A0A3Q0KCW2_SCHMA Loading...

Glycogen [starch] synthase

Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB , UniProt , Accession A0A3Q0KCW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 713 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.8	Very low	28	Very low	250 Å²	250	137.8 Å²	137.8	100%	1.232	77%	0.772	S	S	*	*				0	57.8	0	-79.5	178.7	166.8	0	0	110.5
2	S	25.4	Very low	28.5	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	78%	0.776	S	S	*	*			trans	-136.1	93.5	175.2	57.5	0	0	0	0	108	L4	S2-L4 PolarHBondContact O-N 3.42Å
3	T	27.1	Very low	29.4	Very low	149 Å²	149	138.1 Å²	138.1	91%	0.914	74%	0.735	S	S	*	*			trans	-77	83.8	166.9	41.7	0	0	0	0	107.8	G5	T3-G5 PolarHBondContact O-N 3.24Å; T3-G5 VanDerWaalsContact O-N 3.13Å
4	L	26.6	Very low	29.8	Very low	157 Å²	157	135.8 Å²	135.8	82%	0.822	72%	0.723	S	S	*	*			trans	-69.6	95.1	162.3	-94.5	142.7	0	0	0	107.5	S2 R6	S2-L4 PolarHBondContact O-N 3.42Å; L4-R6 PolarHBondContact O-N 2.9Å
5	G	27.5	Very low	30.1	Very low	72 Å²	72	139 Å²	139	74%	0.742	72%	0.721	S	S	*	*			trans	-66.3	107.8	167.2	0	0	0	0	0	109.3	T3 R7	T3-G5 PolarHBondContact O-N 3.24Å; T3-G5 VanDerWaalsContact O-N 3.13Å; G5-R7 PolarHBondContact O-N 3.41Å
6	R	23.7	Very low	30.2	Very low	247 Å²	247	140.5 Å²	140.5	93%	0.932	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-68.9	116.3	168.7	-82.3	179.9	170.4	-177	-4.9	108.5	L4	L4-R6 PolarHBondContact O-N 2.9Å
7	R	25.5	Very low	30.5	Very low	227 Å²	227	135.4 Å²	135.4	86%	0.857	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-77	130	168.7	-87.4	178.7	166.3	176.1	-5.9	108.8	G5	G5-R7 PolarHBondContact O-N 3.41Å
8	A	26.3	Very low	31.2	Very low	80 Å²	80	130.9 Å²	130.9	66%	0.661	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.3	130.6	165.1	0	0	0	0	0	109.8	V10	A8-V10 VanDerWaalsContact C-N 3.26Å; A8-V10 PolarHBondContact O-N 3.05Å
9	S	29	Very low	31.9	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	66%	0.664	S	S	*	*			trans	-78.6	72.7	175.1	44.3	0	0	0	0	110.4
10	V	29.9	Very low	32.5	Very low	79 Å²	79	122.9 Å²	122.9	48%	0.479	65%	0.648	S	S	.	*			trans	-74.8	141.6	154.2	-176.6	0	0	0	0	106.3	A8 R12	A8-V10 VanDerWaalsContact C-N 3.26Å; A8-V10 PolarHBondContact O-N 3.05Å; V10-R12 PolarHBondContact O-N 3.22Å
11	A	38.6	Very low	33.4	Very low	57 Å²	57	120 Å²	120	47%	0.471	63%	0.633	S	S	.	*			trans	-37.8	115.5	169.7	0	0	0	0	0	108.3	Y13	A11-Y13 WeakPolarHBondContact O-CD2 3.14Å; A11-Y13 PolarHBondContact O-N 2.68Å
12	R	33.3	Very low	34.8	Very low	216 Å²	216	112.9 Å²	112.9	82%	0.815	60%	0.6	S	S	*	*			trans	-66.7	86.7	-178.9	-80.9	-173	-168	170.8	6	107.2	V10 N14	V10-R12 PolarHBondContact O-N 3.22Å; R12-N14 PolarHBondContact O-N 3.14Å; R12-N14 VanDerWaalsContact O-N 3.07Å
13	Y	40.1	Very low	36.6	Very low	63 Å²	63	109.2 Å²	109.2	25%	0.247	57%	0.572	C	S	.	*			trans	-55.7	111.5	150.3	-71.1	-83	0	0	0	104.7	A11 R15 R604 E607 I650	A11-Y13 WeakPolarHBondContact O-CD2 3.14Å; A11-Y13 PolarHBondContact O-N 2.68Å; Y13-R15 PolarHBondContact O-N 3.44Å; Y13-R604 PolarHBondContact OH-O 3.12Å; Y13-E607 WeakPolarHBondContact CD2-OE2 3.37Å; Y13-E607 HydrophobicContact CE2-CB 4Å; Y13-E607 WeakPolarHBondContact CE2-OE2 3.41Å; Y13-I650 HydrophobicContact CE1-CD1 3.78Å; Y13-I650 HydrophobicContact CE1-CG1 4Å
