A0A5K4F5X3_SCHMA Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5X3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 705 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	31.3	Very low	49.2	Very low	242 Å²	242	94.5 Å²	94.5	100%	1.192	53%	0.53	S	S	*	.				0	85.5	0	-77.8	-177.1	-176.8	0	0	109.2
2	N	37.4	Very low	50.8	Low	124 Å²	124	97 Å²	97	66%	0.663	54%	0.535	S	S	*	.			trans	48.5	105.2	148.8	-60.7	1.9	0	0	0	118.7	L4	N2-L4 HydrophobicContact CB-CB 4.37Å; N2-L4 HydrophobicContact CB-CD1 4.2Å; N2-L4 PolarHBondContact O-N 3.27Å
3	S	42.3	Very low	52.2	Low	98 Å²	98	95.5 Å²	95.5	69%	0.685	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-46.2	-7.7	160	47.6	0	0	0	0	115.9	Y5 S6	S3-Y5 VanDerWaalsContact C-N 3.28Å; S3-Y5 PolarHBondContact O-N 3.28Å; S3-S6 PolarHBondContact O-N 3.06Å; S3-S6 PolarHBondContact O-OG 2.84Å
4	L	37.9	Very low	53.5	Low	113 Å²	113	88.9 Å²	88.9	59%	0.592	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-60.3	-30.5	-176.2	-89.7	150.3	0	0	0	114	N2 A7	N2-L4 HydrophobicContact CB-CB 4.37Å; N2-L4 HydrophobicContact CB-CD1 4.2Å; N2-L4 PolarHBondContact O-N 3.27Å; L4-A7 WeakPolarHBondContact O-CB 3.3Å
5	Y	43.2	Very low	54.7	Low	71 Å²	71	94.3 Å²	94.3	28%	0.278	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-108	0.1	-175.3	-65.3	-68.2	0	0	0	115.3	S3 A7 Y10 F122 L125	S3-Y5 VanDerWaalsContact C-N 3.28Å; S3-Y5 PolarHBondContact O-N 3.28Å; Y5-A7 VanDerWaalsContact C-N 3.28Å; Y5-Y10 HydrophobicContact CD1-CD1 4.2Å; Y5-Y10 AromaticContact CD1-CD2 3.98Å; Y5-Y10 HydrophobicContact CD1-CD2 3.98Å; Y5-Y10 HydrophobicContact CD1-CE1 4.22Å; Y5-Y10 HydrophobicContact CD1-CE2 4.03Å; Y5-Y10 HydrophobicContact CD1-CG 4.06Å; Y5-Y10 AromaticContact CE1-CD2 3.89Å; Y5-Y10 HydrophobicContact CE1-CD2 3.89Å; Y5-Y10 HydrophobicContact CE1-CE1 4.3Å; Y5-Y10 AromaticContact CE1-CE2 3.55Å; Y5-Y10 HydrophobicContact CE1-CE2 3.55Å; Y5-Y10 HydrophobicContact CE1-CG 4.41Å; Y5-Y10 AromaticContact CE1-CZ 3.77Å; Y5-F122 AromaticContact CD1-CD2 3.55Å; Y5-F122 HydrophobicContact CD1-CD2 3.55Å; Y5-F122 HydrophobicContact CD1-CE2 4.16Å; Y5-F122 HydrophobicContact CE1-CD2 4.39Å; Y5-F122 HydrophobicContact CG-CD2 4.1Å; Y5-F122 WeakPolarHBondContact O-CE2 3.42Å; Y5-L125 HydrophobicContact CD2-CD1 3.33Å; Y5-L125 HydrophobicContact CE2-CD1 3.39Å; Y5-L125 HydrophobicContact CG-CD1 4.06Å
6	S	48.5	Very low	55.7	Low	97 Å²	97	94.1 Å²	94.1	68%	0.678	51%	0.512	S	S	*	.	S	Bend	trans	-87.5	-3.7	160.7	50.3	0	0	0	0	112.4	S3	S3-S6 PolarHBondContact O-N 3.06Å; S3-S6 PolarHBondContact O-OG 2.84Å
7	A	50.4	Low	56.6	Low	22 Å²	22	93.4 Å²	93.4	18%	0.182	51%	0.508	C	S	.	.			trans	-71.3	131.1	-168.5	0	0	0	0	0	111.6	L4 Y5 N9 Y10	L4-A7 WeakPolarHBondContact O-CB 3.3Å; Y5-A7 VanDerWaalsContact C-N 3.28Å; A7-N9 HydrophobicContact CB-CB 4.01Å; A7-N9 PolarHBondContact O-N 2.83Å; A7-N9 VanDerWaalsContact O-N 3.08Å; A7-Y10 PolarHBondContact O-N 3.45Å; A7-Y10 VanDerWaalsContact O-N 3.09Å
8	P	55.7	Low	57.4	Low	93 Å²	93	89.2 Å²	89.2	60%	0.604	49%	0.485	S	S	*	.	H	α-helix	trans	-44.9	-34.9	161.6	-25.9	33.7	0	0	0	111.8	Y10 C11 Q12	P8-Y10 PolarHBondContact O-N 3.49Å; P8-C11 PolarHBondContact O-N 3.39Å; P8-Q12 WeakPolarHBondContact O-CG 3.21Å; P8-Q12 PolarHBondContact O-N 2.67Å
9	N	60	Low	58.4	Low	105 Å²	105	92.4 Å²	92.4	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-55.5	-45.3	178.8	-59.1	8.2	0	0	0	112.8	A7 C11 Q12 T13	A7-N9 HydrophobicContact CB-CB 4.01Å; A7-N9 PolarHBondContact O-N 2.83Å; A7-N9 VanDerWaalsContact O-N 3.08Å; N9-C11 VanDerWaalsContact C-N 3.34Å; N9-C11 PolarHBondContact O-N 3.08Å; N9-Q12 WeakPolarHBondContact O-CB 3.27Å; N9-Q12 PolarHBondContact O-N 3.1Å; N9-Q12 VanDerWaalsContact O-N 3.12Å; N9-T13 PolarHBondContact O-N 2.84Å; N9-T13 PolarHBondContact O-OG1 3.02Å
10	Y	67.6	Low	59.3	Low	37 Å²	37	94.6 Å²	94.6	15%	0.145	50%	0.503	C	S	.	.	H	α-helix	trans	-68.6	-36	-178.5	-166.5	-99.9	0	0	0	112	Y5 A7 P8 Q12 T13 I14 N118 F122	Y5-Y10 HydrophobicContact CD1-CD1 4.2Å; Y5-Y10 AromaticContact CD1-CD2 3.98Å; Y5-Y10 HydrophobicContact CD1-CD2 3.98Å; Y5-Y10 HydrophobicContact CD1-CE1 4.22Å; Y5-Y10 HydrophobicContact CD1-CE2 4.03Å; Y5-Y10 HydrophobicContact CD1-CG 4.06Å; Y5-Y10 AromaticContact CE1-CD2 3.89Å; Y5-Y10 HydrophobicContact CE1-CD2 3.89Å; Y5-Y10 HydrophobicContact CE1-CE1 4.3Å; Y5-Y10 AromaticContact CE1-CE2 3.55Å; Y5-Y10 HydrophobicContact CE1-CE2 3.55Å; Y5-Y10 HydrophobicContact CE1-CG 4.41Å; Y5-Y10 AromaticContact CE1-CZ 3.77Å; A7-Y10 PolarHBondContact O-N 3.45Å; A7-Y10 VanDerWaalsContact O-N 3.09Å; P8-Y10 PolarHBondContact O-N 3.49Å; Y10-Q12 VanDerWaalsContact C-N 3.31Å; Y10-T13 PolarHBondContact O-N 3.41Å; Y10-I14 HydrophobicContact CD1-CD1 3.73Å; Y10-I14 HydrophobicContact CD1-CG1 4.43Å; Y10-I14 HydrophobicContact CE1-CD1 3.24Å; Y10-I14 HydrophobicContact CE1-CG1 4.15Å; Y10-I14 WeakPolarHBondContact O-CG1 3.29Å; Y10-I14 PolarHBondContact O-N 3.32Å; Y10-N118 VanDerWaalsContact OH-C 3.22Å; Y10-N118 WeakPolarHBondContact OH-CB 3.45Å; Y10-N118 PolarHBondContact OH-O 3.28Å; Y10-F122 HydrophobicContact CD1-CD1 4.5Å; Y10-F122 AromaticContact CD1-CD2 3.37Å; Y10-F122 HydrophobicContact CD1-CD2 3.37Å; Y10-F122 AromaticContact CD1-CE2 3.39Å; Y10-F122 HydrophobicContact CD1-CE2 3.39Å; Y10-F122 AromaticContact CD1-CG 3.92Å; Y10-F122 HydrophobicContact CD1-CG 3.92Å; Y10-F122 HydrophobicContact CD1-CZ 4.02Å; Y10-F122 HydrophobicContact CE1-CB 3.63Å; Y10-F122 HydrophobicContact CE1-CD1 4.17Å; Y10-F122 AromaticContact CE1-CD2 3.3Å; Y10-F122 HydrophobicContact CE1-CD2 3.3Å; Y10-F122 AromaticContact CE1-CE2 3.84Å; Y10-F122 HydrophobicContact CE1-CE2 3.84Å; Y10-F122 AromaticContact CE1-CG 3.45Å; Y10-F122 HydrophobicContact CE1-CG 3.45Å; Y10-F122 VanDerWaalsContact CE1-CG 3.45Å; Y10-F122 HydrophobicContact CE1-CZ 4.49Å; Y10-F122 HydrophobicContact CG-CD2 4.34Å; Y10-F122 HydrophobicContact CG-CE2 4.26Å
11	C	67.4	Low	60.2	Low	37 Å²	37	96.9 Å²	96.9	25%	0.25	51%	0.505	C	S	.	.	H	α-helix	trans	-68.5	-32.3	173	-65.9	0	0	0	0	111.7	P8 N9 R15	P8-C11 PolarHBondContact O-N 3.39Å; N9-C11 VanDerWaalsContact C-N 3.34Å; N9-C11 PolarHBondContact O-N 3.08Å; C11-R15 VanDerWaalsContact O-CB 3.29Å; C11-R15 WeakPolarHBondContact O-CB 3.21Å; C11-R15 PolarHBondContact O-N 2.97Å
12	Q	68.4	Low	62.3	Low	125 Å²	125	85.5 Å²	85.5	58%	0.584	45%	0.45	S	S	*	.	H	α-helix	trans	-67.4	-45.2	173.3	-73.4	170.8	-21	0	0	111.3	P8 N9 Y10 I14 R15 S16	P8-Q12 WeakPolarHBondContact O-CG 3.21Å; P8-Q12 PolarHBondContact O-N 2.67Å; N9-Q12 WeakPolarHBondContact O-CB 3.27Å; N9-Q12 PolarHBondContact O-N 3.1Å; N9-Q12 VanDerWaalsContact O-N 3.12Å; Y10-Q12 VanDerWaalsContact C-N 3.31Å; Q12-I14 VanDerWaalsContact C-N 3.32Å; Q12-I14 PolarHBondContact O-N 3.42Å; Q12-R15 WeakPolarHBondContact O-CB 3.2Å; Q12-R15 PolarHBondContact O-N 3.46Å; Q12-R15 VanDerWaalsContact O-N 3.12Å; Q12-S16 PolarHBondContact O-N 3.23Å
13	T	68.8	Low	64.4	Low	77 Å²	77	81.6 Å²	81.6	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-35.5	176.2	-46.9	0	0	0	0	112.5	N9 Y10 S16 N17	N9-T13 PolarHBondContact O-N 2.84Å; N9-T13 PolarHBondContact O-OG1 3.02Å; Y10-T13 PolarHBondContact O-N 3.41Å; T13-S16 PolarHBondContact O-OG 3.29Å; T13-N17 PolarHBondContact O-ND2 3.09Å
14	I	70.5	Confident	66.2	Low	4 Å²	4	82.2 Å²	82.2	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-73	-36.1	173.8	-71.3	178	0	0	0	111.1	Y10 Q12 S16 N17 L18 F23 F26 I119	Y10-I14 HydrophobicContact CD1-CD1 3.73Å; Y10-I14 HydrophobicContact CD1-CG1 4.43Å; Y10-I14 HydrophobicContact CE1-CD1 3.24Å; Y10-I14 HydrophobicContact CE1-CG1 4.15Å; Y10-I14 WeakPolarHBondContact O-CG1 3.29Å; Y10-I14 PolarHBondContact O-N 3.32Å; Q12-I14 VanDerWaalsContact C-N 3.32Å; Q12-I14 PolarHBondContact O-N 3.42Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.96Å; I14-N17 PolarHBondContact O-N 3.27Å; I14-N17 VanDerWaalsContact O-N 3.11Å; I14-L18 HydrophobicContact CG2-CD1 3.36Å; I14-L18 HydrophobicContact CG2-CG 3.94Å; I14-L18 PolarHBondContact O-N 2.77Å; I14-L18 VanDerWaalsContact O-N 3.1Å; I14-F23 HydrophobicContact CG2-CD2 4.48Å; I14-F26 HydrophobicContact CB-CE1 4.23Å; I14-F26 HydrophobicContact CB-CZ 4.48Å; I14-F26 HydrophobicContact CD1-CE1 3.91Å; I14-F26 HydrophobicContact CD1-CE2 3.85Å; I14-F26 HydrophobicContact CD1-CZ 3.32Å; I14-F26 HydrophobicContact CG1-CZ 4.47Å; I14-F26 HydrophobicContact CG2-CD1 3.89Å; I14-F26 HydrophobicContact CG2-CE1 3.74Å; I14-F26 HydrophobicContact CG2-CE2 4.44Å; I14-F26 HydrophobicContact CG2-CG 4.29Å; I14-F26 HydrophobicContact CG2-CZ 4.08Å; I14-I119 HydrophobicContact CD1-CG1 3.83Å
15	R	70.8	Confident	68.3	Low	169 Å²	169	77.8 Å²	77.8	64%	0.638	39%	0.394	S	S	*	.	H	α-helix	trans	-63.5	-34.5	177.8	-171.6	174.9	179	163.6	0.3	112.4	C11 Q12 N17 F23	C11-R15 VanDerWaalsContact O-CB 3.29Å; C11-R15 WeakPolarHBondContact O-CB 3.21Å; C11-R15 PolarHBondContact O-N 2.97Å; Q12-R15 WeakPolarHBondContact O-CB 3.2Å; Q12-R15 PolarHBondContact O-N 3.46Å; Q12-R15 VanDerWaalsContact O-N 3.12Å; R15-N17 PolarHBondContact O-N 3.43Å; R15-F23 HydrophobicContact CB-CD2 3.91Å; R15-F23 HydrophobicContact CB-CE2 3.57Å; R15-F23 HydrophobicContact CB-CZ 3.99Å; R15-F23 HydrophobicContact CG-CD1 4.44Å; R15-F23 HydrophobicContact CG-CD2 4.14Å; R15-F23 HydrophobicContact CG-CE1 4.32Å; R15-F23 HydrophobicContact CG-CE2 4.02Å; R15-F23 HydrophobicContact CG-CG 4.35Å; R15-F23 HydrophobicContact CG-CZ 4.11Å
16	S	70.9	Confident	70.2	Confident	92 Å²	92	74.5 Å²	74.5	64%	0.643	38%	0.381	S	S	*	.	H	α-helix	trans	-70.3	-19.4	175.6	54.7	0	0	0	0	113.4	Q12 T13 I14	Q12-S16 PolarHBondContact O-N 3.23Å; T13-S16 PolarHBondContact O-OG 3.29Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.96Å
17	N	71.4	Confident	71.8	Confident	82 Å²	82	71.7 Å²	71.7	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-108.4	-5.7	-174.9	-68.8	-35.3	0	0	0	114.6	T13 I14 R15 I115	T13-N17 PolarHBondContact O-ND2 3.09Å; I14-N17 PolarHBondContact O-N 3.27Å; I14-N17 VanDerWaalsContact O-N 3.11Å; R15-N17 PolarHBondContact O-N 3.43Å; N17-I115 HydrophobicContact CB-CD1 3.31Å
18	L	71.2	Confident	73.4	Confident	18 Å²	18	73.8 Å²	73.8	9%	0.094	37%	0.37	C	S	.	.	S	Bend	trans	-120.1	137.3	-179	-70	-177.9	0	0	0	110.6	I14 F23 F26 T111	I14-L18 HydrophobicContact CG2-CD1 3.36Å; I14-L18 HydrophobicContact CG2-CG 3.94Å; I14-L18 PolarHBondContact O-N 2.77Å; I14-L18 VanDerWaalsContact O-N 3.1Å; L18-F23 HydrophobicContact CB-CB 4.33Å; L18-F26 HydrophobicContact CD1-CB 4.17Å; L18-F26 HydrophobicContact CD1-CG 4.36Å; L18-T111 HydrophobicContact CD2-CG2 4.42Å
19	E	75	Confident	74.8	Confident	150 Å²	150	69.8 Å²	69.8	70%	0.701	34%	0.343	S	S	*	.			trans	-58.9	157.4	167.2	-64.5	-177.4	170.1	0	0	111.9	Y21 S22 F23	E19-Y21 VanDerWaalsContact C-N 3.29Å; E19-Y21 PolarHBondContact O-N 3.04Å; E19-S22 WeakPolarHBondContact O-CB 3.32Å; E19-S22 PolarHBondContact O-N 2.87Å; E19-S22 VanDerWaalsContact O-N 3.1Å; E19-F23 PolarHBondContact O-N 3.38Å
20	E	77.5	Confident	76	Confident	136 Å²	136	65.8 Å²	65.8	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-56.6	-40	-171.7	-162.4	-166.7	147	0	0	113.1	K24	E20-K24 WeakPolarHBondContact O-CG 3.43Å; E20-K24 PolarHBondContact O-N 3.07Å; E20-K24 VanDerWaalsContact OE1-CE 3.25Å; E20-K24 WeakPolarHBondContact OE1-CE 3.35Å; E20-K24 IonicContact OE1-NZ 2.84Å; E20-K24 PolarHBondContact OE1-NZ 2.94Å
21	Y	77.4	Confident	76.8	Confident	142 Å²	142	70 Å²	70	56%	0.557	34%	0.34	S	S	*	.	H	α-helix	trans	-65.9	-47.3	177.7	-179.8	-105.8	0	0	0	112	E19 F23 K24 L25 I110	E19-Y21 VanDerWaalsContact C-N 3.29Å; E19-Y21 PolarHBondContact O-N 3.04Å; Y21-F23 VanDerWaalsContact C-N 3.31Å; Y21-F23 PolarHBondContact O-N 3.35Å; Y21-K24 WeakPolarHBondContact O-CB 3.46Å; Y21-K24 PolarHBondContact O-N 3.14Å; Y21-K24 VanDerWaalsContact O-N 3.15Å; Y21-L25 HydrophobicContact CD1-CD1 4.07Å; Y21-L25 HydrophobicContact CE1-CD1 3.52Å; Y21-L25 HydrophobicContact CE1-CG 4.34Å; Y21-L25 PolarHBondContact O-N 3.11Å; Y21-I110 HydrophobicContact CD1-CD1 4.36Å; Y21-I110 HydrophobicContact CE1-CD1 4.21Å
22	S	76	Confident	77.8	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-40.5	176.6	-56	0	0	0	0	111.7	E19 L25 F26 I110	E19-S22 WeakPolarHBondContact O-CB 3.32Å; E19-S22 PolarHBondContact O-N 2.87Å; E19-S22 VanDerWaalsContact O-N 3.1Å; S22-L25 PolarHBondContact O-N 3.16Å; S22-F26 WeakPolarHBondContact O-CB 3.27Å; S22-F26 PolarHBondContact O-N 3.25Å; S22-I110 WeakPolarHBondContact OG-CG2 3.34Å
23	F	80.5	Confident	78.7	Confident	43 Å²	43	62.7 Å²	62.7	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-37.3	175.1	-173.2	-101.5	0	0	0	112.4	I14 R15 L18 E19 Y21 F26 S27	I14-F23 HydrophobicContact CG2-CD2 4.48Å; R15-F23 HydrophobicContact CB-CD2 3.91Å; R15-F23 HydrophobicContact CB-CE2 3.57Å; R15-F23 HydrophobicContact CB-CZ 3.99Å; R15-F23 HydrophobicContact CG-CD1 4.44Å; R15-F23 HydrophobicContact CG-CD2 4.14Å; R15-F23 HydrophobicContact CG-CE1 4.32Å; R15-F23 HydrophobicContact CG-CE2 4.02Å; R15-F23 HydrophobicContact CG-CG 4.35Å; R15-F23 HydrophobicContact CG-CZ 4.11Å; L18-F23 HydrophobicContact CB-CB 4.33Å; E19-F23 PolarHBondContact O-N 3.38Å; Y21-F23 VanDerWaalsContact C-N 3.31Å; Y21-F23 PolarHBondContact O-N 3.35Å; F23-F26 HydrophobicContact CD2-CD1 4.32Å; F23-F26 HydrophobicContact CE2-CD1 4.3Å; F23-F26 PolarHBondContact O-N 2.91Å; F23-S27 VanDerWaalsContact O-CB 3.24Å; F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 2.62Å
24	K	81.4	Confident	79.6	Confident	111 Å²	111	64.5 Å²	64.5	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-43	172.8	-78.9	173.3	-173.9	161.4	0	111.5	E20 Y21 S27 N28	E20-K24 WeakPolarHBondContact O-CG 3.43Å; E20-K24 PolarHBondContact O-N 3.07Å; E20-K24 VanDerWaalsContact OE1-CE 3.25Å; E20-K24 WeakPolarHBondContact OE1-CE 3.35Å; E20-K24 IonicContact OE1-NZ 2.84Å; E20-K24 PolarHBondContact OE1-NZ 2.94Å; Y21-K24 WeakPolarHBondContact O-CB 3.46Å; Y21-K24 PolarHBondContact O-N 3.14Å; Y21-K24 VanDerWaalsContact O-N 3.15Å; K24-S27 PolarHBondContact O-N 2.94Å; K24-N28 WeakPolarHBondContact O-CB 3.36Å; K24-N28 PolarHBondContact O-N 3.27Å
25	L	82.2	Confident	80.6	Confident	20 Å²	20	70 Å²	70	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-45.6	175.1	-72.7	173.9	0	0	0	111.9	Y21 S22 S27 N28 R29 I103 I106 L107	Y21-L25 HydrophobicContact CD1-CD1 4.07Å; Y21-L25 HydrophobicContact CE1-CD1 3.52Å; Y21-L25 HydrophobicContact CE1-CG 4.34Å; Y21-L25 PolarHBondContact O-N 3.11Å; S22-L25 PolarHBondContact O-N 3.16Å; L25-S27 PolarHBondContact O-N 3.27Å; L25-N28 PolarHBondContact O-N 3.28Å; L25-R29 WeakPolarHBondContact O-CB 3.06Å; L25-R29 PolarHBondContact O-N 3.09Å; L25-I103 HydrophobicContact CB-CG2 4.36Å; L25-I106 HydrophobicContact CD1-CB 4.36Å; L25-I106 HydrophobicContact CD1-CG2 3.46Å; L25-I106 VanDerWaalsContact CD1-CG2 3.46Å; L25-L107 HydrophobicContact CB-CD2 4.11Å
26	F	83.3	Confident	81.6	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-46.4	174.3	177.1	-102.1	0	0	0	112	I14 L18 S22 F23 N28 R29 I30 I119 F122 F123	I14-F26 HydrophobicContact CB-CE1 4.23Å; I14-F26 HydrophobicContact CB-CZ 4.48Å; I14-F26 HydrophobicContact CD1-CE1 3.91Å; I14-F26 HydrophobicContact CD1-CE2 3.85Å; I14-F26 HydrophobicContact CD1-CZ 3.32Å; I14-F26 HydrophobicContact CG1-CZ 4.47Å; I14-F26 HydrophobicContact CG2-CD1 3.89Å; I14-F26 HydrophobicContact CG2-CE1 3.74Å; I14-F26 HydrophobicContact CG2-CE2 4.44Å; I14-F26 HydrophobicContact CG2-CG 4.29Å; I14-F26 HydrophobicContact CG2-CZ 4.08Å; L18-F26 HydrophobicContact CD1-CB 4.17Å; L18-F26 HydrophobicContact CD1-CG 4.36Å; S22-F26 WeakPolarHBondContact O-CB 3.27Å; S22-F26 PolarHBondContact O-N 3.25Å; F23-F26 HydrophobicContact CD2-CD1 4.32Å; F23-F26 HydrophobicContact CE2-CD1 4.3Å; F23-F26 PolarHBondContact O-N 2.91Å; F26-N28 VanDerWaalsContact C-N 3.33Å; F26-N28 PolarHBondContact O-N 3.3Å; F26-R29 WeakPolarHBondContact O-CB 3.37Å; F26-R29 PolarHBondContact O-N 2.71Å; F26-I30 HydrophobicContact CD1-CD1 3.6Å; F26-I30 HydrophobicContact CD1-CG1 4.45Å; F26-I30 HydrophobicContact CE1-CD1 3.16Å; F26-I30 HydrophobicContact CE1-CG1 4.13Å; F26-I30 HydrophobicContact CE2-CD1 4.34Å; F26-I30 HydrophobicContact CG-CD1 4.37Å; F26-I30 HydrophobicContact CZ-CD1 3.55Å; F26-I30 HydrophobicContact CZ-CG1 4.13Å; F26-I30 WeakPolarHBondContact O-CG1 3.31Å; F26-I30 PolarHBondContact O-N 3.37Å; F26-I119 HydrophobicContact CD2-CG2 4.26Å; F26-I119 HydrophobicContact CE2-CG1 4.21Å; F26-I119 HydrophobicContact CE2-CG2 4.03Å; F26-F122 HydrophobicContact CE2-CD1 4.25Å; F26-F122 HydrophobicContact CE2-CE1 4.5Å; F26-F122 AromaticContact CZ-CD1 3.92Å; F26-F122 HydrophobicContact CZ-CD1 3.92Å; F26-F122 AromaticContact CZ-CE1 3.82Å; F26-F122 HydrophobicContact CZ-CE1 3.82Å; F26-F123 AromaticContact CD2-CE1 3.83Å; F26-F123 HydrophobicContact CD2-CE1 3.83Å; F26-F123 HydrophobicContact CD2-CE2 4.46Å; F26-F123 AromaticContact CD2-CZ 3.44Å; F26-F123 HydrophobicContact CD2-CZ 3.44Å; F26-F123 VanDerWaalsContact CD2-CZ 3.44Å; F26-F123 AromaticContact CE2-CE1 3.52Å; F26-F123 HydrophobicContact CE2-CE1 3.52Å; F26-F123 AromaticContact CE2-CZ 3.53Å; F26-F123 HydrophobicContact CE2-CZ 3.53Å; F26-F123 HydrophobicContact CZ-CE1 4.37Å
27	S	80.8	Confident	82.6	Confident	38 Å²	38	59.7 Å²	59.7	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-38.5	176.5	-176.4	0	0	0	0	112.5	F23 K24 L25	F23-S27 VanDerWaalsContact O-CB 3.24Å; F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 2.62Å; K24-S27 PolarHBondContact O-N 2.94Å; L25-S27 PolarHBondContact O-N 3.27Å
28	N	84.3	Confident	83.6	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.353	27%	0.268	S	S	.	.	H	α-helix	trans	-66.1	-45.4	172.5	-80.9	-22.3	0	0	0	111.6	K24 L25 F26 I30 K31	K24-N28 WeakPolarHBondContact O-CB 3.36Å; K24-N28 PolarHBondContact O-N 3.27Å; L25-N28 PolarHBondContact O-N 3.28Å; F26-N28 VanDerWaalsContact C-N 3.33Å; F26-N28 PolarHBondContact O-N 3.3Å; N28-I30 VanDerWaalsContact C-N 3.31Å; N28-I30 PolarHBondContact O-N 3.23Å; N28-K31 PolarHBondContact O-N 3.47Å; N28-K31 VanDerWaalsContact O-N 3.17Å
29	R	85.9	Confident	84.6	Confident	10 Å²	10	61 Å²	61	4%	0.038	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-40.7	177	-177.7	53.3	173.1	92.6	-6.4	112.1	L25 F26 K31 L32 P33 V100 I103 D104 L107 F123 E127	L25-R29 WeakPolarHBondContact O-CB 3.06Å; L25-R29 PolarHBondContact O-N 3.09Å; F26-R29 WeakPolarHBondContact O-CB 3.37Å; F26-R29 PolarHBondContact O-N 2.71Å; R29-K31 PolarHBondContact O-N 3.21Å; R29-L32 PolarHBondContact O-N 2.91Å; R29-L32 VanDerWaalsContact O-N 3.17Å; R29-P33 WeakPolarHBondContact O-CD 3.24Å; R29-V100 VanDerWaalsContact NH2-CG1 3.33Å; R29-I103 HydrophobicContact CB-CG2 3.85Å; R29-I103 HydrophobicContact CG-CG2 4.38Å; R29-D104 WeakPolarHBondContact CD-OD1 3.48Å; R29-D104 IonicContact CZ-OD1 2.6Å; R29-D104 IonicContact CZ-OD2 2.64Å; R29-D104 IonicContact NE-OD1 3.06Å; R29-D104 PolarHBondContact NE-OD1 3.06Å; R29-D104 IonicContact NE-OD2 2.72Å; R29-D104 PolarHBondContact NE-OD2 3.31Å; R29-D104 IonicContact NH2-OD1 3.33Å; R29-D104 IonicContact NH2-OD2 2.61Å; R29-D104 PolarHBondContact NH2-OD2 3.45Å; R29-L107 HydrophobicContact CB-CD1 4.39Å; R29-L107 HydrophobicContact CG-CD1 4.49Å; R29-F123 HydrophobicContact CB-CE1 4.16Å; R29-F123 HydrophobicContact CB-CZ 3.89Å; R29-F123 HydrophobicContact CG-CD1 4.23Å; R29-F123 HydrophobicContact CG-CD2 4.34Å; R29-F123 HydrophobicContact CG-CE1 3.63Å; R29-F123 HydrophobicContact CG-CE2 3.74Å; R29-F123 HydrophobicContact CG-CZ 3.34Å; R29-E127 IonicContact CZ-OE1 2.72Å; R29-E127 IonicContact NH1-OE1 2.71Å; R29-E127 PolarHBondContact NH1-OE1 3.4Å; R29-E127 IonicContact NH2-OE1 3.96Å; R29-E127 PolarHBondContact NH2-OE1 3.32Å
30	I	84.1	Confident	85.5	Confident	20 Å²	20	57.4 Å²	57.4	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-54.9	-36.2	176.8	-79.2	169.6	0	0	0	112.9	F26 N28 F122 F123	F26-I30 HydrophobicContact CD1-CD1 3.6Å; F26-I30 HydrophobicContact CD1-CG1 4.45Å; F26-I30 HydrophobicContact CE1-CD1 3.16Å; F26-I30 HydrophobicContact CE1-CG1 4.13Å; F26-I30 HydrophobicContact CE2-CD1 4.34Å; F26-I30 HydrophobicContact CG-CD1 4.37Å; F26-I30 HydrophobicContact CZ-CD1 3.55Å; F26-I30 HydrophobicContact CZ-CG1 4.13Å; F26-I30 WeakPolarHBondContact O-CG1 3.31Å; F26-I30 PolarHBondContact O-N 3.37Å; N28-I30 VanDerWaalsContact C-N 3.31Å; N28-I30 PolarHBondContact O-N 3.23Å; I30-F122 HydrophobicContact CD1-CE1 3.99Å; I30-F122 HydrophobicContact CG1-CE1 3.95Å; I30-F123 HydrophobicContact CG1-CE1 4.12Å
31	K	84.6	Confident	86.2	Confident	125 Å²	125	51.3 Å²	51.3	54%	0.543	23%	0.231	S	C	.	.	H	α-helix	trans	-79.2	-19.9	-174.9	-65.1	170.8	-173.2	172.5	0	112.7	N28 R29	N28-K31 PolarHBondContact O-N 3.47Å; N28-K31 VanDerWaalsContact O-N 3.17Å; R29-K31 PolarHBondContact O-N 3.21Å
32	L	88.3	Confident	87	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	21%	0.212	C	C	.	.	H	α-helix	trans	-74.3	-42.6	-172.9	-64	174.7	0	0	0	114.7	R29 K34 K35 I36 L96 R99 V100 I103	R29-L32 PolarHBondContact O-N 2.91Å; R29-L32 VanDerWaalsContact O-N 3.17Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 3.28Å; L32-K34 VanDerWaalsContact O-N 3.16Å; L32-K35 WeakPolarHBondContact O-CA 3.39Å; L32-K35 PolarHBondContact O-N 3.43Å; L32-I36 PolarHBondContact O-N 3.49Å; L32-L96 HydrophobicContact CD2-CD2 3.93Å; L32-R99 HydrophobicContact CD1-CG 4.15Å; L32-V100 HydrophobicContact CB-CG2 3.79Å; L32-V100 HydrophobicContact CD1-CG2 3.62Å; L32-V100 HydrophobicContact CG-CG2 4.33Å; L32-I103 HydrophobicContact CD1-CD1 3.69Å
33	P	87.6	Confident	87.8	Confident	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-49.1	-43.5	178.1	-35.4	37.2	0	0	0	114.3	R29 K35 I36 H37 E127 Y130	R29-P33 WeakPolarHBondContact O-CD 3.24Å; P33-K35 PolarHBondContact O-N 3.3Å; P33-I36 PolarHBondContact O-N 3.47Å; P33-H37 WeakPolarHBondContact O-CB 3.29Å; P33-H37 PolarHBondContact O-CD2 3.31Å; P33-H37 PolarHBondContact O-N 2.99Å; P33-E127 HydrophobicContact CB-CG 3.77Å; P33-E127 HydrophobicContact CG-CG 3.83Å; P33-Y130 HydrophobicContact CB-CD2 3.99Å
34	K	88.6	Confident	88.4	Confident	114 Å²	114	49.1 Å²	49.1	50%	0.496	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-45.1	177.3	-175.6	178.7	179	-179	0	111.4	L32 N38 Y130	L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 3.28Å; L32-K34 VanDerWaalsContact O-N 3.16Å; K34-N38 VanDerWaalsContact O-CB 3.24Å; K34-N38 WeakPolarHBondContact O-CB 3.3Å; K34-N38 PolarHBondContact O-N 3.35Å; K34-N38 PolarHBondContact O-ND2 3.05Å; K34-N38 VanDerWaalsContact O-ND2 3.11Å; K34-Y130 HydrophobicContact CB-CD1 3.99Å; K34-Y130 HydrophobicContact CB-CD2 4.1Å; K34-Y130 HydrophobicContact CB-CE1 4.04Å; K34-Y130 HydrophobicContact CB-CE2 4.12Å; K34-Y130 HydrophobicContact CB-CG 4.04Å; K34-Y130 HydrophobicContact CD-CD1 4.49Å; K34-Y130 HydrophobicContact CD-CE1 4.02Å; K34-Y130 HydrophobicContact CG-CD1 3.96Å; K34-Y130 HydrophobicContact CG-CE1 3.98Å; K34-Y130 HydrophobicContact CG-CG 4.48Å
35	K	90.7	Very high	88.9	Confident	120 Å²	120	44 Å²	44	52%	0.522	20%	0.202	S	C	.	.	H	α-helix	trans	-66.8	-47	178.9	-67.2	-173.6	179.2	-177.6	0	111.1	L32 P33 H37 N38 W39 L96	L32-K35 WeakPolarHBondContact O-CA 3.39Å; L32-K35 PolarHBondContact O-N 3.43Å; P33-K35 PolarHBondContact O-N 3.3Å; K35-H37 PolarHBondContact O-N 2.98Å; K35-N38 PolarHBondContact O-N 3.36Å; K35-W39 VanDerWaalsContact O-CD1 3.26Å; K35-W39 PolarHBondContact O-N 3.39Å; K35-L96 HydrophobicContact CB-CD1 3.86Å; K35-L96 HydrophobicContact CB-CD2 4.41Å; K35-L96 HydrophobicContact CD-CD2 4.43Å
36	I	91.6	Very high	89.4	Confident	16 Å²	16	43 Å²	43	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-52	179.8	-70.1	172.9	0	0	0	110.8	L32 P33 N38 W39 Y40 L96 V100	L32-I36 PolarHBondContact O-N 3.49Å; P33-I36 PolarHBondContact O-N 3.47Å; I36-N38 VanDerWaalsContact C-N 3.31Å; I36-N38 PolarHBondContact O-N 3.16Å; I36-W39 PolarHBondContact O-N 2.94Å; I36-Y40 VanDerWaalsContact O-CB 3.31Å; I36-Y40 WeakPolarHBondContact O-CB 3.42Å; I36-Y40 PolarHBondContact O-N 2.87Å; I36-L96 HydrophobicContact CD1-CB 4.19Å; I36-L96 HydrophobicContact CG1-CB 3.62Å; I36-L96 HydrophobicContact CG1-CD1 4.14Å; I36-L96 HydrophobicContact CG1-CG 4.45Å; I36-V100 HydrophobicContact CD1-CB 4.41Å; I36-V100 HydrophobicContact CD1-CG2 3.51Å
37	H	92.4	Very high	89.8	Confident	29 Å²	29	46.6 Å²	46.6	13%	0.134	22%	0.215	C	C	.	.	H	α-helix	trans	-74.2	-20.9	-177.9	-69.3	-48.5	0	0	0	113.7	P33 K35 N41 E127 H131 S134	P33-H37 WeakPolarHBondContact O-CB 3.29Å; P33-H37 PolarHBondContact O-CD2 3.31Å; P33-H37 PolarHBondContact O-N 2.99Å; K35-H37 PolarHBondContact O-N 2.98Å; H37-N41 WeakPolarHBondContact O-CB 3.3Å; H37-N41 PolarHBondContact O-N 2.67Å; H37-N41 PolarHBondContact O-ND2 3.23Å; H37-E127 PolarHBondContact CD2-O 3.05Å; H37-E127 PolarHBondContact NE2-O 3.1Å; H37-H131 HydrophobicContact CB-CB 4.48Å; H37-H131 AromaticContact ND1-ND1 3.72Å; H37-S134 PolarHBondContact O-OG 2.81Å; H37-S134 VanDerWaalsContact O-OG 3.07Å
38	N	92.2	Very high	90.2	Very high	48 Å²	48	50.2 Å²	50.2	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-51.4	166.8	-76.9	-21	0	0	0	110.9	K34 K35 I36 H42 S134 R137	K34-N38 VanDerWaalsContact O-CB 3.24Å; K34-N38 WeakPolarHBondContact O-CB 3.3Å; K34-N38 PolarHBondContact O-N 3.35Å; K34-N38 PolarHBondContact O-ND2 3.05Å; K34-N38 VanDerWaalsContact O-ND2 3.11Å; K35-N38 PolarHBondContact O-N 3.36Å; I36-N38 VanDerWaalsContact C-N 3.31Å; I36-N38 PolarHBondContact O-N 3.16Å; N38-H42 WeakPolarHBondContact O-CB 3.46Å; N38-H42 PolarHBondContact O-N 3.1Å; N38-S134 PolarHBondContact OD1-OG 3.48Å; N38-R137 PolarHBondContact OD1-NH2 2.95Å
39	W	92.6	Very high	90.4	Very high	79 Å²	79	47 Å²	47	30%	0.299	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-44.5	178	-78.8	117.6	0	0	0	112.7	K35 I36 H42 R43 I88 A89 N92	K35-W39 VanDerWaalsContact O-CD1 3.26Å; K35-W39 PolarHBondContact O-N 3.39Å; I36-W39 PolarHBondContact O-N 2.94Å; W39-H42 PolarHBondContact O-N 2.86Å; W39-R43 WeakPolarHBondContact O-CB 3.36Å; W39-R43 PolarHBondContact O-N 3.23Å; W39-I88 HydrophobicContact CH2-CG2 4.47Å; W39-A89 HydrophobicContact CE3-CB 3.76Å; W39-A89 HydrophobicContact CZ3-CB 4.11Å; W39-N92 HydrophobicContact CD2-CB 4.04Å; W39-N92 HydrophobicContact CG-CB 4.3Å; W39-N92 HydrophobicContact CZ2-CB 4.28Å
40	Y	93.4	Very high	90.5	Very high	74 Å²	74	48.9 Å²	48.9	29%	0.29	22%	0.217	S	C	.	.	H	α-helix	trans	-57.6	-55.6	178	179	-95.8	0	0	0	111.3	I36 H42 R43 I44 L93 H131	I36-Y40 VanDerWaalsContact O-CB 3.31Å; I36-Y40 WeakPolarHBondContact O-CB 3.42Å; I36-Y40 PolarHBondContact O-N 2.87Å; Y40-H42 VanDerWaalsContact C-N 3.27Å; Y40-H42 PolarHBondContact O-N 2.58Å; Y40-R43 WeakPolarHBondContact O-CB 3.27Å; Y40-R43 PolarHBondContact O-N 3.05Å; Y40-R43 VanDerWaalsContact O-N 3.16Å; Y40-I44 HydrophobicContact CD1-CG1 4.36Å; Y40-I44 HydrophobicContact CE1-CG1 3.95Å; Y40-I44 WeakPolarHBondContact O-CG1 3.43Å; Y40-I44 PolarHBondContact O-N 3.36Å; Y40-L93 HydrophobicContact CD2-CD1 3.94Å; Y40-L93 HydrophobicContact CG-CD1 4.29Å; Y40-H131 AromaticContact CE1-CE1 3.88Å
41	N	93.2	Very high	90.5	Very high	9 Å²	9	56.3 Å²	56.3	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-27.9	-179.5	-73.4	-59.4	0	0	0	111.9	H37 F45 H131 S134 K135 Q138	H37-N41 WeakPolarHBondContact O-CB 3.3Å; H37-N41 PolarHBondContact O-N 2.67Å; H37-N41 PolarHBondContact O-ND2 3.23Å; N41-F45 WeakPolarHBondContact O-CB 3.47Å; N41-F45 PolarHBondContact O-N 2.9Å; N41-H131 PolarHBondContact ND2-O 2.94Å; N41-S134 WeakPolarHBondContact CB-OG 3.46Å; N41-S134 WeakPolarHBondContact ND2-CB 3.36Å; N41-K135 PolarHBondContact ND2-N 2.8Å; N41-Q138 HydrophobicContact CB-CG 4.01Å
42	H	92.8	Very high	90.4	Very high	37 Å²	37	55.9 Å²	55.9	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-41.9	171.2	-171.9	50.6	0	0	0	112.1	N38 W39 Y40 F45 N46	N38-H42 WeakPolarHBondContact O-CB 3.46Å; N38-H42 PolarHBondContact O-N 3.1Å; W39-H42 PolarHBondContact O-N 2.86Å; Y40-H42 VanDerWaalsContact C-N 3.27Å; Y40-H42 PolarHBondContact O-N 2.58Å; H42-F45 WeakPolarHBondContact O-CB 3.47Å; H42-F45 PolarHBondContact O-N 2.79Å; H42-N46 PolarHBondContact CE1-ND2 3.29Å; H42-N46 PolarHBondContact NE2-ND2 2.86Å; H42-N46 PolarHBondContact O-N 3.11Å; H42-N46 PolarHBondContact O-ND2 3.49Å
43	R	93.7	Very high	90.1	Very high	59 Å²	59	59.6 Å²	59.6	22%	0.223	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-48.7	173	-165	-174.6	87.4	-158.7	11.2	111.1	W39 Y40 F45 N46 L47 I86 A89 T90	W39-R43 WeakPolarHBondContact O-CB 3.36Å; W39-R43 PolarHBondContact O-N 3.23Å; Y40-R43 WeakPolarHBondContact O-CB 3.27Å; Y40-R43 PolarHBondContact O-N 3.05Å; Y40-R43 VanDerWaalsContact O-N 3.16Å; R43-F45 VanDerWaalsContact C-N 3.32Å; R43-F45 PolarHBondContact O-N 3.27Å; R43-N46 PolarHBondContact O-N 2.77Å; R43-L47 HydrophobicContact CG-CD1 4.38Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.5Å; R43-I86 HydrophobicContact CG-CG2 4.13Å; R43-A89 HydrophobicContact CB-CB 4.05Å; R43-A89 HydrophobicContact CG-CB 4.28Å; R43-T90 WeakPolarHBondContact CD-OG1 3.48Å
44	I	91.9	Very high	89.9	Confident	45 Å²	45	60.6 Å²	60.6	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-41.7	176.9	-62.6	-60.5	0	0	0	111.5	Y40 N46 L47 R48	Y40-I44 HydrophobicContact CD1-CG1 4.36Å; Y40-I44 HydrophobicContact CE1-CG1 3.95Å; Y40-I44 WeakPolarHBondContact O-CG1 3.43Å; Y40-I44 PolarHBondContact O-N 3.36Å; I44-N46 PolarHBondContact O-N 3.42Å; I44-L47 HydrophobicContact CD1-CD1 4.37Å; I44-L47 PolarHBondContact O-N 3.16Å; I44-R48 WeakPolarHBondContact O-CG 3.35Å; I44-R48 PolarHBondContact O-N 2.9Å
45	F	93.5	Very high	89.8	Confident	4 Å²	4	57 Å²	57	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-46.7	175.2	170.5	-92.5	0	0	0	111.9	N41 H42 R43 R48 C49 P56 Q138 K141 F142 M145	N41-F45 WeakPolarHBondContact O-CB 3.47Å; N41-F45 PolarHBondContact O-N 2.9Å; H42-F45 WeakPolarHBondContact O-CB 3.47Å; H42-F45 PolarHBondContact O-N 2.79Å; R43-F45 VanDerWaalsContact C-N 3.32Å; R43-F45 PolarHBondContact O-N 3.27Å; F45-R48 PolarHBondContact O-N 3.49Å; F45-C49 VanDerWaalsContact CZ-SG 3.58Å; F45-C49 PolarHBondContact O-N 3.28Å; F45-C49 PolarHBondContact O-SG 2.93Å; F45-P56 HydrophobicContact CE1-CG 3.94Å; F45-P56 HydrophobicContact CZ-CG 4.32Å; F45-Q138 HydrophobicContact CB-CB 4.18Å; F45-Q138 HydrophobicContact CB-CG 4.2Å; F45-Q138 HydrophobicContact CD2-CB 4.34Å; F45-K141 HydrophobicContact CE2-CB 4.28Å; F45-K141 HydrophobicContact CE2-CD 3.97Å; F45-K141 HydrophobicContact CE2-CG 3.93Å; F45-K141 HydrophobicContact CZ-CD 3.93Å; F45-K141 HydrophobicContact CZ-CG 4.14Å; F45-F142 HydrophobicContact CD2-CB 4.14Å; F45-F142 HydrophobicContact CD2-CD2 4.35Å; F45-F142 HydrophobicContact CE2-CB 3.98Å; F45-F142 HydrophobicContact CE2-CD2 4.08Å; F45-M145 HydrophobicContact CE2-SD 4.25Å; F45-M145 HydrophobicContact CZ-CE 4.42Å; F45-M145 HydrophobicContact CZ-SD 3.71Å
46	N	92.2	Very high	89.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-38.4	178.6	-67.7	-29.3	0	0	0	111.9	H42 R43 I44 C49 L50 I82 I86	H42-N46 PolarHBondContact CE1-ND2 3.29Å; H42-N46 PolarHBondContact NE2-ND2 2.86Å; H42-N46 PolarHBondContact O-N 3.11Å; H42-N46 PolarHBondContact O-ND2 3.49Å; R43-N46 PolarHBondContact O-N 2.77Å; I44-N46 PolarHBondContact O-N 3.42Å; N46-C49 WeakPolarHBondContact O-CB 3.35Å; N46-C49 PolarHBondContact O-N 3Å; N46-L50 PolarHBondContact O-N 3.43Å; N46-I82 HydrophobicContact CB-CG2 4.21Å; N46-I86 HydrophobicContact CB-CD1 4.15Å; N46-I86 HydrophobicContact CB-CG1 3.6Å
47	L	91.6	Very high	89	Confident	75 Å²	75	58.7 Å²	58.7	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-42.7	173.2	-75.4	166.8	0	0	0	112.2	R43 I44 L50 K51 I86	R43-L47 HydrophobicContact CG-CD1 4.38Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.5Å; I44-L47 HydrophobicContact CD1-CD1 4.37Å; I44-L47 PolarHBondContact O-N 3.16Å; L47-L50 PolarHBondContact O-N 3Å; L47-K51 PolarHBondContact O-N 2.78Å; L47-I86 HydrophobicContact CD2-CD1 3.89Å; L47-I86 HydrophobicContact CD2-CG2 4.43Å; L47-I86 HydrophobicContact CG-CD1 4.14Å; L47-I86 HydrophobicContact CG-CG1 4.49Å
48	R	90	Very high	88.5	Confident	114 Å²	114	61.5 Å²	61.5	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-40.7	175.2	-73.4	-179.8	-179.7	-168.2	-1.5	112.2	I44 F45 L50 K51 Q52 F142	I44-R48 WeakPolarHBondContact O-CG 3.35Å; I44-R48 PolarHBondContact O-N 2.9Å; F45-R48 PolarHBondContact O-N 3.49Å; R48-L50 VanDerWaalsContact C-N 3.29Å; R48-L50 PolarHBondContact O-N 2.97Å; R48-K51 PolarHBondContact O-N 2.9Å; R48-Q52 WeakPolarHBondContact O-CB 3.43Å; R48-Q52 PolarHBondContact O-N 3.43Å; R48-F142 HydrophobicContact CB-CD2 4.46Å; R48-F142 HydrophobicContact CB-CE2 4.04Å; R48-F142 HydrophobicContact CB-CZ 4.15Å
49	C	88.4	Confident	88.1	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-43.5	173.7	-71.5	0	0	0	0	111.5	F45 N46 N53 V54	F45-C49 VanDerWaalsContact CZ-SG 3.58Å; F45-C49 PolarHBondContact O-N 3.28Å; F45-C49 PolarHBondContact O-SG 2.93Å; N46-C49 WeakPolarHBondContact O-CB 3.35Å; N46-C49 PolarHBondContact O-N 3Å; C49-N53 PolarHBondContact O-N 2.85Å; C49-N53 VanDerWaalsContact O-N 3.13Å; C49-V54 CarbonylContact C-O 3.45Å; C49-V54 VanDerWaalsContact CA-O 3.26Å; C49-V54 WeakPolarHBondContact CA-O 3.48Å; C49-V54 WeakPolarHBondContact CB-O 3.48Å; C49-V54 PolarHBondContact O-N 3.42Å
50	L	86.2	Confident	87.6	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-69.1	-42.6	179.1	-158.4	135.1	0	0	0	112.2	N46 L47 R48 N53 I82 R83 I86	N46-L50 PolarHBondContact O-N 3.43Å; L47-L50 PolarHBondContact O-N 3Å; R48-L50 VanDerWaalsContact C-N 3.29Å; R48-L50 PolarHBondContact O-N 2.97Å; L50-N53 PolarHBondContact O-N 3.29Å; L50-I82 HydrophobicContact CB-CG2 4.25Å; L50-I82 HydrophobicContact CD1-CB 4.31Å; L50-I82 HydrophobicContact CD1-CG2 3.8Å; L50-R83 HydrophobicContact CD1-CG 3.77Å; L50-I86 HydrophobicContact CD1-CD1 4.4Å
51	K	86	Confident	87.1	Confident	175 Å²	175	59.8 Å²	59.8	76%	0.761	29%	0.29	S	S	*	.	H	α-helix	trans	-64.4	-41.4	178	-172.8	174.3	-178.5	175.5	0	112.9	L47 R48	L47-K51 PolarHBondContact O-N 2.78Å; R48-K51 PolarHBondContact O-N 2.9Å
52	Q	82.5	Confident	86.5	Confident	117 Å²	117	67.6 Å²	67.6	55%	0.547	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.1	-177.2	-67.3	-68.9	-8.6	0	0	113.7	R48 V54 F142	R48-Q52 WeakPolarHBondContact O-CB 3.43Å; R48-Q52 PolarHBondContact O-N 3.43Å; Q52-V54 VanDerWaalsContact C-N 3.25Å; Q52-V54 HydrophobicContact CB-CG2 4.17Å; Q52-V54 WeakPolarHBondContact O-CG2 3.43Å; Q52-V54 PolarHBondContact O-N 2.96Å; Q52-F142 HydrophobicContact CB-CZ 4.04Å; Q52-F142 HydrophobicContact CG-CZ 3.94Å
53	N	81.6	Confident	85.7	Confident	88 Å²	88	68 Å²	68	47%	0.471	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	42	-173.6	-70.8	-54.4	0	0	0	113.3	C49 L50 F55 R79	C49-N53 PolarHBondContact O-N 2.85Å; C49-N53 VanDerWaalsContact O-N 3.13Å; L50-N53 PolarHBondContact O-N 3.29Å; N53-F55 HydrophobicContact CB-CZ 4.49Å; N53-R79 PolarHBondContact OD1-NE 3.39Å; N53-R79 PolarHBondContact OD1-NH2 2.94Å
54	V	83.8	Confident	85	Confident	21 Å²	21	71.2 Å²	71.2	13%	0.127	36%	0.362	C	S	.	.			trans	-118.7	121.3	176.2	-174.8	0	0	0	0	108.6	C49 Q52 M145 L146 A149	C49-V54 CarbonylContact C-O 3.45Å; C49-V54 VanDerWaalsContact CA-O 3.26Å; C49-V54 WeakPolarHBondContact CA-O 3.48Å; C49-V54 WeakPolarHBondContact CB-O 3.48Å; C49-V54 PolarHBondContact O-N 3.42Å; Q52-V54 VanDerWaalsContact C-N 3.25Å; Q52-V54 HydrophobicContact CB-CG2 4.17Å; Q52-V54 WeakPolarHBondContact O-CG2 3.43Å; Q52-V54 PolarHBondContact O-N 2.96Å; V54-M145 HydrophobicContact CG1-CB 4.09Å; V54-M145 HydrophobicContact CG1-CE 3.83Å; V54-L146 HydrophobicContact CG2-CD2 4.06Å; V54-A149 HydrophobicContact CG1-CB 4.41Å
55	F	85.5	Confident	84.2	Confident	38 Å²	38	72.4 Å²	72.4	17%	0.167	37%	0.369	C	S	.	.			trans	-112.7	137.9	-168.8	-52.3	-51	0	0	0	112.7	N53 I75 T78 R79 I82 M145	N53-F55 HydrophobicContact CB-CZ 4.49Å; F55-I75 HydrophobicContact CE2-CG2 4.44Å; F55-T78 HydrophobicContact CB-CG2 3.67Å; F55-T78 HydrophobicContact CD1-CG2 4.1Å; F55-T78 HydrophobicContact CD2-CG2 3.66Å; F55-T78 HydrophobicContact CE2-CG2 4.31Å; F55-T78 HydrophobicContact CG-CG2 3.52Å; F55-R79 HydrophobicContact CE1-CG 4.07Å; F55-R79 HydrophobicContact CZ-CG 3.76Å; F55-I82 HydrophobicContact CB-CD1 4.24Å; F55-I82 HydrophobicContact CD1-CD1 3.17Å; F55-I82 HydrophobicContact CE1-CD1 3.8Å; F55-I82 HydrophobicContact CG-CD1 4.04Å; F55-M145 VanDerWaalsContact C-CE 3.43Å; F55-M145 WeakPolarHBondContact O-CE 3.27Å
56	P	83.8	Confident	83.4	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.032	41%	0.41	C	S	.	.			trans	-62.3	139	173.7	-20.3	31.9	0	0	0	111	F45 S58 L59 M60 M145	F45-P56 HydrophobicContact CE1-CG 3.94Å; F45-P56 HydrophobicContact CZ-CG 4.32Å; P56-S58 PolarHBondContact O-N 2.89Å; P56-L59 HydrophobicContact CG-CD1 4.48Å; P56-L59 PolarHBondContact O-N 3.04Å; P56-M60 PolarHBondContact O-N 3.22Å; P56-M145 HydrophobicContact CB-CE 4.38Å; P56-M145 HydrophobicContact CG-CE 4.19Å
57	K	81.4	Confident	82.9	Confident	166 Å²	166	84.1 Å²	84.1	72%	0.722	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.8	177.8	-71.7	-176	179.4	-176.2	0	113.5	L59 M60	K57-L59 PolarHBondContact O-N 3.3Å; K57-M60 PolarHBondContact O-N 2.87Å
58	S	82.3	Confident	82.1	Confident	88 Å²	88	86.6 Å²	86.6	62%	0.615	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.6	178.7	58.5	0	0	0	0	115	P56	P56-S58 PolarHBondContact O-N 2.89Å
59	L	83.1	Confident	81.6	Confident	18 Å²	18	91.6 Å²	91.6	9%	0.094	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-5.8	176.6	-67.7	179.5	0	0	0	112.8	P56 K57 V61 F81 I82 R85	P56-L59 HydrophobicContact CG-CD1 4.48Å; P56-L59 PolarHBondContact O-N 3.04Å; K57-L59 PolarHBondContact O-N 3.3Å; L59-V61 PolarHBondContact O-N 3.17Å; L59-F81 HydrophobicContact CD2-CB 4.05Å; L59-I82 HydrophobicContact CD1-CG1 3.51Å; L59-R85 HydrophobicContact CD1-CG 4.38Å; L59-R85 VanDerWaalsContact CG-NH1 3.3Å
60	M	82.1	Confident	81.1	Confident	91 Å²	91	93 Å²	93	45%	0.448	47%	0.467	S	S	.	.			trans	-81.9	114.5	-170.9	-170.1	-179.2	77.1	0	0	110.2	P56 K57	P56-M60 PolarHBondContact O-N 3.22Å; K57-M60 PolarHBondContact O-N 2.87Å
61	V	83.4	Confident	80.6	Confident	56 Å²	56	94.2 Å²	94.2	34%	0.339	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-85	136.2	172.7	-177.9	0	0	0	0	109.3	L59 A74 V77 T78 F81	L59-V61 PolarHBondContact O-N 3.17Å; V61-A74 HydrophobicContact CG1-CB 4.33Å; V61-V77 HydrophobicContact CG2-CB 4.41Å; V61-V77 HydrophobicContact CG2-CG1 3.75Å; V61-T78 PolarHBondContact N-OG1 3.1Å; V61-T78 VanDerWaalsContact N-OG1 3.07Å; V61-F81 HydrophobicContact CG2-CD2 4.17Å; V61-F81 HydrophobicContact CG2-CE2 3.65Å
62	K	80	Confident	80.3	Confident	173 Å²	173	92.7 Å²	92.7	75%	0.752	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-98.7	141.7	175.7	-66.4	-179.2	-179.3	175.2	0	109.7
63	S	78	Confident	80.3	Confident	46 Å²	46	89.6 Å²	89.6	32%	0.322	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-72.5	142.3	171.5	61.9	0	0	0	0	110.3	D65	S63-D65 WeakPolarHBondContact CB-O 3.4Å; S63-D65 PolarHBondContact OG-O 3.37Å
64	S	77	Confident	80.5	Confident	126 Å²	126	85.9 Å²	85.9	88%	0.881	44%	0.442	S	S	*	.	S	Bend	trans	-69.9	-39.3	174.2	47.7	0	0	0	0	111.6
65	D	76.7	Confident	80.5	Confident	70 Å²	70	88.1 Å²	88.1	37%	0.374	45%	0.453	S	S	.	.	S	Bend	trans	-111.8	172.9	177.3	71	38.3	0	0	0	112.3	S63 S67 S70	S63-D65 WeakPolarHBondContact CB-O 3.4Å; S63-D65 PolarHBondContact OG-O 3.37Å; D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CA 3.36Å; D65-S67 WeakPolarHBondContact OD1-CB 3.26Å; D65-S67 PolarHBondContact OD1-N 2.99Å; D65-S67 PolarHBondContact OD1-OG 2.91Å; D65-S70 WeakPolarHBondContact OD1-CB 3.4Å; D65-S70 PolarHBondContact OD1-OG 3.17Å; D65-S70 PolarHBondContact OD2-OG 3.45Å
66	K	75.8	Confident	80.5	Confident	204 Å²	204	90 Å²	90	89%	0.887	47%	0.468	S	S	*	.	S	Bend	trans	-91.2	12.3	175.7	-64.6	-177.2	-179.3	174.9	0	113
67	S	80.9	Confident	80.7	Confident	46 Å²	46	92.6 Å²	92.6	32%	0.322	48%	0.483	S	S	.	.			trans	-70.8	145.6	179.9	96.3	0	0	0	0	110.6	D65 R69 S70 I71	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CA 3.36Å; D65-S67 WeakPolarHBondContact OD1-CB 3.26Å; D65-S67 PolarHBondContact OD1-N 2.99Å; D65-S67 PolarHBondContact OD1-OG 2.91Å; S67-R69 PolarHBondContact O-N 2.64Å; S67-R69 PolarHBondContact OG-N 3.18Å; S67-S70 PolarHBondContact O-N 3.07Å; S67-S70 WeakPolarHBondContact OG-CB 3.49Å; S67-S70 PolarHBondContact OG-N 2.77Å; S67-S70 PolarHBondContact OG-OG 2.91Å; S67-I71 WeakPolarHBondContact O-CG1 3.23Å; S67-I71 PolarHBondContact O-N 3.39Å
68	I	75.3	Confident	81.1	Confident	128 Å²	128	84.8 Å²	84.8	66%	0.656	45%	0.45	S	S	*	.	H	α-helix	trans	-61.1	-35.4	178.5	-62.9	171.8	0	0	0	110.7	K72	I68-K72 HydrophobicContact CG2-CD 4.35Å; I68-K72 WeakPolarHBondContact O-CB 2.94Å; I68-K72 WeakPolarHBondContact O-CG 3.42Å; I68-K72 PolarHBondContact O-N 2.93Å
69	R	79.4	Confident	81.4	Confident	219 Å²	219	84.8 Å²	84.8	83%	0.826	44%	0.436	S	S	*	.	H	α-helix	trans	-66.2	-47.1	179.2	-72.6	-176.8	179.9	175.3	-0.3	111	S67 K72 A73	S67-R69 PolarHBondContact O-N 2.64Å; S67-R69 PolarHBondContact OG-N 3.18Å; R69-K72 PolarHBondContact O-N 3.39Å; R69-A73 WeakPolarHBondContact O-CB 3.42Å; R69-A73 PolarHBondContact O-N 3.46Å
70	S	77.9	Confident	81.7	Confident	30 Å²	30	87.3 Å²	87.3	21%	0.21	45%	0.452	C	S	.	.	H	α-helix	trans	-68	-37	-179.5	-51.3	0	0	0	0	112.2	D65 S67 A73 A74	D65-S70 WeakPolarHBondContact OD1-CB 3.4Å; D65-S70 PolarHBondContact OD1-OG 3.17Å; D65-S70 PolarHBondContact OD2-OG 3.45Å; S67-S70 PolarHBondContact O-N 3.07Å; S67-S70 WeakPolarHBondContact OG-CB 3.49Å; S67-S70 PolarHBondContact OG-N 2.77Å; S67-S70 PolarHBondContact OG-OG 2.91Å; S70-A73 PolarHBondContact O-N 3.25Å; S70-A74 WeakPolarHBondContact O-CB 3.33Å; S70-A74 PolarHBondContact O-N 3.31Å
71	I	76.4	Confident	82.1	Confident	74 Å²	74	87.6 Å²	87.6	38%	0.379	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-45.8	172.4	-66.2	166.8	0	0	0	110.7	S67 A73 A74 I75	S67-I71 WeakPolarHBondContact O-CG1 3.23Å; S67-I71 PolarHBondContact O-N 3.39Å; I71-A73 PolarHBondContact O-N 3.24Å; I71-A74 PolarHBondContact O-N 2.7Å; I71-I75 HydrophobicContact CG2-CD1 3.93Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 2.98Å
72	K	79.6	Confident	82.5	Confident	142 Å²	142	84.9 Å²	84.9	62%	0.617	44%	0.435	S	S	*	.	H	α-helix	trans	-60.1	-44.9	175.5	-80.5	-177.5	177.5	-176	0	111.3	I68 R69 I75 T76	I68-K72 HydrophobicContact CG2-CD 4.35Å; I68-K72 WeakPolarHBondContact O-CB 2.94Å; I68-K72 WeakPolarHBondContact O-CG 3.42Å; I68-K72 PolarHBondContact O-N 2.93Å; R69-K72 PolarHBondContact O-N 3.39Å; K72-I75 PolarHBondContact O-N 3.43Å; K72-T76 PolarHBondContact O-N 3.07Å; K72-T76 PolarHBondContact O-OG1 3.12Å
73	A	83	Confident	83.1	Confident	52 Å²	52	83.5 Å²	83.5	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-47.9	177.4	0	0	0	0	0	111.6	R69 S70 I71 I75 T76 V77	R69-A73 WeakPolarHBondContact O-CB 3.42Å; R69-A73 PolarHBondContact O-N 3.46Å; S70-A73 PolarHBondContact O-N 3.25Å; I71-A73 PolarHBondContact O-N 3.24Å; A73-I75 VanDerWaalsContact C-N 3.33Å; A73-I75 PolarHBondContact O-N 2.97Å; A73-T76 WeakPolarHBondContact O-CB 3.38Å; A73-T76 PolarHBondContact O-N 3.24Å; A73-T76 VanDerWaalsContact O-N 3.14Å; A73-V77 WeakPolarHBondContact O-CG2 3.4Å; A73-V77 PolarHBondContact O-N 3.3Å
74	A	84.9	Confident	83.8	Confident	10 Å²	10	86 Å²	86	8%	0.083	43%	0.431	C	S	.	.	H	α-helix	trans	-60.5	-39.7	178	0	0	0	0	0	112.9	V61 S70 I71 T78	V61-A74 HydrophobicContact CG1-CB 4.33Å; S70-A74 WeakPolarHBondContact O-CB 3.33Å; S70-A74 PolarHBondContact O-N 3.31Å; I71-A74 PolarHBondContact O-N 2.7Å; A74-T78 WeakPolarHBondContact O-CB 3.29Å; A74-T78 PolarHBondContact O-N 3.13Å; A74-T78 PolarHBondContact O-OG1 3.32Å
75	I	83.5	Confident	84.5	Confident	68 Å²	68	83.9 Å²	83.9	35%	0.349	40%	0.404	S	S	.	.	H	α-helix	trans	-65.7	-42.9	174.8	-68.2	167.8	0	0	0	110.9	F55 I71 K72 A73 T78 R79	F55-I75 HydrophobicContact CE2-CG2 4.44Å; I71-I75 HydrophobicContact CG2-CD1 3.93Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 2.98Å; K72-I75 PolarHBondContact O-N 3.43Å; A73-I75 VanDerWaalsContact C-N 3.33Å; A73-I75 PolarHBondContact O-N 2.97Å; I75-T78 PolarHBondContact O-N 3.42Å; I75-R79 WeakPolarHBondContact O-CG 3.44Å; I75-R79 PolarHBondContact O-N 2.92Å
76	T	85.9	Confident	85.2	Confident	79 Å²	79	81.8 Å²	81.8	49%	0.485	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-48.8	177.5	-60.9	0	0	0	0	111.1	K72 A73 T78 R79 T80	K72-T76 PolarHBondContact O-N 3.07Å; K72-T76 PolarHBondContact O-OG1 3.12Å; A73-T76 WeakPolarHBondContact O-CB 3.38Å; A73-T76 PolarHBondContact O-N 3.24Å; A73-T76 VanDerWaalsContact O-N 3.14Å; T76-T78 VanDerWaalsContact C-N 3.34Å; T76-T78 PolarHBondContact O-N 3.02Å; T76-R79 WeakPolarHBondContact O-CB 3.38Å; T76-R79 PolarHBondContact O-N 3.28Å; T76-R79 VanDerWaalsContact O-N 3.16Å; T76-T80 PolarHBondContact O-N 2.96Å; T76-T80 PolarHBondContact O-OG1 3.26Å; T76-T80 VanDerWaalsContact O-OG1 3.08Å
77	V	88	Confident	86.1	Confident	58 Å²	58	77.3 Å²	77.3	35%	0.352	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-45.2	177	175.7	0	0	0	0	111.2	V61 A73 R79 T80 F81	V61-V77 HydrophobicContact CG2-CB 4.41Å; V61-V77 HydrophobicContact CG2-CG1 3.75Å; A73-V77 WeakPolarHBondContact O-CG2 3.4Å; A73-V77 PolarHBondContact O-N 3.3Å; V77-R79 VanDerWaalsContact C-N 3.3Å; V77-R79 PolarHBondContact O-N 3.11Å; V77-T80 WeakPolarHBondContact O-CB 3.31Å; V77-T80 PolarHBondContact O-N 2.92Å; V77-T80 VanDerWaalsContact O-N 3.11Å; V77-F81 HydrophobicContact CG1-CD2 4.08Å; V77-F81 HydrophobicContact CG1-CE1 4.3Å; V77-F81 HydrophobicContact CG1-CE2 3.5Å; V77-F81 VanDerWaalsContact CG1-CE2 3.5Å; V77-F81 HydrophobicContact CG1-CZ 3.62Å; V77-F81 PolarHBondContact O-N 3.43Å
78	T	89.1	Confident	86.7	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-58.8	-41.1	177.3	-59.3	0	0	0	0	111.9	F55 V61 A74 I75 T76 I82	F55-T78 HydrophobicContact CB-CG2 3.67Å; F55-T78 HydrophobicContact CD1-CG2 4.1Å; F55-T78 HydrophobicContact CD2-CG2 3.66Å; F55-T78 HydrophobicContact CE2-CG2 4.31Å; F55-T78 HydrophobicContact CG-CG2 3.52Å; V61-T78 PolarHBondContact N-OG1 3.1Å; V61-T78 VanDerWaalsContact N-OG1 3.07Å; A74-T78 WeakPolarHBondContact O-CB 3.29Å; A74-T78 PolarHBondContact O-N 3.13Å; A74-T78 PolarHBondContact O-OG1 3.32Å; I75-T78 PolarHBondContact O-N 3.42Å; T76-T78 VanDerWaalsContact C-N 3.34Å; T76-T78 PolarHBondContact O-N 3.02Å; T78-I82 WeakPolarHBondContact O-CG1 3.39Å; T78-I82 PolarHBondContact O-N 2.73Å
79	R	88.7	Confident	87.5	Confident	87 Å²	87	72.6 Å²	72.6	33%	0.328	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175.6	-75.9	175	169.2	168	-2.6	111.8	N53 F55 I75 T76 V77 I82 R83	N53-R79 PolarHBondContact OD1-NE 3.39Å; N53-R79 PolarHBondContact OD1-NH2 2.94Å; F55-R79 HydrophobicContact CE1-CG 4.07Å; F55-R79 HydrophobicContact CZ-CG 3.76Å; I75-R79 WeakPolarHBondContact O-CG 3.44Å; I75-R79 PolarHBondContact O-N 2.92Å; T76-R79 WeakPolarHBondContact O-CB 3.38Å; T76-R79 PolarHBondContact O-N 3.28Å; T76-R79 VanDerWaalsContact O-N 3.16Å; V77-R79 VanDerWaalsContact C-N 3.3Å; V77-R79 PolarHBondContact O-N 3.11Å; R79-I82 PolarHBondContact O-N 2.67Å; R79-R83 WeakPolarHBondContact O-CG 3.22Å; R79-R83 PolarHBondContact O-N 3.22Å
80	T	90	Very high	88.1	Confident	72 Å²	72	63.9 Å²	63.9	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-46.1	177.2	-55.1	0	0	0	0	111.3	T76 V77 I82 R83 E84	T76-T80 PolarHBondContact O-N 2.96Å; T76-T80 PolarHBondContact O-OG1 3.26Å; T76-T80 VanDerWaalsContact O-OG1 3.08Å; V77-T80 WeakPolarHBondContact O-CB 3.31Å; V77-T80 PolarHBondContact O-N 2.92Å; V77-T80 VanDerWaalsContact O-N 3.11Å; T80-I82 VanDerWaalsContact C-N 3.27Å; T80-I82 PolarHBondContact O-N 2.92Å; T80-R83 WeakPolarHBondContact O-CB 3.41Å; T80-R83 PolarHBondContact O-N 2.91Å; T80-R83 VanDerWaalsContact O-N 3.09Å; T80-E84 PolarHBondContact O-N 3.44Å
81	F	91.4	Very high	88.8	Confident	96 Å²	96	65.8 Å²	65.8	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-33.4	176.8	-65.5	-31	0	0	0	114	L59 V61 V77 E84 R85	L59-F81 HydrophobicContact CD2-CB 4.05Å; V61-F81 HydrophobicContact CG2-CD2 4.17Å; V61-F81 HydrophobicContact CG2-CE2 3.65Å; V77-F81 HydrophobicContact CG1-CD2 4.08Å; V77-F81 HydrophobicContact CG1-CE1 4.3Å; V77-F81 HydrophobicContact CG1-CE2 3.5Å; V77-F81 VanDerWaalsContact CG1-CE2 3.5Å; V77-F81 HydrophobicContact CG1-CZ 3.62Å; V77-F81 PolarHBondContact O-N 3.43Å; F81-E84 PolarHBondContact O-N 3.18Å; F81-R85 PolarHBondContact O-N 3.09Å
82	I	91.4	Very high	89.7	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-41.4	174.8	-70.1	172.1	0	0	0	111	N46 L50 F55 L59 T78 R79 T80 E84 R85 I86	N46-I82 HydrophobicContact CB-CG2 4.21Å; L50-I82 HydrophobicContact CB-CG2 4.25Å; L50-I82 HydrophobicContact CD1-CB 4.31Å; L50-I82 HydrophobicContact CD1-CG2 3.8Å; F55-I82 HydrophobicContact CB-CD1 4.24Å; F55-I82 HydrophobicContact CD1-CD1 3.17Å; F55-I82 HydrophobicContact CE1-CD1 3.8Å; F55-I82 HydrophobicContact CG-CD1 4.04Å; L59-I82 HydrophobicContact CD1-CG1 3.51Å; T78-I82 WeakPolarHBondContact O-CG1 3.39Å; T78-I82 PolarHBondContact O-N 2.73Å; R79-I82 PolarHBondContact O-N 2.67Å; T80-I82 VanDerWaalsContact C-N 3.27Å; T80-I82 PolarHBondContact O-N 2.92Å; I82-E84 VanDerWaalsContact C-N 3.28Å; I82-E84 PolarHBondContact O-N 3.11Å; I82-R85 PolarHBondContact O-N 3.46Å; I82-I86 HydrophobicContact CG2-CD1 3.97Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 3.43Å
83	R	92.2	Very high	90.3	Very high	143 Å²	143	58.4 Å²	58.4	54%	0.54	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-42.1	174.8	-70.9	180	177.7	133.3	-6.6	111.1	L50 R79 T80 R85 I86 H87	L50-R83 HydrophobicContact CD1-CG 3.77Å; R79-R83 WeakPolarHBondContact O-CG 3.22Å; R79-R83 PolarHBondContact O-N 3.22Å; T80-R83 WeakPolarHBondContact O-CB 3.41Å; T80-R83 PolarHBondContact O-N 2.91Å; T80-R83 VanDerWaalsContact O-N 3.09Å; R83-R85 PolarHBondContact O-N 3.02Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3.11Å; R83-I86 VanDerWaalsContact O-N 3.09Å; R83-H87 PolarHBondContact O-N 2.73Å
84	E	92.3	Very high	90.7	Very high	98 Å²	98	61.4 Å²	61.4	46%	0.458	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.6	-167.8	52.3	-138	0	0	112	T80 F81 I82 I86 H87 I88	T80-E84 PolarHBondContact O-N 3.44Å; F81-E84 PolarHBondContact O-N 3.18Å; I82-E84 VanDerWaalsContact C-N 3.28Å; I82-E84 PolarHBondContact O-N 3.11Å; E84-I86 VanDerWaalsContact C-N 3.27Å; E84-I86 PolarHBondContact O-N 3.36Å; E84-H87 WeakPolarHBondContact O-CB 3.36Å; E84-H87 PolarHBondContact O-N 2.8Å; E84-H87 VanDerWaalsContact O-N 3.12Å; E84-H87 IonicContact OE1-CD2 3.29Å; E84-I88 HydrophobicContact CG-CD1 4.19Å; E84-I88 WeakPolarHBondContact O-CG1 3.25Å; E84-I88 PolarHBondContact O-N 3.19Å
85	R	91.8	Very high	91.1	Very high	83 Å²	83	64.4 Å²	64.4	31%	0.313	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-32.9	172.9	-79.1	-151.3	-178.6	146.3	1.1	113.7	L59 F81 I82 R83 A89	L59-R85 HydrophobicContact CD1-CG 4.38Å; L59-R85 VanDerWaalsContact CG-NH1 3.3Å; F81-R85 PolarHBondContact O-N 3.09Å; I82-R85 PolarHBondContact O-N 3.46Å; R83-R85 PolarHBondContact O-N 3.02Å; R85-A89 VanDerWaalsContact O-CB 3.23Å; R85-A89 WeakPolarHBondContact O-CB 3.45Å; R85-A89 PolarHBondContact O-N 2.83Å
86	I	92.4	Very high	91.6	Very high	25 Å²	25	62.1 Å²	62.1	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-43.9	174.6	-69.5	162.2	0	0	0	109.4	R43 N46 L47 L50 I82 R83 E84 A89 T90	R43-I86 HydrophobicContact CG-CG2 4.13Å; N46-I86 HydrophobicContact CB-CD1 4.15Å; N46-I86 HydrophobicContact CB-CG1 3.6Å; L47-I86 HydrophobicContact CD2-CD1 3.89Å; L47-I86 HydrophobicContact CD2-CG2 4.43Å; L47-I86 HydrophobicContact CG-CD1 4.14Å; L47-I86 HydrophobicContact CG-CG1 4.49Å; L50-I86 HydrophobicContact CD1-CD1 4.4Å; I82-I86 HydrophobicContact CG2-CD1 3.97Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.46Å; I82-I86 PolarHBondContact O-N 3.43Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3.11Å; R83-I86 VanDerWaalsContact O-N 3.09Å; E84-I86 VanDerWaalsContact C-N 3.27Å; E84-I86 PolarHBondContact O-N 3.36Å; I86-A89 PolarHBondContact O-N 2.96Å; I86-T90 PolarHBondContact O-N 3.33Å; I86-T90 PolarHBondContact O-OG1 3.42Å
87	H	93.9	Very high	91.8	Very high	110 Å²	110	64.9 Å²	64.9	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-53.5	177.4	-178.1	63.3	0	0	0	111.8	R83 E84 A89 T90 V91	R83-H87 PolarHBondContact O-N 2.73Å; E84-H87 WeakPolarHBondContact O-CB 3.36Å; E84-H87 PolarHBondContact O-N 2.8Å; E84-H87 VanDerWaalsContact O-N 3.12Å; E84-H87 IonicContact OE1-CD2 3.29Å; H87-A89 PolarHBondContact O-N 3.1Å; H87-T90 WeakPolarHBondContact O-CA 3.42Å; H87-T90 WeakPolarHBondContact O-CB 3.25Å; H87-T90 PolarHBondContact O-N 2.93Å; H87-V91 PolarHBondContact O-N 2.91Å
88	I	93.1	Very high	92	Very high	76 Å²	76	65.6 Å²	65.6	39%	0.39	32%	0.319	S	S	.	.	H	α-helix	trans	-55	-41.8	176	-66.9	168.1	0	0	0	111.3	W39 E84 T90 N92	W39-I88 HydrophobicContact CH2-CG2 4.47Å; E84-I88 HydrophobicContact CG-CD1 4.19Å; E84-I88 WeakPolarHBondContact O-CG1 3.25Å; E84-I88 PolarHBondContact O-N 3.19Å; I88-T90 VanDerWaalsContact C-N 3.32Å; I88-T90 PolarHBondContact O-N 3.18Å; I88-N92 WeakPolarHBondContact CG2-ND2 3.3Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.79Å; I88-N92 PolarHBondContact O-ND2 2.98Å
89	A	92.5	Very high	92.1	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.8	-33.2	178	0	0	0	0	0	112.7	W39 R43 R85 I86 H87 L93	W39-A89 HydrophobicContact CE3-CB 3.76Å; W39-A89 HydrophobicContact CZ3-CB 4.11Å; R43-A89 HydrophobicContact CB-CB 4.05Å; R43-A89 HydrophobicContact CG-CB 4.28Å; R85-A89 VanDerWaalsContact O-CB 3.23Å; R85-A89 WeakPolarHBondContact O-CB 3.45Å; R85-A89 PolarHBondContact O-N 2.83Å; I86-A89 PolarHBondContact O-N 2.96Å; H87-A89 PolarHBondContact O-N 3.1Å; A89-L93 WeakPolarHBondContact O-CB 3.39Å; A89-L93 PolarHBondContact O-N 3.08Å; A89-L93 VanDerWaalsContact O-N 3.17Å
90	T	93	Very high	92.1	Very high	36 Å²	36	68.7 Å²	68.7	22%	0.221	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-49.8	175.7	-58.4	0	0	0	0	110.9	R43 I86 H87 I88 N92 L93 E94	R43-T90 WeakPolarHBondContact CD-OG1 3.48Å; I86-T90 PolarHBondContact O-N 3.33Å; I86-T90 PolarHBondContact O-OG1 3.42Å; H87-T90 WeakPolarHBondContact O-CA 3.42Å; H87-T90 WeakPolarHBondContact O-CB 3.25Å; H87-T90 PolarHBondContact O-N 2.93Å; I88-T90 VanDerWaalsContact C-N 3.32Å; I88-T90 PolarHBondContact O-N 3.18Å; T90-N92 PolarHBondContact O-N 2.59Å; T90-L93 WeakPolarHBondContact O-CB 3.45Å; T90-L93 PolarHBondContact O-N 3.29Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.45Å; T90-E94 PolarHBondContact O-N 3.41Å
91	V	92.9	Very high	92.1	Very high	70 Å²	70	71.5 Å²	71.5	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-46.8	179	175.2	0	0	0	0	111.3	H87 L93 E94 S95	H87-V91 PolarHBondContact O-N 2.91Å; V91-L93 VanDerWaalsContact C-N 3.26Å; V91-L93 PolarHBondContact O-N 3.46Å; V91-E94 PolarHBondContact O-N 3.38Å; V91-S95 PolarHBondContact O-N 3.35Å
92	N	93.9	Very high	92	Very high	58 Å²	58	71.4 Å²	71.4	31%	0.31	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-35.3	176.4	-80.6	-61.6	0	0	0	112.7	W39 I88 T90 L96	W39-N92 HydrophobicContact CD2-CB 4.04Å; W39-N92 HydrophobicContact CG-CB 4.3Å; W39-N92 HydrophobicContact CZ2-CB 4.28Å; I88-N92 WeakPolarHBondContact CG2-ND2 3.3Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.79Å; I88-N92 PolarHBondContact O-ND2 2.98Å; T90-N92 PolarHBondContact O-N 2.59Å; N92-L96 WeakPolarHBondContact O-CB 3.47Å; N92-L96 WeakPolarHBondContact O-CG 3.37Å; N92-L96 PolarHBondContact O-N 3.01Å
93	L	92.8	Very high	91.8	Very high	2 Å²	2	72 Å²	72	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-73.7	-36.6	-179.1	-174.9	147.2	0	0	0	111.7	Y40 A89 T90 V91 R97	Y40-L93 HydrophobicContact CD2-CD1 3.94Å; Y40-L93 HydrophobicContact CG-CD1 4.29Å; A89-L93 WeakPolarHBondContact O-CB 3.39Å; A89-L93 PolarHBondContact O-N 3.08Å; A89-L93 VanDerWaalsContact O-N 3.17Å; T90-L93 WeakPolarHBondContact O-CB 3.45Å; T90-L93 PolarHBondContact O-N 3.29Å; V91-L93 VanDerWaalsContact C-N 3.26Å; V91-L93 PolarHBondContact O-N 3.46Å; L93-R97 HydrophobicContact CD2-CG 4.38Å; L93-R97 VanDerWaalsContact CD2-NE 3.32Å; L93-R97 WeakPolarHBondContact O-CB 3.34Å; L93-R97 VanDerWaalsContact O-CG 3.26Å; L93-R97 WeakPolarHBondContact O-CG 3.31Å; L93-R97 PolarHBondContact O-N 3.48Å
94	E	91.8	Very high	91.6	Very high	116 Å²	116	67.6 Å²	67.6	54%	0.542	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-48.1	172.3	-73.8	168.2	-172.2	0	0	111.4	T90 V91 L96 R97 S98	T90-E94 WeakPolarHBondContact CG2-OE1 3.45Å; T90-E94 PolarHBondContact O-N 3.41Å; V91-E94 PolarHBondContact O-N 3.38Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.37Å; E94-R97 PolarHBondContact O-N 3.25Å; E94-R97 VanDerWaalsContact O-N 3.14Å; E94-S98 PolarHBondContact O-N 2.85Å; E94-S98 PolarHBondContact O-OG 3.11Å
95	S	92.9	Very high	91.4	Very high	72 Å²	72	67.8 Å²	67.8	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-40.7	175.3	175.5	0	0	0	0	112.9	V91 S98 R99	V91-S95 PolarHBondContact O-N 3.35Å; S95-S98 PolarHBondContact O-OG 3.14Å; S95-R99 WeakPolarHBondContact O-CB 3.29Å; S95-R99 PolarHBondContact O-N 3.4Å; S95-R99 VanDerWaalsContact O-N 3.13Å
96	L	92.9	Very high	91.1	Very high	21 Å²	21	66.3 Å²	66.3	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-71.6	-35.2	176.9	-72	170.1	0	0	0	112.6	L32 K35 I36 N92 E94 R99 V100	L32-L96 HydrophobicContact CD2-CD2 3.93Å; K35-L96 HydrophobicContact CB-CD1 3.86Å; K35-L96 HydrophobicContact CB-CD2 4.41Å; K35-L96 HydrophobicContact CD-CD2 4.43Å; I36-L96 HydrophobicContact CD1-CB 4.19Å; I36-L96 HydrophobicContact CG1-CB 3.62Å; I36-L96 HydrophobicContact CG1-CD1 4.14Å; I36-L96 HydrophobicContact CG1-CG 4.45Å; N92-L96 WeakPolarHBondContact O-CB 3.47Å; N92-L96 WeakPolarHBondContact O-CG 3.37Å; N92-L96 PolarHBondContact O-N 3.01Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.37Å; L96-R99 PolarHBondContact O-N 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 2.9Å
97	R	91.8	Very high	90.7	Very high	136 Å²	136	65.5 Å²	65.5	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-67.9	-41.4	176.3	-80.2	177.7	174.3	178.7	-6.2	111.9	L93 E94 R99 V100 K101	L93-R97 HydrophobicContact CD2-CG 4.38Å; L93-R97 VanDerWaalsContact CD2-NE 3.32Å; L93-R97 WeakPolarHBondContact O-CB 3.34Å; L93-R97 VanDerWaalsContact O-CG 3.26Å; L93-R97 WeakPolarHBondContact O-CG 3.31Å; L93-R97 PolarHBondContact O-N 3.48Å; E94-R97 PolarHBondContact O-N 3.25Å; E94-R97 VanDerWaalsContact O-N 3.14Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R97-V100 PolarHBondContact O-N 2.85Å; R97-K101 WeakPolarHBondContact O-CB 2.97Å; R97-K101 PolarHBondContact O-N 3.15Å
