E561-Y565 WeakPolarHBondContact O-CE2 3.43Å; T562-Y565 HydrophobicContact CG2-CE2 4.31Å; T562-Y565 WeakPolarHBondContact O-CB 3.5Å; T562-Y565 PolarHBondContact O-N 2.73Å
566	R	92.9	Very high	82.2	Confident	48 Å²	48	70.1 Å²	70.1	18%	0.181	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	154	177.5	-65.1	-165.6	65.6	-172.5	-4	110.9	R210 C211 R213 E218 D564 F568	R210-R566 WeakPolarHBondContact CA-O 3.23Å; R210-R566 WeakPolarHBondContact CD-O 3.34Å; R210-R566 PolarHBondContact NH1-O 2.84Å; C211-R566 PolarHBondContact O-N 3.32Å; R213-R566 HydrophobicContact CG-CG 3.78Å; E218-R566 WeakPolarHBondContact OE1-CD 3.29Å; E218-R566 IonicContact OE1-CZ 3.66Å; E218-R566 IonicContact OE1-NE 3.11Å; E218-R566 IonicContact OE1-NH1 2.7Å; E218-R566 PolarHBondContact OE1-NH1 2.79Å; D564-R566 PolarHBondContact O-N 2.95Å; R566-F568 HydrophobicContact CB-CD2 4.37Å; R566-F568 HydrophobicContact CB-CE2 3.59Å; R566-F568 HydrophobicContact CB-CZ 4.04Å; R566-F568 VanDerWaalsContact CZ-CZ 3.42Å
567	Y	92.8	Very high	80.6	Confident	21 Å²	21	72.9 Å²	72.9	8%	0.082	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.7	178.4	-175.2	-88.3	0	0	0	108.7	I208 D569 V580 P581	I208-Y567 HydrophobicContact CG2-CD2 4.07Å; I208-Y567 HydrophobicContact CG2-CE2 3.38Å; Y567-D569 HydrophobicContact CE1-CB 3.74Å; Y567-V580 HydrophobicContact CD2-CB 4.33Å; Y567-V580 HydrophobicContact CD2-CG1 4.31Å; Y567-V580 HydrophobicContact CD2-CG2 3.88Å; Y567-V580 HydrophobicContact CG-CG2 4.03Å; Y567-P581 HydrophobicContact CE1-CG 4.45Å; Y567-P581 VanDerWaalsContact CZ-CD 3.43Å
568	F	92.4	Very high	79	Confident	6 Å²	6	72 Å²	72	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.5	171.2	-50.3	-97.9	0	0	0	110.4	I209 A221 V222 D225 R566	I209-F568 HydrophobicContact CB-CB 4.11Å; I209-F568 HydrophobicContact CB-CD2 4.27Å; I209-F568 HydrophobicContact CG2-CD2 4.36Å; I209-F568 PolarHBondContact N-O 3.16Å; I209-F568 PolarHBondContact O-N 2.93Å; A221-F568 HydrophobicContact CB-CD2 4.08Å; A221-F568 HydrophobicContact CB-CE2 3.64Å; A221-F568 HydrophobicContact CB-CZ 4.21Å; V222-F568 HydrophobicContact CG2-CE1 3.86Å; V222-F568 HydrophobicContact CG2-CZ 3.73Å; D225-F568 HydrophobicContact CB-CB 4.06Å; D225-F568 HydrophobicContact CB-CD1 4.15Å; D225-F568 HydrophobicContact CB-CG 4.3Å; R566-F568 HydrophobicContact CB-CD2 4.37Å; R566-F568 HydrophobicContact CB-CE2 3.59Å; R566-F568 HydrophobicContact CB-CZ 4.04Å; R566-F568 VanDerWaalsContact CZ-CZ 3.42Å
569	D	90.8	Very high	78	Confident	16 Å²	16	71.5 Å²	71.5	9%	0.086	37%	0.374	C	S	.	.			trans	-125.3	95.8	175	-172.9	-22.8	0	0	0	110.5	R229 R254 Y567 K571 M572	R229-D569 VanDerWaalsContact CZ-O 3.26Å; R229-D569 PolarHBondContact NH1-O 3.48Å; R229-D569 PolarHBondContact NH2-O 3.05Å; R254-D569 IonicContact CZ-OD1 2.67Å; R254-D569 IonicContact CZ-OD2 2.74Å; R254-D569 IonicContact NH1-OD1 3.54Å; R254-D569 PolarHBondContact NH1-OD1 3.36Å; R254-D569 IonicContact NH1-OD2 3.49Å; R254-D569 PolarHBondContact NH1-OD2 2.83Å; R254-D569 IonicContact NH2-OD1 2.56Å; R254-D569 PolarHBondContact NH2-OD1 3.15Å; Y567-D569 HydrophobicContact CE1-CB 3.74Å; D569-K571 PolarHBondContact O-N 2.93Å; D569-K571 VanDerWaalsContact O-N 3.17Å; D569-K571 PolarHBondContact OD1-N 3.03Å; D569-M572 HydrophobicContact CB-CB 4.08Å; D569-M572 HydrophobicContact CB-CG 3.96Å; D569-M572 HydrophobicContact CB-SD 4Å; D569-M572 PolarHBondContact O-N 3.43Å; D569-M572 PolarHBondContact OD1-N 3.38Å; D569-M572 WeakPolarHBondContact OD2-CG 3.48Å
570	P	90.2	Very high	77	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.3	-178.8	-24.4	30.7	0	0	0	114.8	V206 P207 I209 D225 L228 R229 L232	V206-P570 HydrophobicContact CG1-CB 3.76Å; V206-P570 HydrophobicContact CG1-CG 4.11Å; P207-P570 WeakPolarHBondContact O-CD 3.35Å; I209-P570 HydrophobicContact CD1-CG 4.2Å; D225-P570 WeakPolarHBondContact OD1-CD 3.36Å; D225-P570 WeakPolarHBondContact OD1-CG 3.44Å; L228-P570 HydrophobicContact CB-CB 3.74Å; L228-P570 HydrophobicContact CB-CG 4.12Å; L228-P570 HydrophobicContact CD1-CB 4.29Å; L228-P570 HydrophobicContact CD1-CG 3.8Å; R229-P570 HydrophobicContact CG-CB 4.25Å; R229-P570 WeakPolarHBondContact CG-O 3.39Å; L232-P570 HydrophobicContact CD1-CB 4.36Å
571	K	86.4	Confident	76.2	Confident	119 Å²	119	69.3 Å²	69.3	52%	0.517	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.5	177	-69.3	-163.7	178.8	-172.4	0	112.4	V206 L232 D569 L573	V206-K571 HydrophobicContact CB-CG 4.3Å; V206-K571 HydrophobicContact CG1-CG 4.04Å; L232-K571 HydrophobicContact CD1-CG 4.2Å; D569-K571 PolarHBondContact O-N 2.93Å; D569-K571 VanDerWaalsContact O-N 3.17Å; D569-K571 PolarHBondContact OD1-N 3.03Å; K571-L573 PolarHBondContact O-N 2.88Å
572	M	83.8	Confident	75.2	Confident	88 Å²	88	77.5 Å²	77.5	43%	0.433	39%	0.389	S	S	.	.			trans	-80	81.2	175.9	-72.8	-174.9	70.3	0	0	111	R229 D569 R574 G575	R229-M572 PolarHBondContact NH1-O 3.14Å; D569-M572 HydrophobicContact CB-CB 4.08Å; D569-M572 HydrophobicContact CB-CG 3.96Å; D569-M572 HydrophobicContact CB-SD 4Å; D569-M572 PolarHBondContact O-N 3.43Å; D569-M572 PolarHBondContact OD1-N 3.38Å; D569-M572 WeakPolarHBondContact OD2-CG 3.48Å; M572-R574 PolarHBondContact O-N 3.47Å; M572-G575 PolarHBondContact O-N 3.23Å
573	L	67.4	Low	73.9	Confident	81 Å²	81	83.3 Å²	83.3	42%	0.424	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.1	-177.2	-64	174.3	0	0	0	115	R233 K571	R233-L573 HydrophobicContact CG-CD2 3.82Å; K571-L573 PolarHBondContact O-N 2.88Å
574	R	60.2	Low	73.1	Confident	252 Å²	252	85.9 Å²	85.9	95%	0.951	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	42.1	-178.5	-62	-172.7	179.6	-176.3	0.2	113	M572	M572-R574 PolarHBondContact O-N 3.47Å
575	G	54.6	Low	72.8	Confident	34 Å²	34	87.5 Å²	87.5	35%	0.351	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-94.1	144.5	174.4	0	0	0	0	0	112.1	M572 D577	M572-G575 PolarHBondContact O-N 3.23Å; G575-D577 PolarHBondContact O-N 3.07Å
576	N	54.6	Low	72.6	Confident	150 Å²	150	90.1 Å²	90.1	80%	0.802	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-63.7	124.8	157.8	-98.7	12.1	0	0	0	107	S578	N576-S578 PolarHBondContact O-N 3.38Å
577	D	52.8	Low	72.4	Confident	106 Å²	106	88.9 Å²	88.9	57%	0.567	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	129.3	167.2	-66.7	-34.1	0	0	0	107.9	G575	G575-D577 PolarHBondContact O-N 3.07Å
578	S	55.1	Low	72.4	Confident	74 Å²	74	92.5 Å²	92.5	52%	0.517	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.2	-1.6	165.3	-36	0	0	0	0	120.2	N576	N576-S578 PolarHBondContact O-N 3.38Å