14	N	35.1	Very low	38.5	Very low	106 Å²	106	104.9 Å²	104.9	57%	0.567	54%	0.543	S	S	*	.			trans	-62.8	84.2	168.1	-98.1	-16.3	0	0	0	106.8	R12 D16 S17	R12-N14 PolarHBondContact O-N 3.14Å; R12-N14 VanDerWaalsContact O-N 3.07Å; N14-D16 PolarHBondContact O-N 2.97Å; N14-D16 VanDerWaalsContact O-N 3.16Å; N14-S17 VanDerWaalsContact CB-OG 3.3Å; N14-S17 WeakPolarHBondContact CB-OG 3.22Å; N14-S17 PolarHBondContact O-N 2.88Å; N14-S17 PolarHBondContact O-OG 3.09Å
15	R	35.5	Very low	40.4	Very low	184 Å²	184	104.1 Å²	104.1	69%	0.694	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-53.5	-31.3	170.2	-110.6	-176.9	170.2	-171.4	-4.7	110	Y13 S17 L18	Y13-R15 PolarHBondContact O-N 3.44Å; R15-S17 PolarHBondContact O-N 3.2Å; R15-L18 HydrophobicContact CB-CD1 4.17Å; R15-L18 HydrophobicContact CG-CD1 3.66Å; R15-L18 WeakPolarHBondContact O-CB 3.45Å; R15-L18 WeakPolarHBondContact O-CD1 3.49Å; R15-L18 PolarHBondContact O-N 2.66Å; R15-L18 VanDerWaalsContact O-N 3.1Å
16	D	31.4	Very low	42.8	Very low	163 Å²	163	101.2 Å²	101.2	87%	0.872	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-74.3	-2	179.6	-57.5	-21	0	0	0	113.7	N14	N14-D16 PolarHBondContact O-N 2.97Å; N14-D16 VanDerWaalsContact O-N 3.16Å
17	S	34.8	Very low	45.5	Very low	54 Å²	54	89.6 Å²	89.6	38%	0.378	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-107.4	4.8	170.2	63.6	0	0	0	0	113.4	N14 R15 I19	N14-S17 VanDerWaalsContact CB-OG 3.3Å; N14-S17 WeakPolarHBondContact CB-OG 3.22Å; N14-S17 PolarHBondContact O-N 2.88Å; N14-S17 PolarHBondContact O-OG 3.09Å; R15-S17 PolarHBondContact O-N 3.2Å; S17-I19 PolarHBondContact O-N 2.91Å
18	L	42.9	Very low	48.2	Very low	55 Å²	55	82 Å²	82	29%	0.288	44%	0.436	S	S	.	.	S	Bend	trans	-68.2	87	172.2	-75.1	148.5	0	0	0	109.2	R15 F648	R15-L18 HydrophobicContact CB-CD1 4.17Å; R15-L18 HydrophobicContact CG-CD1 3.66Å; R15-L18 WeakPolarHBondContact O-CB 3.45Å; R15-L18 WeakPolarHBondContact O-CD1 3.49Å; R15-L18 PolarHBondContact O-N 2.66Å; R15-L18 VanDerWaalsContact O-N 3.1Å; L18-F648 HydrophobicContact CB-CE1 3.97Å; L18-F648 HydrophobicContact CB-CZ 3.98Å; L18-F648 HydrophobicContact CD2-CD1 4.23Å; L18-F648 HydrophobicContact CD2-CE1 3.25Å; L18-F648 HydrophobicContact CD2-CE2 3.88Å; L18-F648 HydrophobicContact CD2-CZ 3.06Å; L18-F648 HydrophobicContact CG-CD1 4.45Å; L18-F648 HydrophobicContact CG-CE1 3.38Å; L18-F648 HydrophobicContact CG-CZ 3.63Å
19	I	44.2	Very low	50.9	Low	51 Å²	51	82.1 Å²	82.1	26%	0.262	43%	0.43	S	S	.	.			trans	74.9	126.2	166.6	-55.9	161.6	0	0	0	112.4	S17 D21 C616	S17-I19 PolarHBondContact O-N 2.91Å; I19-D21 VanDerWaalsContact C-N 3.28Å; I19-D21 PolarHBondContact O-N 2.84Å; I19-C616 HydrophobicContact CD1-CB 3.51Å