98	S	90.6	Very high	90.2	Very high	73 Å²	73	62.2 Å²	62.2	51%	0.51	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.1	64.1	0	0	0	0	111.3	E94 S95 V100 K101 N102	E94-S98 PolarHBondContact O-N 2.85Å; E94-S98 PolarHBondContact O-OG 3.11Å; S95-S98 PolarHBondContact O-OG 3.14Å; S98-V100 PolarHBondContact O-N 3.3Å; S98-K101 PolarHBondContact O-N 2.95Å; S98-N102 WeakPolarHBondContact O-CB 3.42Å; S98-N102 PolarHBondContact O-N 3.37Å
99	R	91.1	Very high	89.7	Confident	139 Å²	139	64.5 Å²	64.5	53%	0.525	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-39.9	174.2	-171.5	173.4	-178.2	131.1	1.9	112.8	L32 S95 L96 R97 I103	L32-R99 HydrophobicContact CD1-CG 4.15Å; S95-R99 WeakPolarHBondContact O-CB 3.29Å; S95-R99 PolarHBondContact O-N 3.4Å; S95-R99 VanDerWaalsContact O-N 3.13Å; L96-R99 PolarHBondContact O-N 3.25Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R99-I103 HydrophobicContact CG-CD1 4.12Å; R99-I103 VanDerWaalsContact O-CG1 3.3Å; R99-I103 WeakPolarHBondContact O-CG1 3.34Å; R99-I103 PolarHBondContact O-N 2.96Å; R99-I103 VanDerWaalsContact O-N 3.14Å
100	V	90	Very high	89.1	Confident	16 Å²	16	67.7 Å²	67.7	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-48.2	173.8	160	0	0	0	0	110.8	R29 L32 I36 L96 R97 S98 N102 I103 D104	R29-V100 VanDerWaalsContact NH2-CG1 3.33Å; L32-V100 HydrophobicContact CB-CG2 3.79Å; L32-V100 HydrophobicContact CD1-CG2 3.62Å; L32-V100 HydrophobicContact CG-CG2 4.33Å; I36-V100 HydrophobicContact CD1-CB 4.41Å; I36-V100 HydrophobicContact CD1-CG2 3.51Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 2.9Å; R97-V100 PolarHBondContact O-N 2.85Å; S98-V100 PolarHBondContact O-N 3.3Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.39Å; V100-I103 PolarHBondContact O-N 3.19Å; V100-D104 VanDerWaalsContact CG1-OD2 3.25Å; V100-D104 WeakPolarHBondContact CG1-OD2 3.13Å; V100-D104 WeakPolarHBondContact O-CB 3.16Å; V100-D104 VanDerWaalsContact O-CG 3.31Å; V100-D104 PolarHBondContact O-N 3.19Å
101	K	89.2	Confident	88.4	Confident	132 Å²	132	66.5 Å²	66.5	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-57.1	-46.4	179.4	-176	177.5	171.3	-178.2	0	111.8	R97 S98 D104 E105	R97-K101 WeakPolarHBondContact O-CB 2.97Å; R97-K101 PolarHBondContact O-N 3.15Å; S98-K101 PolarHBondContact O-N 2.95Å; K101-D104 PolarHBondContact O-N 2.63Å; K101-E105 WeakPolarHBondContact CE-OE1 3.28Å; K101-E105 WeakPolarHBondContact CG-OE1 3.25Å; K101-E105 IonicContact NZ-OE1 3.21Å; K101-E105 WeakPolarHBondContact O-CB 3.5Å; K101-E105 WeakPolarHBondContact O-CG 3.43Å; K101-E105 PolarHBondContact O-N 3.3Å
102	N	90.1	Very high	87.7	Confident	93 Å²	93	65.8 Å²	65.8	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-46.7	177.2	-173.9	-13	0	0	0	111.8	S98 V100 D104 E105 I106	S98-N102 WeakPolarHBondContact O-CB 3.42Å; S98-N102 PolarHBondContact O-N 3.37Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 3.39Å; N102-D104 PolarHBondContact O-N 3.44Å; N102-E105 PolarHBondContact O-N 3.42Å; N102-I106 WeakPolarHBondContact O-CG1 3.43Å; N102-I106 PolarHBondContact O-N 3.5Å; N102-I106 VanDerWaalsContact O-N 3.07Å; N102-I106 VanDerWaalsContact OD1-CD1 3.26Å; N102-I106 WeakPolarHBondContact OD1-CD1 3.49Å
103	I	87.5	Confident	86.9	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.062	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-39.5	177.8	-63.4	165.4	0	0	0	111.5	L25 R29 L32 R99 V100 I106 L107	L25-I103 HydrophobicContact CB-CG2 4.36Å; R29-I103 HydrophobicContact CB-CG2 3.85Å; R29-I103 HydrophobicContact CG-CG2 4.38Å; L32-I103 HydrophobicContact CD1-CD1 3.69Å; R99-I103 HydrophobicContact CG-CD1 4.12Å; R99-I103 VanDerWaalsContact O-CG1 3.3Å; R99-I103 WeakPolarHBondContact O-CG1 3.34Å; R99-I103 PolarHBondContact O-N 2.96Å; R99-I103 VanDerWaalsContact O-N 3.14Å; V100-I103 PolarHBondContact O-N 3.19Å; I103-I106 PolarHBondContact O-N 3.37Å; I103-L107 HydrophobicContact CG2-CD1 3.79Å; I103-L107 HydrophobicContact CG2-CG 4.11Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 WeakPolarHBondContact O-CG 3.2Å; I103-L107 PolarHBondContact O-N 2.97Å
104	D	87.8	Confident	86.1	Confident	52 Å²	52	80.3 Å²	80.3	28%	0.278	40%	0.402	S	S	.	.	H	α-helix	trans	-67.5	-36.6	179.5	-72.5	-11.7	0	0	0	111.3	R29 V100 K101 N102 S108	R29-D104 WeakPolarHBondContact CD-OD1 3.48Å; R29-D104 IonicContact CZ-OD1 2.6Å; R29-D104 IonicContact CZ-OD2 2.64Å; R29-D104 IonicContact NE-OD1 3.06Å; R29-D104 PolarHBondContact NE-OD1 3.06Å; R29-D104 IonicContact NE-OD2 2.72Å; R29-D104 PolarHBondContact NE-OD2 3.31Å; R29-D104 IonicContact NH2-OD1 3.33Å; R29-D104 IonicContact NH2-OD2 2.61Å; R29-D104 PolarHBondContact NH2-OD2 3.45Å; V100-D104 VanDerWaalsContact CG1-OD2 3.25Å; V100-D104 WeakPolarHBondContact CG1-OD2 3.13Å; V100-D104 WeakPolarHBondContact O-CB 3.16Å; V100-D104 VanDerWaalsContact O-CG 3.31Å; V100-D104 PolarHBondContact O-N 3.19Å; K101-D104 PolarHBondContact O-N 2.63Å; N102-D104 PolarHBondContact O-N 3.44Å; D104-S108 VanDerWaalsContact O-CB 3.27Å; D104-S108 WeakPolarHBondContact O-CB 3.29Å; D104-S108 PolarHBondContact O-N 3.48Å
105	E	86.8	Confident	85.3	Confident	102 Å²	102	75.9 Å²	75.9	48%	0.477	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-49.4	172.1	-77.6	169.1	-175.8	0	0	111.1	K101 N102 S108 V109	K101-E105 WeakPolarHBondContact CE-OE1 3.28Å; K101-E105 WeakPolarHBondContact CG-OE1 3.25Å; K101-E105 IonicContact NZ-OE1 3.21Å; K101-E105 WeakPolarHBondContact O-CB 3.5Å; K101-E105 WeakPolarHBondContact O-CG 3.43Å; K101-E105 PolarHBondContact O-N 3.3Å; N102-E105 PolarHBondContact O-N 3.42Å; E105-S108 WeakPolarHBondContact O-CB 3.41Å; E105-S108 PolarHBondContact O-N 3.49Å; E105-S108 PolarHBondContact O-OG 2.97Å; E105-V109 PolarHBondContact O-N 3.02Å
106	I	86.4	Confident	84.6	Confident	51 Å²	51	77.3 Å²	77.3	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-46.3	177.8	-63	166.6	0	0	0	111	L25 N102 I103 S108 V109 I110	L25-I106 HydrophobicContact CD1-CB 4.36Å; L25-I106 HydrophobicContact CD1-CG2 3.46Å; L25-I106 VanDerWaalsContact CD1-CG2 3.46Å; N102-I106 WeakPolarHBondContact O-CG1 3.43Å; N102-I106 PolarHBondContact O-N 3.5Å; N102-I106 VanDerWaalsContact O-N 3.07Å; N102-I106 VanDerWaalsContact OD1-CD1 3.26Å; N102-I106 WeakPolarHBondContact OD1-CD1 3.49Å; I103-I106 PolarHBondContact O-N 3.37Å; I106-S108 VanDerWaalsContact C-N 3.25Å; I106-S108 PolarHBondContact O-N 3.41Å; I106-V109 PolarHBondContact O-N 3.11Å; I106-I110 HydrophobicContact CG2-CD1 3.48Å; I106-I110 VanDerWaalsContact CG2-CD1 3.48Å; I106-I110 HydrophobicContact CG2-CG1 4.34Å; I106-I110 WeakPolarHBondContact O-CG1 3.38Å; I106-I110 PolarHBondContact O-N 3.36Å; I106-I110 VanDerWaalsContact O-N 3.16Å
107	L	83.7	Confident	83.9	Confident	8 Å²	8	80.1 Å²	80.1	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-63.5	-32.6	177.7	-75	176.4	0	0	0	111.8	L25 R29 I103 V109 I110 T111 F123	L25-L107 HydrophobicContact CB-CD2 4.11Å; R29-L107 HydrophobicContact CB-CD1 4.39Å; R29-L107 HydrophobicContact CG-CD1 4.49Å; I103-L107 HydrophobicContact CG2-CD1 3.79Å; I103-L107 HydrophobicContact CG2-CG 4.11Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 WeakPolarHBondContact O-CG 3.2Å; I103-L107 PolarHBondContact O-N 2.97Å; L107-V109 PolarHBondContact O-N 3.49Å; L107-I110 PolarHBondContact O-N 3Å; L107-T111 WeakPolarHBondContact O-CB 3.39Å; L107-T111 PolarHBondContact O-N 3.35Å; L107-T111 PolarHBondContact O-OG1 3.43Å; L107-F123 HydrophobicContact CD1-CE2 4.18Å; L107-F123 HydrophobicContact CD1-CZ 4.17Å
108	S	83	Confident	83.3	Confident	42 Å²	42	77.1 Å²	77.1	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-29.4	177.8	84.5	0	0	0	0	113.4	D104 E105 I106 R116	D104-S108 VanDerWaalsContact O-CB 3.27Å; D104-S108 WeakPolarHBondContact O-CB 3.29Å; D104-S108 PolarHBondContact O-N 3.48Å; E105-S108 WeakPolarHBondContact O-CB 3.41Å; E105-S108 PolarHBondContact O-N 3.49Å; E105-S108 PolarHBondContact O-OG 2.97Å; I106-S108 VanDerWaalsContact C-N 3.25Å; I106-S108 PolarHBondContact O-N 3.41Å; S108-R116 PolarHBondContact O-NH1 3.08Å
109	V	82.3	Confident	82.8	Confident	124 Å²	124	73.9 Å²	73.9	75%	0.752	37%	0.369	S	S	*	.	H	α-helix	trans	-84.5	-42.1	180	177.8	0	0	0	0	110.8	E105 I106 L107	E105-V109 PolarHBondContact O-N 3.02Å; I106-V109 PolarHBondContact O-N 3.11Å; L107-V109 PolarHBondContact O-N 3.49Å
110	I	80.6	Confident	82.4	Confident	66 Å²	66	71.4 Å²	71.4	34%	0.338	37%	0.366	S	S	.	.	H	α-helix	trans	-86.9	-27.5	-171.4	-53.5	170.5	0	0	0	112.7	Y21 S22 I106 L107	Y21-I110 HydrophobicContact CD1-CD1 4.36Å; Y21-I110 HydrophobicContact CE1-CD1 4.21Å; S22-I110 WeakPolarHBondContact OG-CG2 3.34Å; I106-I110 HydrophobicContact CG2-CD1 3.48Å; I106-I110 VanDerWaalsContact CG2-CD1 3.48Å; I106-I110 HydrophobicContact CG2-CG1 4.34Å; I106-I110 WeakPolarHBondContact O-CG1 3.38Å; I106-I110 PolarHBondContact O-N 3.36Å; I106-I110 VanDerWaalsContact O-N 3.16Å; L107-I110 PolarHBondContact O-N 3Å
111	T	78.3	Confident	82	Confident	12 Å²	12	75 Å²	75	7%	0.074	38%	0.382	C	S	.	.	S	Bend	trans	-79.4	130.2	-171.6	-51.3	0	0	0	0	111.8	L18 L107 R116 I119	L18-T111 HydrophobicContact CD2-CG2 4.42Å; L107-T111 WeakPolarHBondContact O-CB 3.39Å; L107-T111 PolarHBondContact O-N 3.35Å; L107-T111 PolarHBondContact O-OG1 3.43Å; T111-R116 HydrophobicContact CG2-CB 4.41Å; T111-I119 HydrophobicContact CG2-CD1 3.52Å
112	P	78.7	Confident	81.8	Confident	55 Å²	55	68.9 Å²	68.9	36%	0.357	36%	0.355	S	S	.	.			trans	-54.8	140.8	174.2	-25.3	33.4	0	0	0	112.7	E114 I115 R116	P112-E114 PolarHBondContact O-N 2.79Å; P112-I115 PolarHBondContact O-N 3.34Å; P112-R116 PolarHBondContact O-N 3.46Å; P112-R116 VanDerWaalsContact O-N 3.13Å
113	K	75.7	Confident	81.6	Confident	194 Å²	194	64.8 Å²	64.8	84%	0.843	33%	0.333	S	S	*	.	H	α-helix	trans	-56.3	-35.9	-177.5	-72.9	-176.6	-179.9	175.7	0	112.6	I115	K113-I115 VanDerWaalsContact C-N 3.33Å; K113-I115 PolarHBondContact O-N 3.31Å
114	E	76	Confident	81.5	Confident	170 Å²	170	70.5 Å²	70.5	79%	0.794	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-35.8	-178.3	-67.5	150.9	-156.9	0	0	113.2	P112	P112-E114 PolarHBondContact O-N 2.79Å
115	I	77	Confident	81.3	Confident	23 Å²	23	70.9 Å²	70.9	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-102.5	-17.9	-173.9	-48.4	176.4	0	0	0	111.4	N17 P112 K113 S117 N118 I119	N17-I115 HydrophobicContact CB-CD1 3.31Å; P112-I115 PolarHBondContact O-N 3.34Å; K113-I115 VanDerWaalsContact C-N 3.33Å; K113-I115 PolarHBondContact O-N 3.31Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 3.12Å; I115-N118 WeakPolarHBondContact O-CB 3.43Å; I115-N118 PolarHBondContact O-N 2.96Å; I115-I119 HydrophobicContact CB-CD1 4.42Å; I115-I119 HydrophobicContact CG2-CD1 3.72Å; I115-I119 HydrophobicContact CG2-CG1 4.03Å; I115-I119 PolarHBondContact O-N 3.33Å
116	R	76.9	Confident	81.2	Confident	102 Å²	102	68.8 Å²	68.8	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-54.7	-38.8	-178.3	-174.5	171.4	173.8	168.9	-6	113.1	S108 T111 P112 N120	S108-R116 PolarHBondContact O-NH1 3.08Å; T111-R116 HydrophobicContact CG2-CB 4.41Å; P112-R116 PolarHBondContact O-N 3.46Å; P112-R116 VanDerWaalsContact O-N 3.13Å; R116-N120 WeakPolarHBondContact O-CB 3.47Å; R116-N120 VanDerWaalsContact O-CG 3.28Å; R116-N120 PolarHBondContact O-N 3.43Å; R116-N120 PolarHBondContact O-ND2 3.25Å
117	S	78.5	Confident	81.2	Confident	81 Å²	81	69.1 Å²	69.1	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-50	175.9	-168.5	0	0	0	0	111.5	I115 I119 N120 E121	I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 3.12Å; S117-I119 PolarHBondContact O-N 3.04Å; S117-N120 PolarHBondContact O-N 2.99Å; S117-E121 PolarHBondContact O-N 3.42Å
118	N	78.7	Confident	81.4	Confident	73 Å²	73	73.4 Å²	73.4	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-43.5	-179.9	-69	-16.7	0	0	0	111.7	Y10 I115 E121 F122	Y10-N118 VanDerWaalsContact OH-C 3.22Å; Y10-N118 WeakPolarHBondContact OH-CB 3.45Å; Y10-N118 PolarHBondContact OH-O 3.28Å; I115-N118 WeakPolarHBondContact O-CB 3.43Å; I115-N118 PolarHBondContact O-N 2.96Å; N118-E121 PolarHBondContact O-N 3.34Å; N118-F122 WeakPolarHBondContact O-CB 3.38Å; N118-F122 PolarHBondContact O-N 3.14Å
119	I	80.4	Confident	81.6	Confident	4 Å²	4	77 Å²	77	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-43.6	177	-76.2	163.4	0	0	0	111.8	I14 F26 T111 I115 S117 F122 F123	I14-I119 HydrophobicContact CD1-CG1 3.83Å; F26-I119 HydrophobicContact CD2-CG2 4.26Å; F26-I119 HydrophobicContact CE2-CG1 4.21Å; F26-I119 HydrophobicContact CE2-CG2 4.03Å; T111-I119 HydrophobicContact CG2-CD1 3.52Å; I115-I119 HydrophobicContact CB-CD1 4.42Å; I115-I119 HydrophobicContact CG2-CD1 3.72Å; I115-I119 HydrophobicContact CG2-CG1 4.03Å; I115-I119 PolarHBondContact O-N 3.33Å; S117-I119 PolarHBondContact O-N 3.04Å; I119-F122 WeakPolarHBondContact O-CB 3.1Å; I119-F122 PolarHBondContact O-N 3.21Å; I119-F123 HydrophobicContact CG2-CD2 3.9Å; I119-F123 HydrophobicContact CG2-CE2 3.41Å; I119-F123 VanDerWaalsContact CG2-CE2 3.41Å; I119-F123 HydrophobicContact CG2-CZ 3.87Å; I119-F123 WeakPolarHBondContact O-CD2 3.33Å; I119-F123 WeakPolarHBondContact O-CG 3.39Å; I119-F123 PolarHBondContact O-N 3.45Å
120	N	83.3	Confident	82	Confident	87 Å²	87	73.4 Å²	73.4	47%	0.465	35%	0.351	S	S	.	.	H	α-helix	trans	-65.1	-42.1	177.8	-76.7	-24.5	0	0	0	111.7	R116 S117 F122 F123 K124	R116-N120 WeakPolarHBondContact O-CB 3.47Å; R116-N120 VanDerWaalsContact O-CG 3.28Å; R116-N120 PolarHBondContact O-N 3.43Å; R116-N120 PolarHBondContact O-ND2 3.25Å; S117-N120 PolarHBondContact O-N 2.99Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F123 PolarHBondContact O-N 3.1Å; N120-K124 WeakPolarHBondContact O-CB 3.28Å; N120-K124 PolarHBondContact O-N 3.13Å
121	E	82.2	Confident	82.4	Confident	93 Å²	93	73 Å²	73	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-43	175.2	-168.7	174.6	-177.1	0	0	111.3	S117 N118 F123 K124 L125	S117-E121 PolarHBondContact O-N 3.42Å; N118-E121 PolarHBondContact O-N 3.34Å; E121-F123 PolarHBondContact O-N 3.38Å; E121-K124 PolarHBondContact O-N 2.6Å; E121-L125 HydrophobicContact CG-CD1 4.27Å; E121-L125 WeakPolarHBondContact O-CG 3.36Å; E121-L125 PolarHBondContact O-N 2.89Å
122	F	83.7	Confident	83	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.009	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-47.4	174.6	180	-105.8	0	0	0	112.9	Y5 Y10 F26 I30 N118 I119 N120 L125 R126	Y5-F122 AromaticContact CD1-CD2 3.55Å; Y5-F122 HydrophobicContact CD1-CD2 3.55Å; Y5-F122 HydrophobicContact CD1-CE2 4.16Å; Y5-F122 HydrophobicContact CE1-CD2 4.39Å; Y5-F122 HydrophobicContact CG-CD2 4.1Å; Y5-F122 WeakPolarHBondContact O-CE2 3.42Å; Y10-F122 HydrophobicContact CD1-CD1 4.5Å; Y10-F122 AromaticContact CD1-CD2 3.37Å; Y10-F122 HydrophobicContact CD1-CD2 3.37Å; Y10-F122 AromaticContact CD1-CE2 3.39Å; Y10-F122 HydrophobicContact CD1-CE2 3.39Å; Y10-F122 AromaticContact CD1-CG 3.92Å; Y10-F122 HydrophobicContact CD1-CG 3.92Å; Y10-F122 HydrophobicContact CD1-CZ 4.02Å; Y10-F122 HydrophobicContact CE1-CB 3.63Å; Y10-F122 HydrophobicContact CE1-CD1 4.17Å; Y10-F122 AromaticContact CE1-CD2 3.3Å; Y10-F122 HydrophobicContact CE1-CD2 3.3Å; Y10-F122 AromaticContact CE1-CE2 3.84Å; Y10-F122 HydrophobicContact CE1-CE2 3.84Å; Y10-F122 AromaticContact CE1-CG 3.45Å; Y10-F122 HydrophobicContact CE1-CG 3.45Å; Y10-F122 VanDerWaalsContact CE1-CG 3.45Å; Y10-F122 HydrophobicContact CE1-CZ 4.49Å; Y10-F122 HydrophobicContact CG-CD2 4.34Å; Y10-F122 HydrophobicContact CG-CE2 4.26Å; F26-F122 HydrophobicContact CE2-CD1 4.25Å; F26-F122 HydrophobicContact CE2-CE1 4.5Å; F26-F122 AromaticContact CZ-CD1 3.92Å; F26-F122 HydrophobicContact CZ-CD1 3.92Å; F26-F122 AromaticContact CZ-CE1 3.82Å; F26-F122 HydrophobicContact CZ-CE1 3.82Å; I30-F122 HydrophobicContact CD1-CE1 3.99Å; I30-F122 HydrophobicContact CG1-CE1 3.95Å; N118-F122 WeakPolarHBondContact O-CB 3.38Å; N118-F122 PolarHBondContact O-N 3.14Å; I119-F122 WeakPolarHBondContact O-CB 3.1Å; I119-F122 PolarHBondContact O-N 3.21Å; N120-F122 VanDerWaalsContact C-N 3.33Å; F122-L125 PolarHBondContact O-N 3.31Å; F122-R126 PolarHBondContact O-N 2.96Å
123	F	86.2	Confident	83.5	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-44.6	176.3	-69	-31.8	0	0	0	111.8	F26 R29 I30 L107 I119 N120 E121 L125 R126 E127	F26-F123 AromaticContact CD2-CE1 3.83Å; F26-F123 HydrophobicContact CD2-CE1 3.83Å; F26-F123 HydrophobicContact CD2-CE2 4.46Å; F26-F123 AromaticContact CD2-CZ 3.44Å; F26-F123 HydrophobicContact CD2-CZ 3.44Å; F26-F123 VanDerWaalsContact CD2-CZ 3.44Å; F26-F123 AromaticContact CE2-CE1 3.52Å; F26-F123 HydrophobicContact CE2-CE1 3.52Å; F26-F123 AromaticContact CE2-CZ 3.53Å; F26-F123 HydrophobicContact CE2-CZ 3.53Å; F26-F123 HydrophobicContact CZ-CE1 4.37Å; R29-F123 HydrophobicContact CB-CE1 4.16Å; R29-F123 HydrophobicContact CB-CZ 3.89Å; R29-F123 HydrophobicContact CG-CD1 4.23Å; R29-F123 HydrophobicContact CG-CD2 4.34Å; R29-F123 HydrophobicContact CG-CE1 3.63Å; R29-F123 HydrophobicContact CG-CE2 3.74Å; R29-F123 HydrophobicContact CG-CZ 3.34Å; I30-F123 HydrophobicContact CG1-CE1 4.12Å; L107-F123 HydrophobicContact CD1-CE2 4.18Å; L107-F123 HydrophobicContact CD1-CZ 4.17Å; I119-F123 HydrophobicContact CG2-CD2 3.9Å; I119-F123 HydrophobicContact CG2-CE2 3.41Å; I119-F123 VanDerWaalsContact CG2-CE2 3.41Å; I119-F123 HydrophobicContact CG2-CZ 3.87Å; I119-F123 WeakPolarHBondContact O-CD2 3.33Å; I119-F123 WeakPolarHBondContact O-CG 3.39Å; I119-F123 PolarHBondContact O-N 3.45Å; N120-F123 PolarHBondContact O-N 3.1Å; E121-F123 PolarHBondContact O-N 3.38Å; F123-L125 PolarHBondContact O-N 2.8Å; F123-R126 PolarHBondContact O-N 2.93Å; F123-E127 WeakPolarHBondContact O-CB 3.3Å; F123-E127 WeakPolarHBondContact O-CG 3.47Å; F123-E127 PolarHBondContact O-N 2.92Å
124	K	84.5	Confident	84.2	Confident	131 Å²	131	69 Å²	69	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-59.4	-46.7	178.4	-173.2	179.2	179.4	-177.8	0	111.7	N120 E121 R126 E127 Q128	N120-K124 WeakPolarHBondContact O-CB 3.28Å; N120-K124 PolarHBondContact O-N 3.13Å; E121-K124 PolarHBondContact O-N 2.6Å; K124-R126 PolarHBondContact O-N 3.45Å; K124-E127 PolarHBondContact O-N 3.13Å; K124-Q128 WeakPolarHBondContact O-CG 3.44Å; K124-Q128 PolarHBondContact O-N 3.02Å
125	L	83.6	Confident	85	Confident	61 Å²	61	65.5 Å²	65.5	32%	0.319	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-41.6	177.4	-73.6	173.5	0	0	0	111.9	Y5 E121 F122 F123 Q128 F129	Y5-L125 HydrophobicContact CD2-CD1 3.33Å; Y5-L125 HydrophobicContact CE2-CD1 3.39Å; Y5-L125 HydrophobicContact CG-CD1 4.06Å; E121-L125 HydrophobicContact CG-CD1 4.27Å; E121-L125 WeakPolarHBondContact O-CG 3.36Å; E121-L125 PolarHBondContact O-N 2.89Å; F122-L125 PolarHBondContact O-N 3.31Å; F123-L125 PolarHBondContact O-N 2.8Å; L125-Q128 PolarHBondContact O-N 3.22Å; L125-F129 WeakPolarHBondContact O-CB 3.41Å; L125-F129 PolarHBondContact O-N 3.05Å
126	R	85.1	Confident	85.7	Confident	58 Å²	58	68.6 Å²	68.6	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-41.9	176.7	-109.8	-167.4	151	133.9	-1.5	113.1	F122 F123 K124 F129 Y130	F122-R126 PolarHBondContact O-N 2.96Å; F123-R126 PolarHBondContact O-N 2.93Å; K124-R126 PolarHBondContact O-N 3.45Å; R126-F129 PolarHBondContact O-N 3.34Å; R126-Y130 HydrophobicContact CG-CE2 4.1Å; R126-Y130 WeakPolarHBondContact O-CD2 3.34Å; R126-Y130 PolarHBondContact O-N 3.21Å
127	E	87.2	Confident	86.5	Confident	57 Å²	57	69.9 Å²	69.9	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-48	175.6	-77.9	177.3	-168.9	0	0	110.6	R29 P33 H37 F123 K124 F129 Y130 H131	R29-E127 IonicContact CZ-OE1 2.72Å; R29-E127 IonicContact NH1-OE1 2.71Å; R29-E127 PolarHBondContact NH1-OE1 3.4Å; R29-E127 IonicContact NH2-OE1 3.96Å; R29-E127 PolarHBondContact NH2-OE1 3.32Å; P33-E127 HydrophobicContact CB-CG 3.77Å; P33-E127 HydrophobicContact CG-CG 3.83Å; H37-E127 PolarHBondContact CD2-O 3.05Å; H37-E127 PolarHBondContact NE2-O 3.1Å; F123-E127 WeakPolarHBondContact O-CB 3.3Å; F123-E127 WeakPolarHBondContact O-CG 3.47Å; F123-E127 PolarHBondContact O-N 2.92Å; K124-E127 PolarHBondContact O-N 3.13Å; E127-F129 PolarHBondContact O-N 2.95Å; E127-Y130 PolarHBondContact O-N 3.2Å; E127-H131 WeakPolarHBondContact O-CB 3.37Å; E127-H131 PolarHBondContact O-N 3.39Å
128	Q	87.4	Confident	87.1	Confident	98 Å²	98	67 Å²	67	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-46.9	174.8	-72.2	177.3	-6.3	0	0	112.3	K124 L125 H131 Q132	K124-Q128 WeakPolarHBondContact O-CG 3.44Å; K124-Q128 PolarHBondContact O-N 3.02Å; L125-Q128 PolarHBondContact O-N 3.22Å; Q128-H131 PolarHBondContact O-N 2.95Å; Q128-Q132 WeakPolarHBondContact O-CG 3.33Å; Q128-Q132 PolarHBondContact O-N 3.17Å
129	F	88.1	Confident	87.7	Confident	119 Å²	119	65.6 Å²	65.6	52%	0.522	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-49.8	179.4	176.3	-96.4	0	0	0	112.6	L125 R126 E127 H131 Q132 S133	L125-F129 WeakPolarHBondContact O-CB 3.41Å; L125-F129 PolarHBondContact O-N 3.05Å; R126-F129 PolarHBondContact O-N 3.34Å; E127-F129 PolarHBondContact O-N 2.95Å; F129-H131 VanDerWaalsContact C-N 3.34Å; F129-Q132 PolarHBondContact O-N 2.95Å; F129-S133 WeakPolarHBondContact O-CB 3.21Å; F129-S133 PolarHBondContact O-N 3.41Å; F129-S133 PolarHBondContact O-OG 3.19Å
130	Y	89	Confident	88.2	Confident	48 Å²	48	73.7 Å²	73.7	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-70.3	-32.9	-180	-73.6	-57.2	0	0	0	112.3	P33 K34 R126 E127 S134	P33-Y130 HydrophobicContact CB-CD2 3.99Å; K34-Y130 HydrophobicContact CB-CD1 3.99Å; K34-Y130 HydrophobicContact CB-CD2 4.1Å; K34-Y130 HydrophobicContact CB-CE1 4.04Å; K34-Y130 HydrophobicContact CB-CE2 4.12Å; K34-Y130 HydrophobicContact CB-CG 4.04Å; K34-Y130 HydrophobicContact CD-CD1 4.49Å; K34-Y130 HydrophobicContact CD-CE1 4.02Å; K34-Y130 HydrophobicContact CG-CD1 3.96Å; K34-Y130 HydrophobicContact CG-CE1 3.98Å; K34-Y130 HydrophobicContact CG-CG 4.48Å; R126-Y130 HydrophobicContact CG-CE2 4.1Å; R126-Y130 WeakPolarHBondContact O-CD2 3.34Å; R126-Y130 PolarHBondContact O-N 3.21Å; E127-Y130 PolarHBondContact O-N 3.2Å; Y130-S134 WeakPolarHBondContact O-CB 3.36Å; Y130-S134 PolarHBondContact O-N 3.18Å
131	H	90.7	Very high	88.5	Confident	56 Å²	56	74.1 Å²	74.1	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-54.2	172.3	180	73.5	0	0	0	111	H37 Y40 N41 E127 Q128 F129 K135	H37-H131 HydrophobicContact CB-CB 4.48Å; H37-H131 AromaticContact ND1-ND1 3.72Å; Y40-H131 AromaticContact CE1-CE1 3.88Å; N41-H131 PolarHBondContact ND2-O 2.94Å; E127-H131 WeakPolarHBondContact O-CB 3.37Å; E127-H131 PolarHBondContact O-N 3.39Å; Q128-H131 PolarHBondContact O-N 2.95Å; F129-H131 VanDerWaalsContact C-N 3.34Å; H131-K135 WeakPolarHBondContact O-CB 3.19Å; H131-K135 PolarHBondContact O-N 2.84Å
132	Q	90.4	Very high	88.8	Confident	126 Å²	126	70.7 Å²	70.7	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-61.2	-46.9	179.5	-74.9	-176	-9.5	0	0	111.9	Q128 F129 S134 K135 L136	Q128-Q132 WeakPolarHBondContact O-CG 3.33Å; Q128-Q132 PolarHBondContact O-N 3.17Å; F129-Q132 PolarHBondContact O-N 2.95Å; Q132-S134 PolarHBondContact O-N 3.07Å; Q132-K135 PolarHBondContact O-N 3.45Å; Q132-L136 WeakPolarHBondContact O-CG 2.94Å; Q132-L136 PolarHBondContact O-N 3.2Å
133	S	88.4	Confident	89	Confident	51 Å²	51	75 Å²	75	36%	0.357	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-47.7	-179.6	-63.7	0	0	0	0	112.4	F129 R137	F129-S133 WeakPolarHBondContact O-CB 3.21Å; F129-S133 PolarHBondContact O-N 3.41Å; F129-S133 PolarHBondContact O-OG 3.19Å; S133-R137 WeakPolarHBondContact O-CB 3.3Å; S133-R137 PolarHBondContact O-N 2.9Å; S133-R137 VanDerWaalsContact O-N 3.13Å
134	S	90.5	Very high	89.1	Confident	2 Å²	2	81.3 Å²	81.3	1%	0.014	36%	0.364	C	S	.	.	H	α-helix	trans	-69.1	-38.2	179.2	-176.4	0	0	0	0	112	H37 N38 N41 Y130 Q132 R137 Q138	H37-S134 PolarHBondContact O-OG 2.81Å; H37-S134 VanDerWaalsContact O-OG 3.07Å; N38-S134 PolarHBondContact OD1-OG 3.48Å; N41-S134 WeakPolarHBondContact CB-OG 3.46Å; N41-S134 WeakPolarHBondContact ND2-CB 3.36Å; Y130-S134 WeakPolarHBondContact O-CB 3.36Å; Y130-S134 PolarHBondContact O-N 3.18Å; Q132-S134 PolarHBondContact O-N 3.07Å; S134-R137 PolarHBondContact O-N 3.03Å; S134-R137 PolarHBondContact OG-NH2 2.68Å; S134-Q138 WeakPolarHBondContact O-CG 3.4Å; S134-Q138 PolarHBondContact O-N 3.38Å
135	K	92.8	Very high	89	Confident	95 Å²	95	76.2 Å²	76.2	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-52.3	174.7	177.8	-179.4	176.5	-177.8	0	111.2	N41 H131 Q132 R137 Q138 I139	N41-K135 PolarHBondContact ND2-N 2.8Å; H131-K135 WeakPolarHBondContact O-CB 3.19Å; H131-K135 PolarHBondContact O-N 2.84Å; Q132-K135 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact C-N 3.32Å; K135-R137 PolarHBondContact O-N 2.64Å; K135-Q138 PolarHBondContact O-N 3.12Å; K135-I139 HydrophobicContact CG-CD1 3.86Å; K135-I139 WeakPolarHBondContact O-CG1 3.06Å; K135-I139 PolarHBondContact O-N 2.96Å
136	L	92.8	Very high	89	Confident	89 Å²	89	76.7 Å²	76.7	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-42.5	178.6	-72.7	172.3	0	0	0	111.9	Q132 Q138 I139 R140	Q132-L136 WeakPolarHBondContact O-CG 2.94Å; Q132-L136 PolarHBondContact O-N 3.2Å; L136-Q138 PolarHBondContact O-N 3.19Å; L136-I139 PolarHBondContact O-N 2.67Å; L136-R140 WeakPolarHBondContact O-CG 3.49Å; L136-R140 PolarHBondContact O-N 3.49Å
137	R	92.4	Very high	88.7	Confident	129 Å²	129	81 Å²	81	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-44.3	176.3	-175.3	-177.2	61	-159.8	-9.9	112.2	N38 S133 S134 K135 K141	N38-R137 PolarHBondContact OD1-NH2 2.95Å; S133-R137 WeakPolarHBondContact O-CB 3.3Å; S133-R137 PolarHBondContact O-N 2.9Å; S133-R137 VanDerWaalsContact O-N 3.13Å; S134-R137 PolarHBondContact O-N 3.03Å; S134-R137 PolarHBondContact OG-NH2 2.68Å; K135-R137 VanDerWaalsContact C-N 3.32Å; K135-R137 PolarHBondContact O-N 2.64Å; R137-K141 WeakPolarHBondContact O-CB 3.45Å; R137-K141 PolarHBondContact O-N 2.81Å; R137-K141 VanDerWaalsContact O-N 3.09Å
138	Q	92	Very high	88.2	Confident	21 Å²	21	81.7 Å²	81.7	10%	0.098	37%	0.369	C	S	.	.	H	α-helix	trans	-70.2	-35.2	178.2	-66.2	-65.2	9.4	0	0	112.5	N41 F45 S134 K135 L136 K141 F142	N41-Q138 HydrophobicContact CB-CG 4.01Å; F45-Q138 HydrophobicContact CB-CB 4.18Å; F45-Q138 HydrophobicContact CB-CG 4.2Å; F45-Q138 HydrophobicContact CD2-CB 4.34Å; S134-Q138 WeakPolarHBondContact O-CG 3.4Å; S134-Q138 PolarHBondContact O-N 3.38Å; K135-Q138 PolarHBondContact O-N 3.12Å; L136-Q138 PolarHBondContact O-N 3.19Å; Q138-K141 PolarHBondContact O-N 3.27Å; Q138-F142 WeakPolarHBondContact O-CB 3.2Å; Q138-F142 PolarHBondContact O-N 2.89Å
139	I	91	Very high	87.2	Confident	42 Å²	42	78.8 Å²	78.8	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-61.3	-53.3	174	-71.4	169.4	0	0	0	110.2	K135 L136 K141 F142 E143	K135-I139 HydrophobicContact CG-CD1 3.86Å; K135-I139 WeakPolarHBondContact O-CG1 3.06Å; K135-I139 PolarHBondContact O-N 2.96Å; L136-I139 PolarHBondContact O-N 2.67Å; I139-K141 VanDerWaalsContact C-N 3.26Å; I139-K141 PolarHBondContact O-N 3.14Å; I139-F142 WeakPolarHBondContact O-CB 3.38Å; I139-F142 PolarHBondContact O-N 3.3Å; I139-E143 HydrophobicContact CG2-CG 4.28Å; I139-E143 VanDerWaalsContact CG2-OE1 3.27Å; I139-E143 WeakPolarHBondContact CG2-OE1 3.35Å; I139-E143 WeakPolarHBondContact O-CG 3.37Å; I139-E143 PolarHBondContact O-N 2.76Å
140	R	90.7	Very high	85.8	Confident	175 Å²	175	76 Å²	76	66%	0.66	36%	0.357	S	S	*	.	H	α-helix	trans	-56.8	-41	177.6	-70	178.8	-170.3	164.8	2.8	112.1	L136 K144	L136-R140 WeakPolarHBondContact O-CG 3.49Å; L136-R140 PolarHBondContact O-N 3.49Å; R140-K144 WeakPolarHBondContact O-CB 3.42Å; R140-K144 PolarHBondContact O-N 3Å
141	K	89.8	Confident	84.1	Confident	95 Å²	95	76.5 Å²	76.5	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-45.2	175.7	-175.4	179.1	-180	-180	0	111.5	F45 R137 Q138 I139 K144 M145	F45-K141 HydrophobicContact CE2-CB 4.28Å; F45-K141 HydrophobicContact CE2-CD 3.97Å; F45-K141 HydrophobicContact CE2-CG 3.93Å; F45-K141 HydrophobicContact CZ-CD 3.93Å; F45-K141 HydrophobicContact CZ-CG 4.14Å; R137-K141 WeakPolarHBondContact O-CB 3.45Å; R137-K141 PolarHBondContact O-N 2.81Å; R137-K141 VanDerWaalsContact O-N 3.09Å; Q138-K141 PolarHBondContact O-N 3.27Å; I139-K141 VanDerWaalsContact C-N 3.26Å; I139-K141 PolarHBondContact O-N 3.14Å; K141-K144 PolarHBondContact O-N 3.38Å; K141-M145 WeakPolarHBondContact O-CG 3.23Å; K141-M145 PolarHBondContact O-N 3.33Å; K141-M145 VanDerWaalsContact O-N 3.14Å
142	F	88.9	Confident	82.2	Confident	21 Å²	21	77.3 Å²	77.3	9%	0.092	38%	0.379	C	S	.	.	H	α-helix	trans	-67.3	-43.6	179.4	-170.6	-105.6	0	0	0	112.2	F45 R48 Q52 Q138 I139 K144 M145 L146	F45-F142 HydrophobicContact CD2-CB 4.14Å; F45-F142 HydrophobicContact CD2-CD2 4.35Å; F45-F142 HydrophobicContact CE2-CB 3.98Å; F45-F142 HydrophobicContact CE2-CD2 4.08Å; R48-F142 HydrophobicContact CB-CD2 4.46Å; R48-F142 HydrophobicContact CB-CE2 4.04Å; R48-F142 HydrophobicContact CB-CZ 4.15Å; Q52-F142 HydrophobicContact CB-CZ 4.04Å; Q52-F142 HydrophobicContact CG-CZ 3.94Å; Q138-F142 WeakPolarHBondContact O-CB 3.2Å; Q138-F142 PolarHBondContact O-N 2.89Å; I139-F142 WeakPolarHBondContact O-CB 3.38Å; I139-F142 PolarHBondContact O-N 3.3Å; F142-K144 PolarHBondContact O-N 3.31Å; F142-M145 CarbonylContact O-C 3.57Å; F142-M145 WeakPolarHBondContact O-CA 3.22Å; F142-M145 WeakPolarHBondContact O-CB 3.47Å; F142-M145 PolarHBondContact O-N 2.84Å; F142-M145 VanDerWaalsContact O-N 3.1Å; F142-L146 HydrophobicContact CD1-CD1 3.83Å; F142-L146 HydrophobicContact CD1-CG 4.23Å; F142-L146 HydrophobicContact CE1-CD1 3.56Å; F142-L146 HydrophobicContact CE1-CD2 4.37Å; F142-L146 HydrophobicContact CE1-CG 3.94Å; F142-L146 HydrophobicContact CZ-CD1 4.39Å; F142-L146 HydrophobicContact CZ-CD2 4.44Å; F142-L146 HydrophobicContact CZ-CG 4.37Å; F142-L146 PolarHBondContact O-N 3.35Å
143	E	87.7	Confident	80.1	Confident	94 Å²	94	78.9 Å²	78.9	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-41	175.5	-72.6	173.1	178.8	0	0	112.2	I139 M145 L146 K147	I139-E143 HydrophobicContact CG2-CG 4.28Å; I139-E143 VanDerWaalsContact CG2-OE1 3.27Å; I139-E143 WeakPolarHBondContact CG2-OE1 3.35Å; I139-E143 WeakPolarHBondContact O-CG 3.37Å; I139-E143 PolarHBondContact O-N 2.76Å; E143-M145 VanDerWaalsContact C-N 3.25Å; E143-M145 PolarHBondContact O-N 2.96Å; E143-L146 PolarHBondContact O-N 3.26Å; E143-K147 WeakPolarHBondContact O-CB 3.35Å; E143-K147 WeakPolarHBondContact O-CG 3.29Å; E143-K147 PolarHBondContact O-N 2.97Å
144	K	87.5	Confident	77.7	Confident	140 Å²	140	78.5 Å²	78.5	61%	0.609	38%	0.38	S	S	*	.	H	α-helix	trans	-59.7	-38.9	173.2	-173	174.6	-178.4	174.3	0	111.2	R140 K141 F142 K147 Q148	R140-K144 WeakPolarHBondContact O-CB 3.42Å; R140-K144 PolarHBondContact O-N 3Å; K141-K144 PolarHBondContact O-N 3.38Å; F142-K144 PolarHBondContact O-N 3.31Å; K144-K147 PolarHBondContact O-N 3Å; K144-Q148 VanDerWaalsContact O-CG 3.3Å; K144-Q148 WeakPolarHBondContact O-CG 3.46Å; K144-Q148 PolarHBondContact O-N 3.1Å
145	M	84	Confident	75.1	Confident	24 Å²	24	86.6 Å²	86.6	12%	0.118	42%	0.415	C	S	.	.	H	α-helix	trans	-69.8	-39.7	175.5	-73.3	175.4	52.2	0	0	112.4	F45 V54 F55 P56 K141 F142 E143 Q148 A149	F45-M145 HydrophobicContact CE2-SD 4.25Å; F45-M145 HydrophobicContact CZ-CE 4.42Å; F45-M145 HydrophobicContact CZ-SD 3.71Å; V54-M145 HydrophobicContact CG1-CB 4.09Å; V54-M145 HydrophobicContact CG1-CE 3.83Å; F55-M145 VanDerWaalsContact C-CE 3.43Å; F55-M145 WeakPolarHBondContact O-CE 3.27Å; P56-M145 HydrophobicContact CB-CE 4.38Å; P56-M145 HydrophobicContact CG-CE 4.19Å; K141-M145 WeakPolarHBondContact O-CG 3.23Å; K141-M145 PolarHBondContact O-N 3.33Å; K141-M145 VanDerWaalsContact O-N 3.14Å; F142-M145 CarbonylContact O-C 3.57Å; F142-M145 WeakPolarHBondContact O-CA 3.22Å; F142-M145 WeakPolarHBondContact O-CB 3.47Å; F142-M145 PolarHBondContact O-N 2.84Å; F142-M145 VanDerWaalsContact O-N 3.1Å; E143-M145 VanDerWaalsContact C-N 3.25Å; E143-M145 PolarHBondContact O-N 2.96Å; M145-Q148 PolarHBondContact O-N 2.89Å; M145-A149 WeakPolarHBondContact O-CB 3.43Å; M145-A149 PolarHBondContact O-N 2.89Å
146	L	82	Confident	72.6	Confident	71 Å²	71	90.3 Å²	90.3	37%	0.372	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-44	172.8	-75.6	174.3	0	0	0	111.3	V54 F142 E143 Q148 A149 S150	V54-L146 HydrophobicContact CG2-CD2 4.06Å; F142-L146 HydrophobicContact CD1-CD1 3.83Å; F142-L146 HydrophobicContact CD1-CG 4.23Å; F142-L146 HydrophobicContact CE1-CD1 3.56Å; F142-L146 HydrophobicContact CE1-CD2 4.37Å; F142-L146 HydrophobicContact CE1-CG 3.94Å; F142-L146 HydrophobicContact CZ-CD1 4.39Å; F142-L146 HydrophobicContact CZ-CD2 4.44Å; F142-L146 HydrophobicContact CZ-CG 4.37Å; F142-L146 PolarHBondContact O-N 3.35Å; E143-L146 PolarHBondContact O-N 3.26Å; L146-Q148 VanDerWaalsContact C-N 3.29Å; L146-Q148 PolarHBondContact O-N 2.99Å; L146-A149 PolarHBondContact O-N 3.09Å; L146-S150 VanDerWaalsContact O-CB 3.31Å; L146-S150 WeakPolarHBondContact O-CB 3.48Å; L146-S150 PolarHBondContact O-N 3.22Å; L146-S150 PolarHBondContact O-OG 3.4Å
147	K	79.5	Confident	69.9	Low	148 Å²	148	90.2 Å²	90.2	64%	0.643	44%	0.437	S	S	*	.	H	α-helix	trans	-61.5	-35.3	174.3	-72.4	-179.9	-176.9	-177.4	0	112.3	E143 K144 S150 S151	E143-K147 WeakPolarHBondContact O-CB 3.35Å; E143-K147 WeakPolarHBondContact O-CG 3.29Å; E143-K147 PolarHBondContact O-N 2.97Å; K144-K147 PolarHBondContact O-N 3Å; K147-S150 WeakPolarHBondContact CA-OG 3.4Å; K147-S150 PolarHBondContact O-OG 3.05Å; K147-S150 VanDerWaalsContact O-OG 3.1Å; K147-S151 WeakPolarHBondContact O-CB 3.41Å; K147-S151 PolarHBondContact O-N 2.8Å; K147-S151 PolarHBondContact O-OG 3.49Å
148	Q	75.6	Confident	67.1	Low	72 Å²	72	93.6 Å²	93.6	34%	0.336	45%	0.449	S	S	.	.	H	α-helix	trans	-75.5	-38	175.5	-74.5	177.3	8	0	0	112.8	K144 M145 L146 S151 S152	K144-Q148 VanDerWaalsContact O-CG 3.3Å; K144-Q148 WeakPolarHBondContact O-CG 3.46Å; K144-Q148 PolarHBondContact O-N 3.1Å; M145-Q148 PolarHBondContact O-N 2.89Å; L146-Q148 VanDerWaalsContact C-N 3.29Å; L146-Q148 PolarHBondContact O-N 2.99Å; Q148-S151 WeakPolarHBondContact CA-OG 3.42Å; Q148-S151 PolarHBondContact O-N 2.88Å; Q148-S151 PolarHBondContact O-OG 2.57Å; Q148-S151 VanDerWaalsContact O-OG 3.05Å; Q148-S152 VanDerWaalsContact O-CB 3.28Å; Q148-S152 WeakPolarHBondContact O-CB 3.23Å; Q148-S152 PolarHBondContact O-N 3.15Å; Q148-S152 PolarHBondContact O-OG 3.3Å
149	A	67.2	Low	64.6	Low	36 Å²	36	100.7 Å²	100.7	30%	0.298	48%	0.483	S	S	.	.	H	α-helix	trans	-69.9	-40.9	176.6	0	0	0	0	0	110.8	V54 M145 L146 S152 K153	V54-A149 HydrophobicContact CG1-CB 4.41Å; M145-A149 WeakPolarHBondContact O-CB 3.43Å; M145-A149 PolarHBondContact O-N 2.89Å; L146-A149 PolarHBondContact O-N 3.09Å; A149-S152 PolarHBondContact O-N 3.24Å; A149-K153 WeakPolarHBondContact O-CB 3.31Å; A149-K153 PolarHBondContact O-N 2.87Å
150	S	59.4	Low	62.2	Low	62 Å²	62	105.8 Å²	105.8	43%	0.434	50%	0.503	S	S	.	.	H	α-helix	trans	-67.1	-42.5	170.9	64	0	0	0	0	110.5	L146 K147 S152 K153 V154	L146-S150 VanDerWaalsContact O-CB 3.31Å; L146-S150 WeakPolarHBondContact O-CB 3.48Å; L146-S150 PolarHBondContact O-N 3.22Å; L146-S150 PolarHBondContact O-OG 3.4Å; K147-S150 WeakPolarHBondContact CA-OG 3.4Å; K147-S150 PolarHBondContact O-OG 3.05Å; K147-S150 VanDerWaalsContact O-OG 3.1Å; S150-S152 VanDerWaalsContact C-N 3.28Å; S150-S152 PolarHBondContact O-N 2.86Å; S150-K153 PolarHBondContact O-N 3.09Å; S150-V154 WeakPolarHBondContact O-CA 3.31Å; S150-V154 WeakPolarHBondContact O-CB 3.3Å; S150-V154 WeakPolarHBondContact O-CG2 3.21Å; S150-V154 PolarHBondContact O-N 3.41Å
151	S	53.4	Low	60.1	Low	58 Å²	58	100.8 Å²	100.8	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-27.7	175.1	78.6	0	0	0	0	113.7	K147 Q148 V154 K155	K147-S151 WeakPolarHBondContact O-CB 3.41Å; K147-S151 PolarHBondContact O-N 2.8Å; K147-S151 PolarHBondContact O-OG 3.49Å; Q148-S151 WeakPolarHBondContact CA-OG 3.42Å; Q148-S151 PolarHBondContact O-N 2.88Å; Q148-S151 PolarHBondContact O-OG 2.57Å; Q148-S151 VanDerWaalsContact O-OG 3.05Å; S151-V154 CarbonylContact O-C 3.53Å; S151-K155 WeakPolarHBondContact O-CB 3.49Å; S151-K155 PolarHBondContact O-N 2.89Å
152	S	51	Low	58.2	Low	73 Å²	73	99.6 Å²	99.6	51%	0.51	49%	0.493	S	S	.	.	H	α-helix	trans	-79.4	-42.5	175.9	-56.7	0	0	0	0	111.6	Q148 A149 S150 V154 K155 Q156	Q148-S152 VanDerWaalsContact O-CB 3.28Å; Q148-S152 WeakPolarHBondContact O-CB 3.23Å; Q148-S152 PolarHBondContact O-N 3.15Å; Q148-S152 PolarHBondContact O-OG 3.3Å; A149-S152 PolarHBondContact O-N 3.24Å; S150-S152 VanDerWaalsContact C-N 3.28Å; S150-S152 PolarHBondContact O-N 2.86Å; S152-V154 PolarHBondContact O-N 3.37Å; S152-K155 PolarHBondContact O-N 3.12Å; S152-Q156 PolarHBondContact O-N 3.36Å
153	K	45.4	Very low	56.9	Low	159 Å²	159	103.2 Å²	103.2	69%	0.691	52%	0.517	S	S	*	.	H	α-helix	trans	-59.4	-43.1	168.1	-79.4	-173.5	176.9	-177.8	0	110	A149 S150 Q156 T157	A149-K153 WeakPolarHBondContact O-CB 3.31Å; A149-K153 PolarHBondContact O-N 2.87Å; S150-K153 PolarHBondContact O-N 3.09Å; K153-Q156 CarbonylContact O-C 3.47Å; K153-Q156 WeakPolarHBondContact O-CA 3.33Å; K153-Q156 PolarHBondContact O-N 3.39Å; K153-Q156 VanDerWaalsContact O-N 3.07Å; K153-T157 PolarHBondContact O-N 3.19Å; K153-T157 PolarHBondContact O-OG1 3.35Å
154	V	37.4	Very low	56	Low	43 Å²	43	100 Å²	100	26%	0.261	50%	0.503	S	S	.	.	H	α-helix	trans	-68.3	-30.8	175.1	169.3	0	0	0	0	111.5	S150 S151 S152 Q156 T157 R158	S150-V154 WeakPolarHBondContact O-CA 3.31Å; S150-V154 WeakPolarHBondContact O-CB 3.3Å; S150-V154 WeakPolarHBondContact O-CG2 3.21Å; S150-V154 PolarHBondContact O-N 3.41Å; S151-V154 CarbonylContact O-C 3.53Å; S152-V154 PolarHBondContact O-N 3.37Å; V154-Q156 PolarHBondContact O-N 3.17Å; V154-T157 WeakPolarHBondContact CA-OG1 3.27Å; V154-T157 PolarHBondContact O-N 3.11Å; V154-R158 HydrophobicContact CG1-CB 3.66Å; V154-R158 HydrophobicContact CG1-CG 3.4Å; V154-R158 VanDerWaalsContact CG1-NE 3.34Å; V154-R158 VanDerWaalsContact O-CA 3.31Å; V154-R158 WeakPolarHBondContact O-CA 3.49Å; V154-R158 WeakPolarHBondContact O-CB 3.29Å; V154-R158 PolarHBondContact O-N 3.44Å
155	K	37.2	Very low	55.5	Low	172 Å²	172	96.8 Å²	96.8	75%	0.748	49%	0.492	S	S	*	.	H	α-helix	trans	-68.8	-24.9	170.1	-87.4	-172.1	175.2	-173.4	0	112.2	S151 S152	S151-K155 WeakPolarHBondContact O-CB 3.49Å; S151-K155 PolarHBondContact O-N 2.89Å; S152-K155 PolarHBondContact O-N 3.12Å
156	Q	39.6	Very low	55.2	Low	173 Å²	173	99.2 Å²	99.2	81%	0.808	51%	0.505	S	S	*	.	H	α-helix	trans	-87.6	-22.2	169.7	-72.4	-176.8	-6.5	0	0	114	S152 K153 V154	S152-Q156 PolarHBondContact O-N 3.36Å; K153-Q156 CarbonylContact O-C 3.47Å; K153-Q156 WeakPolarHBondContact O-CA 3.33Å; K153-Q156 PolarHBondContact O-N 3.39Å; K153-Q156 VanDerWaalsContact O-N 3.07Å; V154-Q156 PolarHBondContact O-N 3.17Å
157	T	36.5	Very low	55.2	Low	87 Å²	87	101.6 Å²	101.6	53%	0.534	52%	0.518	S	S	.	.	H	α-helix	trans	-108.4	-24.2	179.5	49.7	0	0	0	0	116.1	K153 V154 E159 K160 S161	K153-T157 PolarHBondContact O-N 3.19Å; K153-T157 PolarHBondContact O-OG1 3.35Å; V154-T157 WeakPolarHBondContact CA-OG1 3.27Å; V154-T157 PolarHBondContact O-N 3.11Å; T157-E159 PolarHBondContact O-N 2.93Å; T157-K160 CarbonylContact O-C 3.4Å; T157-K160 WeakPolarHBondContact O-CA 3.46Å; T157-K160 PolarHBondContact O-N 3.2Å; T157-S161 PolarHBondContact O-N 3.21Å
158	R	32.7	Very low	55.4	Low	199 Å²	199	98.6 Å²	98.6	75%	0.751	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.3	168.3	-101	179.1	-159.1	178.7	-3.6	113	V154	V154-R158 HydrophobicContact CG1-CB 3.66Å; V154-R158 HydrophobicContact CG1-CG 3.4Å; V154-R158 VanDerWaalsContact CG1-NE 3.34Å; V154-R158 VanDerWaalsContact O-CA 3.31Å; V154-R158 WeakPolarHBondContact O-CA 3.49Å; V154-R158 WeakPolarHBondContact O-CB 3.29Å; V154-R158 PolarHBondContact O-N 3.44Å
159	E	39.8	Very low	55.9	Low	171 Å²	171	95.4 Å²	95.4	80%	0.799	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.6	162.3	-69.9	-164.9	164.7	0	0	112.6	T157	T157-E159 PolarHBondContact O-N 2.93Å
160	K	41.7	Very low	57	Low	148 Å²	148	94.3 Å²	94.3	64%	0.643	48%	0.48	S	S	*	.	S	Bend	trans	-143.2	34.6	175.5	-69.5	-167	176.2	-170.4	0	114.8	T157 N162	T157-K160 CarbonylContact O-C 3.4Å; T157-K160 WeakPolarHBondContact O-CA 3.46Å; T157-K160 PolarHBondContact O-N 3.2Å; K160-N162 PolarHBondContact O-N 3.44Å
161	S	45.1	Very low	58.5	Low	70 Å²	70	93 Å²	93	49%	0.49	47%	0.469	S	S	.	.			trans	-76	76.9	161.3	65.2	0	0	0	0	107.3	T157 T163	T157-S161 PolarHBondContact O-N 3.21Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 2.87Å
162	N	51.3	Low	60.3	Low	70 Å²	70	93.2 Å²	93.2	37%	0.374	47%	0.465	S	S	.	.			trans	-63.7	99.9	169.8	-77.5	3	0	0	0	106.4	K160 I164 D625 N627	K160-N162 PolarHBondContact O-N 3.44Å; N162-I164 PolarHBondContact O-N 2.79Å; N162-D625 PolarHBondContact ND2-O 2.95Å; N162-D625 PolarHBondContact OD1-O 2.93Å; N162-N627 PolarHBondContact ND2-OD1 3.32Å
163	T	61.5	Low	62.2	Low	98 Å²	98	92.5 Å²	92.5	60%	0.601	46%	0.455	S	S	*	.			trans	-71.3	3.6	178.2	28.1	0	0	0	0	113.2	S161 D165 D625	S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 2.87Å; T163-D165 PolarHBondContact O-N 3.4Å; T163-D165 VanDerWaalsContact O-N 3.14Å; T163-D625 PolarHBondContact OG1-OD1 3.45Å; T163-D625 PolarHBondContact OG1-OD2 3.38Å
164	I	69.3	Low	64.3	Low	25 Å²	25	85.5 Å²	85.5	13%	0.128	43%	0.426	C	S	.	.			trans	-62.3	119.1	178.3	-48.7	-176	0	0	0	108.9	N162 I166 V169 D625	N162-I164 PolarHBondContact O-N 2.79Å; I164-I166 PolarHBondContact O-N 3.45Å; I164-I166 VanDerWaalsContact O-N 3.09Å; I164-V169 HydrophobicContact CG2-CG2 3.31Å; I164-D625 HydrophobicContact CD1-CB 4.05Å; I164-D625 WeakPolarHBondContact CD1-O 3.38Å; I164-D625 HydrophobicContact CG1-CB 3.69Å
165	D	76.8	Confident	66.8	Low	74 Å²	74	90 Å²	90	40%	0.396	45%	0.449	S	S	.	.			trans	-58.7	113.3	173.4	-176.7	-4.4	0	0	0	109.8	T163 N167 K168 V169	T163-D165 PolarHBondContact O-N 3.4Å; T163-D165 VanDerWaalsContact O-N 3.14Å; D165-N167 PolarHBondContact O-N 3.34Å; D165-N167 WeakPolarHBondContact OD1-CB 3.22Å; D165-N167 PolarHBondContact OD1-N 3.43Å; D165-K168 HydrophobicContact CB-CB 4.42Å; D165-K168 HydrophobicContact CB-CD 4.17Å; D165-K168 HydrophobicContact CB-CG 4.08Å; D165-K168 PolarHBondContact O-N 2.83Å; D165-K168 WeakPolarHBondContact OD2-CE 3.44Å; D165-K168 WeakPolarHBondContact OD2-CG 3.35Å; D165-V169 PolarHBondContact O-N 3.1Å
166	I	77.1	Confident	69.2	Low	74 Å²	74	84.1 Å²	84.1	38%	0.379	42%	0.422	S	S	.	.	H	α-helix	trans	-59.5	-38.6	-175.7	-55.9	171.8	0	0	0	110.1	I164 K168 V169 L170 I183 K187	I164-I166 PolarHBondContact O-N 3.45Å; I164-I166 VanDerWaalsContact O-N 3.09Å; I166-K168 PolarHBondContact O-N 2.91Å; I166-V169 PolarHBondContact O-N 2.99Å; I166-V169 VanDerWaalsContact O-N 3.17Å; I166-L170 PolarHBondContact O-N 3.32Å; I166-I183 HydrophobicContact CG2-CG2 4.47Å; I166-K187 VanDerWaalsContact CG1-CE 3.47Å
167	N	81.3	Confident	71.6	Confident	121 Å²	121	83.4 Å²	83.4	65%	0.647	42%	0.422	S	S	*	.	H	α-helix	trans	-69.7	-24.2	-174.6	-62.7	-22.7	0	0	0	111.7	D165 V171	D165-N167 PolarHBondContact O-N 3.34Å; D165-N167 WeakPolarHBondContact OD1-CB 3.22Å; D165-N167 PolarHBondContact OD1-N 3.43Å; N167-V171 WeakPolarHBondContact O-CG2 3.45Å
168	K	84.4	Confident	74.1	Confident	86 Å²	86	80.2 Å²	80.2	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-81.8	-29.4	174.1	-61.7	-174	-176.9	-167.5	0	113.1	D165 I166 T268 S573 S576	D165-K168 HydrophobicContact CB-CB 4.42Å; D165-K168 HydrophobicContact CB-CD 4.17Å; D165-K168 HydrophobicContact CB-CG 4.08Å; D165-K168 PolarHBondContact O-N 2.83Å; D165-K168 WeakPolarHBondContact OD2-CE 3.44Å; D165-K168 WeakPolarHBondContact OD2-CG 3.35Å; I166-K168 PolarHBondContact O-N 2.91Å; K168-T268 WeakPolarHBondContact O-CB 3.02Å; K168-T268 WeakPolarHBondContact O-CG2 3.32Å; K168-T268 PolarHBondContact O-OG1 3.23Å; K168-S573 PolarHBondContact NZ-O 3.23Å; K168-S576 VanDerWaalsContact O-CB 3.32Å; K168-S576 WeakPolarHBondContact O-CB 3.47Å
169	V	86.4	Confident	76.8	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-83.4	-37.6	-179.4	-177.7	0	0	0	0	111.8	I164 D165 I166 T268 T269 R578	I164-V169 HydrophobicContact CG2-CG2 3.31Å; D165-V169 PolarHBondContact O-N 3.1Å; I166-V169 PolarHBondContact O-N 2.99Å; I166-V169 VanDerWaalsContact O-N 3.17Å; V169-T268 WeakPolarHBondContact O-CG2 3.38Å; V169-T269 PolarHBondContact O-N 3.04Å; V169-R578 HydrophobicContact CG1-CB 4.49Å; V169-R578 HydrophobicContact CG1-CG 4.21Å; V169-R578 HydrophobicContact CG2-CB 4.24Å
170	L	89.8	Confident	79.2	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.073	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.2	-176.9	176.5	61.7	0	0	0	109.6	I166 L178 I183 L186 T269 I271	I166-L170 PolarHBondContact O-N 3.32Å; L170-L178 HydrophobicContact CD2-CD1 3.82Å; L170-I183 HydrophobicContact CD2-CG1 4.44Å; L170-L186 HydrophobicContact CD1-CB 4.05Å; L170-L186 HydrophobicContact CD1-CD1 3.91Å; L170-L186 HydrophobicContact CD2-CB 4.08Å; L170-L186 HydrophobicContact CD2-CD1 4.26Å; L170-T269 WeakPolarHBondContact CA-O 3.38Å; L170-T269 HydrophobicContact CD1-CG2 4.36Å; L170-I271 HydrophobicContact CD1-CD1 4.14Å; L170-I271 HydrophobicContact CD1-CG1 4.12Å
171	V	90	Very high	81.6	Confident	34 Å²	34	66 Å²	66	21%	0.206	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.5	174.4	177	0	0	0	0	107.6	N167 L173 T268 T269 V270 I271 I344	N167-V171 WeakPolarHBondContact O-CG2 3.45Å; V171-L173 HydrophobicContact CG1-CD1 4.42Å; V171-L173 HydrophobicContact CG1-CD2 3.69Å; V171-L173 HydrophobicContact CG1-CG 3.86Å; V171-T268 HydrophobicContact CB-CG2 4.25Å; V171-T268 HydrophobicContact CG2-CG2 3.64Å; V171-T269 PolarHBondContact N-O 2.7Å; V171-V270 WeakPolarHBondContact O-CA 3.22Å; V171-I271 PolarHBondContact O-N 2.81Å; V171-I344 HydrophobicContact CG2-CD1 4.26Å
172	N	91.8	Very high	83.8	Confident	62 Å²	62	62.7 Å²	62.7	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	107.4	175.6	-171.8	16.8	0	0	0	109.4	S174 R176 L178	N172-S174 WeakPolarHBondContact OD1-CB 3.41Å; N172-S174 PolarHBondContact OD1-N 3.03Å; N172-S174 VanDerWaalsContact OD1-N 3.1Å; N172-S174 PolarHBondContact OD1-OG 3.12Å; N172-R176 PolarHBondContact ND2-O 2.87Å; N172-L178 HydrophobicContact CB-CD1 4.33Å
173	L	90.5	Very high	85.6	Confident	58 Å²	58	61.8 Å²	61.8	30%	0.304	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	15.3	174	-51.3	173.4	0	0	0	111.2	V171 V270 I271 M272 I349	V171-L173 HydrophobicContact CG1-CD1 4.42Å; V171-L173 HydrophobicContact CG1-CD2 3.69Å; V171-L173 HydrophobicContact CG1-CG 3.86Å; L173-V270 HydrophobicContact CD1-CG1 3.87Å; L173-V270 HydrophobicContact CG-CG1 4.33Å; L173-I271 WeakPolarHBondContact CA-O 3.16Å; L173-I271 WeakPolarHBondContact CB-O 3.37Å; L173-I271 PolarHBondContact N-O 3.15Å; L173-M272 HydrophobicContact CB-CG 4.22Å; L173-M272 HydrophobicContact CD1-CE 4.46Å; L173-M272 HydrophobicContact CD1-CG 4.13Å; L173-M272 HydrophobicContact CD1-SD 4.44Å; L173-I349 HydrophobicContact CD1-CD1 3.59Å; L173-I349 HydrophobicContact CD1-CG2 3.85Å; L173-I349 HydrophobicContact CD2-CD1 3.74Å; L173-I349 HydrophobicContact CG-CD1 4.32Å
174	S	90.5	Very high	87	Confident	12 Å²	12	59.3 Å²	59.3	8%	0.084	32%	0.316	C	S	.	.	S	Bend	trans	-104.2	157.6	177.3	72.7	0	0	0	0	110.6	N172 R176 N273	N172-S174 WeakPolarHBondContact OD1-CB 3.41Å; N172-S174 PolarHBondContact OD1-N 3.03Å; N172-S174 VanDerWaalsContact OD1-N 3.1Å; N172-S174 PolarHBondContact OD1-OG 3.12Å; S174-R176 PolarHBondContact O-N 3.5Å; S174-N273 WeakPolarHBondContact CA-OD1 3.41Å; S174-N273 VanDerWaalsContact CB-OD1 3.29Å; S174-N273 WeakPolarHBondContact CB-OD1 3.1Å
175	D	89.4	Confident	88	Confident	137 Å²	137	58.1 Å²	58.1	73%	0.733	31%	0.31	S	S	*	.	S	Bend	trans	-72.9	-10.8	176.4	-53	-45.7	0	0	0	112	I177 N273	D175-I177 PolarHBondContact O-N 3.02Å; D175-N273 PolarHBondContact N-OD1 3.28Å; D175-N273 PolarHBondContact OD2-ND2 2.93Å
176	R	87.9	Confident	88.7	Confident	50 Å²	50	54.7 Å²	54.7	19%	0.189	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-72.2	117.5	-178.8	-171.4	-173.7	-175.3	-83.1	0.8	110.7	N172 S174 L178 E182 L252 D255 I258	N172-R176 PolarHBondContact ND2-O 2.87Å; S174-R176 PolarHBondContact O-N 3.5Å; R176-L178 PolarHBondContact O-N 3.09Å; R176-E182 IonicContact CZ-OE1 2.92Å; R176-E182 IonicContact CZ-OE2 3.53Å; R176-E182 IonicContact NH1-OE1 3.68Å; R176-E182 PolarHBondContact NH1-OE1 3.17Å; R176-E182 VanDerWaalsContact NH1-OE1 3.11Å; R176-E182 IonicContact NH1-OE2 3.61Å; R176-E182 PolarHBondContact NH1-OE2 2.62Å; R176-E182 IonicContact NH2-OE1 3.87Å; R176-E182 PolarHBondContact NH2-OE1 3.3Å; R176-E182 IonicContact NH2-OE2 3.72Å; R176-L252 VanDerWaalsContact NH1-CD2 3.31Å; R176-D255 VanDerWaalsContact CD-OD2 3.26Å; R176-D255 WeakPolarHBondContact CD-OD2 3.4Å; R176-D255 IonicContact CZ-OD2 3.35Å; R176-D255 IonicContact NE-OD2 3.73Å; R176-D255 PolarHBondContact NE-OD2 3.37Å; R176-D255 IonicContact NH2-OD2 2.81Å; R176-I258 HydrophobicContact CB-CG2 3.97Å
177	I	89.2	Confident	89.2	Confident	158 Å²	158	54.5 Å²	54.5	81%	0.81	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-71.1	124	172.5	-56.5	173.3	0	0	0	109.2	D175	D175-I177 PolarHBondContact O-N 3.02Å
178	L	88.9	Confident	89.5	Confident	20 Å²	20	50.2 Å²	50.2	11%	0.105	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-88.7	133.3	178.8	-55.7	178.5	0	0	0	110.7	L170 N172 R176 E182 I183 L186 I271	L170-L178 HydrophobicContact CD2-CD1 3.82Å; N172-L178 HydrophobicContact CB-CD1 4.33Å; R176-L178 PolarHBondContact O-N 3.09Å; L178-E182 WeakPolarHBondContact CA-OE2 3.05Å; L178-E182 HydrophobicContact CB-CB 4.42Å; L178-I183 HydrophobicContact CB-CD1 4.15Å; L178-I183 HydrophobicContact CB-CG1 3.72Å; L178-I183 HydrophobicContact CD1-CG1 4.27Å; L178-L186 HydrophobicContact CD1-CD1 4.28Å; L178-I271 HydrophobicContact CD1-CD1 3.56Å; L178-I271 HydrophobicContact CD2-CD1 3.79Å; L178-I271 HydrophobicContact CG-CD1 4.25Å
179	N	90.4	Very high	89.7	Confident	60 Å²	60	46.2 Å²	46.2	32%	0.321	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-77	166.3	172.8	67.6	54.8	0	0	0	111.8	H181 E182 I183	N179-H181 PolarHBondContact O-N 3.09Å; N179-H181 WeakPolarHBondContact OD1-CA 3.37Å; N179-H181 WeakPolarHBondContact OD1-CB 3.49Å; N179-H181 PolarHBondContact OD1-N 3.42Å; N179-E182 PolarHBondContact N-OE2 3.16Å; N179-E182 PolarHBondContact ND2-OE1 3.15Å; N179-E182 PolarHBondContact ND2-OE2 2.81Å; N179-E182 PolarHBondContact O-N 3.03Å; N179-E182 WeakPolarHBondContact OD1-CG 3.49Å; N179-E182 PolarHBondContact OD1-N 3Å; N179-I183 WeakPolarHBondContact O-CG1 3.23Å; N179-I183 PolarHBondContact O-N 3.38Å
180	S	89.7	Confident	90	Very high	85 Å²	85	46.2 Å²	46.2	59%	0.594	25%	0.246	S	C	*	.	H	α-helix	trans	-60.1	-30.1	-177.1	62.1	0	0	0	0	113.6	S184	S180-S184 WeakPolarHBondContact O-CB 3.31Å; S180-S184 PolarHBondContact O-N 2.95Å
181	H	92	Very high	90	Very high	73 Å²	73	48.1 Å²	48.1	34%	0.338	26%	0.256	S	S	.	.	H	α-helix	trans	-77.7	-38	178.7	-60.8	-50.9	0	0	0	112.5	N179 S184 L185 N244 S248	N179-H181 PolarHBondContact O-N 3.09Å; N179-H181 WeakPolarHBondContact OD1-CA 3.37Å; N179-H181 WeakPolarHBondContact OD1-CB 3.49Å; N179-H181 PolarHBondContact OD1-N 3.42Å; H181-S184 WeakPolarHBondContact O-CB 3.48Å; H181-S184 PolarHBondContact O-N 2.94Å; H181-L185 WeakPolarHBondContact O-CB 3.33Å; H181-L185 PolarHBondContact O-N 3.23Å; H181-N244 HydrophobicContact CB-CB 4.29Å; H181-N244 PolarHBondContact CE1-ND2 3.28Å; H181-N244 VanDerWaalsContact CE1-ND2 3.34Å; H181-N244 PolarHBondContact NE2-ND2 3.44Å; H181-S248 WeakPolarHBondContact CB-OG 3.38Å
182	E	90.9	Very high	90.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-43.1	172	-72.9	171.7	161.2	0	0	111	R176 L178 N179 L185 L186 L252	R176-E182 IonicContact CZ-OE1 2.92Å; R176-E182 IonicContact CZ-OE2 3.53Å; R176-E182 IonicContact NH1-OE1 3.68Å; R176-E182 PolarHBondContact NH1-OE1 3.17Å; R176-E182 VanDerWaalsContact NH1-OE1 3.11Å; R176-E182 IonicContact NH1-OE2 3.61Å; R176-E182 PolarHBondContact NH1-OE2 2.62Å; R176-E182 IonicContact NH2-OE1 3.87Å; R176-E182 PolarHBondContact NH2-OE1 3.3Å; R176-E182 IonicContact NH2-OE2 3.72Å; L178-E182 WeakPolarHBondContact CA-OE2 3.05Å; L178-E182 HydrophobicContact CB-CB 4.42Å; N179-E182 PolarHBondContact N-OE2 3.16Å; N179-E182 PolarHBondContact ND2-OE1 3.15Å; N179-E182 PolarHBondContact ND2-OE2 2.81Å; N179-E182 PolarHBondContact O-N 3.03Å; N179-E182 WeakPolarHBondContact OD1-CG 3.49Å; N179-E182 PolarHBondContact OD1-N 3Å; E182-L185 WeakPolarHBondContact O-CB 3.21Å; E182-L185 PolarHBondContact O-N 2.82Å; E182-L186 WeakPolarHBondContact O-CB 3.4Å; E182-L186 VanDerWaalsContact O-CG 3.31Å; E182-L186 WeakPolarHBondContact O-CG 3.14Å; E182-L186 PolarHBondContact O-N 3.46Å; E182-L252 HydrophobicContact CB-CD1 4.38Å; E182-L252 HydrophobicContact CG-CD1 4.15Å; E182-L252 HydrophobicContact CG-CD2 4.41Å; E182-L252 HydrophobicContact CG-CG 4.19Å
183	I	90.7	Very high	90.3	Very high	50 Å²	50	43.7 Å²	43.7	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-45.9	173.8	-66.5	169.4	0	0	0	110	I166 L170 L178 N179 L185 L186 K187	I166-I183 HydrophobicContact CG2-CG2 4.47Å; L170-I183 HydrophobicContact CD2-CG1 4.44Å; L178-I183 HydrophobicContact CB-CD1 4.15Å; L178-I183 HydrophobicContact CB-CG1 3.72Å; L178-I183 HydrophobicContact CD1-CG1 4.27Å; N179-I183 WeakPolarHBondContact O-CG1 3.23Å; N179-I183 PolarHBondContact O-N 3.38Å; I183-L185 VanDerWaalsContact C-N 3.32Å; I183-L185 PolarHBondContact O-N 3.46Å; I183-L186 PolarHBondContact O-N 2.87Å; I183-K187 HydrophobicContact CG2-CD 3.87Å; I183-K187 HydrophobicContact CG2-CG 4.27Å; I183-K187 VanDerWaalsContact O-CB 3.28Å; I183-K187 WeakPolarHBondContact O-CB 3.28Å; I183-K187 WeakPolarHBondContact O-CD 3.14Å; I183-K187 WeakPolarHBondContact O-CG 3.47Å; I183-K187 PolarHBondContact O-N 2.8Å
184	S	90	Very high	90.3	Very high	47 Å²	47	41.8 Å²	41.8	33%	0.329	22%	0.221	S	C	.	.	H	α-helix	trans	-57.3	-44.1	175.2	-175.4	0	0	0	0	112.4	S180 H181 E245	S180-S184 WeakPolarHBondContact O-CB 3.31Å; S180-S184 PolarHBondContact O-N 2.95Å; H181-S184 WeakPolarHBondContact O-CB 3.48Å; H181-S184 PolarHBondContact O-N 2.94Å; S184-E245 PolarHBondContact OG-OE1 3.41Å
185	L	91.1	Very high	90.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-53.1	177.2	171.8	68.4	0	0	0	111.7	H181 E182 I183 K187 K188 M241 E245 L249 L252 I687	H181-L185 WeakPolarHBondContact O-CB 3.33Å; H181-L185 PolarHBondContact O-N 3.23Å; E182-L185 WeakPolarHBondContact O-CB 3.21Å; E182-L185 PolarHBondContact O-N 2.82Å; I183-L185 VanDerWaalsContact C-N 3.32Å; I183-L185 PolarHBondContact O-N 3.46Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.87Å; L185-K188 VanDerWaalsContact O-CB 3.3Å; L185-K188 WeakPolarHBondContact O-CB 3.46Å; L185-K188 PolarHBondContact O-N 3.48Å; L185-K188 VanDerWaalsContact O-N 3.13Å; L185-M241 HydrophobicContact CD1-CE 3.19Å; L185-M241 HydrophobicContact CD1-SD 4.37Å; L185-E245 HydrophobicContact CB-CB 4.49Å; L185-E245 HydrophobicContact CB-CG 4.4Å; L185-E245 HydrophobicContact CD1-CB 4.44Å; L185-L249 HydrophobicContact CD1-CD1 4.42Å; L185-L249 HydrophobicContact CD2-CB 3.83Å; L185-L249 HydrophobicContact CD2-CD1 4Å; L185-L252 HydrophobicContact CD2-CD1 3.98Å; L185-I687 HydrophobicContact CD1-CD1 3.66Å; L185-I687 HydrophobicContact CD1-CG1 4.36Å; L185-I687 HydrophobicContact CG-CD1 4.42Å
186	L	90.3	Very high	89.9	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-71.7	-29	-174.4	-65.5	175.5	0	0	0	112.4	L170 L178 E182 I183 K188 S189 L252 T269 I271 L691	L170-L186 HydrophobicContact CD1-CB 4.05Å; L170-L186 HydrophobicContact CD1-CD1 3.91Å; L170-L186 HydrophobicContact CD2-CB 4.08Å; L170-L186 HydrophobicContact CD2-CD1 4.26Å; L178-L186 HydrophobicContact CD1-CD1 4.28Å; E182-L186 WeakPolarHBondContact O-CB 3.4Å; E182-L186 VanDerWaalsContact O-CG 3.31Å; E182-L186 WeakPolarHBondContact O-CG 3.14Å; E182-L186 PolarHBondContact O-N 3.46Å; I183-L186 PolarHBondContact O-N 2.87Å; L186-K188 PolarHBondContact O-N 3.33Å; L186-S189 PolarHBondContact O-N 2.85Å; L186-L252 HydrophobicContact CD1-CD1 4.19Å; L186-L252 HydrophobicContact CD2-CD1 4.19Å; L186-L252 HydrophobicContact CG-CD1 4.23Å; L186-T269 HydrophobicContact CD2-CG2 4.3Å; L186-I271 HydrophobicContact CD1-CD1 3.5Å; L186-I271 HydrophobicContact CD1-CG1 4.35Å; L186-L691 HydrophobicContact CD2-CD1 3.81Å
187	K	87.6	Confident	89.7	Confident	71 Å²	71	39.6 Å²	39.6	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-57.2	-26.9	169.6	-81	171.1	176	-179.1	0	113.2	I166 I183 L185 S189 R578	I166-K187 VanDerWaalsContact CG1-CE 3.47Å; I183-K187 HydrophobicContact CG2-CD 3.87Å; I183-K187 HydrophobicContact CG2-CG 4.27Å; I183-K187 VanDerWaalsContact O-CB 3.28Å; I183-K187 WeakPolarHBondContact O-CB 3.28Å; I183-K187 WeakPolarHBondContact O-CD 3.14Å; I183-K187 WeakPolarHBondContact O-CG 3.47Å; I183-K187 PolarHBondContact O-N 2.8Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.87Å; K187-S189 PolarHBondContact O-N 3.45Å; K187-S189 VanDerWaalsContact O-N 3.14Å; K187-R578 PolarHBondContact O-NE 3.37Å; K187-R578 PolarHBondContact O-NH2 3.47Å
188	K	88.5	Confident	89.5	Confident	30 Å²	30	37.6 Å²	37.6	13%	0.13	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.6	175.9	-65.9	177.1	-176.3	-70.3	0	113	L185 L186 F192 E245 I687	L185-K188 VanDerWaalsContact O-CB 3.3Å; L185-K188 WeakPolarHBondContact O-CB 3.46Å; L185-K188 PolarHBondContact O-N 3.48Å; L185-K188 VanDerWaalsContact O-N 3.13Å; L186-K188 PolarHBondContact O-N 3.33Å; K188-F192 HydrophobicContact CB-CB 3.92Å; K188-F192 HydrophobicContact CB-CD1 4.44Å; K188-F192 HydrophobicContact CB-CD2 3.77Å; K188-F192 HydrophobicContact CB-CE2 4.39Å; K188-F192 HydrophobicContact CB-CG 3.79Å; K188-F192 HydrophobicContact CD-CD1 4.2Å; K188-F192 HydrophobicContact CD-CD2 4.23Å; K188-F192 HydrophobicContact CD-CE1 4.07Å; K188-F192 HydrophobicContact CD-CE2 4.1Å; K188-F192 HydrophobicContact CD-CG 4.29Å; K188-F192 HydrophobicContact CD-CZ 4.02Å; K188-F192 HydrophobicContact CG-CD2 4.27Å; K188-F192 HydrophobicContact CG-CE2 4.41Å; K188-E245 WeakPolarHBondContact CE-OE1 3.41Å; K188-E245 IonicContact NZ-OE1 2.88Å; K188-I687 HydrophobicContact CB-CD1 4.16Å
189	S	88.6	Confident	89.3	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.198	C	C	.	.			trans	73.4	154.6	-171.9	83.5	0	0	0	0	113.9	L186 K187 N191 F192	L186-S189 PolarHBondContact O-N 2.85Å; K187-S189 PolarHBondContact O-N 3.45Å; K187-S189 VanDerWaalsContact O-N 3.14Å; S189-N191 PolarHBondContact O-N 2.8Å; S189-F192 VanDerWaalsContact O-CB 3.29Å; S189-F192 WeakPolarHBondContact O-CB 3.41Å; S189-F192 PolarHBondContact O-N 3.31Å; S189-F192 VanDerWaalsContact O-N 3.1Å