579	S	60.4	Low	72.4	Confident	83 Å²	83	94.9 Å²	94.9	58%	0.58	48%	0.479	S	S	*	.			trans	-97.6	103	174.6	60.2	0	0	0	0	112.8
580	V	65.8	Low	72.6	Confident	62 Å²	62	94.2 Å²	94.2	38%	0.376	48%	0.475	S	S	.	.			trans	-54.9	128.7	165.6	-179.2	0	0	0	0	107.9	Y567 R582	Y567-V580 HydrophobicContact CD2-CB 4.33Å; Y567-V580 HydrophobicContact CD2-CG1 4.31Å; Y567-V580 HydrophobicContact CD2-CG2 3.88Å; Y567-V580 HydrophobicContact CG-CG2 4.03Å; V580-R582 PolarHBondContact O-N 2.85Å
581	P	66.6	Low	72.9	Confident	57 Å²	57	94.4 Å²	94.4	37%	0.37	48%	0.476	S	S	.	.			trans	-52.3	136.6	177.4	-26.9	34	0	0	0	111.1	Y567 N583	Y567-P581 HydrophobicContact CE1-CG 4.45Å; Y567-P581 VanDerWaalsContact CZ-CD 3.43Å; P581-N583 PolarHBondContact O-N 3.29Å; P581-N583 VanDerWaalsContact O-N 3.08Å
582	R	61.2	Low	73.5	Confident	248 Å²	248	88.8 Å²	88.8	94%	0.936	45%	0.452	S	S	*	.	S	Bend	trans	-61.2	-19	178.2	-72.9	-172.8	177.9	178.5	-0.1	113.1	V580 K584	V580-R582 PolarHBondContact O-N 2.85Å; R582-K584 PolarHBondContact O-N 2.67Å
583	N	61.5	Low	74.2	Confident	125 Å²	125	84.6 Å²	84.6	67%	0.668	43%	0.431	S	S	*	.			trans	-87.4	107.7	-179.5	-147.1	8.7	0	0	0	110	P581 N585	P581-N583 PolarHBondContact O-N 3.29Å; P581-N583 VanDerWaalsContact O-N 3.08Å; N583-N585 PolarHBondContact O-N 2.84Å
584	K	66.9	Low	75.6	Confident	142 Å²	142	80.8 Å²	80.8	62%	0.617	41%	0.411	S	S	*	.			trans	-93.6	63.4	-171.6	-63.2	-175.5	177.6	-171	0	112	M556 R582	M556-K584 HydrophobicContact CB-CB 4.18Å; R582-K584 PolarHBondContact O-N 2.67Å
585	N	79.9	Confident	77.4	Confident	113 Å²	113	68.8 Å²	68.8	60%	0.604	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-79	130.4	170.7	-71.5	-13.3	0	0	0	109.3	N583	N583-N585 PolarHBondContact O-N 2.84Å
586	P	87.4	Confident	79.2	Confident	67 Å²	67	67.2 Å²	67.2	44%	0.435	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-59.3	149.4	172	-24.8	35	0	0	0	111.9	M554	M554-P586 CarbonylContact O-C 3.56Å; M554-P586 WeakPolarHBondContact O-CA 3.49Å
587	F	90.6	Very high	81	Confident	23 Å²	23	60 Å²	60	10%	0.101	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-80.8	140.3	173.3	-64.2	-84.2	0	0	0	110.7	I208 L256 M554 M556	I208-F587 HydrophobicContact CB-CE1 4.35Å; I208-F587 HydrophobicContact CB-CZ 4.42Å; I208-F587 HydrophobicContact CD1-CE1 3.78Å; I208-F587 HydrophobicContact CD1-CZ 4.14Å; I208-F587 HydrophobicContact CG2-CZ 4.21Å; L256-F587 HydrophobicContact CB-CB 4.12Å; L256-F587 HydrophobicContact CB-CD1 3.76Å; L256-F587 HydrophobicContact CB-CD2 3.85Å; L256-F587 HydrophobicContact CB-CE1 4.04Å; L256-F587 HydrophobicContact CB-CE2 4.08Å; L256-F587 HydrophobicContact CB-CG 3.65Å; L256-F587 HydrophobicContact CB-CZ 4.19Å; L256-F587 HydrophobicContact CD1-CD2 4.46Å; L256-F587 HydrophobicContact CD1-CE2 3.97Å; L256-F587 HydrophobicContact CD1-CZ 4.14Å; L256-F587 HydrophobicContact CD2-CD2 3.68Å; L256-F587 HydrophobicContact CD2-CE2 3.93Å; L256-F587 HydrophobicContact CD2-CG 4.25Å; L256-F587 HydrophobicContact CG-CD2 4.19Å; L256-F587 HydrophobicContact CG-CE2 4.2Å; L256-F587 HydrophobicContact CG-CG 4.48Å; M554-F587 VanDerWaalsContact CE-O 3.26Å; M554-F587 WeakPolarHBondContact CE-O 3.42Å; M554-F587 HydrophobicContact CG-CB 4.03Å; M554-F587 WeakPolarHBondContact CG-O 3.36Å; M554-F587 PolarHBondContact O-N 3.05Å; M556-F587 HydrophobicContact CE-CD2 3.95Å; M556-F587 HydrophobicContact CE-CE2 3.11Å; M556-F587 HydrophobicContact CE-CZ 3.56Å; M556-F587 HydrophobicContact SD-CE2 4.04Å
588	Q	91.1	Very high	83.1	Confident	97 Å²	97	55 Å²	55	45%	0.453	28%	0.284	S	S	.	.	S	Bend	trans	-88.4	-36.2	171.3	-67.5	-178.5	-4.5	0	0	111.5	Q253 M554 K616 H617	Q253-Q588 VanDerWaalsContact CD-CD 3.45Å; Q253-Q588 VanDerWaalsContact CD-OE1 3.27Å; Q253-Q588 VanDerWaalsContact NE2-CD 3.31Å; M554-Q588 VanDerWaalsContact CE-O 3.23Å; M554-Q588 WeakPolarHBondContact CE-O 3.2Å; Q588-K616 CarbonylContact O-C 3.55Å; Q588-K616 WeakPolarHBondContact O-CA 3.43Å; Q588-H617 PolarHBondContact O-N 3.1Å
589	E	92.4	Very high	85	Confident	56 Å²	56	51.8 Å²	51.8	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.2	179.1	-65.3	178.4	-172.6	0	0	110.2	P255 L256 H617	P255-E589 WeakPolarHBondContact CA-O 3.2Å; P255-E589 HydrophobicContact CB-CB 3.99Å; L256-E589 PolarHBondContact N-O 2.9Å; E589-H617 WeakPolarHBondContact CA-O 3.25Å; E589-H617 HydrophobicContact CG-CB 4.37Å
590	A	95.5	Very high	86.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.2	174.2	0	0	0	0	0	112.2	L256 L550 M554 H617 I618 L619	L256-A590 HydrophobicContact CB-CB 4.16Å; L256-A590 HydrophobicContact CD2-CB 4.46Å; L256-A590 CarbonylContact O-C 3.34Å; L256-A590 VanDerWaalsContact O-CA 3.23Å; L256-A590 WeakPolarHBondContact O-CA 3.48Å; L550-A590 HydrophobicContact CD1-CB 3.61Å; M554-A590 HydrophobicContact CE-CB 4.27Å; M554-A590 HydrophobicContact CG-CB 4.34Å; M554-A590 HydrophobicContact SD-CB 4.29Å; A590-H617 PolarHBondContact N-O 3.44Å; A590-I618 CarbonylContact O-C 3.57Å; A590-I618 VanDerWaalsContact O-CA 3.29Å; A590-I618 WeakPolarHBondContact O-CA 3.46Å; A590-L619 PolarHBondContact O-N 3.2Å
591	I	97.8	Very high	88.2	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.5	175	-62	146.9	0	0	0	106.2	F160 F199 F200 L203 P255 L256 L257 V258 L619	F160-I591 HydrophobicContact CE1-CG2 4.12Å; F199-I591 HydrophobicContact CE1-CD1 3.89Å; F199-I591 HydrophobicContact CE1-CG1 4.48Å; F199-I591 HydrophobicContact CZ-CD1 4.27Å; F199-I591 HydrophobicContact CZ-CG1 4.45Å; F200-I591 HydrophobicContact CE1-CD1 3.47Å; F200-I591 VanDerWaalsContact CE1-CD1 3.47Å; F200-I591 HydrophobicContact CZ-CD1 3.75Å; L203-I591 HydrophobicContact CD2-CD1 3.86Å; P255-I591 HydrophobicContact CB-CD1 4.07Å; P255-I591 HydrophobicContact CG-CD1 4.31Å; L256-I591 PolarHBondContact O-N 2.56Å; L257-I591 CarbonylContact C-O 3.56Å; L257-I591 WeakPolarHBondContact CA-O 3.43Å; L257-I591 HydrophobicContact CD1-CB 4.01Å; L257-I591 HydrophobicContact CD1-CG2 3.7Å; V258-I591 PolarHBondContact N-O 3.48Å; I591-L619 CarbonylContact C-O 3.56Å; I591-L619 VanDerWaalsContact CA-O 3.26Å; I591-L619 WeakPolarHBondContact CA-O 3.45Å; I591-L619 HydrophobicContact CG1-CB 4.07Å; I591-L619 HydrophobicContact CG1-CD2 4.42Å; I591-L619 HydrophobicContact CG2-CD2 4.07Å