20	S	44	Very low	53.5	Low	49 Å²	49	84.5 Å²	84.5	34%	0.343	43%	0.431	S	S	.	.			trans	-62.7	104	158.5	79.1	0	0	0	0	106.2	D22 S644	S20-D22 VanDerWaalsContact CB-OD2 3.22Å; S20-D22 WeakPolarHBondContact CB-OD2 3.5Å; S20-D22 PolarHBondContact O-N 2.87Å; S20-D22 PolarHBondContact OG-OD2 3.36Å; S20-S644 PolarHBondContact OG-OG 3.5Å
21	D	53	Low	56.1	Low	64 Å²	64	81 Å²	81	34%	0.342	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	19.5	-174.2	-131.3	6.2	0	0	0	111.8	I19 L23 I24 Q25	I19-D21 VanDerWaalsContact C-N 3.28Å; I19-D21 PolarHBondContact O-N 2.84Å; D21-L23 PolarHBondContact O-N 2.76Å; D21-I24 PolarHBondContact O-N 3.1Å; D21-I24 WeakPolarHBondContact OD1-CB 3.27Å; D21-I24 WeakPolarHBondContact OD1-CD1 3.33Å; D21-I24 WeakPolarHBondContact OD1-CG1 3.43Å; D21-Q25 HydrophobicContact CB-CG 4.36Å; D21-Q25 WeakPolarHBondContact O-CB 3.48Å; D21-Q25 WeakPolarHBondContact O-CG 3.3Å; D21-Q25 PolarHBondContact O-N 2.81Å
22	D	56.5	Low	58.4	Low	99 Å²	99	79.3 Å²	79.3	53%	0.529	39%	0.391	S	S	.	.	H	α-helix	trans	-56.9	-37.7	-172.6	-61.4	-40.3	0	0	0	110.9	S20 S26	S20-D22 VanDerWaalsContact CB-OD2 3.22Å; S20-D22 WeakPolarHBondContact CB-OD2 3.5Å; S20-D22 PolarHBondContact O-N 2.87Å; S20-D22 PolarHBondContact OG-OD2 3.36Å; D22-S26 WeakPolarHBondContact O-CB 3.4Å; D22-S26 PolarHBondContact O-N 3.29Å; D22-S26 PolarHBondContact O-OG 3.38Å
23	L	63.2	Low	61	Low	23 Å²	23	76.1 Å²	76.1	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-69.8	-41.9	176.2	-117.5	87.8	0	0	0	112.4	D21 S26 I27 L623 M624 K627 L643	D21-L23 PolarHBondContact O-N 2.76Å; L23-S26 WeakPolarHBondContact CA-OG 3.48Å; L23-S26 PolarHBondContact O-N 3.39Å; L23-S26 PolarHBondContact O-OG 2.81Å; L23-I27 PolarHBondContact O-N 3.05Å; L23-L623 HydrophobicContact CD2-CB 4.06Å; L23-M624 HydrophobicContact CD2-CG 4.33Å; L23-K627 HydrophobicContact CD2-CD 4.34Å; L23-L643 HydrophobicContact CD1-CD1 3.88Å; L23-L643 HydrophobicContact CD1-CD2 4.22Å; L23-L643 HydrophobicContact CD1-CG 4.16Å
24	I	66.9	Low	63.5	Low	58 Å²	58	75.5 Å²	75.5	30%	0.297	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-40.5	177.6	-70.2	175	0	0	0	110.2	D21 S26 I27 L623	D21-I24 PolarHBondContact O-N 3.1Å; D21-I24 WeakPolarHBondContact OD1-CB 3.27Å; D21-I24 WeakPolarHBondContact OD1-CD1 3.33Å; D21-I24 WeakPolarHBondContact OD1-CG1 3.43Å; I24-S26 PolarHBondContact O-N 3.07Å; I24-I27 VanDerWaalsContact O-CG2 3.31Å; I24-I27 WeakPolarHBondContact O-CG2 3.43Å; I24-L623 HydrophobicContact CD1-CD1 3.87Å; I24-L623 HydrophobicContact CG1-CD1 3.32Å
25	Q	67	Low	66.3	Low	141 Å²	141	71.1 Å²	71.1	66%	0.659	36%	0.359	S	S	*	.	H	α-helix	trans	-69	-25.4	177.6	-68.6	179.6	18.3	0	0	112.3	D21	D21-Q25 HydrophobicContact CB-CG 4.36Å; D21-Q25 WeakPolarHBondContact O-CB 3.48Å; D21-Q25 WeakPolarHBondContact O-CG 3.3Å; D21-Q25 PolarHBondContact O-N 2.81Å
26	S	77.4	Confident	69.2	Low	11 Å²	11	62.5 Å²	62.5	8%	0.077	33%	0.326	C	S	.	.	H	α-helix	trans	-81.8	-22.3	-179.3	69.1	0	0	0	0	114.6	D22 L23 I24 F634 T635	D22-S26 WeakPolarHBondContact O-CB 3.4Å; D22-S26 PolarHBondContact O-N 3.29Å; D22-S26 PolarHBondContact O-OG 3.38Å; L23-S26 WeakPolarHBondContact CA-OG 3.48Å; L23-S26 PolarHBondContact O-N 3.39Å; L23-S26 PolarHBondContact O-OG 2.81Å; I24-S26 PolarHBondContact O-N 3.07Å; S26-F634 CarbonylContact O-C 3.57Å; S26-F634 WeakPolarHBondContact O-CA 3.47Å; S26-F634 WeakPolarHBondContact OG-CD1 3.41Å; S26-T635 PolarHBondContact O-N 3.18Å; S26-T635 PolarHBondContact O-OG1 2.86Å