190	L	91.5	Very high	89.1	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.4	178.9	-65.8	175.3	0	0	0	113.5	F192 I260 K262 T269 I687 R688 V692	L190-F192 VanDerWaalsContact C-N 3.26Å; L190-F192 PolarHBondContact O-N 2.87Å; L190-I260 HydrophobicContact CD2-CG2 4.15Å; L190-K262 HydrophobicContact CD1-CB 4.03Å; L190-T269 HydrophobicContact CD1-CG2 4.12Å; L190-T269 HydrophobicContact CD2-CG2 4.01Å; L190-T269 HydrophobicContact CG-CG2 3.95Å; L190-I687 HydrophobicContact CD2-CG2 4.05Å; L190-I687 PolarHBondContact O-N 3.21Å; L190-R688 HydrophobicContact CB-CB 3.94Å; L190-R688 HydrophobicContact CB-CG 4.41Å; L190-R688 VanDerWaalsContact O-CB 3.29Å; L190-R688 WeakPolarHBondContact O-CB 3.36Å; L190-R688 PolarHBondContact O-N 3.19Å; L190-V692 HydrophobicContact CD1-CG2 3.8Å; L190-V692 HydrophobicContact CD2-CG2 3.83Å; L190-V692 HydrophobicContact CG-CG2 4.4Å
191	N	91.4	Very high	88.9	Confident	54 Å²	54	34.4 Å²	34.4	29%	0.289	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.7	179.5	-61.1	-25.6	0	0	0	113.1	S189 N193 N267 H586	S189-N191 PolarHBondContact O-N 2.8Å; N191-N193 PolarHBondContact O-N 2.77Å; N191-N267 PolarHBondContact ND2-OD1 2.82Å; N191-H586 PolarHBondContact O-CE1 3Å; N191-H586 VanDerWaalsContact O-CE1 3.31Å
192	F	93	Very high	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.3	125.1	176.4	-169.3	-90.3	0	0	0	110.3	K188 S189 L190 N240 M241 D581 D583 T686 I687	K188-F192 HydrophobicContact CB-CB 3.92Å; K188-F192 HydrophobicContact CB-CD1 4.44Å; K188-F192 HydrophobicContact CB-CD2 3.77Å; K188-F192 HydrophobicContact CB-CE2 4.39Å; K188-F192 HydrophobicContact CB-CG 3.79Å; K188-F192 HydrophobicContact CD-CD1 4.2Å; K188-F192 HydrophobicContact CD-CD2 4.23Å; K188-F192 HydrophobicContact CD-CE1 4.07Å; K188-F192 HydrophobicContact CD-CE2 4.1Å; K188-F192 HydrophobicContact CD-CG 4.29Å; K188-F192 HydrophobicContact CD-CZ 4.02Å; K188-F192 HydrophobicContact CG-CD2 4.27Å; K188-F192 HydrophobicContact CG-CE2 4.41Å; S189-F192 VanDerWaalsContact O-CB 3.29Å; S189-F192 WeakPolarHBondContact O-CB 3.41Å; S189-F192 PolarHBondContact O-N 3.31Å; S189-F192 VanDerWaalsContact O-N 3.1Å; L190-F192 VanDerWaalsContact C-N 3.26Å; L190-F192 PolarHBondContact O-N 2.87Å; F192-N240 VanDerWaalsContact CE1-ND2 3.28Å; F192-N240 WeakPolarHBondContact CE1-ND2 3.37Å; F192-N240 VanDerWaalsContact CZ-ND2 3.26Å; F192-N240 WeakPolarHBondContact CZ-ND2 3.46Å; F192-M241 HydrophobicContact CE1-CG 3.97Å; F192-M241 HydrophobicContact CE1-SD 4.41Å; F192-D581 HydrophobicContact CD2-CB 3.76Å; F192-D581 HydrophobicContact CE2-CB 3.96Å; F192-D583 HydrophobicContact CE2-CB 4.29Å; F192-D583 HydrophobicContact CZ-CB 4.49Å; F192-T686 CarbonylContact O-C 3.37Å; F192-T686 VanDerWaalsContact O-CA 3.24Å; F192-T686 WeakPolarHBondContact O-CA 3.33Å; F192-I687 HydrophobicContact CB-CD1 3.76Å; F192-I687 HydrophobicContact CB-CG1 4.17Å; F192-I687 HydrophobicContact CD1-CD1 4.09Å; F192-I687 HydrophobicContact CD1-CG1 4.43Å; F192-I687 HydrophobicContact CG-CD1 4.25Å; F192-I687 PolarHBondContact O-N 2.84Å
193	N	93.4	Very high	88.3	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-99.4	133	179.8	-167.1	51.3	0	0	0	109.7	N191 N240 S584 A585 H586 D685 T686	N191-N193 PolarHBondContact O-N 2.77Å; N193-N240 PolarHBondContact O-ND2 2.92Å; N193-S584 PolarHBondContact N-OG 3.27Å; N193-A585 HydrophobicContact CB-CB 4.2Å; N193-A585 PolarHBondContact ND2-O 3.28Å; N193-A585 VanDerWaalsContact O-CB 3.22Å; N193-A585 WeakPolarHBondContact O-CB 3.48Å; N193-A585 PolarHBondContact O-N 3.34Å; N193-H586 WeakPolarHBondContact CB-CE1 3.43Å; N193-D685 WeakPolarHBondContact OD1-CA 3.32Å; N193-D685 PolarHBondContact OD1-N 3.07Å; N193-D685 PolarHBondContact OD1-O 3.38Å; N193-T686 HydrophobicContact CB-CG2 4.33Å; N193-T686 PolarHBondContact OD1-N 3.39Å
194	I	91.9	Very high	88.2	Confident	19 Å²	19	39.3 Å²	39.3	10%	0.097	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-86	143	-178.9	-51.4	178.4	0	0	0	108.9	R196 N240 M241 L249 D685	I194-R196 PolarHBondContact O-N 3.05Å; I194-N240 WeakPolarHBondContact CA-OD1 3.37Å; I194-M241 HydrophobicContact CB-SD 4.36Å; I194-M241 HydrophobicContact CD1-CE 4.49Å; I194-M241 HydrophobicContact CD1-SD 3.5Å; I194-M241 WeakPolarHBondContact CD1-SD 3.36Å; I194-M241 HydrophobicContact CG1-SD 3.48Å; I194-M241 WeakPolarHBondContact CG1-SD 3.46Å; I194-M241 HydrophobicContact CG2-SD 4.09Å; I194-L249 HydrophobicContact CD1-CD2 3.71Å; I194-D685 HydrophobicContact CB-CB 4.25Å; I194-D685 WeakPolarHBondContact CG1-O 3.43Å; I194-D685 PolarHBondContact N-O 3.46Å
195	N	88.8	Confident	88.1	Confident	32 Å²	32	40.9 Å²	40.9	17%	0.171	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.5	128.6	174	-77.7	-17.1	0	0	0	110.8	Q237 K238 N240 A585	N195-Q237 PolarHBondContact ND2-NE2 2.88Å; N195-Q237 PolarHBondContact OD1-NE2 2.82Å; N195-K238 PolarHBondContact ND2-O 2.98Å; N195-N240 PolarHBondContact N-OD1 2.96Å; N195-N240 PolarHBondContact ND2-N 2.95Å; N195-A585 WeakPolarHBondContact OD1-CB 3.3Å
196	R	82.5	Confident	88	Confident	38 Å²	38	45 Å²	45	14%	0.143	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-74.4	136.5	170.7	-78	-175.3	175.8	-111	-20.4	110.4	I194 R661 D685	I194-R196 PolarHBondContact O-N 3.05Å; R196-R661 PolarHBondContact O-NH1 3.43Å; R196-D685 WeakPolarHBondContact CD-OD2 3.37Å; R196-D685 WeakPolarHBondContact CG-OD2 3.26Å; R196-D685 IonicContact CZ-OD1 3.1Å; R196-D685 IonicContact CZ-OD2 3.2Å; R196-D685 IonicContact NE-OD1 2.57Å; R196-D685 IonicContact NE-OD2 3.49Å; R196-D685 PolarHBondContact NE-OD2 3.3Å; R196-D685 IonicContact NH2-OD1 2.62Å; R196-D685 PolarHBondContact NH2-OD1 3.03Å; R196-D685 IonicContact NH2-OD2 3.15Å; R196-D685 PolarHBondContact NH2-OD2 3.28Å
197	P	82.5	Confident	87.9	Confident	83 Å²	83	46.4 Å²	46.4	54%	0.539	25%	0.249	S	C	.	.	S	Bend	trans	-70.1	-39	172.6	27.4	-32.7	0	0	0	111.6	R661	P197-R661 PolarHBondContact O-NH1 3.38Å; P197-R661 PolarHBondContact O-NH2 3.09Å
198	Q	85.3	Confident	88.1	Confident	115 Å²	115	43.3 Å²	43.3	54%	0.537	24%	0.236	S	C	.	.			trans	-148.2	152.7	173.6	-69.7	-178.9	-19.3	0	0	111.6	Q234 R661	Q198-Q234 VanDerWaalsContact CA-OE1 3.29Å; Q198-Q234 HydrophobicContact CG-CG 4.16Å; Q198-R661 VanDerWaalsContact N-NH1 3.13Å
199	L	86.2	Confident	88.3	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	24%	0.242	C	C	.	.			trans	-83	127.1	166	-78.9	168.3	0	0	0	109.7	I204 L231 Q234 P659 R661 T664 S665	L199-I204 HydrophobicContact CB-CD1 3.68Å; L199-I204 HydrophobicContact CD1-CD1 3.8Å; L199-I204 HydrophobicContact CD2-CD1 4.15Å; L199-I204 HydrophobicContact CG-CD1 4.05Å; L199-L231 HydrophobicContact CB-CD2 4.13Å; L199-L231 HydrophobicContact CD1-CD2 4.48Å; L199-Q234 PolarHBondContact O-NE2 2.93Å; L199-Q234 VanDerWaalsContact O-NE2 3.15Å; L199-P659 HydrophobicContact CD2-CB 3.89Å; L199-P659 HydrophobicContact CD2-CG 4.44Å; L199-R661 HydrophobicContact CD1-CB 3.78Å; L199-R661 HydrophobicContact CD1-CG 4.47Å; L199-R661 HydrophobicContact CD2-CB 3.98Å; L199-R661 HydrophobicContact CG-CB 3.74Å; L199-R661 HydrophobicContact CG-CG 4.33Å; L199-T664 HydrophobicContact CD1-CG2 3.85Å; L199-S665 WeakPolarHBondContact CD1-OG 3.32Å
200	S	86.2	Confident	88.4	Confident	46 Å²	46	48.5 Å²	48.5	32%	0.322	27%	0.268	S	S	.	.			trans	-83.2	133.1	175.4	172.3	0	0	0	0	110.6	F202 N203	S200-F202 PolarHBondContact O-N 3.26Å; S200-F202 PolarHBondContact OG-N 3.02Å; S200-N203 PolarHBondContact O-N 2.95Å; S200-N203 VanDerWaalsContact O-N 3.08Å
201	S	84.6	Confident	88.3	Confident	46 Å²	46	48.5 Å²	48.5	32%	0.322	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-53.5	-38.7	174.1	49.5	0	0	0	0	112.5	N203 I204 I205	S201-N203 PolarHBondContact O-N 3.12Å; S201-N203 VanDerWaalsContact O-N 3.1Å; S201-I204 PolarHBondContact O-N 3.05Å; S201-I205 WeakPolarHBondContact O-CG1 3.42Å; S201-I205 PolarHBondContact O-N 3.21Å
202	F	85.4	Confident	88.2	Confident	168 Å²	168	46 Å²	46	74%	0.737	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-57	-26.1	177.2	-68.5	-75.3	0	0	0	114.4	S200 P206	S200-F202 PolarHBondContact O-N 3.26Å; S200-F202 PolarHBondContact OG-N 3.02Å; F202-P206 VanDerWaalsContact O-CD 3.22Å; F202-P206 WeakPolarHBondContact O-CD 3.13Å; F202-P206 WeakPolarHBondContact O-CG 3.43Å
203	N	84.3	Confident	88	Confident	60 Å²	60	51.1 Å²	51.1	32%	0.321	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-93	-11.6	179.2	-76.2	-59.8	0	0	0	113.9	S200 S201 P659 R682	S200-N203 PolarHBondContact O-N 2.95Å; S200-N203 VanDerWaalsContact O-N 3.08Å; S201-N203 PolarHBondContact O-N 3.12Å; S201-N203 VanDerWaalsContact O-N 3.1Å; N203-P659 HydrophobicContact CB-CG 3.89Å; N203-R682 PolarHBondContact O-NH2 3.16Å; N203-R682 VanDerWaalsContact O-NH2 3.09Å
204	I	88.1	Confident	87.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-49.2	-170.1	-69.3	-179.1	0	0	0	110.4	L199 S201 A207 I208 I227 L231 I668	L199-I204 HydrophobicContact CB-CD1 3.68Å; L199-I204 HydrophobicContact CD1-CD1 3.8Å; L199-I204 HydrophobicContact CD2-CD1 4.15Å; L199-I204 HydrophobicContact CG-CD1 4.05Å; S201-I204 PolarHBondContact O-N 3.05Å; I204-A207 PolarHBondContact O-N 3.06Å; I204-A207 VanDerWaalsContact O-N 3.09Å; I204-I208 HydrophobicContact CG2-CD1 3.4Å; I204-I208 VanDerWaalsContact CG2-CD1 3.4Å; I204-I208 HydrophobicContact CG2-CG1 4.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.35Å; I204-I208 PolarHBondContact O-N 3.21Å; I204-I227 HydrophobicContact CG2-CG2 4.45Å; I204-L231 HydrophobicContact CD1-CD1 4.47Å; I204-L231 HydrophobicContact CD1-CD2 3.51Å; I204-L231 HydrophobicContact CG2-CD1 4.4Å; I204-I668 HydrophobicContact CD1-CD1 4.26Å
205	I	88.3	Confident	87.7	Confident	79 Å²	79	55.8 Å²	55.8	41%	0.405	31%	0.306	S	S	.	.	H	α-helix	trans	-57.1	-51.8	-177.1	-62.5	170.8	0	0	0	110.6	S201 A207 I208 E209	S201-I205 WeakPolarHBondContact O-CG1 3.42Å; S201-I205 PolarHBondContact O-N 3.21Å; I205-A207 PolarHBondContact O-N 3.12Å; I205-A207 VanDerWaalsContact O-N 3.1Å; I205-I208 PolarHBondContact O-N 3.42Å; I205-I208 VanDerWaalsContact O-N 3.13Å; I205-E209 WeakPolarHBondContact O-CB 3.21Å; I205-E209 PolarHBondContact O-N 3.17Å
206	P	89.2	Confident	87.8	Confident	87 Å²	87	58.5 Å²	58.5	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-22.9	-179.3	-22.1	35.3	0	0	0	114.1	F202 P210	F202-P206 VanDerWaalsContact O-CD 3.22Å; F202-P206 WeakPolarHBondContact O-CD 3.13Å; F202-P206 WeakPolarHBondContact O-CG 3.43Å; P206-P210 VanDerWaalsContact O-CD 3.3Å; P206-P210 WeakPolarHBondContact O-CD 3.38Å
207	A	89.2	Confident	88.1	Confident	31 Å²	31	62.8 Å²	62.8	26%	0.256	35%	0.351	S	S	.	.	H	α-helix	trans	-83.1	-30.5	179.1	0	0	0	0	0	112.5	I204 I205 I658	I204-A207 PolarHBondContact O-N 3.06Å; I204-A207 VanDerWaalsContact O-N 3.09Å; I205-A207 PolarHBondContact O-N 3.12Å; I205-A207 VanDerWaalsContact O-N 3.1Å; A207-I658 HydrophobicContact CB-CG2 4.37Å
208	I	91.7	Very high	88.6	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-91.4	-37.9	-176.3	-70.3	177.4	0	0	0	111.2	I204 I205 A211 L212 I227 V656 I658 I668 L672	I204-I208 HydrophobicContact CG2-CD1 3.4Å; I204-I208 VanDerWaalsContact CG2-CD1 3.4Å; I204-I208 HydrophobicContact CG2-CG1 4.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.35Å; I204-I208 PolarHBondContact O-N 3.21Å; I205-I208 PolarHBondContact O-N 3.42Å; I205-I208 VanDerWaalsContact O-N 3.13Å; I208-A211 WeakPolarHBondContact O-CA 3.21Å; I208-A211 WeakPolarHBondContact O-CB 3.38Å; I208-A211 PolarHBondContact O-N 3.3Å; I208-L212 HydrophobicContact CG2-CD1 3.54Å; I208-L212 HydrophobicContact CG2-CD2 4.09Å; I208-L212 HydrophobicContact CG2-CG 3.55Å; I208-L212 PolarHBondContact O-N 3.27Å; I208-L212 VanDerWaalsContact O-N 3.08Å; I208-I227 HydrophobicContact CD1-CD1 3.94Å; I208-I227 HydrophobicContact CD1-CG2 4.19Å; I208-I227 HydrophobicContact CG2-CD1 3.98Å; I208-V656 HydrophobicContact CG1-CG1 3.85Å; I208-I658 HydrophobicContact CD1-CG2 4.28Å; I208-I658 HydrophobicContact CG1-CG2 4.11Å; I208-I668 HydrophobicContact CD1-CG2 4.04Å; I208-L672 HydrophobicContact CD1-CD1 4.22Å; I208-L672 HydrophobicContact CG1-CD1 4.32Å
209	E	91.6	Very high	88.8	Confident	57 Å²	57	63.5 Å²	63.5	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-54.8	-45	-171.3	-162.8	64.3	-164.7	0	0	114	I205 A211 L212 N213 R224	I205-E209 WeakPolarHBondContact O-CB 3.21Å; I205-E209 PolarHBondContact O-N 3.17Å; E209-A211 PolarHBondContact O-N 2.87Å; E209-L212 PolarHBondContact O-N 3.33Å; E209-L212 VanDerWaalsContact O-N 3.09Å; E209-N213 PolarHBondContact O-N 3.19Å; E209-N213 VanDerWaalsContact O-N 3.11Å; E209-N213 PolarHBondContact O-OD1 3.43Å; E209-R224 IonicContact OE1-CZ 3.97Å; E209-R224 VanDerWaalsContact OE1-CZ 3.28Å; E209-R224 IonicContact OE1-NE 3.7Å; E209-R224 PolarHBondContact OE1-NE 2.8Å; E209-R224 VanDerWaalsContact OE1-NE 3.11Å; E209-R224 IonicContact OE1-NH2 3.32Å; E209-R224 PolarHBondContact OE1-NH2 2.81Å; E209-R224 IonicContact OE2-NE 3.45Å; E209-R224 PolarHBondContact OE2-NE 3.39Å; E209-R224 IonicContact OE2-NH2 2.64Å
210	P	91	Very high	89.1	Confident	85 Å²	85	63.3 Å²	63.3	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-60.8	-29.9	176.7	-23.4	35.3	0	0	0	113.5	P206	P206-P210 VanDerWaalsContact O-CD 3.3Å; P206-P210 WeakPolarHBondContact O-CD 3.38Å
211	A	89.5	Confident	89.3	Confident	4 Å²	4	65 Å²	65	3%	0.033	36%	0.355	C	S	.	.	H	α-helix	trans	-80.4	-28.7	177.9	0	0	0	0	0	112.7	I208 E209 S654 V656 I677	I208-A211 WeakPolarHBondContact O-CA 3.21Å; I208-A211 WeakPolarHBondContact O-CB 3.38Å; I208-A211 PolarHBondContact O-N 3.3Å; E209-A211 PolarHBondContact O-N 2.87Å; A211-S654 WeakPolarHBondContact CB-OG 3.13Å; A211-V656 HydrophobicContact CB-CG2 3.3Å; A211-I677 HydrophobicContact CB-CG2 4.38Å
212	L	89.7	Confident	89.7	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-74.4	-30.2	176	-64.6	-175.5	0	0	0	112.3	I208 E209 I214 L215 A220 L223 R224 L672 I677	I208-L212 HydrophobicContact CG2-CD1 3.54Å; I208-L212 HydrophobicContact CG2-CD2 4.09Å; I208-L212 HydrophobicContact CG2-CG 3.55Å; I208-L212 PolarHBondContact O-N 3.27Å; I208-L212 VanDerWaalsContact O-N 3.08Å; E209-L212 PolarHBondContact O-N 3.33Å; E209-L212 VanDerWaalsContact O-N 3.09Å; L212-I214 PolarHBondContact O-N 2.93Å; L212-I214 VanDerWaalsContact O-N 3.1Å; L212-L215 HydrophobicContact CD2-CD1 4.35Å; L212-L215 WeakPolarHBondContact O-CB 3.45Å; L212-L215 PolarHBondContact O-N 3.34Å; L212-A220 HydrophobicContact CB-CB 4.23Å; L212-L223 HydrophobicContact CD2-CB 3.92Å; L212-L223 HydrophobicContact CD2-CD1 3.61Å; L212-L223 HydrophobicContact CD2-CG 4.42Å; L212-R224 HydrophobicContact CD1-CG 3.65Å; L212-L672 HydrophobicContact CD2-CD2 4.21Å; L212-I677 HydrophobicContact CD2-CD1 4.23Å
213	N	88.6	Confident	90.1	Very high	108 Å²	108	59.1 Å²	59.1	58%	0.578	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	177.9	-69.3	-10.9	0	0	0	114.1	E209 L215	E209-N213 PolarHBondContact O-N 3.19Å; E209-N213 VanDerWaalsContact O-N 3.11Å; E209-N213 PolarHBondContact O-OD1 3.43Å; N213-L215 VanDerWaalsContact C-N 3.34Å
214	I	89	Confident	90.5	Very high	104 Å²	104	59.4 Å²	59.4	53%	0.533	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.7	175.3	-58.7	165.9	0	0	0	110.9	L212	L212-I214 PolarHBondContact O-N 2.93Å; L212-I214 VanDerWaalsContact O-N 3.1Å
215	L	89.8	Confident	90.7	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.079	35%	0.349	C	S	.	.	S	Bend	trans	-94.2	156.8	-177.3	-61.3	178.8	0	0	0	111.3	L212 N213 N217 L223 K653 H675 I677	L212-L215 HydrophobicContact CD2-CD1 4.35Å; L212-L215 WeakPolarHBondContact O-CB 3.45Å; L212-L215 PolarHBondContact O-N 3.34Å; N213-L215 VanDerWaalsContact C-N 3.34Å; L215-N217 PolarHBondContact O-N 3.31Å; L215-L223 HydrophobicContact CD1-CD1 3.45Å; L215-L223 VanDerWaalsContact CD1-CD1 3.45Å; L215-K653 HydrophobicContact CD2-CD 4.12Å; L215-H675 HydrophobicContact CD1-CB 4.33Å; L215-I677 HydrophobicContact CD1-CD1 3.72Å; L215-I677 HydrophobicContact CG-CD1 4.45Å
216	P	91.2	Very high	91	Very high	90 Å²	90	64.4 Å²	64.4	58%	0.584	35%	0.345	S	S	*	.			trans	-53.3	139.7	171.2	-25.3	33.2	0	0	0	112.1	E218 T219 A220	P216-E218 VanDerWaalsContact C-N 3.25Å; P216-E218 PolarHBondContact O-N 3.43Å; P216-E218 VanDerWaalsContact O-N 3.11Å; P216-T219 HydrophobicContact CB-CG2 4.44Å; P216-T219 WeakPolarHBondContact CD-OG1 3.46Å; P216-T219 PolarHBondContact O-N 2.74Å; P216-T219 PolarHBondContact O-OG1 3.45Å; P216-A220 PolarHBondContact O-N 2.91Å
217	N	89.3	Confident	91.1	Very high	128 Å²	128	60.8 Å²	60.8	68%	0.684	32%	0.321	S	S	*	.	H	α-helix	trans	-51.6	-40	-173.3	-76.8	-18.4	0	0	0	113.8	L215 A220 N221	L215-N217 PolarHBondContact O-N 3.31Å; N217-A220 PolarHBondContact O-N 3.06Å; N217-N221 WeakPolarHBondContact O-CB 3.47Å; N217-N221 VanDerWaalsContact O-CG 3.3Å; N217-N221 PolarHBondContact O-N 3.35Å; N217-N221 PolarHBondContact O-ND2 2.85Å
218	E	91.8	Very high	91.2	Very high	169 Å²	169	63.2 Å²	63.2	79%	0.79	33%	0.328	S	S	*	.	H	α-helix	trans	-62.8	-50.7	177.5	-64.5	-177.6	171.9	0	0	112	P216 A220 N221 E222	P216-E218 VanDerWaalsContact C-N 3.25Å; P216-E218 PolarHBondContact O-N 3.43Å; P216-E218 VanDerWaalsContact O-N 3.11Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.11Å; E218-N221 PolarHBondContact O-N 2.96Å; E218-E222 PolarHBondContact O-N 3.29Å
219	T	90.9	Very high	91.3	Very high	44 Å²	44	65.2 Å²	65.2	27%	0.27	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.4	64.9	0	0	0	0	112	P216 E222 L223	P216-T219 HydrophobicContact CB-CG2 4.44Å; P216-T219 WeakPolarHBondContact CD-OG1 3.46Å; P216-T219 PolarHBondContact O-N 2.74Å; P216-T219 PolarHBondContact O-OG1 3.45Å; T219-E222 PolarHBondContact O-N 3.47Å; T219-L223 WeakPolarHBondContact O-CB 3.35Å; T219-L223 VanDerWaalsContact O-CG 3.28Å; T219-L223 WeakPolarHBondContact O-CG 3.34Å; T219-L223 PolarHBondContact O-N 3.12Å
220	A	90.6	Very high	91.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-44.8	175.5	0	0	0	0	0	111.1	L212 P216 N217 E218 L223 R224	L212-A220 HydrophobicContact CB-CB 4.23Å; P216-A220 PolarHBondContact O-N 2.91Å; N217-A220 PolarHBondContact O-N 3.06Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.11Å; A220-L223 WeakPolarHBondContact O-CB 3.42Å; A220-L223 PolarHBondContact O-N 2.9Å; A220-R224 WeakPolarHBondContact O-CG 3.23Å; A220-R224 PolarHBondContact O-N 2.96Å
221	N	92.2	Very high	91.2	Very high	82 Å²	82	59.1 Å²	59.1	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-42	176.1	-76.7	-24.2	0	0	0	112.5	N217 E218 L223 R224 N225	N217-N221 WeakPolarHBondContact O-CB 3.47Å; N217-N221 VanDerWaalsContact O-CG 3.3Å; N217-N221 PolarHBondContact O-N 3.35Å; N217-N221 PolarHBondContact O-ND2 2.85Å; E218-N221 PolarHBondContact O-N 2.96Å; N221-L223 VanDerWaalsContact C-N 3.3Å; N221-L223 PolarHBondContact O-N 3.49Å; N221-R224 PolarHBondContact O-N 3.32Å; N221-R224 PolarHBondContact OD1-NH1 3.35Å; N221-N225 PolarHBondContact O-N 3.23Å
222	E	93.1	Very high	91.3	Very high	90 Å²	90	65.6 Å²	65.6	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-43	174.6	-165.6	-163.9	179.7	0	0	111.2	E218 T219 N225 K226	E218-E222 PolarHBondContact O-N 3.29Å; T219-E222 PolarHBondContact O-N 3.47Å; E222-N225 PolarHBondContact O-N 3.01Å; E222-K226 HydrophobicContact CG-CD 4.45Å; E222-K226 WeakPolarHBondContact O-CG 3.33Å; E222-K226 PolarHBondContact O-N 2.67Å; E222-K226 WeakPolarHBondContact OE1-CE 3.41Å; E222-K226 IonicContact OE1-NZ 3.39Å; E222-K226 PolarHBondContact OE1-NZ 3.32Å; E222-K226 IonicContact OE2-NZ 3.79Å; E222-K226 PolarHBondContact OE2-NZ 3.04Å
223	L	92.7	Very high	91.3	Very high	0 Å²	0	73 Å²	73	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.5	-44	175	-77.6	176	0	0	0	112.5	L212 L215 T219 A220 N221 N225 K226 I227 I671 L672 H675	L212-L223 HydrophobicContact CD2-CB 3.92Å; L212-L223 HydrophobicContact CD2-CD1 3.61Å; L212-L223 HydrophobicContact CD2-CG 4.42Å; L215-L223 HydrophobicContact CD1-CD1 3.45Å; L215-L223 VanDerWaalsContact CD1-CD1 3.45Å; T219-L223 WeakPolarHBondContact O-CB 3.35Å; T219-L223 VanDerWaalsContact O-CG 3.28Å; T219-L223 WeakPolarHBondContact O-CG 3.34Å; T219-L223 PolarHBondContact O-N 3.12Å; A220-L223 WeakPolarHBondContact O-CB 3.42Å; A220-L223 PolarHBondContact O-N 2.9Å; N221-L223 VanDerWaalsContact C-N 3.3Å; N221-L223 PolarHBondContact O-N 3.49Å; L223-N225 VanDerWaalsContact C-N 3.29Å; L223-N225 PolarHBondContact O-N 2.99Å; L223-K226 PolarHBondContact O-N 3.4Å; L223-I227 WeakPolarHBondContact O-CB 3.27Å; L223-I227 WeakPolarHBondContact O-CD1 3.43Å; L223-I227 VanDerWaalsContact O-CG1 3.23Å; L223-I227 WeakPolarHBondContact O-CG1 3.18Å; L223-I227 PolarHBondContact O-N 3.41Å; L223-I671 HydrophobicContact CD2-CG2 3.41Å; L223-I671 VanDerWaalsContact CD2-CG2 3.41Å; L223-L672 HydrophobicContact CD1-CD2 4.5Å; L223-H675 HydrophobicContact CD1-CB 4.24Å
224	R	92.9	Very high	91.4	Very high	66 Å²	66	69.1 Å²	69.1	25%	0.249	35%	0.347	C	S	.	.	H	α-helix	trans	-55.4	-46.4	174.3	-72.1	179.4	-170	106.3	1.9	110.5	E209 L212 A220 N221 I227 M228	E209-R224 IonicContact OE1-CZ 3.97Å; E209-R224 VanDerWaalsContact OE1-CZ 3.28Å; E209-R224 IonicContact OE1-NE 3.7Å; E209-R224 PolarHBondContact OE1-NE 2.8Å; E209-R224 VanDerWaalsContact OE1-NE 3.11Å; E209-R224 IonicContact OE1-NH2 3.32Å; E209-R224 PolarHBondContact OE1-NH2 2.81Å; E209-R224 IonicContact OE2-NE 3.45Å; E209-R224 PolarHBondContact OE2-NE 3.39Å; E209-R224 IonicContact OE2-NH2 2.64Å; L212-R224 HydrophobicContact CD1-CG 3.65Å; A220-R224 WeakPolarHBondContact O-CG 3.23Å; A220-R224 PolarHBondContact O-N 2.96Å; N221-R224 PolarHBondContact O-N 3.32Å; N221-R224 PolarHBondContact OD1-NH1 3.35Å; R224-I227 PolarHBondContact O-N 3.39Å; R224-M228 VanDerWaalsContact O-CB 3.27Å; R224-M228 WeakPolarHBondContact O-CB 3.32Å; R224-M228 PolarHBondContact O-N 3.26Å
225	N	92.5	Very high	91.3	Very high	109 Å²	109	72.4 Å²	72.4	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-65.7	-43.6	178.8	-70.8	-20.2	0	0	0	112.9	N221 E222 L223 M228 S229	N221-N225 PolarHBondContact O-N 3.23Å; E222-N225 PolarHBondContact O-N 3.01Å; L223-N225 VanDerWaalsContact C-N 3.29Å; L223-N225 PolarHBondContact O-N 2.99Å; N225-M228 PolarHBondContact O-N 3.34Å; N225-S229 WeakPolarHBondContact O-CB 3Å; N225-S229 PolarHBondContact O-N 3.46Å; N225-S229 PolarHBondContact O-OG 3.46Å
226	K	93.9	Very high	90.9	Very high	76 Å²	76	76.2 Å²	76.2	33%	0.33	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-43.5	176.1	-74.8	174	-177.5	164.6	0	111.7	E222 L223 S229 A230 I671	E222-K226 HydrophobicContact CG-CD 4.45Å; E222-K226 WeakPolarHBondContact O-CG 3.33Å; E222-K226 PolarHBondContact O-N 2.67Å; E222-K226 WeakPolarHBondContact OE1-CE 3.41Å; E222-K226 IonicContact OE1-NZ 3.39Å; E222-K226 PolarHBondContact OE1-NZ 3.32Å; E222-K226 IonicContact OE2-NZ 3.79Å; E222-K226 PolarHBondContact OE2-NZ 3.04Å; L223-K226 PolarHBondContact O-N 3.4Å; K226-S229 PolarHBondContact O-N 3.3Å; K226-A230 PolarHBondContact O-N 2.92Å; K226-I671 HydrophobicContact CB-CD1 4.25Å; K226-I671 HydrophobicContact CB-CG2 4.15Å; K226-I671 HydrophobicContact CD-CG2 4.34Å
227	I	92.6	Very high	90.5	Very high	11 Å²	11	74.3 Å²	74.3	6%	0.056	37%	0.369	C	S	.	.	H	α-helix	trans	-67.3	-45.7	178.1	-68.8	161.8	0	0	0	110.3	I204 I208 L223 R224 S229 A230 L231 I668 I671 L672	I204-I227 HydrophobicContact CG2-CG2 4.45Å; I208-I227 HydrophobicContact CD1-CD1 3.94Å; I208-I227 HydrophobicContact CD1-CG2 4.19Å; I208-I227 HydrophobicContact CG2-CD1 3.98Å; L223-I227 WeakPolarHBondContact O-CB 3.27Å; L223-I227 WeakPolarHBondContact O-CD1 3.43Å; L223-I227 VanDerWaalsContact O-CG1 3.23Å; L223-I227 WeakPolarHBondContact O-CG1 3.18Å; L223-I227 PolarHBondContact O-N 3.41Å; R224-I227 PolarHBondContact O-N 3.39Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 2.83Å; I227-A230 WeakPolarHBondContact O-CB 3.3Å; I227-A230 PolarHBondContact O-N 3.08Å; I227-A230 VanDerWaalsContact O-N 3.13Å; I227-L231 HydrophobicContact CG2-CD1 4.25Å; I227-L231 HydrophobicContact CG2-CG 4.46Å; I227-L231 WeakPolarHBondContact O-CG 3.42Å; I227-L231 PolarHBondContact O-N 2.74Å; I227-I668 HydrophobicContact CG1-CG2 4.49Å; I227-I668 HydrophobicContact CG2-CD1 4.41Å; I227-I668 HydrophobicContact CG2-CG1 4.42Å; I227-I671 HydrophobicContact CG1-CG2 4.49Å; I227-L672 HydrophobicContact CD1-CD2 4.04Å; I227-L672 HydrophobicContact CD1-CG 4.44Å
228	M	91.3	Very high	90.2	Very high	82 Å²	82	77.3 Å²	77.3	40%	0.404	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-44.1	176.2	-172.8	60.2	73.7	0	0	111	R224 N225 A230 L231 L232	R224-M228 VanDerWaalsContact O-CB 3.27Å; R224-M228 WeakPolarHBondContact O-CB 3.32Å; R224-M228 PolarHBondContact O-N 3.26Å; N225-M228 PolarHBondContact O-N 3.34Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A230 PolarHBondContact O-N 2.87Å; M228-L231 WeakPolarHBondContact O-CB 3.45Å; M228-L231 PolarHBondContact O-N 3.13Å; M228-L231 VanDerWaalsContact O-N 3.13Å; M228-L232 HydrophobicContact CG-CD1 4.07Å; M228-L232 HydrophobicContact CG-CG 4.41Å; M228-L232 WeakPolarHBondContact O-CG 3.5Å; M228-L232 PolarHBondContact O-N 3.43Å; M228-L232 HydrophobicContact SD-CG 4.46Å
229	S	92.6	Very high	89.8	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-43.6	174.8	-60.9	0	0	0	0	112.2	N225 K226 I227 L231 L232 R233	N225-S229 WeakPolarHBondContact O-CB 3Å; N225-S229 PolarHBondContact O-N 3.46Å; N225-S229 PolarHBondContact O-OG 3.46Å; K226-S229 PolarHBondContact O-N 3.3Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 2.83Å; S229-L231 VanDerWaalsContact C-N 3.32Å; S229-L231 PolarHBondContact O-N 2.85Å; S229-L232 PolarHBondContact O-N 3Å; S229-R233 WeakPolarHBondContact O-CB 3.4Å; S229-R233 VanDerWaalsContact O-CG 3.3Å; S229-R233 WeakPolarHBondContact O-CG 3.36Å; S229-R233 PolarHBondContact O-N 3.13Å
230	A	91	Very high	89.8	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-37.2	175.8	0	0	0	0	0	112.3	K226 I227 M228 E667 I668 I671	K226-A230 PolarHBondContact O-N 2.92Å; I227-A230 WeakPolarHBondContact O-CB 3.3Å; I227-A230 PolarHBondContact O-N 3.08Å; I227-A230 VanDerWaalsContact O-N 3.13Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A230 PolarHBondContact O-N 2.87Å; A230-E667 HydrophobicContact CB-CG 4.25Å; A230-I668 HydrophobicContact CB-CG1 4.48Å; A230-I671 HydrophobicContact CB-CD1 4.49Å
231	L	90.7	Very high	89.7	Confident	13 Å²	13	71.8 Å²	71.8	7%	0.068	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-37.9	175.5	-66.4	177.2	0	0	0	112.7	L199 I204 I227 M228 S229 Q234 T664 I668	L199-L231 HydrophobicContact CB-CD2 4.13Å; L199-L231 HydrophobicContact CD1-CD2 4.48Å; I204-L231 HydrophobicContact CD1-CD1 4.47Å; I204-L231 HydrophobicContact CD1-CD2 3.51Å; I204-L231 HydrophobicContact CG2-CD1 4.4Å; I227-L231 HydrophobicContact CG2-CD1 4.25Å; I227-L231 HydrophobicContact CG2-CG 4.46Å; I227-L231 WeakPolarHBondContact O-CG 3.42Å; I227-L231 PolarHBondContact O-N 2.74Å; M228-L231 WeakPolarHBondContact O-CB 3.45Å; M228-L231 PolarHBondContact O-N 3.13Å; M228-L231 VanDerWaalsContact O-N 3.13Å; S229-L231 VanDerWaalsContact C-N 3.32Å; S229-L231 PolarHBondContact O-N 2.85Å; L231-Q234 VanDerWaalsContact O-CD 3.28Å; L231-Q234 WeakPolarHBondContact O-CG 3.46Å; L231-Q234 PolarHBondContact O-NE2 3.34Å; L231-T664 HydrophobicContact CD2-CG2 4.29Å; L231-I668 HydrophobicContact CD2-CD1 4.08Å
232	L	90.5	Very high	89.6	Confident	139 Å²	139	71.5 Å²	71.5	73%	0.728	36%	0.355	S	S	*	.	H	α-helix	trans	-72.8	-35	178.6	-69.1	173.2	0	0	0	112.1	M228 S229 Q234	M228-L232 HydrophobicContact CG-CD1 4.07Å; M228-L232 HydrophobicContact CG-CG 4.41Å; M228-L232 WeakPolarHBondContact O-CG 3.5Å; M228-L232 PolarHBondContact O-N 3.43Å; M228-L232 HydrophobicContact SD-CG 4.46Å; S229-L232 PolarHBondContact O-N 3Å; L232-Q234 PolarHBondContact O-N 3.25Å
233	R	90.8	Very high	89.4	Confident	156 Å²	156	76.1 Å²	76.1	59%	0.589	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-4	179	-71.3	-170.8	-59.3	-118.7	3.4	114.8	S229 K235 E667	S229-R233 WeakPolarHBondContact O-CB 3.4Å; S229-R233 VanDerWaalsContact O-CG 3.3Å; S229-R233 WeakPolarHBondContact O-CG 3.36Å; S229-R233 PolarHBondContact O-N 3.13Å; R233-K235 PolarHBondContact O-N 3.12Å; R233-E667 IonicContact CZ-OE1 2.68Å; R233-E667 IonicContact NH2-OE1 2.6Å; R233-E667 PolarHBondContact NH2-OE1 3.02Å
234	Q	89.6	Confident	89.4	Confident	27 Å²	27	80 Å²	80	13%	0.126	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-66.1	122.8	-173.1	74.6	-174.1	-57.3	0	0	112.2	Q198 L199 L231 L232 T664	Q198-Q234 VanDerWaalsContact CA-OE1 3.29Å; Q198-Q234 HydrophobicContact CG-CG 4.16Å; L199-Q234 PolarHBondContact O-NE2 2.93Å; L199-Q234 VanDerWaalsContact O-NE2 3.15Å; L231-Q234 VanDerWaalsContact O-CD 3.28Å; L231-Q234 WeakPolarHBondContact O-CG 3.46Å; L231-Q234 PolarHBondContact O-NE2 3.34Å; L232-Q234 PolarHBondContact O-N 3.25Å; Q234-T664 HydrophobicContact CB-CG2 4.39Å
235	K	86.6	Confident	89.3	Confident	174 Å²	174	77.2 Å²	77.2	76%	0.757	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-84.8	145.4	174.2	-65.5	-179	-179.6	178.4	0	110.9	R233 Q237 R661	R233-K235 PolarHBondContact O-N 3.12Å; K235-Q237 PolarHBondContact O-N 2.95Å; K235-R661 PolarHBondContact O-NH2 2.76Å
236	S	83.1	Confident	89.2	Confident	95 Å²	95	74.8 Å²	74.8	66%	0.664	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-59.7	126.4	176.7	-174.3	0	0	0	0	111.5
237	Q	81.4	Confident	89.1	Confident	50 Å²	50	76.3 Å²	76.3	23%	0.234	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-89.4	138.2	-178.2	-166	179.4	-13.4	0	0	110.7	N195 K235	N195-Q237 PolarHBondContact ND2-NE2 2.88Å; N195-Q237 PolarHBondContact OD1-NE2 2.82Å; K235-Q237 PolarHBondContact O-N 2.95Å
238	K	83.4	Confident	89	Confident	191 Å²	191	75.9 Å²	75.9	83%	0.83	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-64.4	140.6	172.8	-67.7	-176.1	-178.7	177.7	0	110.7	N195	N195-K238 PolarHBondContact ND2-O 2.98Å
239	S	83.9	Confident	89.1	Confident	54 Å²	54	72.7 Å²	72.7	38%	0.378	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-62.1	137	173.8	179.3	0	0	0	0	111.1	M241	S239-M241 PolarHBondContact O-N 3.49Å; S239-M241 PolarHBondContact OG-N 2.93Å; S239-M241 PolarHBondContact OG-O 2.89Å
240	N	90.2	Very high	89.1	Confident	33 Å²	33	77.2 Å²	77.2	18%	0.176	38%	0.375	C	S	.	.	S	Bend	trans	-80.7	7.6	168.2	60.1	-24.2	0	0	0	112.8	F192 N193 I194 N195 D583	F192-N240 VanDerWaalsContact CE1-ND2 3.28Å; F192-N240 WeakPolarHBondContact CE1-ND2 3.37Å; F192-N240 VanDerWaalsContact CZ-ND2 3.26Å; F192-N240 WeakPolarHBondContact CZ-ND2 3.46Å; N193-N240 PolarHBondContact O-ND2 2.92Å; I194-N240 WeakPolarHBondContact CA-OD1 3.37Å; N195-N240 PolarHBondContact N-OD1 2.96Å; N195-N240 PolarHBondContact ND2-N 2.95Å; N240-D583 PolarHBondContact ND2-O 3.41Å
241	M	87.8	Confident	89.1	Confident	10 Å²	10	80.7 Å²	80.7	5%	0.049	39%	0.392	C	S	.	.	S	Bend	trans	-122.2	148	174.3	-66.7	177.2	55.9	0	0	111.3	L185 F192 I194 S239 E245 L246	L185-M241 HydrophobicContact CD1-CE 3.19Å; L185-M241 HydrophobicContact CD1-SD 4.37Å; F192-M241 HydrophobicContact CE1-CG 3.97Å; F192-M241 HydrophobicContact CE1-SD 4.41Å; I194-M241 HydrophobicContact CB-SD 4.36Å; I194-M241 HydrophobicContact CD1-CE 4.49Å; I194-M241 HydrophobicContact CD1-SD 3.5Å; I194-M241 WeakPolarHBondContact CD1-SD 3.36Å; I194-M241 HydrophobicContact CG1-SD 3.48Å; I194-M241 WeakPolarHBondContact CG1-SD 3.46Å; I194-M241 HydrophobicContact CG2-SD 4.09Å; S239-M241 PolarHBondContact O-N 3.49Å; S239-M241 PolarHBondContact OG-N 2.93Å; S239-M241 PolarHBondContact OG-O 2.89Å; M241-E245 HydrophobicContact CB-CB 4.46Å; M241-E245 HydrophobicContact CE-CB 3.71Å; M241-L246 HydrophobicContact CB-CD2 4.21Å; M241-L246 HydrophobicContact CB-CG 4.15Å; M241-L246 HydrophobicContact CE-CD2 3.93Å; M241-L246 HydrophobicContact CE-CG 4.38Å; M241-L246 HydrophobicContact SD-CD2 4.09Å
242	T	90.2	Very high	89.2	Confident	77 Å²	77	80.4 Å²	80.4	47%	0.472	39%	0.39	S	S	.	.			trans	-70.2	158.6	175	64.7	0	0	0	0	111.6	N244 E245 L246	T242-N244 VanDerWaalsContact C-N 3.25Å; T242-N244 PolarHBondContact O-N 3.01Å; T242-E245 PolarHBondContact N-OE2 2.89Å; T242-E245 PolarHBondContact O-N 3.34Å; T242-E245 WeakPolarHBondContact OG1-CB 3.27Å; T242-E245 VanDerWaalsContact OG1-CD 3.31Å; T242-E245 WeakPolarHBondContact OG1-CG 3.47Å; T242-E245 PolarHBondContact OG1-N 2.87Å; T242-E245 PolarHBondContact OG1-OE2 2.89Å; T242-L246 PolarHBondContact O-N 2.86Å
243	K	89.2	Confident	89.2	Confident	186 Å²	186	80.4 Å²	80.4	81%	0.809	38%	0.38	S	S	*	.	H	α-helix	trans	-58.5	-38.6	175.9	-68.5	-175.1	178.5	-177.6	0	111.9	L246 H247	K243-L246 PolarHBondContact O-N 2.53Å; K243-H247 PolarHBondContact O-N 3.29Å
244	N	92.3	Very high	89.2	Confident	83 Å²	83	78.7 Å²	78.7	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-42.3	178.5	-65.4	3.8	0	0	0	111.4	H181 T242 L246 H247 S248	H181-N244 HydrophobicContact CB-CB 4.29Å; H181-N244 PolarHBondContact CE1-ND2 3.28Å; H181-N244 VanDerWaalsContact CE1-ND2 3.34Å; H181-N244 PolarHBondContact NE2-ND2 3.44Å; T242-N244 VanDerWaalsContact C-N 3.25Å; T242-N244 PolarHBondContact O-N 3.01Å; N244-L246 VanDerWaalsContact C-N 3.33Å; N244-L246 PolarHBondContact O-N 3.07Å; N244-H247 WeakPolarHBondContact O-CB 3.38Å; N244-H247 PolarHBondContact O-N 2.79Å; N244-S248 WeakPolarHBondContact O-CB 3.43Å; N244-S248 PolarHBondContact O-N 2.79Å; N244-S248 PolarHBondContact O-OG 3.05Å; N244-S248 VanDerWaalsContact O-OG 3.08Å
245	E	91.6	Very high	89.2	Confident	7 Å²	7	79.3 Å²	79.3	3%	0.033	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-37.1	175.4	-72.4	167.6	143.4	0	0	112.3	S184 L185 K188 M241 T242 H247 S248 L249	S184-E245 PolarHBondContact OG-OE1 3.41Å; L185-E245 HydrophobicContact CB-CB 4.49Å; L185-E245 HydrophobicContact CB-CG 4.4Å; L185-E245 HydrophobicContact CD1-CB 4.44Å; K188-E245 WeakPolarHBondContact CE-OE1 3.41Å; K188-E245 IonicContact NZ-OE1 2.88Å; M241-E245 HydrophobicContact CB-CB 4.46Å; M241-E245 HydrophobicContact CE-CB 3.71Å; T242-E245 PolarHBondContact N-OE2 2.89Å; T242-E245 PolarHBondContact O-N 3.34Å; T242-E245 WeakPolarHBondContact OG1-CB 3.27Å; T242-E245 VanDerWaalsContact OG1-CD 3.31Å; T242-E245 WeakPolarHBondContact OG1-CG 3.47Å; T242-E245 PolarHBondContact OG1-N 2.87Å; T242-E245 PolarHBondContact OG1-OE2 2.89Å; E245-H247 VanDerWaalsContact C-N 3.34Å; E245-S248 PolarHBondContact O-N 3.13Å; E245-L249 WeakPolarHBondContact O-CB 3.46Å; E245-L249 PolarHBondContact O-N 2.62Å
246	L	89.8	Confident	89.3	Confident	58 Å²	58	79.4 Å²	79.4	30%	0.304	39%	0.387	S	S	.	.	H	α-helix	trans	-67	-36	174	-70.6	173.7	0	0	0	112.1	M241 T242 K243 N244 L249 K250	M241-L246 HydrophobicContact CB-CD2 4.21Å; M241-L246 HydrophobicContact CB-CG 4.15Å; M241-L246 HydrophobicContact CE-CD2 3.93Å; M241-L246 HydrophobicContact CE-CG 4.38Å; M241-L246 HydrophobicContact SD-CD2 4.09Å; T242-L246 PolarHBondContact O-N 2.86Å; K243-L246 PolarHBondContact O-N 2.53Å; N244-L246 VanDerWaalsContact C-N 3.33Å; N244-L246 PolarHBondContact O-N 3.07Å; L246-L249 PolarHBondContact O-N 3.4Å; L246-K250 PolarHBondContact O-N 3.21Å
247	H	91.6	Very high	89.6	Confident	107 Å²	107	79.1 Å²	79.1	50%	0.495	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-47.9	173.1	-175.4	79.4	0	0	0	111.1	K243 N244 E245 L249 K250 Q251	K243-H247 PolarHBondContact O-N 3.29Å; N244-H247 WeakPolarHBondContact O-CB 3.38Å; N244-H247 PolarHBondContact O-N 2.79Å; E245-H247 VanDerWaalsContact C-N 3.34Å; H247-L249 VanDerWaalsContact C-N 3.29Å; H247-L249 PolarHBondContact O-N 2.94Å; H247-K250 WeakPolarHBondContact O-CB 3.49Å; H247-K250 PolarHBondContact O-N 2.84Å; H247-Q251 PolarHBondContact CD2-NE2 2.85Å; H247-Q251 PolarHBondContact NE2-NE2 2.86Å; H247-Q251 PolarHBondContact O-N 3.39Å
248	S	92.5	Very high	90.1	Very high	3 Å²	3	77.3 Å²	77.3	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-40.3	173.3	-63.5	0	0	0	0	112.4	H181 N244 E245 K250 Q251 L252	H181-S248 WeakPolarHBondContact CB-OG 3.38Å; N244-S248 WeakPolarHBondContact O-CB 3.43Å; N244-S248 PolarHBondContact O-N 2.79Å; N244-S248 PolarHBondContact O-OG 3.05Å; N244-S248 VanDerWaalsContact O-OG 3.08Å; E245-S248 PolarHBondContact O-N 3.13Å; S248-K250 VanDerWaalsContact C-N 3.31Å; S248-K250 PolarHBondContact O-N 2.9Å; S248-Q251 PolarHBondContact O-N 3.19Å; S248-L252 WeakPolarHBondContact O-CB 3.32Å; S248-L252 WeakPolarHBondContact O-CG 3.41Å; S248-L252 PolarHBondContact O-N 3.39Å
249	L	92.8	Very high	90.4	Very high	15 Å²	15	69.2 Å²	69.2	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-41.6	175.6	-176.1	72.5	0	0	0	111.5	L185 I194 E245 L246 H247 R253 I687 L691	L185-L249 HydrophobicContact CD1-CD1 4.42Å; L185-L249 HydrophobicContact CD2-CB 3.83Å; L185-L249 HydrophobicContact CD2-CD1 4Å; I194-L249 HydrophobicContact CD1-CD2 3.71Å; E245-L249 WeakPolarHBondContact O-CB 3.46Å; E245-L249 PolarHBondContact O-N 2.62Å; L246-L249 PolarHBondContact O-N 3.4Å; H247-L249 VanDerWaalsContact C-N 3.29Å; H247-L249 PolarHBondContact O-N 2.94Å; L249-R253 WeakPolarHBondContact O-CB 3.49Å; L249-R253 PolarHBondContact O-N 2.99Å; L249-I687 HydrophobicContact CD1-CG2 4.24Å; L249-L691 HydrophobicContact CD1-CD1 3.9Å; L249-L691 HydrophobicContact CD1-CD2 3.75Å; L249-L691 HydrophobicContact CD1-CG 3.66Å
250	K	91.4	Very high	90.9	Very high	142 Å²	142	67.1 Å²	67.1	62%	0.617	32%	0.324	S	S	*	.	H	α-helix	trans	-67.5	-42.5	175.6	-69.9	179.3	179.4	-175.9	0	111.7	L246 H247 S248 R253 N254	L246-K250 PolarHBondContact O-N 3.21Å; H247-K250 WeakPolarHBondContact O-CB 3.49Å; H247-K250 PolarHBondContact O-N 2.84Å; S248-K250 VanDerWaalsContact C-N 3.31Å; S248-K250 PolarHBondContact O-N 2.9Å; K250-R253 PolarHBondContact O-N 3.37Å; K250-N254 WeakPolarHBondContact O-CB 3.48Å; K250-N254 VanDerWaalsContact O-CG 3.28Å; K250-N254 PolarHBondContact O-N 3.25Å; K250-N254 VanDerWaalsContact O-N 3.07Å; K250-N254 PolarHBondContact O-ND2 2.9Å
251	Q	92.1	Very high	90.9	Very high	75 Å²	75	65.9 Å²	65.9	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-54.1	176.5	-72.1	-177.5	-22.5	0	0	111	H247 S248 R253 N254 D255	H247-Q251 PolarHBondContact CD2-NE2 2.85Å; H247-Q251 PolarHBondContact NE2-NE2 2.86Å; H247-Q251 PolarHBondContact O-N 3.39Å; S248-Q251 PolarHBondContact O-N 3.19Å; Q251-R253 VanDerWaalsContact C-N 3.29Å; Q251-R253 PolarHBondContact O-N 2.86Å; Q251-N254 PolarHBondContact O-N 3.15Å; Q251-N254 VanDerWaalsContact O-N 3.16Å; Q251-D255 PolarHBondContact O-N 3.22Å
252	L	92.5	Very high	91.1	Very high	7 Å²	7	68.6 Å²	68.6	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-34.8	178.4	-69.8	174.2	0	0	0	113	R176 E182 L185 L186 S248 N254 I258 I260 L691	R176-L252 VanDerWaalsContact NH1-CD2 3.31Å; E182-L252 HydrophobicContact CB-CD1 4.38Å; E182-L252 HydrophobicContact CG-CD1 4.15Å; E182-L252 HydrophobicContact CG-CD2 4.41Å; E182-L252 HydrophobicContact CG-CG 4.19Å; L185-L252 HydrophobicContact CD2-CD1 3.98Å; L186-L252 HydrophobicContact CD1-CD1 4.19Å; L186-L252 HydrophobicContact CD2-CD1 4.19Å; L186-L252 HydrophobicContact CG-CD1 4.23Å; S248-L252 WeakPolarHBondContact O-CB 3.32Å; S248-L252 WeakPolarHBondContact O-CG 3.41Å; S248-L252 PolarHBondContact O-N 3.39Å; L252-N254 VanDerWaalsContact C-N 3.34Å; L252-I258 HydrophobicContact CD2-CD1 3.89Å; L252-I260 HydrophobicContact CB-CD1 4.2Å; L252-I260 HydrophobicContact CD1-CD1 4.36Å; L252-I260 HydrophobicContact CD2-CD1 4.33Å; L252-L691 HydrophobicContact CB-CD2 3.73Å; L252-L691 HydrophobicContact CD1-CD1 4.28Å
253	R	90.5	Very high	91.2	Very high	138 Å²	138	65 Å²	65	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-68.5	-34.2	177.8	176.7	176.5	171.6	176.6	0.3	112.8	L249 K250 Q251 L691	L249-R253 WeakPolarHBondContact O-CB 3.49Å; L249-R253 PolarHBondContact O-N 2.99Å; K250-R253 PolarHBondContact O-N 3.37Å; Q251-R253 VanDerWaalsContact C-N 3.29Å; Q251-R253 PolarHBondContact O-N 2.86Å; R253-L691 HydrophobicContact CB-CD2 4.09Å
254	N	90.4	Very high	91.2	Very high	121 Å²	121	57.3 Å²	57.3	65%	0.647	27%	0.274	S	S	*	.	H	α-helix	trans	-86.1	-21.1	-177.6	-70.9	-12.2	0	0	0	112.3	K250 Q251 L252 K256	K250-N254 WeakPolarHBondContact O-CB 3.48Å; K250-N254 VanDerWaalsContact O-CG 3.28Å; K250-N254 PolarHBondContact O-N 3.25Å; K250-N254 VanDerWaalsContact O-N 3.07Å; K250-N254 PolarHBondContact O-ND2 2.9Å; Q251-N254 PolarHBondContact O-N 3.15Å; Q251-N254 VanDerWaalsContact O-N 3.16Å; L252-N254 VanDerWaalsContact C-N 3.34Å; N254-K256 PolarHBondContact O-N 3.18Å
255	D	89.9	Confident	91	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.214	27%	0.266	C	S	.	.			trans	-65.7	117	174.6	-162	-24.4	0	0	0	111	R176 Q251 T257 I258	R176-D255 VanDerWaalsContact CD-OD2 3.26Å; R176-D255 WeakPolarHBondContact CD-OD2 3.4Å; R176-D255 IonicContact CZ-OD2 3.35Å; R176-D255 IonicContact NE-OD2 3.73Å; R176-D255 PolarHBondContact NE-OD2 3.37Å; R176-D255 IonicContact NH2-OD2 2.81Å; Q251-D255 PolarHBondContact O-N 3.22Å; D255-T257 WeakPolarHBondContact OD1-CB 3.31Å; D255-T257 PolarHBondContact OD1-N 3.43Å; D255-T257 PolarHBondContact OD1-OG1 2.94Å; D255-I258 HydrophobicContact CB-CD1 4.48Å; D255-I258 HydrophobicContact CB-CG1 4.13Å
256	K	88	Confident	90.6	Very high	175 Å²	175	56.9 Å²	56.9	76%	0.761	27%	0.274	S	S	*	.	S	Bend	trans	-97.2	-5.4	178.4	-63.2	-179.5	-175.6	173.2	0	112.6	N254 K274	N254-K256 PolarHBondContact O-N 3.18Å; K256-K274 WeakPolarHBondContact O-CD 3.43Å
257	T	90.5	Very high	90.4	Very high	90 Å²	90	55.8 Å²	55.8	55%	0.552	27%	0.268	S	S	*	.	S	Bend	trans	-80.7	-26.2	-177.9	69.3	0	0	0	0	112	D255 K274	D255-T257 WeakPolarHBondContact OD1-CB 3.31Å; D255-T257 PolarHBondContact OD1-N 3.43Å; D255-T257 PolarHBondContact OD1-OG1 2.94Å; T257-K274 WeakPolarHBondContact O-CB 3.32Å; T257-K274 PolarHBondContact O-N 2.79Å
258	I	91.7	Very high	90.4	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.062	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157.9	-178.9	61.4	165.8	0	0	0	112.8	R176 L252 D255 I260 I271 M272	R176-I258 HydrophobicContact CB-CG2 3.97Å; L252-I258 HydrophobicContact CD2-CD1 3.89Å; D255-I258 HydrophobicContact CB-CD1 4.48Å; D255-I258 HydrophobicContact CB-CG1 4.13Å; I258-I260 HydrophobicContact CD1-CD1 4.18Å; I258-I260 HydrophobicContact CD1-CG1 4.16Å; I258-I271 HydrophobicContact CB-CG2 3.98Å; I258-I271 HydrophobicContact CD1-CG2 3.91Å; I258-I271 HydrophobicContact CG2-CG2 4.22Å; I258-M272 CarbonylContact C-O 3.59Å; I258-M272 WeakPolarHBondContact CA-O 3.25Å
259	I	90.5	Very high	90.4	Very high	20 Å²	20	50.7 Å²	50.7	10%	0.103	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.1	168.7	-72.7	179.5	0	0	0	108.3	R261 I271 M272 K274 F277	I259-R261 HydrophobicContact CG2-CG 3.73Å; I259-I271 WeakPolarHBondContact O-CA 3.26Å; I259-M272 PolarHBondContact N-O 2.59Å; I259-M272 PolarHBondContact O-N 3.18Å; I259-K274 HydrophobicContact CD1-CB 4.19Å; I259-K274 HydrophobicContact CD1-CG 3.91Å; I259-K274 HydrophobicContact CG1-CB 4.04Å; I259-K274 HydrophobicContact CG1-CG 4.15Å; I259-F277 HydrophobicContact CD1-CB 4.01Å; I259-F277 HydrophobicContact CD1-CD1 3.47Å; I259-F277 VanDerWaalsContact CD1-CD1 3.47Å; I259-F277 HydrophobicContact CD1-CE1 4.26Å; I259-F277 HydrophobicContact CD1-CG 3.83Å
260	I	92.7	Very high	90.4	Very high	10 Å²	10	50 Å²	50	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	173.4	-56	176.1	0	0	0	108.2	L190 L252 I258 T269 V270 I271 L691 V692	L190-I260 HydrophobicContact CD2-CG2 4.15Å; L252-I260 HydrophobicContact CB-CD1 4.2Å; L252-I260 HydrophobicContact CD1-CD1 4.36Å; L252-I260 HydrophobicContact CD2-CD1 4.33Å; I258-I260 HydrophobicContact CD1-CD1 4.18Å; I258-I260 HydrophobicContact CD1-CG1 4.16Å; I260-T269 HydrophobicContact CG2-CG2 3.72Å; I260-V270 WeakPolarHBondContact CA-O 3.44Å; I260-I271 HydrophobicContact CG1-CG1 4.31Å; I260-I271 HydrophobicContact CG1-CG2 4.33Å; I260-L691 HydrophobicContact CD1-CB 4.26Å; I260-L691 HydrophobicContact CD1-CD1 3.96Å; I260-L691 HydrophobicContact CD1-CD2 4.47Å; I260-L691 HydrophobicContact CD1-CG 4.47Å; I260-V692 HydrophobicContact CG2-CG2 4.43Å; I260-V692 WeakPolarHBondContact O-CG1 3.13Å
261	R	91.6	Very high	90.5	Very high	8 Å²	8	43.2 Å²	43.2	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.5	177.5	-73.2	-174.3	-175.8	-145.5	-3.7	111.6	I259 V270 R340 P342 V694	I259-R261 HydrophobicContact CG2-CG 3.73Å; R261-V270 PolarHBondContact N-O 3.3Å; R261-V270 PolarHBondContact O-N 2.65Å; R261-R340 WeakPolarHBondContact CD-O 3.35Å; R261-R340 PolarHBondContact NH1-O 2.92Å; R261-P342 HydrophobicContact CB-CG 4.49Å; R261-V694 PolarHBondContact NH2-O 3.1Å
262	K	92.2	Very high	90.5	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.287	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.7	165	-167.4	-171	175.4	-175.3	0	108	L190 N267	L190-K262 HydrophobicContact CD1-CB 4.03Å; K262-N267 VanDerWaalsContact CE-OD1 3.31Å; K262-N267 WeakPolarHBondContact CE-OD1 3.3Å
263	A	91.2	Very high	90.6	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	20%	0.2	C	C	.	.			trans	-58.4	151.9	167.4	0	0	0	0	0	111.2	K265 T268 V270 I344	A263-K265 VanDerWaalsContact C-N 3.27Å; A263-K265 VanDerWaalsContact CB-O 3.31Å; A263-K265 WeakPolarHBondContact CB-O 3.25Å; A263-K265 PolarHBondContact O-N 2.85Å; A263-T268 WeakPolarHBondContact CB-O 3.09Å; A263-T268 PolarHBondContact N-O 2.8Å; A263-V270 HydrophobicContact CB-CG2 3.73Å; A263-I344 HydrophobicContact CB-CD1 3.75Å; A263-I344 HydrophobicContact CB-CG1 4.02Å; A263-I344 HydrophobicContact CB-CG2 4.48Å
264	D	89.8	Confident	90.6	Very high	25 Å²	25	37.8 Å²	37.8	13%	0.134	19%	0.191	C	C	.	.	S	Bend	trans	-56.7	-41.1	174.7	-174.9	60.2	0	0	0	112.5	L341 P342 K343 H345 R352	D264-L341 HydrophobicContact CB-CB 4.17Å; D264-P342 WeakPolarHBondContact CB-O 3.34Å; D264-P342 PolarHBondContact N-O 2.67Å; D264-K343 HydrophobicContact CB-CG 4.06Å; D264-H345 IonicContact OD2-CE1 2.75Å; D264-R352 VanDerWaalsContact OD1-CD 3.23Å; D264-R352 WeakPolarHBondContact OD1-CD 3.4Å; D264-R352 IonicContact OD1-CZ 2.62Å; D264-R352 IonicContact OD1-NE 3.85Å; D264-R352 PolarHBondContact OD1-NE 3.47Å; D264-R352 IonicContact OD1-NH1 2.79Å; D264-R352 PolarHBondContact OD1-NH1 3.25Å; D264-R352 IonicContact OD2-CZ 2.82Å; D264-R352 VanDerWaalsContact OD2-CZ 3.31Å; D264-R352 IonicContact OD2-NE 3.04Å; D264-R352 IonicContact OD2-NH1 3.75Å; D264-R352 PolarHBondContact OD2-NH1 2.86Å; D264-R352 IonicContact OD2-NH2 2.62Å
265	K	87.2	Confident	90.7	Very high	62 Å²	62	38.3 Å²	38.3	27%	0.27	19%	0.193	S	C	.	.	S	Bend	trans	-129.7	159	179	-59.9	-177.7	-173.6	167.3	0	110.4	A263 N267 H345 K572	A263-K265 VanDerWaalsContact C-N 3.27Å; A263-K265 VanDerWaalsContact CB-O 3.31Å; A263-K265 WeakPolarHBondContact CB-O 3.25Å; A263-K265 PolarHBondContact O-N 2.85Å; K265-N267 PolarHBondContact O-N 3.24Å; K265-H345 PolarHBondContact NZ-NE2 3.4Å; K265-K572 HydrophobicContact CD-CD 4.27Å
266	G	83.4	Confident	90.8	Very high	19 Å²	19	39.6 Å²	39.6	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-1.6	168.8	0	0	0	0	0	117.7	T268 S576	G266-T268 PolarHBondContact O-N 3.35Å; G266-S576 VanDerWaalsContact O-CB 3.29Å; G266-S576 WeakPolarHBondContact O-CB 3.48Å; G266-S576 PolarHBondContact O-N 3.12Å; G266-S576 PolarHBondContact O-OG 3.07Å
267	N	87.2	Confident	91	Very high	34 Å²	34	31.3 Å²	31.3	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	25.1	-176.7	-164.2	41.5	0	0	0	114.6	N191 K262 K265 R578	N191-N267 PolarHBondContact ND2-OD1 2.82Å; K262-N267 VanDerWaalsContact CE-OD1 3.31Å; K262-N267 WeakPolarHBondContact CE-OD1 3.3Å; K265-N267 PolarHBondContact O-N 3.24Å; N267-R578 PolarHBondContact ND2-O 2.78Å
268	T	90.8	Very high	91	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.145	C	C	.	.			trans	-81.3	144.6	180	-54.9	0	0	0	0	111.4	K168 V169 V171 A263 G266 V270 I344	K168-T268 WeakPolarHBondContact O-CB 3.02Å; K168-T268 WeakPolarHBondContact O-CG2 3.32Å; K168-T268 PolarHBondContact O-OG1 3.23Å; V169-T268 WeakPolarHBondContact O-CG2 3.38Å; V171-T268 HydrophobicContact CB-CG2 4.25Å; V171-T268 HydrophobicContact CG2-CG2 3.64Å; A263-T268 WeakPolarHBondContact CB-O 3.09Å; A263-T268 PolarHBondContact N-O 2.8Å; G266-T268 PolarHBondContact O-N 3.35Å; T268-V270 HydrophobicContact CG2-CG2 4.48Å; T268-I344 HydrophobicContact CG2-CD1 3.72Å
269	T	92.4	Very high	91	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.1	170.9	-53.4	0	0	0	0	108.7	V169 L170 V171 L186 L190 I260	V169-T269 PolarHBondContact O-N 3.04Å; L170-T269 WeakPolarHBondContact CA-O 3.38Å; L170-T269 HydrophobicContact CD1-CG2 4.36Å; V171-T269 PolarHBondContact N-O 2.7Å; L186-T269 HydrophobicContact CD2-CG2 4.3Å; L190-T269 HydrophobicContact CD1-CG2 4.12Å; L190-T269 HydrophobicContact CD2-CG2 4.01Å; L190-T269 HydrophobicContact CG-CG2 3.95Å; I260-T269 HydrophobicContact CG2-CG2 3.72Å
270	V	92.4	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.4	-178.4	-171.8	0	0	0	0	108.7	V171 L173 I260 R261 A263 T268 M272 P342 I344	V171-V270 WeakPolarHBondContact O-CA 3.22Å; L173-V270 HydrophobicContact CD1-CG1 3.87Å; L173-V270 HydrophobicContact CG-CG1 4.33Å; I260-V270 WeakPolarHBondContact CA-O 3.44Å; R261-V270 PolarHBondContact N-O 3.3Å; R261-V270 PolarHBondContact O-N 2.65Å; A263-V270 HydrophobicContact CB-CG2 3.73Å; T268-V270 HydrophobicContact CG2-CG2 4.48Å; V270-M272 HydrophobicContact CG1-CG 3.9Å; V270-M272 HydrophobicContact CG1-SD 4.36Å; V270-P342 HydrophobicContact CB-CG 3.8Å; V270-P342 HydrophobicContact CG1-CB 4.3Å; V270-P342 HydrophobicContact CG1-CG 3.96Å; V270-P342 HydrophobicContact CG2-CG 3.84Å; V270-I344 HydrophobicContact CG1-CG2 4.3Å; V270-I344 HydrophobicContact CG2-CG2 3.62Å
271	I	93.5	Very high	91	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.8	170.6	-46.1	-177.5	0	0	0	107.5	L170 V171 L173 L178 L186 I258 I259 I260	L170-I271 HydrophobicContact CD1-CD1 4.14Å; L170-I271 HydrophobicContact CD1-CG1 4.12Å; V171-I271 PolarHBondContact O-N 2.81Å; L173-I271 WeakPolarHBondContact CA-O 3.16Å; L173-I271 WeakPolarHBondContact CB-O 3.37Å; L173-I271 PolarHBondContact N-O 3.15Å; L178-I271 HydrophobicContact CD1-CD1 3.56Å; L178-I271 HydrophobicContact CD2-CD1 3.79Å; L178-I271 HydrophobicContact CG-CD1 4.25Å; L186-I271 HydrophobicContact CD1-CD1 3.5Å; L186-I271 HydrophobicContact CD1-CG1 4.35Å; I258-I271 HydrophobicContact CB-CG2 3.98Å; I258-I271 HydrophobicContact CD1-CG2 3.91Å; I258-I271 HydrophobicContact CG2-CG2 4.22Å; I259-I271 WeakPolarHBondContact O-CA 3.26Å; I260-I271 HydrophobicContact CG1-CG1 4.31Å; I260-I271 HydrophobicContact CG1-CG2 4.33Å
272	M	92.9	Very high	90.9	Very high	10 Å²	10	40 Å²	40	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.3	176.8	-59.4	-178	68.1	0	0	109.1	L173 I258 I259 V270 K274 F277 P342 L351	L173-M272 HydrophobicContact CB-CG 4.22Å; L173-M272 HydrophobicContact CD1-CE 4.46Å; L173-M272 HydrophobicContact CD1-CG 4.13Å; L173-M272 HydrophobicContact CD1-SD 4.44Å; I258-M272 CarbonylContact C-O 3.59Å; I258-M272 WeakPolarHBondContact CA-O 3.25Å; I259-M272 PolarHBondContact N-O 2.59Å; I259-M272 PolarHBondContact O-N 3.18Å; V270-M272 HydrophobicContact CG1-CG 3.9Å; V270-M272 HydrophobicContact CG1-SD 4.36Å; M272-K274 PolarHBondContact O-N 2.92Å; M272-F277 HydrophobicContact CB-CB 4.45Å; M272-F277 HydrophobicContact SD-CD2 3.99Å; M272-P342 HydrophobicContact SD-CB 4.12Å; M272-L351 HydrophobicContact SD-CD2 4.38Å
273	N	93.9	Very high	90.9	Very high	20 Å²	20	40.3 Å²	40.3	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	138.8	164	-64.2	-39	0	0	0	109.1	S174 D175 I275 D276 F277	S174-N273 WeakPolarHBondContact CA-OD1 3.41Å; S174-N273 VanDerWaalsContact CB-OD1 3.29Å; S174-N273 WeakPolarHBondContact CB-OD1 3.1Å; D175-N273 PolarHBondContact N-OD1 3.28Å; D175-N273 PolarHBondContact OD2-ND2 2.93Å; N273-I275 VanDerWaalsContact C-N 3.26Å; N273-I275 PolarHBondContact O-N 3.17Å; N273-D276 HydrophobicContact CB-CB 4.23Å; N273-D276 WeakPolarHBondContact CB-OD2 3.47Å; N273-D276 PolarHBondContact ND2-OD2 2.73Å; N273-D276 PolarHBondContact O-N 2.86Å; N273-F277 WeakPolarHBondContact O-CB 3.43Å; N273-F277 PolarHBondContact O-N 2.72Å
274	K	91.2	Very high	90.7	Very high	77 Å²	77	42.6 Å²	42.6	34%	0.335	21%	0.205	S	C	.	.	H	α-helix	trans	-59.3	-41.8	178.3	177.3	177.6	174.2	-161.9	0	111.1	K256 T257 I259 M272 F277 E278	K256-K274 WeakPolarHBondContact O-CD 3.43Å; T257-K274 WeakPolarHBondContact O-CB 3.32Å; T257-K274 PolarHBondContact O-N 2.79Å; I259-K274 HydrophobicContact CD1-CB 4.19Å; I259-K274 HydrophobicContact CD1-CG 3.91Å; I259-K274 HydrophobicContact CG1-CB 4.04Å; I259-K274 HydrophobicContact CG1-CG 4.15Å; M272-K274 PolarHBondContact O-N 2.92Å; K274-F277 PolarHBondContact O-N 2.84Å; K274-E278 WeakPolarHBondContact CE-OE1 3.33Å; K274-E278 HydrophobicContact CG-CG 4.43Å; K274-E278 WeakPolarHBondContact CG-OE1 3.47Å; K274-E278 IonicContact NZ-OE1 2.75Å; K274-E278 WeakPolarHBondContact O-CB 3.4Å; K274-E278 VanDerWaalsContact O-CG 3.29Å; K274-E278 WeakPolarHBondContact O-CG 3.43Å; K274-E278 PolarHBondContact O-N 3.32Å
275	I	92.5	Very high	90.8	Very high	132 Å²	132	41.7 Å²	41.7	68%	0.677	20%	0.201	S	C	*	.	H	α-helix	trans	-62.3	-50.6	-179.2	-62.8	169.6	0	0	0	110.2	N273 F277 E278 K279	N273-I275 VanDerWaalsContact C-N 3.26Å; N273-I275 PolarHBondContact O-N 3.17Å; I275-F277 VanDerWaalsContact C-N 3.33Å; I275-F277 PolarHBondContact O-N 3.33Å; I275-E278 PolarHBondContact O-N 2.88Å; I275-E278 VanDerWaalsContact O-N 3.16Å; I275-K279 WeakPolarHBondContact O-CB 3.31Å; I275-K279 PolarHBondContact O-N 3.48Å
276	D	91.2	Very high	90.9	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-41.3	179.8	-60.4	-25.9	0	0	0	112.2	N273 E278 K279 K280	N273-D276 HydrophobicContact CB-CB 4.23Å; N273-D276 WeakPolarHBondContact CB-OD2 3.47Å; N273-D276 PolarHBondContact ND2-OD2 2.73Å; N273-D276 PolarHBondContact O-N 2.86Å; D276-E278 VanDerWaalsContact C-N 3.34Å; D276-E278 PolarHBondContact O-N 2.93Å; D276-K279 PolarHBondContact O-N 3.4Å; D276-K280 WeakPolarHBondContact O-CB 3.22Å; D276-K280 WeakPolarHBondContact O-CG 3.3Å; D276-K280 PolarHBondContact O-N 3.37Å
277	F	91.5	Very high	91	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-43.7	175.6	178.7	-86.3	0	0	0	111.5	I259 M272 N273 K274 I275 A281 R340 L351	I259-F277 HydrophobicContact CD1-CB 4.01Å; I259-F277 HydrophobicContact CD1-CD1 3.47Å; I259-F277 VanDerWaalsContact CD1-CD1 3.47Å; I259-F277 HydrophobicContact CD1-CE1 4.26Å; I259-F277 HydrophobicContact CD1-CG 3.83Å; M272-F277 HydrophobicContact CB-CB 4.45Å; M272-F277 HydrophobicContact SD-CD2 3.99Å; N273-F277 WeakPolarHBondContact O-CB 3.43Å; N273-F277 PolarHBondContact O-N 2.72Å; K274-F277 PolarHBondContact O-N 2.84Å; I275-F277 VanDerWaalsContact C-N 3.33Å; I275-F277 PolarHBondContact O-N 3.33Å; F277-A281 VanDerWaalsContact O-CB 3.27Å; F277-A281 WeakPolarHBondContact O-CB 3.32Å; F277-A281 PolarHBondContact O-N 3.3Å; F277-R340 HydrophobicContact CE2-CB 4.33Å; F277-R340 HydrophobicContact CZ-CB 3.97Å; F277-R340 HydrophobicContact CZ-CG 4.46Å; F277-L351 HydrophobicContact CD2-CD1 3.86Å; F277-L351 HydrophobicContact CD2-CD2 4.17Å; F277-L351 HydrophobicContact CE2-CD1 3.63Å; F277-L351 HydrophobicContact CE2-CD2 3.94Å; F277-L351 HydrophobicContact CE2-CG 4.41Å; F277-L351 HydrophobicContact CZ-CD1 4.1Å
278	E	91.2	Very high	90.9	Very high	38 Å²	38	52.3 Å²	52.3	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-71.4	-36.1	179.9	-74.9	174.5	-178.4	0	0	112.4	K274 I275 D276 A281 K282 R463	K274-E278 WeakPolarHBondContact CE-OE1 3.33Å; K274-E278 HydrophobicContact CG-CG 4.43Å; K274-E278 WeakPolarHBondContact CG-OE1 3.47Å; K274-E278 IonicContact NZ-OE1 2.75Å; K274-E278 WeakPolarHBondContact O-CB 3.4Å; K274-E278 VanDerWaalsContact O-CG 3.29Å; K274-E278 WeakPolarHBondContact O-CG 3.43Å; K274-E278 PolarHBondContact O-N 3.32Å; I275-E278 PolarHBondContact O-N 2.88Å; I275-E278 VanDerWaalsContact O-N 3.16Å; D276-E278 VanDerWaalsContact C-N 3.34Å; D276-E278 PolarHBondContact O-N 2.93Å; E278-A281 WeakPolarHBondContact O-CB 3.46Å; E278-A281 PolarHBondContact O-N 3.05Å; E278-K282 WeakPolarHBondContact O-CG 3.12Å; E278-K282 PolarHBondContact O-N 3.44Å; E278-R463 IonicContact OE1-CZ 3.73Å; E278-R463 IonicContact OE1-NE 2.85Å; E278-R463 PolarHBondContact OE1-NE 3.24Å; E278-R463 IonicContact OE1-NH2 3.98Å; E278-R463 PolarHBondContact OE1-NH2 2.87Å
279	K	92.3	Very high	90.7	Very high	126 Å²	126	53.7 Å²	53.7	55%	0.548	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-55.8	172.5	-178.2	-179.5	173.9	-177.9	0	110.8	I275 D276 A281 K282 E283	I275-K279 WeakPolarHBondContact O-CB 3.31Å; I275-K279 PolarHBondContact O-N 3.48Å; D276-K279 PolarHBondContact O-N 3.4Å; K279-A281 PolarHBondContact O-N 3.01Å; K279-A281 VanDerWaalsContact O-N 3.16Å; K279-K282 PolarHBondContact O-N 3.19Å; K279-E283 WeakPolarHBondContact CE-OE1 3.48Å; K279-E283 WeakPolarHBondContact CG-OE1 3.47Å; K279-E283 WeakPolarHBondContact O-CG 3.39Å; K279-E283 PolarHBondContact O-N 2.99Å
280	K	91.6	Very high	90.6	Very high	63 Å²	63	54.4 Å²	54.4	27%	0.274	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-31.5	174.5	-71.6	-171.8	177.9	-164.3	0	112.5	D276 E283 H284 R340 S348 I349 L351	D276-K280 WeakPolarHBondContact O-CB 3.22Å; D276-K280 WeakPolarHBondContact O-CG 3.3Å; D276-K280 PolarHBondContact O-N 3.37Å; K280-E283 WeakPolarHBondContact CA-OE2 3.32Å; K280-H284 PolarHBondContact O-N 2.68Å; K280-R340 PolarHBondContact O-NH1 2.81Å; K280-S348 PolarHBondContact NZ-O 2.61Å; K280-I349 PolarHBondContact NZ-O 2.93Å; K280-L351 HydrophobicContact CB-CD1 3.73Å; K280-L351 HydrophobicContact CB-CG 4.28Å
281	A	90.7	Very high	90.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-51.2	173.4	0	0	0	0	0	111.6	F277 E278 K279 L285 R340 F462	F277-A281 VanDerWaalsContact O-CB 3.27Å; F277-A281 WeakPolarHBondContact O-CB 3.32Å; F277-A281 PolarHBondContact O-N 3.3Å; E278-A281 WeakPolarHBondContact O-CB 3.46Å; E278-A281 PolarHBondContact O-N 3.05Å; K279-A281 PolarHBondContact O-N 3.01Å; K279-A281 VanDerWaalsContact O-N 3.16Å; A281-L285 WeakPolarHBondContact O-CG 3.5Å; A281-L285 PolarHBondContact O-N 3.01Å; A281-R340 VanDerWaalsContact CA-CZ 3.45Å; A281-R340 VanDerWaalsContact CA-NH1 3.32Å; A281-R340 VanDerWaalsContact O-CZ 3.28Å; A281-R340 PolarHBondContact O-NH2 3.47Å; A281-F462 HydrophobicContact CB-CE1 3.64Å; A281-F462 HydrophobicContact CB-CE2 4.14Å; A281-F462 HydrophobicContact CB-CZ 3.29Å