592	V	97.9	Very high	89.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.3	168.1	-179.4	0	0	0	0	108.3	V258 V260 V546 L550 L619 Y620 G621	V258-V592 HydrophobicContact CB-CG2 4.3Å; V258-V592 WeakPolarHBondContact O-CA 3.33Å; V260-V592 HydrophobicContact CG2-CG1 4.15Å; V546-V592 HydrophobicContact CG1-CG1 3.7Å; L550-V592 HydrophobicContact CB-CG2 3.86Å; L550-V592 HydrophobicContact CD1-CG2 3.6Å; L550-V592 HydrophobicContact CD2-CG2 3.59Å; L550-V592 HydrophobicContact CG-CG2 3.85Å; V592-L619 PolarHBondContact N-O 3.28Å; V592-Y620 CarbonylContact O-C 3.42Å; V592-G621 PolarHBondContact O-N 3.23Å
593	F	98.5	Very high	91.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.1	174.2	-176	-91.6	0	0	0	111.1	F160 L162 I192 L196 L257 V258 L259 V260 V595 G621 C622	F160-F593 HydrophobicContact CE1-CD2 4.42Å; F160-F593 AromaticContact CE2-CD2 3.91Å; F160-F593 HydrophobicContact CE2-CD2 3.91Å; F160-F593 AromaticContact CE2-CE2 3.97Å; F160-F593 HydrophobicContact CE2-CE2 3.97Å; F160-F593 AromaticContact CZ-CD2 3.59Å; F160-F593 HydrophobicContact CZ-CD2 3.59Å; F160-F593 HydrophobicContact CZ-CE2 4.14Å; L162-F593 HydrophobicContact CD1-CE1 4.43Å; L162-F593 HydrophobicContact CD1-CE2 4.04Å; L162-F593 HydrophobicContact CD1-CZ 3.46Å; L162-F593 VanDerWaalsContact CD1-CZ 3.46Å; L162-F593 HydrophobicContact CD2-CE2 3.63Å; L162-F593 HydrophobicContact CD2-CZ 3.97Å; L162-F593 HydrophobicContact CG-CE2 3.72Å; L162-F593 HydrophobicContact CG-CZ 3.64Å; I192-F593 HydrophobicContact CG2-CE1 3.83Å; I192-F593 HydrophobicContact CG2-CZ 4.16Å; L196-F593 HydrophobicContact CD1-CD1 4.15Å; L196-F593 HydrophobicContact CD1-CE1 4.21Å; L196-F593 HydrophobicContact CD1-CG 4.47Å; L196-F593 HydrophobicContact CD2-CD1 4.4Å; L196-F593 HydrophobicContact CD2-CD2 3.69Å; L196-F593 HydrophobicContact CD2-CE2 3.91Å; L196-F593 HydrophobicContact CD2-CG 3.95Å; L196-F593 HydrophobicContact CD2-CZ 4.36Å; L257-F593 HydrophobicContact CD1-CB 4.17Å; V258-F593 PolarHBondContact O-N 3.05Å; L259-F593 HydrophobicContact CD2-CB 3.81Å; L259-F593 HydrophobicContact CD2-CD1 3.98Å; L259-F593 HydrophobicContact CD2-CG 4.28Å; V260-F593 PolarHBondContact N-O 2.89Å; F593-V595 HydrophobicContact CD1-CG2 3.99Å; F593-V595 HydrophobicContact CE1-CG2 3.92Å; F593-G621 CarbonylContact C-O 3.59Å; F593-G621 VanDerWaalsContact CA-O 3.25Å; F593-G621 WeakPolarHBondContact CA-O 3.27Å; F593-G621 VanDerWaalsContact CD2-C 3.48Å; F593-C622 WeakPolarHBondContact CE2-O 3.45Å; F593-C622 VanDerWaalsContact CZ-C 3.48Å
594	V	98	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.6	178.3	-164	0	0	0	0	111.7	V260 R262 G597 Y620 G621 C622 S623	V260-V594 HydrophobicContact CG2-CB 4.03Å; V260-V594 HydrophobicContact CG2-CG1 3.95Å; V260-V594 HydrophobicContact CG2-CG2 3.66Å; V260-V594 WeakPolarHBondContact O-CA 3.32Å; R262-V594 HydrophobicContact CB-CG1 4.35Å; V594-G597 WeakPolarHBondContact CG1-O 3.22Å; V594-Y620 HydrophobicContact CG2-CE2 3.8Å; V594-G621 PolarHBondContact N-O 3.38Å; V594-C622 HydrophobicContact CB-CB 4.36Å; V594-C622 WeakPolarHBondContact O-CA 3.35Å; V594-S623 PolarHBondContact O-N 3.35Å; V594-S623 VanDerWaalsContact O-N 3.13Å
595	V	96.9	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.6	172.5	-179.1	0	0	0	0	109	I175 I192 A216 A217 V220 V260 R262 F593	I175-V595 HydrophobicContact CD1-CG1 3.76Å; I192-V595 HydrophobicContact CD1-CG1 4.14Å; A216-V595 HydrophobicContact CB-CG1 3.85Å; A217-V595 HydrophobicContact CB-CG2 4.28Å; V220-V595 HydrophobicContact CG2-CG2 4.15Å; V260-V595 PolarHBondContact O-N 3.43Å; R262-V595 PolarHBondContact N-O 3.44Å; F593-V595 HydrophobicContact CD1-CG2 3.99Å; F593-V595 HydrophobicContact CE1-CG2 3.92Å
596	G	92.1	Very high	94.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	17.4	-173.6	0	0	0	0	0	113.5	Y172 S623	Y172-G596 WeakPolarHBondContact CB-O 3.48Å; G596-S623 PolarHBondContact N-OG 3.02Å; G596-S623 VanDerWaalsContact N-OG 3.1Å
597	G	93.4	Very high	95.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.			trans	96.1	159.9	166.2	0	0	0	0	0	115.8	R262 V594 S623 E624	R262-G597 VanDerWaalsContact CZ-O 3.25Å; R262-G597 PolarHBondContact NE-O 2.87Å; R262-G597 PolarHBondContact NH2-O 3.28Å; V594-G597 WeakPolarHBondContact CG1-O 3.22Å; G597-S623 PolarHBondContact N-OG 3.14Å; G597-E624 CarbonylContact C-O 3.6Å; G597-E624 WeakPolarHBondContact CA-O 3.48Å
598	G	95.5	Very high	95.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-138.1	175.5	-169.6	0	0	0	0	0	112.4	Y620 E624 F626	G598-Y620 WeakPolarHBondContact CA-OH 3.5Å; G598-E624 PolarHBondContact N-O 2.92Å; G598-F626 PolarHBondContact O-N 3.08Å; G598-F626 VanDerWaalsContact O-N 3.08Å
599	N	95.6	Very high	95.2	Very high	7 Å²	7	11.6 Å²	11.6	4%	0.037	6%	0.059	C	C	.	.			trans	-150.7	163.3	-178.3	65	70.5	0	0	0	111.7	I601 E602 Y603 Y620	N599-I601 VanDerWaalsContact C-N 3.27Å; N599-I601 PolarHBondContact O-N 2.67Å; N599-I601 WeakPolarHBondContact OD1-CA 3.2Å; N599-I601 WeakPolarHBondContact OD1-CB 3.34Å; N599-I601 PolarHBondContact OD1-N 3.45Å; N599-E602 PolarHBondContact O-N 3.41Å; N599-E602 PolarHBondContact OD1-N 3.01Å; N599-Y603 PolarHBondContact O-N 3.33Å; N599-Y620 PolarHBondContact N-OH 3.46Å; N599-Y620 VanDerWaalsContact N-OH 3.09Å
600	Y	96.9	Very high	95.2	Very high	5 Å²	5	10.2 Å²	10.2	2%	0.02	5%	0.053	C	C	.	.	H	α-helix	trans	-69.1	-19.3	179.9	-77.7	-68.4	0	0	0	114.4	M159 Q277 H281 F286 Y603 Q604 L625	M159-Y600 HydrophobicContact CE-CD1 4.32Å; M159-Y600 HydrophobicContact CE-CE1 4.04Å; M159-Y600 HydrophobicContact SD-CD1 4.22Å; M159-Y600 HydrophobicContact SD-CE1 3.7Å; Q277-Y600 HydrophobicContact CG-CD1 3.64Å; Q277-Y600 HydrophobicContact CG-CD2 4.32Å; Q277-Y600 HydrophobicContact CG-CE1 3.84Å; Q277-Y600 HydrophobicContact CG-CE2 4.47Å; Q277-Y600 HydrophobicContact CG-CG 3.9Å; H281-Y600 HydrophobicContact CB-CD2 3.65Å; H281-Y600 HydrophobicContact CB-CE2 4.01Å; H281-Y600 AromaticContact CD2-CE2 3.86Å; H281-Y600 AromaticContact CG-CD2 3.55Å; H281-Y600 AromaticContact CG-CE2 3.74Å; H281-Y600 AromaticContact ND1-CD2 3.59Å; F286-Y600 HydrophobicContact CD1-CE2 4.14Å; F286-Y600 AromaticContact CE1-CE2 3.73Å; F286-Y600 HydrophobicContact CE1-CE2 3.73Å; F286-Y600 AromaticContact CE1-CZ 3.88Å; Y600-Y603 HydrophobicContact CD1-CD1 4Å; Y600-Q604 VanDerWaalsContact O-CB 3.28Å; Y600-Q604 WeakPolarHBondContact O-CB 3.3Å; Y600-Q604 PolarHBondContact O-N 3.5Å; Y600-L625 HydrophobicContact CD2-CD2 4.35Å; Y600-L625 HydrophobicContact CE1-CD2 4.44Å; Y600-L625 HydrophobicContact CE2-CD2 3.63Å; Y600-L625 HydrophobicContact CE2-CG 4.42Å