27	I	82.1	Confident	72.4	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-84.8	146.2	177.5	-170.5	163.5	0	0	0	111.3	L23 I24 P29 Y32 L623 L626 L633 F634	L23-I27 PolarHBondContact O-N 3.05Å; I24-I27 VanDerWaalsContact O-CG2 3.31Å; I24-I27 WeakPolarHBondContact O-CG2 3.43Å; I27-P29 VanDerWaalsContact O-CD 3.27Å; I27-P29 WeakPolarHBondContact O-CD 3.35Å; I27-P29 VanDerWaalsContact O-N 3.1Å; I27-Y32 HydrophobicContact CD1-CD2 3.69Å; I27-Y32 HydrophobicContact CD1-CG 4.16Å; I27-Y32 HydrophobicContact CG2-CD1 4.41Å; I27-Y32 HydrophobicContact CG2-CD2 4.37Å; I27-Y32 HydrophobicContact CG2-CG 4.02Å; I27-L623 HydrophobicContact CG2-CD2 4.25Å; I27-L626 HydrophobicContact CD1-CD1 4.2Å; I27-L633 HydrophobicContact CD1-CB 4.35Å; I27-L633 HydrophobicContact CG1-CB 4.31Å; I27-F634 HydrophobicContact CB-CD1 3.92Å; I27-F634 HydrophobicContact CB-CE1 3.75Å; I27-F634 HydrophobicContact CB-CZ 4.22Å; I27-F634 HydrophobicContact CD1-CE1 4.15Å; I27-F634 HydrophobicContact CD1-CE2 4.06Å; I27-F634 HydrophobicContact CD1-CZ 3.73Å; I27-F634 HydrophobicContact CG1-CE1 4.31Å; I27-F634 HydrophobicContact CG1-CZ 4.3Å
28	N	82	Confident	75.5	Confident	67 Å²	67	52.2 Å²	52.2	36%	0.358	27%	0.267	S	S	.	.			trans	-59	115.3	171.6	-176.8	-30	0	0	0	110.5	E30 V31 Y32 L633	N28-E30 VanDerWaalsContact C-N 3.35Å; N28-E30 PolarHBondContact O-N 3.38Å; N28-E30 PolarHBondContact OD1-N 3.44Å; N28-E30 VanDerWaalsContact OD1-N 3.09Å; N28-V31 HydrophobicContact CB-CB 4.34Å; N28-V31 HydrophobicContact CB-CG2 4.09Å; N28-V31 PolarHBondContact O-N 3.25Å; N28-Y32 WeakPolarHBondContact O-CB 3.41Å; N28-Y32 PolarHBondContact O-N 3.15Å; N28-L633 PolarHBondContact N-O 3.23Å
29	P	81.9	Confident	78.1	Confident	82 Å²	82	49.6 Å²	49.6	53%	0.532	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-33.9	-171.5	25.6	-34	0	0	0	112.9	I27 Y32 Q33	I27-P29 VanDerWaalsContact O-CD 3.27Å; I27-P29 WeakPolarHBondContact O-CD 3.35Å; I27-P29 VanDerWaalsContact O-N 3.1Å; P29-Y32 PolarHBondContact O-N 3.26Å; P29-Q33 WeakPolarHBondContact O-CB 3.4Å; P29-Q33 VanDerWaalsContact O-CG 3.27Å; P29-Q33 WeakPolarHBondContact O-CG 3.23Å; P29-Q33 PolarHBondContact O-N 3.17Å
30	E	83.2	Confident	80.7	Confident	148 Å²	148	47.1 Å²	47.1	69%	0.692	24%	0.241	S	C	*	.	H	α-helix	trans	-66.5	-40.2	179.9	-64.8	-175.7	172	0	0	111.3	N28	N28-E30 VanDerWaalsContact C-N 3.35Å; N28-E30 PolarHBondContact O-N 3.38Å; N28-E30 PolarHBondContact OD1-N 3.44Å; N28-E30 VanDerWaalsContact OD1-N 3.09Å
31	V	85.6	Confident	83.3	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-43.6	177.1	-176.2	0	0	0	0	110.5	N28 Q33 R34 P184 P187 L633	N28-V31 HydrophobicContact CB-CB 4.34Å; N28-V31 HydrophobicContact CB-CG2 4.09Å; N28-V31 PolarHBondContact O-N 3.25Å; V31-Q33 VanDerWaalsContact C-N 3.31Å; V31-Q33 PolarHBondContact O-N 2.89Å; V31-R34 PolarHBondContact O-N 3.48Å; V31-R34 VanDerWaalsContact O-N 3.1Å; V31-P184 HydrophobicContact CG2-CB 4.25Å; V31-P184 HydrophobicContact CG2-CG 3.46Å; V31-P184 VanDerWaalsContact CG2-CG 3.46Å; V31-P187 HydrophobicContact CG1-CG 3.85Å; V31-P187 WeakPolarHBondContact O-CD 3.31Å; V31-L633 HydrophobicContact CG1-CD2 4.1Å