282	K	90.9	Very high	90.5	Very high	96 Å²	96	61.9 Å²	61.9	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-42.8	179.9	-71.8	-179.5	175.4	-169.8	0	112.5	E278 K279 H284 L285 Q286 F462	E278-K282 WeakPolarHBondContact O-CG 3.12Å; E278-K282 PolarHBondContact O-N 3.44Å; K279-K282 PolarHBondContact O-N 3.19Å; K282-H284 PolarHBondContact O-N 3.3Å; K282-L285 WeakPolarHBondContact O-CA 3.45Å; K282-L285 WeakPolarHBondContact O-CB 3.28Å; K282-L285 PolarHBondContact O-N 2.96Å; K282-Q286 WeakPolarHBondContact O-CG 3.37Å; K282-Q286 PolarHBondContact O-N 3.41Å; K282-F462 HydrophobicContact CG-CE1 4.39Å
283	E	91.2	Very high	90.3	Very high	72 Å²	72	62 Å²	62	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-53.4	-53.6	178.6	-73.2	166.3	173.1	0	0	111.9	K279 K280 L285 Q286 E287	K279-E283 WeakPolarHBondContact CE-OE1 3.48Å; K279-E283 WeakPolarHBondContact CG-OE1 3.47Å; K279-E283 WeakPolarHBondContact O-CG 3.39Å; K279-E283 PolarHBondContact O-N 2.99Å; K280-E283 WeakPolarHBondContact CA-OE2 3.32Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 3.01Å; E283-Q286 WeakPolarHBondContact O-CA 3.4Å; E283-Q286 WeakPolarHBondContact O-CB 3.21Å; E283-Q286 PolarHBondContact O-N 3Å; E283-E287 WeakPolarHBondContact O-CG 3.46Å; E283-E287 PolarHBondContact O-N 3.19Å
284	H	87.7	Confident	89.8	Confident	51 Å²	51	68.8 Å²	68.8	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-26.7	176.5	170.4	96.1	0	0	0	114.1	K280 K282 G288 Y290 R340	K280-H284 PolarHBondContact O-N 2.68Å; K282-H284 PolarHBondContact O-N 3.3Å; H284-G288 WeakPolarHBondContact O-CA 3.33Å; H284-G288 PolarHBondContact O-N 2.91Å; H284-Y290 AromaticContact CD2-CE2 3.82Å; H284-Y290 AromaticContact NE2-CE2 3.64Å; H284-R340 VanDerWaalsContact CB-NH2 3.33Å; H284-R340 VanDerWaalsContact CD2-CZ 3.41Å; H284-R340 PolarHBondContact CD2-NH2 3.06Å
285	L	90.2	Very high	89.2	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-71.3	-25.9	173.1	-72.3	175.2	0	0	0	111.2	A281 K282 E283 Y290 F338 F460 F462 Y467	A281-L285 WeakPolarHBondContact O-CG 3.5Å; A281-L285 PolarHBondContact O-N 3.01Å; K282-L285 WeakPolarHBondContact O-CA 3.45Å; K282-L285 WeakPolarHBondContact O-CB 3.28Å; K282-L285 PolarHBondContact O-N 2.96Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 3.01Å; L285-Y290 HydrophobicContact CD2-CD2 3.78Å; L285-Y290 HydrophobicContact CD2-CE2 4.14Å; L285-Y290 HydrophobicContact CD2-CG 3.96Å; L285-F338 HydrophobicContact CD1-CE1 4.27Å; L285-F338 HydrophobicContact CD2-CE1 4.05Å; L285-F338 HydrophobicContact CD2-CE2 4.35Å; L285-F338 HydrophobicContact CD2-CZ 3.87Å; L285-F338 HydrophobicContact CG-CE1 4.3Å; L285-F338 HydrophobicContact CG-CZ 4.48Å; L285-F460 HydrophobicContact CD2-CE2 3.83Å; L285-F460 HydrophobicContact CD2-CZ 3.81Å; L285-F462 HydrophobicContact CD1-CB 4.26Å; L285-F462 HydrophobicContact CD1-CD1 3.68Å; L285-F462 HydrophobicContact CD1-CE1 4.38Å; L285-F462 HydrophobicContact CD1-CG 4.17Å; L285-Y467 HydrophobicContact CB-CE1 4.17Å; L285-Y467 HydrophobicContact CD1-CD1 4.39Å; L285-Y467 HydrophobicContact CD1-CD2 4.27Å; L285-Y467 HydrophobicContact CD1-CE1 3.97Å; L285-Y467 HydrophobicContact CD1-CE2 3.82Å
286	Q	89.7	Confident	88.5	Confident	156 Å²	156	68.6 Å²	68.6	73%	0.729	35%	0.346	S	S	*	.	H	α-helix	trans	-81	-42	174.9	-68	168.8	-28	0	0	111.9	K282 E283	K282-Q286 WeakPolarHBondContact O-CG 3.37Å; K282-Q286 PolarHBondContact O-N 3.41Å; E283-Q286 WeakPolarHBondContact O-CA 3.4Å; E283-Q286 WeakPolarHBondContact O-CB 3.21Å; E283-Q286 PolarHBondContact O-N 3Å
287	E	86.5	Confident	88.1	Confident	163 Å²	163	72 Å²	72	76%	0.762	36%	0.357	S	S	*	.	H	α-helix	trans	-76.4	-29.3	178.8	-67.5	172.6	174.7	0	0	113.2	E283	E283-E287 WeakPolarHBondContact O-CG 3.46Å; E283-E287 PolarHBondContact O-N 3.19Å
288	G	84.9	Confident	87.6	Confident	18 Å²	18	72.9 Å²	72.9	19%	0.186	36%	0.363	C	S	.	.	S	Bend	trans	-80.2	175.7	-176.2	0	0	0	0	0	113.7	H284 Y290	H284-G288 WeakPolarHBondContact O-CA 3.33Å; H284-G288 PolarHBondContact O-N 2.91Å; G288-Y290 PolarHBondContact O-N 3.36Å
289	P	86.6	Confident	87.1	Confident	31 Å²	31	77.5 Å²	77.5	20%	0.201	38%	0.379	C	S	.	.	S	Bend	trans	-76.7	48.5	179.8	34	-37	0	0	0	112	K470 E471	P289-K470 PolarHBondContact O-N 3.4Å; P289-E471 HydrophobicContact CB-CB 3.88Å
290	Y	90.6	Very high	86.8	Confident	16 Å²	16	76 Å²	76	6%	0.063	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.8	-177	-49.1	-73.7	0	0	0	111.1	H284 L285 G288 F460 R468 Q469 K470	H284-Y290 AromaticContact CD2-CE2 3.82Å; H284-Y290 AromaticContact NE2-CE2 3.64Å; L285-Y290 HydrophobicContact CD2-CD2 3.78Å; L285-Y290 HydrophobicContact CD2-CE2 4.14Å; L285-Y290 HydrophobicContact CD2-CG 3.96Å; G288-Y290 PolarHBondContact O-N 3.36Å; Y290-F460 AromaticContact CD1-CE1 3.62Å; Y290-F460 HydrophobicContact CD1-CE1 3.62Å; Y290-F460 AromaticContact CD1-CZ 3.49Å; Y290-F460 HydrophobicContact CD1-CZ 3.49Å; Y290-F460 VanDerWaalsContact CD1-CZ 3.49Å; Y290-F460 AromaticContact CE1-CE1 3.76Å; Y290-F460 HydrophobicContact CE1-CE1 3.76Å; Y290-F460 AromaticContact CE1-CZ 3.77Å; Y290-F460 HydrophobicContact CE1-CZ 3.77Å; Y290-F460 HydrophobicContact CG-CZ 4.13Å; Y290-R468 CarbonylContact C-O 3.52Å; Y290-R468 WeakPolarHBondContact CA-O 3.5Å; Y290-Q469 HydrophobicContact CD1-CB 4.06Å; Y290-Q469 HydrophobicContact CD1-CG 4.21Å; Y290-Q469 HydrophobicContact CE1-CB 4.2Å; Y290-Q469 HydrophobicContact CE1-CG 4.05Å; Y290-K470 WeakPolarHBondContact O-CE 3.22Å
291	E	91.3	Very high	86.5	Confident	62 Å²	62	74.7 Å²	74.7	29%	0.29	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.2	177.5	-177.5	-173.2	173.4	0	0	109.1	I293 Y467 R468 K470	E291-I293 PolarHBondContact O-N 2.88Å; E291-Y467 CarbonylContact O-C 3.54Å; E291-Y467 WeakPolarHBondContact O-CA 3.23Å; E291-R468 HydrophobicContact CB-CB 4.46Å; E291-R468 VanDerWaalsContact CD-NH2 3.29Å; E291-R468 PolarHBondContact N-O 3.41Å; E291-R468 PolarHBondContact O-N 2.95Å; E291-R468 IonicContact OE1-NH2 3.57Å; E291-R468 PolarHBondContact OE1-NH2 2.76Å; E291-R468 IonicContact OE2-CZ 3.82Å; E291-R468 IonicContact OE2-NE 3.11Å; E291-R468 PolarHBondContact OE2-NE 2.92Å; E291-R468 IonicContact OE2-NH2 3.28Å; E291-R468 PolarHBondContact OE2-NH2 3.18Å; E291-K470 HydrophobicContact CB-CD 3.85Å; E291-K470 HydrophobicContact CB-CG 4Å
292	L	91.5	Very high	86.2	Confident	96 Å²	96	75.4 Å²	75.4	50%	0.503	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	120.6	170.5	176.5	62.2	0	0	0	109.7	D465 Y467	L292-D465 HydrophobicContact CD1-CB 3.72Å; L292-Y467 HydrophobicContact CB-CD1 4.18Å; L292-Y467 HydrophobicContact CB-CE1 3.88Å; L292-Y467 HydrophobicContact CD1-CD1 4.31Å; L292-Y467 HydrophobicContact CD1-CE1 3.81Å; L292-Y467 HydrophobicContact CD1-CE2 4.24Å; L292-Y467 HydrophobicContact CG-CE1 4.4Å
293	I	88.6	Confident	85.9	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.056	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.3	172.2	-63.9	165.9	0	0	0	108	E291 D295 K297 T301 L459 L466 R468	E291-I293 PolarHBondContact O-N 2.88Å; I293-D295 PolarHBondContact O-N 3.34Å; I293-K297 HydrophobicContact CG2-CB 4.08Å; I293-T301 HydrophobicContact CD1-CG2 3.91Å; I293-L459 HydrophobicContact CD1-CD2 3.63Å; I293-L466 HydrophobicContact CB-CB 4.28Å; I293-L466 HydrophobicContact CB-CD2 4.22Å; I293-L466 HydrophobicContact CB-CG 4.36Å; I293-L466 HydrophobicContact CD1-CD2 3.73Å; I293-L466 HydrophobicContact CD1-CG 3.97Å; I293-L466 HydrophobicContact CG2-CD2 4.2Å; I293-L466 PolarHBondContact N-O 3.02Å; I293-R468 HydrophobicContact CD1-CB 3.92Å; I293-R468 HydrophobicContact CG1-CB 4.41Å
294	K	84.7	Confident	85.7	Confident	163 Å²	163	77.1 Å²	77.1	71%	0.709	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-57.2	138.1	175.8	-62.7	-173.2	178.9	-174	0	110.8	A296 K297 S298	K294-A296 VanDerWaalsContact C-N 3.27Å; K294-A296 PolarHBondContact O-N 2.99Å; K294-A296 VanDerWaalsContact O-N 3.12Å; K294-K297 WeakPolarHBondContact O-CA 3.27Å; K294-K297 PolarHBondContact O-N 2.88Å; K294-S298 PolarHBondContact O-N 3.02Å; K294-S298 PolarHBondContact O-OG 2.88Å
295	D	78.4	Confident	85.6	Confident	110 Å²	110	75.6 Å²	75.6	59%	0.588	39%	0.385	S	S	*	.	H	α-helix	trans	-50.1	-42.3	-176.6	-67.7	-22.2	0	0	0	114.4	I293 K297 S298	I293-D295 PolarHBondContact O-N 3.34Å; D295-K297 PolarHBondContact O-N 3.26Å; D295-K297 VanDerWaalsContact O-N 3.13Å; D295-S298 WeakPolarHBondContact CA-OG 3.33Å; D295-S298 WeakPolarHBondContact O-CB 3.09Å; D295-S298 PolarHBondContact O-N 3.33Å
296	A	78	Confident	85.4	Confident	96 Å²	96	78.6 Å²	78.6	79%	0.793	40%	0.398	S	S	*	.	H	α-helix	trans	-58.5	-27.5	177.2	0	0	0	0	0	113.4	K294	K294-A296 VanDerWaalsContact C-N 3.27Å; K294-A296 PolarHBondContact O-N 2.99Å; K294-A296 VanDerWaalsContact O-N 3.12Å
297	K	81.7	Confident	85.3	Confident	138 Å²	138	74 Å²	74	60%	0.6	39%	0.387	S	S	*	.	H	α-helix	trans	-97.2	-11.8	178.1	-64.5	-173.8	178.8	-175.9	0	112.7	I293 K294 D295 R299 T300 T301	I293-K297 HydrophobicContact CG2-CB 4.08Å; K294-K297 WeakPolarHBondContact O-CA 3.27Å; K294-K297 PolarHBondContact O-N 2.88Å; D295-K297 PolarHBondContact O-N 3.26Å; D295-K297 VanDerWaalsContact O-N 3.13Å; K297-R299 PolarHBondContact O-N 2.69Å; K297-T300 PolarHBondContact O-N 2.86Å; K297-T301 WeakPolarHBondContact O-CB 3.39Å; K297-T301 PolarHBondContact O-N 3.48Å; K297-T301 PolarHBondContact O-OG1 3.41Å
298	S	81.4	Confident	85.3	Confident	19 Å²	19	70.2 Å²	70.2	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-58.1	-49.2	-171.8	-67.1	0	0	0	0	112.8	K294 D295 L302	K294-S298 PolarHBondContact O-N 3.02Å; K294-S298 PolarHBondContact O-OG 2.88Å; D295-S298 WeakPolarHBondContact CA-OG 3.33Å; D295-S298 WeakPolarHBondContact O-CB 3.09Å; D295-S298 PolarHBondContact O-N 3.33Å; S298-L302 WeakPolarHBondContact O-CG 3.42Å; S298-L302 PolarHBondContact O-N 3.37Å
299	R	81.2	Confident	85.4	Confident	134 Å²	134	69.4 Å²	69.4	51%	0.506	36%	0.36	S	S	.	.	H	α-helix	trans	-68.3	-39.5	178.8	-170.6	56.4	172.8	-175.3	-1.6	112.3	K297 L302 N303	K297-R299 PolarHBondContact O-N 2.69Å; R299-L302 PolarHBondContact O-N 3.49Å; R299-N303 WeakPolarHBondContact O-CB 3.33Å; R299-N303 VanDerWaalsContact O-CG 3.29Å; R299-N303 PolarHBondContact O-N 2.64Å
300	T	85.9	Confident	85.4	Confident	94 Å²	94	69.7 Å²	69.7	58%	0.577	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-42.9	178.1	-52.4	0	0	0	0	111.7	K297 N303 K304	K297-T300 PolarHBondContact O-N 2.86Å; T300-N303 PolarHBondContact O-N 2.85Å; T300-K304 VanDerWaalsContact O-CB 3.27Å; T300-K304 WeakPolarHBondContact O-CB 3.37Å; T300-K304 PolarHBondContact O-N 3.18Å
301	T	85.2	Confident	85.3	Confident	36 Å²	36	76.8 Å²	76.8	22%	0.221	40%	0.395	C	S	.	.	H	α-helix	trans	-62.9	-43.3	176.8	-58.6	0	0	0	0	111.7	I293 K297 K304 L305 L459	I293-T301 HydrophobicContact CD1-CG2 3.91Å; K297-T301 WeakPolarHBondContact O-CB 3.39Å; K297-T301 PolarHBondContact O-N 3.48Å; K297-T301 PolarHBondContact O-OG1 3.41Å; T301-K304 PolarHBondContact O-N 3.33Å; T301-L305 WeakPolarHBondContact O-CB 3.38Å; T301-L305 PolarHBondContact O-N 3.42Å; T301-L459 HydrophobicContact CG2-CD1 4.02Å; T301-L459 HydrophobicContact CG2-CD2 4.42Å
302	L	83.4	Confident	85.2	Confident	15 Å²	15	76 Å²	76	8%	0.079	39%	0.392	C	S	.	.	H	α-helix	trans	-63.3	-45.3	175.7	-76.2	170.2	0	0	0	112	S298 R299 L305 K306 C333 P335 L459 L466	S298-L302 WeakPolarHBondContact O-CG 3.42Å; S298-L302 PolarHBondContact O-N 3.37Å; R299-L302 PolarHBondContact O-N 3.49Å; L302-L305 PolarHBondContact O-N 3.45Å; L302-K306 PolarHBondContact O-N 3.44Å; L302-C333 PolarHBondContact O-SG 2.93Å; L302-P335 HydrophobicContact CD1-CB 4.41Å; L302-P335 HydrophobicContact CD1-CG 4.17Å; L302-P335 HydrophobicContact CD2-CB 4.04Å; L302-L459 HydrophobicContact CD2-CD1 3.81Å; L302-L466 HydrophobicContact CG-CD2 4.29Å
303	N	85.2	Confident	85	Confident	76 Å²	76	71.5 Å²	71.5	41%	0.406	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-39.2	177.4	-73.6	-14.8	0	0	0	112.2	R299 T300 K306 A307	R299-N303 WeakPolarHBondContact O-CB 3.33Å; R299-N303 VanDerWaalsContact O-CG 3.29Å; R299-N303 PolarHBondContact O-N 2.64Å; T300-N303 PolarHBondContact O-N 2.85Å; N303-K306 WeakPolarHBondContact O-CB 3.42Å; N303-K306 PolarHBondContact O-N 2.93Å; N303-A307 WeakPolarHBondContact O-CB 3.23Å; N303-A307 PolarHBondContact O-N 3.4Å
304	K	87.4	Confident	85	Confident	129 Å²	129	76.7 Å²	76.7	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-60.4	-46.9	174.7	179	174.6	173.7	175.6	0	110.5	T300 T301 K306 A307 E308	T300-K304 VanDerWaalsContact O-CB 3.27Å; T300-K304 WeakPolarHBondContact O-CB 3.37Å; T300-K304 PolarHBondContact O-N 3.18Å; T301-K304 PolarHBondContact O-N 3.33Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.43Å; K304-A307 WeakPolarHBondContact O-CB 3.06Å; K304-A307 PolarHBondContact O-N 3.37Å; K304-A307 VanDerWaalsContact O-N 3.16Å; K304-E308 WeakPolarHBondContact CE-OE1 3.35Å; K304-E308 IonicContact NZ-OE1 3.98Å; K304-E308 WeakPolarHBondContact O-CG 3.34Å; K304-E308 PolarHBondContact O-N 3.33Å
305	L	86.1	Confident	85.2	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-62.6	-40.8	177	-175.5	71.2	0	0	0	111.9	T301 L302 A307 E308 T309 L361 L453 L459	T301-L305 WeakPolarHBondContact O-CB 3.38Å; T301-L305 PolarHBondContact O-N 3.42Å; L302-L305 PolarHBondContact O-N 3.45Å; L305-A307 VanDerWaalsContact C-N 3.34Å; L305-A307 PolarHBondContact O-N 3.43Å; L305-E308 PolarHBondContact O-N 2.78Å; L305-T309 WeakPolarHBondContact O-CB 3.39Å; L305-T309 PolarHBondContact O-N 3.35Å; L305-T309 PolarHBondContact O-OG1 3.21Å; L305-L361 HydrophobicContact CB-CD2 4.12Å; L305-L361 HydrophobicContact CD2-CD2 3.62Å; L305-L361 HydrophobicContact CG-CD2 3.47Å; L305-L361 VanDerWaalsContact CG-CD2 3.47Å; L305-L361 WeakPolarHBondContact O-CD2 3.46Å; L305-L453 HydrophobicContact CD1-CD1 4.14Å; L305-L459 HydrophobicContact CD2-CD1 3.77Å; L305-L459 HydrophobicContact CD2-CG 4.4Å
306	K	85.7	Confident	85.7	Confident	68 Å²	68	68.4 Å²	68.4	30%	0.296	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-44.6	172.7	-176.8	173.3	-174.2	-179.8	0	111.7	L302 N303 K304 S310 C333 L361	L302-K306 PolarHBondContact O-N 3.44Å; N303-K306 WeakPolarHBondContact O-CB 3.42Å; N303-K306 PolarHBondContact O-N 2.93Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.43Å; K306-S310 VanDerWaalsContact O-CB 3.31Å; K306-S310 WeakPolarHBondContact O-CB 3.47Å; K306-S310 PolarHBondContact O-N 3.05Å; K306-S310 PolarHBondContact O-OG 2.95Å; K306-C333 HydrophobicContact CD-CB 4.12Å; K306-L361 HydrophobicContact CB-CD1 3.81Å; K306-L361 HydrophobicContact CB-CD2 4.36Å; K306-L361 HydrophobicContact CD-CD1 4.43Å; K306-L361 HydrophobicContact CG-CD1 3.89Å
307	A	87.5	Confident	86.1	Confident	60 Å²	60	67.3 Å²	67.3	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-44.8	178.4	0	0	0	0	0	111.8	N303 K304 L305 S310 K311	N303-A307 WeakPolarHBondContact O-CB 3.23Å; N303-A307 PolarHBondContact O-N 3.4Å; K304-A307 WeakPolarHBondContact O-CB 3.06Å; K304-A307 PolarHBondContact O-N 3.37Å; K304-A307 VanDerWaalsContact O-N 3.16Å; L305-A307 VanDerWaalsContact C-N 3.34Å; L305-A307 PolarHBondContact O-N 3.43Å; A307-S310 PolarHBondContact O-N 3.19Å; A307-K311 VanDerWaalsContact O-CB 3.3Å; A307-K311 WeakPolarHBondContact O-CB 3.32Å; A307-K311 PolarHBondContact O-N 3.46Å
308	E	87	Confident	86.4	Confident	83 Å²	83	67.5 Å²	67.5	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-47.5	175.8	-74.9	174	-178	0	0	111.6	K304 L305 S310 K311 I312	K304-E308 WeakPolarHBondContact CE-OE1 3.35Å; K304-E308 IonicContact NZ-OE1 3.98Å; K304-E308 WeakPolarHBondContact O-CG 3.34Å; K304-E308 PolarHBondContact O-N 3.33Å; L305-E308 PolarHBondContact O-N 2.78Å; E308-S310 VanDerWaalsContact C-N 3.33Å; E308-S310 PolarHBondContact O-N 3.5Å; E308-K311 PolarHBondContact O-N 2.92Å; E308-I312 WeakPolarHBondContact O-CG1 3.4Å; E308-I312 PolarHBondContact O-N 2.84Å
309	T	86.3	Confident	86.6	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-45.9	176.2	-55.6	0	0	0	0	111	L305 K311 I312 L313 P330 L361 L453	L305-T309 WeakPolarHBondContact O-CB 3.39Å; L305-T309 PolarHBondContact O-N 3.35Å; L305-T309 PolarHBondContact O-OG1 3.21Å; T309-K311 VanDerWaalsContact C-N 3.34Å; T309-K311 PolarHBondContact O-N 3.42Å; T309-I312 PolarHBondContact O-N 2.95Å; T309-L313 HydrophobicContact CG2-CD1 3.95Å; T309-L313 HydrophobicContact CG2-CG 4.49Å; T309-L313 WeakPolarHBondContact O-CB 3.48Å; T309-L313 VanDerWaalsContact O-CG 3.29Å; T309-L313 WeakPolarHBondContact O-CG 3.2Å; T309-L313 PolarHBondContact O-N 2.96Å; T309-P330 HydrophobicContact CG2-CG 4.03Å; T309-L361 VanDerWaalsContact OG1-CD2 3.26Å; T309-L361 WeakPolarHBondContact OG1-CD2 3.18Å; T309-L453 HydrophobicContact CG2-CD2 3.97Å
310	S	87	Confident	86.8	Confident	38 Å²	38	64.8 Å²	64.8	27%	0.266	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-38.9	178.8	-56.4	0	0	0	0	111.7	K306 A307 E308 H314	K306-S310 VanDerWaalsContact O-CB 3.31Å; K306-S310 WeakPolarHBondContact O-CB 3.47Å; K306-S310 PolarHBondContact O-N 3.05Å; K306-S310 PolarHBondContact O-OG 2.95Å; A307-S310 PolarHBondContact O-N 3.19Å; E308-S310 VanDerWaalsContact C-N 3.33Å; E308-S310 PolarHBondContact O-N 3.5Å; S310-H314 WeakPolarHBondContact O-CB 3.19Å; S310-H314 PolarHBondContact O-N 3.43Å
311	K	88.9	Confident	86.9	Confident	165 Å²	165	61.6 Å²	61.6	72%	0.717	33%	0.328	S	S	*	.	H	α-helix	trans	-63	-49.5	177.9	-175.8	-179.3	179.7	-178.9	0	111.3	A307 E308 T309 H314 S315	A307-K311 VanDerWaalsContact O-CB 3.3Å; A307-K311 WeakPolarHBondContact O-CB 3.32Å; A307-K311 PolarHBondContact O-N 3.46Å; E308-K311 PolarHBondContact O-N 2.92Å; T309-K311 VanDerWaalsContact C-N 3.34Å; T309-K311 PolarHBondContact O-N 3.42Å; K311-H314 PolarHBondContact O-N 3.42Å; K311-S315 PolarHBondContact O-N 2.6Å; K311-S315 VanDerWaalsContact O-N 3.08Å; K311-S315 PolarHBondContact O-OG 3.34Å
312	I	87.8	Confident	86.9	Confident	46 Å²	46	63.5 Å²	63.5	24%	0.236	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-44.9	178.3	-65	177.8	0	0	0	110.6	E308 T309 H314 S315 L316 L453	E308-I312 WeakPolarHBondContact O-CG1 3.4Å; E308-I312 PolarHBondContact O-N 2.84Å; T309-I312 PolarHBondContact O-N 2.95Å; I312-H314 VanDerWaalsContact C-N 3.3Å; I312-H314 PolarHBondContact O-N 3.49Å; I312-S315 PolarHBondContact O-N 2.61Å; I312-S315 PolarHBondContact O-OG 3.14Å; I312-L316 HydrophobicContact CG2-CD1 4.17Å; I312-L316 WeakPolarHBondContact O-CG 3.27Å; I312-L316 PolarHBondContact O-N 3.08Å; I312-L453 HydrophobicContact CD1-CB 4.46Å; I312-L453 HydrophobicContact CD1-CD2 4.24Å
313	L	87.6	Confident	87.2	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-32.6	178.3	-70.2	177.1	0	0	0	112.4	T309 L316 K317 L320 W325 L328 N329 L365	T309-L313 HydrophobicContact CG2-CD1 3.95Å; T309-L313 HydrophobicContact CG2-CG 4.49Å; T309-L313 WeakPolarHBondContact O-CB 3.48Å; T309-L313 VanDerWaalsContact O-CG 3.29Å; T309-L313 WeakPolarHBondContact O-CG 3.2Å; T309-L313 PolarHBondContact O-N 2.96Å; L313-L316 CarbonylContact O-C 3.54Å; L313-L316 PolarHBondContact O-N 2.93Å; L313-K317 PolarHBondContact O-N 2.79Å; L313-K317 VanDerWaalsContact O-N 3.09Å; L313-L320 HydrophobicContact CD2-CD1 4.27Å; L313-W325 PolarHBondContact O-NE1 3.3Å; L313-L328 HydrophobicContact CD1-CB 4.32Å; L313-L328 HydrophobicContact CD2-CB 4.25Å; L313-N329 HydrophobicContact CD1-CB 4.3Å; L313-L365 HydrophobicContact CD2-CD1 4.21Å
314	H	87.9	Confident	87.2	Confident	120 Å²	120	66 Å²	66	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-67.6	-42.7	176.5	-169.3	78.7	0	0	0	111.9	S310 K311 I312 L316 K317	S310-H314 WeakPolarHBondContact O-CB 3.19Å; S310-H314 PolarHBondContact O-N 3.43Å; K311-H314 PolarHBondContact O-N 3.42Å; I312-H314 VanDerWaalsContact C-N 3.3Å; I312-H314 PolarHBondContact O-N 3.49Å; H314-L316 PolarHBondContact O-N 2.81Å; H314-K317 WeakPolarHBondContact O-CB 3.4Å; H314-K317 PolarHBondContact O-N 2.84Å; H314-K317 VanDerWaalsContact O-N 3.1Å
315	S	89.3	Confident	87.3	Confident	89 Å²	89	61.4 Å²	61.4	62%	0.622	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-27.7	174.2	51.8	0	0	0	0	112.8	K311 I312	K311-S315 PolarHBondContact O-N 2.6Å; K311-S315 VanDerWaalsContact O-N 3.08Å; K311-S315 PolarHBondContact O-OG 3.34Å; I312-S315 PolarHBondContact O-N 2.61Å; I312-S315 PolarHBondContact O-OG 3.14Å
316	L	88.9	Confident	87.3	Confident	9 Å²	9	66.4 Å²	66.4	5%	0.047	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	3	179.3	-59.4	176.4	0	0	0	113.5	I312 L313 H314 V318 K319 L320 L442 E446 C450	I312-L316 HydrophobicContact CG2-CD1 4.17Å; I312-L316 WeakPolarHBondContact O-CG 3.27Å; I312-L316 PolarHBondContact O-N 3.08Å; L313-L316 CarbonylContact O-C 3.54Å; L313-L316 PolarHBondContact O-N 2.93Å; H314-L316 PolarHBondContact O-N 2.81Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 3.22Å; L316-K319 PolarHBondContact O-N 2.72Å; L316-L320 HydrophobicContact CB-CD1 3.75Å; L316-L320 HydrophobicContact CB-CG 4.23Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 2.87Å; L316-L442 HydrophobicContact CB-CD2 4.13Å; L316-L442 HydrophobicContact CD1-CD1 4.36Å; L316-L442 HydrophobicContact CD1-CD2 3.93Å; L316-L442 HydrophobicContact CD2-CD2 4Å; L316-L442 HydrophobicContact CG-CD2 4.23Å; L316-E446 HydrophobicContact CD2-CB 3.98Å; L316-E446 HydrophobicContact CD2-CG 3.86Å; L316-C450 WeakPolarHBondContact CD1-SG 3.2Å
317	K	86.5	Confident	87.3	Confident	74 Å²	74	68.2 Å²	68.2	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-38.6	-173.3	-177.1	178.7	176.6	-172.9	0	112.6	L313 H314 G321 W325	L313-K317 PolarHBondContact O-N 2.79Å; L313-K317 VanDerWaalsContact O-N 3.09Å; H314-K317 WeakPolarHBondContact O-CB 3.4Å; H314-K317 PolarHBondContact O-N 2.84Å; H314-K317 VanDerWaalsContact O-N 3.1Å; K317-G321 PolarHBondContact O-N 2.77Å; K317-W325 HydrophobicContact CB-CG 4.29Å; K317-W325 HydrophobicContact CD-CD2 4.21Å; K317-W325 HydrophobicContact CD-CG 4.42Å; K317-W325 HydrophobicContact CG-CB 4.31Å; K317-W325 HydrophobicContact CG-CD2 4.2Å; K317-W325 HydrophobicContact CG-CG 3.88Å
318	V	87.5	Confident	87.3	Confident	141 Å²	141	65.5 Å²	65.5	86%	0.855	35%	0.348	S	S	*	.	H	α-helix	trans	-63.3	-47.4	-179.6	179.8	0	0	0	0	110.7	L316	L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 3.22Å
319	K	86.4	Confident	87.2	Confident	83 Å²	83	63.1 Å²	63.1	36%	0.361	34%	0.338	S	S	.	.	H	α-helix	trans	-71.5	-42.3	-179.9	-69.9	-176.6	171.1	-176.2	0	113.1	L316 G321 P441 L442 D443 E446	L316-K319 PolarHBondContact O-N 2.72Å; K319-G321 VanDerWaalsContact C-N 3.29Å; K319-G321 PolarHBondContact O-N 2.66Å; K319-P441 VanDerWaalsContact O-CB 3.3Å; K319-P441 WeakPolarHBondContact O-CB 3.4Å; K319-L442 HydrophobicContact CB-CD2 4.48Å; K319-D443 VanDerWaalsContact NZ-CG 3.28Å; K319-D443 IonicContact NZ-OD1 2.67Å; K319-D443 IonicContact NZ-OD2 2.83Å; K319-D443 PolarHBondContact NZ-OD2 3.06Å; K319-E446 WeakPolarHBondContact CD-OE2 3.2Å; K319-E446 IonicContact NZ-OE1 3.6Å; K319-E446 PolarHBondContact NZ-OE1 3.48Å; K319-E446 IonicContact NZ-OE2 2.84Å; K319-E446 PolarHBondContact NZ-OE2 3.02Å
320	L	86	Confident	86.7	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.073	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-29.3	-178.8	-68.5	166.7	0	0	0	112.4	L313 L316 L324 L328 Y368 P441 L442	L313-L320 HydrophobicContact CD2-CD1 4.27Å; L316-L320 HydrophobicContact CB-CD1 3.75Å; L316-L320 HydrophobicContact CB-CG 4.23Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 2.87Å; L320-L324 HydrophobicContact CB-CB 4.49Å; L320-L324 HydrophobicContact CB-CD2 4.21Å; L320-L324 HydrophobicContact CB-CG 4.41Å; L320-L324 HydrophobicContact CD2-CD2 3.61Å; L320-L324 HydrophobicContact CD2-CG 4.23Å; L320-L324 WeakPolarHBondContact O-CB 3.02Å; L320-L328 HydrophobicContact CD1-CD1 4.22Å; L320-L328 HydrophobicContact CD2-CD1 4.15Å; L320-Y368 HydrophobicContact CD2-CE1 4.5Å; L320-P441 HydrophobicContact CD2-CG 4.14Å; L320-L442 HydrophobicContact CD2-CD1 4.26Å; L320-L442 HydrophobicContact CD2-CD2 3.95Å; L320-L442 HydrophobicContact CD2-CG 4.13Å; L320-L442 HydrophobicContact CG-CD2 4.1Å
321	G	87	Confident	86.1	Confident	26 Å²	26	70.9 Å²	70.9	27%	0.268	37%	0.369	S	S	.	.			trans	76.8	156.6	-169.7	0	0	0	0	0	112.7	K317 K319 L324 W325	K317-G321 PolarHBondContact O-N 2.77Å; K319-G321 VanDerWaalsContact C-N 3.29Å; K319-G321 PolarHBondContact O-N 2.66Å; G321-L324 PolarHBondContact O-N 2.84Å; G321-W325 VanDerWaalsContact O-CB 3.29Å; G321-W325 WeakPolarHBondContact O-CB 3.28Å; G321-W325 PolarHBondContact O-N 3.15Å
322	T	86.4	Confident	85.3	Confident	76 Å²	76	64.2 Å²	64.2	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-56.6	-47.5	-174.2	-55.2	0	0	0	0	113.8	L324 W325 F326	T322-L324 PolarHBondContact O-N 3.17Å; T322-W325 PolarHBondContact O-N 3.36Å; T322-F326 HydrophobicContact CG2-CD2 3.58Å; T322-F326 HydrophobicContact CG2-CE2 3.43Å; T322-F326 VanDerWaalsContact CG2-CE2 3.43Å; T322-F326 WeakPolarHBondContact O-CD2 3.22Å; T322-F326 PolarHBondContact O-N 2.86Å
323	P	88.1	Confident	84.6	Confident	107 Å²	107	62.5 Å²	62.5	70%	0.695	34%	0.335	S	S	*	.	H	α-helix	trans	-64.7	-43.8	-176.6	-21.5	34.1	0	0	0	113.1	F326 L327	P323-F326 PolarHBondContact O-N 2.63Å; P323-L327 PolarHBondContact O-N 2.72Å
324	L	86.6	Confident	84.2	Confident	37 Å²	37	63 Å²	63	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-42.6	179.7	-177.7	58.9	0	0	0	110.6	L320 G321 T322 F326 L327 L328 Y368	L320-L324 HydrophobicContact CB-CB 4.49Å; L320-L324 HydrophobicContact CB-CD2 4.21Å; L320-L324 HydrophobicContact CB-CG 4.41Å; L320-L324 HydrophobicContact CD2-CD2 3.61Å; L320-L324 HydrophobicContact CD2-CG 4.23Å; L320-L324 WeakPolarHBondContact O-CB 3.02Å; G321-L324 PolarHBondContact O-N 2.84Å; T322-L324 PolarHBondContact O-N 3.17Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 PolarHBondContact O-N 2.79Å; L324-L327 HydrophobicContact CD1-CD2 4.49Å; L324-L327 WeakPolarHBondContact O-CB 3.09Å; L324-L327 PolarHBondContact O-N 2.74Å; L324-L328 HydrophobicContact CD1-CD1 4.04Å; L324-L328 HydrophobicContact CD1-CD2 4.23Å; L324-L328 HydrophobicContact CD1-CG 3.98Å; L324-L328 HydrophobicContact CG-CD1 3.9Å; L324-L328 HydrophobicContact CG-CG 4.22Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.38Å; L324-L328 PolarHBondContact O-N 3.32Å; L324-Y368 HydrophobicContact CD1-CD2 3.86Å; L324-Y368 HydrophobicContact CD1-CE2 3.77Å; L324-Y368 HydrophobicContact CD2-CE2 3.65Å; L324-Y368 HydrophobicContact CG-CE2 4.29Å
325	W	88.1	Confident	83.8	Confident	32 Å²	32	57.9 Å²	57.9	12%	0.121	32%	0.315	C	S	.	.	H	α-helix	trans	-55.4	-46.2	174.3	178.7	85.8	0	0	0	112.1	L313 K317 G321 T322 L327 L328 N329	L313-W325 PolarHBondContact O-NE1 3.3Å; K317-W325 HydrophobicContact CB-CG 4.29Å; K317-W325 HydrophobicContact CD-CD2 4.21Å; K317-W325 HydrophobicContact CD-CG 4.42Å; K317-W325 HydrophobicContact CG-CB 4.31Å; K317-W325 HydrophobicContact CG-CD2 4.2Å; K317-W325 HydrophobicContact CG-CG 3.88Å; G321-W325 VanDerWaalsContact O-CB 3.29Å; G321-W325 WeakPolarHBondContact O-CB 3.28Å; G321-W325 PolarHBondContact O-N 3.15Å; T322-W325 PolarHBondContact O-N 3.36Å; W325-L327 VanDerWaalsContact C-N 3.26Å; W325-L327 PolarHBondContact O-N 2.79Å; W325-L328 PolarHBondContact O-N 3.28Å; W325-N329 WeakPolarHBondContact CH2-ND2 3.13Å; W325-N329 VanDerWaalsContact CZ2-ND2 3.27Å; W325-N329 WeakPolarHBondContact CZ2-ND2 3.45Å; W325-N329 VanDerWaalsContact O-CB 3.24Å; W325-N329 WeakPolarHBondContact O-CB 3.46Å; W325-N329 PolarHBondContact O-N 3.27Å
326	F	86.4	Confident	83.7	Confident	125 Å²	125	53.9 Å²	53.9	55%	0.548	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-30.8	176.7	-89.2	-66.3	0	0	0	113.7	T322 P323 L324	T322-F326 HydrophobicContact CG2-CD2 3.58Å; T322-F326 HydrophobicContact CG2-CE2 3.43Å; T322-F326 VanDerWaalsContact CG2-CE2 3.43Å; T322-F326 WeakPolarHBondContact O-CD2 3.22Å; T322-F326 PolarHBondContact O-N 2.86Å; P323-F326 PolarHBondContact O-N 2.63Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 PolarHBondContact O-N 2.79Å
327	L	86.8	Confident	83.6	Confident	106 Å²	106	55.3 Å²	55.3	56%	0.555	29%	0.292	S	S	*	.	H	α-helix	trans	-74.9	-40.7	177.1	180	64.7	0	0	0	112.1	P323 L324 W325 N364	P323-L327 PolarHBondContact O-N 2.72Å; L324-L327 HydrophobicContact CD1-CD2 4.49Å; L324-L327 WeakPolarHBondContact O-CB 3.09Å; L324-L327 PolarHBondContact O-N 2.74Å; W325-L327 VanDerWaalsContact C-N 3.26Å; W325-L327 PolarHBondContact O-N 2.79Å; L327-N364 PolarHBondContact O-ND2 3.36Å
328	L	87	Confident	83.7	Confident	3 Å²	3	52 Å²	52	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-79.9	-30.5	-176.5	-59.9	-177.1	0	0	0	112.6	L313 L320 L324 W325 L365 Y368	L313-L328 HydrophobicContact CD1-CB 4.32Å; L313-L328 HydrophobicContact CD2-CB 4.25Å; L320-L328 HydrophobicContact CD1-CD1 4.22Å; L320-L328 HydrophobicContact CD2-CD1 4.15Å; L324-L328 HydrophobicContact CD1-CD1 4.04Å; L324-L328 HydrophobicContact CD1-CD2 4.23Å; L324-L328 HydrophobicContact CD1-CG 3.98Å; L324-L328 HydrophobicContact CG-CD1 3.9Å; L324-L328 HydrophobicContact CG-CG 4.22Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.38Å; L324-L328 PolarHBondContact O-N 3.32Å; W325-L328 PolarHBondContact O-N 3.28Å; L328-L365 HydrophobicContact CD1-CD1 4.21Å; L328-Y368 HydrophobicContact CD1-CD1 4.07Å; L328-Y368 HydrophobicContact CD1-CE1 4.38Å; L328-Y368 HydrophobicContact CD1-CG 4.22Å; L328-Y368 VanDerWaalsContact CD2-CB 3.5Å; L328-Y368 HydrophobicContact CD2-CD1 4.4Å; L328-Y368 HydrophobicContact CD2-CD2 4.33Å; L328-Y368 HydrophobicContact CD2-CG 3.85Å
329	N	84.2	Confident	83.8	Confident	32 Å²	32	47.4 Å²	47.4	17%	0.171	25%	0.245	C	C	.	.	S	Bend	trans	-68.3	126.1	-177.4	-165.3	13.8	0	0	0	111.3	L313 W325 K331	L313-N329 HydrophobicContact CD1-CB 4.3Å; W325-N329 WeakPolarHBondContact CH2-ND2 3.13Å; W325-N329 VanDerWaalsContact CZ2-ND2 3.27Å; W325-N329 WeakPolarHBondContact CZ2-ND2 3.45Å; W325-N329 VanDerWaalsContact O-CB 3.24Å; W325-N329 WeakPolarHBondContact O-CB 3.46Å; W325-N329 PolarHBondContact O-N 3.27Å; N329-K331 PolarHBondContact O-N 3.27Å
330	P	76.6	Confident	83.9	Confident	15 Å²	15	43.6 Å²	43.6	10%	0.097	23%	0.228	C	C	.	.			trans	-62.9	122.5	-179.5	21.6	-35.6	0	0	0	113.7	T309 L361	T309-P330 HydrophobicContact CG2-CG 4.03Å; P330-L361 HydrophobicContact CB-CD1 3.27Å; P330-L361 HydrophobicContact CB-CG 3.8Å; P330-L361 HydrophobicContact CG-CD1 3.47Å; P330-L361 VanDerWaalsContact CG-CD1 3.47Å; P330-L361 HydrophobicContact CG-CG 3.84Å
331	K	74.8	Confident	84.2	Confident	187 Å²	187	44.8 Å²	44.8	81%	0.813	23%	0.234	S	C	*	.	S	Bend	trans	-78.9	-49.1	172.4	-59.7	-177.2	-177.6	-176.9	0	111.5	N329	N329-K331 PolarHBondContact O-N 3.27Å
332	S	71	Confident	84.4	Confident	26 Å²	26	43.5 Å²	43.5	18%	0.182	22%	0.222	C	C	.	.			trans	-104.2	159.4	177.7	56.7	0	0	0	0	111.6
333	C	73.8	Confident	84.6	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.068	21%	0.206	C	C	.	.			trans	-120.3	60.4	175.9	-164.5	0	0	0	0	109.8	L302 K306	L302-C333 PolarHBondContact O-SG 2.93Å; K306-C333 HydrophobicContact CD-CB 4.12Å
334	N	78.5	Confident	84.6	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.059	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-92.8	123.2	-178.9	-64.6	-20.3	0	0	0	108.6	S705	N334-S705 PolarHBondContact ND2-OG 2.87Å
335	P	79.6	Confident	84.5	Confident	12 Å²	12	39 Å²	39	8%	0.078	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64.9	153.7	173.4	24.6	-30.4	0	0	0	110.6	L302 I461 L466	L302-P335 HydrophobicContact CD1-CB 4.41Å; L302-P335 HydrophobicContact CD1-CG 4.17Å; L302-P335 HydrophobicContact CD2-CB 4.04Å; P335-I461 HydrophobicContact CB-CD1 4.17Å; P335-I461 HydrophobicContact CB-CG1 3.93Å; P335-I461 HydrophobicContact CG-CD1 3.27Å; P335-I461 HydrophobicContact CG-CG1 3.59Å; P335-L466 HydrophobicContact CB-CD1 3.93Å
336	C	86.6	Confident	84.3	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.034	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	160.9	175.4	-53.4	0	0	0	0	110.2	V355 D356 S360 L459 F460 I461	C336-V355 HydrophobicContact CB-CG1 3.35Å; C336-D356 VanDerWaalsContact CA-O 3.31Å; C336-D356 WeakPolarHBondContact CA-O 3.39Å; C336-D356 VanDerWaalsContact CB-O 3.26Å; C336-D356 WeakPolarHBondContact CB-O 3.29Å; C336-S360 WeakPolarHBondContact SG-CB 3Å; C336-L459 WeakPolarHBondContact CB-O 3.38Å; C336-L459 PolarHBondContact N-O 2.94Å; C336-L459 PolarHBondContact SG-O 3.18Å; C336-L459 VanDerWaalsContact SG-O 3.34Å; C336-F460 HydrophobicContact CB-CB 3.92Å; C336-F460 CarbonylContact O-C 3.55Å; C336-F460 WeakPolarHBondContact O-CA 2.89Å; C336-F460 WeakPolarHBondContact O-CB 2.85Å; C336-I461 PolarHBondContact O-N 3.22Å
337	R	87.7	Confident	84	Confident	40 Å²	40	44.6 Å²	44.6	15%	0.151	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.1	179.2	-57.1	-175.8	-159.8	94.4	-6.1	111.3	D356 K695 D696	R337-D356 HydrophobicContact CB-CB 4.18Å; R337-D356 PolarHBondContact N-O 3.2Å; R337-D356 VanDerWaalsContact N-O 3.16Å; R337-D356 IonicContact NH1-OD2 3.91Å; R337-D356 PolarHBondContact NH1-OD2 2.78Å; R337-D356 VanDerWaalsContact NH1-OD2 3.15Å; R337-D356 VanDerWaalsContact O-CB 3.3Å; R337-D356 WeakPolarHBondContact O-CB 3.43Å; R337-D356 PolarHBondContact O-N 2.77Å; R337-K695 HydrophobicContact CB-CB 4.22Å; R337-K695 HydrophobicContact CB-CG 4.27Å; R337-D696 WeakPolarHBondContact CD-O 3.48Å
338	F	89.3	Confident	83.8	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137	179.5	-178.6	-102.6	0	0	0	112	L285 R340 P353 V355 F460 I461 F462	L285-F338 HydrophobicContact CD1-CE1 4.27Å; L285-F338 HydrophobicContact CD2-CE1 4.05Å; L285-F338 HydrophobicContact CD2-CE2 4.35Å; L285-F338 HydrophobicContact CD2-CZ 3.87Å; L285-F338 HydrophobicContact CG-CE1 4.3Å; L285-F338 HydrophobicContact CG-CZ 4.48Å; F338-R340 HydrophobicContact CE1-CG 3.74Å; F338-R340 HydrophobicContact CZ-CG 3.88Å; F338-P353 HydrophobicContact CE2-CB 3.53Å; F338-P353 HydrophobicContact CZ-CB 3.79Å; F338-V355 HydrophobicContact CD2-CG2 3.88Å; F338-F460 HydrophobicContact CB-CB 4.33Å; F338-F460 HydrophobicContact CB-CD2 3.35Å; F338-F460 HydrophobicContact CB-CE2 3.81Å; F338-F460 HydrophobicContact CB-CG 4.03Å; F338-F460 HydrophobicContact CD1-CE2 4.42Å; F338-F460 HydrophobicContact CD2-CD2 4.07Å; F338-F460 AromaticContact CD2-CE2 3.81Å; F338-F460 HydrophobicContact CD2-CE2 3.81Å; F338-F460 HydrophobicContact CD2-CZ 4.15Å; F338-F460 HydrophobicContact CE2-CE2 4.39Å; F338-F460 HydrophobicContact CE2-CZ 4.45Å; F338-F460 AromaticContact CG-CD2 3.88Å; F338-F460 HydrophobicContact CG-CD2 3.88Å; F338-F460 AromaticContact CG-CE2 3.79Å; F338-F460 HydrophobicContact CG-CE2 3.79Å; F338-I461 PolarHBondContact N-O 3.3Å; F338-F462 HydrophobicContact CB-CB 4.18Å; F338-F462 HydrophobicContact CD1-CB 4.01Å; F338-F462 AromaticContact CD1-CD2 3.67Å; F338-F462 HydrophobicContact CD1-CD2 3.67Å; F338-F462 HydrophobicContact CD1-CE2 4.34Å; F338-F462 AromaticContact CD1-CG 3.89Å; F338-F462 HydrophobicContact CD1-CG 3.89Å; F338-F462 HydrophobicContact CE1-CD2 4.43Å
339	Y	88.5	Confident	83.7	Confident	45 Å²	45	45 Å²	45	18%	0.176	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	176.9	170.1	67.4	-92.8	0	0	0	110.3	L341 V354 D356 V694 K695	Y339-L341 HydrophobicContact CE2-CD2 4.43Å; Y339-V354 HydrophobicContact CD1-CB 4.44Å; Y339-V354 HydrophobicContact CD2-CB 4.06Å; Y339-V354 HydrophobicContact CE1-CB 4.09Å; Y339-V354 HydrophobicContact CE1-CG1 3.84Å; Y339-V354 HydrophobicContact CE2-CB 3.66Å; Y339-V354 HydrophobicContact CE2-CG1 3.94Å; Y339-V354 HydrophobicContact CE2-CG2 4.04Å; Y339-V354 HydrophobicContact CG-CB 4.44Å; Y339-V354 VanDerWaalsContact CZ-CG1 3.45Å; Y339-V354 PolarHBondContact N-O 2.79Å; Y339-V354 PolarHBondContact O-N 3.27Å; Y339-V354 WeakPolarHBondContact OH-CG1 3.4Å; Y339-D356 HydrophobicContact CE1-CB 4.17Å; Y339-V694 WeakPolarHBondContact CB-O 3.25Å; Y339-V694 HydrophobicContact CD1-CG1 3.52Å; Y339-V694 HydrophobicContact CD2-CG1 3.15Å; Y339-V694 HydrophobicContact CE1-CG1 4.03Å; Y339-V694 HydrophobicContact CE2-CG1 3.73Å; Y339-V694 HydrophobicContact CG-CG1 3.02Å; Y339-K695 HydrophobicContact CD1-CG 4.27Å
340	R	89.1	Confident	83.9	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.011	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.5	-176.5	-48	-163.6	170.9	173.4	6.4	115	R261 F277 K280 A281 H284 F338 L351 R352	R261-R340 WeakPolarHBondContact CD-O 3.35Å; R261-R340 PolarHBondContact NH1-O 2.92Å; F277-R340 HydrophobicContact CE2-CB 4.33Å; F277-R340 HydrophobicContact CZ-CB 3.97Å; F277-R340 HydrophobicContact CZ-CG 4.46Å; K280-R340 PolarHBondContact O-NH1 2.81Å; A281-R340 VanDerWaalsContact CA-CZ 3.45Å; A281-R340 VanDerWaalsContact CA-NH1 3.32Å; A281-R340 VanDerWaalsContact O-CZ 3.28Å; A281-R340 PolarHBondContact O-NH2 3.47Å; H284-R340 VanDerWaalsContact CB-NH2 3.33Å; H284-R340 VanDerWaalsContact CD2-CZ 3.41Å; H284-R340 PolarHBondContact CD2-NH2 3.06Å; F338-R340 HydrophobicContact CE1-CG 3.74Å; F338-R340 HydrophobicContact CZ-CG 3.88Å; R340-L351 HydrophobicContact CB-CB 3.76Å; R340-L351 HydrophobicContact CB-CD1 4.37Å; R340-L351 HydrophobicContact CG-CB 4.24Å; R340-R352 CarbonylContact C-O 3.59Å; R340-R352 WeakPolarHBondContact CA-O 3.24Å; R340-R352 WeakPolarHBondContact CB-O 3.36Å
341	L	91.7	Very high	84.5	Confident	39 Å²	39	45 Å²	45	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	176.4	-58.2	176.5	0	0	0	110.3	D264 Y339 K343 L351 R352	D264-L341 HydrophobicContact CB-CB 4.17Å; Y339-L341 HydrophobicContact CE2-CD2 4.43Å; L341-K343 PolarHBondContact O-N 3.16Å; L341-L351 CarbonylContact O-C 3.59Å; L341-L351 WeakPolarHBondContact O-CA 3.43Å; L341-R352 HydrophobicContact CB-CB 4.41Å; L341-R352 PolarHBondContact N-O 2.8Å; L341-R352 PolarHBondContact O-N 3.5Å
342	P	92.5	Very high	85.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126	179.2	25.1	-30.8	0	0	0	112	R261 D264 V270 M272 I344 I349 L351	R261-P342 HydrophobicContact CB-CG 4.49Å; D264-P342 WeakPolarHBondContact CB-O 3.34Å; D264-P342 PolarHBondContact N-O 2.67Å; V270-P342 HydrophobicContact CB-CG 3.8Å; V270-P342 HydrophobicContact CG1-CB 4.3Å; V270-P342 HydrophobicContact CG1-CG 3.96Å; V270-P342 HydrophobicContact CG2-CG 3.84Å; M272-P342 HydrophobicContact SD-CB 4.12Å; P342-I344 HydrophobicContact CB-CG2 4.38Å; P342-I344 PolarHBondContact O-N 2.93Å; P342-I349 HydrophobicContact CB-CG2 4.36Å; P342-L351 HydrophobicContact CB-CD2 3.95Å
343	K	90.5	Very high	86.1	Confident	34 Å²	34	39 Å²	39	15%	0.148	20%	0.199	C	C	.	.			trans	-87.7	75.1	174.1	-61.6	-176.2	-179.8	179.3	0	109.9	D264 L341 H345 K346 S350 R352	D264-K343 HydrophobicContact CB-CG 4.06Å; L341-K343 PolarHBondContact O-N 3.16Å; K343-H345 PolarHBondContact O-N 2.89Å; K343-K346 HydrophobicContact CB-CG 4.45Å; K343-K346 HydrophobicContact CD-CD 4.31Å; K343-K346 PolarHBondContact O-N 3.16Å; K343-K346 VanDerWaalsContact O-N 3.09Å; K343-S350 VanDerWaalsContact CB-O 3.25Å; K343-S350 WeakPolarHBondContact CB-O 3.49Å; K343-S350 PolarHBondContact N-O 3.47Å; K343-R352 HydrophobicContact CG-CB 4.32Å
344	I	88	Confident	86.7	Confident	30 Å²	30	39.9 Å²	39.9	15%	0.154	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-4.4	-178.9	63.3	170.3	0	0	0	115.5	V171 A263 T268 V270 P342 I349	V171-I344 HydrophobicContact CG2-CD1 4.26Å; A263-I344 HydrophobicContact CB-CD1 3.75Å; A263-I344 HydrophobicContact CB-CG1 4.02Å; A263-I344 HydrophobicContact CB-CG2 4.48Å; T268-I344 HydrophobicContact CG2-CD1 3.72Å; V270-I344 HydrophobicContact CG1-CG2 4.3Å; V270-I344 HydrophobicContact CG2-CG2 3.62Å; P342-I344 HydrophobicContact CB-CG2 4.38Å; P342-I344 PolarHBondContact O-N 2.93Å; I344-I349 HydrophobicContact CG2-CG2 4.36Å
345	H	84.2	Confident	87.1	Confident	60 Å²	60	39.7 Å²	39.7	28%	0.278	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.4	177.1	61.3	-80.2	0	0	0	112.5	D264 K265 K343 T574	D264-H345 IonicContact OD2-CE1 2.75Å; K265-H345 PolarHBondContact NZ-NE2 3.4Å; K343-H345 PolarHBondContact O-N 2.89Å; H345-T574 HydrophobicContact CB-CG2 3.84Å
346	K	84.2	Confident	87.5	Confident	101 Å²	101	40 Å²	40	44%	0.439	20%	0.204	S	C	.	.	S	Bend	trans	-111	140.8	171.5	-63.8	-163	172.1	-154.4	0	108.2	K343 S348 I349	K343-K346 HydrophobicContact CB-CG 4.45Å; K343-K346 HydrophobicContact CD-CD 4.31Å; K343-K346 PolarHBondContact O-N 3.16Å; K343-K346 VanDerWaalsContact O-N 3.09Å; K346-S348 VanDerWaalsContact C-N 3.29Å; K346-S348 PolarHBondContact O-N 2.86Å; K346-I349 WeakPolarHBondContact O-CA 3.29Å; K346-I349 PolarHBondContact O-N 3.41Å
347	D	79.4	Confident	87.4	Confident	174 Å²	174	40 Å²	40	93%	0.93	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-37.3	-175.4	-56.5	-40.2	0	0	0	112.6	I349	D347-I349 PolarHBondContact O-N 3.42Å
348	S	82.6	Confident	87	Confident	83 Å²	83	40.9 Å²	40.9	58%	0.58	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.5	175.1	61.4	0	0	0	0	114.1	K280 K346 S350	K280-S348 PolarHBondContact NZ-O 2.61Å; K346-S348 VanDerWaalsContact C-N 3.29Å; K346-S348 PolarHBondContact O-N 2.86Å; S348-S350 VanDerWaalsContact C-N 3.26Å; S348-S350 PolarHBondContact O-N 3.16Å
349	I	84	Confident	86.3	Confident	36 Å²	36	44.9 Å²	44.9	19%	0.185	24%	0.235	C	C	.	.			trans	45.8	54.8	-173	-47.4	176.8	0	0	0	109.8	L173 K280 P342 I344 K346 D347	L173-I349 HydrophobicContact CD1-CD1 3.59Å; L173-I349 HydrophobicContact CD1-CG2 3.85Å; L173-I349 HydrophobicContact CD2-CD1 3.74Å; L173-I349 HydrophobicContact CG-CD1 4.32Å; K280-I349 PolarHBondContact NZ-O 2.93Å; P342-I349 HydrophobicContact CB-CG2 4.36Å; I344-I349 HydrophobicContact CG2-CG2 4.36Å; K346-I349 WeakPolarHBondContact O-CA 3.29Å; K346-I349 PolarHBondContact O-N 3.41Å; D347-I349 PolarHBondContact O-N 3.42Å
350	S	89.1	Confident	86.1	Confident	38 Å²	38	43.3 Å²	43.3	27%	0.266	23%	0.231	S	C	.	.			trans	-63.5	160.3	176	53.8	0	0	0	0	111.1	K343 S348	K343-S350 VanDerWaalsContact CB-O 3.25Å; K343-S350 WeakPolarHBondContact CB-O 3.49Å; K343-S350 PolarHBondContact N-O 3.47Å; S348-S350 VanDerWaalsContact C-N 3.26Å; S348-S350 PolarHBondContact O-N 3.16Å
351	L	90.1	Very high	85.8	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.5	-176.3	-59.5	-178.6	0	0	0	110	M272 F277 K280 R340 L341 P342 P353	M272-L351 HydrophobicContact SD-CD2 4.38Å; F277-L351 HydrophobicContact CD2-CD1 3.86Å; F277-L351 HydrophobicContact CD2-CD2 4.17Å; F277-L351 HydrophobicContact CE2-CD1 3.63Å; F277-L351 HydrophobicContact CE2-CD2 3.94Å; F277-L351 HydrophobicContact CE2-CG 4.41Å; F277-L351 HydrophobicContact CZ-CD1 4.1Å; K280-L351 HydrophobicContact CB-CD1 3.73Å; K280-L351 HydrophobicContact CB-CG 4.28Å; R340-L351 HydrophobicContact CB-CB 3.76Å; R340-L351 HydrophobicContact CB-CD1 4.37Å; R340-L351 HydrophobicContact CG-CB 4.24Å; L341-L351 CarbonylContact O-C 3.59Å; L341-L351 WeakPolarHBondContact O-CA 3.43Å; P342-L351 HydrophobicContact CB-CD2 3.95Å; L351-P353 WeakPolarHBondContact O-CD 3.22Å
352	R	90.2	Very high	85.5	Confident	72 Å²	72	42 Å²	42	27%	0.272	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.7	172.9	-177.5	170.7	-83.1	160.2	-14.4	109.8	D264 R340 L341 K343	D264-R352 VanDerWaalsContact OD1-CD 3.23Å; D264-R352 WeakPolarHBondContact OD1-CD 3.4Å; D264-R352 IonicContact OD1-CZ 2.62Å; D264-R352 IonicContact OD1-NE 3.85Å; D264-R352 PolarHBondContact OD1-NE 3.47Å; D264-R352 IonicContact OD1-NH1 2.79Å; D264-R352 PolarHBondContact OD1-NH1 3.25Å; D264-R352 IonicContact OD2-CZ 2.82Å; D264-R352 VanDerWaalsContact OD2-CZ 3.31Å; D264-R352 IonicContact OD2-NE 3.04Å; D264-R352 IonicContact OD2-NH1 3.75Å; D264-R352 PolarHBondContact OD2-NH1 2.86Å; D264-R352 IonicContact OD2-NH2 2.62Å; R340-R352 CarbonylContact C-O 3.59Å; R340-R352 WeakPolarHBondContact CA-O 3.24Å; R340-R352 WeakPolarHBondContact CB-O 3.36Å; L341-R352 HydrophobicContact CB-CB 4.41Å; L341-R352 PolarHBondContact N-O 2.8Å; L341-R352 PolarHBondContact O-N 3.5Å; K343-R352 HydrophobicContact CG-CB 4.32Å
353	P	87.6	Confident	85.3	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.9	175.7	30.2	-35.6	0	0	0	111.3	F338 L351	F338-P353 HydrophobicContact CE2-CB 3.53Å; F338-P353 HydrophobicContact CZ-CB 3.79Å; L351-P353 WeakPolarHBondContact O-CD 3.22Å
354	V	87.4	Confident	85.3	Confident	28 Å²	28	46.9 Å²	46.9	17%	0.17	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	128.3	171.6	-174.6	0	0	0	0	108.8	Y339	Y339-V354 HydrophobicContact CD1-CB 4.44Å; Y339-V354 HydrophobicContact CD2-CB 4.06Å; Y339-V354 HydrophobicContact CE1-CB 4.09Å; Y339-V354 HydrophobicContact CE1-CG1 3.84Å; Y339-V354 HydrophobicContact CE2-CB 3.66Å; Y339-V354 HydrophobicContact CE2-CG1 3.94Å; Y339-V354 HydrophobicContact CE2-CG2 4.04Å; Y339-V354 HydrophobicContact CG-CB 4.44Å; Y339-V354 VanDerWaalsContact CZ-CG1 3.45Å; Y339-V354 PolarHBondContact N-O 2.79Å; Y339-V354 PolarHBondContact O-N 3.27Å; Y339-V354 WeakPolarHBondContact OH-CG1 3.4Å
355	V	87.7	Confident	85.4	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.4	175	180	0	0	0	0	108.4	C336 F338 F357 F460 G476	C336-V355 HydrophobicContact CB-CG1 3.35Å; F338-V355 HydrophobicContact CD2-CG2 3.88Å; V355-F357 HydrophobicContact CB-CD2 4.14Å; V355-F357 HydrophobicContact CB-CE2 3.76Å; V355-F357 HydrophobicContact CG1-CD2 3.72Å; V355-F357 HydrophobicContact CG1-CE2 3.4Å; V355-F357 VanDerWaalsContact CG1-CE2 3.4Å; V355-F357 HydrophobicContact CG1-CZ 4.24Å; V355-F357 PolarHBondContact O-N 3.1Å; V355-F460 HydrophobicContact CG1-CB 3.91Å; V355-F460 HydrophobicContact CG1-CD1 4.35Å; V355-F460 HydrophobicContact CG1-CG 4.43Å; V355-F460 HydrophobicContact CG2-CD1 3.81Å; V355-F460 HydrophobicContact CG2-CE1 4.2Å; V355-F460 HydrophobicContact CG2-CG 4.22Å; V355-G476 WeakPolarHBondContact O-CA 3.38Å
356	D	86.6	Confident	85.8	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	103.3	176.8	178.3	53.2	0	0	0	111	C336 R337 Y339 T358 K695	C336-D356 VanDerWaalsContact CA-O 3.31Å; C336-D356 WeakPolarHBondContact CA-O 3.39Å; C336-D356 VanDerWaalsContact CB-O 3.26Å; C336-D356 WeakPolarHBondContact CB-O 3.29Å; R337-D356 HydrophobicContact CB-CB 4.18Å; R337-D356 PolarHBondContact N-O 3.2Å; R337-D356 VanDerWaalsContact N-O 3.16Å; R337-D356 IonicContact NH1-OD2 3.91Å; R337-D356 PolarHBondContact NH1-OD2 2.78Å; R337-D356 VanDerWaalsContact NH1-OD2 3.15Å; R337-D356 VanDerWaalsContact O-CB 3.3Å; R337-D356 WeakPolarHBondContact O-CB 3.43Å; R337-D356 PolarHBondContact O-N 2.77Å; Y339-D356 HydrophobicContact CE1-CB 4.17Å; D356-T358 VanDerWaalsContact C-N 3.29Å; D356-T358 VanDerWaalsContact CG-OG1 3.31Å; D356-T358 PolarHBondContact O-N 2.87Å; D356-T358 WeakPolarHBondContact OD1-CG2 3.4Å; D356-T358 PolarHBondContact OD1-OG1 3.31Å; D356-T358 PolarHBondContact OD2-OG1 3.1Å; D356-K695 HydrophobicContact CB-CD 4.35Å; D356-K695 IonicContact OD1-NZ 3.4Å; D356-K695 PolarHBondContact OD1-NZ 3.2Å; D356-K695 VanDerWaalsContact OD2-CD 3.28Å; D356-K695 WeakPolarHBondContact OD2-CD 3.48Å; D356-K695 WeakPolarHBondContact OD2-CE 3.47Å; D356-K695 IonicContact OD2-NZ 3.08Å; D356-K695 PolarHBondContact OD2-NZ 2.95Å
357	F	84.5	Confident	86.2	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.022	23%	0.232	C	C	.	.			trans	-82.9	2.3	-180	-83.4	-105.9	0	0	0	114.1	V355 N359 S360 Y363 T458 A474 G476	V355-F357 HydrophobicContact CB-CD2 4.14Å; V355-F357 HydrophobicContact CB-CE2 3.76Å; V355-F357 HydrophobicContact CG1-CD2 3.72Å; V355-F357 HydrophobicContact CG1-CE2 3.4Å; V355-F357 VanDerWaalsContact CG1-CE2 3.4Å; V355-F357 HydrophobicContact CG1-CZ 4.24Å; V355-F357 PolarHBondContact O-N 3.1Å; F357-N359 PolarHBondContact O-N 3.43Å; F357-S360 WeakPolarHBondContact O-CB 3.4Å; F357-S360 PolarHBondContact O-N 2.84Å; F357-S360 PolarHBondContact O-OG 3.31Å; F357-Y363 HydrophobicContact CB-CD2 4.04Å; F357-Y363 WeakPolarHBondContact O-CD2 3.33Å; F357-T458 HydrophobicContact CE2-CG2 4.37Å; F357-T458 HydrophobicContact CZ-CG2 3.72Å; F357-A474 HydrophobicContact CE2-CB 3.34Å; F357-A474 HydrophobicContact CZ-CB 3.29Å; F357-G476 WeakPolarHBondContact CB-O 3.49Å
358	T	79.8	Confident	86.9	Confident	59 Å²	59	36.2 Å²	36.2	36%	0.362	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	127.7	-179.9	59.6	0	0	0	0	110.7	D356 S360	D356-T358 VanDerWaalsContact C-N 3.29Å; D356-T358 VanDerWaalsContact CG-OG1 3.31Å; D356-T358 PolarHBondContact O-N 2.87Å; D356-T358 WeakPolarHBondContact OD1-CG2 3.4Å; D356-T358 PolarHBondContact OD1-OG1 3.31Å; D356-T358 PolarHBondContact OD2-OG1 3.1Å; T358-S360 PolarHBondContact O-N 2.94Å
359	N	75.5	Confident	87.5	Confident	87 Å²	87	32.3 Å²	32.3	47%	0.465	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	21.2	-176.8	-55.4	-5.5	0	0	0	114.4	F357	F357-N359 PolarHBondContact O-N 3.43Å
360	S	82.5	Confident	88	Confident	12 Å²	12	31.1 Å²	31.1	8%	0.084	16%	0.159	C	C	.	.			trans	-71.8	159.7	170.4	81.5	0	0	0	0	111.4	C336 F357 T358 T362 Y363	C336-S360 WeakPolarHBondContact SG-CB 3Å; F357-S360 WeakPolarHBondContact O-CB 3.4Å; F357-S360 PolarHBondContact O-N 2.84Å; F357-S360 PolarHBondContact O-OG 3.31Å; T358-S360 PolarHBondContact O-N 2.94Å; S360-T362 VanDerWaalsContact C-N 3.3Å; S360-T362 PolarHBondContact O-N 3.16Å; S360-Y363 WeakPolarHBondContact O-CB 3.45Å; S360-Y363 PolarHBondContact O-N 3.49Å; S360-Y363 PolarHBondContact OG-N 3.47Å
361	L	83.4	Confident	88.3	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.063	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-42.8	-176.8	-168.5	84.6	0	0	0	113.4	L305 K306 T309 P330	L305-L361 HydrophobicContact CB-CD2 4.12Å; L305-L361 HydrophobicContact CD2-CD2 3.62Å; L305-L361 HydrophobicContact CG-CD2 3.47Å; L305-L361 VanDerWaalsContact CG-CD2 3.47Å; L305-L361 WeakPolarHBondContact O-CD2 3.46Å; K306-L361 HydrophobicContact CB-CD1 3.81Å; K306-L361 HydrophobicContact CB-CD2 4.36Å; K306-L361 HydrophobicContact CD-CD1 4.43Å; K306-L361 HydrophobicContact CG-CD1 3.89Å; T309-L361 VanDerWaalsContact OG1-CD2 3.26Å; T309-L361 WeakPolarHBondContact OG1-CD2 3.18Å; P330-L361 HydrophobicContact CB-CD1 3.27Å; P330-L361 HydrophobicContact CB-CG 3.8Å; P330-L361 HydrophobicContact CG-CD1 3.47Å; P330-L361 VanDerWaalsContact CG-CD1 3.47Å; P330-L361 HydrophobicContact CG-CG 3.84Å
362	T	86.1	Confident	88.4	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.018	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.8	-176.5	52	0	0	0	0	113	S360 N364 L365 A366 L453 S457	S360-T362 VanDerWaalsContact C-N 3.3Å; S360-T362 PolarHBondContact O-N 3.16Å; T362-N364 PolarHBondContact O-N 2.86Å; T362-L365 PolarHBondContact O-N 3.29Å; T362-A366 VanDerWaalsContact O-CB 3.29Å; T362-A366 WeakPolarHBondContact O-CB 3.26Å; T362-A366 PolarHBondContact O-N 2.88Å; T362-L453 HydrophobicContact CG2-CD2 4.46Å; T362-L453 HydrophobicContact CG2-CG 4.37Å; T362-S457 VanDerWaalsContact CG2-OG 3.31Å; T362-S457 WeakPolarHBondContact CG2-OG 3.31Å; T362-S457 PolarHBondContact OG1-OG 2.98Å
363	Y	88.5	Confident	88.6	Confident	67 Å²	67	33 Å²	33	26%	0.263	16%	0.16	S	C	.	.	H	α-helix	trans	-58.9	-48.7	-174.3	-178.2	-101.8	0	0	0	113.3	F357 S360 A366 K367 P478	F357-Y363 HydrophobicContact CB-CD2 4.04Å; F357-Y363 WeakPolarHBondContact O-CD2 3.33Å; S360-Y363 WeakPolarHBondContact O-CB 3.45Å; S360-Y363 PolarHBondContact O-N 3.49Å; S360-Y363 PolarHBondContact OG-N 3.47Å; Y363-A366 PolarHBondContact O-N 2.83Å; Y363-K367 HydrophobicContact CE1-CD 4.48Å; Y363-K367 WeakPolarHBondContact O-CB 3.44Å; Y363-K367 PolarHBondContact O-N 3.4Å; Y363-P478 HydrophobicContact CD2-CG 3.79Å; Y363-P478 HydrophobicContact CE2-CG 3.48Å; Y363-P478 VanDerWaalsContact CE2-CG 3.48Å
364	N	89.4	Confident	88.9	Confident	69 Å²	69	37.9 Å²	37.9	37%	0.369	18%	0.179	S	C	.	.	H	α-helix	trans	-67.4	-39.4	-179.4	-72	-18.7	0	0	0	111.5	L327 T362 K367 Y368	L327-N364 PolarHBondContact O-ND2 3.36Å; T362-N364 PolarHBondContact O-N 2.86Å; N364-K367 PolarHBondContact O-N 3.16Å; N364-Y368 WeakPolarHBondContact O-CB 3.42Å; N364-Y368 PolarHBondContact O-N 2.8Å
365	L	90.6	Very high	89.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-51.8	174	-175.6	58.7	0	0	0	111.1	L313 L328 T362 K367 Y368 L369 C450 L453 C454	L313-L365 HydrophobicContact CD2-CD1 4.21Å; L328-L365 HydrophobicContact CD1-CD1 4.21Å; T362-L365 PolarHBondContact O-N 3.29Å; L365-K367 VanDerWaalsContact C-N 3.29Å; L365-K367 PolarHBondContact O-N 3.42Å; L365-Y368 WeakPolarHBondContact O-CB 3.34Å; L365-Y368 PolarHBondContact O-N 3.4Å; L365-L369 HydrophobicContact CD1-CD1 4.41Å; L365-L369 HydrophobicContact CD1-CG 4.28Å; L365-L369 HydrophobicContact CG-CD1 4.16Å; L365-L369 HydrophobicContact CG-CG 4.44Å; L365-L369 WeakPolarHBondContact O-CG 3.31Å; L365-L369 PolarHBondContact O-N 2.92Å; L365-C450 HydrophobicContact CD1-CB 4.32Å; L365-C450 HydrophobicContact CD2-CB 4.31Å; L365-L453 HydrophobicContact CD2-CD2 4.13Å; L365-C454 VanDerWaalsContact CG-SG 3.58Å
366	A	92.3	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-40.5	177	0	0	0	0	0	112	T362 Y363 A370 C454 P478 V479	T362-A366 VanDerWaalsContact O-CB 3.29Å; T362-A366 WeakPolarHBondContact O-CB 3.26Å; T362-A366 PolarHBondContact O-N 2.88Å; Y363-A366 PolarHBondContact O-N 2.83Å; A366-A370 WeakPolarHBondContact O-CB 3.25Å; A366-A370 PolarHBondContact O-N 2.93Å; A366-C454 HydrophobicContact CB-CB 4.37Å; A366-P478 HydrophobicContact CB-CG 4.4Å; A366-V479 HydrophobicContact CB-CB 4.32Å; A366-V479 HydrophobicContact CB-CG1 4.19Å
367	K	92.7	Very high	89.3	Confident	125 Å²	125	40 Å²	40	54%	0.543	19%	0.191	S	C	.	.	H	α-helix	trans	-64.3	-39.2	175.4	-173.6	178.8	179.6	-177.1	0	112.3	Y363 N364 L365 R371 P478	Y363-K367 HydrophobicContact CE1-CD 4.48Å; Y363-K367 WeakPolarHBondContact O-CB 3.44Å; Y363-K367 PolarHBondContact O-N 3.4Å; N364-K367 PolarHBondContact O-N 3.16Å; L365-K367 VanDerWaalsContact C-N 3.29Å; L365-K367 PolarHBondContact O-N 3.42Å; K367-R371 PolarHBondContact O-N 3.46Å; K367-R371 VanDerWaalsContact O-N 3.15Å; K367-P478 HydrophobicContact CB-CB 4.28Å; K367-P478 HydrophobicContact CB-CG 4.29Å
368	Y	93.4	Very high	89.4	Confident	15 Å²	15	48 Å²	48	6%	0.059	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-48.8	176.2	172	-98.4	0	0	0	111.8	L320 L324 L328 N364 L365 A370 R371 I372 P441	L320-Y368 HydrophobicContact CD2-CE1 4.5Å; L324-Y368 HydrophobicContact CD1-CD2 3.86Å; L324-Y368 HydrophobicContact CD1-CE2 3.77Å; L324-Y368 HydrophobicContact CD2-CE2 3.65Å; L324-Y368 HydrophobicContact CG-CE2 4.29Å; L328-Y368 HydrophobicContact CD1-CD1 4.07Å; L328-Y368 HydrophobicContact CD1-CE1 4.38Å; L328-Y368 HydrophobicContact CD1-CG 4.22Å; L328-Y368 VanDerWaalsContact CD2-CB 3.5Å; L328-Y368 HydrophobicContact CD2-CD1 4.4Å; L328-Y368 HydrophobicContact CD2-CD2 4.33Å; L328-Y368 HydrophobicContact CD2-CG 3.85Å; N364-Y368 WeakPolarHBondContact O-CB 3.42Å; N364-Y368 PolarHBondContact O-N 2.8Å; L365-Y368 WeakPolarHBondContact O-CB 3.34Å; L365-Y368 PolarHBondContact O-N 3.4Å; Y368-A370 VanDerWaalsContact C-N 3.33Å; Y368-A370 PolarHBondContact O-N 3.25Å; Y368-R371 VanDerWaalsContact CD2-NH2 3.31Å; Y368-R371 WeakPolarHBondContact O-CB 3.37Å; Y368-R371 PolarHBondContact O-N 3.32Å; Y368-I372 HydrophobicContact CD1-CD1 3.93Å; Y368-I372 HydrophobicContact CE1-CD1 3.32Å; Y368-I372 HydrophobicContact CE2-CD1 4.09Å; Y368-I372 VanDerWaalsContact CZ-CD1 3.41Å; Y368-I372 PolarHBondContact O-N 3.08Å; Y368-P441 VanDerWaalsContact OH-CD 3.27Å; Y368-P441 WeakPolarHBondContact OH-CD 3.29Å
369	L	94.8	Very high	89.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-41.9	176.5	-60.7	176.2	0	0	0	111.2	L365 R371 I372 L373 F447 C450 L451 V479	L365-L369 HydrophobicContact CD1-CD1 4.41Å; L365-L369 HydrophobicContact CD1-CG 4.28Å; L365-L369 HydrophobicContact CG-CD1 4.16Å; L365-L369 HydrophobicContact CG-CG 4.44Å; L365-L369 WeakPolarHBondContact O-CG 3.31Å; L365-L369 PolarHBondContact O-N 2.92Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 3.18Å; L369-I372 PolarHBondContact O-N 2.94Å; L369-L373 PolarHBondContact O-N 2.82Å; L369-F447 HydrophobicContact CB-CE2 4.32Å; L369-F447 HydrophobicContact CB-CZ 3.86Å; L369-F447 HydrophobicContact CD2-CD2 3.79Å; L369-F447 HydrophobicContact CD2-CE1 4.21Å; L369-F447 HydrophobicContact CD2-CE2 3.36Å; L369-F447 HydrophobicContact CD2-CG 4.36Å; L369-F447 HydrophobicContact CD2-CZ 3.59Å; L369-F447 HydrophobicContact CG-CE2 4.41Å; L369-F447 HydrophobicContact CG-CZ 4.26Å; L369-C450 HydrophobicContact CD1-CB 3.99Å; L369-C450 HydrophobicContact CD2-CB 4.12Å; L369-L451 HydrophobicContact CD1-CB 4.16Å; L369-L451 HydrophobicContact CD1-CD1 4.29Å; L369-V479 HydrophobicContact CB-CG2 4.34Å
370	A	95.1	Very high	90	Very high	11 Å²	11	46.8 Å²	46.8	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-39.3	175.9	0	0	0	0	0	112.3	A366 Y368 I372 L373 K374 P478 V479 I482	A366-A370 WeakPolarHBondContact O-CB 3.25Å; A366-A370 PolarHBondContact O-N 2.93Å; Y368-A370 VanDerWaalsContact C-N 3.33Å; Y368-A370 PolarHBondContact O-N 3.25Å; A370-I372 VanDerWaalsContact C-N 3.31Å; A370-I372 PolarHBondContact O-N 3.3Å; A370-L373 PolarHBondContact O-N 3.32Å; A370-K374 WeakPolarHBondContact O-CB 3.43Å; A370-K374 PolarHBondContact O-N 3.22Å; A370-P478 HydrophobicContact CB-CB 4.41Å; A370-P478 WeakPolarHBondContact CB-O 3.43Å; A370-V479 HydrophobicContact CB-CB 4.24Å; A370-V479 HydrophobicContact CB-CG2 4.33Å; A370-I482 HydrophobicContact CB-CD1 3.78Å; A370-I482 WeakPolarHBondContact O-CD1 3.4Å
371	R	94.8	Very high	90	Very high	155 Å²	155	53 Å²	53	59%	0.585	25%	0.247	S	C	*	.	H	α-helix	trans	-63.9	-37.3	176.3	-177.4	178.5	61.6	91	6.8	112	K367 Y368 L369	K367-R371 PolarHBondContact O-N 3.46Å; K367-R371 VanDerWaalsContact O-N 3.15Å; Y368-R371 VanDerWaalsContact CD2-NH2 3.31Å; Y368-R371 WeakPolarHBondContact O-CB 3.37Å; Y368-R371 PolarHBondContact O-N 3.32Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 3.18Å
372	I	93.9	Very high	90.1	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-73.2	-36.6	178	-66.8	163.2	0	0	0	111.3	Y368 L369 A370 P375 L436 R439 C440 F447	Y368-I372 HydrophobicContact CD1-CD1 3.93Å; Y368-I372 HydrophobicContact CE1-CD1 3.32Å; Y368-I372 HydrophobicContact CE2-CD1 4.09Å; Y368-I372 VanDerWaalsContact CZ-CD1 3.41Å; Y368-I372 PolarHBondContact O-N 3.08Å; L369-I372 PolarHBondContact O-N 2.94Å; A370-I372 VanDerWaalsContact C-N 3.31Å; A370-I372 PolarHBondContact O-N 3.3Å; I372-P375 VanDerWaalsContact O-CD 3.22Å; I372-P375 WeakPolarHBondContact O-CD 3.44Å; I372-L436 HydrophobicContact CG2-CD1 4.31Å; I372-R439 PolarHBondContact O-NH1 3.47Å; I372-C440 HydrophobicContact CD1-CB 3.9Å; I372-C440 HydrophobicContact CG1-CB 4.38Å; I372-C440 HydrophobicContact CG2-CB 4.09Å; I372-F447 HydrophobicContact CB-CE2 3.84Å; I372-F447 HydrophobicContact CB-CZ 4.33Å; I372-F447 HydrophobicContact CD1-CD2 4.49Å; I372-F447 HydrophobicContact CD1-CE2 3.86Å; I372-F447 HydrophobicContact CG1-CE2 4.48Å; I372-F447 HydrophobicContact CG2-CD2 4.38Å; I372-F447 HydrophobicContact CG2-CE2 3.62Å; I372-F447 HydrophobicContact CG2-CZ 4.22Å