601	I	95.5	Very high	94.9	Very high	31 Å²	31	17 Å²	17	16%	0.159	8%	0.082	C	C	.	.	H	α-helix	trans	-68.1	-45.2	177.7	-52.2	174.3	0	0	0	109.3	T268 H271 A278 L544 N599 Q604 N605	T268-I601 HydrophobicContact CG2-CB 4.03Å; T268-I601 HydrophobicContact CG2-CG2 3.95Å; H271-I601 HydrophobicContact CB-CD1 4.21Å; A278-I601 HydrophobicContact CB-CG1 4.1Å; L544-I601 HydrophobicContact CD1-CG2 4.09Å; N599-I601 VanDerWaalsContact C-N 3.27Å; N599-I601 PolarHBondContact O-N 2.67Å; N599-I601 WeakPolarHBondContact OD1-CA 3.2Å; N599-I601 WeakPolarHBondContact OD1-CB 3.34Å; N599-I601 PolarHBondContact OD1-N 3.45Å; I601-Q604 PolarHBondContact O-N 3.28Å; I601-N605 WeakPolarHBondContact O-CB 3.41Å; I601-N605 PolarHBondContact O-N 2.99Å
602	E	95.9	Very high	94	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-46	175.3	-67	-179.7	149.3	0	0	112.3	R262 T268 V546 N599 Q604 N605 L606 Y620	R262-E602 IonicContact CZ-OE1 2.94Å; R262-E602 VanDerWaalsContact CZ-OE1 3.23Å; R262-E602 IonicContact CZ-OE2 3.9Å; R262-E602 IonicContact NH1-OE1 2.78Å; R262-E602 PolarHBondContact NH1-OE1 2.76Å; R262-E602 IonicContact NH1-OE2 3.74Å; R262-E602 IonicContact NH2-OE1 3.17Å; R262-E602 PolarHBondContact NH2-OE1 2.98Å; R262-E602 IonicContact NH2-OE2 3.89Å; R262-E602 PolarHBondContact NH2-OE2 3.48Å; T268-E602 HydrophobicContact CG2-CG 3.81Å; V546-E602 WeakPolarHBondContact CG2-OE1 3.39Å; N599-E602 PolarHBondContact O-N 3.41Å; N599-E602 PolarHBondContact OD1-N 3.01Å; E602-Q604 VanDerWaalsContact C-N 3.35Å; E602-Q604 PolarHBondContact O-N 2.94Å; E602-N605 PolarHBondContact O-N 3.34Å; E602-L606 WeakPolarHBondContact O-CG 3.4Å; E602-L606 PolarHBondContact O-N 3.01Å; E602-Y620 HydrophobicContact CB-CE2 4.06Å; E602-Y620 PolarHBondContact OE2-OH 2.94Å
603	Y	96.9	Very high	93.5	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-55.4	-51.1	175.2	168.5	-111.2	0	0	0	110.9	E156 D158 M159 N599 Y600 N605 L606 V607 Y620	E156-Y603 HydrophobicContact CB-CE2 4.49Å; E156-Y603 WeakPolarHBondContact CB-OH 3.43Å; E156-Y603 HydrophobicContact CG-CE1 3.95Å; D158-Y603 VanDerWaalsContact OD1-CE2 3.3Å; D158-Y603 WeakPolarHBondContact OD1-CE2 3.42Å; D158-Y603 PolarHBondContact OD1-OH 3.39Å; M159-Y603 HydrophobicContact CB-CD2 4.18Å; M159-Y603 HydrophobicContact CB-CE2 3.96Å; M159-Y603 HydrophobicContact CG-CD2 4.38Å; M159-Y603 HydrophobicContact SD-CD1 4.42Å; M159-Y603 HydrophobicContact SD-CD2 4.33Å; M159-Y603 HydrophobicContact SD-CG 4.18Å; N599-Y603 PolarHBondContact O-N 3.33Å; Y600-Y603 HydrophobicContact CD1-CD1 4Å; Y603-N605 VanDerWaalsContact C-N 3.3Å; Y603-N605 PolarHBondContact O-N 2.91Å; Y603-L606 WeakPolarHBondContact O-CB 3.42Å; Y603-L606 PolarHBondContact O-N 2.75Å; Y603-L606 VanDerWaalsContact O-N 3.12Å; Y603-V607 HydrophobicContact CD1-CG2 4.44Å; Y603-V607 HydrophobicContact CD2-CG2 4.09Å; Y603-V607 HydrophobicContact CE1-CG2 3.99Å; Y603-V607 HydrophobicContact CE2-CG2 3.58Å; Y603-V607 WeakPolarHBondContact O-CG2 3.28Å; Y603-V607 PolarHBondContact O-N 3.23Å; Y603-Y620 HydrophobicContact CD2-CD1 4.3Å; Y603-Y620 HydrophobicContact CD2-CG 4.43Å
604	Q	94.6	Very high	92.9	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-35.2	-178.5	-170.8	52.3	43.4	0	0	112.1	T275 G330 Y600 I601 E602 L606 V607 D608	T275-Q604 HydrophobicContact CG2-CG 4.16Å; G330-Q604 VanDerWaalsContact CA-OE1 3.3Å; Y600-Q604 VanDerWaalsContact O-CB 3.28Å; Y600-Q604 WeakPolarHBondContact O-CB 3.3Å; Y600-Q604 PolarHBondContact O-N 3.5Å; I601-Q604 PolarHBondContact O-N 3.28Å; E602-Q604 VanDerWaalsContact C-N 3.35Å; E602-Q604 PolarHBondContact O-N 2.94Å; Q604-L606 VanDerWaalsContact C-N 3.33Å; Q604-L606 PolarHBondContact O-N 2.7Å; Q604-V607 PolarHBondContact O-N 3.11Å; Q604-D608 VanDerWaalsContact NE2-CG 3.33Å; Q604-D608 PolarHBondContact NE2-OD1 3.15Å; Q604-D608 PolarHBondContact NE2-OD2 2.97Å; Q604-D608 PolarHBondContact O-N 3.42Å
605	N	94.1	Very high	92.2	Very high	24 Å²	24	34.9 Å²	34.9	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-38.3	174.6	-166.5	-112.5	0	0	0	112.4	Q542 L544 T547 I601 E602 Y603 Y609	Q542-N605 PolarHBondContact O-ND2 3.17Å; L544-N605 WeakPolarHBondContact CB-OD1 3.42Å; L544-N605 HydrophobicContact CD1-CB 3.68Å; L544-N605 HydrophobicContact CG-CB 4.07Å; L544-N605 PolarHBondContact N-OD1 2.71Å; T547-N605 VanDerWaalsContact CB-OD1 3.3Å; T547-N605 WeakPolarHBondContact CB-OD1 3.48Å; T547-N605 PolarHBondContact OG1-OD1 3.44Å; I601-N605 WeakPolarHBondContact O-CB 3.41Å; I601-N605 PolarHBondContact O-N 2.99Å; E602-N605 PolarHBondContact O-N 3.34Å; Y603-N605 VanDerWaalsContact C-N 3.3Å; Y603-N605 PolarHBondContact O-N 2.91Å; N605-Y609 VanDerWaalsContact O-CB 3.26Å; N605-Y609 WeakPolarHBondContact O-CB 3.49Å; N605-Y609 PolarHBondContact O-N 3.02Å
606	L	95.3	Very high	91.9	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-68.1	-41.6	173.7	-71.1	171.6	0	0	0	112	V546 T547 L550 E602 Y603 Q604 D608 Y609 I610 I618 Y620	V546-L606 HydrophobicContact CG1-CD1 4.38Å; T547-L606 HydrophobicContact CG2-CD2 4.15Å; T547-L606 WeakPolarHBondContact OG1-CD2 3.42Å; L550-L606 HydrophobicContact CD2-CD2 3.53Å; E602-L606 WeakPolarHBondContact O-CG 3.4Å; E602-L606 PolarHBondContact O-N 3.01Å; Y603-L606 WeakPolarHBondContact O-CB 3.42Å; Y603-L606 PolarHBondContact O-N 2.75Å; Y603-L606 VanDerWaalsContact O-N 3.12Å; Q604-L606 VanDerWaalsContact C-N 3.33Å; Q604-L606 PolarHBondContact O-N 2.7Å; L606-D608 VanDerWaalsContact C-N 3.34Å; L606-D608 PolarHBondContact O-N 3.03Å; L606-Y609 PolarHBondContact O-N 3.28Å; L606-I610 PolarHBondContact O-N 3.23Å; L606-I618 HydrophobicContact CB-CG2 4.39Å; L606-I618 HydrophobicContact CD1-CG2 4.42Å; L606-I618 HydrophobicContact CD2-CG2 4.36Å; L606-Y620 HydrophobicContact CD1-CD2 3.54Å; L606-Y620 HydrophobicContact CD1-CE2 4.37Å; L606-Y620 HydrophobicContact CD1-CG 4.14Å
607	V	93.4	Very high	91.9	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.127	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-44.8	174.8	168.5	0	0	0	0	110.8	Y603 Q604 I610 K611	Y603-V607 HydrophobicContact CD1-CG2 4.44Å; Y603-V607 HydrophobicContact CD2-CG2 4.09Å; Y603-V607 HydrophobicContact CE1-CG2 3.99Å; Y603-V607 HydrophobicContact CE2-CG2 3.58Å; Y603-V607 WeakPolarHBondContact O-CG2 3.28Å; Y603-V607 PolarHBondContact O-N 3.23Å; Q604-V607 PolarHBondContact O-N 3.11Å; V607-I610 WeakPolarHBondContact O-CG2 3.4Å; V607-I610 PolarHBondContact O-N 3.23Å; V607-K611 WeakPolarHBondContact O-CG 3.14Å; V607-K611 PolarHBondContact O-N 3.37Å