32	Y	86.3	Confident	85.5	Confident	22 Å²	22	43.7 Å²	43.7	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-31.6	-179.3	-173.7	-114.7	0	0	0	113.2	I27 N28 P29 R34 K35 L623 L626	I27-Y32 HydrophobicContact CD1-CD2 3.69Å; I27-Y32 HydrophobicContact CD1-CG 4.16Å; I27-Y32 HydrophobicContact CG2-CD1 4.41Å; I27-Y32 HydrophobicContact CG2-CD2 4.37Å; I27-Y32 HydrophobicContact CG2-CG 4.02Å; N28-Y32 WeakPolarHBondContact O-CB 3.41Å; N28-Y32 PolarHBondContact O-N 3.15Å; P29-Y32 PolarHBondContact O-N 3.26Å; Y32-R34 VanDerWaalsContact C-N 3.27Å; Y32-R34 PolarHBondContact O-N 3.49Å; Y32-K35 HydrophobicContact CD2-CD 3.66Å; Y32-K35 HydrophobicContact CE1-CD 4.47Å; Y32-K35 HydrophobicContact CE2-CD 3.34Å; Y32-K35 VanDerWaalsContact CE2-CE 3.5Å; Y32-K35 HydrophobicContact CG-CD 4.34Å; Y32-K35 VanDerWaalsContact CZ-NZ 3.31Å; Y32-K35 WeakPolarHBondContact O-CB 3.43Å; Y32-K35 VanDerWaalsContact O-CD 3.27Å; Y32-K35 WeakPolarHBondContact O-CD 3.45Å; Y32-K35 WeakPolarHBondContact O-CG 3.45Å; Y32-K35 PolarHBondContact O-N 3.44Å; Y32-K35 PolarHBondContact O-NZ 3.34Å; Y32-K35 WeakPolarHBondContact OH-CE 3.27Å; Y32-L623 HydrophobicContact CD2-CD2 4.02Å; Y32-L623 HydrophobicContact CE1-CD2 4.19Å; Y32-L623 HydrophobicContact CE2-CD2 3.34Å; Y32-L623 HydrophobicContact CE2-CG 4.03Å; Y32-L623 VanDerWaalsContact CZ-CD2 3.44Å; Y32-L623 WeakPolarHBondContact OH-CG 3.34Å; Y32-L626 HydrophobicContact CD2-CD1 3.96Å; Y32-L626 HydrophobicContact CE2-CD1 3.89Å
33	Q	87.7	Confident	87.4	Confident	150 Å²	150	40 Å²	40	70%	0.701	20%	0.195	S	C	*	.	H	α-helix	trans	-68.7	-23.8	174.3	-76.6	177.2	12.5	0	0	113.2	P29 V31	P29-Q33 WeakPolarHBondContact O-CB 3.4Å; P29-Q33 VanDerWaalsContact O-CG 3.27Å; P29-Q33 WeakPolarHBondContact O-CG 3.23Å; P29-Q33 PolarHBondContact O-N 3.17Å; V31-Q33 VanDerWaalsContact C-N 3.31Å; V31-Q33 PolarHBondContact O-N 2.89Å
34	R	92.3	Very high	89.1	Confident	50 Å²	50	38.9 Å²	38.9	19%	0.189	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.6	179.2	-66.8	171.2	64.2	-148.7	-0.3	113.9	V31 Y32 R69 E181 T182 P184 P186	V31-R34 PolarHBondContact O-N 3.48Å; V31-R34 VanDerWaalsContact O-N 3.1Å; Y32-R34 VanDerWaalsContact C-N 3.27Å; Y32-R34 PolarHBondContact O-N 3.49Å; R34-R69 PolarHBondContact O-NH1 2.7Å; R34-E181 IonicContact CZ-OE2 3.69Å; R34-E181 IonicContact NE-OE2 3.8Å; R34-E181 IonicContact NH2-OE2 2.77Å; R34-E181 PolarHBondContact NH2-OE2 3.34Å; R34-T182 PolarHBondContact NH1-O 3.27Å; R34-T182 PolarHBondContact NH2-O 3.27Å; R34-T182 VanDerWaalsContact NH2-O 3.13Å; R34-P184 PolarHBondContact NH1-O 3.21Å; R34-P186 HydrophobicContact CB-CB 4.02Å; R34-P186 VanDerWaalsContact O-CB 3.25Å; R34-P186 WeakPolarHBondContact O-CB 3.45Å