373	L	94.6	Very high	90.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-79.6	-21.2	-180	-66.2	175.3	0	0	0	113.7	L369 A370 P375 Y376 I426 L430 F447 L451 V479 I482	L369-L373 PolarHBondContact O-N 2.82Å; A370-L373 PolarHBondContact O-N 3.32Å; L373-P375 VanDerWaalsContact C-N 3.31Å; L373-Y376 HydrophobicContact CB-CD2 4.28Å; L373-Y376 HydrophobicContact CD2-CD2 3.8Å; L373-Y376 HydrophobicContact CD2-CE2 3.84Å; L373-Y376 WeakPolarHBondContact O-CB 3.36Å; L373-Y376 VanDerWaalsContact O-CD2 3.31Å; L373-Y376 WeakPolarHBondContact O-CD2 3.38Å; L373-Y376 PolarHBondContact O-N 3.39Å; L373-I426 HydrophobicContact CD1-CD1 4.42Å; L373-I426 HydrophobicContact CD1-CG2 4.47Å; L373-I426 HydrophobicContact CD2-CG2 3.74Å; L373-L430 HydrophobicContact CD2-CD2 4.48Å; L373-F447 HydrophobicContact CD1-CE1 4.08Å; L373-F447 HydrophobicContact CD1-CZ 4.13Å; L373-F447 HydrophobicContact CD2-CE1 3.77Å; L373-F447 HydrophobicContact CD2-CZ 3.83Å; L373-F447 HydrophobicContact CG-CE1 3.97Å; L373-F447 HydrophobicContact CG-CZ 3.7Å; L373-L451 HydrophobicContact CD1-CD2 4.36Å; L373-V479 HydrophobicContact CD1-CG2 3.96Å; L373-I482 HydrophobicContact CB-CD1 4.48Å; L373-I482 HydrophobicContact CB-CG2 3.7Å
374	K	92.9	Very high	90.1	Very high	116 Å²	116	53.2 Å²	53.2	50%	0.504	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-51.4	-39.8	-175.4	-169.3	65.1	178.3	173.4	0	114.5	A370 Y376 E377 I482	A370-K374 WeakPolarHBondContact O-CB 3.43Å; A370-K374 PolarHBondContact O-N 3.22Å; K374-Y376 VanDerWaalsContact C-N 3.29Å; K374-Y376 PolarHBondContact O-N 3.11Å; K374-E377 VanDerWaalsContact CD-OE2 3.28Å; K374-E377 WeakPolarHBondContact CD-OE2 3.29Å; K374-E377 VanDerWaalsContact CE-OE2 3.25Å; K374-E377 WeakPolarHBondContact CE-OE2 3.49Å; K374-E377 IonicContact NZ-OE2 3.22Å; K374-E377 PolarHBondContact NZ-OE2 3.12Å; K374-E377 PolarHBondContact O-N 2.94Å; K374-I482 HydrophobicContact CB-CD1 4.41Å; K374-I482 HydrophobicContact CD-CD1 4.17Å
375	P	91.5	Very high	89.8	Confident	51 Å²	51	57.2 Å²	57.2	33%	0.331	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61.5	-31.3	176.7	-24.6	37	0	0	0	114.3	I372 L373 E377 K378	I372-P375 VanDerWaalsContact O-CD 3.22Å; I372-P375 WeakPolarHBondContact O-CD 3.44Å; L373-P375 VanDerWaalsContact C-N 3.31Å; P375-E377 PolarHBondContact O-N 3.39Å; P375-K378 VanDerWaalsContact O-CB 3.25Å; P375-K378 WeakPolarHBondContact O-CB 3.24Å; P375-K378 WeakPolarHBondContact O-CG 3.16Å; P375-K378 PolarHBondContact O-N 3.01Å
376	Y	90.5	Very high	89.4	Confident	8 Å²	8	60.7 Å²	60.7	3%	0.031	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-66.5	-23.1	179.4	-58.5	-71.1	0	0	0	112.8	L373 K374 K378 L379 C429 L430 D433 R439	L373-Y376 HydrophobicContact CB-CD2 4.28Å; L373-Y376 HydrophobicContact CD2-CD2 3.8Å; L373-Y376 HydrophobicContact CD2-CE2 3.84Å; L373-Y376 WeakPolarHBondContact O-CB 3.36Å; L373-Y376 VanDerWaalsContact O-CD2 3.31Å; L373-Y376 WeakPolarHBondContact O-CD2 3.38Å; L373-Y376 PolarHBondContact O-N 3.39Å; K374-Y376 VanDerWaalsContact C-N 3.29Å; K374-Y376 PolarHBondContact O-N 3.11Å; Y376-K378 PolarHBondContact O-N 3.27Å; Y376-K378 VanDerWaalsContact O-N 3.12Å; Y376-L379 HydrophobicContact CD1-CD1 3.9Å; Y376-L379 VanDerWaalsContact O-CB 3.3Å; Y376-L379 WeakPolarHBondContact O-CB 3.34Å; Y376-L379 PolarHBondContact O-N 2.99Å; Y376-C429 HydrophobicContact CD1-CB 4.14Å; Y376-C429 HydrophobicContact CE1-CB 4.31Å; Y376-L430 HydrophobicContact CE2-CD2 4.07Å; Y376-D433 HydrophobicContact CE1-CB 4.04Å; Y376-D433 WeakPolarHBondContact CE1-OD2 3.3Å; Y376-D433 VanDerWaalsContact CZ-OD2 3.3Å; Y376-D433 PolarHBondContact OH-OD2 3.37Å; Y376-R439 PolarHBondContact OH-NH2 2.86Å
377	E	88.5	Confident	88.9	Confident	39 Å²	39	62.6 Å²	62.6	18%	0.182	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.1	-19	172.4	-67.5	-170.7	139.4	0	0	112.5	K374 P375 L379 I380 I482 N485	K374-E377 VanDerWaalsContact CD-OE2 3.28Å; K374-E377 WeakPolarHBondContact CD-OE2 3.29Å; K374-E377 VanDerWaalsContact CE-OE2 3.25Å; K374-E377 WeakPolarHBondContact CE-OE2 3.49Å; K374-E377 IonicContact NZ-OE2 3.22Å; K374-E377 PolarHBondContact NZ-OE2 3.12Å; K374-E377 PolarHBondContact O-N 2.94Å; P375-E377 PolarHBondContact O-N 3.39Å; E377-L379 VanDerWaalsContact C-N 3.27Å; E377-I380 HydrophobicContact CB-CD1 4.28Å; E377-I380 HydrophobicContact CG-CD1 4.4Å; E377-I380 WeakPolarHBondContact O-CB 3.36Å; E377-I380 PolarHBondContact O-N 2.91Å; E377-I482 HydrophobicContact CG-CG2 3.99Å; E377-N485 PolarHBondContact OE1-ND2 2.82Å
378	K	86	Confident	88.4	Confident	172 Å²	172	59.9 Å²	59.9	75%	0.748	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72.8	-20.2	173.9	-60.4	179.3	-179.7	179.1	0	113	P375 Y376 I380	P375-K378 VanDerWaalsContact O-CB 3.25Å; P375-K378 WeakPolarHBondContact O-CB 3.24Å; P375-K378 WeakPolarHBondContact O-CG 3.16Å; P375-K378 PolarHBondContact O-N 3.01Å; Y376-K378 PolarHBondContact O-N 3.27Å; Y376-K378 VanDerWaalsContact O-N 3.12Å; K378-I380 PolarHBondContact O-N 3.22Å
379	L	82.7	Confident	88.1	Confident	106 Å²	106	61.9 Å²	61.9	56%	0.555	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-74.9	-15.4	175.8	-56.4	176.5	0	0	0	111.6	Y376 E377 I381	Y376-L379 HydrophobicContact CD1-CD1 3.9Å; Y376-L379 VanDerWaalsContact O-CB 3.3Å; Y376-L379 WeakPolarHBondContact O-CB 3.34Å; Y376-L379 PolarHBondContact O-N 2.99Å; E377-L379 VanDerWaalsContact C-N 3.27Å; L379-I381 PolarHBondContact O-N 2.85Å
380	I	86.4	Confident	87.8	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.077	30%	0.303	C	S	.	.			trans	-73.9	97.6	-180	-53.2	176.1	0	0	0	108.9	E377 K378 H382 G383 N485 L486 H489	E377-I380 HydrophobicContact CB-CD1 4.28Å; E377-I380 HydrophobicContact CG-CD1 4.4Å; E377-I380 WeakPolarHBondContact O-CB 3.36Å; E377-I380 PolarHBondContact O-N 2.91Å; K378-I380 PolarHBondContact O-N 3.22Å; I380-H382 VanDerWaalsContact C-N 3.34Å; I380-H382 PolarHBondContact O-N 2.92Å; I380-G383 PolarHBondContact O-N 3.34Å; I380-N485 HydrophobicContact CD1-CB 3.89Å; I380-L486 HydrophobicContact CD1-CD2 4.34Å; I380-L486 HydrophobicContact CG1-CD2 4.47Å; I380-H489 HydrophobicContact CD1-CB 4.36Å; I380-H489 HydrophobicContact CG1-CB 3.99Å; I380-H489 HydrophobicContact CG2-CB 4.09Å
381	I	82.5	Confident	87.4	Confident	144 Å²	144	62.4 Å²	62.4	74%	0.738	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-40.7	-175.6	-56.1	173	0	0	0	111.7	L379	L379-I381 PolarHBondContact O-N 2.85Å
382	H	84.4	Confident	87.1	Confident	48 Å²	48	59.1 Å²	59.1	22%	0.222	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.4	-175.9	-58.6	-64.9	0	0	0	114.5	I380 W506 R508	I380-H382 VanDerWaalsContact C-N 3.34Å; I380-H382 PolarHBondContact O-N 2.92Å; H382-W506 AromaticContact CG-CD1 3.66Å; H382-W506 PolarHBondContact ND1-O 2.82Å; H382-W506 VanDerWaalsContact ND1-O 3.11Å; H382-R508 PolarHBondContact O-N 3.07Å
383	G	87.3	Confident	86.8	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-82.8	119.5	-174.1	0	0	0	0	0	112.1	I380	I380-G383 PolarHBondContact O-N 3.34Å
384	I	86.8	Confident	86.6	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.062	31%	0.31	C	S	.	.			trans	-88	131.6	173.4	-64.5	160.6	0	0	0	109.9	N386 E389 F390 L507 R508 Y509	I384-N386 WeakPolarHBondContact CG2-O 3.42Å; I384-E389 HydrophobicContact CG2-CB 4.28Å; I384-F390 HydrophobicContact CD1-CB 4.13Å; I384-F390 HydrophobicContact CD1-CD2 3.54Å; I384-F390 HydrophobicContact CD1-CE2 4.44Å; I384-F390 HydrophobicContact CD1-CG 4.32Å; I384-F390 HydrophobicContact CG2-CB 4.17Å; I384-L507 HydrophobicContact CD1-CB 3.52Å; I384-L507 HydrophobicContact CD1-CD1 4.1Å; I384-L507 HydrophobicContact CD1-CD2 3.93Å; I384-L507 HydrophobicContact CD1-CG 4.01Å; I384-L507 HydrophobicContact CG1-CB 4.38Å; I384-L507 HydrophobicContact CG1-CD2 3.98Å; I384-R508 PolarHBondContact N-O 2.81Å; I384-Y509 WeakPolarHBondContact O-CD2 3.44Å
385	K	84.7	Confident	86.3	Confident	153 Å²	153	58.7 Å²	58.7	67%	0.665	30%	0.3	S	S	*	.			trans	-83.6	-35.7	178.9	-62.2	166.1	-175.3	150.1	0	112.4	E389	K385-E389 VanDerWaalsContact CB-OE2 3.23Å; K385-E389 WeakPolarHBondContact CB-OE2 3.49Å; K385-E389 WeakPolarHBondContact CG-OE2 3.43Å; K385-E389 PolarHBondContact N-OE2 3.03Å
386	N	81.8	Confident	86	Confident	75 Å²	75	61.4 Å²	61.4	40%	0.401	32%	0.315	S	S	.	.	S	Bend	trans	-157.4	164.5	-175.9	64.1	76	0	0	0	112.4	I384 M388 E389 F390	I384-N386 WeakPolarHBondContact CG2-O 3.42Å; N386-M388 VanDerWaalsContact C-N 3.27Å; N386-M388 PolarHBondContact O-N 2.87Å; N386-M388 WeakPolarHBondContact OD1-CA 3.39Å; N386-M388 WeakPolarHBondContact OD1-CB 3.3Å; N386-M388 PolarHBondContact OD1-N 3.22Å; N386-E389 PolarHBondContact O-N 2.81Å; N386-E389 VanDerWaalsContact O-N 3.17Å; N386-E389 PolarHBondContact OD1-N 3.43Å; N386-E389 VanDerWaalsContact OD1-N 3.12Å; N386-F390 PolarHBondContact O-N 2.86Å
387	S	81.1	Confident	86	Confident	41 Å²	41	61.9 Å²	61.9	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-44.8	-46	173.6	-58.3	0	0	0	0	113.3	E389 F390 K391 Y554	S387-E389 PolarHBondContact O-N 3.22Å; S387-F390 WeakPolarHBondContact O-CB 3.48Å; S387-F390 PolarHBondContact O-N 2.86Å; S387-K391 PolarHBondContact O-N 3.32Å; S387-K391 VanDerWaalsContact O-N 3.07Å; S387-Y554 WeakPolarHBondContact CA-OH 3.28Å; S387-Y554 WeakPolarHBondContact CB-OH 3.46Å; S387-Y554 PolarHBondContact O-OH 2.99Å
388	M	83.6	Confident	86.1	Confident	68 Å²	68	63.2 Å²	63.2	34%	0.335	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-38.3	-175.6	-165.5	74.6	-160.4	0	0	112.8	N386 K391 N392 K604	N386-M388 VanDerWaalsContact C-N 3.27Å; N386-M388 PolarHBondContact O-N 2.87Å; N386-M388 WeakPolarHBondContact OD1-CA 3.39Å; N386-M388 WeakPolarHBondContact OD1-CB 3.3Å; N386-M388 PolarHBondContact OD1-N 3.22Å; M388-K391 PolarHBondContact O-N 3.34Å; M388-N392 WeakPolarHBondContact CE-OD1 2.88Å; M388-N392 VanDerWaalsContact O-CG 3.23Å; M388-N392 PolarHBondContact O-N 3.39Å; M388-N392 PolarHBondContact O-OD1 3.03Å; M388-K604 HydrophobicContact SD-CB 4.16Å; M388-K604 HydrophobicContact SD-CD 4.46Å
389	E	86.8	Confident	86.2	Confident	57 Å²	57	55.3 Å²	55.3	27%	0.266	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-43.4	176.3	-176.2	171.2	-141.4	0	0	111	I384 K385 N386 S387 K391 N392 I393	I384-E389 HydrophobicContact CG2-CB 4.28Å; K385-E389 VanDerWaalsContact CB-OE2 3.23Å; K385-E389 WeakPolarHBondContact CB-OE2 3.49Å; K385-E389 WeakPolarHBondContact CG-OE2 3.43Å; K385-E389 PolarHBondContact N-OE2 3.03Å; N386-E389 PolarHBondContact O-N 2.81Å; N386-E389 VanDerWaalsContact O-N 3.17Å; N386-E389 PolarHBondContact OD1-N 3.43Å; N386-E389 VanDerWaalsContact OD1-N 3.12Å; S387-E389 PolarHBondContact O-N 3.22Å; E389-K391 PolarHBondContact O-N 3.05Å; E389-N392 PolarHBondContact O-N 2.61Å; E389-I393 HydrophobicContact CG-CD1 4.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.47Å; E389-I393 PolarHBondContact O-N 3.08Å; E389-I393 VanDerWaalsContact O-N 3.11Å
390	F	88	Confident	86.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-54.7	-51.5	171.8	179.5	-101.5	0	0	0	111.6	I384 N386 S387 N392 I393 I394 L507 F514 F551 Y554 I556	I384-F390 HydrophobicContact CD1-CB 4.13Å; I384-F390 HydrophobicContact CD1-CD2 3.54Å; I384-F390 HydrophobicContact CD1-CE2 4.44Å; I384-F390 HydrophobicContact CD1-CG 4.32Å; I384-F390 HydrophobicContact CG2-CB 4.17Å; N386-F390 PolarHBondContact O-N 2.86Å; S387-F390 WeakPolarHBondContact O-CB 3.48Å; S387-F390 PolarHBondContact O-N 2.86Å; F390-N392 PolarHBondContact O-N 3.07Å; F390-I393 PolarHBondContact O-N 3.21Å; F390-I394 HydrophobicContact CD1-CG1 3.97Å; F390-I394 HydrophobicContact CD2-CG1 4.2Å; F390-I394 HydrophobicContact CE1-CD1 4.35Å; F390-I394 HydrophobicContact CE1-CG1 3.6Å; F390-I394 HydrophobicContact CE2-CD1 3.98Å; F390-I394 HydrophobicContact CE2-CG1 3.86Å; F390-I394 HydrophobicContact CG-CG1 4.28Å; F390-I394 HydrophobicContact CZ-CD1 3.8Å; F390-I394 HydrophobicContact CZ-CG1 3.54Å; F390-I394 VanDerWaalsContact O-CG1 3.31Å; F390-I394 WeakPolarHBondContact O-CG1 3.42Å; F390-I394 PolarHBondContact O-N 3.47Å; F390-L507 HydrophobicContact CD2-CD1 3.87Å; F390-L507 HydrophobicContact CE2-CD1 3.92Å; F390-F514 HydrophobicContact CE2-CB 4.02Å; F390-F514 AromaticContact CE2-CD1 3.79Å; F390-F514 HydrophobicContact CE2-CD1 3.79Å; F390-F514 HydrophobicContact CE2-CD2 4.47Å; F390-F514 HydrophobicContact CE2-CE1 4.37Å; F390-F514 AromaticContact CE2-CG 3.84Å; F390-F514 HydrophobicContact CE2-CG 3.84Å; F390-F514 HydrophobicContact CZ-CD1 4.11Å; F390-F514 HydrophobicContact CZ-CD2 4.22Å; F390-F514 HydrophobicContact CZ-CE1 4.35Å; F390-F514 HydrophobicContact CZ-CE2 4.45Å; F390-F514 HydrophobicContact CZ-CG 4.03Å; F390-F551 HydrophobicContact CD2-CD1 4.18Å; F390-F551 AromaticContact CD2-CE1 3.92Å; F390-F551 HydrophobicContact CD2-CE1 3.92Å; F390-F551 HydrophobicContact CE1-CD1 4.02Å; F390-F551 AromaticContact CE2-CD1 3.6Å; F390-F551 HydrophobicContact CE2-CD1 3.6Å; F390-F551 AromaticContact CE2-CE1 3.61Å; F390-F551 HydrophobicContact CE2-CE1 3.61Å; F390-F551 AromaticContact CZ-CD1 3.5Å; F390-F551 HydrophobicContact CZ-CD1 3.5Å; F390-F551 VanDerWaalsContact CZ-CD1 3.5Å; F390-F551 HydrophobicContact CZ-CE1 4.03Å; F390-F551 HydrophobicContact CZ-CG 4.36Å; F390-Y554 HydrophobicContact CB-CE2 4.22Å; F390-Y554 AromaticContact CD1-CD2 3.42Å; F390-Y554 HydrophobicContact CD1-CD2 3.42Å; F390-Y554 VanDerWaalsContact CD1-CD2 3.42Å; F390-Y554 AromaticContact CD1-CE2 3.32Å; F390-Y554 HydrophobicContact CD1-CE2 3.32Å; F390-Y554 HydrophobicContact CD1-CG 4.26Å; F390-Y554 AromaticContact CE1-CD2 3.58Å; F390-Y554 HydrophobicContact CE1-CD2 3.58Å; F390-Y554 HydrophobicContact CE1-CE2 4.01Å; F390-Y554 HydrophobicContact CE1-CG 4.19Å; F390-Y554 HydrophobicContact CG-CD2 4.4Å; F390-Y554 HydrophobicContact CG-CE2 4.06Å; F390-I556 HydrophobicContact CE1-CD1 3.73Å; F390-I556 HydrophobicContact CE1-CG1 4.34Å; F390-I556 HydrophobicContact CZ-CD1 3.51Å
391	K	86.5	Confident	86.6	Confident	22 Å²	22	59.9 Å²	59.9	10%	0.096	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-45.5	-179.7	174.1	171.9	-172	-61.8	0	112.1	S387 M388 E389 I393 I394 D395 I567 K604 L605	S387-K391 PolarHBondContact O-N 3.32Å; S387-K391 VanDerWaalsContact O-N 3.07Å; M388-K391 PolarHBondContact O-N 3.34Å; E389-K391 PolarHBondContact O-N 3.05Å; K391-I393 PolarHBondContact O-N 3.31Å; K391-I394 PolarHBondContact O-N 3.27Å; K391-D395 IonicContact NZ-OD1 3.19Å; K391-D395 IonicContact NZ-OD2 3.21Å; K391-D395 PolarHBondContact NZ-OD2 3.16Å; K391-D395 WeakPolarHBondContact O-CB 3.23Å; K391-D395 PolarHBondContact O-N 3.39Å; K391-I567 HydrophobicContact CB-CD1 4.16Å; K391-I567 HydrophobicContact CG-CD1 3.88Å; K391-K604 WeakPolarHBondContact CD-O 3.01Å; K391-K604 WeakPolarHBondContact CE-O 3.36Å; K391-L605 WeakPolarHBondContact CD-O 3.15Å; K391-L605 WeakPolarHBondContact CE-O 3.38Å
392	N	88.3	Confident	87	Confident	85 Å²	85	56.4 Å²	56.4	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-38.1	-179.6	-70	-13.2	0	0	0	111.7	M388 E389 F390 T396	M388-N392 WeakPolarHBondContact CE-OD1 2.88Å; M388-N392 VanDerWaalsContact O-CG 3.23Å; M388-N392 PolarHBondContact O-N 3.39Å; M388-N392 PolarHBondContact O-OD1 3.03Å; E389-N392 PolarHBondContact O-N 2.61Å; F390-N392 PolarHBondContact O-N 3.07Å; N392-T396 WeakPolarHBondContact O-CG2 3.49Å
393	I	88.9	Confident	87.4	Confident	58 Å²	58	54.9 Å²	54.9	30%	0.297	29%	0.287	S	S	.	.	H	α-helix	trans	-68.7	-49.8	176.3	-65	165.8	0	0	0	109.7	E389 F390 K391 D395 T396 I397 L507	E389-I393 HydrophobicContact CG-CD1 4.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.47Å; E389-I393 PolarHBondContact O-N 3.08Å; E389-I393 VanDerWaalsContact O-N 3.11Å; F390-I393 PolarHBondContact O-N 3.21Å; K391-I393 PolarHBondContact O-N 3.31Å; I393-D395 VanDerWaalsContact C-N 3.32Å; I393-D395 PolarHBondContact O-N 3.34Å; I393-T396 PolarHBondContact O-N 3.01Å; I393-T396 PolarHBondContact O-OG1 2.86Å; I393-I397 HydrophobicContact CG2-CD1 3.59Å; I393-I397 WeakPolarHBondContact O-CD1 3.36Å; I393-I397 WeakPolarHBondContact O-CG1 3.44Å; I393-I397 PolarHBondContact O-N 2.82Å; I393-L507 HydrophobicContact CB-CD1 4.43Å; I393-L507 HydrophobicContact CD1-CD2 3.9Å; I393-L507 HydrophobicContact CG2-CD1 3.86Å; I393-L507 HydrophobicContact CG2-CD2 4.44Å
394	I	89	Confident	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-38.2	-179.8	-66.2	-60.4	0	0	0	112.8	F390 K391 T396 I397 L507 F514 L565 I567	F390-I394 HydrophobicContact CD1-CG1 3.97Å; F390-I394 HydrophobicContact CD2-CG1 4.2Å; F390-I394 HydrophobicContact CE1-CD1 4.35Å; F390-I394 HydrophobicContact CE1-CG1 3.6Å; F390-I394 HydrophobicContact CE2-CD1 3.98Å; F390-I394 HydrophobicContact CE2-CG1 3.86Å; F390-I394 HydrophobicContact CG-CG1 4.28Å; F390-I394 HydrophobicContact CZ-CD1 3.8Å; F390-I394 HydrophobicContact CZ-CG1 3.54Å; F390-I394 VanDerWaalsContact O-CG1 3.31Å; F390-I394 WeakPolarHBondContact O-CG1 3.42Å; F390-I394 PolarHBondContact O-N 3.47Å; K391-I394 PolarHBondContact O-N 3.27Å; I394-T396 PolarHBondContact O-N 3.41Å; I394-I397 HydrophobicContact CD1-CD1 4.27Å; I394-I397 PolarHBondContact O-N 3.26Å; I394-I397 VanDerWaalsContact O-N 3.15Å; I394-L507 HydrophobicContact CD1-CD1 4.42Å; I394-F514 HydrophobicContact CD1-CD1 4.15Å; I394-F514 HydrophobicContact CD1-CE1 3.45Å; I394-F514 VanDerWaalsContact CD1-CE1 3.45Å; I394-F514 HydrophobicContact CD1-CZ 3.98Å; I394-L565 HydrophobicContact CD1-CD1 4.37Å; I394-L565 HydrophobicContact CG2-CB 3.72Å; I394-L565 HydrophobicContact CG2-CD1 3.75Å; I394-L565 HydrophobicContact CG2-CG 4.38Å; I394-I567 HydrophobicContact CB-CD1 4.06Å; I394-I567 HydrophobicContact CG2-CD1 3.73Å; I394-I567 HydrophobicContact CG2-CG1 4.19Å
395	D	86.1	Confident	88.1	Confident	54 Å²	54	53.5 Å²	53.5	29%	0.289	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.3	177.9	-75.6	-24.6	0	0	0	113.1	K391 I393	K391-D395 IonicContact NZ-OD1 3.19Å; K391-D395 IonicContact NZ-OD2 3.21Å; K391-D395 PolarHBondContact NZ-OD2 3.16Å; K391-D395 WeakPolarHBondContact O-CB 3.23Å; K391-D395 PolarHBondContact O-N 3.39Å; I393-D395 VanDerWaalsContact C-N 3.32Å; I393-D395 PolarHBondContact O-N 3.34Å
396	T	87.1	Confident	88.6	Confident	107 Å²	107	46.2 Å²	46.2	66%	0.656	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-9.6	178.3	63.7	0	0	0	0	113.8	N392 I393 I394	N392-T396 WeakPolarHBondContact O-CG2 3.49Å; I393-T396 PolarHBondContact O-N 3.01Å; I393-T396 PolarHBondContact O-OG1 2.86Å; I394-T396 PolarHBondContact O-N 3.41Å
397	I	89	Confident	89.3	Confident	19 Å²	19	43.1 Å²	43.1	10%	0.097	23%	0.226	C	C	.	.			trans	-98.5	126.8	-174.2	-66.1	155.1	0	0	0	109.7	I393 I394 V505 I516	I393-I397 HydrophobicContact CG2-CD1 3.59Å; I393-I397 WeakPolarHBondContact O-CD1 3.36Å; I393-I397 WeakPolarHBondContact O-CG1 3.44Å; I393-I397 PolarHBondContact O-N 2.82Å; I394-I397 HydrophobicContact CD1-CD1 4.27Å; I394-I397 PolarHBondContact O-N 3.26Å; I394-I397 VanDerWaalsContact O-N 3.15Å; I397-V505 HydrophobicContact CD1-CB 4.45Å; I397-V505 HydrophobicContact CD1-CG1 4.07Å; I397-V505 HydrophobicContact CD1-CG2 3.47Å; I397-V505 VanDerWaalsContact CD1-CG2 3.47Å; I397-V505 HydrophobicContact CG1-CG2 4.1Å; I397-V505 HydrophobicContact CG2-CG2 4.11Å; I397-I516 HydrophobicContact CG2-CD1 4.07Å
398	D	90.4	Very high	89.9	Confident	66 Å²	66	41.2 Å²	41.2	35%	0.353	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-94	141.1	165	-58.4	-42.1	0	0	0	108.8	K504 R563 K564	D398-K504 WeakPolarHBondContact O-CE 3.25Å; D398-K504 PolarHBondContact O-NZ 2.92Å; D398-R563 CarbonylContact C-O 3.57Å; D398-R563 WeakPolarHBondContact CA-O 3.35Å; D398-R563 HydrophobicContact CB-CB 4.42Å; D398-K564 VanDerWaalsContact OD1-CE 3.22Å; D398-K564 WeakPolarHBondContact OD1-CE 3.37Å; D398-K564 WeakPolarHBondContact OD1-CG 3.33Å
399	I	89.6	Confident	90.3	Very high	6 Å²	6	41 Å²	41	3%	0.031	21%	0.213	C	C	.	.			trans	-110.2	127.6	179.7	-167.7	165.6	0	0	0	110.4	E403 M405 I516 R558 R563 L565	I399-E403 HydrophobicContact CG1-CB 3.81Å; I399-M405 HydrophobicContact CD1-CG 3.49Å; I399-M405 VanDerWaalsContact CD1-CG 3.49Å; I399-M405 HydrophobicContact CD1-SD 4.29Å; I399-I516 HydrophobicContact CD1-CD1 4.47Å; I399-I516 HydrophobicContact CD1-CG2 4.06Å; I399-I516 HydrophobicContact CG1-CG2 4.2Å; I399-R558 HydrophobicContact CG2-CG 4.16Å; I399-R563 PolarHBondContact N-O 2.79Å; I399-R563 WeakPolarHBondContact O-CB 3.43Å; I399-L565 HydrophobicContact CB-CD2 4.46Å; I399-L565 HydrophobicContact CG2-CD2 3.85Å; I399-L565 HydrophobicContact CG2-CG 4.47Å
400	E	90.5	Very high	90.5	Very high	60 Å²	60	38.4 Å²	38.4	28%	0.28	20%	0.201	S	C	.	.			trans	-81.4	166.5	178.4	-58.5	-57.4	147.7	0	0	112	D402 E403 R558 R563	E400-D402 VanDerWaalsContact C-N 3.33Å; E400-D402 WeakPolarHBondContact CB-OD1 3.17Å; E400-E403 HydrophobicContact CB-CB 4.34Å; E400-E403 HydrophobicContact CB-CG 3.94Å; E400-E403 PolarHBondContact N-OE2 3.41Å; E400-E403 PolarHBondContact O-N 2.81Å; E400-R558 PolarHBondContact O-NH1 2.92Å; E400-R563 IonicContact OE1-NH1 3.99Å; E400-R563 IonicContact OE2-CZ 3.03Å; E400-R563 VanDerWaalsContact OE2-CZ 3.25Å; E400-R563 IonicContact OE2-NE 3.21Å; E400-R563 IonicContact OE2-NH1 3.2Å; E400-R563 PolarHBondContact OE2-NH1 3.48Å
401	E	86.7	Confident	90.4	Very high	157 Å²	157	40.4 Å²	40.4	73%	0.734	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.8	-178.6	-70.9	173	-152.6	0	0	112.6	E403 R563	E401-E403 VanDerWaalsContact C-N 3.34Å; E401-R563 IonicContact OE1-NH2 3.02Å
402	D	91.2	Very high	90.3	Very high	72 Å²	72	42.7 Å²	42.7	39%	0.385	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.5	175.6	67.8	-36.5	0	0	0	113.3	E400 K518 Q519	E400-D402 VanDerWaalsContact C-N 3.33Å; E400-D402 WeakPolarHBondContact CB-OD1 3.17Å; D402-K518 CarbonylContact O-C 3.5Å; D402-K518 VanDerWaalsContact O-CA 3.32Å; D402-K518 WeakPolarHBondContact O-CA 3.49Å; D402-K518 WeakPolarHBondContact OD2-CE 3.18Å; D402-K518 IonicContact OD2-NZ 2.95Å; D402-K518 PolarHBondContact OD2-NZ 3.24Å; D402-Q519 PolarHBondContact O-N 2.88Å
403	E	92.8	Very high	90.4	Very high	16 Å²	16	38.8 Å²	38.8	8%	0.075	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	149.9	175.4	-70.4	174.5	167.9	0	0	111	I399 E400 E401 K504 I516 I517 K518 R558	I399-E403 HydrophobicContact CG1-CB 3.81Å; E400-E403 HydrophobicContact CB-CB 4.34Å; E400-E403 HydrophobicContact CB-CG 3.94Å; E400-E403 PolarHBondContact N-OE2 3.41Å; E400-E403 PolarHBondContact O-N 2.81Å; E401-E403 VanDerWaalsContact C-N 3.34Å; E403-K504 VanDerWaalsContact CD-NZ 3.33Å; E403-K504 WeakPolarHBondContact OE1-CD 3.5Å; E403-K504 IonicContact OE1-NZ 2.64Å; E403-K504 PolarHBondContact OE1-NZ 3.2Å; E403-K504 IonicContact OE2-NZ 3.99Å; E403-K504 PolarHBondContact OE2-NZ 3.38Å; E403-I516 HydrophobicContact CB-CG2 4.19Å; E403-I517 CarbonylContact C-O 3.6Å; E403-I517 WeakPolarHBondContact CA-O 3.44Å; E403-K518 HydrophobicContact CG-CG 4.43Å; E403-R558 PolarHBondContact O-NH1 2.84Å; E403-R558 VanDerWaalsContact O-NH1 3.15Å; E403-R558 PolarHBondContact O-NH2 2.92Å
404	V	93.6	Very high	90.4	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.4	179.7	71.9	0	0	0	0	111.3	I516 I517 Q519 L522 I542 E543	V404-I516 WeakPolarHBondContact O-CA 3.48Å; V404-I517 HydrophobicContact CG1-CG2 4.41Å; V404-I517 PolarHBondContact N-O 3.18Å; V404-I517 PolarHBondContact O-N 3.45Å; V404-Q519 HydrophobicContact CB-CB 4.46Å; V404-Q519 HydrophobicContact CG1-CB 4.36Å; V404-L522 HydrophobicContact CG1-CB 4.35Å; V404-L522 HydrophobicContact CG1-CD2 3.85Å; V404-I542 HydrophobicContact CG2-CG2 3.64Å; V404-E543 HydrophobicContact CG2-CG 3.69Å
405	M	95	Very high	90.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.7	169.1	-57	-179	-73.4	0	0	110.2	I399 F514 V515 I516 E543 L549 I556 R558 L565	I399-M405 HydrophobicContact CD1-CG 3.49Å; I399-M405 VanDerWaalsContact CD1-CG 3.49Å; I399-M405 HydrophobicContact CD1-SD 4.29Å; M405-F514 HydrophobicContact CB-CE2 4.22Å; M405-F514 HydrophobicContact CB-CZ 4.29Å; M405-F514 HydrophobicContact CG-CE2 4.5Å; M405-F514 HydrophobicContact CG-CZ 4.14Å; M405-F514 HydrophobicContact SD-CE2 4.41Å; M405-F514 HydrophobicContact SD-CZ 4.1Å; M405-V515 WeakPolarHBondContact CA-O 3.41Å; M405-I516 HydrophobicContact CG-CD1 4.29Å; M405-I516 HydrophobicContact CG-CG1 4.18Å; M405-E543 HydrophobicContact CB-CB 4.39Å; M405-E543 HydrophobicContact CE-CB 4.35Å; M405-E543 VanDerWaalsContact CE-OE2 3.28Å; M405-E543 WeakPolarHBondContact CE-OE2 3.21Å; M405-E543 PolarHBondContact N-OE2 3.05Å; M405-E543 PolarHBondContact O-N 3.05Å; M405-L549 HydrophobicContact CB-CD2 3.8Å; M405-I556 HydrophobicContact CE-CG2 4.33Å; M405-I556 HydrophobicContact SD-CB 4.41Å; M405-I556 HydrophobicContact SD-CG2 3.61Å; M405-R558 HydrophobicContact CE-CG 3.92Å; M405-L565 HydrophobicContact CE-CD2 4.18Å; M405-L565 HydrophobicContact SD-CD1 4.08Å; M405-L565 HydrophobicContact SD-CD2 3.65Å
406	A	95.5	Very high	90.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150	173.2	0	0	0	0	0	111.2	F408 V515 L522 E541	A406-F408 HydrophobicContact CB-CE1 4.06Å; A406-V515 PolarHBondContact N-O 2.94Å; A406-V515 PolarHBondContact O-N 2.99Å; A406-L522 HydrophobicContact CB-CD1 3.72Å; A406-L522 HydrophobicContact CB-CD2 4.12Å; A406-E541 CarbonylContact C-O 3.54Å; A406-E541 WeakPolarHBondContact CA-O 3.2Å
407	S	95.1	Very high	90.6	Very high	11 Å²	11	32.9 Å²	32.9	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.3	171.6	-174.8	0	0	0	0	108.7	I513 K540 E541	S407-I513 CarbonylContact C-O 3.41Å; S407-I513 VanDerWaalsContact CA-O 3.22Å; S407-I513 WeakPolarHBondContact CA-O 3.35Å; S407-I513 PolarHBondContact OG-O 3.25Å; S407-K540 CarbonylContact O-C 3.51Å; S407-K540 VanDerWaalsContact O-CA 3.3Å; S407-K540 WeakPolarHBondContact O-CA 3.31Å; S407-E541 PolarHBondContact N-O 3.4Å; S407-E541 PolarHBondContact O-N 3.33Å
408	F	94.2	Very high	90.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.1	170	-49.7	-31.5	0	0	0	110.5	A406 W506 I513 V515 L522 F526 L538 T539 K540	A406-F408 HydrophobicContact CB-CE1 4.06Å; F408-W506 AromaticContact CD2-CH2 3.96Å; F408-W506 HydrophobicContact CD2-CH2 3.96Å; F408-W506 HydrophobicContact CD2-CZ3 4.14Å; F408-W506 HydrophobicContact CE2-CH2 4.01Å; F408-W506 AromaticContact CE2-CZ3 3.79Å; F408-W506 HydrophobicContact CE2-CZ3 3.79Å; F408-I513 HydrophobicContact CB-CB 4.11Å; F408-I513 HydrophobicContact CB-CD1 4.43Å; F408-I513 HydrophobicContact CD2-CG2 4.37Å; F408-I513 PolarHBondContact N-O 2.79Å; F408-I513 PolarHBondContact O-N 2.94Å; F408-V515 HydrophobicContact CD2-CG2 3.98Å; F408-V515 HydrophobicContact CE2-CG2 3.79Å; F408-V515 HydrophobicContact CZ-CG2 4.32Å; F408-L522 HydrophobicContact CE1-CD1 4.11Å; F408-L522 HydrophobicContact CZ-CD1 3.87Å; F408-F526 HydrophobicContact CD1-CD2 4.11Å; F408-F526 HydrophobicContact CD1-CE2 4.48Å; F408-F526 AromaticContact CE1-CD2 3.88Å; F408-F526 HydrophobicContact CE1-CD2 3.88Å; F408-F526 HydrophobicContact CZ-CB 4.29Å; F408-F526 HydrophobicContact CZ-CD2 4.13Å; F408-L538 HydrophobicContact CB-CD2 3.82Å; F408-L538 HydrophobicContact CD2-CD2 4.29Å; F408-L538 HydrophobicContact CG-CD2 4.41Å; F408-T539 CarbonylContact C-O 3.55Å; F408-T539 VanDerWaalsContact CA-O 3.26Å; F408-T539 WeakPolarHBondContact CA-O 3.09Å; F408-K540 HydrophobicContact CD1-CB 3.46Å; F408-K540 VanDerWaalsContact CD1-CB 3.46Å; F408-K540 HydrophobicContact CE1-CB 3.64Å; F408-K540 HydrophobicContact CE1-CD 4.39Å
409	D	92.2	Very high	90.8	Very high	63 Å²	63	30.8 Å²	30.8	34%	0.337	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.6	176.4	179	49.3	0	0	0	109.5	L538 T539	D409-L538 CarbonylContact O-C 3.51Å; D409-L538 WeakPolarHBondContact O-CA 3.48Å; D409-T539 PolarHBondContact N-O 2.92Å; D409-T539 PolarHBondContact O-N 2.91Å; D409-T539 PolarHBondContact O-OG1 2.99Å
410	V	90.6	Very high	91	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.3	180	-176.4	0	0	0	0	110.8	S412 L413 M488 D511 I536 L538	V410-S412 PolarHBondContact O-N 2.98Å; V410-L413 HydrophobicContact CB-CB 4.24Å; V410-L413 HydrophobicContact CG1-CB 3.79Å; V410-L413 HydrophobicContact CG1-CD1 3.98Å; V410-L413 HydrophobicContact CG1-CG 4.44Å; V410-M488 HydrophobicContact CG2-CE 3.67Å; V410-M488 HydrophobicContact CG2-SD 4.14Å; V410-D511 HydrophobicContact CB-CB 4.32Å; V410-D511 PolarHBondContact N-O 3.29Å; V410-I536 HydrophobicContact CG1-CG2 3.6Å; V410-L538 HydrophobicContact CG2-CD2 4.46Å; V410-L538 HydrophobicContact CG2-CG 4.13Å
411	S	87.1	Confident	91.1	Very high	42 Å²	42	36 Å²	36	29%	0.294	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	105.7	177.7	-70.5	0	0	0	0	111.6	L413 N416 N537	S411-L413 VanDerWaalsContact C-N 3.34Å; S411-L413 PolarHBondContact O-N 2.87Å; S411-N416 PolarHBondContact O-ND2 3.04Å; S411-N537 VanDerWaalsContact CB-O 3.3Å; S411-N537 WeakPolarHBondContact CB-O 3.45Å; S411-N537 PolarHBondContact N-O 3.18Å
412	S	83.7	Confident	91.4	Very high	69 Å²	69	28.6 Å²	28.6	48%	0.483	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	43.2	173.7	-55.7	0	0	0	0	114.2	V410 F414 T415	V410-S412 PolarHBondContact O-N 2.98Å; S412-F414 VanDerWaalsContact C-N 3.35Å; S412-F414 PolarHBondContact O-N 2.94Å; S412-T415 WeakPolarHBondContact CB-OG1 3.5Å; S412-T415 PolarHBondContact O-N 3.37Å; S412-T415 PolarHBondContact O-OG1 3.31Å
413	L	89.8	Confident	91.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-29.8	-63.4	-177.1	175.9	58.7	0	0	0	114	V410 S411 T415 N416 V417 A484 M488 D511 I536	V410-L413 HydrophobicContact CB-CB 4.24Å; V410-L413 HydrophobicContact CG1-CB 3.79Å; V410-L413 HydrophobicContact CG1-CD1 3.98Å; V410-L413 HydrophobicContact CG1-CG 4.44Å; S411-L413 VanDerWaalsContact C-N 3.34Å; S411-L413 PolarHBondContact O-N 2.87Å; L413-T415 PolarHBondContact O-N 3.07Å; L413-N416 PolarHBondContact O-N 2.82Å; L413-N416 VanDerWaalsContact O-N 3.12Å; L413-V417 HydrophobicContact CD1-CG2 4.01Å; L413-V417 WeakPolarHBondContact O-CG2 3.36Å; L413-V417 PolarHBondContact O-N 3.46Å; L413-A484 HydrophobicContact CD2-CB 4.17Å; L413-A484 HydrophobicContact CG-CB 4.35Å; L413-M488 HydrophobicContact CD1-CG 3.79Å; L413-M488 HydrophobicContact CD1-SD 3.63Å; L413-M488 HydrophobicContact CD2-CG 4.36Å; L413-D511 HydrophobicContact CD2-CB 4.1Å; L413-I536 HydrophobicContact CD1-CD1 3.98Å
414	F	89.1	Confident	91.8	Very high	30 Å²	30	29.9 Å²	29.9	13%	0.132	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-41.8	-172.6	-67.6	-88.7	0	0	0	114.1	S412 N416 G472 I473 M475 A484	S412-F414 VanDerWaalsContact C-N 3.35Å; S412-F414 PolarHBondContact O-N 2.94Å; F414-N416 PolarHBondContact O-N 2.63Å; F414-G472 CarbonylContact O-C 3.56Å; F414-G472 WeakPolarHBondContact O-CA 3.37Å; F414-I473 CarbonylContact C-O 3.55Å; F414-I473 HydrophobicContact CB-CG1 4.25Å; F414-I473 HydrophobicContact CD1-CD1 3.94Å; F414-I473 HydrophobicContact CD1-CG1 3.93Å; F414-I473 WeakPolarHBondContact O-CG1 3.4Å; F414-I473 PolarHBondContact O-N 2.89Å; F414-M475 HydrophobicContact CB-CE 3.93Å; F414-M475 HydrophobicContact CB-CG 3.57Å; F414-M475 HydrophobicContact CD1-CG 4.19Å; F414-M475 HydrophobicContact CD2-CE 3.87Å; F414-M475 HydrophobicContact CD2-CG 3.59Å; F414-M475 HydrophobicContact CD2-SD 4.3Å; F414-M475 HydrophobicContact CE2-CG 4.31Å; F414-M475 HydrophobicContact CG-CB 4.44Å; F414-M475 HydrophobicContact CG-CE 4.29Å; F414-M475 HydrophobicContact CG-CG 3.51Å; F414-A484 HydrophobicContact CD1-CB 4.49Å; F414-A484 HydrophobicContact CE1-CB 4.16Å
415	T	86.4	Confident	91.8	Very high	16 Å²	16	30.9 Å²	30.9	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-74.9	-12	-177.3	52.4	0	0	0	0	113.3	S412 L413 G472	S412-T415 WeakPolarHBondContact CB-OG1 3.5Å; S412-T415 PolarHBondContact O-N 3.37Å; S412-T415 PolarHBondContact O-OG1 3.31Å; L413-T415 PolarHBondContact O-N 3.07Å; T415-G472 VanDerWaalsContact O-CA 3.29Å; T415-G472 WeakPolarHBondContact O-CA 3.32Å
416	N	88.8	Confident	91.8	Very high	48 Å²	48	31 Å²	31	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-115.2	1.1	-170.5	-66	13.3	0	0	0	113.1	S411 L413 F414 P418 Q535 I536	S411-N416 PolarHBondContact O-ND2 3.04Å; L413-N416 PolarHBondContact O-N 2.82Å; L413-N416 VanDerWaalsContact O-N 3.12Å; F414-N416 PolarHBondContact O-N 2.63Å; N416-P418 WeakPolarHBondContact O-CD 3.19Å; N416-Q535 WeakPolarHBondContact CB-O 3.48Å; N416-Q535 PolarHBondContact ND2-O 2.88Å; N416-Q535 WeakPolarHBondContact O-CB 3.48Å; N416-I536 HydrophobicContact CB-CG1 4.35Å
417	V	91.2	Very high	91.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.			trans	-72.1	118.3	175.1	170.5	0	0	0	0	109.9	L413 I419 A422 G472 I473 F487 I536	L413-V417 HydrophobicContact CD1-CG2 4.01Å; L413-V417 WeakPolarHBondContact O-CG2 3.36Å; L413-V417 PolarHBondContact O-N 3.46Å; V417-I419 PolarHBondContact O-N 3.05Å; V417-A422 HydrophobicContact CG1-CB 3.92Å; V417-G472 WeakPolarHBondContact O-CA 3.43Å; V417-I473 HydrophobicContact CB-CD1 4.47Å; V417-I473 HydrophobicContact CB-CG1 4.3Å; V417-I473 HydrophobicContact CG1-CG2 4.44Å; V417-I473 HydrophobicContact CG2-CD1 4.44Å; V417-F487 HydrophobicContact CG1-CB 4.25Å; V417-F487 HydrophobicContact CG1-CD1 4.23Å; V417-F487 HydrophobicContact CG1-CD2 4.21Å; V417-F487 HydrophobicContact CG1-CG 3.95Å; V417-F487 HydrophobicContact CG2-CD1 4Å; V417-F487 HydrophobicContact CG2-CE1 4.5Å; V417-F487 HydrophobicContact CG2-CG 4.44Å; V417-I536 HydrophobicContact CG2-CD1 4.05Å
418	P	91.7	Very high	91.8	Very high	25 Å²	25	36.6 Å²	36.6	16%	0.162	20%	0.2	C	C	.	.			trans	-64.3	116.7	173	19.9	-28.5	0	0	0	110.7	N416 N420 R421 A422 F487 Q535	N416-P418 WeakPolarHBondContact O-CD 3.19Å; P418-N420 PolarHBondContact O-N 2.86Å; P418-R421 HydrophobicContact CB-CB 4.13Å; P418-R421 HydrophobicContact CG-CB 3.95Å; P418-R421 PolarHBondContact O-N 3.33Å; P418-A422 WeakPolarHBondContact O-CB 3.26Å; P418-A422 PolarHBondContact O-N 2.82Å; P418-F487 HydrophobicContact CG-CE2 3.62Å; P418-F487 HydrophobicContact CG-CZ 3.66Å; P418-Q535 VanDerWaalsContact CB-OE1 3.22Å
419	I	92.2	Very high	91.7	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-47.4	-176.7	-62.5	175.8	0	0	0	111	V417 A422 L423 L455 R456 I473	V417-I419 PolarHBondContact O-N 3.05Å; I419-A422 PolarHBondContact O-N 3.14Å; I419-L423 HydrophobicContact CG2-CD1 3.95Å; I419-L423 HydrophobicContact CG2-CG 4.22Å; I419-L423 VanDerWaalsContact O-CG 3.29Å; I419-L423 WeakPolarHBondContact O-CG 3.29Å; I419-L423 PolarHBondContact O-N 2.99Å; I419-L455 HydrophobicContact CD1-CB 4.4Å; I419-L455 HydrophobicContact CG2-CB 4.13Å; I419-L455 HydrophobicContact CG2-CD1 4.08Å; I419-R456 HydrophobicContact CD1-CG 4.1Å; I419-R456 HydrophobicContact CG2-CG 4.49Å; I419-I473 HydrophobicContact CG1-CG2 4.46Å
420	N	93.6	Very high	91.8	Very high	96 Å²	96	35.1 Å²	35.1	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-60.3	-53.4	-177.2	-70.5	-18.8	0	0	0	111.9	P418 A422 L423 D424 R456	P418-N420 PolarHBondContact O-N 2.86Å; N420-A422 PolarHBondContact O-N 2.82Å; N420-L423 WeakPolarHBondContact O-CA 3.26Å; N420-L423 WeakPolarHBondContact O-CB 3.28Å; N420-L423 PolarHBondContact O-N 2.93Å; N420-D424 VanDerWaalsContact O-CG 3.27Å; N420-D424 PolarHBondContact O-N 3.01Å; N420-R456 PolarHBondContact OD1-NH1 3.21Å; N420-R456 PolarHBondContact OD1-NH2 2.93Å
421	R	92.4	Very high	91.9	Very high	78 Å²	78	40.5 Å²	40.5	29%	0.294	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-37.3	178.2	-175	173.3	174.5	179.9	4.8	111.9	P418 D424 I425 F487 I532	P418-R421 HydrophobicContact CB-CB 4.13Å; P418-R421 HydrophobicContact CG-CB 3.95Å; P418-R421 PolarHBondContact O-N 3.33Å; R421-D424 PolarHBondContact O-N 3.27Å; R421-I425 HydrophobicContact CG-CD1 4.16Å; R421-I425 WeakPolarHBondContact O-CD1 3.36Å; R421-I425 VanDerWaalsContact O-CG1 3.25Å; R421-I425 WeakPolarHBondContact O-CG1 3.44Å; R421-I425 PolarHBondContact O-N 2.91Å; R421-I425 VanDerWaalsContact O-N 3.07Å; R421-F487 HydrophobicContact CB-CE2 4.27Å; R421-F487 HydrophobicContact CG-CE2 3.91Å; R421-I532 PolarHBondContact NH1-O 3.3Å
422	A	94.1	Very high	92.1	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-37.5	174.8	0	0	0	0	0	112.7	V417 P418 I419 N420 I426 V483 F487	V417-A422 HydrophobicContact CG1-CB 3.92Å; P418-A422 WeakPolarHBondContact O-CB 3.26Å; P418-A422 PolarHBondContact O-N 2.82Å; I419-A422 PolarHBondContact O-N 3.14Å; N420-A422 PolarHBondContact O-N 2.82Å; A422-I426 WeakPolarHBondContact O-CD1 3.41Å; A422-I426 VanDerWaalsContact O-CG1 3.23Å; A422-I426 WeakPolarHBondContact O-CG1 3.45Å; A422-I426 PolarHBondContact O-N 2.64Å; A422-I426 VanDerWaalsContact O-N 3.13Å; A422-V483 HydrophobicContact CB-CG1 3.78Å; A422-F487 HydrophobicContact CB-CD2 4.22Å
423	L	96.1	Very high	92.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-41.9	173.6	-67	173.1	0	0	0	111.3	I419 N420 I426 Y427 I448 L451 E452 L455	I419-L423 HydrophobicContact CG2-CD1 3.95Å; I419-L423 HydrophobicContact CG2-CG 4.22Å; I419-L423 VanDerWaalsContact O-CG 3.29Å; I419-L423 WeakPolarHBondContact O-CG 3.29Å; I419-L423 PolarHBondContact O-N 2.99Å; N420-L423 WeakPolarHBondContact O-CA 3.26Å; N420-L423 WeakPolarHBondContact O-CB 3.28Å; N420-L423 PolarHBondContact O-N 2.93Å; L423-I426 PolarHBondContact O-N 2.7Å; L423-Y427 WeakPolarHBondContact O-CB 3Å; L423-Y427 PolarHBondContact O-N 3.09Å; L423-I448 HydrophobicContact CB-CG2 4.29Å; L423-I448 HydrophobicContact CD1-CG2 4.49Å; L423-I448 HydrophobicContact CD2-CD1 4.25Å; L423-I448 HydrophobicContact CD2-CG2 4.29Å; L423-L451 HydrophobicContact CD2-CB 4.09Å; L423-L451 HydrophobicContact CD2-CD2 3.65Å; L423-L451 HydrophobicContact CD2-CG 3.69Å; L423-E452 HydrophobicContact CD1-CB 3.81Å; L423-E452 HydrophobicContact CD1-CG 4.15Å; L423-E452 HydrophobicContact CD2-CB 4.44Å; L423-L455 HydrophobicContact CD2-CD1 4.13Å
424	D	95.9	Very high	92.2	Very high	107 Å²	107	49.1 Å²	49.1	57%	0.572	26%	0.263	S	S	*	.	H	α-helix	trans	-62.6	-44.5	178.7	-59	-31.3	0	0	0	111.6	N420 R421 I426 Y427 A428	N420-D424 VanDerWaalsContact O-CG 3.27Å; N420-D424 PolarHBondContact O-N 3.01Å; R421-D424 PolarHBondContact O-N 3.27Å; D424-I426 VanDerWaalsContact C-N 3.32Å; D424-I426 PolarHBondContact O-N 3.26Å; D424-Y427 WeakPolarHBondContact O-CB 3.46Å; D424-Y427 PolarHBondContact O-N 3.21Å; D424-A428 PolarHBondContact O-N 3.26Å
425	I	93.5	Very high	92.2	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-46.1	175.3	-69.4	160.8	0	0	0	110.4	R421 Y427 A428 C429 F487	R421-I425 HydrophobicContact CG-CD1 4.16Å; R421-I425 WeakPolarHBondContact O-CD1 3.36Å; R421-I425 VanDerWaalsContact O-CG1 3.25Å; R421-I425 WeakPolarHBondContact O-CG1 3.44Å; R421-I425 PolarHBondContact O-N 2.91Å; R421-I425 VanDerWaalsContact O-N 3.07Å; I425-Y427 VanDerWaalsContact C-N 3.35Å; I425-A428 PolarHBondContact O-N 3.48Å; I425-C429 PolarHBondContact O-N 3.04Å; I425-C429 VanDerWaalsContact O-N 3.11Å; I425-C429 PolarHBondContact O-SG 3.28Å; I425-F487 HydrophobicContact CD1-CD2 3.78Å; I425-F487 HydrophobicContact CD1-CE2 4.33Å
426	I	95.7	Very high	92.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-37.4	-179.2	-68.7	168.1	0	0	0	110.9	L373 A422 L423 D424 C429 L430 I448 L451 V483 L486	L373-I426 HydrophobicContact CD1-CD1 4.42Å; L373-I426 HydrophobicContact CD1-CG2 4.47Å; L373-I426 HydrophobicContact CD2-CG2 3.74Å; A422-I426 WeakPolarHBondContact O-CD1 3.41Å; A422-I426 VanDerWaalsContact O-CG1 3.23Å; A422-I426 WeakPolarHBondContact O-CG1 3.45Å; A422-I426 PolarHBondContact O-N 2.64Å; A422-I426 VanDerWaalsContact O-N 3.13Å; L423-I426 PolarHBondContact O-N 2.7Å; D424-I426 VanDerWaalsContact C-N 3.32Å; D424-I426 PolarHBondContact O-N 3.26Å; I426-C429 WeakPolarHBondContact O-CB 3.45Å; I426-C429 PolarHBondContact O-N 3.38Å; I426-L430 HydrophobicContact CG2-CD1 3.9Å; I426-L430 HydrophobicContact CG2-CG 4.29Å; I426-L430 VanDerWaalsContact O-CG 3.27Å; I426-L430 WeakPolarHBondContact O-CG 3.44Å; I426-L430 PolarHBondContact O-N 2.98Å; I426-I448 HydrophobicContact CB-CD1 4.18Å; I426-I448 HydrophobicContact CG2-CD1 3.88Å; I426-L451 HydrophobicContact CB-CD2 4.45Å; I426-L451 HydrophobicContact CD1-CD2 3.61Å; I426-L451 HydrophobicContact CG2-CD2 4.01Å; I426-V483 HydrophobicContact CD1-CB 4.32Å; I426-V483 HydrophobicContact CD1-CG1 4.13Å; I426-V483 HydrophobicContact CD1-CG2 3.81Å; I426-L486 HydrophobicContact CD1-CD1 4.39Å; I426-L486 HydrophobicContact CG1-CD1 3.87Å
427	Y	96.6	Very high	92.1	Very high	81 Å²	81	55.3 Å²	55.3	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-47.6	176	-175.7	-96.5	0	0	0	110.9	L423 D424 I425 C429 L430 E431 P444 I448	L423-Y427 WeakPolarHBondContact O-CB 3Å; L423-Y427 PolarHBondContact O-N 3.09Å; D424-Y427 WeakPolarHBondContact O-CB 3.46Å; D424-Y427 PolarHBondContact O-N 3.21Å; I425-Y427 VanDerWaalsContact C-N 3.35Å; Y427-C429 VanDerWaalsContact C-N 3.3Å; Y427-C429 PolarHBondContact O-N 2.9Å; Y427-L430 WeakPolarHBondContact O-CB 3.07Å; Y427-L430 PolarHBondContact O-N 3.31Å; Y427-E431 HydrophobicContact CD1-CG 4.18Å; Y427-E431 HydrophobicContact CE1-CG 3.68Å; Y427-E431 WeakPolarHBondContact CE1-OE1 3.24Å; Y427-E431 WeakPolarHBondContact CE1-OE2 3.33Å; Y427-E431 PolarHBondContact O-N 3.47Å; Y427-E431 PolarHBondContact OH-OE1 2.76Å; Y427-P444 HydrophobicContact CD2-CB 4.1Å; Y427-P444 HydrophobicContact CE2-CB 3.79Å; Y427-I448 HydrophobicContact CD2-CG1 3.73Å; Y427-I448 HydrophobicContact CG-CG1 4.34Å
428	A	93.9	Very high	91.9	Very high	48 Å²	48	62.2 Å²	62.2	40%	0.397	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-39.4	175.3	0	0	0	0	0	112.5	D424 I425 L430 S432	D424-A428 PolarHBondContact O-N 3.26Å; I425-A428 PolarHBondContact O-N 3.48Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.07Å; A428-S432 WeakPolarHBondContact O-CB 3.45Å; A428-S432 PolarHBondContact O-N 2.9Å; A428-S432 VanDerWaalsContact O-N 3.09Å; A428-S432 PolarHBondContact O-OG 3.13Å
429	C	92.2	Very high	91.6	Very high	32 Å²	32	64.6 Å²	64.6	22%	0.216	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-37.4	173.8	-65.7	0	0	0	0	112.9	Y376 I425 I426 Y427	Y376-C429 HydrophobicContact CD1-CB 4.14Å; Y376-C429 HydrophobicContact CE1-CB 4.31Å; I425-C429 PolarHBondContact O-N 3.04Å; I425-C429 VanDerWaalsContact O-N 3.11Å; I425-C429 PolarHBondContact O-SG 3.28Å; I426-C429 WeakPolarHBondContact O-CB 3.45Å; I426-C429 PolarHBondContact O-N 3.38Å; Y427-C429 VanDerWaalsContact C-N 3.3Å; Y427-C429 PolarHBondContact O-N 2.9Å
430	L	93.3	Very high	91.5	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-71.9	-41.6	179.2	-69.8	165.2	0	0	0	111.6	L373 Y376 I426 Y427 A428 S432 D433 L436 P444 F447 I448	L373-L430 HydrophobicContact CD2-CD2 4.48Å; Y376-L430 HydrophobicContact CE2-CD2 4.07Å; I426-L430 HydrophobicContact CG2-CD1 3.9Å; I426-L430 HydrophobicContact CG2-CG 4.29Å; I426-L430 VanDerWaalsContact O-CG 3.27Å; I426-L430 WeakPolarHBondContact O-CG 3.44Å; I426-L430 PolarHBondContact O-N 2.98Å; Y427-L430 WeakPolarHBondContact O-CB 3.07Å; Y427-L430 PolarHBondContact O-N 3.31Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.07Å; L430-S432 VanDerWaalsContact C-N 3.3Å; L430-S432 PolarHBondContact O-N 3.3Å; L430-D433 PolarHBondContact O-N 3.28Å; L430-L436 HydrophobicContact CB-CD2 4.16Å; L430-L436 HydrophobicContact CD2-CD1 3.77Å; L430-L436 HydrophobicContact CD2-CD2 3.95Å; L430-P444 HydrophobicContact CB-CB 3.94Å; L430-P444 HydrophobicContact CB-CG 4.22Å; L430-F447 HydrophobicContact CD1-CB 4.13Å; L430-F447 HydrophobicContact CD1-CD1 3.46Å; L430-F447 VanDerWaalsContact CD1-CD1 3.46Å; L430-F447 HydrophobicContact CD1-CE1 4.13Å; L430-F447 HydrophobicContact CD1-CG 3.91Å; L430-F447 HydrophobicContact CD2-CD1 4.45Å; L430-I448 HydrophobicContact CD1-CD1 4.13Å; L430-I448 HydrophobicContact CD1-CG1 4.34Å
431	E	93.1	Very high	91.2	Very high	116 Å²	116	61.7 Å²	61.7	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-34.2	176.1	-76.4	-165.4	147.9	0	0	112.7	Y427 D433 P444	Y427-E431 HydrophobicContact CD1-CG 4.18Å; Y427-E431 HydrophobicContact CE1-CG 3.68Å; Y427-E431 WeakPolarHBondContact CE1-OE1 3.24Å; Y427-E431 WeakPolarHBondContact CE1-OE2 3.33Å; Y427-E431 PolarHBondContact O-N 3.47Å; Y427-E431 PolarHBondContact OH-OE1 2.76Å; E431-D433 PolarHBondContact O-N 3.14Å; E431-P444 HydrophobicContact CG-CB 4.44Å; E431-P444 HydrophobicContact CG-CG 4.49Å
432	S	90.4	Very high	91.1	Very high	98 Å²	98	58.1 Å²	58.1	69%	0.685	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.6	177.6	-54.1	0	0	0	0	113.3	A428 L430	A428-S432 WeakPolarHBondContact O-CB 3.45Å; A428-S432 PolarHBondContact O-N 2.9Å; A428-S432 VanDerWaalsContact O-N 3.09Å; A428-S432 PolarHBondContact O-OG 3.13Å; L430-S432 VanDerWaalsContact C-N 3.3Å; L430-S432 PolarHBondContact O-N 3.3Å
433	D	89.7	Confident	91	Very high	37 Å²	37	61.2 Å²	61.2	20%	0.198	33%	0.33	C	S	.	.			trans	-98.7	99.3	-174.2	-170.2	-15.7	0	0	0	112.4	Y376 L430 E431 D435 L436 R439	Y376-D433 HydrophobicContact CE1-CB 4.04Å; Y376-D433 WeakPolarHBondContact CE1-OD2 3.3Å; Y376-D433 VanDerWaalsContact CZ-OD2 3.3Å; Y376-D433 PolarHBondContact OH-OD2 3.37Å; L430-D433 PolarHBondContact O-N 3.28Å; E431-D433 PolarHBondContact O-N 3.14Å; D433-D435 PolarHBondContact O-N 3.42Å; D433-D435 WeakPolarHBondContact OD1-CA 3.21Å; D433-D435 PolarHBondContact OD1-N 2.87Å; D433-L436 HydrophobicContact CB-CB 4.28Å; D433-L436 WeakPolarHBondContact O-CB 3.37Å; D433-L436 PolarHBondContact O-N 3.35Å; D433-L436 PolarHBondContact OD1-N 3.41Å; D433-R439 IonicContact OD2-CZ 3.55Å; D433-R439 IonicContact OD2-NE 3.61Å; D433-R439 IonicContact OD2-NH2 3.99Å; D433-R439 PolarHBondContact OD2-NH2 3.33Å
434	L	87	Confident	90.8	Very high	161 Å²	161	62.1 Å²	62.1	84%	0.843	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.3	178.8	-57.7	177.5	0	0	0	113.1
435	D	87.8	Confident	90.7	Very high	100 Å²	100	60 Å²	60	54%	0.535	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.4	-177.4	-69.4	-32	0	0	0	112.8	D433 N437 L438	D433-D435 PolarHBondContact O-N 3.42Å; D433-D435 WeakPolarHBondContact OD1-CA 3.21Å; D433-D435 PolarHBondContact OD1-N 2.87Å; D435-N437 VanDerWaalsContact C-N 3.28Å; D435-N437 PolarHBondContact O-N 3.12Å; D435-L438 HydrophobicContact CB-CD1 4.25Å; D435-L438 WeakPolarHBondContact O-CB 3.31Å; D435-L438 PolarHBondContact O-N 2.93Å; D435-L438 VanDerWaalsContact O-N 3.11Å
436	L	88.1	Confident	90.6	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-55.3	-43.6	-178	178.2	60.6	0	0	0	112.1	I372 L430 D433 L438 R439 C440 P444	I372-L436 HydrophobicContact CG2-CD1 4.31Å; L430-L436 HydrophobicContact CB-CD2 4.16Å; L430-L436 HydrophobicContact CD2-CD1 3.77Å; L430-L436 HydrophobicContact CD2-CD2 3.95Å; D433-L436 HydrophobicContact CB-CB 4.28Å; D433-L436 WeakPolarHBondContact O-CB 3.37Å; D433-L436 PolarHBondContact O-N 3.35Å; D433-L436 PolarHBondContact OD1-N 3.41Å; L436-L438 PolarHBondContact O-N 3.33Å; L436-L438 VanDerWaalsContact O-N 3.16Å; L436-R439 PolarHBondContact O-N 3.36Å; L436-C440 HydrophobicContact CD1-CB 3.85Å; L436-C440 HydrophobicContact CG-CB 4.45Å; L436-C440 PolarHBondContact O-N 2.77Å; L436-P444 HydrophobicContact CD2-CG 3.86Å
437	N	85.9	Confident	90.6	Very high	119 Å²	119	60.3 Å²	60.3	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-61.7	-24.3	-178.1	-69.4	-22.2	0	0	0	113.3	D435 R439	D435-N437 VanDerWaalsContact C-N 3.28Å; D435-N437 PolarHBondContact O-N 3.12Å; N437-R439 VanDerWaalsContact C-N 3.32Å
438	L	86.9	Confident	90.6	Very high	145 Å²	145	57.5 Å²	57.5	76%	0.759	32%	0.321	S	S	*	.	H	α-helix	trans	-75.2	-24.8	176	-59.3	177.6	0	0	0	112.3	D435 L436	D435-L438 HydrophobicContact CB-CD1 4.25Å; D435-L438 WeakPolarHBondContact O-CB 3.31Å; D435-L438 PolarHBondContact O-N 2.93Å; D435-L438 VanDerWaalsContact O-N 3.11Å; L436-L438 PolarHBondContact O-N 3.33Å; L436-L438 VanDerWaalsContact O-N 3.16Å
439	R	85.9	Confident	90.6	Very high	75 Å²	75	61.3 Å²	61.3	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-108.1	-25.8	-172.8	-58.5	-177.7	-60.8	101	4.7	112.9	I372 Y376 D433 L436 N437	I372-R439 PolarHBondContact O-NH1 3.47Å; Y376-R439 PolarHBondContact OH-NH2 2.86Å; D433-R439 IonicContact OD2-CZ 3.55Å; D433-R439 IonicContact OD2-NE 3.61Å; D433-R439 IonicContact OD2-NH2 3.99Å; D433-R439 PolarHBondContact OD2-NH2 3.33Å; L436-R439 PolarHBondContact O-N 3.36Å; N437-R439 VanDerWaalsContact C-N 3.32Å
440	C	88.4	Confident	90.6	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.014	32%	0.318	C	S	.	.			trans	-140.5	127.7	-174.1	-176.7	0	0	0	0	109.9	I372 L436 L442	I372-C440 HydrophobicContact CD1-CB 3.9Å; I372-C440 HydrophobicContact CG1-CB 4.38Å; I372-C440 HydrophobicContact CG2-CB 4.09Å; L436-C440 HydrophobicContact CD1-CB 3.85Å; L436-C440 HydrophobicContact CG-CB 4.45Å; L436-C440 PolarHBondContact O-N 2.77Å; C440-L442 PolarHBondContact O-N 2.58Å; C440-L442 VanDerWaalsContact SG-CB 3.57Å; C440-L442 PolarHBondContact SG-N 2.96Å; C440-L442 VanDerWaalsContact SG-N 3.35Å
441	P	88.5	Confident	90.7	Very high	51 Å²	51	59.8 Å²	59.8	33%	0.331	32%	0.318	S	S	.	.	S	Bend	trans	-79.5	-1.7	175.2	34.6	-36.1	0	0	0	113.5	K319 L320 Y368	K319-P441 VanDerWaalsContact O-CB 3.3Å; K319-P441 WeakPolarHBondContact O-CB 3.4Å; L320-P441 HydrophobicContact CD2-CG 4.14Å; Y368-P441 VanDerWaalsContact OH-CD 3.27Å; Y368-P441 WeakPolarHBondContact OH-CD 3.29Å
442	L	89.9	Confident	90.8	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.308	C	S	.	.	S	Bend	trans	-97.9	140.1	-178.2	-55.6	178	0	0	0	110	L316 K319 L320 C440 E446	L316-L442 HydrophobicContact CB-CD2 4.13Å; L316-L442 HydrophobicContact CD1-CD1 4.36Å; L316-L442 HydrophobicContact CD1-CD2 3.93Å; L316-L442 HydrophobicContact CD2-CD2 4Å; L316-L442 HydrophobicContact CG-CD2 4.23Å; K319-L442 HydrophobicContact CB-CD2 4.48Å; L320-L442 HydrophobicContact CD2-CD1 4.26Å; L320-L442 HydrophobicContact CD2-CD2 3.95Å; L320-L442 HydrophobicContact CD2-CG 4.13Å; L320-L442 HydrophobicContact CG-CD2 4.1Å; C440-L442 PolarHBondContact O-N 2.58Å; C440-L442 VanDerWaalsContact SG-CB 3.57Å; C440-L442 PolarHBondContact SG-N 2.96Å; C440-L442 VanDerWaalsContact SG-N 3.35Å; L442-E446 HydrophobicContact CB-CB 4.21Å
443	D	91.2	Very high	90.8	Very high	67 Å²	67	53.8 Å²	53.8	36%	0.358	28%	0.28	S	S	.	.			trans	-70.7	158.5	173.2	-56	-26	0	0	0	109.9	K319 S445 E446 F447	K319-D443 VanDerWaalsContact NZ-CG 3.28Å; K319-D443 IonicContact NZ-OD1 2.67Å; K319-D443 IonicContact NZ-OD2 2.83Å; K319-D443 PolarHBondContact NZ-OD2 3.06Å; D443-S445 VanDerWaalsContact C-N 3.25Å; D443-S445 PolarHBondContact O-N 3.24Å; D443-S445 VanDerWaalsContact O-N 3.14Å; D443-E446 HydrophobicContact CB-CG 4.46Å; D443-E446 PolarHBondContact N-OE2 3.28Å; D443-E446 PolarHBondContact O-N 3.49Å; D443-E446 VanDerWaalsContact O-N 3.07Å; D443-F447 PolarHBondContact O-N 3.45Å
444	P	92.9	Very high	90.9	Very high	28 Å²	28	52 Å²	52	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-50.3	-42	-179.9	-30.3	35.8	0	0	0	114.2	Y427 L430 E431 L436 F447 I448	Y427-P444 HydrophobicContact CD2-CB 4.1Å; Y427-P444 HydrophobicContact CE2-CB 3.79Å; L430-P444 HydrophobicContact CB-CB 3.94Å; L430-P444 HydrophobicContact CB-CG 4.22Å; E431-P444 HydrophobicContact CG-CB 4.44Å; E431-P444 HydrophobicContact CG-CG 4.49Å; L436-P444 HydrophobicContact CD2-CG 3.86Å; P444-F447 WeakPolarHBondContact O-CB 3.32Å; P444-F447 PolarHBondContact O-N 2.81Å; P444-I448 WeakPolarHBondContact O-CG1 3.42Å; P444-I448 PolarHBondContact O-N 2.75Å
445	S	93.2	Very high	91.1	Very high	61 Å²	61	44.5 Å²	44.5	43%	0.427	23%	0.231	S	C	.	.	H	α-helix	trans	-67.6	-38.4	-179.8	63.9	0	0	0	0	113.2	D443 K449	D443-S445 VanDerWaalsContact C-N 3.25Å; D443-S445 PolarHBondContact O-N 3.24Å; D443-S445 VanDerWaalsContact O-N 3.14Å; S445-K449 PolarHBondContact O-N 3.49Å
446	E	92.8	Very high	91.2	Very high	37 Å²	37	44.3 Å²	44.3	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-39.2	176.1	-64.1	174.1	150.6	0	0	111.2	L316 K319 L442 D443 K449 C450	L316-E446 HydrophobicContact CD2-CB 3.98Å; L316-E446 HydrophobicContact CD2-CG 3.86Å; K319-E446 WeakPolarHBondContact CD-OE2 3.2Å; K319-E446 IonicContact NZ-OE1 3.6Å; K319-E446 PolarHBondContact NZ-OE1 3.48Å; K319-E446 IonicContact NZ-OE2 2.84Å; K319-E446 PolarHBondContact NZ-OE2 3.02Å; L442-E446 HydrophobicContact CB-CB 4.21Å; D443-E446 HydrophobicContact CB-CG 4.46Å; D443-E446 PolarHBondContact N-OE2 3.28Å; D443-E446 PolarHBondContact O-N 3.49Å; D443-E446 VanDerWaalsContact O-N 3.07Å; E446-K449 PolarHBondContact O-N 3.49Å; E446-C450 PolarHBondContact O-N 2.87Å; E446-C450 PolarHBondContact O-SG 2.94Å
447	F	94.3	Very high	90.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-48.2	173.7	-171.9	-78.5	0	0	0	110.7	L369 I372 L373 L430 D443 P444 K449 C450 L451	L369-F447 HydrophobicContact CB-CE2 4.32Å; L369-F447 HydrophobicContact CB-CZ 3.86Å; L369-F447 HydrophobicContact CD2-CD2 3.79Å; L369-F447 HydrophobicContact CD2-CE1 4.21Å; L369-F447 HydrophobicContact CD2-CE2 3.36Å; L369-F447 HydrophobicContact CD2-CG 4.36Å; L369-F447 HydrophobicContact CD2-CZ 3.59Å; L369-F447 HydrophobicContact CG-CE2 4.41Å; L369-F447 HydrophobicContact CG-CZ 4.26Å; I372-F447 HydrophobicContact CB-CE2 3.84Å; I372-F447 HydrophobicContact CB-CZ 4.33Å; I372-F447 HydrophobicContact CD1-CD2 4.49Å; I372-F447 HydrophobicContact CD1-CE2 3.86Å; I372-F447 HydrophobicContact CG1-CE2 4.48Å; I372-F447 HydrophobicContact CG2-CD2 4.38Å; I372-F447 HydrophobicContact CG2-CE2 3.62Å; I372-F447 HydrophobicContact CG2-CZ 4.22Å; L373-F447 HydrophobicContact CD1-CE1 4.08Å; L373-F447 HydrophobicContact CD1-CZ 4.13Å; L373-F447 HydrophobicContact CD2-CE1 3.77Å; L373-F447 HydrophobicContact CD2-CZ 3.83Å; L373-F447 HydrophobicContact CG-CE1 3.97Å; L373-F447 HydrophobicContact CG-CZ 3.7Å; L430-F447 HydrophobicContact CD1-CB 4.13Å; L430-F447 HydrophobicContact CD1-CD1 3.46Å; L430-F447 VanDerWaalsContact CD1-CD1 3.46Å; L430-F447 HydrophobicContact CD1-CE1 4.13Å; L430-F447 HydrophobicContact CD1-CG 3.91Å; L430-F447 HydrophobicContact CD2-CD1 4.45Å; D443-F447 PolarHBondContact O-N 3.45Å; P444-F447 WeakPolarHBondContact O-CB 3.32Å; P444-F447 PolarHBondContact O-N 2.81Å; F447-K449 PolarHBondContact O-N 3.22Å; F447-C450 WeakPolarHBondContact O-CB 3.42Å; F447-C450 PolarHBondContact O-N 3.37Å; F447-C450 VanDerWaalsContact O-N 3.16Å; F447-L451 HydrophobicContact CE1-CB 4.4Å; F447-L451 HydrophobicContact CE1-CD2 4.3Å; F447-L451 WeakPolarHBondContact O-CB 3.16Å; F447-L451 PolarHBondContact O-N 2.86Å
448	I	96.1	Very high	90.9	Very high	22 Å²	22	39 Å²	39	11%	0.113	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-41.4	177.3	-71.8	-54.5	0	0	0	111.7	L423 I426 Y427 L430 P444 C450 L451 E452	L423-I448 HydrophobicContact CB-CG2 4.29Å; L423-I448 HydrophobicContact CD1-CG2 4.49Å; L423-I448 HydrophobicContact CD2-CD1 4.25Å; L423-I448 HydrophobicContact CD2-CG2 4.29Å; I426-I448 HydrophobicContact CB-CD1 4.18Å; I426-I448 HydrophobicContact CG2-CD1 3.88Å; Y427-I448 HydrophobicContact CD2-CG1 3.73Å; Y427-I448 HydrophobicContact CG-CG1 4.34Å; L430-I448 HydrophobicContact CD1-CD1 4.13Å; L430-I448 HydrophobicContact CD1-CG1 4.34Å; P444-I448 WeakPolarHBondContact O-CG1 3.42Å; P444-I448 PolarHBondContact O-N 2.75Å; I448-C450 VanDerWaalsContact C-N 3.31Å; I448-C450 PolarHBondContact O-N 3.17Å; I448-L451 HydrophobicContact CD1-CD2 4.24Å; I448-L451 PolarHBondContact O-N 2.62Å; I448-L451 VanDerWaalsContact O-N 3.17Å; I448-E452 VanDerWaalsContact O-CB 3.23Å; I448-E452 WeakPolarHBondContact O-CB 3.37Å; I448-E452 PolarHBondContact O-N 3.19Å
449	K	94	Very high	91	Very high	129 Å²	129	32.6 Å²	32.6	56%	0.561	16%	0.162	S	C	*	.	H	α-helix	trans	-57.7	-42.4	172.9	-82.1	175.5	178.8	167.9	0	112.6	S445 E446 F447 L453	S445-K449 PolarHBondContact O-N 3.49Å; E446-K449 PolarHBondContact O-N 3.49Å; F447-K449 PolarHBondContact O-N 3.22Å; K449-L453 PolarHBondContact O-N 3.1Å; K449-L453 VanDerWaalsContact O-N 3.1Å
450	C	93.6	Very high	91.2	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-39.2	176.8	-67	0	0	0	0	112.2	L316 L365 L369 E446 F447 I448 C454	L316-C450 WeakPolarHBondContact CD1-SG 3.2Å; L365-C450 HydrophobicContact CD1-CB 4.32Å; L365-C450 HydrophobicContact CD2-CB 4.31Å; L369-C450 HydrophobicContact CD1-CB 3.99Å; L369-C450 HydrophobicContact CD2-CB 4.12Å; E446-C450 PolarHBondContact O-N 2.87Å; E446-C450 PolarHBondContact O-SG 2.94Å; F447-C450 WeakPolarHBondContact O-CB 3.42Å; F447-C450 PolarHBondContact O-N 3.37Å; F447-C450 VanDerWaalsContact O-N 3.16Å; I448-C450 VanDerWaalsContact C-N 3.31Å; I448-C450 PolarHBondContact O-N 3.17Å; C450-C454 PolarHBondContact O-N 3.28Å; C450-C454 VanDerWaalsContact O-N 3.1Å; C450-C454 PolarHBondContact O-SG 3.34Å
451	L	95.2	Very high	91.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.1	-46.7	178.7	-178.7	60.2	0	0	0	111.3	L369 L373 L423 I426 F447 I448 L453 C454 L455 V479 V483	L369-L451 HydrophobicContact CD1-CB 4.16Å; L369-L451 HydrophobicContact CD1-CD1 4.29Å; L373-L451 HydrophobicContact CD1-CD2 4.36Å; L423-L451 HydrophobicContact CD2-CB 4.09Å; L423-L451 HydrophobicContact CD2-CD2 3.65Å; L423-L451 HydrophobicContact CD2-CG 3.69Å; I426-L451 HydrophobicContact CB-CD2 4.45Å; I426-L451 HydrophobicContact CD1-CD2 3.61Å; I426-L451 HydrophobicContact CG2-CD2 4.01Å; F447-L451 HydrophobicContact CE1-CB 4.4Å; F447-L451 HydrophobicContact CE1-CD2 4.3Å; F447-L451 WeakPolarHBondContact O-CB 3.16Å; F447-L451 PolarHBondContact O-N 2.86Å; I448-L451 HydrophobicContact CD1-CD2 4.24Å; I448-L451 PolarHBondContact O-N 2.62Å; I448-L451 VanDerWaalsContact O-N 3.17Å; L451-L453 VanDerWaalsContact C-N 3.31Å; L451-L453 PolarHBondContact O-N 3.1Å; L451-C454 WeakPolarHBondContact O-CA 3.38Å; L451-C454 WeakPolarHBondContact O-CB 3.37Å; L451-C454 PolarHBondContact O-N 3.37Å; L451-L455 HydrophobicContact CD1-CD1 4.3Å; L451-L455 HydrophobicContact CD1-CG 4.22Å; L451-L455 HydrophobicContact CG-CD1 4.13Å; L451-L455 HydrophobicContact CG-CG 4.4Å; L451-L455 WeakPolarHBondContact O-CG 3.29Å; L451-L455 PolarHBondContact O-N 2.77Å; L451-V479 HydrophobicContact CD1-CB 4.46Å; L451-V479 HydrophobicContact CD1-CG1 4.06Å; L451-V479 HydrophobicContact CD1-CG2 3.61Å; L451-V483 HydrophobicContact CD1-CG2 4.22Å