608	D	91.3	Very high	92	Very high	55 Å²	55	41.4 Å²	41.4	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-70.6	-36.5	179.1	-68.8	-29.3	0	0	0	112.3	Q604 L606 I610 K611	Q604-D608 VanDerWaalsContact NE2-CG 3.33Å; Q604-D608 PolarHBondContact NE2-OD1 3.15Å; Q604-D608 PolarHBondContact NE2-OD2 2.97Å; Q604-D608 PolarHBondContact O-N 3.42Å; L606-D608 VanDerWaalsContact C-N 3.34Å; L606-D608 PolarHBondContact O-N 3.03Å; D608-I610 PolarHBondContact O-N 2.91Å; D608-K611 IonicContact OD1-NZ 3.97Å; D608-K611 PolarHBondContact OD1-NZ 2.93Å
609	Y	92.1	Very high	92.1	Very high	22 Å²	22	41.7 Å²	41.7	9%	0.086	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-39	173.7	162.8	-103	0	0	0	112.9	T547 D551 N605 L606 K613 I618	T547-Y609 HydrophobicContact CG2-CD1 3.94Å; T547-Y609 HydrophobicContact CG2-CD2 3.89Å; T547-Y609 HydrophobicContact CG2-CG 3.56Å; D551-Y609 VanDerWaalsContact CA-OH 3.29Å; D551-Y609 WeakPolarHBondContact CA-OH 3.4Å; D551-Y609 HydrophobicContact CB-CE2 3.95Å; D551-Y609 WeakPolarHBondContact CB-OH 3.02Å; D551-Y609 PolarHBondContact OD1-OH 2.87Å; N605-Y609 VanDerWaalsContact O-CB 3.26Å; N605-Y609 WeakPolarHBondContact O-CB 3.49Å; N605-Y609 PolarHBondContact O-N 3.02Å; L606-Y609 PolarHBondContact O-N 3.28Å; Y609-K613 HydrophobicContact CE1-CD 4.47Å; Y609-K613 HydrophobicContact CE2-CD 4.2Å; Y609-K613 VanDerWaalsContact CE2-CE 3.43Å; Y609-K613 WeakPolarHBondContact OH-CE 3.49Å; Y609-K613 PolarHBondContact OH-NZ 3.33Å; Y609-I618 HydrophobicContact CD1-CD1 3.62Å; Y609-I618 HydrophobicContact CE1-CD1 3.44Å; Y609-I618 VanDerWaalsContact CE1-CD1 3.44Å
610	I	92.4	Very high	92.2	Very high	28 Å²	28	41.5 Å²	41.5	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-79.6	-27.2	-178.1	-156.5	56.3	0	0	0	113.5	L606 V607 D608 G612 K613 K616 I618	L606-I610 PolarHBondContact O-N 3.23Å; V607-I610 WeakPolarHBondContact O-CG2 3.4Å; V607-I610 PolarHBondContact O-N 3.23Å; D608-I610 PolarHBondContact O-N 2.91Å; I610-G612 PolarHBondContact O-N 3.11Å; I610-K613 HydrophobicContact CD1-CB 4.01Å; I610-K613 PolarHBondContact O-N 3.24Å; I610-K616 HydrophobicContact CD1-CB 3.48Å; I610-K616 VanDerWaalsContact CD1-CB 3.48Å; I610-K616 WeakPolarHBondContact CG1-O 3.27Å; I610-I618 HydrophobicContact CB-CD1 4.05Å; I610-I618 HydrophobicContact CD1-CD1 3.49Å; I610-I618 VanDerWaalsContact CD1-CD1 3.49Å; I610-I618 HydrophobicContact CD1-CG1 3.83Å; I610-I618 HydrophobicContact CG1-CD1 3.99Å; I610-I618 HydrophobicContact CG1-CG1 4.19Å
611	K	88.6	Confident	92.2	Very high	144 Å²	144	41.2 Å²	41.2	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-52.3	-30.2	176.6	-80.6	171.9	-172.1	164	0	113	V607 D608	V607-K611 WeakPolarHBondContact O-CG 3.14Å; V607-K611 PolarHBondContact O-N 3.37Å; D608-K611 IonicContact OD1-NZ 3.97Å; D608-K611 PolarHBondContact OD1-NZ 2.93Å
612	G	80.1	Confident	92.3	Very high	70 Å²	70	39.8 Å²	39.8	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.8	177.7	0	0	0	0	0	115.8	I610	I610-G612 PolarHBondContact O-N 3.11Å
613	K	87.3	Confident	92.3	Very high	49 Å²	49	39.8 Å²	39.8	21%	0.213	22%	0.222	C	C	.	.			trans	-117.6	106.8	-171.9	-68.5	-162.3	175.2	-164.8	0	111.8	D551 E555 Y609 I610 K616	D551-K613 IonicContact OD1-NZ 2.64Å; D551-K613 PolarHBondContact OD1-NZ 3.37Å; E555-K613 IonicContact OE1-NZ 3.67Å; E555-K613 PolarHBondContact OE1-NZ 3.25Å; Y609-K613 HydrophobicContact CE1-CD 4.47Å; Y609-K613 HydrophobicContact CE2-CD 4.2Å; Y609-K613 VanDerWaalsContact CE2-CE 3.43Å; Y609-K613 WeakPolarHBondContact OH-CE 3.49Å; Y609-K613 PolarHBondContact OH-NZ 3.33Å; I610-K613 HydrophobicContact CD1-CB 4.01Å; I610-K613 PolarHBondContact O-N 3.24Å; K613-K616 HydrophobicContact CB-CB 4.34Å; K613-K616 HydrophobicContact CB-CD 4.29Å; K613-K616 HydrophobicContact CD-CD 4.07Å
614	Q	84.6	Confident	92.2	Very high	196 Å²	196	39.6 Å²	39.6	92%	0.916	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	139.9	178.7	-66.2	-174.9	-7	0	0	112.3	K616	Q614-K616 PolarHBondContact O-N 3.33Å
615	G	84.6	Confident	92.2	Very high	66 Å²	66	40.4 Å²	40.4	68%	0.68	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	16	174.5	0	0	0	0	0	114.7
616	K	90.1	Very high	92.2	Very high	41 Å²	41	39.2 Å²	39.2	18%	0.178	22%	0.22	C	C	.	.			trans	-118.9	141.3	177.2	-70.5	-172.4	175.2	-143.4	0	110.6	M554 E555 Q588 I610 K613 Q614	M554-K616 HydrophobicContact CE-CB 3.74Å; M554-K616 HydrophobicContact CE-CD 3.67Å; M554-K616 HydrophobicContact CE-CG 3.79Å; M554-K616 HydrophobicContact SD-CD 4.1Å; E555-K616 IonicContact OE1-NZ 3.69Å; E555-K616 PolarHBondContact OE1-NZ 3.1Å; E555-K616 IonicContact OE2-NZ 3.4Å; E555-K616 PolarHBondContact OE2-NZ 3.26Å; Q588-K616 CarbonylContact O-C 3.55Å; Q588-K616 WeakPolarHBondContact O-CA 3.43Å; I610-K616 HydrophobicContact CD1-CB 3.48Å; I610-K616 VanDerWaalsContact CD1-CB 3.48Å; I610-K616 WeakPolarHBondContact CG1-O 3.27Å; K613-K616 HydrophobicContact CB-CB 4.34Å; K613-K616 HydrophobicContact CB-CD 4.29Å; K613-K616 HydrophobicContact CD-CD 4.07Å; Q614-K616 PolarHBondContact O-N 3.33Å
617	H	92	Very high	92.2	Very high	90 Å²	90	40 Å²	40	42%	0.417	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.2	178.5	-173.2	-80.6	0	0	0	109.7	Q588 E589 A590	Q588-H617 PolarHBondContact O-N 3.1Å; E589-H617 WeakPolarHBondContact CA-O 3.25Å; E589-H617 HydrophobicContact CG-CB 4.37Å; A590-H617 PolarHBondContact N-O 3.44Å
618	I	95.3	Very high	92.3	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.3	179.8	-66.5	168.1	0	0	0	108.1	D158 L550 M554 A590 L606 Y609 I610	D158-I618 WeakPolarHBondContact CB-O 3.27Å; L550-I618 HydrophobicContact CD2-CB 4.49Å; L550-I618 HydrophobicContact CD2-CD1 3.57Å; L550-I618 HydrophobicContact CD2-CG1 3.97Å; L550-I618 HydrophobicContact CD2-CG2 3.69Å; M554-I618 HydrophobicContact CE-CG1 4.43Å; M554-I618 HydrophobicContact SD-CD1 4.35Å; M554-I618 HydrophobicContact SD-CG1 4.39Å; A590-I618 CarbonylContact O-C 3.57Å; A590-I618 VanDerWaalsContact O-CA 3.29Å; A590-I618 WeakPolarHBondContact O-CA 3.46Å; L606-I618 HydrophobicContact CB-CG2 4.39Å; L606-I618 HydrophobicContact CD1-CG2 4.42Å; L606-I618 HydrophobicContact CD2-CG2 4.36Å; Y609-I618 HydrophobicContact CD1-CD1 3.62Å; Y609-I618 HydrophobicContact CE1-CD1 3.44Å; Y609-I618 VanDerWaalsContact CE1-CD1 3.44Å; I610-I618 HydrophobicContact CB-CD1 4.05Å; I610-I618 HydrophobicContact CD1-CD1 3.49Å; I610-I618 VanDerWaalsContact CD1-CD1 3.49Å; I610-I618 HydrophobicContact CD1-CG1 3.83Å; I610-I618 HydrophobicContact CG1-CD1 3.99Å; I610-I618 HydrophobicContact CG1-CG1 4.19Å