35	K	94.6	Very high	90.5	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	18%	0.175	C	C	.	.			trans	-59.2	146.7	-175.8	72.6	-171.5	171	-75.1	0	113.6	Y32 V37 L66 R69 P187 I189	Y32-K35 HydrophobicContact CD2-CD 3.66Å; Y32-K35 HydrophobicContact CE1-CD 4.47Å; Y32-K35 HydrophobicContact CE2-CD 3.34Å; Y32-K35 VanDerWaalsContact CE2-CE 3.5Å; Y32-K35 HydrophobicContact CG-CD 4.34Å; Y32-K35 VanDerWaalsContact CZ-NZ 3.31Å; Y32-K35 WeakPolarHBondContact O-CB 3.43Å; Y32-K35 VanDerWaalsContact O-CD 3.27Å; Y32-K35 WeakPolarHBondContact O-CD 3.45Å; Y32-K35 WeakPolarHBondContact O-CG 3.45Å; Y32-K35 PolarHBondContact O-N 3.44Å; Y32-K35 PolarHBondContact O-NZ 3.34Å; Y32-K35 WeakPolarHBondContact OH-CE 3.27Å; K35-V37 HydrophobicContact CG-CG2 4.49Å; K35-L66 HydrophobicContact CD-CD2 4.46Å; K35-L66 VanDerWaalsContact CE-CD2 3.46Å; K35-L66 HydrophobicContact CG-CD2 4.45Å; K35-R69 WeakPolarHBondContact O-CB 3.25Å; K35-R69 WeakPolarHBondContact O-CD 3.41Å; K35-P187 CarbonylContact C-O 3.31Å; K35-P187 VanDerWaalsContact CA-O 3.26Å; K35-P187 WeakPolarHBondContact CA-O 3.19Å; K35-P187 HydrophobicContact CB-CB 4.26Å; K35-P187 HydrophobicContact CB-CG 4.45Å; K35-I189 HydrophobicContact CD-CD1 4.36Å
36	F	97.1	Very high	91.9	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.4	168	-71	-81.2	0	0	0	110.4	F38 R69 I71 F173 V177 P186 P187 I189	F36-F38 HydrophobicContact CB-CE2 4.13Å; F36-R69 HydrophobicContact CD1-CB 3.86Å; F36-R69 HydrophobicContact CD1-CG 4.07Å; F36-R69 HydrophobicContact CE1-CB 4.17Å; F36-R69 HydrophobicContact CE1-CG 3.88Å; F36-I71 HydrophobicContact CD1-CD1 4.3Å; F36-F173 HydrophobicContact CB-CE1 4.26Å; F36-F173 HydrophobicContact CD1-CE1 4.44Å; F36-F173 AromaticContact CD1-CZ 3.95Å; F36-F173 HydrophobicContact CD1-CZ 3.95Å; F36-F173 HydrophobicContact CD2-CE1 4.1Å; F36-F173 HydrophobicContact CD2-CZ 4.06Å; F36-F173 HydrophobicContact CE1-CZ 4.06Å; F36-F173 HydrophobicContact CE2-CZ 4.15Å; F36-F173 HydrophobicContact CG-CE1 4.02Å; F36-F173 AromaticContact CG-CZ 3.95Å; F36-F173 HydrophobicContact CG-CZ 3.95Å; F36-F173 HydrophobicContact CZ-CZ 4.14Å; F36-V177 HydrophobicContact CE2-CG2 4.33Å; F36-P186 HydrophobicContact CD2-CB 4.3Å; F36-P186 HydrophobicContact CD2-CG 4.35Å; F36-P186 HydrophobicContact CE2-CB 4.32Å; F36-P186 HydrophobicContact CE2-CG 4.12Å; F36-P187 PolarHBondContact N-O 2.87Å; F36-I189 PolarHBondContact O-N 3.3Å
37	V	98.2	Very high	92.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.3	176.7	-178.9	0	0	0	0	108.9	K35 L66 R69 Y70 I71 I189	K35-V37 HydrophobicContact CG-CG2 4.49Å; V37-L66 HydrophobicContact CB-CD1 3.89Å; V37-L66 HydrophobicContact CG1-CD1 4.24Å; V37-L66 HydrophobicContact CG2-CD1 3.79Å; V37-L66 HydrophobicContact CG2-CD2 3.95Å; V37-R69 PolarHBondContact N-O 2.9Å; V37-Y70 HydrophobicContact CB-CD2 4.27Å; V37-Y70 HydrophobicContact CG1-CD2 4.11Å; V37-Y70 HydrophobicContact CG1-CE2 4.43Å; V37-Y70 WeakPolarHBondContact O-CA 3.3Å; V37-I71 PolarHBondContact O-N 3.41Å; V37-I189 WeakPolarHBondContact CA-O 3.31Å; V37-I189 HydrophobicContact CG2-CB 4.43Å; V37-I189 HydrophobicContact CG2-CD1 4.34Å