452	E	94.8	Very high	91.3	Very high	71 Å²	71	28.7 Å²	28.7	33%	0.332	14%	0.143	S	C	.	.	H	α-helix	trans	-52.8	-49.5	173.8	173.2	172.5	-163.1	0	0	111.1	L423 I448 C454 L455 R456	L423-E452 HydrophobicContact CD1-CB 3.81Å; L423-E452 HydrophobicContact CD1-CG 4.15Å; L423-E452 HydrophobicContact CD2-CB 4.44Å; I448-E452 VanDerWaalsContact O-CB 3.23Å; I448-E452 WeakPolarHBondContact O-CB 3.37Å; I448-E452 PolarHBondContact O-N 3.19Å; E452-C454 VanDerWaalsContact C-N 3.29Å; E452-C454 PolarHBondContact O-N 3.43Å; E452-L455 PolarHBondContact O-N 2.8Å; E452-R456 HydrophobicContact CG-CG 4.4Å; E452-R456 VanDerWaalsContact CG-NH1 3.31Å; E452-R456 WeakPolarHBondContact O-CB 3.17Å; E452-R456 PolarHBondContact O-N 3.4Å; E452-R456 IonicContact OE1-CZ 2.79Å; E452-R456 IonicContact OE1-NE 3.18Å; E452-R456 IonicContact OE1-NH1 2.58Å; E452-R456 PolarHBondContact OE1-NH1 3.4Å
453	L	91.3	Very high	91.1	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-54.6	-48.2	174.2	177.3	72.3	0	0	0	110.2	L305 T309 I312 T362 L365 K449 L451 L455 S457	L305-L453 HydrophobicContact CD1-CD1 4.14Å; T309-L453 HydrophobicContact CG2-CD2 3.97Å; I312-L453 HydrophobicContact CD1-CB 4.46Å; I312-L453 HydrophobicContact CD1-CD2 4.24Å; T362-L453 HydrophobicContact CG2-CD2 4.46Å; T362-L453 HydrophobicContact CG2-CG 4.37Å; L365-L453 HydrophobicContact CD2-CD2 4.13Å; K449-L453 PolarHBondContact O-N 3.1Å; K449-L453 VanDerWaalsContact O-N 3.1Å; L451-L453 VanDerWaalsContact C-N 3.31Å; L451-L453 PolarHBondContact O-N 3.1Å; L453-L455 VanDerWaalsContact C-N 3.32Å; L453-L455 PolarHBondContact O-N 3.04Å; L453-S457 WeakPolarHBondContact O-CB 3.42Å; L453-S457 PolarHBondContact O-N 3.34Å; L453-S457 PolarHBondContact O-OG 3.48Å
454	C	91.1	Very high	90.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-35	-179.4	-68.9	0	0	0	0	113.6	L365 A366 C450 L451 E452 S457	L365-C454 VanDerWaalsContact CG-SG 3.58Å; A366-C454 HydrophobicContact CB-CB 4.37Å; C450-C454 PolarHBondContact O-N 3.28Å; C450-C454 VanDerWaalsContact O-N 3.1Å; C450-C454 PolarHBondContact O-SG 3.34Å; L451-C454 WeakPolarHBondContact O-CA 3.38Å; L451-C454 WeakPolarHBondContact O-CB 3.37Å; L451-C454 PolarHBondContact O-N 3.37Å; E452-C454 VanDerWaalsContact C-N 3.29Å; E452-C454 PolarHBondContact O-N 3.43Å; C454-S457 PolarHBondContact O-OG 2.86Å
455	L	91.6	Very high	90.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-80	-43.1	-177.8	-63.4	-178.9	0	0	0	111.7	I419 L423 L451 E452 L453 T458 I473 V479 V483	I419-L455 HydrophobicContact CD1-CB 4.4Å; I419-L455 HydrophobicContact CG2-CB 4.13Å; I419-L455 HydrophobicContact CG2-CD1 4.08Å; L423-L455 HydrophobicContact CD2-CD1 4.13Å; L451-L455 HydrophobicContact CD1-CD1 4.3Å; L451-L455 HydrophobicContact CD1-CG 4.22Å; L451-L455 HydrophobicContact CG-CD1 4.13Å; L451-L455 HydrophobicContact CG-CG 4.4Å; L451-L455 WeakPolarHBondContact O-CG 3.29Å; L451-L455 PolarHBondContact O-N 2.77Å; E452-L455 PolarHBondContact O-N 2.8Å; L453-L455 VanDerWaalsContact C-N 3.32Å; L453-L455 PolarHBondContact O-N 3.04Å; L455-T458 PolarHBondContact O-OG1 3.25Å; L455-I473 HydrophobicContact CD1-CG2 4.28Å; L455-I473 HydrophobicContact CD2-CB 4.31Å; L455-I473 HydrophobicContact CD2-CG2 3.79Å; L455-I473 HydrophobicContact CG-CG2 4.46Å; L455-V479 HydrophobicContact CD2-CG1 3.98Å; L455-V483 HydrophobicContact CD1-CG1 4.25Å; L455-V483 HydrophobicContact CD1-CG2 4.48Å; L455-V483 HydrophobicContact CD2-CG2 4.41Å
456	R	88.8	Confident	90.5	Very high	97 Å²	97	29.8 Å²	29.8	37%	0.366	15%	0.149	S	C	.	.	H	α-helix	trans	-79.6	-18.8	-178.1	-69.1	-174.2	154.8	99.1	9	114.2	I419 N420 E452 T458	I419-R456 HydrophobicContact CD1-CG 4.1Å; I419-R456 HydrophobicContact CG2-CG 4.49Å; N420-R456 PolarHBondContact OD1-NH1 3.21Å; N420-R456 PolarHBondContact OD1-NH2 2.93Å; E452-R456 HydrophobicContact CG-CG 4.4Å; E452-R456 VanDerWaalsContact CG-NH1 3.31Å; E452-R456 WeakPolarHBondContact O-CB 3.17Å; E452-R456 PolarHBondContact O-N 3.4Å; E452-R456 IonicContact OE1-CZ 2.79Å; E452-R456 IonicContact OE1-NE 3.18Å; E452-R456 IonicContact OE1-NH1 2.58Å; E452-R456 PolarHBondContact OE1-NH1 3.4Å; R456-T458 PolarHBondContact O-N 3.06Å
457	S	82.8	Confident	90.4	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.07	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	19.7	-176.7	63.1	0	0	0	0	115	T362 L453 C454 L459	T362-S457 VanDerWaalsContact CG2-OG 3.31Å; T362-S457 WeakPolarHBondContact CG2-OG 3.31Å; T362-S457 PolarHBondContact OG1-OG 2.98Å; L453-S457 WeakPolarHBondContact O-CB 3.42Å; L453-S457 PolarHBondContact O-N 3.34Å; L453-S457 PolarHBondContact O-OG 3.48Å; C454-S457 PolarHBondContact O-OG 2.86Å; S457-L459 PolarHBondContact O-N 3.44Å
458	T	86.5	Confident	90.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	16%	0.162	C	C	.	.			trans	-73.4	92.4	-177.6	-61.1	0	0	0	0	111	F357 L455 R456 F460 Q469 A474	F357-T458 HydrophobicContact CE2-CG2 4.37Å; F357-T458 HydrophobicContact CZ-CG2 3.72Å; L455-T458 PolarHBondContact O-OG1 3.25Å; R456-T458 PolarHBondContact O-N 3.06Å; T458-F460 HydrophobicContact CG2-CD1 4.34Å; T458-Q469 HydrophobicContact CG2-CB 3.83Å; T458-Q469 PolarHBondContact O-N 2.84Å; T458-A474 HydrophobicContact CG2-CB 3.65Å
459	L	88.9	Confident	89.9	Confident	11 Å²	11	33 Å²	33	6%	0.058	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.7	173	-63.1	177.4	0	0	0	110.5	I293 T301 L302 L305 C336 S457 L466 Y467 R468	I293-L459 HydrophobicContact CD1-CD2 3.63Å; T301-L459 HydrophobicContact CG2-CD1 4.02Å; T301-L459 HydrophobicContact CG2-CD2 4.42Å; L302-L459 HydrophobicContact CD2-CD1 3.81Å; L305-L459 HydrophobicContact CD2-CD1 3.77Å; L305-L459 HydrophobicContact CD2-CG 4.4Å; C336-L459 WeakPolarHBondContact CB-O 3.38Å; C336-L459 PolarHBondContact N-O 2.94Å; C336-L459 PolarHBondContact SG-O 3.18Å; C336-L459 VanDerWaalsContact SG-O 3.34Å; S457-L459 PolarHBondContact O-N 3.44Å; L459-L466 HydrophobicContact CB-CD1 4.37Å; L459-Y467 WeakPolarHBondContact CA-O 3.14Å; L459-R468 HydrophobicContact CD2-CB 3.66Å; L459-R468 HydrophobicContact CD2-CG 4.03Å
460	F	90	Very high	89.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.9	177.5	61.3	-100.2	0	0	0	113.4	L285 Y290 C336 F338 V355 T458 Y467	L285-F460 HydrophobicContact CD2-CE2 3.83Å; L285-F460 HydrophobicContact CD2-CZ 3.81Å; Y290-F460 AromaticContact CD1-CE1 3.62Å; Y290-F460 HydrophobicContact CD1-CE1 3.62Å; Y290-F460 AromaticContact CD1-CZ 3.49Å; Y290-F460 HydrophobicContact CD1-CZ 3.49Å; Y290-F460 VanDerWaalsContact CD1-CZ 3.49Å; Y290-F460 AromaticContact CE1-CE1 3.76Å; Y290-F460 HydrophobicContact CE1-CE1 3.76Å; Y290-F460 AromaticContact CE1-CZ 3.77Å; Y290-F460 HydrophobicContact CE1-CZ 3.77Å; Y290-F460 HydrophobicContact CG-CZ 4.13Å; C336-F460 HydrophobicContact CB-CB 3.92Å; C336-F460 CarbonylContact O-C 3.55Å; C336-F460 WeakPolarHBondContact O-CA 2.89Å; C336-F460 WeakPolarHBondContact O-CB 2.85Å; F338-F460 HydrophobicContact CB-CB 4.33Å; F338-F460 HydrophobicContact CB-CD2 3.35Å; F338-F460 HydrophobicContact CB-CE2 3.81Å; F338-F460 HydrophobicContact CB-CG 4.03Å; F338-F460 HydrophobicContact CD1-CE2 4.42Å; F338-F460 HydrophobicContact CD2-CD2 4.07Å; F338-F460 AromaticContact CD2-CE2 3.81Å; F338-F460 HydrophobicContact CD2-CE2 3.81Å; F338-F460 HydrophobicContact CD2-CZ 4.15Å; F338-F460 HydrophobicContact CE2-CE2 4.39Å; F338-F460 HydrophobicContact CE2-CZ 4.45Å; F338-F460 AromaticContact CG-CD2 3.88Å; F338-F460 HydrophobicContact CG-CD2 3.88Å; F338-F460 AromaticContact CG-CE2 3.79Å; F338-F460 HydrophobicContact CG-CE2 3.79Å; V355-F460 HydrophobicContact CG1-CB 3.91Å; V355-F460 HydrophobicContact CG1-CD1 4.35Å; V355-F460 HydrophobicContact CG1-CG 4.43Å; V355-F460 HydrophobicContact CG2-CD1 3.81Å; V355-F460 HydrophobicContact CG2-CE1 4.2Å; V355-F460 HydrophobicContact CG2-CG 4.22Å; T458-F460 HydrophobicContact CG2-CD1 4.34Å; F460-Y467 HydrophobicContact CD2-CD2 4.34Å; F460-Y467 HydrophobicContact CD2-CG 4.46Å; F460-Y467 VanDerWaalsContact CE2-CB 3.42Å; F460-Y467 AromaticContact CE2-CD2 4Å; F460-Y467 HydrophobicContact CE2-CD2 4Å; F460-Y467 AromaticContact CE2-CG 3.87Å; F460-Y467 HydrophobicContact CE2-CG 3.87Å; F460-Y467 HydrophobicContact CZ-CG 4.35Å; F460-Y467 PolarHBondContact N-O 2.96Å; F460-Y467 PolarHBondContact O-N 2.91Å
461	I	89.8	Confident	89.2	Confident	43 Å²	43	38 Å²	38	22%	0.221	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.3	172.6	-68.9	-177.9	0	0	0	110.3	P335 C336 F338 D465 L466	P335-I461 HydrophobicContact CB-CD1 4.17Å; P335-I461 HydrophobicContact CB-CG1 3.93Å; P335-I461 HydrophobicContact CG-CD1 3.27Å; P335-I461 HydrophobicContact CG-CG1 3.59Å; C336-I461 PolarHBondContact O-N 3.22Å; F338-I461 PolarHBondContact N-O 3.3Å; I461-D465 WeakPolarHBondContact CA-O 3.26Å; I461-L466 HydrophobicContact CG1-CD1 3.85Å
462	F	89.2	Confident	88.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	118.9	163.6	179.4	-112.5	0	0	0	110.1	A281 K282 L285 F338 G464 D465 Y467	A281-F462 HydrophobicContact CB-CE1 3.64Å; A281-F462 HydrophobicContact CB-CE2 4.14Å; A281-F462 HydrophobicContact CB-CZ 3.29Å; K282-F462 HydrophobicContact CG-CE1 4.39Å; L285-F462 HydrophobicContact CD1-CB 4.26Å; L285-F462 HydrophobicContact CD1-CD1 3.68Å; L285-F462 HydrophobicContact CD1-CE1 4.38Å; L285-F462 HydrophobicContact CD1-CG 4.17Å; F338-F462 HydrophobicContact CB-CB 4.18Å; F338-F462 HydrophobicContact CD1-CB 4.01Å; F338-F462 AromaticContact CD1-CD2 3.67Å; F338-F462 HydrophobicContact CD1-CD2 3.67Å; F338-F462 HydrophobicContact CD1-CE2 4.34Å; F338-F462 AromaticContact CD1-CG 3.89Å; F338-F462 HydrophobicContact CD1-CG 3.89Å; F338-F462 HydrophobicContact CE1-CD2 4.43Å; F462-G464 PolarHBondContact O-N 2.75Å; F462-D465 PolarHBondContact N-O 2.99Å; F462-D465 PolarHBondContact O-N 2.59Å; F462-D465 VanDerWaalsContact O-N 3.12Å; F462-Y467 HydrophobicContact CB-CD2 4.2Å; F462-Y467 HydrophobicContact CB-CE2 3.95Å
463	R	85.6	Confident	88.8	Confident	80 Å²	80	34.9 Å²	34.9	30%	0.302	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	32.7	177.6	-62.6	-54.5	-166.2	-141.2	5.2	115.2	E278 D465 D696	E278-R463 IonicContact OE1-CZ 3.73Å; E278-R463 IonicContact OE1-NE 2.85Å; E278-R463 PolarHBondContact OE1-NE 3.24Å; E278-R463 IonicContact OE1-NH2 3.98Å; E278-R463 PolarHBondContact OE1-NH2 2.87Å; R463-D465 VanDerWaalsContact C-N 3.29Å; R463-D696 IonicContact CZ-OD1 2.58Å; R463-D696 PolarHBondContact N-OD2 3.38Å; R463-D696 IonicContact NH1-OD1 2.77Å; R463-D696 PolarHBondContact NH1-OD1 3.13Å
464	G	84.3	Confident	88.6	Confident	53 Å²	53	34.2 Å²	34.2	55%	0.546	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	-25.2	-179.7	0	0	0	0	0	112.9	F462	F462-G464 PolarHBondContact O-N 2.75Å
465	D	89	Confident	88.2	Confident	45 Å²	45	37.3 Å²	37.3	24%	0.241	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.2	-179	-60.4	-32.1	0	0	0	110.9	L292 I461 F462 R463 Y467	L292-D465 HydrophobicContact CD1-CB 3.72Å; I461-D465 WeakPolarHBondContact CA-O 3.26Å; F462-D465 PolarHBondContact N-O 2.99Å; F462-D465 PolarHBondContact O-N 2.59Å; F462-D465 VanDerWaalsContact O-N 3.12Å; R463-D465 VanDerWaalsContact C-N 3.29Å; D465-Y467 HydrophobicContact CB-CD2 4.4Å; D465-Y467 HydrophobicContact CB-CE2 3.61Å; D465-Y467 WeakPolarHBondContact O-CD2 3.3Å
466	L	90.4	Very high	87.8	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.2	176.5	-174.6	70.9	0	0	0	110.2	I293 L302 P335 L459 I461	I293-L466 HydrophobicContact CB-CB 4.28Å; I293-L466 HydrophobicContact CB-CD2 4.22Å; I293-L466 HydrophobicContact CB-CG 4.36Å; I293-L466 HydrophobicContact CD1-CD2 3.73Å; I293-L466 HydrophobicContact CD1-CG 3.97Å; I293-L466 HydrophobicContact CG2-CD2 4.2Å; I293-L466 PolarHBondContact N-O 3.02Å; L302-L466 HydrophobicContact CG-CD2 4.29Å; P335-L466 HydrophobicContact CB-CD1 3.93Å; L459-L466 HydrophobicContact CB-CD1 4.37Å; I461-L466 HydrophobicContact CG1-CD1 3.85Å
467	Y	91.3	Very high	87.8	Confident	18 Å²	18	34 Å²	34	7%	0.071	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.1	177.2	-65.3	-93.5	0	0	0	111.4	L285 E291 L292 L459 F460 F462 D465	L285-Y467 HydrophobicContact CB-CE1 4.17Å; L285-Y467 HydrophobicContact CD1-CD1 4.39Å; L285-Y467 HydrophobicContact CD1-CD2 4.27Å; L285-Y467 HydrophobicContact CD1-CE1 3.97Å; L285-Y467 HydrophobicContact CD1-CE2 3.82Å; E291-Y467 CarbonylContact O-C 3.54Å; E291-Y467 WeakPolarHBondContact O-CA 3.23Å; L292-Y467 HydrophobicContact CB-CD1 4.18Å; L292-Y467 HydrophobicContact CB-CE1 3.88Å; L292-Y467 HydrophobicContact CD1-CD1 4.31Å; L292-Y467 HydrophobicContact CD1-CE1 3.81Å; L292-Y467 HydrophobicContact CD1-CE2 4.24Å; L292-Y467 HydrophobicContact CG-CE1 4.4Å; L459-Y467 WeakPolarHBondContact CA-O 3.14Å; F460-Y467 HydrophobicContact CD2-CD2 4.34Å; F460-Y467 HydrophobicContact CD2-CG 4.46Å; F460-Y467 VanDerWaalsContact CE2-CB 3.42Å; F460-Y467 AromaticContact CE2-CD2 4Å; F460-Y467 HydrophobicContact CE2-CD2 4Å; F460-Y467 AromaticContact CE2-CG 3.87Å; F460-Y467 HydrophobicContact CE2-CG 3.87Å; F460-Y467 HydrophobicContact CZ-CG 4.35Å; F460-Y467 PolarHBondContact N-O 2.96Å; F460-Y467 PolarHBondContact O-N 2.91Å; F462-Y467 HydrophobicContact CB-CD2 4.2Å; F462-Y467 HydrophobicContact CB-CE2 3.95Å; D465-Y467 HydrophobicContact CB-CD2 4.4Å; D465-Y467 HydrophobicContact CB-CE2 3.61Å; D465-Y467 WeakPolarHBondContact O-CD2 3.3Å
468	R	91.1	Very high	88.3	Confident	99 Å²	99	35.3 Å²	35.3	37%	0.374	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.1	170.2	175.5	168	62.7	178.9	0.9	109.8	Y290 E291 I293 L459	Y290-R468 CarbonylContact C-O 3.52Å; Y290-R468 WeakPolarHBondContact CA-O 3.5Å; E291-R468 HydrophobicContact CB-CB 4.46Å; E291-R468 VanDerWaalsContact CD-NH2 3.29Å; E291-R468 PolarHBondContact N-O 3.41Å; E291-R468 PolarHBondContact O-N 2.95Å; E291-R468 IonicContact OE1-NH2 3.57Å; E291-R468 PolarHBondContact OE1-NH2 2.76Å; E291-R468 IonicContact OE2-CZ 3.82Å; E291-R468 IonicContact OE2-NE 3.11Å; E291-R468 PolarHBondContact OE2-NE 2.92Å; E291-R468 IonicContact OE2-NH2 3.28Å; E291-R468 PolarHBondContact OE2-NH2 3.18Å; I293-R468 HydrophobicContact CD1-CB 3.92Å; I293-R468 HydrophobicContact CG1-CB 4.41Å; L459-R468 HydrophobicContact CD2-CB 3.66Å; L459-R468 HydrophobicContact CD2-CG 4.03Å
469	Q	89.6	Confident	88.6	Confident	11 Å²	11	35.2 Å²	35.2	5%	0.051	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.1	166.9	-175.8	172.6	-4.4	0	0	108.6	Y290 T458 E471 I473	Y290-Q469 HydrophobicContact CD1-CB 4.06Å; Y290-Q469 HydrophobicContact CD1-CG 4.21Å; Y290-Q469 HydrophobicContact CE1-CB 4.2Å; Y290-Q469 HydrophobicContact CE1-CG 4.05Å; T458-Q469 HydrophobicContact CG2-CB 3.83Å; T458-Q469 PolarHBondContact O-N 2.84Å; Q469-E471 WeakPolarHBondContact CG-O 3.31Å; Q469-E471 PolarHBondContact NE2-O 2.77Å; Q469-I473 PolarHBondContact NE2-O 2.93Å
470	K	87.1	Confident	88.8	Confident	122 Å²	122	34.8 Å²	34.8	53%	0.53	18%	0.183	S	C	.	.			trans	-84	-37.9	-177.4	-71.6	-175.4	-77.9	-175	0	112.2	P289 Y290 E291	P289-K470 PolarHBondContact O-N 3.4Å; Y290-K470 WeakPolarHBondContact O-CE 3.22Å; E291-K470 HydrophobicContact CB-CD 3.85Å; E291-K470 HydrophobicContact CB-CG 4Å
471	E	85.8	Confident	88.9	Confident	111 Å²	111	37.3 Å²	37.3	52%	0.519	20%	0.2	S	C	.	.	S	Bend	trans	-135	159.4	-177.3	-61.3	-170.1	168.9	0	0	112	P289 Q469	P289-E471 HydrophobicContact CB-CB 3.88Å; Q469-E471 WeakPolarHBondContact CG-O 3.31Å; Q469-E471 PolarHBondContact NE2-O 2.77Å
472	G	88.4	Confident	89.2	Confident	5 Å²	5	35.7 Å²	35.7	5%	0.052	19%	0.191	C	C	.	.	S	Bend	trans	73.6	177.8	-173.1	0	0	0	0	0	113.1	F414 T415 V417	F414-G472 CarbonylContact O-C 3.56Å; F414-G472 WeakPolarHBondContact O-CA 3.37Å; T415-G472 VanDerWaalsContact O-CA 3.29Å; T415-G472 WeakPolarHBondContact O-CA 3.32Å; V417-G472 WeakPolarHBondContact O-CA 3.43Å
473	I	91.3	Very high	89.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.191	C	C	.	.			trans	-107.6	155.9	176.5	63	172.5	0	0	0	109.8	F414 V417 I419 L455 Q469 S480 V483 A484	F414-I473 CarbonylContact C-O 3.55Å; F414-I473 HydrophobicContact CB-CG1 4.25Å; F414-I473 HydrophobicContact CD1-CD1 3.94Å; F414-I473 HydrophobicContact CD1-CG1 3.93Å; F414-I473 WeakPolarHBondContact O-CG1 3.4Å; F414-I473 PolarHBondContact O-N 2.89Å; V417-I473 HydrophobicContact CB-CD1 4.47Å; V417-I473 HydrophobicContact CB-CG1 4.3Å; V417-I473 HydrophobicContact CG1-CG2 4.44Å; V417-I473 HydrophobicContact CG2-CD1 4.44Å; I419-I473 HydrophobicContact CG1-CG2 4.46Å; L455-I473 HydrophobicContact CD1-CG2 4.28Å; L455-I473 HydrophobicContact CD2-CB 4.31Å; L455-I473 HydrophobicContact CD2-CG2 3.79Å; L455-I473 HydrophobicContact CG-CG2 4.46Å; Q469-I473 PolarHBondContact NE2-O 2.93Å; I473-S480 WeakPolarHBondContact CD1-O 3.34Å; I473-V483 HydrophobicContact CD1-CB 4.24Å; I473-V483 HydrophobicContact CD1-CG1 4.28Å; I473-V483 HydrophobicContact CG2-CG1 4.39Å; I473-A484 HydrophobicContact CD1-CB 3.86Å
474	A	87.5	Confident	89.8	Confident	2 Å²	2	31.9 Å²	31.9	2%	0.017	18%	0.177	C	C	.	.			trans	-90.8	131.3	-172.7	0	0	0	0	0	112.2	F357 T458 G476 S477 S480	F357-A474 HydrophobicContact CE2-CB 3.34Å; F357-A474 HydrophobicContact CZ-CB 3.29Å; T458-A474 HydrophobicContact CG2-CB 3.65Å; A474-G476 PolarHBondContact O-N 3.46Å; A474-S477 PolarHBondContact O-N 3.28Å; A474-S480 PolarHBondContact N-OG 3.13Å; A474-S480 WeakPolarHBondContact O-CB 3.4Å; A474-S480 PolarHBondContact O-OG 3.42Å
475	M	82.5	Confident	90.2	Very high	65 Å²	65	30.5 Å²	30.5	32%	0.32	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.6	-177.2	-68.3	-178.1	-177.1	0	0	115.5	F414	F414-M475 HydrophobicContact CB-CE 3.93Å; F414-M475 HydrophobicContact CB-CG 3.57Å; F414-M475 HydrophobicContact CD1-CG 4.19Å; F414-M475 HydrophobicContact CD2-CE 3.87Å; F414-M475 HydrophobicContact CD2-CG 3.59Å; F414-M475 HydrophobicContact CD2-SD 4.3Å; F414-M475 HydrophobicContact CE2-CG 4.31Å; F414-M475 HydrophobicContact CG-CB 4.44Å; F414-M475 HydrophobicContact CG-CE 4.29Å; F414-M475 HydrophobicContact CG-CG 3.51Å
476	G	83.8	Confident	90.4	Very high	29 Å²	29	28.6 Å²	28.6	30%	0.299	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-6.8	-177.6	0	0	0	0	0	115.9	V355 F357 A474	V355-G476 WeakPolarHBondContact O-CA 3.38Å; F357-G476 WeakPolarHBondContact CB-O 3.49Å; A474-G476 PolarHBondContact O-N 3.46Å
477	S	89.3	Confident	90.5	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-75.4	137	178.7	177.3	0	0	0	0	110	A474 V479 S480 P481	A474-S477 PolarHBondContact O-N 3.28Å; S477-V479 PolarHBondContact O-N 2.81Å; S477-V479 VanDerWaalsContact O-N 3.12Å; S477-S480 WeakPolarHBondContact CB-OG 3.49Å; S477-S480 PolarHBondContact O-N 2.65Å; S477-P481 VanDerWaalsContact O-CD 3.3Å; S477-P481 WeakPolarHBondContact O-CD 3.26Å
478	P	92	Very high	90.6	Very high	37 Å²	37	27.8 Å²	27.8	24%	0.24	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.3	179.8	-27.1	34.4	0	0	0	114.9	Y363 A366 K367 A370	Y363-P478 HydrophobicContact CD2-CG 3.79Å; Y363-P478 HydrophobicContact CE2-CG 3.48Å; Y363-P478 VanDerWaalsContact CE2-CG 3.48Å; A366-P478 HydrophobicContact CB-CG 4.4Å; K367-P478 HydrophobicContact CB-CB 4.28Å; K367-P478 HydrophobicContact CB-CG 4.29Å; A370-P478 HydrophobicContact CB-CB 4.41Å; A370-P478 WeakPolarHBondContact CB-O 3.43Å
479	V	93.7	Very high	90.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.6	-176.9	77	0	0	0	0	112.7	A366 L369 A370 L373 L451 L455 S477 I482 V483	A366-V479 HydrophobicContact CB-CB 4.32Å; A366-V479 HydrophobicContact CB-CG1 4.19Å; L369-V479 HydrophobicContact CB-CG2 4.34Å; A370-V479 HydrophobicContact CB-CB 4.24Å; A370-V479 HydrophobicContact CB-CG2 4.33Å; L373-V479 HydrophobicContact CD1-CG2 3.96Å; L451-V479 HydrophobicContact CD1-CB 4.46Å; L451-V479 HydrophobicContact CD1-CG1 4.06Å; L451-V479 HydrophobicContact CD1-CG2 3.61Å; L455-V479 HydrophobicContact CD2-CG1 3.98Å; S477-V479 PolarHBondContact O-N 2.81Å; S477-V479 VanDerWaalsContact O-N 3.12Å; V479-I482 PolarHBondContact O-N 3.1Å; V479-I482 VanDerWaalsContact O-N 3.14Å; V479-V483 HydrophobicContact CG2-CG2 4.07Å; V479-V483 WeakPolarHBondContact O-CG2 3.45Å; V479-V483 PolarHBondContact O-N 2.93Å; V479-V483 VanDerWaalsContact O-N 3.11Å
480	S	93	Very high	90.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-43.9	-173.9	-65.4	0	0	0	0	114.5	I473 A474 S477 I482 V483 A484	I473-S480 WeakPolarHBondContact CD1-O 3.34Å; A474-S480 PolarHBondContact N-OG 3.13Å; A474-S480 WeakPolarHBondContact O-CB 3.4Å; A474-S480 PolarHBondContact O-OG 3.42Å; S477-S480 WeakPolarHBondContact CB-OG 3.49Å; S477-S480 PolarHBondContact O-N 2.65Å; S480-I482 VanDerWaalsContact C-N 3.26Å; S480-I482 PolarHBondContact O-N 2.98Å; S480-V483 PolarHBondContact O-N 2.64Å; S480-A484 WeakPolarHBondContact O-CB 3.42Å; S480-A484 PolarHBondContact O-N 3.4Å
481	P	93.1	Very high	90.9	Very high	54 Å²	54	20.4 Å²	20.4	35%	0.351	12%	0.119	S	C	.	.	H	α-helix	trans	-59	-38.1	178.5	-25.6	35.7	0	0	0	113.1	S477 N485	S477-P481 VanDerWaalsContact O-CD 3.3Å; S477-P481 WeakPolarHBondContact O-CD 3.26Å; P481-N485 WeakPolarHBondContact O-CB 3.38Å; P481-N485 VanDerWaalsContact O-CG 3.26Å; P481-N485 PolarHBondContact O-N 3.41Å; P481-N485 PolarHBondContact O-ND2 2.99Å
482	I	94.3	Very high	91.1	Very high	9 Å²	9	15.3 Å²	15.3	5%	0.046	10%	0.095	C	C	.	.	H	α-helix	trans	-70.9	-44.3	-179.4	-57.1	173.5	0	0	0	109.9	A370 L373 K374 E377 V479 S480 A484 N485 L486	A370-I482 HydrophobicContact CB-CD1 3.78Å; A370-I482 WeakPolarHBondContact O-CD1 3.4Å; L373-I482 HydrophobicContact CB-CD1 4.48Å; L373-I482 HydrophobicContact CB-CG2 3.7Å; K374-I482 HydrophobicContact CB-CD1 4.41Å; K374-I482 HydrophobicContact CD-CD1 4.17Å; E377-I482 HydrophobicContact CG-CG2 3.99Å; V479-I482 PolarHBondContact O-N 3.1Å; V479-I482 VanDerWaalsContact O-N 3.14Å; S480-I482 VanDerWaalsContact C-N 3.26Å; S480-I482 PolarHBondContact O-N 2.98Å; I482-A484 PolarHBondContact O-N 3.19Å; I482-N485 PolarHBondContact O-N 2.94Å; I482-L486 HydrophobicContact CG2-CD1 4.15Å; I482-L486 HydrophobicContact CG2-CG 4.46Å; I482-L486 WeakPolarHBondContact O-CG 3.43Å; I482-L486 PolarHBondContact O-N 3.37Å
483	V	95.1	Very high	91.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-46.6	176.4	176.7	0	0	0	0	110.9	A422 I426 L451 L455 I473 V479 S480 N485 L486 F487	A422-V483 HydrophobicContact CB-CG1 3.78Å; I426-V483 HydrophobicContact CD1-CB 4.32Å; I426-V483 HydrophobicContact CD1-CG1 4.13Å; I426-V483 HydrophobicContact CD1-CG2 3.81Å; L451-V483 HydrophobicContact CD1-CG2 4.22Å; L455-V483 HydrophobicContact CD1-CG1 4.25Å; L455-V483 HydrophobicContact CD1-CG2 4.48Å; L455-V483 HydrophobicContact CD2-CG2 4.41Å; I473-V483 HydrophobicContact CD1-CB 4.24Å; I473-V483 HydrophobicContact CD1-CG1 4.28Å; I473-V483 HydrophobicContact CG2-CG1 4.39Å; V479-V483 HydrophobicContact CG2-CG2 4.07Å; V479-V483 WeakPolarHBondContact O-CG2 3.45Å; V479-V483 PolarHBondContact O-N 2.93Å; V479-V483 VanDerWaalsContact O-N 3.11Å; S480-V483 PolarHBondContact O-N 2.64Å; V483-N485 VanDerWaalsContact C-N 3.33Å; V483-N485 PolarHBondContact O-N 3.02Å; V483-L486 PolarHBondContact O-N 3.49Å; V483-F487 WeakPolarHBondContact O-CB 3.29Å; V483-F487 PolarHBondContact O-N 2.9Å
484	A	93.3	Very high	91.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.2	-43.5	174.6	0	0	0	0	0	112	L413 F414 I473 S480 I482 F487 M488	L413-A484 HydrophobicContact CD2-CB 4.17Å; L413-A484 HydrophobicContact CG-CB 4.35Å; F414-A484 HydrophobicContact CD1-CB 4.49Å; F414-A484 HydrophobicContact CE1-CB 4.16Å; I473-A484 HydrophobicContact CD1-CB 3.86Å; S480-A484 WeakPolarHBondContact O-CB 3.42Å; S480-A484 PolarHBondContact O-N 3.4Å; I482-A484 PolarHBondContact O-N 3.19Å; A484-F487 PolarHBondContact O-N 3.44Å; A484-M488 WeakPolarHBondContact O-CB 3.31Å; A484-M488 VanDerWaalsContact O-CG 3.31Å; A484-M488 WeakPolarHBondContact O-CG 3.32Å; A484-M488 PolarHBondContact O-N 3.48Å
485	N	93.5	Very high	91.3	Very high	24 Å²	24	19.9 Å²	19.9	13%	0.128	12%	0.123	C	C	.	.	H	α-helix	trans	-64.3	-41.9	-179.4	-82.3	-22.8	0	0	0	113	E377 I380 P481 I482 V483 H489 R508	E377-N485 PolarHBondContact OE1-ND2 2.82Å; I380-N485 HydrophobicContact CD1-CB 3.89Å; P481-N485 WeakPolarHBondContact O-CB 3.38Å; P481-N485 VanDerWaalsContact O-CG 3.26Å; P481-N485 PolarHBondContact O-N 3.41Å; P481-N485 PolarHBondContact O-ND2 2.99Å; I482-N485 PolarHBondContact O-N 2.94Å; V483-N485 VanDerWaalsContact C-N 3.33Å; V483-N485 PolarHBondContact O-N 3.02Å; N485-H489 WeakPolarHBondContact O-CB 3.01Å; N485-H489 PolarHBondContact O-N 3.26Å; N485-R508 PolarHBondContact O-NH2 3.21Å; N485-R508 PolarHBondContact OD1-NH1 3.05Å
486	L	93.1	Very high	91.7	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-69.6	-39	177.1	-67.2	175.4	0	0	0	111.7	I380 I426 I482 V483 H489 S490	I380-L486 HydrophobicContact CD1-CD2 4.34Å; I380-L486 HydrophobicContact CG1-CD2 4.47Å; I426-L486 HydrophobicContact CD1-CD1 4.39Å; I426-L486 HydrophobicContact CG1-CD1 3.87Å; I482-L486 HydrophobicContact CG2-CD1 4.15Å; I482-L486 HydrophobicContact CG2-CG 4.46Å; I482-L486 WeakPolarHBondContact O-CG 3.43Å; I482-L486 PolarHBondContact O-N 3.37Å; V483-L486 PolarHBondContact O-N 3.49Å; L486-H489 WeakPolarHBondContact O-CB 3.3Å; L486-H489 PolarHBondContact O-N 3.08Å; L486-S490 PolarHBondContact O-N 3.43Å; L486-S490 VanDerWaalsContact O-N 3.11Å
487	F	92.7	Very high	92	Very high	1 Å²	1	21 Å²	21	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-49.2	173.9	-178.9	-96.5	0	0	0	111.6	V417 P418 R421 A422 I425 V483 A484 H489 S490 L491 I536	V417-F487 HydrophobicContact CG1-CB 4.25Å; V417-F487 HydrophobicContact CG1-CD1 4.23Å; V417-F487 HydrophobicContact CG1-CD2 4.21Å; V417-F487 HydrophobicContact CG1-CG 3.95Å; V417-F487 HydrophobicContact CG2-CD1 4Å; V417-F487 HydrophobicContact CG2-CE1 4.5Å; V417-F487 HydrophobicContact CG2-CG 4.44Å; P418-F487 HydrophobicContact CG-CE2 3.62Å; P418-F487 HydrophobicContact CG-CZ 3.66Å; R421-F487 HydrophobicContact CB-CE2 4.27Å; R421-F487 HydrophobicContact CG-CE2 3.91Å; A422-F487 HydrophobicContact CB-CD2 4.22Å; I425-F487 HydrophobicContact CD1-CD2 3.78Å; I425-F487 HydrophobicContact CD1-CE2 4.33Å; V483-F487 WeakPolarHBondContact O-CB 3.29Å; V483-F487 PolarHBondContact O-N 2.9Å; A484-F487 PolarHBondContact O-N 3.44Å; F487-H489 VanDerWaalsContact C-N 3.3Å; F487-H489 PolarHBondContact O-N 3.17Å; F487-S490 PolarHBondContact O-N 3.41Å; F487-L491 HydrophobicContact CD1-CD1 3.92Å; F487-L491 HydrophobicContact CD1-CG 4.25Å; F487-L491 HydrophobicContact CE1-CD1 3.28Å; F487-L491 HydrophobicContact CE1-CD2 4.32Å; F487-L491 HydrophobicContact CE1-CG 3.77Å; F487-L491 HydrophobicContact CZ-CD1 3.91Å; F487-L491 HydrophobicContact CZ-CD2 4.12Å; F487-L491 HydrophobicContact CZ-CG 4.04Å; F487-L491 PolarHBondContact O-N 3.32Å; F487-L491 VanDerWaalsContact O-N 3.09Å; F487-I536 HydrophobicContact CD1-CD1 3.99Å; F487-I536 HydrophobicContact CE1-CD1 3.39Å; F487-I536 HydrophobicContact CE1-CG1 3.96Å; F487-I536 HydrophobicContact CZ-CD1 4.37Å
488	M	92.6	Very high	92	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-43.7	176.1	-75.8	-58.6	-59.2	0	0	111.3	V410 L413 A484 S490 L491 E492 I513	V410-M488 HydrophobicContact CG2-CE 3.67Å; V410-M488 HydrophobicContact CG2-SD 4.14Å; L413-M488 HydrophobicContact CD1-CG 3.79Å; L413-M488 HydrophobicContact CD1-SD 3.63Å; L413-M488 HydrophobicContact CD2-CG 4.36Å; A484-M488 WeakPolarHBondContact O-CB 3.31Å; A484-M488 VanDerWaalsContact O-CG 3.31Å; A484-M488 WeakPolarHBondContact O-CG 3.32Å; A484-M488 PolarHBondContact O-N 3.48Å; M488-S490 VanDerWaalsContact C-N 3.33Å; M488-S490 PolarHBondContact O-N 3.47Å; M488-L491 WeakPolarHBondContact O-CB 3.5Å; M488-L491 PolarHBondContact O-N 3.24Å; M488-L491 VanDerWaalsContact O-N 3.09Å; M488-L491 HydrophobicContact SD-CD1 4.2Å; M488-E492 WeakPolarHBondContact CB-OE1 3.46Å; M488-E492 WeakPolarHBondContact O-CG 3.39Å; M488-E492 PolarHBondContact O-N 2.83Å; M488-I513 HydrophobicContact CE-CD1 3.97Å
489	H	92.2	Very high	91.9	Very high	38 Å²	38	26.6 Å²	26.6	18%	0.176	15%	0.153	C	C	.	.	H	α-helix	trans	-56.4	-45.7	177.2	176.8	47.7	0	0	0	112.5	I380 N485 L486 F487 L491 E492 T493	I380-H489 HydrophobicContact CD1-CB 4.36Å; I380-H489 HydrophobicContact CG1-CB 3.99Å; I380-H489 HydrophobicContact CG2-CB 4.09Å; N485-H489 WeakPolarHBondContact O-CB 3.01Å; N485-H489 PolarHBondContact O-N 3.26Å; L486-H489 WeakPolarHBondContact O-CB 3.3Å; L486-H489 PolarHBondContact O-N 3.08Å; F487-H489 VanDerWaalsContact C-N 3.3Å; F487-H489 PolarHBondContact O-N 3.17Å; H489-L491 VanDerWaalsContact C-N 3.34Å; H489-L491 PolarHBondContact O-N 3.18Å; H489-E492 WeakPolarHBondContact CA-OE1 3.44Å; H489-E492 PolarHBondContact N-OE1 2.97Å; H489-E492 PolarHBondContact O-N 2.77Å; H489-T493 PolarHBondContact CE1-OG1 3.17Å; H489-T493 PolarHBondContact O-N 3.32Å; H489-T493 PolarHBondContact O-OG1 2.94Å; H489-T493 VanDerWaalsContact O-OG1 3.12Å
490	S	91.1	Very high	91.6	Very high	32 Å²	32	32 Å²	32	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-39.7	176.3	178.1	0	0	0	0	112.6	L486 F487 M488 S494	L486-S490 PolarHBondContact O-N 3.43Å; L486-S490 VanDerWaalsContact O-N 3.11Å; F487-S490 PolarHBondContact O-N 3.41Å; M488-S490 VanDerWaalsContact C-N 3.33Å; M488-S490 PolarHBondContact O-N 3.47Å; S490-S494 WeakPolarHBondContact O-CB 3.42Å; S490-S494 PolarHBondContact O-N 3.05Å; S490-S494 VanDerWaalsContact O-N 3.08Å; S490-S494 PolarHBondContact O-OG 3.5Å
491	L	90.3	Very high	91.4	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-45.9	174.8	-71.1	-175.2	0	0	0	111.9	F487 M488 H489 S494 A495 I532 I536	F487-L491 HydrophobicContact CD1-CD1 3.92Å; F487-L491 HydrophobicContact CD1-CG 4.25Å; F487-L491 HydrophobicContact CE1-CD1 3.28Å; F487-L491 HydrophobicContact CE1-CD2 4.32Å; F487-L491 HydrophobicContact CE1-CG 3.77Å; F487-L491 HydrophobicContact CZ-CD1 3.91Å; F487-L491 HydrophobicContact CZ-CD2 4.12Å; F487-L491 HydrophobicContact CZ-CG 4.04Å; F487-L491 PolarHBondContact O-N 3.32Å; F487-L491 VanDerWaalsContact O-N 3.09Å; M488-L491 WeakPolarHBondContact O-CB 3.5Å; M488-L491 PolarHBondContact O-N 3.24Å; M488-L491 VanDerWaalsContact O-N 3.09Å; M488-L491 HydrophobicContact SD-CD1 4.2Å; H489-L491 VanDerWaalsContact C-N 3.34Å; H489-L491 PolarHBondContact O-N 3.18Å; L491-S494 PolarHBondContact O-N 3.06Å; L491-A495 WeakPolarHBondContact O-CB 3.48Å; L491-A495 PolarHBondContact O-N 3.31Å; L491-I532 HydrophobicContact CD2-CB 4.31Å; L491-I532 HydrophobicContact CD2-CG2 3.42Å; L491-I532 VanDerWaalsContact CD2-CG2 3.42Å; L491-I536 HydrophobicContact CD1-CB 4.48Å; L491-I536 HydrophobicContact CD1-CD1 4.5Å; L491-I536 HydrophobicContact CD1-CG2 4.46Å
492	E	91	Very high	91.4	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-49.2	179.6	-66.7	158.6	-117.4	0	0	111.5	M488 H489 S494 A495 I496 W506 R508	M488-E492 WeakPolarHBondContact CB-OE1 3.46Å; M488-E492 WeakPolarHBondContact O-CG 3.39Å; M488-E492 PolarHBondContact O-N 2.83Å; H489-E492 WeakPolarHBondContact CA-OE1 3.44Å; H489-E492 PolarHBondContact N-OE1 2.97Å; H489-E492 PolarHBondContact O-N 2.77Å; E492-S494 PolarHBondContact O-N 2.96Å; E492-A495 PolarHBondContact O-N 3.43Å; E492-A495 VanDerWaalsContact O-N 3.12Å; E492-I496 WeakPolarHBondContact O-CB 3.45Å; E492-I496 VanDerWaalsContact O-CG1 3.31Å; E492-I496 WeakPolarHBondContact O-CG1 3.4Å; E492-I496 PolarHBondContact O-N 3.31Å; E492-W506 HydrophobicContact CB-CZ2 4.36Å; E492-W506 HydrophobicContact CG-CZ2 3.83Å; E492-W506 PolarHBondContact OE2-NE1 3.06Å; E492-W506 VanDerWaalsContact OE2-NE1 3.15Å; E492-R508 VanDerWaalsContact CD-NE 3.31Å; E492-R508 VanDerWaalsContact OE1-CD 3.3Å; E492-R508 WeakPolarHBondContact OE1-CD 3.38Å; E492-R508 IonicContact OE1-CZ 2.67Å; E492-R508 IonicContact OE1-NE 3.34Å; E492-R508 PolarHBondContact OE1-NE 3.48Å; E492-R508 IonicContact OE1-NH2 3.95Å; E492-R508 PolarHBondContact OE1-NH2 3.07Å; E492-R508 VanDerWaalsContact OE1-NH2 3.1Å; E492-R508 IonicContact OE2-NE 2.63Å; E492-R508 PolarHBondContact OE2-NE 3.11Å
493	T	90.7	Very high	91.3	Very high	68 Å²	68	36.3 Å²	36.3	42%	0.417	21%	0.207	S	C	.	.	H	α-helix	trans	-58.7	-41	177.4	-61.4	0	0	0	0	111	H489 A497	H489-T493 PolarHBondContact CE1-OG1 3.17Å; H489-T493 PolarHBondContact O-N 3.32Å; H489-T493 PolarHBondContact O-OG1 2.94Å; H489-T493 VanDerWaalsContact O-OG1 3.12Å; T493-A497 WeakPolarHBondContact O-CB 3.4Å; T493-A497 PolarHBondContact O-N 3.15Å
494	S	90.2	Very high	91.2	Very high	36 Å²	36	40.8 Å²	40.8	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-38.9	176.6	-58.2	0	0	0	0	112.5	S490 L491 E492 R498	S490-S494 WeakPolarHBondContact O-CB 3.42Å; S490-S494 PolarHBondContact O-N 3.05Å; S490-S494 VanDerWaalsContact O-N 3.08Å; S490-S494 PolarHBondContact O-OG 3.5Å; L491-S494 PolarHBondContact O-N 3.06Å; E492-S494 PolarHBondContact O-N 2.96Å; S494-R498 VanDerWaalsContact O-CG 3.29Å; S494-R498 WeakPolarHBondContact O-CG 3.37Å; S494-R498 PolarHBondContact O-N 2.85Å
495	A	89.2	Confident	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.9	-48.4	179.4	0	0	0	0	0	111.9	L491 E492 A497 R498 S499 V529 I532	L491-A495 WeakPolarHBondContact O-CB 3.48Å; L491-A495 PolarHBondContact O-N 3.31Å; E492-A495 PolarHBondContact O-N 3.43Å; E492-A495 VanDerWaalsContact O-N 3.12Å; A495-A497 VanDerWaalsContact C-N 3.3Å; A495-A497 PolarHBondContact O-N 2.92Å; A495-R498 PolarHBondContact O-N 3.37Å; A495-S499 PolarHBondContact O-N 3.08Å; A495-S499 VanDerWaalsContact O-N 3.17Å; A495-S499 PolarHBondContact O-OG 2.75Å; A495-V529 HydrophobicContact CB-CB 4.32Å; A495-V529 HydrophobicContact CB-CG2 3.51Å; A495-I532 HydrophobicContact CB-CD1 3.55Å; A495-I532 VanDerWaalsContact N-CD1 3.34Å
496	I	90.4	Very high	91.2	Very high	33 Å²	33	40.7 Å²	40.7	17%	0.169	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-40.3	179.2	-65.2	166.9	0	0	0	110.3	E492 R498 S499 P502 P503 W506	E492-I496 WeakPolarHBondContact O-CB 3.45Å; E492-I496 VanDerWaalsContact O-CG1 3.31Å; E492-I496 WeakPolarHBondContact O-CG1 3.4Å; E492-I496 PolarHBondContact O-N 3.31Å; I496-R498 VanDerWaalsContact C-N 3.29Å; I496-R498 PolarHBondContact O-N 3.03Å; I496-S499 PolarHBondContact O-N 2.94Å; I496-P502 HydrophobicContact CG2-CB 4.09Å; I496-P503 HydrophobicContact CG1-CG 4.32Å; I496-W506 HydrophobicContact CD1-CB 4.19Å; I496-W506 HydrophobicContact CD1-CD2 4.16Å; I496-W506 HydrophobicContact CD1-CG 3.94Å
497	A	90.6	Very high	91.3	Very high	84 Å²	84	41.2 Å²	41.2	69%	0.694	23%	0.228	S	C	*	.	H	α-helix	trans	-68	-25.3	178.4	0	0	0	0	0	114	T493 A495	T493-A497 WeakPolarHBondContact O-CB 3.4Å; T493-A497 PolarHBondContact O-N 3.15Å; A495-A497 VanDerWaalsContact C-N 3.3Å; A495-A497 PolarHBondContact O-N 2.92Å
498	R	90.2	Very high	91.3	Very high	147 Å²	147	41.3 Å²	41.3	56%	0.555	23%	0.229	S	C	*	.	H	α-helix	trans	-86.7	-19.4	177.2	-74.2	178.6	-170.3	-173.9	2.3	113.6	S494 A495 I496 I532	S494-R498 VanDerWaalsContact O-CG 3.29Å; S494-R498 WeakPolarHBondContact O-CG 3.37Å; S494-R498 PolarHBondContact O-N 2.85Å; A495-R498 PolarHBondContact O-N 3.37Å; I496-R498 VanDerWaalsContact C-N 3.29Å; I496-R498 PolarHBondContact O-N 3.03Å; R498-I532 VanDerWaalsContact NH1-CG1 3.29Å
499	S	89.5	Confident	91.2	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.084	25%	0.245	C	C	.	.			trans	-72.8	130.9	-178.2	-79.1	0	0	0	0	111.6	A495 I496 F501 L525 N528	A495-S499 PolarHBondContact O-N 3.08Å; A495-S499 VanDerWaalsContact O-N 3.17Å; A495-S499 PolarHBondContact O-OG 2.75Å; I496-S499 PolarHBondContact O-N 2.94Å; S499-F501 VanDerWaalsContact C-N 3.27Å; S499-F501 PolarHBondContact O-N 2.93Å; S499-L525 WeakPolarHBondContact OG-CD1 3.44Å; S499-N528 PolarHBondContact OG-ND2 2.82Å
500	V	88.3	Confident	91	Very high	113 Å²	113	45.9 Å²	45.9	69%	0.685	25%	0.25	S	C	*	.	S	Bend	trans	-61	-42.6	176.6	177.7	0	0	0	0	110.3	Y521 E524	V500-Y521 HydrophobicContact CG1-CE1 4.5Å; V500-E524 WeakPolarHBondContact CG2-OE1 3.39Å; V500-E524 PolarHBondContact N-OE1 2.7Å
501	F	88.9	Confident	90.9	Very high	70 Å²	70	46.6 Å²	46.6	31%	0.307	25%	0.251	S	S	.	.	S	Bend	trans	-116.9	102.8	173.8	-163.8	-91.8	0	0	0	109.7	S499 I517 K518 Y521	S499-F501 VanDerWaalsContact C-N 3.27Å; S499-F501 PolarHBondContact O-N 2.93Å; F501-I517 HydrophobicContact CD1-CG1 4.26Å; F501-I517 WeakPolarHBondContact O-CD1 3.44Å; F501-K518 HydrophobicContact CD1-CB 4.34Å; F501-K518 HydrophobicContact CD1-CD 4.23Å; F501-K518 HydrophobicContact CD1-CG 4.28Å; F501-K518 HydrophobicContact CE1-CB 4.22Å; F501-K518 HydrophobicContact CE1-CD 3.68Å; F501-K518 HydrophobicContact CE1-CG 3.69Å; F501-K518 HydrophobicContact CE2-CD 4.07Å; F501-K518 HydrophobicContact CZ-CD 3.6Å; F501-K518 VanDerWaalsContact CZ-CE 3.43Å; F501-K518 HydrophobicContact CZ-CG 4.06Å; F501-Y521 HydrophobicContact CB-CD1 3.67Å; F501-Y521 HydrophobicContact CB-CD2 3.78Å; F501-Y521 HydrophobicContact CB-CE1 3.98Å; F501-Y521 HydrophobicContact CB-CE2 4.07Å; F501-Y521 HydrophobicContact CB-CG 3.55Å; F501-Y521 HydrophobicContact CD1-CD2 4.27Å; F501-Y521 HydrophobicContact CD2-CE2 4.48Å; F501-Y521 AromaticContact CG-CD2 4Å; F501-Y521 HydrophobicContact CG-CD2 4Å; F501-Y521 HydrophobicContact CG-CE2 4.21Å; F501-Y521 HydrophobicContact CG-CG 4.25Å
502	P	91.2	Very high	91	Very high	67 Å²	67	48.4 Å²	48.4	44%	0.435	26%	0.261	S	S	.	.			trans	-65.7	147.9	179.8	26.4	-33.5	0	0	0	110.9	I496	I496-P502 HydrophobicContact CG2-CB 4.09Å
503	P	93.6	Very high	91.1	Very high	18 Å²	18	48.3 Å²	48.3	12%	0.117	26%	0.261	C	S	.	.			trans	-64.1	139.8	179	28	-35.3	0	0	0	110.8	I496 V505 W506 V515 I516 I517 L525	I496-P503 HydrophobicContact CG1-CG 4.32Å; P503-V505 PolarHBondContact O-N 3.31Å; P503-W506 HydrophobicContact CG-CB 4.02Å; P503-W506 HydrophobicContact CG-CE3 3.88Å; P503-V515 HydrophobicContact CB-CG1 3.63Å; P503-V515 HydrophobicContact CG-CG1 4.49Å; P503-I516 CarbonylContact C-O 3.53Å; P503-I517 HydrophobicContact CB-CB 4.16Å; P503-I517 HydrophobicContact CB-CD1 4.24Å; P503-I517 HydrophobicContact CB-CG1 4.48Å; P503-L525 HydrophobicContact CB-CD2 4.04Å; P503-L525 HydrophobicContact CG-CD2 4.09Å
504	K	92.7	Very high	91.3	Very high	95 Å²	95	45.1 Å²	45.1	41%	0.413	24%	0.241	S	C	.	.	S	Bend	trans	-61.3	-37	173.3	178.3	172.8	169.3	178.6	0	111.5	D398 E403 I516	D398-K504 WeakPolarHBondContact O-CE 3.25Å; D398-K504 PolarHBondContact O-NZ 2.92Å; E403-K504 VanDerWaalsContact CD-NZ 3.33Å; E403-K504 WeakPolarHBondContact OE1-CD 3.5Å; E403-K504 IonicContact OE1-NZ 2.64Å; E403-K504 PolarHBondContact OE1-NZ 3.2Å; E403-K504 IonicContact OE2-NZ 3.99Å; E403-K504 PolarHBondContact OE2-NZ 3.38Å; K504-I516 PolarHBondContact N-O 2.9Å
505	V	93.2	Very high	91.6	Very high	12 Å²	12	43.4 Å²	43.4	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.7	178.2	-177.2	0	0	0	0	108.5	I397 P503 L507 F514 V515 I516	I397-V505 HydrophobicContact CD1-CB 4.45Å; I397-V505 HydrophobicContact CD1-CG1 4.07Å; I397-V505 HydrophobicContact CD1-CG2 3.47Å; I397-V505 VanDerWaalsContact CD1-CG2 3.47Å; I397-V505 HydrophobicContact CG1-CG2 4.1Å; I397-V505 HydrophobicContact CG2-CG2 4.11Å; P503-V505 PolarHBondContact O-N 3.31Å; V505-L507 HydrophobicContact CG1-CB 4.44Å; V505-L507 HydrophobicContact CG1-CD1 3.57Å; V505-L507 HydrophobicContact CG1-CG 3.61Å; V505-F514 HydrophobicContact CG1-CD1 4.32Å; V505-F514 HydrophobicContact CG1-CE1 4.4Å; V505-V515 CarbonylContact O-C 3.45Å; V505-V515 VanDerWaalsContact O-CA 3.27Å; V505-V515 WeakPolarHBondContact O-CA 3.38Å; V505-I516 HydrophobicContact CB-CB 3.84Å; V505-I516 HydrophobicContact CB-CD1 4.37Å; V505-I516 HydrophobicContact CB-CG1 3.99Å; V505-I516 HydrophobicContact CG2-CB 3.95Å; V505-I516 HydrophobicContact CG2-CD1 4.05Å; V505-I516 HydrophobicContact CG2-CG1 4.14Å; V505-I516 PolarHBondContact N-O 3.09Å; V505-I516 VanDerWaalsContact N-O 3.12Å; V505-I516 PolarHBondContact O-N 2.87Å
506	W	93.9	Very high	91.9	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.038	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.7	168.6	-176.3	-78.3	0	0	0	108.9	H382 F408 E492 I496 P503 I513 V515 L525 V529	H382-W506 AromaticContact CG-CD1 3.66Å; H382-W506 PolarHBondContact ND1-O 2.82Å; H382-W506 VanDerWaalsContact ND1-O 3.11Å; F408-W506 AromaticContact CD2-CH2 3.96Å; F408-W506 HydrophobicContact CD2-CH2 3.96Å; F408-W506 HydrophobicContact CD2-CZ3 4.14Å; F408-W506 HydrophobicContact CE2-CH2 4.01Å; F408-W506 AromaticContact CE2-CZ3 3.79Å; F408-W506 HydrophobicContact CE2-CZ3 3.79Å; E492-W506 HydrophobicContact CB-CZ2 4.36Å; E492-W506 HydrophobicContact CG-CZ2 3.83Å; E492-W506 PolarHBondContact OE2-NE1 3.06Å; E492-W506 VanDerWaalsContact OE2-NE1 3.15Å; I496-W506 HydrophobicContact CD1-CB 4.19Å; I496-W506 HydrophobicContact CD1-CD2 4.16Å; I496-W506 HydrophobicContact CD1-CG 3.94Å; P503-W506 HydrophobicContact CG-CB 4.02Å; P503-W506 HydrophobicContact CG-CE3 3.88Å; W506-I513 HydrophobicContact CD2-CG2 4.08Å; W506-I513 HydrophobicContact CE3-CG2 4.48Å; W506-I513 HydrophobicContact CH2-CG2 4.22Å; W506-I513 HydrophobicContact CZ2-CD1 3.98Å; W506-I513 HydrophobicContact CZ2-CG2 3.75Å; W506-V515 HydrophobicContact CD2-CG2 4.08Å; W506-V515 HydrophobicContact CE3-CB 4.42Å; W506-V515 HydrophobicContact CE3-CG1 4.11Å; W506-V515 HydrophobicContact CE3-CG2 3.42Å; W506-V515 VanDerWaalsContact CE3-CG2 3.42Å; W506-V515 HydrophobicContact CH2-CG2 4.49Å; W506-V515 HydrophobicContact CZ3-CG2 3.69Å; W506-L525 HydrophobicContact CE3-CD2 4.23Å; W506-L525 HydrophobicContact CZ3-CD1 4.01Å; W506-L525 HydrophobicContact CZ3-CD2 3.86Å; W506-L525 HydrophobicContact CZ3-CG 4.11Å; W506-V529 HydrophobicContact CH2-CG2 3.78Å; W506-V529 HydrophobicContact CZ3-CG2 4.4Å
507	L	94.3	Very high	92.1	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	120.1	-166.4	-79.9	-175	0	0	0	109.9	I384 F390 I393 I394 V505 I513 F514	I384-L507 HydrophobicContact CD1-CB 3.52Å; I384-L507 HydrophobicContact CD1-CD1 4.1Å; I384-L507 HydrophobicContact CD1-CD2 3.93Å; I384-L507 HydrophobicContact CD1-CG 4.01Å; I384-L507 HydrophobicContact CG1-CB 4.38Å; I384-L507 HydrophobicContact CG1-CD2 3.98Å; F390-L507 HydrophobicContact CD2-CD1 3.87Å; F390-L507 HydrophobicContact CE2-CD1 3.92Å; I393-L507 HydrophobicContact CB-CD1 4.43Å; I393-L507 HydrophobicContact CD1-CD2 3.9Å; I393-L507 HydrophobicContact CG2-CD1 3.86Å; I393-L507 HydrophobicContact CG2-CD2 4.44Å; I394-L507 HydrophobicContact CD1-CD1 4.42Å; V505-L507 HydrophobicContact CG1-CB 4.44Å; V505-L507 HydrophobicContact CG1-CD1 3.57Å; V505-L507 HydrophobicContact CG1-CG 3.61Å; L507-I513 CarbonylContact O-C 3.53Å; L507-I513 WeakPolarHBondContact O-CA 3.49Å; L507-F514 HydrophobicContact CB-CB 4.3Å; L507-F514 HydrophobicContact CB-CD1 4.48Å; L507-F514 HydrophobicContact CD1-CD1 4.33Å; L507-F514 PolarHBondContact N-O 3.44Å; L507-F514 PolarHBondContact O-N 3.06Å
508	R	93.2	Very high	92.3	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.6	-177.1	-175.6	177.5	59.9	93.6	-12.9	113.1	H382 I384 N485 E492 V510 D512 I513	H382-R508 PolarHBondContact O-N 3.07Å; I384-R508 PolarHBondContact N-O 2.81Å; N485-R508 PolarHBondContact O-NH2 3.21Å; N485-R508 PolarHBondContact OD1-NH1 3.05Å; E492-R508 VanDerWaalsContact CD-NE 3.31Å; E492-R508 VanDerWaalsContact OE1-CD 3.3Å; E492-R508 WeakPolarHBondContact OE1-CD 3.38Å; E492-R508 IonicContact OE1-CZ 2.67Å; E492-R508 IonicContact OE1-NE 3.34Å; E492-R508 PolarHBondContact OE1-NE 3.48Å; E492-R508 IonicContact OE1-NH2 3.95Å; E492-R508 PolarHBondContact OE1-NH2 3.07Å; E492-R508 VanDerWaalsContact OE1-NH2 3.1Å; E492-R508 IonicContact OE2-NE 2.63Å; E492-R508 PolarHBondContact OE2-NE 3.11Å; R508-V510 WeakPolarHBondContact CD-O 3.48Å; R508-V510 WeakPolarHBondContact CG-O 3.48Å; R508-V510 PolarHBondContact NH1-O 2.82Å; R508-D512 CarbonylContact C-O 3.5Å; R508-D512 WeakPolarHBondContact CA-O 3.46Å; R508-I513 HydrophobicContact CB-CG1 4.04Å; R508-I513 HydrophobicContact CG-CG1 3.67Å
509	Y	90.9	Very high	92.4	Very high	91 Å²	91	39.8 Å²	39.8	36%	0.357	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	97.8	165.9	-175.2	-94.2	0	0	0	109.8	I384 D511 D512 L552	I384-Y509 WeakPolarHBondContact O-CD2 3.44Å; Y509-D511 PolarHBondContact O-N 3.18Å; Y509-D512 PolarHBondContact N-O 2.99Å; Y509-D512 PolarHBondContact O-N 3.41Å; Y509-L552 HydrophobicContact CD1-CD1 4.32Å; Y509-L552 HydrophobicContact CD1-CD2 3.62Å; Y509-L552 HydrophobicContact CE1-CD2 4.36Å; Y509-L552 HydrophobicContact CG-CD1 4.03Å; Y509-L552 HydrophobicContact CG-CD2 4.11Å
510	V	87	Confident	92.6	Very high	47 Å²	47	46 Å²	46	29%	0.285	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-100.2	-175.7	-170.2	0	0	0	0	111.6	R508	R508-V510 WeakPolarHBondContact CD-O 3.48Å; R508-V510 WeakPolarHBondContact CG-O 3.48Å; R508-V510 PolarHBondContact NH1-O 2.82Å
511	D	89.3	Confident	92.9	Very high	46 Å²	46	44.5 Å²	44.5	25%	0.246	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-21.5	-179.7	49.4	-26.6	0	0	0	113.5	V410 L413 Y509	V410-D511 HydrophobicContact CB-CB 4.32Å; V410-D511 PolarHBondContact N-O 3.29Å; L413-D511 HydrophobicContact CD2-CB 4.1Å; Y509-D511 PolarHBondContact O-N 3.18Å
512	D	92.1	Very high	93.2	Very high	46 Å²	46	41.4 Å²	41.4	25%	0.246	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.1	-179.5	-62.4	-62.6	0	0	0	110.1	R508 Y509 F551 L552	R508-D512 CarbonylContact C-O 3.5Å; R508-D512 WeakPolarHBondContact CA-O 3.46Å; Y509-D512 PolarHBondContact N-O 2.99Å; Y509-D512 PolarHBondContact O-N 3.41Å; D512-F551 HydrophobicContact CB-CE2 3.75Å; D512-F551 HydrophobicContact CB-CZ 4.11Å; D512-L552 HydrophobicContact CB-CD2 4.04Å; D512-L552 VanDerWaalsContact OD2-CD2 3.31Å; D512-L552 WeakPolarHBondContact OD2-CD2 3.38Å
513	I	94.5	Very high	93.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.8	177.9	-58.8	160.9	0	0	0	109.5	S407 F408 M488 W506 L507 R508 V515 L538 F551	S407-I513 CarbonylContact C-O 3.41Å; S407-I513 VanDerWaalsContact CA-O 3.22Å; S407-I513 WeakPolarHBondContact CA-O 3.35Å; S407-I513 PolarHBondContact OG-O 3.25Å; F408-I513 HydrophobicContact CB-CB 4.11Å; F408-I513 HydrophobicContact CB-CD1 4.43Å; F408-I513 HydrophobicContact CD2-CG2 4.37Å; F408-I513 PolarHBondContact N-O 2.79Å; F408-I513 PolarHBondContact O-N 2.94Å; M488-I513 HydrophobicContact CE-CD1 3.97Å; W506-I513 HydrophobicContact CD2-CG2 4.08Å; W506-I513 HydrophobicContact CE3-CG2 4.48Å; W506-I513 HydrophobicContact CH2-CG2 4.22Å; W506-I513 HydrophobicContact CZ2-CD1 3.98Å; W506-I513 HydrophobicContact CZ2-CG2 3.75Å; L507-I513 CarbonylContact O-C 3.53Å; L507-I513 WeakPolarHBondContact O-CA 3.49Å; R508-I513 HydrophobicContact CB-CG1 4.04Å; R508-I513 HydrophobicContact CG-CG1 3.67Å; I513-V515 HydrophobicContact CG2-CG2 3.77Å; I513-L538 HydrophobicContact CD1-CD2 3.78Å; I513-F551 VanDerWaalsContact C-CE2 3.48Å
514	F	95.1	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.7	172.9	178.1	-94.7	0	0	0	109.6	F390 I394 M405 V505 L507 I516 L549 F551 I556	F390-F514 HydrophobicContact CE2-CB 4.02Å; F390-F514 AromaticContact CE2-CD1 3.79Å; F390-F514 HydrophobicContact CE2-CD1 3.79Å; F390-F514 HydrophobicContact CE2-CD2 4.47Å; F390-F514 HydrophobicContact CE2-CE1 4.37Å; F390-F514 AromaticContact CE2-CG 3.84Å; F390-F514 HydrophobicContact CE2-CG 3.84Å; F390-F514 HydrophobicContact CZ-CD1 4.11Å; F390-F514 HydrophobicContact CZ-CD2 4.22Å; F390-F514 HydrophobicContact CZ-CE1 4.35Å; F390-F514 HydrophobicContact CZ-CE2 4.45Å; F390-F514 HydrophobicContact CZ-CG 4.03Å; I394-F514 HydrophobicContact CD1-CD1 4.15Å; I394-F514 HydrophobicContact CD1-CE1 3.45Å; I394-F514 VanDerWaalsContact CD1-CE1 3.45Å; I394-F514 HydrophobicContact CD1-CZ 3.98Å; M405-F514 HydrophobicContact CB-CE2 4.22Å; M405-F514 HydrophobicContact CB-CZ 4.29Å; M405-F514 HydrophobicContact CG-CE2 4.5Å; M405-F514 HydrophobicContact CG-CZ 4.14Å; M405-F514 HydrophobicContact SD-CE2 4.41Å; M405-F514 HydrophobicContact SD-CZ 4.1Å; V505-F514 HydrophobicContact CG1-CD1 4.32Å; V505-F514 HydrophobicContact CG1-CE1 4.4Å; L507-F514 HydrophobicContact CB-CB 4.3Å; L507-F514 HydrophobicContact CB-CD1 4.48Å; L507-F514 HydrophobicContact CD1-CD1 4.33Å; L507-F514 PolarHBondContact N-O 3.44Å; L507-F514 PolarHBondContact O-N 3.06Å; F514-I516 HydrophobicContact CE1-CD1 3.79Å; F514-I516 HydrophobicContact CE1-CG1 3.58Å; F514-I516 HydrophobicContact CZ-CD1 3.98Å; F514-I516 HydrophobicContact CZ-CG1 3.85Å; F514-L549 HydrophobicContact CD2-CD2 4.15Å; F514-L549 HydrophobicContact CE2-CD2 3.9Å; F514-F551 HydrophobicContact CB-CD1 4.05Å; F514-F551 HydrophobicContact CB-CD2 3.87Å; F514-F551 HydrophobicContact CB-CE1 3.84Å; F514-F551 HydrophobicContact CB-CE2 3.66Å; F514-F551 HydrophobicContact CB-CG 4.07Å; F514-F551 HydrophobicContact CB-CZ 3.64Å; F514-F551 HydrophobicContact CD2-CB 4.22Å; F514-F551 HydrophobicContact CD2-CD1 4.49Å; F514-F551 HydrophobicContact CD2-CD2 4.35Å; F514-F551 HydrophobicContact CD2-CG 4.11Å; F514-F551 HydrophobicContact CG-CD1 4.49Å; F514-F551 HydrophobicContact CG-CG 4.45Å; F514-I556 HydrophobicContact CD2-CD1 3.96Å; F514-I556 HydrophobicContact CE2-CD1 3.39Å; F514-I556 HydrophobicContact CZ-CD1 3.89Å
515	V	95.2	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.9	-174.9	-173.7	0	0	0	0	110.2	M405 A406 F408 P503 V505 W506 I513 I517 L525	M405-V515 WeakPolarHBondContact CA-O 3.41Å; A406-V515 PolarHBondContact N-O 2.94Å; A406-V515 PolarHBondContact O-N 2.99Å; F408-V515 HydrophobicContact CD2-CG2 3.98Å; F408-V515 HydrophobicContact CE2-CG2 3.79Å; F408-V515 HydrophobicContact CZ-CG2 4.32Å; P503-V515 HydrophobicContact CB-CG1 3.63Å; P503-V515 HydrophobicContact CG-CG1 4.49Å; V505-V515 CarbonylContact O-C 3.45Å; V505-V515 VanDerWaalsContact O-CA 3.27Å; V505-V515 WeakPolarHBondContact O-CA 3.38Å; W506-V515 HydrophobicContact CD2-CG2 4.08Å; W506-V515 HydrophobicContact CE3-CB 4.42Å; W506-V515 HydrophobicContact CE3-CG1 4.11Å; W506-V515 HydrophobicContact CE3-CG2 3.42Å; W506-V515 VanDerWaalsContact CE3-CG2 3.42Å; W506-V515 HydrophobicContact CH2-CG2 4.49Å; W506-V515 HydrophobicContact CZ3-CG2 3.69Å; I513-V515 HydrophobicContact CG2-CG2 3.77Å; V515-I517 HydrophobicContact CG1-CB 4.22Å; V515-I517 HydrophobicContact CG1-CG2 4.17Å; V515-L525 HydrophobicContact CG1-CD2 3.92Å
516	I	95	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.1	162.4	-54.5	-174.9	0	0	0	107.6	I397 I399 E403 V404 M405 P503 K504 V505 F514 L565	I397-I516 HydrophobicContact CG2-CD1 4.07Å; I399-I516 HydrophobicContact CD1-CD1 4.47Å; I399-I516 HydrophobicContact CD1-CG2 4.06Å; I399-I516 HydrophobicContact CG1-CG2 4.2Å; E403-I516 HydrophobicContact CB-CG2 4.19Å; V404-I516 WeakPolarHBondContact O-CA 3.48Å; M405-I516 HydrophobicContact CG-CD1 4.29Å; M405-I516 HydrophobicContact CG-CG1 4.18Å; P503-I516 CarbonylContact C-O 3.53Å; K504-I516 PolarHBondContact N-O 2.9Å; V505-I516 HydrophobicContact CB-CB 3.84Å; V505-I516 HydrophobicContact CB-CD1 4.37Å; V505-I516 HydrophobicContact CB-CG1 3.99Å; V505-I516 HydrophobicContact CG2-CB 3.95Å; V505-I516 HydrophobicContact CG2-CD1 4.05Å; V505-I516 HydrophobicContact CG2-CG1 4.14Å; V505-I516 PolarHBondContact N-O 3.09Å; V505-I516 VanDerWaalsContact N-O 3.12Å; V505-I516 PolarHBondContact O-N 2.87Å; F514-I516 HydrophobicContact CE1-CD1 3.79Å; F514-I516 HydrophobicContact CE1-CG1 3.58Å; F514-I516 HydrophobicContact CZ-CD1 3.98Å; F514-I516 HydrophobicContact CZ-CG1 3.85Å; I516-L565 HydrophobicContact CD1-CD1 3.99Å
517	I	95.3	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161	-177.9	-172.2	162.3	0	0	0	109.5	E403 V404 F501 P503 V515 L522 L525	E403-I517 CarbonylContact C-O 3.6Å; E403-I517 WeakPolarHBondContact CA-O 3.44Å; V404-I517 HydrophobicContact CG1-CG2 4.41Å; V404-I517 PolarHBondContact N-O 3.18Å; V404-I517 PolarHBondContact O-N 3.45Å; F501-I517 HydrophobicContact CD1-CG1 4.26Å; F501-I517 WeakPolarHBondContact O-CD1 3.44Å; P503-I517 HydrophobicContact CB-CB 4.16Å; P503-I517 HydrophobicContact CB-CD1 4.24Å; P503-I517 HydrophobicContact CB-CG1 4.48Å; V515-I517 HydrophobicContact CG1-CB 4.22Å; V515-I517 HydrophobicContact CG1-CG2 4.17Å; I517-L522 HydrophobicContact CG2-CB 3.95Å; I517-L522 HydrophobicContact CG2-CD1 3.68Å; I517-L522 HydrophobicContact CG2-CG 4.4Å; I517-L525 HydrophobicContact CD1-CB 4.08Å; I517-L525 HydrophobicContact CD1-CD2 3.59Å; I517-L525 HydrophobicContact CD1-CG 4.45Å
518	K	94.6	Very high	92.9	Very high	62 Å²	62	44.1 Å²	44.1	27%	0.27	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	137.3	167.8	-72.4	-173.7	178.6	-119.2	0	111.3	D402 E403 F501 D520 Y521 L522	D402-K518 CarbonylContact O-C 3.5Å; D402-K518 VanDerWaalsContact O-CA 3.32Å; D402-K518 WeakPolarHBondContact O-CA 3.49Å; D402-K518 WeakPolarHBondContact OD2-CE 3.18Å; D402-K518 IonicContact OD2-NZ 2.95Å; D402-K518 PolarHBondContact OD2-NZ 3.24Å; E403-K518 HydrophobicContact CG-CG 4.43Å; F501-K518 HydrophobicContact CD1-CB 4.34Å; F501-K518 HydrophobicContact CD1-CD 4.23Å; F501-K518 HydrophobicContact CD1-CG 4.28Å; F501-K518 HydrophobicContact CE1-CB 4.22Å; F501-K518 HydrophobicContact CE1-CD 3.68Å; F501-K518 HydrophobicContact CE1-CG 3.69Å; F501-K518 HydrophobicContact CE2-CD 4.07Å; F501-K518 HydrophobicContact CZ-CD 3.6Å; F501-K518 VanDerWaalsContact CZ-CE 3.43Å; F501-K518 HydrophobicContact CZ-CG 4.06Å; K518-D520 VanDerWaalsContact C-N 3.27Å; K518-D520 PolarHBondContact O-N 3.03Å; K518-Y521 HydrophobicContact CB-CD2 3.9Å; K518-Y521 HydrophobicContact CD-CD2 4.47Å; K518-Y521 HydrophobicContact CD-CE2 4.47Å; K518-Y521 PolarHBondContact O-N 3.29Å; K518-Y521 VanDerWaalsContact O-N 3.12Å; K518-L522 PolarHBondContact O-N 2.74Å
519	Q	92.9	Very high	92.7	Very high	126 Å²	126	44.4 Å²	44.4	59%	0.589	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-55.1	-42	-174	-177.8	170.6	-22.5	0	0	112.5	D402 V404 Y521 L522	D402-Q519 PolarHBondContact O-N 2.88Å; V404-Q519 HydrophobicContact CB-CB 4.46Å; V404-Q519 HydrophobicContact CG1-CB 4.36Å; Q519-Y521 PolarHBondContact O-N 3.14Å; Q519-L522 PolarHBondContact O-N 3.08Å
520	D	94.1	Very high	92.7	Very high	143 Å²	143	41.4 Å²	41.4	77%	0.765	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-64.7	-25.2	-176.8	-60.6	-23.5	0	0	0	113.8	K518	K518-D520 VanDerWaalsContact C-N 3.27Å; K518-D520 PolarHBondContact O-N 3.03Å
521	Y	94.5	Very high	92.8	Very high	82 Å²	82	45 Å²	45	32%	0.322	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-103.1	-2.9	-175.1	-63.2	-82.6	0	0	0	113.5	V500 F501 K518 Q519 E523 E524 L525	V500-Y521 HydrophobicContact CG1-CE1 4.5Å; F501-Y521 HydrophobicContact CB-CD1 3.67Å; F501-Y521 HydrophobicContact CB-CD2 3.78Å; F501-Y521 HydrophobicContact CB-CE1 3.98Å; F501-Y521 HydrophobicContact CB-CE2 4.07Å; F501-Y521 HydrophobicContact CB-CG 3.55Å; F501-Y521 HydrophobicContact CD1-CD2 4.27Å; F501-Y521 HydrophobicContact CD2-CE2 4.48Å; F501-Y521 AromaticContact CG-CD2 4Å; F501-Y521 HydrophobicContact CG-CD2 4Å; F501-Y521 HydrophobicContact CG-CE2 4.21Å; F501-Y521 HydrophobicContact CG-CG 4.25Å; K518-Y521 HydrophobicContact CB-CD2 3.9Å; K518-Y521 HydrophobicContact CD-CD2 4.47Å; K518-Y521 HydrophobicContact CD-CE2 4.47Å; K518-Y521 PolarHBondContact O-N 3.29Å; K518-Y521 VanDerWaalsContact O-N 3.12Å; Q519-Y521 PolarHBondContact O-N 3.14Å; Y521-E523 VanDerWaalsContact C-N 3.34Å; Y521-E523 PolarHBondContact O-N 3.34Å; Y521-E524 WeakPolarHBondContact CD1-OE2 3.39Å; Y521-E524 PolarHBondContact O-N 3Å; Y521-L525 PolarHBondContact O-N 2.9Å
522	L	94	Very high	92.5	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-41.4	-179.4	178.2	64.3	0	0	0	111.9	V404 A406 F408 I517 K518 Q519 F526 I542	V404-L522 HydrophobicContact CG1-CB 4.35Å; V404-L522 HydrophobicContact CG1-CD2 3.85Å; A406-L522 HydrophobicContact CB-CD1 3.72Å; A406-L522 HydrophobicContact CB-CD2 4.12Å; F408-L522 HydrophobicContact CE1-CD1 4.11Å; F408-L522 HydrophobicContact CZ-CD1 3.87Å; I517-L522 HydrophobicContact CG2-CB 3.95Å; I517-L522 HydrophobicContact CG2-CD1 3.68Å; I517-L522 HydrophobicContact CG2-CG 4.4Å; K518-L522 PolarHBondContact O-N 2.74Å; Q519-L522 PolarHBondContact O-N 3.08Å; L522-F526 VanDerWaalsContact O-CB 3.3Å; L522-F526 WeakPolarHBondContact O-CB 3.44Å; L522-F526 PolarHBondContact O-N 3.33Å; L522-I542 HydrophobicContact CD2-CD1 3.75Å; L522-I542 HydrophobicContact CD2-CG1 3.91Å; L522-I542 HydrophobicContact CD2-CG2 4.44Å
523	E	94	Very high	91.9	Very high	109 Å²	109	41.8 Å²	41.8	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-65.4	-42.2	179	-66.5	-56.4	136	0	0	111.8	Y521 F526 A527 K540	Y521-E523 VanDerWaalsContact C-N 3.34Å; Y521-E523 PolarHBondContact O-N 3.34Å; E523-F526 PolarHBondContact O-N 3.18Å; E523-A527 WeakPolarHBondContact O-CB 3.49Å; E523-A527 PolarHBondContact O-N 3.17Å; E523-K540 IonicContact OE1-NZ 3.25Å; E523-K540 PolarHBondContact OE1-NZ 3.41Å; E523-K540 IonicContact OE2-NZ 2.65Å; E523-K540 PolarHBondContact OE2-NZ 2.84Å
524	E	93.8	Very high	90.9	Very high	56 Å²	56	50.9 Å²	50.9	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-50.8	176.8	-172.3	-151.1	130.4	0	0	111.1	V500 Y521 F526 A527 N528	V500-E524 WeakPolarHBondContact CG2-OE1 3.39Å; V500-E524 PolarHBondContact N-OE1 2.7Å; Y521-E524 WeakPolarHBondContact CD1-OE2 3.39Å; Y521-E524 PolarHBondContact O-N 3Å; E524-F526 VanDerWaalsContact C-N 3.3Å; E524-F526 PolarHBondContact O-N 3.07Å; E524-A527 PolarHBondContact O-N 2.7Å; E524-N528 WeakPolarHBondContact O-CB 3.38Å; E524-N528 VanDerWaalsContact O-CG 3.25Å; E524-N528 PolarHBondContact O-N 3.27Å; E524-N528 PolarHBondContact OE1-ND2 2.74Å
525	L	92.5	Very high	90.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-44.4	177.5	175.3	63.2	0	0	0	111.2	S499 P503 W506 V515 I517 Y521 A527 N528 V529	S499-L525 WeakPolarHBondContact OG-CD1 3.44Å; P503-L525 HydrophobicContact CB-CD2 4.04Å; P503-L525 HydrophobicContact CG-CD2 4.09Å; W506-L525 HydrophobicContact CE3-CD2 4.23Å; W506-L525 HydrophobicContact CZ3-CD1 4.01Å; W506-L525 HydrophobicContact CZ3-CD2 3.86Å; W506-L525 HydrophobicContact CZ3-CG 4.11Å; V515-L525 HydrophobicContact CG1-CD2 3.92Å; I517-L525 HydrophobicContact CD1-CB 4.08Å; I517-L525 HydrophobicContact CD1-CD2 3.59Å; I517-L525 HydrophobicContact CD1-CG 4.45Å; Y521-L525 PolarHBondContact O-N 2.9Å; L525-A527 PolarHBondContact O-N 3.35Å; L525-N528 PolarHBondContact O-N 2.62Å; L525-V529 HydrophobicContact CD1-CG2 4.38Å; L525-V529 VanDerWaalsContact O-CG2 3.23Å; L525-V529 WeakPolarHBondContact O-CG2 3.37Å; L525-V529 PolarHBondContact O-N 2.71Å