619	L	96.9	Very high	92.5	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131	176.5	-170	158.5	0	0	0	108.5	I14 D158 F160 F199 A590 I591 V592	I14-L619 HydrophobicContact CB-CD1 3.87Å; I14-L619 HydrophobicContact CG2-CD1 3.58Å; I14-L619 HydrophobicContact CG2-CG 4.36Å; D158-L619 CarbonylContact O-C 3.58Å; D158-L619 WeakPolarHBondContact O-CA 3.22Å; F160-L619 HydrophobicContact CD1-CD2 3.24Å; F160-L619 HydrophobicContact CE1-CD2 3.3Å; F160-L619 HydrophobicContact CG-CD2 4.48Å; F199-L619 HydrophobicContact CE2-CD1 4.13Å; F199-L619 HydrophobicContact CE2-CD2 3.79Å; F199-L619 HydrophobicContact CZ-CD1 3.82Å; F199-L619 HydrophobicContact CZ-CD2 3.61Å; F199-L619 HydrophobicContact CZ-CG 4.4Å; A590-L619 PolarHBondContact O-N 3.2Å; I591-L619 CarbonylContact C-O 3.56Å; I591-L619 VanDerWaalsContact CA-O 3.26Å; I591-L619 WeakPolarHBondContact CA-O 3.45Å; I591-L619 HydrophobicContact CG1-CB 4.07Å; I591-L619 HydrophobicContact CG1-CD2 4.42Å; I591-L619 HydrophobicContact CG2-CD2 4.07Å; V592-L619 PolarHBondContact N-O 3.28Å
620	Y	98.3	Very high	92.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.8	-179.2	178.5	-105.6	0	0	0	110.8	D158 M159 F160 V592 V594 G598 N599 E602 Y603 L606	D158-Y620 PolarHBondContact O-N 2.61Å; M159-Y620 CarbonylContact C-O 3.59Å; M159-Y620 VanDerWaalsContact CA-O 3.27Å; M159-Y620 WeakPolarHBondContact CA-O 3.45Å; M159-Y620 HydrophobicContact CE-CD1 4.03Å; M159-Y620 HydrophobicContact CE-CE1 4Å; M159-Y620 HydrophobicContact CG-CD1 4.11Å; F160-Y620 VanDerWaalsContact CD1-O 3.32Å; F160-Y620 WeakPolarHBondContact CD1-O 3.49Å; F160-Y620 PolarHBondContact N-O 3.19Å; V592-Y620 CarbonylContact O-C 3.42Å; V594-Y620 HydrophobicContact CG2-CE2 3.8Å; G598-Y620 WeakPolarHBondContact CA-OH 3.5Å; N599-Y620 PolarHBondContact N-OH 3.46Å; N599-Y620 VanDerWaalsContact N-OH 3.09Å; E602-Y620 HydrophobicContact CB-CE2 4.06Å; E602-Y620 PolarHBondContact OE2-OH 2.94Å; Y603-Y620 HydrophobicContact CD2-CD1 4.3Å; Y603-Y620 HydrophobicContact CD2-CG 4.43Å; L606-Y620 HydrophobicContact CD1-CD2 3.54Å; L606-Y620 HydrophobicContact CD1-CE2 4.37Å; L606-Y620 HydrophobicContact CD1-CG 4.14Å
621	G	98.1	Very high	92.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.8	173.9	0	0	0	0	0	112.9	F160 V592 F593 V594	F160-G621 VanDerWaalsContact CE1-CA 3.41Å; F160-G621 VanDerWaalsContact O-CA 3.25Å; F160-G621 WeakPolarHBondContact O-CA 3.36Å; V592-G621 PolarHBondContact O-N 3.23Å; F593-G621 CarbonylContact C-O 3.59Å; F593-G621 VanDerWaalsContact CA-O 3.25Å; F593-G621 WeakPolarHBondContact CA-O 3.27Å; F593-G621 VanDerWaalsContact CD2-C 3.48Å; V594-G621 PolarHBondContact N-O 3.38Å
622	C	97.6	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.9	173.3	58.1	0	0	0	0	112	F160 L162 F593 V594 E624	F160-C622 PolarHBondContact O-N 3.39Å; L162-C622 PolarHBondContact N-O 3.46Å; F593-C622 WeakPolarHBondContact CE2-O 3.45Å; F593-C622 VanDerWaalsContact CZ-C 3.48Å; V594-C622 HydrophobicContact CB-CB 4.36Å; V594-C622 WeakPolarHBondContact O-CA 3.35Å; C622-E624 PolarHBondContact SG-O 3.08Å
623	S	95.8	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-65.2	-43.3	177.5	60.1	0	0	0	0	112.2	V170 V594 G596 G597	V170-S623 WeakPolarHBondContact O-CB 3.16Å; V170-S623 PolarHBondContact O-OG 3.21Å; V594-S623 PolarHBondContact O-N 3.35Å; V594-S623 VanDerWaalsContact O-N 3.13Å; G596-S623 PolarHBondContact N-OG 3.02Å; G596-S623 VanDerWaalsContact N-OG 3.1Å; G597-S623 PolarHBondContact N-OG 3.14Å
624	E	94.2	Very high	94.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.176	C	C	.	.			trans	-134.7	143.5	175.1	172.5	178.4	-158.5	0	0	108.7	K167 S171 G597 G598 C622 F626 Q634	K167-E624 HydrophobicContact CB-CB 4.45Å; K167-E624 HydrophobicContact CB-CG 4.07Å; K167-E624 HydrophobicContact CD-CG 4.06Å; K167-E624 WeakPolarHBondContact CD-OE1 3.43Å; K167-E624 WeakPolarHBondContact CE-OE1 3.31Å; K167-E624 HydrophobicContact CG-CG 4.34Å; K167-E624 WeakPolarHBondContact CG-OE1 3.43Å; K167-E624 IonicContact NZ-OE1 3.04Å; K167-E624 PolarHBondContact NZ-OE1 3.16Å; S171-E624 WeakPolarHBondContact CB-OE2 3.42Å; G597-E624 CarbonylContact C-O 3.6Å; G597-E624 WeakPolarHBondContact CA-O 3.48Å; G598-E624 PolarHBondContact N-O 2.92Å; C622-E624 PolarHBondContact SG-O 3.08Å; E624-F626 HydrophobicContact CG-CB 4.47Å; E624-F626 HydrophobicContact CG-CD1 4.42Å; E624-Q634 PolarHBondContact OE2-NE2 2.81Å
625	L	95.1	Very high	95.1	Very high	22 Å²	22	23.8 Å²	23.8	12%	0.115	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-99.9	119.4	166.2	-174.8	66.4	0	0	0	108.6	L155 M159 V161 Y600	L155-L625 HydrophobicContact CD1-CD2 3.67Å; M159-L625 HydrophobicContact CE-CD1 3.46Å; M159-L625 VanDerWaalsContact CE-CD1 3.46Å; M159-L625 HydrophobicContact CE-CD2 3.71Å; M159-L625 HydrophobicContact CE-CG 4.2Å; V161-L625 HydrophobicContact CG1-CB 3.79Å; V161-L625 HydrophobicContact CG1-CD2 4.31Å; Y600-L625 HydrophobicContact CD2-CD2 4.35Å; Y600-L625 HydrophobicContact CE1-CD2 4.44Å; Y600-L625 HydrophobicContact CE2-CD2 3.63Å; Y600-L625 HydrophobicContact CE2-CG 4.42Å
626	F	94.3	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.			trans	-126.3	157.1	-178.6	58	-122.1	0	0	0	112.1	P269 H281 G598 E624 Q630 F631	P269-F626 HydrophobicContact CB-CE2 3.74Å; P269-F626 HydrophobicContact CB-CZ 4.29Å; P269-F626 HydrophobicContact CG-CE2 4.04Å; P269-F626 HydrophobicContact CG-CZ 4.21Å; H281-F626 PolarHBondContact CE1-O 3.35Å; H281-F626 VanDerWaalsContact CE1-O 3.27Å; G598-F626 PolarHBondContact O-N 3.08Å; G598-F626 VanDerWaalsContact O-N 3.08Å; E624-F626 HydrophobicContact CG-CB 4.47Å; E624-F626 HydrophobicContact CG-CD1 4.42Å; F626-Q630 VanDerWaalsContact CA-OE1 3.28Å; F626-Q630 HydrophobicContact CB-CB 3.92Å; F626-F631 HydrophobicContact CD1-CD2 4.37Å; F626-F631 HydrophobicContact CD2-CB 3.75Å; F626-F631 HydrophobicContact CD2-CD2 4.44Å; F626-F631 HydrophobicContact CD2-CG 4.26Å; F626-F631 AromaticContact CE1-CD2 3.81Å; F626-F631 HydrophobicContact CE1-CD2 3.81Å; F626-F631 HydrophobicContact CE1-CE2 4.33Å; F626-F631 HydrophobicContact CE2-CB 3.88Å; F626-F631 AromaticContact CE2-CD2 3.98Å; F626-F631 HydrophobicContact CE2-CD2 3.98Å; F626-F631 AromaticContact CE2-CG 3.89Å; F626-F631 HydrophobicContact CE2-CG 3.89Å; F626-F631 HydrophobicContact CG-CB 4.26Å; F626-F631 HydrophobicContact CZ-CB 4.38Å; F626-F631 AromaticContact CZ-CD2 3.61Å; F626-F631 HydrophobicContact CZ-CD2 3.61Å; F626-F631 HydrophobicContact CZ-CE2 4.08Å; F626-F631 HydrophobicContact CZ-CG 4Å