38	F	98.7	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.5	171	-64	-76.3	0	0	0	108.8	F36 I71 F73 L95 F169 L170 F173 I188 I189 A190 H191	F36-F38 HydrophobicContact CB-CE2 4.13Å; F38-I71 CarbonylContact C-O 3.57Å; F38-I71 VanDerWaalsContact CA-O 3.29Å; F38-I71 WeakPolarHBondContact CA-O 3.47Å; F38-I71 HydrophobicContact CD1-CB 3.81Å; F38-I71 HydrophobicContact CD1-CD1 4.37Å; F38-I71 HydrophobicContact CD1-CG2 4.2Å; F38-I71 HydrophobicContact CE1-CB 3.9Å; F38-I71 HydrophobicContact CE1-CD1 3.87Å; F38-I71 HydrophobicContact CE1-CG1 4.21Å; F38-I71 HydrophobicContact CE1-CG2 4.24Å; F38-I71 HydrophobicContact CZ-CD1 4.33Å; F38-F73 HydrophobicContact CB-CE2 4.21Å; F38-F73 HydrophobicContact CB-CZ 4.35Å; F38-F73 HydrophobicContact CD1-CD1 4.33Å; F38-F73 AromaticContact CD1-CE1 3.45Å; F38-F73 HydrophobicContact CD1-CE1 3.45Å; F38-F73 VanDerWaalsContact CD1-CE1 3.45Å; F38-F73 AromaticContact CD1-CE2 3.83Å; F38-F73 HydrophobicContact CD1-CE2 3.83Å; F38-F73 AromaticContact CD1-CZ 3.14Å; F38-F73 HydrophobicContact CD1-CZ 3.14Å; F38-F73 AromaticContact CE1-CE1 3.86Å; F38-F73 HydrophobicContact CE1-CE1 3.86Å; F38-F73 AromaticContact CE1-CZ 3.54Å; F38-F73 HydrophobicContact CE1-CZ 3.54Å; F38-F73 HydrophobicContact CG-CE1 4.49Å; F38-F73 HydrophobicContact CG-CE2 4.17Å; F38-F73 AromaticContact CG-CZ 3.91Å; F38-F73 HydrophobicContact CG-CZ 3.91Å; F38-L95 HydrophobicContact CE1-CD2 4.18Å; F38-L95 HydrophobicContact CZ-CD2 4.38Å; F38-F169 HydrophobicContact CE1-CE1 4.11Å; F38-F169 HydrophobicContact CZ-CE1 4.44Å; F38-L170 HydrophobicContact CB-CD2 4.25Å; F38-L170 HydrophobicContact CD2-CD2 3.61Å; F38-L170 HydrophobicContact CE2-CD2 4.1Å; F38-L170 HydrophobicContact CG-CD2 3.92Å; F38-F173 AromaticContact CE2-CD1 3.54Å; F38-F173 HydrophobicContact CE2-CD1 3.54Å; F38-F173 AromaticContact CE2-CE1 3.5Å; F38-F173 HydrophobicContact CE2-CE1 3.5Å; F38-F173 VanDerWaalsContact CE2-CE1 3.5Å; F38-F173 HydrophobicContact CE2-CG 4.36Å; F38-F173 HydrophobicContact CE2-CZ 4.29Å; F38-F173 AromaticContact CZ-CD1 3.46Å; F38-F173 HydrophobicContact CZ-CD1 3.46Å; F38-F173 VanDerWaalsContact CZ-CD1 3.46Å; F38-F173 HydrophobicContact CZ-CD2 4.24Å; F38-F173 AromaticContact CZ-CE1 3.39Å; F38-F173 HydrophobicContact CZ-CE1 3.39Å; F38-F173 HydrophobicContact CZ-CE2 4.19Å; F38-F173 AromaticContact CZ-CG 3.9Å; F38-F173 HydrophobicContact CZ-CG 3.9Å; F38-F173 AromaticContact CZ-CZ 3.77Å; F38-F173 HydrophobicContact CZ-CZ 3.77Å; F38-I188 HydrophobicContact CD2-CG2 3.81Å; F38-I188 HydrophobicContact CE2-CG2 3.73Å; F38-I189 PolarHBondContact N-O 3.21Å; F38-A190 CarbonylContact O-C 3.58Å; F38-A190 VanDerWaalsContact O-CA 3.3Å; F38-A190 WeakPolarHBondContact O-CA 3.33Å; F38-H191 PolarHBondContact O-N 3.23Å