526	F	92.9	Very high	89.8	Confident	36 Å²	36	54.6 Å²	54.6	16%	0.158	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-39.7	178.3	-178.3	-107.7	0	0	0	112.5	F408 L522 E523 E524 N530 L538 K540	F408-F526 HydrophobicContact CD1-CD2 4.11Å; F408-F526 HydrophobicContact CD1-CE2 4.48Å; F408-F526 AromaticContact CE1-CD2 3.88Å; F408-F526 HydrophobicContact CE1-CD2 3.88Å; F408-F526 HydrophobicContact CZ-CB 4.29Å; F408-F526 HydrophobicContact CZ-CD2 4.13Å; L522-F526 VanDerWaalsContact O-CB 3.3Å; L522-F526 WeakPolarHBondContact O-CB 3.44Å; L522-F526 PolarHBondContact O-N 3.33Å; E523-F526 PolarHBondContact O-N 3.18Å; E524-F526 VanDerWaalsContact C-N 3.3Å; E524-F526 PolarHBondContact O-N 3.07Å; F526-N530 WeakPolarHBondContact CE1-ND2 3.35Å; F526-N530 WeakPolarHBondContact CE2-ND2 3.45Å; F526-N530 VanDerWaalsContact CZ-ND2 3.25Å; F526-N530 WeakPolarHBondContact CZ-ND2 3.44Å; F526-N530 PolarHBondContact O-N 2.81Å; F526-N530 PolarHBondContact O-ND2 3.06Å; F526-N530 VanDerWaalsContact O-ND2 3.13Å; F526-L538 HydrophobicContact CE2-CB 4.19Å; F526-L538 WeakPolarHBondContact CE2-O 3.48Å; F526-L538 WeakPolarHBondContact CZ-O 3.12Å; F526-K540 HydrophobicContact CB-CD 4.34Å; F526-K540 HydrophobicContact CD1-CD 3.94Å; F526-K540 HydrophobicContact CD2-CB 3.97Å; F526-K540 HydrophobicContact CD2-CD 3.86Å; F526-K540 HydrophobicContact CD2-CG 4.17Å; F526-K540 HydrophobicContact CE1-CD 4.16Å; F526-K540 HydrophobicContact CE1-CG 4.33Å; F526-K540 HydrophobicContact CE2-CB 3.73Å; F526-K540 HydrophobicContact CE2-CD 4.09Å; F526-K540 HydrophobicContact CE2-CG 3.91Å; F526-K540 HydrophobicContact CG-CD 3.77Å; F526-K540 HydrophobicContact CG-CG 4.48Å; F526-K540 HydrophobicContact CZ-CB 4.28Å; F526-K540 HydrophobicContact CZ-CD 4.22Å; F526-K540 HydrophobicContact CZ-CG 3.99Å
527	A	91.1	Very high	89.4	Confident	41 Å²	41	58.8 Å²	58.8	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-44.4	174.2	0	0	0	0	0	111.5	E523 E524 L525 V529 N530 N531	E523-A527 WeakPolarHBondContact O-CB 3.49Å; E523-A527 PolarHBondContact O-N 3.17Å; E524-A527 PolarHBondContact O-N 2.7Å; L525-A527 PolarHBondContact O-N 3.35Å; A527-V529 VanDerWaalsContact C-N 3.32Å; A527-V529 PolarHBondContact O-N 3.45Å; A527-N530 PolarHBondContact O-N 2.79Å; A527-N531 WeakPolarHBondContact O-CB 3.12Å; A527-N531 PolarHBondContact O-N 3Å; A527-N531 PolarHBondContact O-ND2 3.3Å
528	N	89.5	Confident	89.3	Confident	31 Å²	31	59.1 Å²	59.1	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-57	-44.9	178	-73.2	-16.5	0	0	0	111.8	S499 E524 L525 N531 I532	S499-N528 PolarHBondContact OG-ND2 2.82Å; E524-N528 WeakPolarHBondContact O-CB 3.38Å; E524-N528 VanDerWaalsContact O-CG 3.25Å; E524-N528 PolarHBondContact O-N 3.27Å; E524-N528 PolarHBondContact OE1-ND2 2.74Å; L525-N528 PolarHBondContact O-N 2.62Å; N528-N531 PolarHBondContact O-N 3.46Å; N528-I532 VanDerWaalsContact O-CD1 3.29Å; N528-I532 WeakPolarHBondContact O-CD1 3.47Å; N528-I532 VanDerWaalsContact O-CG1 3.23Å; N528-I532 WeakPolarHBondContact O-CG1 3.28Å; N528-I532 PolarHBondContact O-N 2.75Å
529	V	89.3	Confident	89.2	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-46.8	180	-177.9	0	0	0	0	111.3	A495 W506 L525 A527 N531 I532 L538	A495-V529 HydrophobicContact CB-CB 4.32Å; A495-V529 HydrophobicContact CB-CG2 3.51Å; W506-V529 HydrophobicContact CH2-CG2 3.78Å; W506-V529 HydrophobicContact CZ3-CG2 4.4Å; L525-V529 HydrophobicContact CD1-CG2 4.38Å; L525-V529 VanDerWaalsContact O-CG2 3.23Å; L525-V529 WeakPolarHBondContact O-CG2 3.37Å; L525-V529 PolarHBondContact O-N 2.71Å; A527-V529 VanDerWaalsContact C-N 3.32Å; A527-V529 PolarHBondContact O-N 3.45Å; V529-N531 VanDerWaalsContact C-N 3.3Å; V529-N531 PolarHBondContact O-N 2.88Å; V529-I532 PolarHBondContact O-N 2.75Å; V529-L538 HydrophobicContact CG1-CD1 3.69Å; V529-L538 HydrophobicContact CG1-CD2 3.6Å; V529-L538 HydrophobicContact CG1-CG 4.23Å
530	N	90.5	Very high	89.2	Confident	29 Å²	29	56.2 Å²	56.2	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-25.3	-179.9	-73.6	-47.4	0	0	0	113.1	F526 A527 L538	F526-N530 WeakPolarHBondContact CE1-ND2 3.35Å; F526-N530 WeakPolarHBondContact CE2-ND2 3.45Å; F526-N530 VanDerWaalsContact CZ-ND2 3.25Å; F526-N530 WeakPolarHBondContact CZ-ND2 3.44Å; F526-N530 PolarHBondContact O-N 2.81Å; F526-N530 PolarHBondContact O-ND2 3.06Å; F526-N530 VanDerWaalsContact O-ND2 3.13Å; A527-N530 PolarHBondContact O-N 2.79Å; N530-L538 PolarHBondContact OD1-N 2.68Å
531	N	88.4	Confident	89.2	Confident	123 Å²	123	55.3 Å²	55.3	66%	0.658	28%	0.277	S	S	*	.	H	α-helix	trans	-80.9	-12.5	178.4	-70.5	-18.7	0	0	0	114.1	A527 N528 V529	A527-N531 WeakPolarHBondContact O-CB 3.12Å; A527-N531 PolarHBondContact O-N 3Å; A527-N531 PolarHBondContact O-ND2 3.3Å; N528-N531 PolarHBondContact O-N 3.46Å; V529-N531 VanDerWaalsContact C-N 3.3Å; V529-N531 PolarHBondContact O-N 2.88Å
532	I	83.9	Confident	89.2	Confident	15 Å²	15	55.1 Å²	55.1	8%	0.077	28%	0.281	C	S	.	.	S	Bend	trans	-78.1	-25.7	-178.6	-70.2	156.9	0	0	0	112.6	R421 L491 A495 R498 N528 V529	R421-I532 PolarHBondContact NH1-O 3.3Å; L491-I532 HydrophobicContact CD2-CB 4.31Å; L491-I532 HydrophobicContact CD2-CG2 3.42Å; L491-I532 VanDerWaalsContact CD2-CG2 3.42Å; A495-I532 HydrophobicContact CB-CD1 3.55Å; A495-I532 VanDerWaalsContact N-CD1 3.34Å; R498-I532 VanDerWaalsContact NH1-CG1 3.29Å; N528-I532 VanDerWaalsContact O-CD1 3.29Å; N528-I532 WeakPolarHBondContact O-CD1 3.47Å; N528-I532 VanDerWaalsContact O-CG1 3.23Å; N528-I532 WeakPolarHBondContact O-CG1 3.28Å; N528-I532 PolarHBondContact O-N 2.75Å; V529-I532 PolarHBondContact O-N 2.75Å
533	S	79.3	Confident	89.1	Confident	8 Å²	8	56.2 Å²	56.2	6%	0.056	29%	0.286	C	S	.	.			trans	-146.6	110.1	-175.4	-179.5	0	0	0	0	111.2	Q535 I536	S533-Q535 PolarHBondContact O-N 3.04Å; S533-I536 PolarHBondContact O-N 3.38Å; S533-I536 VanDerWaalsContact O-N 3.16Å
534	E	73.8	Confident	88.8	Confident	192 Å²	192	53.4 Å²	53.4	90%	0.897	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.5	178.3	-61.2	179.5	177.3	0	0	113.6
535	Q	81.3	Confident	88.3	Confident	78 Å²	78	57.4 Å²	57.4	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24	-177.1	-63.5	-175.8	-27.8	0	0	113.8	N416 P418 S533	N416-Q535 WeakPolarHBondContact CB-O 3.48Å; N416-Q535 PolarHBondContact ND2-O 2.88Å; N416-Q535 WeakPolarHBondContact O-CB 3.48Å; P418-Q535 VanDerWaalsContact CB-OE1 3.22Å; S533-Q535 PolarHBondContact O-N 3.04Å
536	I	84.6	Confident	87.9	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.337	C	S	.	.			trans	-111.4	111.1	-174.2	-59.4	-137.6	0	0	0	109	V410 L413 N416 V417 F487 L491 S533 L538	V410-I536 HydrophobicContact CG1-CG2 3.6Å; L413-I536 HydrophobicContact CD1-CD1 3.98Å; N416-I536 HydrophobicContact CB-CG1 4.35Å; V417-I536 HydrophobicContact CG2-CD1 4.05Å; F487-I536 HydrophobicContact CD1-CD1 3.99Å; F487-I536 HydrophobicContact CE1-CD1 3.39Å; F487-I536 HydrophobicContact CE1-CG1 3.96Å; F487-I536 HydrophobicContact CZ-CD1 4.37Å; L491-I536 HydrophobicContact CD1-CB 4.48Å; L491-I536 HydrophobicContact CD1-CD1 4.5Å; L491-I536 HydrophobicContact CD1-CG2 4.46Å; S533-I536 PolarHBondContact O-N 3.38Å; S533-I536 VanDerWaalsContact O-N 3.16Å; I536-L538 HydrophobicContact CG2-CD1 4Å
537	N	88.1	Confident	87.7	Confident	87 Å²	87	65.3 Å²	65.3	47%	0.465	35%	0.348	S	S	.	.			trans	-105.1	137.1	175.6	-65.6	-33.9	0	0	0	110.6	S411	S411-N537 VanDerWaalsContact CB-O 3.3Å; S411-N537 WeakPolarHBondContact CB-O 3.45Å; S411-N537 PolarHBondContact N-O 3.18Å
538	L	91.4	Very high	87.7	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.6	173	-71.9	74.2	0	0	0	109.5	F408 D409 V410 I513 F526 V529 N530 I536	F408-L538 HydrophobicContact CB-CD2 3.82Å; F408-L538 HydrophobicContact CD2-CD2 4.29Å; F408-L538 HydrophobicContact CG-CD2 4.41Å; D409-L538 CarbonylContact O-C 3.51Å; D409-L538 WeakPolarHBondContact O-CA 3.48Å; V410-L538 HydrophobicContact CG2-CD2 4.46Å; V410-L538 HydrophobicContact CG2-CG 4.13Å; I513-L538 HydrophobicContact CD1-CD2 3.78Å; F526-L538 HydrophobicContact CE2-CB 4.19Å; F526-L538 WeakPolarHBondContact CE2-O 3.48Å; F526-L538 WeakPolarHBondContact CZ-O 3.12Å; V529-L538 HydrophobicContact CG1-CD1 3.69Å; V529-L538 HydrophobicContact CG1-CD2 3.6Å; V529-L538 HydrophobicContact CG1-CG 4.23Å; N530-L538 PolarHBondContact OD1-N 2.68Å; I536-L538 HydrophobicContact CG2-CD1 4Å
539	T	92.7	Very high	88	Confident	72 Å²	72	65.6 Å²	65.6	44%	0.442	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152.3	165.3	54.4	0	0	0	0	109.2	F408 D409	F408-T539 CarbonylContact C-O 3.55Å; F408-T539 VanDerWaalsContact CA-O 3.26Å; F408-T539 WeakPolarHBondContact CA-O 3.09Å; D409-T539 PolarHBondContact N-O 2.92Å; D409-T539 PolarHBondContact O-N 2.91Å; D409-T539 PolarHBondContact O-OG1 2.99Å
540	K	94.4	Very high	88.1	Confident	54 Å²	54	66.4 Å²	66.4	24%	0.235	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.4	178.2	64.5	177.5	168.3	-170.2	0	113	S407 F408 E523 F526	S407-K540 CarbonylContact O-C 3.51Å; S407-K540 VanDerWaalsContact O-CA 3.3Å; S407-K540 WeakPolarHBondContact O-CA 3.31Å; F408-K540 HydrophobicContact CD1-CB 3.46Å; F408-K540 VanDerWaalsContact CD1-CB 3.46Å; F408-K540 HydrophobicContact CE1-CB 3.64Å; F408-K540 HydrophobicContact CE1-CD 4.39Å; E523-K540 IonicContact OE1-NZ 3.25Å; E523-K540 PolarHBondContact OE1-NZ 3.41Å; E523-K540 IonicContact OE2-NZ 2.65Å; E523-K540 PolarHBondContact OE2-NZ 2.84Å; F526-K540 HydrophobicContact CB-CD 4.34Å; F526-K540 HydrophobicContact CD1-CD 3.94Å; F526-K540 HydrophobicContact CD2-CB 3.97Å; F526-K540 HydrophobicContact CD2-CD 3.86Å; F526-K540 HydrophobicContact CD2-CG 4.17Å; F526-K540 HydrophobicContact CE1-CD 4.16Å; F526-K540 HydrophobicContact CE1-CG 4.33Å; F526-K540 HydrophobicContact CE2-CB 3.73Å; F526-K540 HydrophobicContact CE2-CD 4.09Å; F526-K540 HydrophobicContact CE2-CG 3.91Å; F526-K540 HydrophobicContact CG-CD 3.77Å; F526-K540 HydrophobicContact CG-CG 4.48Å; F526-K540 HydrophobicContact CZ-CB 4.28Å; F526-K540 HydrophobicContact CZ-CD 4.22Å; F526-K540 HydrophobicContact CZ-CG 3.99Å
541	E	94.2	Very high	88.2	Confident	125 Å²	125	65.1 Å²	65.1	58%	0.584	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.9	166	-65.3	-177.6	180	0	0	107.6	A406 S407 L549	A406-E541 CarbonylContact C-O 3.54Å; A406-E541 WeakPolarHBondContact CA-O 3.2Å; S407-E541 PolarHBondContact N-O 3.4Å; S407-E541 PolarHBondContact O-N 3.33Å; E541-L549 HydrophobicContact CB-CD1 4.44Å
542	I	94.5	Very high	88.1	Confident	78 Å²	78	60.9 Å²	60.9	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	153.1	178	-53.1	177.3	0	0	0	107.7	V404 L522	V404-I542 HydrophobicContact CG2-CG2 3.64Å; L522-I542 HydrophobicContact CD2-CD1 3.75Å; L522-I542 HydrophobicContact CD2-CG1 3.91Å; L522-I542 HydrophobicContact CD2-CG2 4.44Å
543	E	91.1	Very high	88.3	Confident	27 Å²	27	63.7 Å²	63.7	13%	0.126	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-49.4	142.9	172.9	66	176	-131.8	0	0	112.8	V404 M405 H547 K548 L549 R558	V404-E543 HydrophobicContact CG2-CG 3.69Å; M405-E543 HydrophobicContact CB-CB 4.39Å; M405-E543 HydrophobicContact CE-CB 4.35Å; M405-E543 VanDerWaalsContact CE-OE2 3.28Å; M405-E543 WeakPolarHBondContact CE-OE2 3.21Å; M405-E543 PolarHBondContact N-OE2 3.05Å; M405-E543 PolarHBondContact O-N 3.05Å; E543-H547 IonicContact OE1-CE1 2.72Å; E543-H547 IonicContact OE1-CG 2.92Å; E543-H547 IonicContact OE1-ND1 2.93Å; E543-H547 PolarHBondContact OE1-ND1 2.95Å; E543-K548 WeakPolarHBondContact CA-O 3.43Å; E543-L549 HydrophobicContact CB-CB 4.34Å; E543-R558 IonicContact OE1-CZ 3.61Å; E543-R558 IonicContact OE1-NE 3.92Å; E543-R558 PolarHBondContact OE1-NE 3.49Å; E543-R558 VanDerWaalsContact OE1-NE 3.08Å; E543-R558 IonicContact OE1-NH2 3.94Å; E543-R558 PolarHBondContact OE1-NH2 3.03Å; E543-R558 IonicContact OE2-CZ 3.83Å; E543-R558 IonicContact OE2-NE 2.77Å; E543-R558 PolarHBondContact OE2-NE 3.26Å; E543-R558 IonicContact OE2-NH2 3.55Å; E543-R558 PolarHBondContact OE2-NH2 3.44Å
544	S	88.1	Confident	88.8	Confident	51 Å²	51	63.3 Å²	63.3	36%	0.357	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.1	167.8	179.1	67.6	0	0	0	0	111.9	D546 H547 K548	S544-D546 PolarHBondContact O-N 2.83Å; S544-D546 VanDerWaalsContact O-N 3.1Å; S544-D546 PolarHBondContact OG-N 3.32Å; S544-H547 WeakPolarHBondContact O-CA 3.43Å; S544-H547 PolarHBondContact O-N 2.86Å; S544-K548 PolarHBondContact N-O 3.04Å; S544-K548 PolarHBondContact OG-N 3.4Å; S544-K548 PolarHBondContact OG-O 3.38Å
545	V	82.9	Confident	89.7	Confident	139 Å²	139	56.2 Å²	56.2	84%	0.842	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.2	171	-174.7	0	0	0	0	112.7	H547	V545-H547 PolarHBondContact O-N 3.26Å
546	D	84.3	Confident	90.3	Very high	124 Å²	124	52.5 Å²	52.5	66%	0.663	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	11.9	175.3	-60	-38.8	0	0	0	114	S544 K548	S544-D546 PolarHBondContact O-N 2.83Å; S544-D546 VanDerWaalsContact O-N 3.1Å; S544-D546 PolarHBondContact OG-N 3.32Å; D546-K548 HydrophobicContact CB-CD 4.32Å; D546-K548 HydrophobicContact CB-CG 4.06Å; D546-K548 VanDerWaalsContact O-CG 3.32Å; D546-K548 WeakPolarHBondContact O-CG 3.45Å; D546-K548 PolarHBondContact O-N 3.49Å
547	H	88.6	Confident	90.6	Very high	80 Å²	80	53.9 Å²	53.9	37%	0.37	29%	0.286	S	S	.	.	S	Bend	trans	54.3	45.2	-174.7	-57.7	-68.7	0	0	0	114.1	E543 S544 V545 E557 R558	E543-H547 IonicContact OE1-CE1 2.72Å; E543-H547 IonicContact OE1-CG 2.92Å; E543-H547 IonicContact OE1-ND1 2.93Å; E543-H547 PolarHBondContact OE1-ND1 2.95Å; S544-H547 WeakPolarHBondContact O-CA 3.43Å; S544-H547 PolarHBondContact O-N 2.86Å; V545-H547 PolarHBondContact O-N 3.26Å; H547-E557 WeakPolarHBondContact O-CA 3.14Å; H547-R558 HydrophobicContact CB-CB 3.85Å; H547-R558 HydrophobicContact CB-CG 3.77Å; H547-R558 PolarHBondContact O-N 2.99Å
548	K	92	Very high	90.7	Very high	72 Å²	72	51.9 Å²	51.9	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.8	179.9	-50	-168.1	177.4	-160.6	0	111.3	E543 S544 D546 M555 I556 E557	E543-K548 WeakPolarHBondContact CA-O 3.43Å; S544-K548 PolarHBondContact N-O 3.04Å; S544-K548 PolarHBondContact OG-N 3.4Å; S544-K548 PolarHBondContact OG-O 3.38Å; D546-K548 HydrophobicContact CB-CD 4.32Å; D546-K548 HydrophobicContact CB-CG 4.06Å; D546-K548 VanDerWaalsContact O-CG 3.32Å; D546-K548 WeakPolarHBondContact O-CG 3.45Å; D546-K548 PolarHBondContact O-N 3.49Å; K548-M555 HydrophobicContact CB-SD 3.86Å; K548-I556 CarbonylContact C-O 3.55Å; K548-I556 VanDerWaalsContact CA-O 3.23Å; K548-I556 WeakPolarHBondContact CA-O 3.41Å; K548-E557 HydrophobicContact CB-CG 4.39Å; K548-E557 HydrophobicContact CD-CG 3.87Å; K548-E557 WeakPolarHBondContact CD-OE1 3.31Å; K548-E557 VanDerWaalsContact CE-CD 3.49Å; K548-E557 VanDerWaalsContact CE-OE1 3.31Å; K548-E557 WeakPolarHBondContact CE-OE1 3.46Å; K548-E557 HydrophobicContact CG-CB 4.31Å; K548-E557 HydrophobicContact CG-CG 3.85Å; K548-E557 VanDerWaalsContact NZ-CD 3.29Å; K548-E557 IonicContact NZ-OE1 2.7Å; K548-E557 PolarHBondContact NZ-OE1 3.1Å; K548-E557 IonicContact NZ-OE2 3.79Å
549	L	94.4	Very high	90.4	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130.9	173.2	-173.1	64.4	0	0	0	110.5	M405 F514 E541 E543 I556	M405-L549 HydrophobicContact CB-CD2 3.8Å; F514-L549 HydrophobicContact CD2-CD2 4.15Å; F514-L549 HydrophobicContact CE2-CD2 3.9Å; E541-L549 HydrophobicContact CB-CD1 4.44Å; E543-L549 HydrophobicContact CB-CB 4.34Å; L549-I556 PolarHBondContact N-O 2.79Å; L549-I556 PolarHBondContact O-N 3.4Å
550	A	92.5	Very high	89.5	Confident	25 Å²	25	58.7 Å²	58.7	21%	0.207	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.3	173.8	0	0	0	0	0	109.8	Y554 M555 F570	A550-Y554 WeakPolarHBondContact CA-O 3.32Å; A550-M555 HydrophobicContact CB-CE 4.49Å; A550-M555 HydrophobicContact CB-SD 4.48Å; A550-F570 HydrophobicContact CB-CD1 3.92Å; A550-F570 HydrophobicContact CB-CD2 4.03Å; A550-F570 HydrophobicContact CB-CE1 3.73Å; A550-F570 HydrophobicContact CB-CE2 3.85Å; A550-F570 HydrophobicContact CB-CG 4.06Å; A550-F570 HydrophobicContact CB-CZ 3.69Å
551	F	91.5	Very high	88.4	Confident	3 Å²	3	63.5 Å²	63.5	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	124.5	175.2	-175.6	-106.8	0	0	0	109.8	F390 D512 I513 F514 D553 Y554 I556	F390-F551 HydrophobicContact CD2-CD1 4.18Å; F390-F551 AromaticContact CD2-CE1 3.92Å; F390-F551 HydrophobicContact CD2-CE1 3.92Å; F390-F551 HydrophobicContact CE1-CD1 4.02Å; F390-F551 AromaticContact CE2-CD1 3.6Å; F390-F551 HydrophobicContact CE2-CD1 3.6Å; F390-F551 AromaticContact CE2-CE1 3.61Å; F390-F551 HydrophobicContact CE2-CE1 3.61Å; F390-F551 AromaticContact CZ-CD1 3.5Å; F390-F551 HydrophobicContact CZ-CD1 3.5Å; F390-F551 VanDerWaalsContact CZ-CD1 3.5Å; F390-F551 HydrophobicContact CZ-CE1 4.03Å; F390-F551 HydrophobicContact CZ-CG 4.36Å; D512-F551 HydrophobicContact CB-CE2 3.75Å; D512-F551 HydrophobicContact CB-CZ 4.11Å; I513-F551 VanDerWaalsContact C-CE2 3.48Å; F514-F551 HydrophobicContact CB-CD1 4.05Å; F514-F551 HydrophobicContact CB-CD2 3.87Å; F514-F551 HydrophobicContact CB-CE1 3.84Å; F514-F551 HydrophobicContact CB-CE2 3.66Å; F514-F551 HydrophobicContact CB-CG 4.07Å; F514-F551 HydrophobicContact CB-CZ 3.64Å; F514-F551 HydrophobicContact CD2-CB 4.22Å; F514-F551 HydrophobicContact CD2-CD1 4.49Å; F514-F551 HydrophobicContact CD2-CD2 4.35Å; F514-F551 HydrophobicContact CD2-CG 4.11Å; F514-F551 HydrophobicContact CG-CD1 4.49Å; F514-F551 HydrophobicContact CG-CG 4.45Å; F551-D553 PolarHBondContact O-N 2.78Å; F551-D553 VanDerWaalsContact O-N 3.14Å; F551-Y554 PolarHBondContact N-O 3.29Å; F551-Y554 WeakPolarHBondContact O-CA 2.91Å; F551-Y554 WeakPolarHBondContact O-CB 3.1Å; F551-Y554 WeakPolarHBondContact O-CD2 3.33Å; F551-Y554 PolarHBondContact O-N 3.21Å; F551-I556 HydrophobicContact CB-CD1 3.99Å
552	L	87.5	Confident	87.4	Confident	33 Å²	33	61.1 Å²	61.1	17%	0.173	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-115.7	-173.1	-57.5	173.4	0	0	0	112.6	Y509 D512 Y554	Y509-L552 HydrophobicContact CD1-CD1 4.32Å; Y509-L552 HydrophobicContact CD1-CD2 3.62Å; Y509-L552 HydrophobicContact CE1-CD2 4.36Å; Y509-L552 HydrophobicContact CG-CD1 4.03Å; Y509-L552 HydrophobicContact CG-CD2 4.11Å; D512-L552 HydrophobicContact CB-CD2 4.04Å; D512-L552 VanDerWaalsContact OD2-CD2 3.31Å; D512-L552 WeakPolarHBondContact OD2-CD2 3.38Å; L552-Y554 HydrophobicContact CB-CD2 4.31Å
553	D	87.1	Confident	86.7	Confident	75 Å²	75	63 Å²	63	40%	0.401	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.8	176.9	-74.2	-19.4	0	0	0	112.1	F551 F570	F551-D553 PolarHBondContact O-N 2.78Å; F551-D553 VanDerWaalsContact O-N 3.14Å; D553-F570 PolarHBondContact O-N 3.01Å
554	Y	90	Very high	86.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.1	-174.6	-55.2	-61.1	0	0	0	112.7	S387 F390 A550 F551 L552 I567 F570 L605	S387-Y554 WeakPolarHBondContact CA-OH 3.28Å; S387-Y554 WeakPolarHBondContact CB-OH 3.46Å; S387-Y554 PolarHBondContact O-OH 2.99Å; F390-Y554 HydrophobicContact CB-CE2 4.22Å; F390-Y554 AromaticContact CD1-CD2 3.42Å; F390-Y554 HydrophobicContact CD1-CD2 3.42Å; F390-Y554 VanDerWaalsContact CD1-CD2 3.42Å; F390-Y554 AromaticContact CD1-CE2 3.32Å; F390-Y554 HydrophobicContact CD1-CE2 3.32Å; F390-Y554 HydrophobicContact CD1-CG 4.26Å; F390-Y554 AromaticContact CE1-CD2 3.58Å; F390-Y554 HydrophobicContact CE1-CD2 3.58Å; F390-Y554 HydrophobicContact CE1-CE2 4.01Å; F390-Y554 HydrophobicContact CE1-CG 4.19Å; F390-Y554 HydrophobicContact CG-CD2 4.4Å; F390-Y554 HydrophobicContact CG-CE2 4.06Å; A550-Y554 WeakPolarHBondContact CA-O 3.32Å; F551-Y554 PolarHBondContact N-O 3.29Å; F551-Y554 WeakPolarHBondContact O-CA 2.91Å; F551-Y554 WeakPolarHBondContact O-CB 3.1Å; F551-Y554 WeakPolarHBondContact O-CD2 3.33Å; F551-Y554 PolarHBondContact O-N 3.21Å; L552-Y554 HydrophobicContact CB-CD2 4.31Å; Y554-I567 HydrophobicContact CD1-CG2 3.35Å; Y554-I567 HydrophobicContact CE1-CG2 3.96Å; Y554-I567 HydrophobicContact CG-CG2 4.12Å; Y554-F570 WeakPolarHBondContact O-CB 3.44Å; Y554-L605 HydrophobicContact CD1-CD1 4.36Å; Y554-L605 HydrophobicContact CE1-CB 4.07Å; Y554-L605 HydrophobicContact CE1-CD1 3.62Å; Y554-L605 HydrophobicContact CE1-CD2 3.71Å; Y554-L605 HydrophobicContact CE1-CG 3.97Å; Y554-L605 WeakPolarHBondContact OH-CD2 3Å
555	M	93.1	Very high	86.7	Confident	43 Å²	43	63.5 Å²	63.5	21%	0.212	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109	157.8	-177.1	62.6	85.1	0	0	106.3	K548 A550 E557 N568 F570	K548-M555 HydrophobicContact CB-SD 3.86Å; A550-M555 HydrophobicContact CB-CE 4.49Å; A550-M555 HydrophobicContact CB-SD 4.48Å; M555-E557 HydrophobicContact CG-CG 3.94Å; M555-N568 HydrophobicContact CB-CB 4.18Å; M555-N568 PolarHBondContact N-O 3.37Å; M555-N568 PolarHBondContact O-N 2.99Å; M555-F570 HydrophobicContact CB-CB 4.14Å; M555-F570 HydrophobicContact CE-CD2 3.55Å; M555-F570 HydrophobicContact CE-CE2 3.77Å
556	I	93.1	Very high	87	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.7	-179.9	-53.4	163.7	0	0	0	106.4	F390 M405 F514 K548 L549 F551 L565 K566	F390-I556 HydrophobicContact CE1-CD1 3.73Å; F390-I556 HydrophobicContact CE1-CG1 4.34Å; F390-I556 HydrophobicContact CZ-CD1 3.51Å; M405-I556 HydrophobicContact CE-CG2 4.33Å; M405-I556 HydrophobicContact SD-CB 4.41Å; M405-I556 HydrophobicContact SD-CG2 3.61Å; F514-I556 HydrophobicContact CD2-CD1 3.96Å; F514-I556 HydrophobicContact CE2-CD1 3.39Å; F514-I556 HydrophobicContact CZ-CD1 3.89Å; K548-I556 CarbonylContact C-O 3.55Å; K548-I556 VanDerWaalsContact CA-O 3.23Å; K548-I556 WeakPolarHBondContact CA-O 3.41Å; L549-I556 PolarHBondContact N-O 2.79Å; L549-I556 PolarHBondContact O-N 3.4Å; F551-I556 HydrophobicContact CB-CD1 3.99Å; I556-L565 HydrophobicContact CG2-CB 4.14Å; I556-L565 HydrophobicContact CG2-CD1 4.11Å; I556-L565 HydrophobicContact CG2-CD2 4.12Å; I556-L565 HydrophobicContact CG2-CG 4.35Å; I556-K566 CarbonylContact C-O 3.59Å; I556-K566 WeakPolarHBondContact CA-O 3.01Å
557	E	91.6	Very high	87.3	Confident	29 Å²	29	52.7 Å²	52.7	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.2	-176.3	-50.1	-174.3	163.2	0	0	108.7	H547 K548 M555 K566	H547-E557 WeakPolarHBondContact O-CA 3.14Å; K548-E557 HydrophobicContact CB-CG 4.39Å; K548-E557 HydrophobicContact CD-CG 3.87Å; K548-E557 WeakPolarHBondContact CD-OE1 3.31Å; K548-E557 VanDerWaalsContact CE-CD 3.49Å; K548-E557 VanDerWaalsContact CE-OE1 3.31Å; K548-E557 WeakPolarHBondContact CE-OE1 3.46Å; K548-E557 HydrophobicContact CG-CB 4.31Å; K548-E557 HydrophobicContact CG-CG 3.85Å; K548-E557 VanDerWaalsContact NZ-CD 3.29Å; K548-E557 IonicContact NZ-OE1 2.7Å; K548-E557 PolarHBondContact NZ-OE1 3.1Å; K548-E557 IonicContact NZ-OE2 3.79Å; M555-E557 HydrophobicContact CG-CG 3.94Å; E557-K566 HydrophobicContact CB-CB 4.4Å; E557-K566 PolarHBondContact N-O 3.07Å; E557-K566 PolarHBondContact O-N 3.38Å
558	R	90	Very high	87.5	Confident	45 Å²	45	50.1 Å²	50.1	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.8	171.6	-62.5	-173.4	-169.5	-144.3	1.5	110.2	I399 E400 E403 M405 E543 H547 L565	I399-R558 HydrophobicContact CG2-CG 4.16Å; E400-R558 PolarHBondContact O-NH1 2.92Å; E403-R558 PolarHBondContact O-NH1 2.84Å; E403-R558 VanDerWaalsContact O-NH1 3.15Å; E403-R558 PolarHBondContact O-NH2 2.92Å; M405-R558 HydrophobicContact CE-CG 3.92Å; E543-R558 IonicContact OE1-CZ 3.61Å; E543-R558 IonicContact OE1-NE 3.92Å; E543-R558 PolarHBondContact OE1-NE 3.49Å; E543-R558 VanDerWaalsContact OE1-NE 3.08Å; E543-R558 IonicContact OE1-NH2 3.94Å; E543-R558 PolarHBondContact OE1-NH2 3.03Å; E543-R558 IonicContact OE2-CZ 3.83Å; E543-R558 IonicContact OE2-NE 2.77Å; E543-R558 PolarHBondContact OE2-NE 3.26Å; E543-R558 IonicContact OE2-NH2 3.55Å; E543-R558 PolarHBondContact OE2-NH2 3.44Å; H547-R558 HydrophobicContact CB-CB 3.85Å; H547-R558 HydrophobicContact CB-CG 3.77Å; H547-R558 PolarHBondContact O-N 2.99Å; R558-L565 HydrophobicContact CG-CD2 4.15Å
559	R	84.6	Confident	87.4	Confident	63 Å²	63	47.5 Å²	47.5	24%	0.238	23%	0.232	C	C	.	.			trans	-84.2	125.6	166.4	-67.8	180	168.9	162.6	-3	109	N561 N562 K564 K566 T607 D608	R559-N561 PolarHBondContact O-N 3.14Å; R559-N562 WeakPolarHBondContact CB-OD1 3.41Å; R559-N562 WeakPolarHBondContact CD-OD1 3.37Å; R559-K564 VanDerWaalsContact CB-O 3.22Å; R559-K564 WeakPolarHBondContact CB-O 3.35Å; R559-K564 WeakPolarHBondContact CG-O 3.3Å; R559-K564 PolarHBondContact N-O 3.3Å; R559-K566 HydrophobicContact CG-CB 3.8Å; R559-T607 VanDerWaalsContact NH2-CG2 3.27Å; R559-D608 IonicContact CZ-OD1 3.8Å; R559-D608 IonicContact NE-OD1 2.77Å; R559-D608 IonicContact NH2-OD1 3.82Å; R559-D608 PolarHBondContact NH2-OD1 3.23Å; R559-D608 IonicContact NH2-OD2 2.64Å
560	L	73.5	Confident	87.2	Confident	161 Å²	161	49.8 Å²	49.8	84%	0.843	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.6	179.4	-63	170.1	0	0	0	113.1
561	N	71.5	Confident	87	Confident	155 Å²	155	50.2 Å²	50.2	83%	0.829	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-16.9	-163.5	-60.4	7.5	0	0	0	114.8	R559	R559-N561 PolarHBondContact O-N 3.14Å
562	N	73.3	Confident	86.7	Confident	74 Å²	74	54.3 Å²	54.3	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	18	-167.4	62.6	-1.4	0	0	0	115.5	R559 K564	R559-N562 WeakPolarHBondContact CB-OD1 3.41Å; R559-N562 WeakPolarHBondContact CD-OD1 3.37Å; N562-K564 PolarHBondContact O-N 3.37Å; N562-K564 WeakPolarHBondContact OD1-CB 3.32Å; N562-K564 PolarHBondContact OD1-N 2.93Å
563	R	80.7	Confident	86.5	Confident	118 Å²	118	57.5 Å²	57.5	45%	0.445	28%	0.281	S	S	.	.	S	Bend	trans	54.9	11.1	-177.7	-64.3	-174	-179.4	169.2	1.2	114.6	D398 I399 E400 E401	D398-R563 CarbonylContact C-O 3.57Å; D398-R563 WeakPolarHBondContact CA-O 3.35Å; D398-R563 HydrophobicContact CB-CB 4.42Å; I399-R563 PolarHBondContact N-O 2.79Å; I399-R563 WeakPolarHBondContact O-CB 3.43Å; E400-R563 IonicContact OE1-NH1 3.99Å; E400-R563 IonicContact OE2-CZ 3.03Å; E400-R563 VanDerWaalsContact OE2-CZ 3.25Å; E400-R563 IonicContact OE2-NE 3.21Å; E400-R563 IonicContact OE2-NH1 3.2Å; E400-R563 PolarHBondContact OE2-NH1 3.48Å; E401-R563 IonicContact OE1-NH2 3.02Å
564	K	87.6	Confident	86.2	Confident	85 Å²	85	55.1 Å²	55.1	37%	0.37	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-91.4	156.3	178.7	-73.3	-172.4	177.4	-156.7	0	111.6	D398 R559 N562	D398-K564 VanDerWaalsContact OD1-CE 3.22Å; D398-K564 WeakPolarHBondContact OD1-CE 3.37Å; D398-K564 WeakPolarHBondContact OD1-CG 3.33Å; R559-K564 VanDerWaalsContact CB-O 3.22Å; R559-K564 WeakPolarHBondContact CB-O 3.35Å; R559-K564 WeakPolarHBondContact CG-O 3.3Å; R559-K564 PolarHBondContact N-O 3.3Å; N562-K564 PolarHBondContact O-N 3.37Å; N562-K564 WeakPolarHBondContact OD1-CB 3.32Å; N562-K564 PolarHBondContact OD1-N 2.93Å
565	L	90	Very high	86	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.9	173.7	-61.7	176	0	0	0	110.8	I394 I399 M405 I516 I556 R558	I394-L565 HydrophobicContact CD1-CD1 4.37Å; I394-L565 HydrophobicContact CG2-CB 3.72Å; I394-L565 HydrophobicContact CG2-CD1 3.75Å; I394-L565 HydrophobicContact CG2-CG 4.38Å; I399-L565 HydrophobicContact CB-CD2 4.46Å; I399-L565 HydrophobicContact CG2-CD2 3.85Å; I399-L565 HydrophobicContact CG2-CG 4.47Å; M405-L565 HydrophobicContact CE-CD2 4.18Å; M405-L565 HydrophobicContact SD-CD1 4.08Å; M405-L565 HydrophobicContact SD-CD2 3.65Å; I516-L565 HydrophobicContact CD1-CD1 3.99Å; I556-L565 HydrophobicContact CG2-CB 4.14Å; I556-L565 HydrophobicContact CG2-CD1 4.11Å; I556-L565 HydrophobicContact CG2-CD2 4.12Å; I556-L565 HydrophobicContact CG2-CG 4.35Å; R558-L565 HydrophobicContact CG-CD2 4.15Å
566	K	89.8	Confident	85.6	Confident	36 Å²	36	55.2 Å²	55.2	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.6	172.3	173.1	-174.5	-179.9	171.8	0	108.2	I556 E557 R559 D608 D611	I556-K566 CarbonylContact C-O 3.59Å; I556-K566 WeakPolarHBondContact CA-O 3.01Å; E557-K566 HydrophobicContact CB-CB 4.4Å; E557-K566 PolarHBondContact N-O 3.07Å; E557-K566 PolarHBondContact O-N 3.38Å; R559-K566 HydrophobicContact CG-CB 3.8Å; K566-D608 WeakPolarHBondContact CD-OD2 3.5Å; K566-D608 WeakPolarHBondContact CE-OD2 3.42Å; K566-D608 WeakPolarHBondContact CG-OD2 3.36Å; K566-D608 IonicContact NZ-OD2 3.64Å; K566-D608 PolarHBondContact NZ-OD2 2.91Å; K566-D611 WeakPolarHBondContact CE-OD2 3.48Å; K566-D611 IonicContact NZ-OD1 3.31Å; K566-D611 IonicContact NZ-OD2 2.75Å; K566-D611 PolarHBondContact NZ-OD2 3.12Å
567	I	91.4	Very high	85.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	177	-65.3	166.8	0	0	0	109.7	K391 I394 Y554 L605 V606 T607	K391-I567 HydrophobicContact CB-CD1 4.16Å; K391-I567 HydrophobicContact CG-CD1 3.88Å; I394-I567 HydrophobicContact CB-CD1 4.06Å; I394-I567 HydrophobicContact CG2-CD1 3.73Å; I394-I567 HydrophobicContact CG2-CG1 4.19Å; Y554-I567 HydrophobicContact CD1-CG2 3.35Å; Y554-I567 HydrophobicContact CE1-CG2 3.96Å; Y554-I567 HydrophobicContact CG-CG2 4.12Å; I567-L605 WeakPolarHBondContact CG2-O 3.35Å; I567-V606 VanDerWaalsContact O-CA 3.3Å; I567-V606 WeakPolarHBondContact O-CA 3.41Å; I567-T607 PolarHBondContact N-OG1 3.48Å; I567-T607 VanDerWaalsContact N-OG1 3.08Å; I567-T607 PolarHBondContact O-N 2.78Å
568	N	91.5	Very high	85.2	Confident	25 Å²	25	56.7 Å²	56.7	13%	0.134	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	162.9	170.7	-80.1	-16.1	0	0	0	110.7	M555 F570 D611	M555-N568 HydrophobicContact CB-CB 4.18Å; M555-N568 PolarHBondContact N-O 3.37Å; M555-N568 PolarHBondContact O-N 2.99Å; N568-F570 PolarHBondContact O-N 2.76Å; N568-D611 WeakPolarHBondContact OD1-CB 3.4Å
569	V	91.2	Very high	85.3	Confident	17 Å²	17	56.4 Å²	56.4	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114	177.4	178.5	0	0	0	0	110.2	V606 E615	V569-V606 HydrophobicContact CG2-CG2 3.72Å; V569-E615 HydrophobicContact CG2-CG 4.06Å
570	F	90.4	Very high	85.7	Confident	54 Å²	54	54.3 Å²	54.3	24%	0.237	27%	0.268	C	S	.	.			trans	-79.9	140.5	173.6	-178.3	-118.2	0	0	0	111.6	A550 D553 Y554 M555 N568 K572	A550-F570 HydrophobicContact CB-CD1 3.92Å; A550-F570 HydrophobicContact CB-CD2 4.03Å; A550-F570 HydrophobicContact CB-CE1 3.73Å; A550-F570 HydrophobicContact CB-CE2 3.85Å; A550-F570 HydrophobicContact CB-CG 4.06Å; A550-F570 HydrophobicContact CB-CZ 3.69Å; D553-F570 PolarHBondContact O-N 3.01Å; Y554-F570 WeakPolarHBondContact O-CB 3.44Å; M555-F570 HydrophobicContact CB-CB 4.14Å; M555-F570 HydrophobicContact CE-CD2 3.55Å; M555-F570 HydrophobicContact CE-CE2 3.77Å; N568-F570 PolarHBondContact O-N 2.76Å; F570-K572 HydrophobicContact CD1-CG 4.42Å; F570-K572 HydrophobicContact CE1-CG 3.7Å; F570-K572 HydrophobicContact CZ-CG 4.32Å
571	R	88.7	Confident	86.6	Confident	34 Å²	34	46.8 Å²	46.8	13%	0.128	23%	0.229	C	C	.	.			trans	-134.8	122	171.7	-67	174.8	-175.9	83.5	-16.7	108.3	H575 E615	R571-H575 HydrophobicContact CB-CB 4.25Å; R571-E615 IonicContact CZ-OE1 2.73Å; R571-E615 IonicContact CZ-OE2 4Å; R571-E615 IonicContact NH1-OE1 3.9Å; R571-E615 PolarHBondContact NH1-OE1 3.07Å; R571-E615 IonicContact NH1-OE2 3.47Å; R571-E615 PolarHBondContact NH1-OE2 2.91Å; R571-E615 IonicContact NH2-OE1 3.36Å; R571-E615 PolarHBondContact NH2-OE1 3.48Å; R571-E615 IonicContact NH2-OE2 3.31Å; R571-E615 PolarHBondContact NH2-OE2 3.48Å
572	K	84	Confident	87.7	Confident	90 Å²	90	41.2 Å²	41.2	39%	0.391	20%	0.198	S	C	.	.			trans	-58.1	151.1	175.3	-60.7	-173.7	-178	-165.5	0	110.5	K265 F570 T574 H575	K265-K572 HydrophobicContact CD-CD 4.27Å; F570-K572 HydrophobicContact CD1-CG 4.42Å; F570-K572 HydrophobicContact CE1-CG 3.7Å; F570-K572 HydrophobicContact CZ-CG 4.32Å; K572-T574 PolarHBondContact O-N 3.01Å; K572-T574 VanDerWaalsContact O-N 3.12Å; K572-H575 WeakPolarHBondContact O-CB 3.26Å; K572-H575 PolarHBondContact O-N 3.3Å
573	S	82.6	Confident	88.6	Confident	100 Å²	100	41 Å²	41	70%	0.699	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.3	177.7	55	0	0	0	0	113.1	K168 H575	K168-S573 PolarHBondContact NZ-O 3.23Å; S573-H575 VanDerWaalsContact C-N 3.29Å; S573-H575 PolarHBondContact O-N 3.46Å
574	T	81.2	Confident	89.2	Confident	24 Å²	24	35.4 Å²	35.4	15%	0.147	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.3	177.4	54.1	0	0	0	0	114.8	H345 K572 S576	H345-T574 HydrophobicContact CB-CG2 3.84Å; K572-T574 PolarHBondContact O-N 3.01Å; K572-T574 VanDerWaalsContact O-N 3.12Å; T574-S576 PolarHBondContact O-N 3.13Å; T574-S576 VanDerWaalsContact O-N 3.14Å
575	H	85.7	Confident	89.4	Confident	43 Å²	43	31.8 Å²	31.8	20%	0.199	16%	0.161	C	C	.	.			trans	-64.2	116.2	176.8	-177.5	-97.8	0	0	0	110.3	R571 K572 S573 E577	R571-H575 HydrophobicContact CB-CB 4.25Å; K572-H575 WeakPolarHBondContact O-CB 3.26Å; K572-H575 PolarHBondContact O-N 3.3Å; S573-H575 VanDerWaalsContact C-N 3.29Å; S573-H575 PolarHBondContact O-N 3.46Å; H575-E577 WeakPolarHBondContact ND1-CG 3.07Å; H575-E577 PolarHBondContact ND1-N 3.22Å; H575-E577 PolarHBondContact O-N 2.84Å
576	S	84.8	Confident	89.6	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.021	16%	0.164	C	C	.	.			trans	-74.4	-10.4	-174	65.4	0	0	0	0	115.1	K168 G266 T574 R578	K168-S576 VanDerWaalsContact O-CB 3.32Å; K168-S576 WeakPolarHBondContact O-CB 3.47Å; G266-S576 VanDerWaalsContact O-CB 3.29Å; G266-S576 WeakPolarHBondContact O-CB 3.48Å; G266-S576 PolarHBondContact O-N 3.12Å; G266-S576 PolarHBondContact O-OG 3.07Å; T574-S576 PolarHBondContact O-N 3.13Å; T574-S576 VanDerWaalsContact O-N 3.14Å; S576-R578 PolarHBondContact O-N 3.1Å; S576-R578 VanDerWaalsContact OG-CB 3.31Å; S576-R578 WeakPolarHBondContact OG-CB 3.41Å; S576-R578 PolarHBondContact OG-N 3.14Å
577	E	87.7	Confident	89.7	Confident	47 Å²	47	30.9 Å²	30.9	22%	0.22	16%	0.158	C	C	.	.			trans	55.8	16.4	-169.5	-67.9	-160.2	178.8	0	0	113.7	H575 R618 T622 N626	H575-E577 WeakPolarHBondContact ND1-CG 3.07Å; H575-E577 PolarHBondContact ND1-N 3.22Å; H575-E577 PolarHBondContact O-N 2.84Å; E577-R618 IonicContact OE1-CZ 2.69Å; E577-R618 IonicContact OE1-NE 3.49Å; E577-R618 PolarHBondContact OE1-NE 3.32Å; E577-R618 IonicContact OE1-NH2 3.9Å; E577-R618 PolarHBondContact OE1-NH2 2.9Å; E577-T622 HydrophobicContact CB-CG2 3.69Å; E577-T622 HydrophobicContact CG-CG2 4.31Å; E577-T622 WeakPolarHBondContact O-CG2 3.15Å; E577-T622 PolarHBondContact OE2-OG1 2.83Å; E577-N626 PolarHBondContact O-ND2 3.17Å
578	R	89.1	Confident	89.8	Confident	12 Å²	12	35.3 Å²	35.3	5%	0.045	18%	0.181	C	C	.	.			trans	-92.4	113.8	179.1	-162.6	70	179.8	137.2	1.9	111.1	V169 K187 N267 S576 D581 N626	V169-R578 HydrophobicContact CG1-CB 4.49Å; V169-R578 HydrophobicContact CG1-CG 4.21Å; V169-R578 HydrophobicContact CG2-CB 4.24Å; K187-R578 PolarHBondContact O-NE 3.37Å; K187-R578 PolarHBondContact O-NH2 3.47Å; N267-R578 PolarHBondContact ND2-O 2.78Å; S576-R578 PolarHBondContact O-N 3.1Å; S576-R578 VanDerWaalsContact OG-CB 3.31Å; S576-R578 WeakPolarHBondContact OG-CB 3.41Å; S576-R578 PolarHBondContact OG-N 3.14Å; R578-D581 IonicContact CZ-OD2 3.11Å; R578-D581 IonicContact NH1-OD2 3.42Å; R578-D581 IonicContact NH2-OD2 3.9Å; R578-D581 PolarHBondContact NH2-OD2 2.84Å; R578-N626 WeakPolarHBondContact CD-OD1 3.2Å; R578-N626 PolarHBondContact NH1-OD1 3.19Å
579	Y	92.3	Very high	89.8	Confident	39 Å²	39	37.1 Å²	37.1	15%	0.153	20%	0.195	C	C	.	.			trans	-105.4	-176.3	172	-63.8	-72.8	0	0	0	110.7	D581 L598 T622 N626	Y579-D581 PolarHBondContact O-N 3.5Å; Y579-L598 HydrophobicContact CD1-CD1 4.06Å; Y579-L598 HydrophobicContact CD1-CD2 4.49Å; Y579-L598 HydrophobicContact CD2-CD1 4.08Å; Y579-L598 HydrophobicContact CE1-CD1 3.92Å; Y579-L598 HydrophobicContact CE1-CD2 3.66Å; Y579-L598 HydrophobicContact CE1-CG 4.33Å; Y579-L598 HydrophobicContact CE2-CD1 3.9Å; Y579-L598 HydrophobicContact CE2-CD2 4.49Å; Y579-L598 HydrophobicContact CG-CD1 4.15Å; Y579-T622 HydrophobicContact CD2-CG2 3.83Å; Y579-T622 HydrophobicContact CE2-CG2 3.6Å; Y579-N626 PolarHBondContact N-OD1 3.41Å; Y579-N626 PolarHBondContact O-OD1 2.97Å
580	L	93	Very high	89.9	Confident	19 Å²	19	38.9 Å²	38.9	10%	0.099	21%	0.206	C	C	.	.			trans	-59.1	112.6	174.6	174	62.8	0	0	0	109.7	F582 H586 T590 K591 V594 Y628	L580-F582 PolarHBondContact O-N 2.96Å; L580-H586 VanDerWaalsContact CD1-CE1 3.43Å; L580-H586 WeakPolarHBondContact CD1-CE1 3.46Å; L580-H586 HydrophobicContact CD2-CB 4.03Å; L580-T590 HydrophobicContact CD2-CG2 4.02Å; L580-K591 HydrophobicContact CD2-CG 4.19Å; L580-V594 HydrophobicContact CB-CG2 4.23Å; L580-V594 HydrophobicContact CD2-CG2 4.38Å; L580-Y628 WeakPolarHBondContact O-CE2 3.33Å; L580-Y628 PolarHBondContact O-OH 2.99Å
581	D	92.9	Very high	90.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.198	C	C	.	.			trans	-54.9	134.7	176.7	-164.7	-49.7	0	0	0	111.5	F192 R578 Y579 D583 S584 N627	F192-D581 HydrophobicContact CD2-CB 3.76Å; F192-D581 HydrophobicContact CE2-CB 3.96Å; R578-D581 IonicContact CZ-OD2 3.11Å; R578-D581 IonicContact NH1-OD2 3.42Å; R578-D581 IonicContact NH2-OD2 3.9Å; R578-D581 PolarHBondContact NH2-OD2 2.84Å; Y579-D581 PolarHBondContact O-N 3.5Å; D581-D583 PolarHBondContact O-N 2.99Å; D581-D583 WeakPolarHBondContact OD1-CB 3.4Å; D581-D583 PolarHBondContact OD1-N 3.16Å; D581-S584 WeakPolarHBondContact O-CB 3.48Å; D581-S584 PolarHBondContact O-N 3.02Å; D581-S584 VanDerWaalsContact O-N 3.07Å; D581-N627 VanDerWaalsContact CG-ND2 3.27Å; D581-N627 PolarHBondContact OD1-ND2 3Å; D581-N627 PolarHBondContact OD2-ND2 3.32Å
582	F	93.7	Very high	90.4	Very high	39 Å²	39	37.3 Å²	37.3	17%	0.171	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.7	178.2	-169.3	-96	0	0	0	113.4	L580 S584 K591 N626 N627 Y628 P629 F632	L580-F582 PolarHBondContact O-N 2.96Å; F582-S584 PolarHBondContact O-N 3.11Å; F582-K591 HydrophobicContact CD2-CD 3.83Å; F582-K591 HydrophobicContact CE2-CD 3.97Å; F582-K591 HydrophobicContact CG-CD 4.47Å; F582-K591 VanDerWaalsContact O-CE 3.26Å; F582-K591 WeakPolarHBondContact O-CE 3.36Å; F582-K591 PolarHBondContact O-NZ 2.96Å; F582-N626 PolarHBondContact N-O 3.08Å; F582-N627 VanDerWaalsContact CB-C 3.49Å; F582-N627 HydrophobicContact CB-CB 4.08Å; F582-N627 WeakPolarHBondContact CB-O 3.43Å; F582-Y628 HydrophobicContact CB-CD2 4.04Å; F582-Y628 HydrophobicContact CB-CE2 4.26Å; F582-Y628 HydrophobicContact CB-CG 4.26Å; F582-Y628 AromaticContact CD2-CD1 3.74Å; F582-Y628 HydrophobicContact CD2-CD1 3.74Å; F582-Y628 AromaticContact CD2-CE1 3.99Å; F582-Y628 HydrophobicContact CD2-CE1 3.99Å; F582-Y628 HydrophobicContact CD2-CG 4.02Å; F582-Y628 HydrophobicContact CE2-CD1 4.43Å; F582-P629 HydrophobicContact CD1-CG 4.05Å; F582-P629 HydrophobicContact CE1-CG 3.64Å; F582-P629 HydrophobicContact CE2-CG 4.32Å; F582-P629 HydrophobicContact CZ-CG 3.79Å; F582-F632 HydrophobicContact CE2-CD1 4.14Å; F582-F632 HydrophobicContact CE2-CD2 4.33Å; F582-F632 HydrophobicContact CE2-CE1 4.15Å; F582-F632 HydrophobicContact CE2-CE2 4.35Å; F582-F632 HydrophobicContact CE2-CG 4.21Å; F582-F632 HydrophobicContact CE2-CZ 4.25Å
583	D	92.5	Very high	90.8	Very high	69 Å²	69	36.2 Å²	36.2	37%	0.369	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.7	177.2	-66.8	-27.7	0	0	0	112.7	F192 N240 D581	F192-D583 HydrophobicContact CE2-CB 4.29Å; F192-D583 HydrophobicContact CZ-CB 4.49Å; N240-D583 PolarHBondContact ND2-O 3.41Å; D581-D583 PolarHBondContact O-N 2.99Å; D581-D583 WeakPolarHBondContact OD1-CB 3.4Å; D581-D583 PolarHBondContact OD1-N 3.16Å
584	S	93.5	Very high	91.4	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.18	C	C	.	.	S	Bend	trans	-66.2	142.2	176.7	-170.5	0	0	0	0	111.1	N193 D581 F582 H586 K591	N193-S584 PolarHBondContact N-OG 3.27Å; D581-S584 WeakPolarHBondContact O-CB 3.48Å; D581-S584 PolarHBondContact O-N 3.02Å; D581-S584 VanDerWaalsContact O-N 3.07Å; F582-S584 PolarHBondContact O-N 3.11Å; S584-H586 PolarHBondContact O-N 3.32Å; S584-H586 PolarHBondContact OG-CE1 3.28Å; S584-H586 PolarHBondContact OG-ND1 2.94Å; S584-K591 VanDerWaalsContact O-CE 3.26Å; S584-K591 WeakPolarHBondContact O-CE 3.37Å; S584-K591 PolarHBondContact O-NZ 3.07Å
585	A	92.2	Very high	92.1	Very high	8 Å²	8	31.8 Å²	31.8	7%	0.066	17%	0.173	C	C	.	.	S	Bend	trans	-74.7	61.5	-179	0	0	0	0	0	111.7	N193 N195 Y660	N193-A585 HydrophobicContact CB-CB 4.2Å; N193-A585 PolarHBondContact ND2-O 3.28Å; N193-A585 VanDerWaalsContact O-CB 3.22Å; N193-A585 WeakPolarHBondContact O-CB 3.48Å; N193-A585 PolarHBondContact O-N 3.34Å; N195-A585 WeakPolarHBondContact OD1-CB 3.3Å; A585-Y660 WeakPolarHBondContact O-CD1 2.91Å
586	H	93.7	Very high	92.4	Very high	19 Å²	19	33.2 Å²	33.2	9%	0.088	18%	0.178	C	C	.	.			trans	-115.4	151.4	175	-70.9	66.2	0	0	0	109.8	N191 N193 L580 S584 K591 T683	N191-H586 PolarHBondContact O-CE1 3Å; N191-H586 VanDerWaalsContact O-CE1 3.31Å; N193-H586 WeakPolarHBondContact CB-CE1 3.43Å; L580-H586 VanDerWaalsContact CD1-CE1 3.43Å; L580-H586 WeakPolarHBondContact CD1-CE1 3.46Å; L580-H586 HydrophobicContact CD2-CB 4.03Å; S584-H586 PolarHBondContact O-N 3.32Å; S584-H586 PolarHBondContact OG-CE1 3.28Å; S584-H586 PolarHBondContact OG-ND1 2.94Å; H586-K591 WeakPolarHBondContact O-CE 3.35Å; H586-T683 VanDerWaalsContact CD2-CG2 3.46Å; H586-T683 WeakPolarHBondContact CD2-CG2 3.29Å; H586-T683 WeakPolarHBondContact NE2-CG2 3.26Å
587	A	92.5	Very high	92.7	Very high	3 Å²	3	38 Å²	38	3%	0.025	20%	0.203	C	C	.	.			trans	-55.1	143.3	171.9	0	0	0	0	0	111.2	C589 T590 K591 Y660 F681	A587-C589 VanDerWaalsContact CB-SG 3.55Å; A587-C589 PolarHBondContact O-N 3.44Å; A587-T590 WeakPolarHBondContact O-CB 3.47Å; A587-T590 PolarHBondContact O-N 2.99Å; A587-K591 PolarHBondContact O-N 2.95Å; A587-Y660 VanDerWaalsContact CA-CE2 3.43Å; A587-Y660 VanDerWaalsContact CA-CZ 3.4Å; A587-Y660 HydrophobicContact CB-CD2 3.74Å; A587-Y660 HydrophobicContact CB-CE2 3.48Å; A587-Y660 VanDerWaalsContact CB-CE2 3.48Å; A587-Y660 HydrophobicContact CB-CG 4.47Å; A587-F681 HydrophobicContact CB-CD2 3.62Å; A587-F681 HydrophobicContact CB-CE2 4.09Å
588	L	92.4	Very high	93	Very high	92 Å²	92	36.3 Å²	36.3	48%	0.482	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-35	178	-73.5	175.5	0	0	0	111.9	T590 K591 V592 F632	L588-T590 VanDerWaalsContact C-N 3.29Å; L588-T590 PolarHBondContact O-N 3.03Å; L588-K591 HydrophobicContact CD2-CD 4.42Å; L588-K591 PolarHBondContact O-N 3.37Å; L588-K591 VanDerWaalsContact O-N 3.16Å; L588-V592 WeakPolarHBondContact O-CG2 3.49Å; L588-V592 PolarHBondContact O-N 2.95Å; L588-F632 HydrophobicContact CD2-CE2 4.48Å
589	C	91	Very high	93.1	Very high	63 Å²	63	35.9 Å²	35.9	43%	0.426	20%	0.195	S	C	.	.	H	α-helix	trans	-58.9	-39.1	176.3	58.8	0	0	0	0	112.5	A587 V592 T593	A587-C589 VanDerWaalsContact CB-SG 3.55Å; A587-C589 PolarHBondContact O-N 3.44Å; C589-V592 PolarHBondContact O-N 3.17Å; C589-T593 PolarHBondContact O-N 2.95Å; C589-T593 PolarHBondContact O-OG1 2.92Å
590	T	93.7	Very high	92.9	Very high	54 Å²	54	36.3 Å²	36.3	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-65.1	-42	176.8	-51.9	0	0	0	0	111.1	L580 A587 L588 T593 V594	L580-T590 HydrophobicContact CD2-CG2 4.02Å; A587-T590 WeakPolarHBondContact O-CB 3.47Å; A587-T590 PolarHBondContact O-N 2.99Å; L588-T590 VanDerWaalsContact C-N 3.29Å; L588-T590 PolarHBondContact O-N 3.03Å; T590-T593 PolarHBondContact O-N 3.09Å; T590-V594 WeakPolarHBondContact O-CG2 3.5Å; T590-V594 PolarHBondContact O-N 3.42Å
591	K	95	Very high	92.7	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.078	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-41.6	175.9	-63.3	176.5	-173.9	172	0	111.3	L580 F582 S584 H586 A587 L588 V594 V595 Y628 F632	L580-K591 HydrophobicContact CD2-CG 4.19Å; F582-K591 HydrophobicContact CD2-CD 3.83Å; F582-K591 HydrophobicContact CE2-CD 3.97Å; F582-K591 HydrophobicContact CG-CD 4.47Å; F582-K591 VanDerWaalsContact O-CE 3.26Å; F582-K591 WeakPolarHBondContact O-CE 3.36Å; F582-K591 PolarHBondContact O-NZ 2.96Å; S584-K591 VanDerWaalsContact O-CE 3.26Å; S584-K591 WeakPolarHBondContact O-CE 3.37Å; S584-K591 PolarHBondContact O-NZ 3.07Å; H586-K591 WeakPolarHBondContact O-CE 3.35Å; A587-K591 PolarHBondContact O-N 2.95Å; L588-K591 HydrophobicContact CD2-CD 4.42Å; L588-K591 PolarHBondContact O-N 3.37Å; L588-K591 VanDerWaalsContact O-N 3.16Å; K591-V594 PolarHBondContact O-N 3.09Å; K591-V595 WeakPolarHBondContact O-CG2 3.49Å; K591-V595 PolarHBondContact O-N 3.26Å; K591-Y628 HydrophobicContact CB-CE1 4Å; K591-F632 HydrophobicContact CB-CZ 4.33Å
592	V	94.6	Very high	92.4	Very high	37 Å²	37	38 Å²	38	22%	0.224	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-46.4	172.8	173.4	0	0	0	0	110.6	L588 C589 V594 V595 K596 F632 I636	L588-V592 WeakPolarHBondContact O-CG2 3.49Å; L588-V592 PolarHBondContact O-N 2.95Å; C589-V592 PolarHBondContact O-N 3.17Å; V592-V594 VanDerWaalsContact C-N 3.34Å; V592-V594 PolarHBondContact O-N 3.03Å; V592-V595 PolarHBondContact O-N 3.46Å; V592-K596 HydrophobicContact CG1-CD 3.89Å; V592-K596 HydrophobicContact CG1-CG 4.05Å; V592-K596 WeakPolarHBondContact O-CG 3.44Å; V592-K596 PolarHBondContact O-N 3.49Å; V592-F632 HydrophobicContact CG2-CE2 4.04Å; V592-F632 HydrophobicContact CG2-CZ 3.57Å; V592-I636 HydrophobicContact CB-CD1 4.33Å; V592-I636 HydrophobicContact CG1-CD1 4.2Å; V592-I636 HydrophobicContact CG1-CG1 4.44Å; V592-I636 HydrophobicContact CG2-CD1 4.06Å
593	T	93.1	Very high	92.1	Very high	67 Å²	67	39.6 Å²	39.6	41%	0.411	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-40	179.8	-61	0	0	0	0	112.4	C589 T590 V595 K596 N597	C589-T593 PolarHBondContact O-N 2.95Å; C589-T593 PolarHBondContact O-OG1 2.92Å; T590-T593 PolarHBondContact O-N 3.09Å; T593-V595 VanDerWaalsContact C-N 3.34Å; T593-V595 PolarHBondContact O-N 3.27Å; T593-K596 PolarHBondContact O-N 3.29Å; T593-N597 WeakPolarHBondContact O-CB 3.42Å; T593-N597 PolarHBondContact O-N 3.49Å
594	V	95	Very high	91.7	Very high	32 Å²	32	42.2 Å²	42.2	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-48.4	174.6	170.7	0	0	0	0	110.7	L580 T590 K591 V592 N597 L598	L580-V594 HydrophobicContact CB-CG2 4.23Å; L580-V594 HydrophobicContact CD2-CG2 4.38Å; T590-V594 WeakPolarHBondContact O-CG2 3.5Å; T590-V594 PolarHBondContact O-N 3.42Å; K591-V594 PolarHBondContact O-N 3.09Å; V592-V594 VanDerWaalsContact C-N 3.34Å; V592-V594 PolarHBondContact O-N 3.03Å; V594-N597 PolarHBondContact O-N 3.3Å; V594-L598 HydrophobicContact CG1-CD1 4.43Å; V594-L598 WeakPolarHBondContact O-CG 3.27Å; V594-L598 PolarHBondContact O-N 2.96Å
595	V	95.1	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-47.7	178.7	179.2	0	0	0	0	111.1	K591 V592 T593 N597 L598 I599 L623 Y628 F632 L633 I636	K591-V595 WeakPolarHBondContact O-CG2 3.49Å; K591-V595 PolarHBondContact O-N 3.26Å; V592-V595 PolarHBondContact O-N 3.46Å; T593-V595 VanDerWaalsContact C-N 3.34Å; T593-V595 PolarHBondContact O-N 3.27Å; V595-N597 VanDerWaalsContact C-N 3.34Å; V595-N597 PolarHBondContact O-N 2.99Å; V595-L598 PolarHBondContact O-N 2.94Å; V595-I599 HydrophobicContact CG1-CD1 3.64Å; V595-I599 HydrophobicContact CG1-CG1 4.36Å; V595-I599 WeakPolarHBondContact O-CG1 3.38Å; V595-I599 PolarHBondContact O-N 3.29Å; V595-L623 HydrophobicContact CB-CD1 4.3Å; V595-L623 HydrophobicContact CG1-CD1 3.94Å; V595-L623 HydrophobicContact CG2-CD1 3.95Å; V595-L623 HydrophobicContact CG2-CD2 4.12Å; V595-Y628 HydrophobicContact CG2-CD1 3.68Å; V595-Y628 HydrophobicContact CG2-CE1 3.55Å; V595-F632 HydrophobicContact CG2-CE1 4.32Å; V595-L633 HydrophobicContact CG1-CD2 3.91Å; V595-L633 HydrophobicContact CG2-CD2 3.81Å; V595-I636 HydrophobicContact CB-CD1 3.94Å; V595-I636 HydrophobicContact CB-CG2 4.47Å; V595-I636 HydrophobicContact CG1-CB 4.26Å; V595-I636 HydrophobicContact CG1-CD1 3.95Å; V595-I636 HydrophobicContact CG1-CG2 3.87Å; V595-I636 HydrophobicContact CG2-CD1 4.16Å
596	K	92.8	Very high	91.2	Very high	73 Å²	73	42.4 Å²	42.4	32%	0.317	22%	0.222	S	C	.	.	H	α-helix	trans	-58.1	-45.2	178.4	-75.4	-175.3	174.6	-121.7	0	111.8	V592 T593 L598 I599 N600 I636 E640	V592-K596 HydrophobicContact CG1-CD 3.89Å; V592-K596 HydrophobicContact CG1-CG 4.05Å; V592-K596 WeakPolarHBondContact O-CG 3.44Å; V592-K596 PolarHBondContact O-N 3.49Å; T593-K596 PolarHBondContact O-N 3.29Å; K596-L598 VanDerWaalsContact C-N 3.33Å; K596-L598 PolarHBondContact O-N 3.35Å; K596-I599 PolarHBondContact O-N 3.31Å; K596-N600 WeakPolarHBondContact O-CB 3.44Å; K596-N600 PolarHBondContact O-N 3.31Å; K596-N600 PolarHBondContact O-ND2 2.92Å; K596-I636 HydrophobicContact CG-CG2 4.06Å; K596-E640 WeakPolarHBondContact CE-OE1 3.3Å; K596-E640 HydrophobicContact CG-CG 4.47Å; K596-E640 IonicContact NZ-OE1 2.7Å; K596-E640 PolarHBondContact NZ-OE1 3.21Å
597	N	91.9	Very high	90.9	Very high	102 Å²	102	43.2 Å²	43.2	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-39.7	-179.1	-73.1	-7.8	0	0	0	111.7	T593 V594 V595 R601	T593-N597 WeakPolarHBondContact O-CB 3.42Å; T593-N597 PolarHBondContact O-N 3.49Å; V594-N597 PolarHBondContact O-N 3.3Å; V595-N597 VanDerWaalsContact C-N 3.34Å; V595-N597 PolarHBondContact O-N 2.99Å; N597-R601 WeakPolarHBondContact O-CB 3.39Å; N597-R601 PolarHBondContact O-N 3.22Å
598	L	92.3	Very high	90.7	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-45	176.6	-67	172	0	0	0	112.1	Y579 V594 V595 K596 R601 S602 I619 L623	Y579-L598 HydrophobicContact CD1-CD1 4.06Å; Y579-L598 HydrophobicContact CD1-CD2 4.49Å; Y579-L598 HydrophobicContact CD2-CD1 4.08Å; Y579-L598 HydrophobicContact CE1-CD1 3.92Å; Y579-L598 HydrophobicContact CE1-CD2 3.66Å; Y579-L598 HydrophobicContact CE1-CG 4.33Å; Y579-L598 HydrophobicContact CE2-CD1 3.9Å; Y579-L598 HydrophobicContact CE2-CD2 4.49Å; Y579-L598 HydrophobicContact CG-CD1 4.15Å; V594-L598 HydrophobicContact CG1-CD1 4.43Å; V594-L598 WeakPolarHBondContact O-CG 3.27Å; V594-L598 PolarHBondContact O-N 2.96Å; V595-L598 PolarHBondContact O-N 2.94Å; K596-L598 VanDerWaalsContact C-N 3.33Å; K596-L598 PolarHBondContact O-N 3.35Å; L598-R601 WeakPolarHBondContact O-CB 3.4Å; L598-R601 PolarHBondContact O-N 3.5Å; L598-S602 PolarHBondContact O-N 3.3Å; L598-I619 HydrophobicContact CB-CD1 4.26Å; L598-I619 HydrophobicContact CB-CG2 3.72Å; L598-I619 HydrophobicContact CD1-CG2 4.23Å; L598-I619 WeakPolarHBondContact O-CD1 3.46Å; L598-L623 HydrophobicContact CD1-CD1 4.38Å; L598-L623 HydrophobicContact CD1-CD2 3.99Å; L598-L623 HydrophobicContact CD1-CG 4.26Å
599	I	91.1	Very high	90.5	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-46.7	177.6	-66	171.4	0	0	0	110.9	V595 K596 R601 S602 L603 L616 I636 V637	V595-I599 HydrophobicContact CG1-CD1 3.64Å; V595-I599 HydrophobicContact CG1-CG1 4.36Å; V595-I599 WeakPolarHBondContact O-CG1 3.38Å; V595-I599 PolarHBondContact O-N 3.29Å; K596-I599 PolarHBondContact O-N 3.31Å; I599-R601 PolarHBondContact O-N 3.46Å; I599-S602 PolarHBondContact O-N 3.42Å; I599-S602 VanDerWaalsContact O-N 3.12Å; I599-S602 PolarHBondContact O-OG 2.9Å; I599-L603 HydrophobicContact CG2-CD1 3.73Å; I599-L603 HydrophobicContact CG2-CG 4.2Å; I599-L603 WeakPolarHBondContact O-CG 3.42Å; I599-L603 PolarHBondContact O-N 2.94Å; I599-L616 HydrophobicContact CG1-CD1 3.92Å; I599-L616 HydrophobicContact CG2-CD1 4.27Å; I599-I636 HydrophobicContact CD1-CG2 4.31Å; I599-V637 HydrophobicContact CD1-CG2 3.75Å
600	N	88.7	Confident	90.4	Very high	48 Å²	48	54.3 Å²	54.3	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-35.4	179.1	-72.7	-20.5	0	0	0	111.1	K596 K604 E640	K596-N600 WeakPolarHBondContact O-CB 3.44Å; K596-N600 PolarHBondContact O-N 3.31Å; K596-N600 PolarHBondContact O-ND2 2.92Å; N600-K604 WeakPolarHBondContact O-CB 3.33Å; N600-K604 VanDerWaalsContact O-CG 3.25Å; N600-K604 WeakPolarHBondContact O-CG 3.45Å; N600-K604 PolarHBondContact O-N 3.13Å; N600-E640 PolarHBondContact ND2-OE2 3.17Å; N600-E640 PolarHBondContact OD1-OE2 3.2Å
601	R	89.1	Confident	90.3	Very high	56 Å²	56	53.5 Å²	53.5	21%	0.211	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-47.6	171.6	-172	-179.4	66.9	160.7	5.2	111.5	N597 L598 I599 L603 K604 L605	N597-R601 WeakPolarHBondContact O-CB 3.39Å; N597-R601 PolarHBondContact O-N 3.22Å; L598-R601 WeakPolarHBondContact O-CB 3.4Å; L598-R601 PolarHBondContact O-N 3.5Å; I599-R601 PolarHBondContact O-N 3.46Å; R601-L603 PolarHBondContact O-N 3.03Å; R601-K604 PolarHBondContact O-N 3.39Å; R601-L605 HydrophobicContact CG-CD1 3.33Å; R601-L605 HydrophobicContact CG-CG 3.82Å; R601-L605 WeakPolarHBondContact O-CB 3.33Å; R601-L605 VanDerWaalsContact O-CG 3.27Å; R601-L605 WeakPolarHBondContact O-CG 3.5Å; R601-L605 PolarHBondContact O-N 3.19Å
602	S	87.4	Confident	90.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-40.5	179.3	63	0	0	0	0	112.7	L598 I599 V606 E615	L598-S602 PolarHBondContact O-N 3.3Å; I599-S602 PolarHBondContact O-N 3.42Å; I599-S602 VanDerWaalsContact O-N 3.12Å; I599-S602 PolarHBondContact O-OG 2.9Å; S602-V606 WeakPolarHBondContact O-CB 3.23Å; S602-V606 WeakPolarHBondContact O-CG2 3.42Å; S602-V606 PolarHBondContact O-N 2.93Å; S602-E615 VanDerWaalsContact CB-CG 3.44Å
603	L	86.2	Confident	89.9	Confident	73 Å²	73	56.8 Å²	56.8	38%	0.382	28%	0.276	S	S	.	.	H	α-helix	trans	-73	-34.5	-178.8	-66.8	176.5	0	0	0	113.1	I599 R601 Q612	I599-L603 HydrophobicContact CG2-CD1 3.73Å; I599-L603 HydrophobicContact CG2-CG 4.2Å; I599-L603 WeakPolarHBondContact O-CG 3.42Å; I599-L603 PolarHBondContact O-N 2.94Å; R601-L603 PolarHBondContact O-N 3.03Å; L603-Q612 PolarHBondContact O-NE2 3.4Å
604	K	85.2	Confident	89.9	Confident	125 Å²	125	61 Å²	61	54%	0.543	29%	0.286	S	S	.	.	H	α-helix	trans	-87.9	-38.4	-177.1	-69.9	-178.1	170.7	-171.4	0	113.1	M388 K391 N600 R601	M388-K604 HydrophobicContact SD-CB 4.16Å; M388-K604 HydrophobicContact SD-CD 4.46Å; K391-K604 WeakPolarHBondContact CD-O 3.01Å; K391-K604 WeakPolarHBondContact CE-O 3.36Å; N600-K604 WeakPolarHBondContact O-CB 3.33Å; N600-K604 VanDerWaalsContact O-CG 3.25Å; N600-K604 WeakPolarHBondContact O-CG 3.45Å; N600-K604 PolarHBondContact O-N 3.13Å; R601-K604 PolarHBondContact O-N 3.39Å
605	L	85.5	Confident	89.8	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-82.8	-42.2	-173	-61.9	-167.8	0	0	0	112.6	K391 Y554 I567 R601 T607	K391-L605 WeakPolarHBondContact CD-O 3.15Å; K391-L605 WeakPolarHBondContact CE-O 3.38Å; Y554-L605 HydrophobicContact CD1-CD1 4.36Å; Y554-L605 HydrophobicContact CE1-CB 4.07Å; Y554-L605 HydrophobicContact CE1-CD1 3.62Å; Y554-L605 HydrophobicContact CE1-CD2 3.71Å; Y554-L605 HydrophobicContact CE1-CG 3.97Å; Y554-L605 WeakPolarHBondContact OH-CD2 3Å; I567-L605 WeakPolarHBondContact CG2-O 3.35Å; R601-L605 HydrophobicContact CG-CD1 3.33Å; R601-L605 HydrophobicContact CG-CG 3.82Å; R601-L605 WeakPolarHBondContact O-CB 3.33Å; R601-L605 VanDerWaalsContact O-CG 3.27Å; R601-L605 WeakPolarHBondContact O-CG 3.5Å; R601-L605 PolarHBondContact O-N 3.19Å; L605-T607 PolarHBondContact O-N 2.93Å
606	V	88.9	Confident	89.7	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	28%	0.28	C	S	.	.			trans	-76.1	128.6	-173.8	-177.5	0	0	0	0	109.9	I567 V569 S602 D611 Q612 E615	I567-V606 VanDerWaalsContact O-CA 3.3Å; I567-V606 WeakPolarHBondContact O-CA 3.41Å; V569-V606 HydrophobicContact CG2-CG2 3.72Å; S602-V606 WeakPolarHBondContact O-CB 3.23Å; S602-V606 WeakPolarHBondContact O-CG2 3.42Å; S602-V606 PolarHBondContact O-N 2.93Å; V606-D611 HydrophobicContact CG1-CB 3.47Å; V606-D611 VanDerWaalsContact CG1-CB 3.47Å; V606-Q612 HydrophobicContact CB-CG 3.63Å; V606-Q612 HydrophobicContact CG1-CB 4.48Å; V606-Q612 HydrophobicContact CG1-CG 3.85Å; V606-Q612 PolarHBondContact O-NE2 3.09Å; V606-E615 HydrophobicContact CG2-CB 4.42Å; V606-E615 HydrophobicContact CG2-CG 4.34Å
607	T	87.5	Confident	89.7	Confident	35 Å²	35	61 Å²	61	22%	0.215	29%	0.288	C	S	.	.			trans	-76	-44.6	-175	-46.6	0	0	0	0	111.9	R559 I567 L605	R559-T607 VanDerWaalsContact NH2-CG2 3.27Å; I567-T607 PolarHBondContact N-OG1 3.48Å; I567-T607 VanDerWaalsContact N-OG1 3.08Å; I567-T607 PolarHBondContact O-N 2.78Å; L605-T607 PolarHBondContact O-N 2.93Å
608	D	88.6	Confident	89.7	Confident	44 Å²	44	60.1 Å²	60.1	24%	0.235	28%	0.277	C	S	.	.	S	Bend	trans	-88.6	136.7	-174.5	-72.2	-30.2	0	0	0	112.8	R559 K566 E610 D611 Q612	R559-D608 IonicContact CZ-OD1 3.8Å; R559-D608 IonicContact NE-OD1 2.77Å; R559-D608 IonicContact NH2-OD1 3.82Å; R559-D608 PolarHBondContact NH2-OD1 3.23Å; R559-D608 IonicContact NH2-OD2 2.64Å; K566-D608 WeakPolarHBondContact CD-OD2 3.5Å; K566-D608 WeakPolarHBondContact CE-OD2 3.42Å; K566-D608 WeakPolarHBondContact CG-OD2 3.36Å; K566-D608 IonicContact NZ-OD2 3.64Å; K566-D608 PolarHBondContact NZ-OD2 2.91Å; D608-E610 VanDerWaalsContact C-N 3.28Å; D608-E610 PolarHBondContact O-N 3.33Å; D608-D611 HydrophobicContact CB-CB 4.34Å; D608-D611 WeakPolarHBondContact CB-OD2 3.45Å; D608-D611 PolarHBondContact O-N 3.05Å; D608-Q612 WeakPolarHBondContact O-CB 3.15Å; D608-Q612 VanDerWaalsContact O-CG 3.29Å; D608-Q612 WeakPolarHBondContact O-CG 3.32Å; D608-Q612 PolarHBondContact O-N 2.99Å
609	K	88.3	Confident	89.8	Confident	179 Å²	179	59.7 Å²	59.7	78%	0.778	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-33.5	-178.8	-68.9	-174.9	-179.5	174.6	0	112.8	Q612 Q613	K609-Q612 WeakPolarHBondContact O-CB 3.24Å; K609-Q613 PolarHBondContact O-N 2.97Å; K609-Q613 VanDerWaalsContact O-N 3.1Å
610	E	89.6	Confident	89.9	Confident	169 Å²	169	60.8 Å²	60.8	79%	0.79	28%	0.28	S	S	*	.	H	α-helix	trans	-66.6	-47.6	177.8	-64.3	-177.4	-178.8	0	0	110.9	D608 Q613 Y614	D608-E610 VanDerWaalsContact C-N 3.28Å; D608-E610 PolarHBondContact O-N 3.33Å; E610-Q613 PolarHBondContact O-N 3.31Å; E610-Q613 VanDerWaalsContact O-N 3.17Å; E610-Y614 PolarHBondContact O-N 3.36Å
611	D	90.1	Very high	90.1	Very high	37 Å²	37	61.2 Å²	61.2	20%	0.198	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-35.1	176	-65.8	-65.4	0	0	0	112.4	K566 N568 V606 D608 Q613 Y614 E615	K566-D611 WeakPolarHBondContact CE-OD2 3.48Å; K566-D611 IonicContact NZ-OD1 3.31Å; K566-D611 IonicContact NZ-OD2 2.75Å; K566-D611 PolarHBondContact NZ-OD2 3.12Å; N568-D611 WeakPolarHBondContact OD1-CB 3.4Å; V606-D611 HydrophobicContact CG1-CB 3.47Å; V606-D611 VanDerWaalsContact CG1-CB 3.47Å; D608-D611 HydrophobicContact CB-CB 4.34Å; D608-D611 WeakPolarHBondContact CB-OD2 3.45Å; D608-D611 PolarHBondContact O-N 3.05Å; D611-Q613 VanDerWaalsContact C-N 3.25Å; D611-Q613 PolarHBondContact O-N 3.01Å; D611-Y614 PolarHBondContact O-N 3.23Å; D611-E615 WeakPolarHBondContact O-CB 3.48Å; D611-E615 PolarHBondContact O-N 2.89Å
612	Q	91.5	Very high	90.3	Very high	42 Å²	42	58.8 Å²	58.8	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-56.2	-44.4	171.3	-78.6	176	12.4	0	0	110.6	L603 V606 D608 K609 L616	L603-Q612 PolarHBondContact O-NE2 3.4Å; V606-Q612 HydrophobicContact CB-CG 3.63Å; V606-Q612 HydrophobicContact CG1-CB 4.48Å; V606-Q612 HydrophobicContact CG1-CG 3.85Å; V606-Q612 PolarHBondContact O-NE2 3.09Å; D608-Q612 WeakPolarHBondContact O-CB 3.15Å; D608-Q612 VanDerWaalsContact O-CG 3.29Å; D608-Q612 WeakPolarHBondContact O-CG 3.32Å; D608-Q612 PolarHBondContact O-N 2.99Å; K609-Q612 WeakPolarHBondContact O-CB 3.24Å; Q612-L616 VanDerWaalsContact O-CB 3.23Å; Q612-L616 WeakPolarHBondContact O-CB 3.22Å; Q612-L616 PolarHBondContact O-N 2.74Å