627	N	94.8	Very high	95.9	Very high	21 Å²	21	21.9 Å²	21.9	11%	0.112	11%	0.108	C	C	.	.			trans	-97	176.4	164.5	66.4	14.9	0	0	0	111	H281 T629 Q630 F631	H281-N627 PolarHBondContact CE1-N 3.46Å; H281-N627 WeakPolarHBondContact O-CB 3.45Å; H281-N627 PolarHBondContact O-ND2 3.44Å; H281-N627 VanDerWaalsContact O-ND2 3.11Å; N627-T629 VanDerWaalsContact C-N 3.3Å; N627-T629 PolarHBondContact O-N 3.12Å; N627-T629 PolarHBondContact OD1-N 3.16Å; N627-Q630 PolarHBondContact O-N 2.96Å; N627-Q630 WeakPolarHBondContact OD1-CB 3.46Å; N627-Q630 VanDerWaalsContact OD1-CG 3.29Å; N627-Q630 WeakPolarHBondContact OD1-CG 3.5Å; N627-Q630 PolarHBondContact OD1-N 3.31Å; N627-F631 PolarHBondContact O-N 2.87Å
628	A	95.4	Very high	96	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-38.8	-175.9	0	0	0	0	0	112.3	P269 D282 F631 I632	P269-A628 WeakPolarHBondContact O-CA 3.49Å; P269-A628 WeakPolarHBondContact O-CB 3.46Å; D282-A628 WeakPolarHBondContact OD1-CB 3.5Å; A628-F631 PolarHBondContact O-N 2.99Å; A628-I632 WeakPolarHBondContact O-CB 3.28Å; A628-I632 PolarHBondContact O-N 3.03Å
629	T	95.2	Very high	95.9	Very high	56 Å²	56	18 Å²	18	34%	0.344	9%	0.091	S	C	.	.	H	α-helix	trans	-58.5	-49.7	176.1	-54.5	0	0	0	0	112.1	E450 N627 F631 I632 K633	E450-T629 WeakPolarHBondContact OE1-CA 3.07Å; E450-T629 VanDerWaalsContact OE1-CB 3.23Å; E450-T629 WeakPolarHBondContact OE1-CB 3.18Å; E450-T629 PolarHBondContact OE1-N 3.37Å; E450-T629 PolarHBondContact OE1-OG1 3.48Å; E450-T629 WeakPolarHBondContact OE2-CG2 3.44Å; N627-T629 VanDerWaalsContact C-N 3.3Å; N627-T629 PolarHBondContact O-N 3.12Å; N627-T629 PolarHBondContact OD1-N 3.16Å; T629-F631 VanDerWaalsContact C-N 3.32Å; T629-F631 PolarHBondContact O-N 3.42Å; T629-I632 PolarHBondContact O-N 3.23Å; T629-K633 PolarHBondContact O-N 3.35Å
630	Q	95.5	Very high	95.6	Very high	43 Å²	43	23.2 Å²	23.2	20%	0.201	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-41.1	178	-72.9	172.2	-5.9	0	0	111.1	H287 F626 N627 K633 Q634	H287-Q630 PolarHBondContact NE2-NE2 2.95Å; F626-Q630 VanDerWaalsContact CA-OE1 3.28Å; F626-Q630 HydrophobicContact CB-CB 3.92Å; N627-Q630 PolarHBondContact O-N 2.96Å; N627-Q630 WeakPolarHBondContact OD1-CB 3.46Å; N627-Q630 VanDerWaalsContact OD1-CG 3.29Å; N627-Q630 WeakPolarHBondContact OD1-CG 3.5Å; N627-Q630 PolarHBondContact OD1-N 3.31Å; Q630-K633 WeakPolarHBondContact O-CB 3.41Å; Q630-K633 PolarHBondContact O-N 2.97Å; Q630-Q634 WeakPolarHBondContact O-CG 3.44Å; Q630-Q634 PolarHBondContact O-N 3.39Å; Q630-Q634 VanDerWaalsContact O-N 3.15Å
631	F	96.8	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-43.3	178.7	-170.9	-124.3	0	0	0	112.8	Y172 R262 L266 P269 L270 F626 N627 A628 T629 K633 Q634 L635	Y172-F631 AromaticContact CD1-CE2 3.84Å; Y172-F631 HydrophobicContact CD1-CE2 3.84Å; Y172-F631 HydrophobicContact CD1-CZ 4.39Å; Y172-F631 HydrophobicContact CE1-CE2 4.43Å; Y172-F631 AromaticContact CG-CE2 3.96Å; Y172-F631 HydrophobicContact CG-CE2 3.96Å; R262-F631 HydrophobicContact CG-CE2 4.35Å; R262-F631 HydrophobicContact CG-CZ 4.42Å; L266-F631 HydrophobicContact CD2-CZ 4.06Å; P269-F631 HydrophobicContact CB-CD1 3.41Å; P269-F631 VanDerWaalsContact CB-CD1 3.41Å; P269-F631 HydrophobicContact CB-CE1 3.67Å; P269-F631 HydrophobicContact CB-CG 4.06Å; P269-F631 HydrophobicContact CG-CD1 4.33Å; P269-F631 HydrophobicContact CG-CE1 4.17Å; L270-F631 HydrophobicContact CD2-CD1 3.78Å; L270-F631 HydrophobicContact CD2-CE1 4.32Å; L270-F631 HydrophobicContact CG-CD1 4.13Å; L270-F631 HydrophobicContact CG-CE1 4.31Å; F626-F631 HydrophobicContact CD1-CD2 4.37Å; F626-F631 HydrophobicContact CD2-CB 3.75Å; F626-F631 HydrophobicContact CD2-CD2 4.44Å; F626-F631 HydrophobicContact CD2-CG 4.26Å; F626-F631 AromaticContact CE1-CD2 3.81Å; F626-F631 HydrophobicContact CE1-CD2 3.81Å; F626-F631 HydrophobicContact CE1-CE2 4.33Å; F626-F631 HydrophobicContact CE2-CB 3.88Å; F626-F631 AromaticContact CE2-CD2 3.98Å; F626-F631 HydrophobicContact CE2-CD2 3.98Å; F626-F631 AromaticContact CE2-CG 3.89Å; F626-F631 HydrophobicContact CE2-CG 3.89Å; F626-F631 HydrophobicContact CG-CB 4.26Å; F626-F631 HydrophobicContact CZ-CB 4.38Å; F626-F631 AromaticContact CZ-CD2 3.61Å; F626-F631 HydrophobicContact CZ-CD2 3.61Å; F626-F631 HydrophobicContact CZ-CE2 4.08Å; F626-F631 HydrophobicContact CZ-CG 4Å; N627-F631 PolarHBondContact O-N 2.87Å; A628-F631 PolarHBondContact O-N 2.99Å; T629-F631 VanDerWaalsContact C-N 3.32Å; T629-F631 PolarHBondContact O-N 3.42Å; F631-K633 VanDerWaalsContact C-N 3.25Å; F631-K633 PolarHBondContact O-N 3.47Å; F631-Q634 WeakPolarHBondContact O-CB 2.94Å; F631-Q634 PolarHBondContact O-N 2.95Å; F631-Q634 VanDerWaalsContact O-N 3.08Å; F631-L635 HydrophobicContact CD1-CD1 4.09Å; F631-L635 HydrophobicContact CD1-CG 4.46Å; F631-L635 HydrophobicContact CE1-CD1 3.79Å; F631-L635 HydrophobicContact CE1-CD2 4.33Å; F631-L635 HydrophobicContact CE1-CG 4.18Å; F631-L635 HydrophobicContact CE2-CD2 4.28Å; F631-L635 HydrophobicContact CE2-CG 4.45Å; F631-L635 HydrophobicContact CZ-CD1 4.21Å; F631-L635 HydrophobicContact CZ-CD2 3.9Å; F631-L635 HydrophobicContact CZ-CG 4.15Å; F631-L635 WeakPolarHBondContact O-CG 3.37Å; F631-L635 PolarHBondContact O-N 3.36Å
632	I	96.9	Very high	93.7	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.092	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-39.6	173.7	-80.3	-176.9	0	0	0	111.5	L270 E450 M453 R454 P488 A628 T629 Q634 L635 S636	L270-I632 HydrophobicContact CD2-CD1 4.04Å; L270-I632 HydrophobicContact CD2-CG1 3.54Å; E450-I632 HydrophobicContact CG-CD1 3.8Å; M453-I632 HydrophobicContact CG-CD1 4.47Å; R454-I632 HydrophobicContact CB-CD1 4.34Å; R454-I632 HydrophobicContact CG-CD1 3.24Å; R454-I632 HydrophobicContact CG-CG1 4.45Å; P488-I632 HydrophobicContact CG-CG2 4.11Å; A628-I632 WeakPolarHBondContact O-CB 3.28Å; A628-I632 PolarHBondContact O-N 3.03Å; T629-I632 PolarHBondContact O-N 3.23Å; I632-Q634 VanDerWaalsContact C-N 3.33Å; I632-Q634 PolarHBondContact O-N 2.87Å; I632-L635 PolarHBondContact O-N 3.26Å; I632-S636 WeakPolarHBondContact O-CB 3.34Å; I632-S636 PolarHBondContact O-N 2.97Å
633	K	96.4	Very high	93.5	Very high	121 Å²	121	38.4 Å²	38.4	53%	0.526	18%	0.182	S	C	.	.	H	α-helix	trans	-60.9	-43.5	175.6	-174.3	-175.3	176.3	-168.2	0	111.4	T629 Q630 F631 S636 Q637	T629-K633 PolarHBondContact O-N 3.35Å; Q630-K633 WeakPolarHBondContact O-CB 3.41Å; Q630-K633 PolarHBondContact O-N 2.97Å; F631-K633 VanDerWaalsContact C-N 3.25Å; F631-K633 PolarHBondContact O-N 3.47Å; K633-S636 WeakPolarHBondContact O-CB 3.48Å; K633-S636 PolarHBondContact O-N 3.41Å; K633-Q637 WeakPolarHBondContact O-CG 3.48Å; K633-Q637 PolarHBondContact O-N 3.22Å
634	Q	96.4	Very high	93.3	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-46.4	175.1	-66.9	-175	30.5	0	0	111.4	Y172 R173 E624 Q630 F631 I632 S636 Q637 L638	Y172-Q634 VanDerWaalsContact CB-OE1 3.32Å; Y172-Q634 VanDerWaalsContact N-OE1 3.08Å; R173-Q634 HydrophobicContact CB-CB 4.05Å; R173-Q634 HydrophobicContact CB-CG 4.23Å; E624-Q634 PolarHBondContact OE2-NE2 2.81Å; Q630-Q634 WeakPolarHBondContact O-CG 3.44Å; Q630-Q634 PolarHBondContact O-N 3.39Å; Q630-Q634 VanDerWaalsContact O-N 3.15Å; F631-Q634 WeakPolarHBondContact O-CB 2.94Å; F631-Q634 PolarHBondContact O-N 2.95Å; F631-Q634 VanDerWaalsContact O-N 3.08Å; I632-Q634 VanDerWaalsContact C-N 3.33Å; I632-Q634 PolarHBondContact O-N 2.87Å; Q634-S636 VanDerWaalsContact C-N 3.34Å; Q634-S636 PolarHBondContact O-N 2.89Å; Q634-Q637 PolarHBondContact O-N 3.5Å; Q634-L638 WeakPolarHBondContact O-CG 3.47Å; Q634-L638 PolarHBondContact O-N 2.99Å
635	L	96.9	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-40.1	175.9	-63.2	179	0	0	0	112.4	Y172 L270 L457 P488 Y491 I492 F631 I632 Q637 L638 G639	Y172-L635 HydrophobicContact CD1-CD2 4.24Å; Y172-L635 HydrophobicContact CE1-CD2 3.87Å; L270-L635 HydrophobicContact CD2-CD1 4.34Å; L457-L635 HydrophobicContact CD1-CD1 4.26Å; P488-L635 HydrophobicContact CB-CB 3.99Å; Y491-L635 HydrophobicContact CD1-CD2 3.74Å; Y491-L635 HydrophobicContact CE1-CD2 3.93Å; I492-L635 HydrophobicContact CD1-CD1 4.15Å; I492-L635 HydrophobicContact CD1-CD2 4.18Å; I492-L635 HydrophobicContact CG1-CD1 4.28Å; F631-L635 HydrophobicContact CD1-CD1 4.09Å; F631-L635 HydrophobicContact CD1-CG 4.46Å; F631-L635 HydrophobicContact CE1-CD1 3.79Å; F631-L635 HydrophobicContact CE1-CD2 4.33Å; F631-L635 HydrophobicContact CE1-CG 4.18Å; F631-L635 HydrophobicContact CE2-CD2 4.28Å; F631-L635 HydrophobicContact CE2-CG 4.45Å; F631-L635 HydrophobicContact CZ-CD1 4.21Å; F631-L635 HydrophobicContact CZ-CD2 3.9Å; F631-L635 HydrophobicContact CZ-CG 4.15Å; F631-L635 WeakPolarHBondContact O-CG 3.37Å; F631-L635 PolarHBondContact O-N 3.36Å; I632-L635 PolarHBondContact O-N 3.26Å; L635-Q637 VanDerWaalsContact C-N 3.34Å; L635-Q637 PolarHBondContact O-N 3.45Å; L635-L638 PolarHBondContact O-N 3.08Å; L635-G639 PolarHBondContact O-N 3.1Å
636	S	96.6	Very high	93.2	Very high	13 Å²	13	44.2 Å²	44.2	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.9	172.3	0	0	0	0	111.3	N485 N487 I632 K633 Q634 L638 G639 Q640	N485-S636 PolarHBondContact ND2-OG 3.38Å; N487-S636 VanDerWaalsContact CB-O 3.24Å; N487-S636 WeakPolarHBondContact CB-O 3.4Å; I632-S636 WeakPolarHBondContact O-CB 3.34Å; I632-S636 PolarHBondContact O-N 2.97Å; K633-S636 WeakPolarHBondContact O-CB 3.48Å; K633-S636 PolarHBondContact O-N 3.41Å; Q634-S636 VanDerWaalsContact C-N 3.34Å; Q634-S636 PolarHBondContact O-N 2.89Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-G639 PolarHBondContact O-N 3.29Å; S636-Q640 WeakPolarHBondContact O-CG 3.43Å; S636-Q640 PolarHBondContact O-N 2.87Å
637	Q	95.4	Very high	93.1	Very high	53 Å²	53	47.1 Å²	47.1	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-37	179	-72.9	171.4	-28.7	0	0	111.9	K633 Q634 L635 G639 Q640	K633-Q637 WeakPolarHBondContact O-CG 3.48Å; K633-Q637 PolarHBondContact O-N 3.22Å; Q634-Q637 PolarHBondContact O-N 3.5Å; L635-Q637 VanDerWaalsContact C-N 3.34Å; L635-Q637 PolarHBondContact O-N 3.45Å; Q637-G639 VanDerWaalsContact C-N 3.28Å; Q637-G639 PolarHBondContact O-N 2.97Å; Q637-Q640 PolarHBondContact O-N 2.87Å
638	L	94.9	Very high	93	Very high	15 Å²	15	49 Å²	49	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-26.9	174.2	-69	170.1	0	0	0	113	Y172 R173 N176 R177 Y491 Q634 L635 S636	Y172-L638 HydrophobicContact CD1-CD1 3.8Å; Y172-L638 HydrophobicContact CE1-CD1 3.81Å; R173-L638 HydrophobicContact CB-CD1 4.48Å; R173-L638 HydrophobicContact CB-CD2 4.4Å; R173-L638 HydrophobicContact CB-CG 4.27Å; R173-L638 HydrophobicContact CG-CD2 4Å; R173-L638 HydrophobicContact CG-CG 4.17Å; N176-L638 HydrophobicContact CB-CD1 4.24Å; N176-L638 HydrophobicContact CB-CD2 4.37Å; R177-L638 HydrophobicContact CB-CD2 4.04Å; Y491-L638 HydrophobicContact CD1-CB 4.37Å; Y491-L638 HydrophobicContact CD1-CD1 4.35Å; Y491-L638 HydrophobicContact CD2-CB 3.42Å; Y491-L638 VanDerWaalsContact CD2-CB 3.42Å; Y491-L638 HydrophobicContact CD2-CD1 4.32Å; Y491-L638 HydrophobicContact CD2-CG 4.42Å; Y491-L638 HydrophobicContact CE1-CD1 3.91Å; Y491-L638 HydrophobicContact CE2-CB 3.68Å; Y491-L638 HydrophobicContact CE2-CD1 3.87Å; Y491-L638 HydrophobicContact CE2-CD2 4.45Å; Y491-L638 HydrophobicContact CE2-CG 4.22Å; Y491-L638 HydrophobicContact CG-CB 3.78Å; Q634-L638 WeakPolarHBondContact O-CG 3.47Å; Q634-L638 PolarHBondContact O-N 2.99Å; L635-L638 PolarHBondContact O-N 3.08Å; S636-L638 VanDerWaalsContact C-N 3.35Å
639	G	92.8	Very high	92.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-82.5	-11.7	176.5	0	0	0	0	0	114.8	N487 Q490 L635 S636 Q637 K641	N487-G639 WeakPolarHBondContact O-CA 3.43Å; Q490-G639 VanDerWaalsContact CD-O 3.31Å; Q490-G639 PolarHBondContact NE2-O 2.95Å; L635-G639 PolarHBondContact O-N 3.1Å; S636-G639 PolarHBondContact O-N 3.29Å; Q637-G639 VanDerWaalsContact C-N 3.28Å; Q637-G639 PolarHBondContact O-N 2.97Å; G639-K641 PolarHBondContact O-N 3.49Å
640	Q	89.8	Confident	92.6	Very high	116 Å²	116	52.3 Å²	52.3	54%	0.542	24%	0.239	S	C	.	.			trans	-67.3	130.2	174.8	-75.5	170	-5.3	0	0	109.4	N487 S636 Q637	N487-Q640 WeakPolarHBondContact ND2-CG 3.39Å; S636-Q640 WeakPolarHBondContact O-CG 3.43Å; S636-Q640 PolarHBondContact O-N 2.87Å; Q637-Q640 PolarHBondContact O-N 2.87Å
641	K	62.8	Low	92.3	Very high	244 Å²	244	53.2 Å²	53.2	100%	1.061	24%	0.242	S	C	*	.			trans	-96.5	0	172.8	-87.3	178.2	176.6	-174.5	0	110.7	Q490 G639	Q490-K641 VanDerWaalsContact NE2-CE 3.3Å; G639-K641 PolarHBondContact O-N 3.49Å

Retrieved 641 of 641 residues in 137.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).