613	Q	91.2	Very high	90.6	Very high	81 Å²	81	58.8 Å²	58.8	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-70.8	-39.4	180	-174.2	56.4	55.1	0	0	111.8	K609 E610 D611 L616 N617	K609-Q613 PolarHBondContact O-N 2.97Å; K609-Q613 VanDerWaalsContact O-N 3.1Å; E610-Q613 PolarHBondContact O-N 3.31Å; E610-Q613 VanDerWaalsContact O-N 3.17Å; D611-Q613 VanDerWaalsContact C-N 3.25Å; D611-Q613 PolarHBondContact O-N 3.01Å; Q613-L616 PolarHBondContact O-N 3.18Å; Q613-N617 PolarHBondContact NE2-ND2 2.83Å; Q613-N617 PolarHBondContact NE2-OD1 2.99Å; Q613-N617 WeakPolarHBondContact O-CB 3.12Å; Q613-N617 PolarHBondContact O-N 3.47Å; Q613-N617 PolarHBondContact O-ND2 3.16Å
614	Y	92.5	Very high	91	Very high	155 Å²	155	60.3 Å²	60.3	61%	0.608	28%	0.279	S	S	*	.	H	α-helix	trans	-60	-48.9	172.9	177.5	-95.7	0	0	0	111.6	E610 D611 L616 N617 R618	E610-Y614 PolarHBondContact O-N 3.36Å; D611-Y614 PolarHBondContact O-N 3.23Å; Y614-L616 PolarHBondContact O-N 3.33Å; Y614-N617 WeakPolarHBondContact O-CB 3.33Å; Y614-N617 PolarHBondContact O-N 3.34Å; Y614-R618 PolarHBondContact O-N 3.47Å
615	E	93.3	Very high	91.3	Very high	9 Å²	9	55.5 Å²	55.5	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-41.8	178.7	173.7	63	-177.4	0	0	111.6	V569 R571 S602 V606 D611 N617 R618 I619	V569-E615 HydrophobicContact CG2-CG 4.06Å; R571-E615 IonicContact CZ-OE1 2.73Å; R571-E615 IonicContact CZ-OE2 4Å; R571-E615 IonicContact NH1-OE1 3.9Å; R571-E615 PolarHBondContact NH1-OE1 3.07Å; R571-E615 IonicContact NH1-OE2 3.47Å; R571-E615 PolarHBondContact NH1-OE2 2.91Å; R571-E615 IonicContact NH2-OE1 3.36Å; R571-E615 PolarHBondContact NH2-OE1 3.48Å; R571-E615 IonicContact NH2-OE2 3.31Å; R571-E615 PolarHBondContact NH2-OE2 3.48Å; S602-E615 VanDerWaalsContact CB-CG 3.44Å; V606-E615 HydrophobicContact CG2-CB 4.42Å; V606-E615 HydrophobicContact CG2-CG 4.34Å; D611-E615 WeakPolarHBondContact O-CB 3.48Å; D611-E615 PolarHBondContact O-N 2.89Å; E615-N617 PolarHBondContact O-N 2.91Å; E615-R618 WeakPolarHBondContact O-CB 3.48Å; E615-R618 PolarHBondContact O-N 3.18Å; E615-I619 HydrophobicContact CG-CD1 3.95Å; E615-I619 VanDerWaalsContact O-CG1 3.3Å; E615-I619 WeakPolarHBondContact O-CG1 3.47Å; E615-I619 PolarHBondContact O-N 2.96Å
616	L	92	Very high	91.6	Very high	7 Å²	7	55 Å²	55	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-45.1	174.5	179.5	62.6	0	0	0	111.3	I599 Q612 Q613 Y614 R618 I619 L620	I599-L616 HydrophobicContact CG1-CD1 3.92Å; I599-L616 HydrophobicContact CG2-CD1 4.27Å; Q612-L616 VanDerWaalsContact O-CB 3.23Å; Q612-L616 WeakPolarHBondContact O-CB 3.22Å; Q612-L616 PolarHBondContact O-N 2.74Å; Q613-L616 PolarHBondContact O-N 3.18Å; Y614-L616 PolarHBondContact O-N 3.33Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-R618 PolarHBondContact O-N 3.11Å; L616-I619 PolarHBondContact O-N 2.95Å; L616-L620 HydrophobicContact CD1-CD1 4.41Å; L616-L620 HydrophobicContact CD1-CG 4.36Å; L616-L620 HydrophobicContact CG-CD1 4.22Å; L616-L620 WeakPolarHBondContact O-CB 3.47Å; L616-L620 VanDerWaalsContact O-CG 3.26Å; L616-L620 WeakPolarHBondContact O-CG 3.42Å; L616-L620 PolarHBondContact O-N 3.05Å
617	N	92.8	Very high	91.8	Very high	89 Å²	89	56.4 Å²	56.4	48%	0.476	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-42.3	177.1	-74.5	-25	0	0	0	111.5	Q613 Y614 E615 L620 S621	Q613-N617 PolarHBondContact NE2-ND2 2.83Å; Q613-N617 PolarHBondContact NE2-OD1 2.99Å; Q613-N617 WeakPolarHBondContact O-CB 3.12Å; Q613-N617 PolarHBondContact O-N 3.47Å; Q613-N617 PolarHBondContact O-ND2 3.16Å; Y614-N617 WeakPolarHBondContact O-CB 3.33Å; Y614-N617 PolarHBondContact O-N 3.34Å; E615-N617 PolarHBondContact O-N 2.91Å; N617-L620 PolarHBondContact O-N 2.99Å; N617-S621 PolarHBondContact O-N 3.05Å
618	R	92.8	Very high	92.3	Very high	85 Å²	85	55 Å²	55	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-50.4	174.6	-176.4	178.2	174.9	177.9	5	111.5	E577 Y614 E615 L616 L620 S621 T622	E577-R618 IonicContact OE1-CZ 2.69Å; E577-R618 IonicContact OE1-NE 3.49Å; E577-R618 PolarHBondContact OE1-NE 3.32Å; E577-R618 IonicContact OE1-NH2 3.9Å; E577-R618 PolarHBondContact OE1-NH2 2.9Å; Y614-R618 PolarHBondContact O-N 3.47Å; E615-R618 WeakPolarHBondContact O-CB 3.48Å; E615-R618 PolarHBondContact O-N 3.18Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-R618 PolarHBondContact O-N 3.11Å; R618-L620 VanDerWaalsContact C-N 3.3Å; R618-L620 PolarHBondContact O-N 2.94Å; R618-S621 WeakPolarHBondContact O-CA 3.38Å; R618-S621 WeakPolarHBondContact O-CB 3.42Å; R618-S621 PolarHBondContact O-N 3.47Å; R618-T622 PolarHBondContact O-N 2.95Å; R618-T622 PolarHBondContact O-OG1 3.17Å
619	I	93.2	Very high	92.6	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-45	177.2	-72.8	164.6	0	0	0	111.1	L598 E615 L616 S621 T622 L623	L598-I619 HydrophobicContact CB-CD1 4.26Å; L598-I619 HydrophobicContact CB-CG2 3.72Å; L598-I619 HydrophobicContact CD1-CG2 4.23Å; L598-I619 WeakPolarHBondContact O-CD1 3.46Å; E615-I619 HydrophobicContact CG-CD1 3.95Å; E615-I619 VanDerWaalsContact O-CG1 3.3Å; E615-I619 WeakPolarHBondContact O-CG1 3.47Å; E615-I619 PolarHBondContact O-N 2.96Å; L616-I619 PolarHBondContact O-N 2.95Å; I619-S621 VanDerWaalsContact C-N 3.32Å; I619-S621 PolarHBondContact O-N 3.45Å; I619-T622 PolarHBondContact O-N 3.41Å; I619-L623 HydrophobicContact CG2-CD1 3.7Å; I619-L623 HydrophobicContact CG2-CG 4.32Å; I619-L623 WeakPolarHBondContact O-CB 3.31Å; I619-L623 VanDerWaalsContact O-CG 3.29Å; I619-L623 WeakPolarHBondContact O-CG 3.5Å; I619-L623 PolarHBondContact O-N 2.99Å
620	L	93.9	Very high	92.9	Very high	26 Å²	26	52.7 Å²	52.7	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-36.1	178.3	-69.6	175.2	0	0	0	112.2	L616 N617 R618 R624 L633 V637	L616-L620 HydrophobicContact CD1-CD1 4.41Å; L616-L620 HydrophobicContact CD1-CG 4.36Å; L616-L620 HydrophobicContact CG-CD1 4.22Å; L616-L620 WeakPolarHBondContact O-CB 3.47Å; L616-L620 VanDerWaalsContact O-CG 3.26Å; L616-L620 WeakPolarHBondContact O-CG 3.42Å; L616-L620 PolarHBondContact O-N 3.05Å; N617-L620 PolarHBondContact O-N 2.99Å; R618-L620 VanDerWaalsContact C-N 3.3Å; R618-L620 PolarHBondContact O-N 2.94Å; L620-R624 WeakPolarHBondContact O-CD 3.18Å; L620-R624 VanDerWaalsContact O-CG 3.25Å; L620-R624 WeakPolarHBondContact O-CG 3.19Å; L620-R624 PolarHBondContact O-N 3.05Å; L620-L633 HydrophobicContact CD2-CB 4.02Å; L620-L633 HydrophobicContact CD2-CD1 4.18Å; L620-L633 HydrophobicContact CD2-CG 4.48Å; L620-V637 HydrophobicContact CD2-CG2 4Å
621	S	92.8	Very high	93.1	Very high	58 Å²	58	50.6 Å²	50.6	41%	0.406	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-52.3	172.5	-163.5	0	0	0	0	110.8	N617 R618 I619 L623 R624 D625	N617-S621 PolarHBondContact O-N 3.05Å; R618-S621 WeakPolarHBondContact O-CA 3.38Å; R618-S621 WeakPolarHBondContact O-CB 3.42Å; R618-S621 PolarHBondContact O-N 3.47Å; I619-S621 VanDerWaalsContact C-N 3.32Å; I619-S621 PolarHBondContact O-N 3.45Å; S621-L623 VanDerWaalsContact C-N 3.31Å; S621-L623 PolarHBondContact O-N 3.26Å; S621-R624 WeakPolarHBondContact O-CB 3.48Å; S621-R624 PolarHBondContact O-N 3.4Å; S621-D625 PolarHBondContact O-N 3.5Å
622	T	92.2	Very high	93.2	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-40	178.8	-56.8	0	0	0	0	111.9	E577 Y579 R618 I619 R624 D625 N626	E577-T622 HydrophobicContact CB-CG2 3.69Å; E577-T622 HydrophobicContact CG-CG2 4.31Å; E577-T622 WeakPolarHBondContact O-CG2 3.15Å; E577-T622 PolarHBondContact OE2-OG1 2.83Å; Y579-T622 HydrophobicContact CD2-CG2 3.83Å; Y579-T622 HydrophobicContact CE2-CG2 3.6Å; R618-T622 PolarHBondContact O-N 2.95Å; R618-T622 PolarHBondContact O-OG1 3.17Å; I619-T622 PolarHBondContact O-N 3.41Å; T622-R624 VanDerWaalsContact C-N 3.34Å; T622-R624 PolarHBondContact O-N 2.94Å; T622-D625 WeakPolarHBondContact O-CB 3.44Å; T622-D625 PolarHBondContact O-N 2.81Å; T622-N626 PolarHBondContact O-N 2.85Å; T622-N626 PolarHBondContact O-ND2 3.41Å
623	L	94.7	Very high	93.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-36.8	176.2	-76.1	167.8	0	0	0	112.2	V595 L598 I619 S621 D625 N626 N627 Y628 L633	V595-L623 HydrophobicContact CB-CD1 4.3Å; V595-L623 HydrophobicContact CG1-CD1 3.94Å; V595-L623 HydrophobicContact CG2-CD1 3.95Å; V595-L623 HydrophobicContact CG2-CD2 4.12Å; L598-L623 HydrophobicContact CD1-CD1 4.38Å; L598-L623 HydrophobicContact CD1-CD2 3.99Å; L598-L623 HydrophobicContact CD1-CG 4.26Å; I619-L623 HydrophobicContact CG2-CD1 3.7Å; I619-L623 HydrophobicContact CG2-CG 4.32Å; I619-L623 WeakPolarHBondContact O-CB 3.31Å; I619-L623 VanDerWaalsContact O-CG 3.29Å; I619-L623 WeakPolarHBondContact O-CG 3.5Å; I619-L623 PolarHBondContact O-N 2.99Å; S621-L623 VanDerWaalsContact C-N 3.31Å; S621-L623 PolarHBondContact O-N 3.26Å; L623-D625 VanDerWaalsContact C-N 3.31Å; L623-D625 PolarHBondContact O-N 3.28Å; L623-N626 CarbonylContact O-C 3.21Å; L623-N626 WeakPolarHBondContact O-CA 3.26Å; L623-N626 PolarHBondContact O-N 3.34Å; L623-N626 VanDerWaalsContact O-N 3.08Å; L623-N627 PolarHBondContact O-N 2.95Å; L623-Y628 HydrophobicContact CB-CD2 4.37Å; L623-Y628 HydrophobicContact CB-CG 4.33Å; L623-Y628 HydrophobicContact CD2-CD1 4.5Å; L623-Y628 HydrophobicContact CD2-CD2 3.98Å; L623-Y628 HydrophobicContact CD2-CE2 3.98Å; L623-Y628 HydrophobicContact CD2-CG 4.26Å; L623-Y628 VanDerWaalsContact O-CB 3.3Å; L623-Y628 WeakPolarHBondContact O-CB 2.98Å; L623-Y628 VanDerWaalsContact O-CD2 3.24Å; L623-Y628 WeakPolarHBondContact O-CD2 3.39Å; L623-Y628 PolarHBondContact O-N 3.02Å; L623-L633 HydrophobicContact CB-CD1 3.97Å; L623-L633 HydrophobicContact CB-CD2 4.04Å; L623-L633 HydrophobicContact CD1-CD2 3.79Å; L623-L633 HydrophobicContact CG-CD2 4.48Å
624	R	94	Very high	93.4	Very high	104 Å²	104	50.5 Å²	50.5	39%	0.392	24%	0.235	S	C	.	.	H	α-helix	trans	-63.5	-39.9	173.4	-71.2	166.4	-174.4	172.6	3.8	111.5	L620 S621 T622 N626 N627 K630 L633	L620-R624 WeakPolarHBondContact O-CD 3.18Å; L620-R624 VanDerWaalsContact O-CG 3.25Å; L620-R624 WeakPolarHBondContact O-CG 3.19Å; L620-R624 PolarHBondContact O-N 3.05Å; S621-R624 WeakPolarHBondContact O-CB 3.48Å; S621-R624 PolarHBondContact O-N 3.4Å; T622-R624 VanDerWaalsContact C-N 3.34Å; T622-R624 PolarHBondContact O-N 2.94Å; R624-N626 PolarHBondContact O-N 3.42Å; R624-N627 WeakPolarHBondContact O-CA 3.41Å; R624-N627 PolarHBondContact O-N 3.35Å; R624-K630 HydrophobicContact CG-CG 4.46Å; R624-L633 HydrophobicContact CG-CD1 3.95Å
625	D	90.9	Very high	93.3	Very high	25 Å²	25	49 Å²	49	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-23.7	174.8	-64.8	-8.3	0	0	0	112	N162 T163 I164 S621 T622 L623 N627	N162-D625 PolarHBondContact ND2-O 2.95Å; N162-D625 PolarHBondContact OD1-O 2.93Å; T163-D625 PolarHBondContact OG1-OD1 3.45Å; T163-D625 PolarHBondContact OG1-OD2 3.38Å; I164-D625 HydrophobicContact CD1-CB 4.05Å; I164-D625 WeakPolarHBondContact CD1-O 3.38Å; I164-D625 HydrophobicContact CG1-CB 3.69Å; S621-D625 PolarHBondContact O-N 3.5Å; T622-D625 WeakPolarHBondContact O-CB 3.44Å; T622-D625 PolarHBondContact O-N 2.81Å; L623-D625 VanDerWaalsContact C-N 3.31Å; L623-D625 PolarHBondContact O-N 3.28Å; D625-N627 PolarHBondContact O-N 3.26Å
626	N	92.9	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	21.6	169.9	-71.4	-85	0	0	0	113.6	E577 R578 Y579 F582 T622 L623 R624 Y628	E577-N626 PolarHBondContact O-ND2 3.17Å; R578-N626 WeakPolarHBondContact CD-OD1 3.2Å; R578-N626 PolarHBondContact NH1-OD1 3.19Å; Y579-N626 PolarHBondContact N-OD1 3.41Å; Y579-N626 PolarHBondContact O-OD1 2.97Å; F582-N626 PolarHBondContact N-O 3.08Å; T622-N626 PolarHBondContact O-N 2.85Å; T622-N626 PolarHBondContact O-ND2 3.41Å; L623-N626 CarbonylContact O-C 3.21Å; L623-N626 WeakPolarHBondContact O-CA 3.26Å; L623-N626 PolarHBondContact O-N 3.34Å; L623-N626 VanDerWaalsContact O-N 3.08Å; R624-N626 PolarHBondContact O-N 3.42Å; N626-Y628 VanDerWaalsContact C-N 3.29Å; N626-Y628 HydrophobicContact CB-CD2 4.03Å; N626-Y628 HydrophobicContact CB-CE2 4.12Å; N626-Y628 WeakPolarHBondContact O-CD2 3.47Å; N626-Y628 PolarHBondContact O-N 3.36Å
627	N	93.7	Very high	93	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.171	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	14.6	178.4	-52.5	-51.9	0	0	0	115.5	N162 D581 F582 L623 R624 D625 P629	N162-N627 PolarHBondContact ND2-OD1 3.32Å; D581-N627 VanDerWaalsContact CG-ND2 3.27Å; D581-N627 PolarHBondContact OD1-ND2 3Å; D581-N627 PolarHBondContact OD2-ND2 3.32Å; F582-N627 VanDerWaalsContact CB-C 3.49Å; F582-N627 HydrophobicContact CB-CB 4.08Å; F582-N627 WeakPolarHBondContact CB-O 3.43Å; L623-N627 PolarHBondContact O-N 2.95Å; R624-N627 WeakPolarHBondContact O-CA 3.41Å; R624-N627 PolarHBondContact O-N 3.35Å; D625-N627 PolarHBondContact O-N 3.26Å; N627-P629 WeakPolarHBondContact O-CD 3.14Å
628	Y	96.3	Very high	92.8	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.016	24%	0.241	C	C	.	.			trans	-71	126.4	177.5	-75.2	-110.8	0	0	0	110.9	L580 F582 K591 V595 L623 N626 F632 L633	L580-Y628 WeakPolarHBondContact O-CE2 3.33Å; L580-Y628 PolarHBondContact O-OH 2.99Å; F582-Y628 HydrophobicContact CB-CD2 4.04Å; F582-Y628 HydrophobicContact CB-CE2 4.26Å; F582-Y628 HydrophobicContact CB-CG 4.26Å; F582-Y628 AromaticContact CD2-CD1 3.74Å; F582-Y628 HydrophobicContact CD2-CD1 3.74Å; F582-Y628 AromaticContact CD2-CE1 3.99Å; F582-Y628 HydrophobicContact CD2-CE1 3.99Å; F582-Y628 HydrophobicContact CD2-CG 4.02Å; F582-Y628 HydrophobicContact CE2-CD1 4.43Å; K591-Y628 HydrophobicContact CB-CE1 4Å; V595-Y628 HydrophobicContact CG2-CD1 3.68Å; V595-Y628 HydrophobicContact CG2-CE1 3.55Å; L623-Y628 HydrophobicContact CB-CD2 4.37Å; L623-Y628 HydrophobicContact CB-CG 4.33Å; L623-Y628 HydrophobicContact CD2-CD1 4.5Å; L623-Y628 HydrophobicContact CD2-CD2 3.98Å; L623-Y628 HydrophobicContact CD2-CE2 3.98Å; L623-Y628 HydrophobicContact CD2-CG 4.26Å; L623-Y628 VanDerWaalsContact O-CB 3.3Å; L623-Y628 WeakPolarHBondContact O-CB 2.98Å; L623-Y628 VanDerWaalsContact O-CD2 3.24Å; L623-Y628 WeakPolarHBondContact O-CD2 3.39Å; L623-Y628 PolarHBondContact O-N 3.02Å; N626-Y628 VanDerWaalsContact C-N 3.29Å; N626-Y628 HydrophobicContact CB-CD2 4.03Å; N626-Y628 HydrophobicContact CB-CE2 4.12Å; N626-Y628 WeakPolarHBondContact O-CD2 3.47Å; N626-Y628 PolarHBondContact O-N 3.36Å; Y628-F632 AromaticContact CD1-CD1 3.96Å; Y628-F632 HydrophobicContact CD1-CD1 3.96Å; Y628-F632 AromaticContact CD1-CE1 3.82Å; Y628-F632 HydrophobicContact CD1-CE1 3.82Å; Y628-F632 HydrophobicContact CE1-CE1 4.11Å; Y628-L633 HydrophobicContact CD1-CD2 4.13Å; Y628-L633 HydrophobicContact CG-CD2 4.29Å
629	P	95.9	Very high	92.4	Very high	54 Å²	54	53.9 Å²	53.9	35%	0.351	25%	0.249	S	C	.	.			trans	-63.1	141	179.2	-23	33.2	0	0	0	112.4	F582 N627 E631 F632 L633	F582-P629 HydrophobicContact CD1-CG 4.05Å; F582-P629 HydrophobicContact CE1-CG 3.64Å; F582-P629 HydrophobicContact CE2-CG 4.32Å; F582-P629 HydrophobicContact CZ-CG 3.79Å; N627-P629 WeakPolarHBondContact O-CD 3.14Å; P629-E631 VanDerWaalsContact C-N 3.33Å; P629-E631 PolarHBondContact O-N 3.17Å; P629-F632 HydrophobicContact CB-CB 4.01Å; P629-F632 HydrophobicContact CG-CB 4.33Å; P629-F632 WeakPolarHBondContact O-CB 3.49Å; P629-F632 PolarHBondContact O-N 3.25Å; P629-F632 VanDerWaalsContact O-N 3.13Å; P629-L633 PolarHBondContact O-N 3.44Å; P629-L633 VanDerWaalsContact O-N 3.07Å
630	K	93.6	Very high	91.8	Very high	122 Å²	122	55.5 Å²	55.5	53%	0.53	26%	0.256	S	S	.	.	H	α-helix	trans	-57.1	-44.6	-179.5	-67.1	-177	-179	172.7	0	112.8	R624 F632 L633 K634	R624-K630 HydrophobicContact CG-CG 4.46Å; K630-F632 VanDerWaalsContact C-N 3.32Å; K630-F632 PolarHBondContact O-N 3.05Å; K630-L633 PolarHBondContact O-N 3Å; K630-K634 WeakPolarHBondContact O-CG 3.37Å; K630-K634 PolarHBondContact O-N 3.16Å
631	E	93.7	Very high	90.9	Very high	124 Å²	124	62.8 Å²	62.8	58%	0.579	28%	0.282	S	S	*	.	H	α-helix	trans	-67.5	-34.1	-180	-62.4	-49.8	125	0	0	112.3	P629 K634 K635	P629-E631 VanDerWaalsContact C-N 3.33Å; P629-E631 PolarHBondContact O-N 3.17Å; E631-K634 IonicContact OE1-NZ 2.96Å; E631-K634 PolarHBondContact OE1-NZ 3.37Å; E631-K634 IonicContact OE2-NZ 2.94Å; E631-K635 WeakPolarHBondContact O-CB 3.46Å; E631-K635 PolarHBondContact O-N 2.89Å
632	F	93.7	Very high	90	Very high	40 Å²	40	65.5 Å²	65.5	18%	0.175	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-46	173.3	-179.4	-95.1	0	0	0	111.1	F582 L588 K591 V592 V595 Y628 P629 K630 K635 I636	F582-F632 HydrophobicContact CE2-CD1 4.14Å; F582-F632 HydrophobicContact CE2-CD2 4.33Å; F582-F632 HydrophobicContact CE2-CE1 4.15Å; F582-F632 HydrophobicContact CE2-CE2 4.35Å; F582-F632 HydrophobicContact CE2-CG 4.21Å; F582-F632 HydrophobicContact CE2-CZ 4.25Å; L588-F632 HydrophobicContact CD2-CE2 4.48Å; K591-F632 HydrophobicContact CB-CZ 4.33Å; V592-F632 HydrophobicContact CG2-CE2 4.04Å; V592-F632 HydrophobicContact CG2-CZ 3.57Å; V595-F632 HydrophobicContact CG2-CE1 4.32Å; Y628-F632 AromaticContact CD1-CD1 3.96Å; Y628-F632 HydrophobicContact CD1-CD1 3.96Å; Y628-F632 AromaticContact CD1-CE1 3.82Å; Y628-F632 HydrophobicContact CD1-CE1 3.82Å; Y628-F632 HydrophobicContact CE1-CE1 4.11Å; P629-F632 HydrophobicContact CB-CB 4.01Å; P629-F632 HydrophobicContact CG-CB 4.33Å; P629-F632 WeakPolarHBondContact O-CB 3.49Å; P629-F632 PolarHBondContact O-N 3.25Å; P629-F632 VanDerWaalsContact O-N 3.13Å; K630-F632 VanDerWaalsContact C-N 3.32Å; K630-F632 PolarHBondContact O-N 3.05Å; F632-K635 PolarHBondContact O-N 3.47Å; F632-I636 HydrophobicContact CD1-CD1 3.8Å; F632-I636 HydrophobicContact CE1-CD1 3.34Å; F632-I636 HydrophobicContact CE2-CD1 4.43Å; F632-I636 HydrophobicContact CZ-CD1 3.72Å; F632-I636 WeakPolarHBondContact O-CG1 3.49Å; F632-I636 PolarHBondContact O-N 3.47Å
633	L	94	Very high	88.7	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-47.1	177.3	-64	176.9	0	0	0	112.2	V595 L620 L623 R624 Y628 P629 K630 K635 I636 V637	V595-L633 HydrophobicContact CG1-CD2 3.91Å; V595-L633 HydrophobicContact CG2-CD2 3.81Å; L620-L633 HydrophobicContact CD2-CB 4.02Å; L620-L633 HydrophobicContact CD2-CD1 4.18Å; L620-L633 HydrophobicContact CD2-CG 4.48Å; L623-L633 HydrophobicContact CB-CD1 3.97Å; L623-L633 HydrophobicContact CB-CD2 4.04Å; L623-L633 HydrophobicContact CD1-CD2 3.79Å; L623-L633 HydrophobicContact CG-CD2 4.48Å; R624-L633 HydrophobicContact CG-CD1 3.95Å; Y628-L633 HydrophobicContact CD1-CD2 4.13Å; Y628-L633 HydrophobicContact CG-CD2 4.29Å; P629-L633 PolarHBondContact O-N 3.44Å; P629-L633 VanDerWaalsContact O-N 3.07Å; K630-L633 PolarHBondContact O-N 3Å; L633-K635 VanDerWaalsContact C-N 3.3Å; L633-K635 PolarHBondContact O-N 2.91Å; L633-I636 PolarHBondContact O-N 3.47Å; L633-I636 VanDerWaalsContact O-N 3.11Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 3.26Å
634	K	91.8	Very high	86.5	Confident	115 Å²	115	78 Å²	78	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-55.9	-44.6	177.2	-74.9	176.6	-177.2	171	0	111.9	K630 E631 I636 V637 R638	K630-K634 WeakPolarHBondContact O-CG 3.37Å; K630-K634 PolarHBondContact O-N 3.16Å; E631-K634 IonicContact OE1-NZ 2.96Å; E631-K634 PolarHBondContact OE1-NZ 3.37Å; E631-K634 IonicContact OE2-NZ 2.94Å; K634-I636 VanDerWaalsContact C-N 3.3Å; K634-I636 PolarHBondContact O-N 3.49Å; K634-V637 PolarHBondContact O-N 2.92Å; K634-R638 WeakPolarHBondContact O-CB 3.25Å; K634-R638 PolarHBondContact O-N 3.13Å
635	K	91.6	Very high	84.6	Confident	125 Å²	125	80.8 Å²	80.8	54%	0.543	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-40	177.9	-176.9	176.6	-178.7	173.6	0	112.1	E631 F632 L633 K639	E631-K635 WeakPolarHBondContact O-CB 3.46Å; E631-K635 PolarHBondContact O-N 2.89Å; F632-K635 PolarHBondContact O-N 3.47Å; L633-K635 VanDerWaalsContact C-N 3.3Å; L633-K635 PolarHBondContact O-N 2.91Å; K635-K639 WeakPolarHBondContact O-CG 3.42Å; K635-K639 PolarHBondContact O-N 3.43Å
636	I	90.4	Very high	82.8	Confident	9 Å²	9	88.2 Å²	88.2	5%	0.046	41%	0.41	C	S	.	.	H	α-helix	trans	-71.6	-48.2	178.9	-64.2	169	0	0	0	110.6	V592 V595 K596 I599 F632 L633 K634 R638 K639 E640	V592-I636 HydrophobicContact CB-CD1 4.33Å; V592-I636 HydrophobicContact CG1-CD1 4.2Å; V592-I636 HydrophobicContact CG1-CG1 4.44Å; V592-I636 HydrophobicContact CG2-CD1 4.06Å; V595-I636 HydrophobicContact CB-CD1 3.94Å; V595-I636 HydrophobicContact CB-CG2 4.47Å; V595-I636 HydrophobicContact CG1-CB 4.26Å; V595-I636 HydrophobicContact CG1-CD1 3.95Å; V595-I636 HydrophobicContact CG1-CG2 3.87Å; V595-I636 HydrophobicContact CG2-CD1 4.16Å; K596-I636 HydrophobicContact CG-CG2 4.06Å; I599-I636 HydrophobicContact CD1-CG2 4.31Å; F632-I636 HydrophobicContact CD1-CD1 3.8Å; F632-I636 HydrophobicContact CE1-CD1 3.34Å; F632-I636 HydrophobicContact CE2-CD1 4.43Å; F632-I636 HydrophobicContact CZ-CD1 3.72Å; F632-I636 WeakPolarHBondContact O-CG1 3.49Å; F632-I636 PolarHBondContact O-N 3.47Å; L633-I636 PolarHBondContact O-N 3.47Å; L633-I636 VanDerWaalsContact O-N 3.11Å; K634-I636 VanDerWaalsContact C-N 3.3Å; K634-I636 PolarHBondContact O-N 3.49Å; I636-R638 VanDerWaalsContact C-N 3.25Å; I636-R638 PolarHBondContact O-N 3.49Å; I636-K639 PolarHBondContact O-N 2.9Å; I636-K639 VanDerWaalsContact O-N 3.08Å; I636-E640 HydrophobicContact CG2-CG 4.29Å; I636-E640 PolarHBondContact O-N 3.29Å
637	V	88.2	Confident	81	Confident	21 Å²	21	93.6 Å²	93.6	13%	0.127	45%	0.446	C	S	.	.	H	α-helix	trans	-55.8	-43.5	178	173.8	0	0	0	0	110.8	I599 L620 L633 K634 E640 R641	I599-V637 HydrophobicContact CD1-CG2 3.75Å; L620-V637 HydrophobicContact CD2-CG2 4Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 3.26Å; K634-V637 PolarHBondContact O-N 2.92Å; V637-E640 PolarHBondContact O-N 2.97Å; V637-R641 WeakPolarHBondContact O-CG 3.46Å; V637-R641 PolarHBondContact O-N 3.18Å
638	R	87.6	Confident	79.6	Confident	149 Å²	149	98.2 Å²	98.2	56%	0.562	48%	0.475	S	S	*	.	H	α-helix	trans	-60.2	-47.9	176.3	-167.8	-176.4	76.3	-176.4	1.5	111.6	K634 I636 E640 R641 E642	K634-R638 WeakPolarHBondContact O-CB 3.25Å; K634-R638 PolarHBondContact O-N 3.13Å; I636-R638 VanDerWaalsContact C-N 3.25Å; I636-R638 PolarHBondContact O-N 3.49Å; R638-E640 PolarHBondContact O-N 3.39Å; R638-R641 PolarHBondContact O-N 2.83Å; R638-E642 VanDerWaalsContact CD-OE1 3.24Å; R638-E642 WeakPolarHBondContact CD-OE1 3.43Å; R638-E642 HydrophobicContact CG-CG 4.35Å; R638-E642 WeakPolarHBondContact CG-OE1 3.34Å; R638-E642 IonicContact NE-OE1 2.59Å; R638-E642 PolarHBondContact NE-OE1 2.9Å; R638-E642 IonicContact NE-OE2 3.57Å; R638-E642 WeakPolarHBondContact O-CB 3.45Å; R638-E642 WeakPolarHBondContact O-CG 3.24Å; R638-E642 PolarHBondContact O-N 2.94Å
639	K	85.2	Confident	78.4	Confident	112 Å²	112	106.2 Å²	106.2	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-38.2	179	-77.3	-174.7	173.9	-156.1	0	113.8	K635 I636 R641 E642 A643	K635-K639 WeakPolarHBondContact O-CG 3.42Å; K635-K639 PolarHBondContact O-N 3.43Å; I636-K639 PolarHBondContact O-N 2.9Å; I636-K639 VanDerWaalsContact O-N 3.08Å; K639-R641 VanDerWaalsContact C-N 3.31Å; K639-E642 PolarHBondContact O-N 3.14Å; K639-A643 WeakPolarHBondContact O-CB 3.42Å; K639-A643 PolarHBondContact O-N 2.9Å
640	E	81	Confident	77.6	Confident	38 Å²	38	108 Å²	108	18%	0.178	52%	0.515	C	S	.	.	H	α-helix	trans	-69	-31.2	177.6	-64.2	-55.8	112.3	0	0	111.7	K596 N600 I636 V637 R638	K596-E640 WeakPolarHBondContact CE-OE1 3.3Å; K596-E640 HydrophobicContact CG-CG 4.47Å; K596-E640 IonicContact NZ-OE1 2.7Å; K596-E640 PolarHBondContact NZ-OE1 3.21Å; N600-E640 PolarHBondContact ND2-OE2 3.17Å; N600-E640 PolarHBondContact OD1-OE2 3.2Å; I636-E640 HydrophobicContact CG2-CG 4.29Å; I636-E640 PolarHBondContact O-N 3.29Å; V637-E640 PolarHBondContact O-N 2.97Å; R638-E640 PolarHBondContact O-N 3.39Å
641	R	75.7	Confident	77.2	Confident	179 Å²	179	109 Å²	109	68%	0.675	53%	0.526	S	S	*	.	H	α-helix	trans	-73.5	-36.2	173	-69.3	177.6	178.5	-171.1	-3.5	112.8	V637 R638 K639 A643	V637-R641 WeakPolarHBondContact O-CG 3.46Å; V637-R641 PolarHBondContact O-N 3.18Å; R638-R641 PolarHBondContact O-N 2.83Å; K639-R641 VanDerWaalsContact C-N 3.31Å; R641-A643 VanDerWaalsContact C-N 3.32Å
642	E	72.6	Confident	77	Confident	114 Å²	114	106.9 Å²	106.9	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-79.6	-11.3	179.3	-71.4	169	176.5	0	0	113.3	R638 K639 K644	R638-E642 VanDerWaalsContact CD-OE1 3.24Å; R638-E642 WeakPolarHBondContact CD-OE1 3.43Å; R638-E642 HydrophobicContact CG-CG 4.35Å; R638-E642 WeakPolarHBondContact CG-OE1 3.34Å; R638-E642 IonicContact NE-OE1 2.59Å; R638-E642 PolarHBondContact NE-OE1 2.9Å; R638-E642 IonicContact NE-OE2 3.57Å; R638-E642 WeakPolarHBondContact O-CB 3.45Å; R638-E642 WeakPolarHBondContact O-CG 3.24Å; R638-E642 PolarHBondContact O-N 2.94Å; K639-E642 PolarHBondContact O-N 3.14Å; E642-K644 PolarHBondContact O-N 2.96Å
643	A	64.9	Low	76.8	Confident	64 Å²	64	111.1 Å²	111.1	53%	0.529	53%	0.531	S	S	.	.			trans	-66.7	96.7	-168.6	0	0	0	0	0	112.7	K639 R641	K639-A643 WeakPolarHBondContact O-CB 3.42Å; K639-A643 PolarHBondContact O-N 2.9Å; R641-A643 VanDerWaalsContact C-N 3.32Å
644	K	49.3	Very low	76.7	Confident	204 Å²	204	112.1 Å²	112.1	89%	0.887	54%	0.538	S	S	*	.			trans	-105.2	14.7	159.6	-80.1	-169.2	175.3	-176	0	113.4	E642 Q646	E642-K644 PolarHBondContact O-N 2.96Å; K644-Q646 PolarHBondContact O-N 2.92Å
645	L	54.2	Low	76.8	Confident	162 Å²	162	110.4 Å²	110.4	85%	0.848	54%	0.537	S	S	*	.			trans	-82.1	110.2	-167.1	-86.8	146.2	0	0	0	113.2	C647	L645-C647 PolarHBondContact O-N 3.29Å
646	Q	51.8	Low	76.9	Confident	182 Å²	182	104.6 Å²	104.6	85%	0.85	51%	0.512	S	S	*	.			trans	-47.7	117.6	147.2	-73.5	172.1	-17.9	0	0	108.4	K644 V648	K644-Q646 PolarHBondContact O-N 2.92Å; Q646-V648 PolarHBondContact O-N 2.72Å
647	C	55.6	Low	77.1	Confident	112 Å²	112	107.4 Å²	107.4	76%	0.757	53%	0.53	S	S	*	.			trans	-75.6	112.5	170	-171.7	0	0	0	0	106.9	L645 Q649	L645-C647 PolarHBondContact O-N 3.29Å; C647-Q649 PolarHBondContact O-N 2.94Å
648	V	64.1	Low	77.3	Confident	130 Å²	130	106.4 Å²	106.4	79%	0.788	52%	0.524	S	S	*	.			trans	-62.7	110	165.9	-178.9	0	0	0	0	106.2	Q646 K650	Q646-V648 PolarHBondContact O-N 2.72Å; V648-K650 PolarHBondContact O-N 3.42Å
649	Q	72.2	Confident	77.5	Confident	171 Å²	171	99.3 Å²	99.3	80%	0.799	50%	0.497	S	S	*	.			trans	-66.3	106.3	173.5	-71.6	-171.3	-8.4	0	0	106.9	C647	C647-Q649 PolarHBondContact O-N 2.94Å
650	K	78.8	Confident	77.9	Confident	92 Å²	92	94.9 Å²	94.9	40%	0.4	48%	0.477	S	S	.	.			trans	-79.7	125.2	169.7	-175.4	173.9	-177.9	179.3	0	107.8	V648 W652 N673 D676	V648-K650 PolarHBondContact O-N 3.42Å; K650-W652 HydrophobicContact CB-CZ2 4.44Å; K650-W652 HydrophobicContact CD-CH2 4.11Å; K650-W652 HydrophobicContact CD-CZ2 4.01Å; K650-W652 HydrophobicContact CD-CZ3 4.47Å; K650-W652 HydrophobicContact CG-CZ2 4.48Å; K650-W652 PolarHBondContact O-NE1 2.9Å; K650-W652 VanDerWaalsContact O-NE1 3.14Å; K650-N673 PolarHBondContact NZ-O 2.94Å; K650-D676 WeakPolarHBondContact CE-OD1 3.45Å; K650-D676 IonicContact NZ-OD1 2.61Å; K650-D676 PolarHBondContact NZ-OD1 3.12Å
651	D	85.1	Confident	78.4	Confident	142 Å²	142	93.4 Å²	93.4	76%	0.759	47%	0.47	S	S	*	.			trans	-73.5	126.1	170.5	-66.3	-37.3	0	0	0	109.8
652	W	90.2	Very high	79	Confident	81 Å²	81	86.6 Å²	86.6	31%	0.307	45%	0.45	S	S	.	.			trans	-106.6	130.7	-178.9	-61.2	90.9	0	0	0	108.7	K650 S654 N673 D676 R678	K650-W652 HydrophobicContact CB-CZ2 4.44Å; K650-W652 HydrophobicContact CD-CH2 4.11Å; K650-W652 HydrophobicContact CD-CZ2 4.01Å; K650-W652 HydrophobicContact CD-CZ3 4.47Å; K650-W652 HydrophobicContact CG-CZ2 4.48Å; K650-W652 PolarHBondContact O-NE1 2.9Å; K650-W652 VanDerWaalsContact O-NE1 3.14Å; W652-S654 VanDerWaalsContact C-N 3.32Å; W652-N673 HydrophobicContact CZ3-CB 4.4Å; W652-D676 CarbonylContact C-O 3.54Å; W652-D676 WeakPolarHBondContact CA-O 3.38Å; W652-R678 HydrophobicContact CB-CB 4.09Å; W652-R678 HydrophobicContact CD2-CB 3.51Å; W652-R678 HydrophobicContact CD2-CG 3.83Å; W652-R678 VanDerWaalsContact CE3-CA 3.44Å; W652-R678 HydrophobicContact CE3-CB 3.56Å; W652-R678 HydrophobicContact CE3-CG 4.16Å; W652-R678 VanDerWaalsContact CE3-N 3.28Å; W652-R678 HydrophobicContact CG-CB 3.74Å; W652-R678 HydrophobicContact CG-CG 4.17Å; W652-R678 HydrophobicContact CZ2-CG 4.31Å; W652-R678 HydrophobicContact CZ3-CB 4.19Å
653	K	89.5	Confident	79.8	Confident	128 Å²	128	87.4 Å²	87.4	56%	0.557	45%	0.454	S	S	*	.	S	Bend	trans	-68.6	-33.5	177.4	-66.2	178.6	-178.2	178.4	0	112.2	L215 D676	L215-K653 HydrophobicContact CD2-CD 4.12Å; K653-D676 HydrophobicContact CD-CB 4.16Å; K653-D676 HydrophobicContact CG-CB 4.01Å; K653-D676 PolarHBondContact N-O 2.96Å
654	S	91.1	Very high	81	Confident	24 Å²	24	84.6 Å²	84.6	17%	0.168	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	166.8	-179.2	-170	0	0	0	0	111.6	A211 W652 R678	A211-S654 WeakPolarHBondContact CB-OG 3.13Å; W652-S654 VanDerWaalsContact C-N 3.32Å; S654-R678 PolarHBondContact O-N 3.47Å
655	T	93.5	Very high	83.1	Confident	79 Å²	79	74.9 Å²	74.9	49%	0.485	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.1	176.4	-63.8	0	0	0	0	110.9	R678 Y680	T655-R678 CarbonylContact C-O 3.52Å; T655-R678 WeakPolarHBondContact CA-O 3.37Å; T655-R678 HydrophobicContact CG2-CB 4.48Å; T655-Y680 HydrophobicContact CG2-CD2 3.51Å; T655-Y680 HydrophobicContact CG2-CE2 3.64Å
656	V	93.6	Very high	84.9	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.5	-179.3	172.1	0	0	0	0	110.2	I208 A211 I658 I677 R678 V679 Y680	I208-V656 HydrophobicContact CG1-CG1 3.85Å; A211-V656 HydrophobicContact CB-CG2 3.3Å; V656-I658 HydrophobicContact CG1-CG2 3.75Å; V656-I677 HydrophobicContact CB-CG2 4.33Å; V656-I677 HydrophobicContact CG2-CG2 3.69Å; V656-R678 PolarHBondContact N-O 3.36Å; V656-V679 WeakPolarHBondContact O-CA 3.43Å; V656-Y680 PolarHBondContact O-N 2.89Å
657	V	94.1	Very high	86.9	Confident	68 Å²	68	64 Å²	64	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111	174.3	-171.3	0	0	0	0	110.4	Y680 R682	V657-Y680 WeakPolarHBondContact CA-O 3.41Å; V657-R682 HydrophobicContact CG1-CB 3.91Å; V657-R682 HydrophobicContact CG1-CG 4.2Å
658	I	93.2	Very high	88.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	154.6	178.6	62.1	177.7	0	0	0	112.3	A207 I208 V656 I668 V679 Y680 F681 R682	A207-I658 HydrophobicContact CB-CG2 4.37Å; I208-I658 HydrophobicContact CD1-CG2 4.28Å; I208-I658 HydrophobicContact CG1-CG2 4.11Å; V656-I658 HydrophobicContact CG1-CG2 3.75Å; I658-I668 HydrophobicContact CD1-CB 4.05Å; I658-I668 HydrophobicContact CD1-CD1 4.4Å; I658-I668 HydrophobicContact CD1-CG2 3.72Å; I658-V679 HydrophobicContact CD1-CG1 3.97Å; I658-V679 HydrophobicContact CG1-CG1 3.91Å; I658-Y680 PolarHBondContact N-O 2.95Å; I658-F681 HydrophobicContact CD1-CD1 4.45Å; I658-F681 HydrophobicContact CD1-CE1 4.17Å; I658-F681 HydrophobicContact CG1-CD1 3.9Å; I658-F681 HydrophobicContact CG1-CE1 4.1Å; I658-F681 CarbonylContact O-C 3.52Å; I658-F681 VanDerWaalsContact O-CA 3.27Å; I658-F681 WeakPolarHBondContact O-CA 3.38Å; I658-R682 PolarHBondContact O-N 3.26Å
659	P	92.6	Very high	90.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	140.4	171.3	-18.5	29.5	0	0	0	111.9	L199 N203 S665 R682	L199-P659 HydrophobicContact CD2-CB 3.89Å; L199-P659 HydrophobicContact CD2-CG 4.44Å; N203-P659 HydrophobicContact CB-CG 3.89Å; P659-S665 PolarHBondContact O-OG 2.9Å; P659-R682 WeakPolarHBondContact CA-O 3.49Å; P659-R682 HydrophobicContact CB-CG 4.45Å; P659-R682 HydrophobicContact CG-CG 4.43Å
660	Y	92.7	Very high	91.3	Very high	19 Å²	19	55.2 Å²	55.2	8%	0.075	26%	0.264	C	S	.	.			trans	-76.7	129.9	174.5	-173.9	-106.7	0	0	0	112	A585 A587 E666 F681 R682	A585-Y660 WeakPolarHBondContact O-CD1 2.91Å; A587-Y660 VanDerWaalsContact CA-CE2 3.43Å; A587-Y660 VanDerWaalsContact CA-CZ 3.4Å; A587-Y660 HydrophobicContact CB-CD2 3.74Å; A587-Y660 HydrophobicContact CB-CE2 3.48Å; A587-Y660 VanDerWaalsContact CB-CE2 3.48Å; A587-Y660 HydrophobicContact CB-CG 4.47Å; Y660-E666 HydrophobicContact CE2-CG 4.33Å; Y660-E666 PolarHBondContact OH-OE1 3.21Å; Y660-F681 HydrophobicContact CD2-CB 4.16Å; Y660-F681 HydrophobicContact CD2-CD1 4.24Å; Y660-F681 AromaticContact CD2-CD2 3.85Å; Y660-F681 HydrophobicContact CD2-CD2 3.85Å; Y660-F681 HydrophobicContact CD2-CE2 4.23Å; Y660-F681 AromaticContact CD2-CG 3.84Å; Y660-F681 HydrophobicContact CD2-CG 3.84Å; Y660-F681 HydrophobicContact CE2-CD2 4.36Å; Y660-F681 HydrophobicContact CE2-CE2 4.4Å; Y660-R682 PolarHBondContact N-O 3.2Å
661	R	90.8	Very high	92.1	Very high	7 Å²	7	52 Å²	52	3%	0.026	25%	0.251	C	S	.	.			trans	-141.1	135.2	162.4	179.5	-163.8	169.8	89.9	-17.6	107.3	R196 P197 Q198 L199 K235 T664 S665	R196-R661 PolarHBondContact O-NH1 3.43Å; P197-R661 PolarHBondContact O-NH1 3.38Å; P197-R661 PolarHBondContact O-NH2 3.09Å; Q198-R661 VanDerWaalsContact N-NH1 3.13Å; L199-R661 HydrophobicContact CD1-CB 3.78Å; L199-R661 HydrophobicContact CD1-CG 4.47Å; L199-R661 HydrophobicContact CD2-CB 3.98Å; L199-R661 HydrophobicContact CG-CB 3.74Å; L199-R661 HydrophobicContact CG-CG 4.33Å; K235-R661 PolarHBondContact O-NH2 2.76Å; R661-T664 WeakPolarHBondContact CD-OG1 3.47Å; R661-T664 PolarHBondContact NE-OG1 2.96Å; R661-S665 PolarHBondContact N-OG 3.28Å; R661-S665 VanDerWaalsContact O-CB 3.28Å; R661-S665 WeakPolarHBondContact O-CB 3.3Å; R661-S665 PolarHBondContact O-N 3.47Å; R661-S665 VanDerWaalsContact O-N 3.17Å; R661-S665 PolarHBondContact O-OG 3.14Å
662	S	88.6	Confident	92.5	Very high	36 Å²	36	45.3 Å²	45.3	25%	0.252	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	144.3	174.5	-161.9	0	0	0	0	110.4	T664	S662-T664 VanDerWaalsContact C-N 3.25Å; S662-T664 PolarHBondContact O-N 3.08Å
663	E	89.3	Confident	92.7	Very high	132 Å²	132	43.5 Å²	43.5	62%	0.617	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	-65.8	179.6	-50.7	169.9	-173.3	0	0	113.7	E666 E667	E663-E666 PolarHBondContact O-N 2.93Å; E663-E667 WeakPolarHBondContact O-CB 3.45Å; E663-E667 PolarHBondContact O-N 3.39Å
664	T	91	Very high	92.8	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-47.5	-172.2	-43.3	0	0	0	0	112.7	L199 L231 Q234 R661 S662 E666 E667 I668	L199-T664 HydrophobicContact CD1-CG2 3.85Å; L231-T664 HydrophobicContact CD2-CG2 4.29Å; Q234-T664 HydrophobicContact CB-CG2 4.39Å; R661-T664 WeakPolarHBondContact CD-OG1 3.47Å; R661-T664 PolarHBondContact NE-OG1 2.96Å; S662-T664 VanDerWaalsContact C-N 3.25Å; S662-T664 PolarHBondContact O-N 3.08Å; T664-E666 PolarHBondContact O-N 2.98Å; T664-E667 PolarHBondContact O-N 2.88Å; T664-I668 HydrophobicContact CG2-CD1 4.33Å; T664-I668 WeakPolarHBondContact O-CG1 3.44Å; T664-I668 PolarHBondContact O-N 3.24Å
665	S	92.4	Very high	92.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-28.2	178.3	-56	0	0	0	0	111.6	L199 P659 R661 K669 F681	L199-S665 WeakPolarHBondContact CD1-OG 3.32Å; P659-S665 PolarHBondContact O-OG 2.9Å; R661-S665 PolarHBondContact N-OG 3.28Å; R661-S665 VanDerWaalsContact O-CB 3.28Å; R661-S665 WeakPolarHBondContact O-CB 3.3Å; R661-S665 PolarHBondContact O-N 3.47Å; R661-S665 VanDerWaalsContact O-N 3.17Å; R661-S665 PolarHBondContact O-OG 3.14Å; S665-K669 WeakPolarHBondContact O-CB 3.38Å; S665-K669 PolarHBondContact O-N 3.05Å; S665-F681 WeakPolarHBondContact O-CE1 3.33Å
666	E	93.1	Very high	92.7	Very high	66 Å²	66	44.9 Å²	44.9	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-75	-36	176.7	-60.3	178.8	151.8	0	0	111.6	Y660 E663 T664 K669 R670	Y660-E666 HydrophobicContact CE2-CG 4.33Å; Y660-E666 PolarHBondContact OH-OE1 3.21Å; E663-E666 PolarHBondContact O-N 2.93Å; T664-E666 PolarHBondContact O-N 2.98Å; E666-K669 PolarHBondContact O-N 3.15Å; E666-R670 WeakPolarHBondContact O-CG 3.41Å; E666-R670 PolarHBondContact O-N 3.41Å
667	E	94.2	Very high	92.7	Very high	50 Å²	50	44.8 Å²	44.8	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-50.3	168.6	-173.9	179	172.2	0	0	111.2	A230 R233 E663 T664 K669 R670 I671	A230-E667 HydrophobicContact CB-CG 4.25Å; R233-E667 IonicContact CZ-OE1 2.68Å; R233-E667 IonicContact NH2-OE1 2.6Å; R233-E667 PolarHBondContact NH2-OE1 3.02Å; E663-E667 WeakPolarHBondContact O-CB 3.45Å; E663-E667 PolarHBondContact O-N 3.39Å; T664-E667 PolarHBondContact O-N 2.88Å; E667-K669 VanDerWaalsContact C-N 3.28Å; E667-K669 PolarHBondContact O-N 3.3Å; E667-R670 WeakPolarHBondContact O-CB 3.38Å; E667-R670 PolarHBondContact O-N 2.82Å; E667-I671 HydrophobicContact CG-CD1 4.03Å; E667-I671 WeakPolarHBondContact O-CG1 3.42Å; E667-I671 PolarHBondContact O-N 3.49Å
668	I	94	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.2	176.2	-66.4	168.3	0	0	0	110.5	I204 I208 I227 A230 L231 I658 T664 R670 I671 L672	I204-I668 HydrophobicContact CD1-CD1 4.26Å; I208-I668 HydrophobicContact CD1-CG2 4.04Å; I227-I668 HydrophobicContact CG1-CG2 4.49Å; I227-I668 HydrophobicContact CG2-CD1 4.41Å; I227-I668 HydrophobicContact CG2-CG1 4.42Å; A230-I668 HydrophobicContact CB-CG1 4.48Å; L231-I668 HydrophobicContact CD2-CD1 4.08Å; I658-I668 HydrophobicContact CD1-CB 4.05Å; I658-I668 HydrophobicContact CD1-CD1 4.4Å; I658-I668 HydrophobicContact CD1-CG2 3.72Å; T664-I668 HydrophobicContact CG2-CD1 4.33Å; T664-I668 WeakPolarHBondContact O-CG1 3.44Å; T664-I668 PolarHBondContact O-N 3.24Å; I668-R670 VanDerWaalsContact C-N 3.34Å; I668-R670 PolarHBondContact O-N 3.45Å; I668-I671 PolarHBondContact O-N 2.81Å; I668-L672 HydrophobicContact CG2-CD1 3.84Å; I668-L672 HydrophobicContact CG2-CG 4.35Å; I668-L672 WeakPolarHBondContact O-CB 3.44Å; I668-L672 WeakPolarHBondContact O-CG 3.48Å; I668-L672 PolarHBondContact O-N 3.32Å
669	K	95.1	Very high	92.7	Very high	64 Å²	64	46.5 Å²	46.5	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-43.7	174.1	172.3	169.5	-179.3	176.1	0	112.4	S665 E666 E667 I671 N673 V679 F681	S665-K669 WeakPolarHBondContact O-CB 3.38Å; S665-K669 PolarHBondContact O-N 3.05Å; E666-K669 PolarHBondContact O-N 3.15Å; E667-K669 VanDerWaalsContact C-N 3.28Å; E667-K669 PolarHBondContact O-N 3.3Å; K669-I671 VanDerWaalsContact C-N 3.35Å; K669-N673 WeakPolarHBondContact O-CB 3.46Å; K669-N673 PolarHBondContact O-N 3.4Å; K669-N673 PolarHBondContact O-OD1 3Å; K669-V679 HydrophobicContact CB-CB 4.02Å; K669-V679 HydrophobicContact CB-CG1 4.13Å; K669-V679 HydrophobicContact CB-CG2 4.39Å; K669-V679 HydrophobicContact CD-CB 4.37Å; K669-V679 HydrophobicContact CG-CB 3.96Å; K669-V679 HydrophobicContact CG-CG2 4.49Å; K669-F681 HydrophobicContact CB-CE1 4.29Å; K669-F681 HydrophobicContact CB-CZ 3.88Å; K669-F681 HydrophobicContact CD-CE1 4.48Å; K669-F681 HydrophobicContact CD-CE2 3.91Å; K669-F681 HydrophobicContact CD-CZ 3.56Å; K669-F681 HydrophobicContact CG-CZ 4.35Å
670	R	94.9	Very high	92.8	Very high	164 Å²	164	51.6 Å²	51.6	62%	0.619	23%	0.229	S	C	*	.	H	α-helix	trans	-64.1	-39.9	177.2	-75.9	-176.5	-67.6	175.5	1.5	112	E666 E667 I668 K674	E666-R670 WeakPolarHBondContact O-CG 3.41Å; E666-R670 PolarHBondContact O-N 3.41Å; E667-R670 WeakPolarHBondContact O-CB 3.38Å; E667-R670 PolarHBondContact O-N 2.82Å; I668-R670 VanDerWaalsContact C-N 3.34Å; I668-R670 PolarHBondContact O-N 3.45Å; R670-K674 WeakPolarHBondContact O-CG 3.38Å; R670-K674 PolarHBondContact O-N 3.27Å
671	I	94.4	Very high	92.9	Very high	24 Å²	24	52.7 Å²	52.7	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-50.2	177.8	-67.4	163.1	0	0	0	110.4	L223 K226 I227 A230 E667 I668 K669 K674 H675	L223-I671 HydrophobicContact CD2-CG2 3.41Å; L223-I671 VanDerWaalsContact CD2-CG2 3.41Å; K226-I671 HydrophobicContact CB-CD1 4.25Å; K226-I671 HydrophobicContact CB-CG2 4.15Å; K226-I671 HydrophobicContact CD-CG2 4.34Å; I227-I671 HydrophobicContact CG1-CG2 4.49Å; A230-I671 HydrophobicContact CB-CD1 4.49Å; E667-I671 HydrophobicContact CG-CD1 4.03Å; E667-I671 WeakPolarHBondContact O-CG1 3.42Å; E667-I671 PolarHBondContact O-N 3.49Å; I668-I671 PolarHBondContact O-N 2.81Å; K669-I671 VanDerWaalsContact C-N 3.35Å; I671-K674 PolarHBondContact O-N 3.05Å; I671-H675 PolarHBondContact O-ND1 2.95Å
672	L	94.1	Very high	92.9	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-70.9	-39.1	-177.9	-71.2	178.2	0	0	0	112.8	I208 L212 L223 I227 I668 K674 H675 I677 V679	I208-L672 HydrophobicContact CD1-CD1 4.22Å; I208-L672 HydrophobicContact CG1-CD1 4.32Å; L212-L672 HydrophobicContact CD2-CD2 4.21Å; L223-L672 HydrophobicContact CD1-CD2 4.5Å; I227-L672 HydrophobicContact CD1-CD2 4.04Å; I227-L672 HydrophobicContact CD1-CG 4.44Å; I668-L672 HydrophobicContact CG2-CD1 3.84Å; I668-L672 HydrophobicContact CG2-CG 4.35Å; I668-L672 WeakPolarHBondContact O-CB 3.44Å; I668-L672 WeakPolarHBondContact O-CG 3.48Å; I668-L672 PolarHBondContact O-N 3.32Å; L672-K674 PolarHBondContact O-N 2.89Å; L672-H675 CarbonylContact O-C 3.53Å; L672-H675 PolarHBondContact O-N 3.25Å; L672-I677 CarbonylContact C-O 3.55Å; L672-I677 HydrophobicContact CB-CB 4.05Å; L672-I677 HydrophobicContact CB-CG2 4.16Å; L672-I677 HydrophobicContact CD1-CG2 4.41Å; L672-I677 HydrophobicContact CD2-CB 4.49Å; L672-I677 HydrophobicContact CD2-CD1 3.93Å; L672-I677 HydrophobicContact CD2-CG2 4.45Å; L672-I677 PolarHBondContact O-N 3.33Å; L672-V679 HydrophobicContact CB-CG2 3.69Å; L672-V679 HydrophobicContact CD1-CG2 3.63Å; L672-V679 HydrophobicContact CG-CG2 4.3Å
673	N	93.4	Very high	92.9	Very high	44 Å²	44	58.2 Å²	58.2	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-26	178.7	-81.7	10.2	0	0	0	113.4	K650 W652 K669 H675 D676 I677	K650-N673 PolarHBondContact NZ-O 2.94Å; W652-N673 HydrophobicContact CZ3-CB 4.4Å; K669-N673 WeakPolarHBondContact O-CB 3.46Å; K669-N673 PolarHBondContact O-N 3.4Å; K669-N673 PolarHBondContact O-OD1 3Å; N673-H675 PolarHBondContact O-N 2.98Å; N673-D676 PolarHBondContact O-N 3.06Å; N673-I677 PolarHBondContact OD1-O 2.97Å; N673-I677 VanDerWaalsContact OD1-O 3.07Å
674	K	92.4	Very high	92.5	Very high	171 Å²	171	53.8 Å²	53.8	74%	0.743	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.3	174.3	-75.4	178.3	178.1	-168.6	0	113	R670 I671 L672	R670-K674 WeakPolarHBondContact O-CG 3.38Å; R670-K674 PolarHBondContact O-N 3.27Å; I671-K674 PolarHBondContact O-N 3.05Å; L672-K674 PolarHBondContact O-N 2.89Å
675	H	91	Very high	92.4	Very high	43 Å²	43	55.7 Å²	55.7	20%	0.199	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	24.2	-179.7	-56.6	78.1	0	0	0	110.9	L215 L223 I671 L672 N673 I677	L215-H675 HydrophobicContact CD1-CB 4.33Å; L223-H675 HydrophobicContact CD1-CB 4.24Å; I671-H675 PolarHBondContact O-ND1 2.95Å; L672-H675 CarbonylContact O-C 3.53Å; L672-H675 PolarHBondContact O-N 3.25Å; N673-H675 PolarHBondContact O-N 2.98Å; H675-I677 PolarHBondContact O-N 3.43Å
676	D	91.9	Very high	92.4	Very high	46 Å²	46	56.7 Å²	56.7	25%	0.246	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.3	178.3	-48.3	-45.6	0	0	0	114.4	K650 W652 K653 N673	K650-D676 WeakPolarHBondContact CE-OD1 3.45Å; K650-D676 IonicContact NZ-OD1 2.61Å; K650-D676 PolarHBondContact NZ-OD1 3.12Å; W652-D676 CarbonylContact C-O 3.54Å; W652-D676 WeakPolarHBondContact CA-O 3.38Å; K653-D676 HydrophobicContact CD-CB 4.16Å; K653-D676 HydrophobicContact CG-CB 4.01Å; K653-D676 PolarHBondContact N-O 2.96Å; N673-D676 PolarHBondContact O-N 3.06Å
677	I	92.9	Very high	92.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.4	171.6	-63.6	171.6	0	0	0	109.2	A211 L212 L215 V656 L672 N673 H675	A211-I677 HydrophobicContact CB-CG2 4.38Å; L212-I677 HydrophobicContact CD2-CD1 4.23Å; L215-I677 HydrophobicContact CD1-CD1 3.72Å; L215-I677 HydrophobicContact CG-CD1 4.45Å; V656-I677 HydrophobicContact CB-CG2 4.33Å; V656-I677 HydrophobicContact CG2-CG2 3.69Å; L672-I677 CarbonylContact C-O 3.55Å; L672-I677 HydrophobicContact CB-CB 4.05Å; L672-I677 HydrophobicContact CB-CG2 4.16Å; L672-I677 HydrophobicContact CD1-CG2 4.41Å; L672-I677 HydrophobicContact CD2-CB 4.49Å; L672-I677 HydrophobicContact CD2-CD1 3.93Å; L672-I677 HydrophobicContact CD2-CG2 4.45Å; L672-I677 PolarHBondContact O-N 3.33Å; N673-I677 PolarHBondContact OD1-O 2.97Å; N673-I677 VanDerWaalsContact OD1-O 3.07Å; H675-I677 PolarHBondContact O-N 3.43Å
678	R	94.4	Very high	92.2	Very high	100 Å²	100	55.7 Å²	55.7	38%	0.377	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.6	-178.7	-163.6	176.7	-174.1	170.1	3.7	110.6	W652 S654 T655 V656 Y680	W652-R678 HydrophobicContact CB-CB 4.09Å; W652-R678 HydrophobicContact CD2-CB 3.51Å; W652-R678 HydrophobicContact CD2-CG 3.83Å; W652-R678 VanDerWaalsContact CE3-CA 3.44Å; W652-R678 HydrophobicContact CE3-CB 3.56Å; W652-R678 HydrophobicContact CE3-CG 4.16Å; W652-R678 VanDerWaalsContact CE3-N 3.28Å; W652-R678 HydrophobicContact CG-CB 3.74Å; W652-R678 HydrophobicContact CG-CG 4.17Å; W652-R678 HydrophobicContact CZ2-CG 4.31Å; W652-R678 HydrophobicContact CZ3-CB 4.19Å; S654-R678 PolarHBondContact O-N 3.47Å; T655-R678 CarbonylContact C-O 3.52Å; T655-R678 WeakPolarHBondContact CA-O 3.37Å; T655-R678 HydrophobicContact CG2-CB 4.48Å; V656-R678 PolarHBondContact N-O 3.36Å; R678-Y680 HydrophobicContact CG-CE2 4.25Å; R678-Y680 PolarHBondContact NE-OH 3.41Å; R678-Y680 PolarHBondContact NH1-OH 3.03Å; R678-Y680 PolarHBondContact NH2-OH 3.45Å
679	V	94	Very high	91.9	Very high	4 Å²	4	59 Å²	59	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.9	178.7	-175.1	0	0	0	0	112.5	V656 I658 K669 L672 F681	V656-V679 WeakPolarHBondContact O-CA 3.43Å; I658-V679 HydrophobicContact CD1-CG1 3.97Å; I658-V679 HydrophobicContact CG1-CG1 3.91Å; K669-V679 HydrophobicContact CB-CB 4.02Å; K669-V679 HydrophobicContact CB-CG1 4.13Å; K669-V679 HydrophobicContact CB-CG2 4.39Å; K669-V679 HydrophobicContact CD-CB 4.37Å; K669-V679 HydrophobicContact CG-CB 3.96Å; K669-V679 HydrophobicContact CG-CG2 4.49Å; L672-V679 HydrophobicContact CB-CG2 3.69Å; L672-V679 HydrophobicContact CD1-CG2 3.63Å; L672-V679 HydrophobicContact CG-CG2 4.3Å; V679-F681 HydrophobicContact CG1-CD1 4.32Å; V679-F681 HydrophobicContact CG1-CE1 3.9Å
680	Y	94.2	Very high	91.5	Very high	106 Å²	106	57.1 Å²	57.1	42%	0.416	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	159.1	166.7	-67.7	-70.3	0	0	0	111.7	T655 V656 V657 I658 R678	T655-Y680 HydrophobicContact CG2-CD2 3.51Å; T655-Y680 HydrophobicContact CG2-CE2 3.64Å; V656-Y680 PolarHBondContact O-N 2.89Å; V657-Y680 WeakPolarHBondContact CA-O 3.41Å; I658-Y680 PolarHBondContact N-O 2.95Å; R678-Y680 HydrophobicContact CG-CE2 4.25Å; R678-Y680 PolarHBondContact NE-OH 3.41Å; R678-Y680 PolarHBondContact NH1-OH 3.03Å; R678-Y680 PolarHBondContact NH2-OH 3.45Å
681	F	93.9	Very high	91.2	Very high	42 Å²	42	50.1 Å²	50.1	18%	0.184	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130	-177.6	-57.4	-53.5	0	0	0	111.6	A587 I658 Y660 S665 K669 V679	A587-F681 HydrophobicContact CB-CD2 3.62Å; A587-F681 HydrophobicContact CB-CE2 4.09Å; I658-F681 HydrophobicContact CD1-CD1 4.45Å; I658-F681 HydrophobicContact CD1-CE1 4.17Å; I658-F681 HydrophobicContact CG1-CD1 3.9Å; I658-F681 HydrophobicContact CG1-CE1 4.1Å; I658-F681 CarbonylContact O-C 3.52Å; I658-F681 VanDerWaalsContact O-CA 3.27Å; I658-F681 WeakPolarHBondContact O-CA 3.38Å; Y660-F681 HydrophobicContact CD2-CB 4.16Å; Y660-F681 HydrophobicContact CD2-CD1 4.24Å; Y660-F681 AromaticContact CD2-CD2 3.85Å; Y660-F681 HydrophobicContact CD2-CD2 3.85Å; Y660-F681 HydrophobicContact CD2-CE2 4.23Å; Y660-F681 AromaticContact CD2-CG 3.84Å; Y660-F681 HydrophobicContact CD2-CG 3.84Å; Y660-F681 HydrophobicContact CE2-CD2 4.36Å; Y660-F681 HydrophobicContact CE2-CE2 4.4Å; S665-F681 WeakPolarHBondContact O-CE1 3.33Å; K669-F681 HydrophobicContact CB-CE1 4.29Å; K669-F681 HydrophobicContact CB-CZ 3.88Å; K669-F681 HydrophobicContact CD-CE1 4.48Å; K669-F681 HydrophobicContact CD-CE2 3.91Å; K669-F681 HydrophobicContact CD-CZ 3.56Å; K669-F681 HydrophobicContact CG-CZ 4.35Å; V679-F681 HydrophobicContact CG1-CD1 4.32Å; V679-F681 HydrophobicContact CG1-CE1 3.9Å
682	R	91.3	Very high	90.7	Very high	96 Å²	96	49.8 Å²	49.8	36%	0.362	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	147.2	169.7	62.4	177.9	177.2	169	0.3	111.3	N203 V657 I658 P659 Y660	N203-R682 PolarHBondContact O-NH2 3.16Å; N203-R682 VanDerWaalsContact O-NH2 3.09Å; V657-R682 HydrophobicContact CG1-CB 3.91Å; V657-R682 HydrophobicContact CG1-CG 4.2Å; I658-R682 PolarHBondContact O-N 3.26Å; P659-R682 WeakPolarHBondContact CA-O 3.49Å; P659-R682 HydrophobicContact CB-CG 4.45Å; P659-R682 HydrophobicContact CG-CG 4.43Å; Y660-R682 PolarHBondContact N-O 3.2Å
683	T	88.3	Confident	90	Very high	64 Å²	64	55.5 Å²	55.5	39%	0.393	26%	0.264	S	S	.	.			trans	-99	136.2	173.2	51.6	0	0	0	0	109.2	H586	H586-T683 VanDerWaalsContact CD2-CG2 3.46Å; H586-T683 WeakPolarHBondContact CD2-CG2 3.29Å; H586-T683 WeakPolarHBondContact NE2-CG2 3.26Å
684	C	82.3	Confident	89	Confident	38 Å²	38	54.6 Å²	54.6	26%	0.257	26%	0.26	S	S	.	.			trans	-129.6	-34.8	-169.5	-62.4	0	0	0	0	113.5	T686 S689	C684-T686 PolarHBondContact O-N 3.05Å; C684-S689 PolarHBondContact O-OG 3.12Å
685	D	87.9	Confident	88.1	Confident	46 Å²	46	50.3 Å²	50.3	25%	0.246	24%	0.241	C	C	.	.			trans	-104.5	50	-178.3	-51.3	-51.2	0	0	0	111.3	N193 I194 R196	N193-D685 WeakPolarHBondContact OD1-CA 3.32Å; N193-D685 PolarHBondContact OD1-N 3.07Å; N193-D685 PolarHBondContact OD1-O 3.38Å; I194-D685 HydrophobicContact CB-CB 4.25Å; I194-D685 WeakPolarHBondContact CG1-O 3.43Å; I194-D685 PolarHBondContact N-O 3.46Å; R196-D685 WeakPolarHBondContact CD-OD2 3.37Å; R196-D685 WeakPolarHBondContact CG-OD2 3.26Å; R196-D685 IonicContact CZ-OD1 3.1Å; R196-D685 IonicContact CZ-OD2 3.2Å; R196-D685 IonicContact NE-OD1 2.57Å; R196-D685 IonicContact NE-OD2 3.49Å; R196-D685 PolarHBondContact NE-OD2 3.3Å; R196-D685 IonicContact NH2-OD1 2.62Å; R196-D685 PolarHBondContact NH2-OD1 3.03Å; R196-D685 IonicContact NH2-OD2 3.15Å; R196-D685 PolarHBondContact NH2-OD2 3.28Å
686	T	91.8	Very high	87.2	Confident	20 Å²	20	49.9 Å²	49.9	12%	0.123	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-70.5	151.1	173.2	59.3	0	0	0	0	109.9	F192 N193 C684 R688 S689 S690	F192-T686 CarbonylContact O-C 3.37Å; F192-T686 VanDerWaalsContact O-CA 3.24Å; F192-T686 WeakPolarHBondContact O-CA 3.33Å; N193-T686 HydrophobicContact CB-CG2 4.33Å; N193-T686 PolarHBondContact OD1-N 3.39Å; C684-T686 PolarHBondContact O-N 3.05Å; T686-R688 PolarHBondContact O-N 2.68Å; T686-R688 VanDerWaalsContact O-N 3.16Å; T686-S689 PolarHBondContact N-OG 3.41Å; T686-S689 PolarHBondContact O-N 3.34Å; T686-S689 PolarHBondContact O-OG 3.32Å; T686-S689 PolarHBondContact OG1-N 2.88Å; T686-S689 VanDerWaalsContact OG1-N 3.16Å; T686-S689 PolarHBondContact OG1-OG 2.96Å; T686-S690 PolarHBondContact O-N 2.63Å
687	I	92.1	Very high	86.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53.9	-35.5	169.5	-65.4	179.6	0	0	0	109.6	L185 K188 L190 F192 L249 S690 L691	L185-I687 HydrophobicContact CD1-CD1 3.66Å; L185-I687 HydrophobicContact CD1-CG1 4.36Å; L185-I687 HydrophobicContact CG-CD1 4.42Å; K188-I687 HydrophobicContact CB-CD1 4.16Å; L190-I687 HydrophobicContact CD2-CG2 4.05Å; L190-I687 PolarHBondContact O-N 3.21Å; F192-I687 HydrophobicContact CB-CD1 3.76Å; F192-I687 HydrophobicContact CB-CG1 4.17Å; F192-I687 HydrophobicContact CD1-CD1 4.09Å; F192-I687 HydrophobicContact CD1-CG1 4.43Å; F192-I687 HydrophobicContact CG-CD1 4.25Å; F192-I687 PolarHBondContact O-N 2.84Å; L249-I687 HydrophobicContact CD1-CG2 4.24Å; I687-S690 PolarHBondContact O-N 3.47Å; I687-L691 HydrophobicContact CG2-CD1 3.55Å; I687-L691 HydrophobicContact CG2-CG 4.1Å; I687-L691 PolarHBondContact O-N 3.16Å
688	R	92.1	Very high	84.8	Confident	96 Å²	96	58.7 Å²	58.7	36%	0.362	27%	0.272	S	S	.	.	H	α-helix	trans	-55.1	-51.1	173.4	-167.3	176.4	177.8	169.4	-1.8	113.1	L190 T686 S690 L691 V692	L190-R688 HydrophobicContact CB-CB 3.94Å; L190-R688 HydrophobicContact CB-CG 4.41Å; L190-R688 VanDerWaalsContact O-CB 3.29Å; L190-R688 WeakPolarHBondContact O-CB 3.36Å; L190-R688 PolarHBondContact O-N 3.19Å; T686-R688 PolarHBondContact O-N 2.68Å; T686-R688 VanDerWaalsContact O-N 3.16Å; R688-S690 PolarHBondContact O-N 2.71Å; R688-L691 PolarHBondContact O-N 3.19Å; R688-V692 HydrophobicContact CG-CB 3.93Å; R688-V692 HydrophobicContact CG-CG2 3.92Å; R688-V692 WeakPolarHBondContact O-CA 3.41Å; R688-V692 WeakPolarHBondContact O-CB 3.27Å; R688-V692 PolarHBondContact O-N 2.87Å
689	S	88.1	Confident	83.3	Confident	70 Å²	70	57.3 Å²	57.3	49%	0.49	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-23.8	-178.3	60	0	0	0	0	112.4	C684 T686	C684-S689 PolarHBondContact O-OG 3.12Å; T686-S689 PolarHBondContact N-OG 3.41Å; T686-S689 PolarHBondContact O-N 3.34Å; T686-S689 PolarHBondContact O-OG 3.32Å; T686-S689 PolarHBondContact OG1-N 2.88Å; T686-S689 VanDerWaalsContact OG1-N 3.16Å; T686-S689 PolarHBondContact OG1-OG 2.96Å
690	S	86.4	Confident	81.6	Confident	23 Å²	23	65.7 Å²	65.7	16%	0.161	31%	0.312	C	S	.	.	H	α-helix	trans	-83	-40.5	176.9	-63.6	0	0	0	0	114	T686 I687 R688	T686-S690 PolarHBondContact O-N 2.63Å; I687-S690 PolarHBondContact O-N 3.47Å; R688-S690 PolarHBondContact O-N 2.71Å
691	L	88.4	Confident	79.7	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.089	33%	0.33	C	S	.	.	H	α-helix	trans	-103.1	-32.9	-170.9	-65.1	-175.9	0	0	0	114.2	L186 L249 L252 R253 I260 I687 R688 K693	L186-L691 HydrophobicContact CD2-CD1 3.81Å; L249-L691 HydrophobicContact CD1-CD1 3.9Å; L249-L691 HydrophobicContact CD1-CD2 3.75Å; L249-L691 HydrophobicContact CD1-CG 3.66Å; L252-L691 HydrophobicContact CB-CD2 3.73Å; L252-L691 HydrophobicContact CD1-CD1 4.28Å; R253-L691 HydrophobicContact CB-CD2 4.09Å; I260-L691 HydrophobicContact CD1-CB 4.26Å; I260-L691 HydrophobicContact CD1-CD1 3.96Å; I260-L691 HydrophobicContact CD1-CD2 4.47Å; I260-L691 HydrophobicContact CD1-CG 4.47Å; I687-L691 HydrophobicContact CG2-CD1 3.55Å; I687-L691 HydrophobicContact CG2-CG 4.1Å; I687-L691 PolarHBondContact O-N 3.16Å; R688-L691 PolarHBondContact O-N 3.19Å; L691-K693 PolarHBondContact O-N 3.42Å
692	V	84.8	Confident	78	Confident	18 Å²	18	68.9 Å²	68.9	11%	0.109	33%	0.332	C	S	.	.			trans	-98.6	96.6	-168	-172.2	0	0	0	0	110.3	L190 I260 R688 V694	L190-V692 HydrophobicContact CD1-CG2 3.8Å; L190-V692 HydrophobicContact CD2-CG2 3.83Å; L190-V692 HydrophobicContact CG-CG2 4.4Å; I260-V692 HydrophobicContact CG2-CG2 4.43Å; I260-V692 WeakPolarHBondContact O-CG1 3.13Å; R688-V692 HydrophobicContact CG-CB 3.93Å; R688-V692 HydrophobicContact CG-CG2 3.92Å; R688-V692 WeakPolarHBondContact O-CA 3.41Å; R688-V692 WeakPolarHBondContact O-CB 3.27Å; R688-V692 PolarHBondContact O-N 2.87Å; V692-V694 HydrophobicContact CG1-CG2 3.47Å; V692-V694 VanDerWaalsContact CG1-CG2 3.47Å; V692-V694 PolarHBondContact O-N 3.1Å
693	K	77.9	Confident	76.2	Confident	120 Å²	120	70 Å²	70	52%	0.522	34%	0.341	S	S	.	.			trans	-94.5	92.1	170.1	-64.1	174.4	-170.3	160	0	109.2	L691	L691-K693 PolarHBondContact O-N 3.42Å
694	V	73.8	Confident	74.3	Confident	26 Å²	26	74.8 Å²	74.8	16%	0.158	36%	0.363	C	S	.	.			trans	-76.1	-45.4	-173.7	179.9	0	0	0	0	112.1	R261 Y339 V692	R261-V694 PolarHBondContact NH2-O 3.1Å; Y339-V694 WeakPolarHBondContact CB-O 3.25Å; Y339-V694 HydrophobicContact CD1-CG1 3.52Å; Y339-V694 HydrophobicContact CD2-CG1 3.15Å; Y339-V694 HydrophobicContact CE1-CG1 4.03Å; Y339-V694 HydrophobicContact CE2-CG1 3.73Å; Y339-V694 HydrophobicContact CG-CG1 3.02Å; V692-V694 HydrophobicContact CG1-CG2 3.47Å; V692-V694 VanDerWaalsContact CG1-CG2 3.47Å; V692-V694 PolarHBondContact O-N 3.1Å
695	K	73.7	Confident	72.1	Confident	80 Å²	80	77.2 Å²	77.2	35%	0.348	38%	0.381	S	S	.	.	S	Bend	trans	-106.1	148.9	-166.2	-60.3	174.1	-176.3	-176.7	0	110.4	R337 Y339 D356	R337-K695 HydrophobicContact CB-CB 4.22Å; R337-K695 HydrophobicContact CB-CG 4.27Å; Y339-K695 HydrophobicContact CD1-CG 4.27Å; D356-K695 HydrophobicContact CB-CD 4.35Å; D356-K695 IonicContact OD1-NZ 3.4Å; D356-K695 PolarHBondContact OD1-NZ 3.2Å; D356-K695 VanDerWaalsContact OD2-CD 3.28Å; D356-K695 WeakPolarHBondContact OD2-CD 3.48Å; D356-K695 WeakPolarHBondContact OD2-CE 3.47Å; D356-K695 IonicContact OD2-NZ 3.08Å; D356-K695 PolarHBondContact OD2-NZ 2.95Å
696	D	71.2	Confident	71.3	Confident	34 Å²	34	78.8 Å²	78.8	18%	0.182	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-64	148.6	171.4	-64.9	-37.3	0	0	0	110.8	R337 R463	R337-D696 WeakPolarHBondContact CD-O 3.48Å; R463-D696 IonicContact CZ-OD1 2.58Å; R463-D696 PolarHBondContact N-OD2 3.38Å; R463-D696 IonicContact NH1-OD1 2.77Å; R463-D696 PolarHBondContact NH1-OD1 3.13Å
697	R	69.7	Low	70.2	Confident	209 Å²	209	81.9 Å²	81.9	79%	0.789	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-76.9	130.4	-179.6	-72.9	-177.5	172.3	-175.3	-5.6	109
698	L	64.6	Low	69	Low	23 Å²	23	86.4 Å²	86.4	12%	0.12	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-70.1	149.8	166.1	-67.8	-175.7	0	0	0	110.4	E702 Q703	L698-E702 HydrophobicContact CB-CB 4.17Å; L698-E702 HydrophobicContact CD1-CB 4.01Å; L698-Q703 HydrophobicContact CB-CG 3.9Å; L698-Q703 PolarHBondContact O-NE2 2.99Å
699	P	63.6	Low	67.7	Low	72 Å²	72	85.9 Å²	85.9	47%	0.468	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-47.8	147.1	160	-22.7	33	0	0	0	110.7	E701 E702 Q703	P699-E701 PolarHBondContact O-N 3.11Å; P699-E702 WeakPolarHBondContact CD-OE2 3.09Å; P699-E702 PolarHBondContact O-N 3.41Å; P699-E702 VanDerWaalsContact O-N 3.1Å; P699-Q703 PolarHBondContact O-N 2.85Å
700	K	57.8	Low	66.4	Low	179 Å²	179	86.9 Å²	86.9	78%	0.778	42%	0.423	S	S	*	.	H	α-helix	trans	-57.3	-35.1	-177.4	-74.5	-177.5	178.8	176.7	0	112.4	E702 Q703	K700-E702 VanDerWaalsContact C-N 3.32Å; K700-E702 PolarHBondContact O-N 3.19Å; K700-Q703 PolarHBondContact O-N 3.42Å
701	E	54.9	Low	65.1	Low	170 Å²	170	91.1 Å²	91.1	79%	0.794	44%	0.441	S	S	*	.	H	α-helix	trans	-59.9	-40.3	178.4	-66	167.4	-161.4	0	0	112	P699	P699-E701 PolarHBondContact O-N 3.11Å
702	E	57.3	Low	63.4	Low	46 Å²	46	96.4 Å²	96.4	22%	0.215	47%	0.466	C	S	.	.	H	α-helix	trans	-83.3	-9.5	-179.8	-62.7	-177.3	169.3	0	0	113.4	L698 P699 K700 L704 S705	L698-E702 HydrophobicContact CB-CB 4.17Å; L698-E702 HydrophobicContact CD1-CB 4.01Å; P699-E702 WeakPolarHBondContact CD-OE2 3.09Å; P699-E702 PolarHBondContact O-N 3.41Å; P699-E702 VanDerWaalsContact O-N 3.1Å; K700-E702 VanDerWaalsContact C-N 3.32Å; K700-E702 PolarHBondContact O-N 3.19Å; E702-L704 VanDerWaalsContact C-N 3.35Å; E702-S705 PolarHBondContact O-OG 3.18Å
703	Q	54.7	Low	61.7	Low	120 Å²	120	102.5 Å²	102.5	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-79.6	-19.5	174.5	-67.6	-179.8	20.6	0	0	112.8	L698 P699 K700	L698-Q703 HydrophobicContact CB-CG 3.9Å; L698-Q703 PolarHBondContact O-NE2 2.99Å; P699-Q703 PolarHBondContact O-N 2.85Å; K700-Q703 PolarHBondContact O-N 3.42Å
704	L	47.2	Very low	60.4	Low	163 Å²	163	101 Å²	101	85%	0.853	49%	0.491	S	S	*	.			trans	-90.7	-14.6	-178.4	-69.2	167.1	0	0	0	113.1	E702	E702-L704 VanDerWaalsContact C-N 3.35Å
705	S	36.4	Very low	59.2	Low	90 Å²	90	107.8 Å²	107.8	63%	0.629	52%	0.522	S	S	*	.			trans	-85.1	0	174.7	70.2	0	0	0	0	112.1	N334 E702	N334-S705 PolarHBondContact ND2-OG 2.87Å; E702-S705 PolarHBondContact O-OG 3.18Å

Retrieved 705 of 705 residues in 449.3 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).