39	E	98.7	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.8	176.9	-173.3	169.9	155.8	0	0	109.9	I55 K58 Y70 I71 L72 F73 H191 H193	E39-I55 HydrophobicContact CG-CD1 4.3Å; E39-I55 WeakPolarHBondContact OE1-CD1 3.29Å; E39-K58 WeakPolarHBondContact OE1-CE 3.32Å; E39-K58 IonicContact OE1-NZ 2.86Å; E39-K58 PolarHBondContact OE1-NZ 3.37Å; E39-K58 IonicContact OE2-NZ 2.72Å; E39-K58 PolarHBondContact OE2-NZ 3.27Å; E39-Y70 HydrophobicContact CB-CE2 3.77Å; E39-Y70 VanDerWaalsContact OE2-CE2 3.27Å; E39-Y70 WeakPolarHBondContact OE2-CE2 3.35Å; E39-Y70 PolarHBondContact OE2-OH 3.34Å; E39-I71 PolarHBondContact N-O 3.02Å; E39-L72 HydrophobicContact CB-CD2 3.83Å; E39-L72 HydrophobicContact CG-CD2 4.13Å; E39-L72 CarbonylContact O-C 3.44Å; E39-L72 VanDerWaalsContact O-CA 3.29Å; E39-L72 WeakPolarHBondContact O-CA 3.34Å; E39-F73 PolarHBondContact O-N 3.46Å; E39-H191 CarbonylContact C-O 3.51Å; E39-H191 WeakPolarHBondContact CA-O 3.27Å; E39-H191 HydrophobicContact CG-CB 4.32Å; E39-H193 IonicContact OE1-CD2 3.57Å; E39-H193 IonicContact OE1-CE1 3.26Å; E39-H193 IonicContact OE1-NE2 2.92Å; E39-H193 PolarHBondContact OE1-NE2 3.39Å; E39-H193 VanDerWaalsContact OE1-NE2 3.1Å
40	V	98.8	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.1	-163.9	-171.8	0	0	0	0	108.6	F73 F162 I166 H191 F192 H193 T197	V40-F73 HydrophobicContact CB-CB 4.31Å; V40-F73 HydrophobicContact CG1-CB 4.08Å; V40-F73 HydrophobicContact CG2-CB 4.06Å; V40-F73 HydrophobicContact CG2-CD2 3.86Å; V40-F73 HydrophobicContact CG2-CG 4.31Å; V40-F162 HydrophobicContact CG1-CE1 4.17Å; V40-F162 HydrophobicContact CG1-CZ 4.16Å; V40-I166 HydrophobicContact CG1-CD1 3.35Å; V40-I166 HydrophobicContact CG1-CG1 4.15Å; V40-I166 HydrophobicContact CG2-CG2 4.35Å; V40-H191 PolarHBondContact N-O 3.34Å; V40-F192 HydrophobicContact CB-CD1 3.83Å; V40-F192 HydrophobicContact CB-CE1 4.2Å; V40-F192 HydrophobicContact CB-CG 4.41Å; V40-F192 HydrophobicContact CG1-CD1 3.97Å; V40-F192 HydrophobicContact CG1-CE1 4.2Å; V40-F192 HydrophobicContact CG2-CD1 4.04Å; V40-F192 HydrophobicContact CG2-CE1 3.96Å; V40-F192 HydrophobicContact CG2-CZ 4.45Å; V40-H193 PolarHBondContact O-N 2.95Å; V40-T197 HydrophobicContact CG1-CG2 4.04Å
41	A	98.5	Very high	93.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.1	172.4	0	0	0	0	0	110.7	E43 V44 I51 I55 F73 H193	A41-E43 PolarHBondContact O-N 2.99Å; A41-E43 VanDerWaalsContact O-N 3.16Å; A41-V44 HydrophobicContact CB-CG2 4.03Å; A41-V44 PolarHBondContact O-N 3.47Å; A41-I51 HydrophobicContact CB-CG2 4.06Å; A41-I55 HydrophobicContact CB-CD1 4.37Å; A41-I55 HydrophobicContact CB-CG1 4.21Å; A41-F73 PolarHBondContact N-O 3.35Å; A41-F73 VanDerWaalsContact N-O 3.14Å; A41-F73 VanDerWaalsContact O-O 3.09Å; A41-H193 HydrophobicContact CB-CB 3.88Å
42	W	98	Very high	94.3	Very high	40 Å²	40	31.2 Å²	31.2	15%	0.152	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.2	173.3	-171	-100.8	0	0	0	113.1	N46 P75 I127 D158 F162 L196	W42-N46 PolarHBondContact O-ND2 3.3Å; W42-P75 HydrophobicContact CD2-CG 3.88Å; W42-P75 HydrophobicContact CE3-CB 4.35Å; W42-P75 HydrophobicContact CE3-CG 3.94Å; W42-P75 HydrophobicContact CG-CG 4.4Å; W42-P75 HydrophobicContact CH2-CB 4.12Å; W42-P75 HydrophobicContact CH2-CG 4.28Å; W42-P75 HydrophobicContact CZ2-CB 4.45Å; W42-P75 HydrophobicContact CZ2-CG 4.25Å; W42-P75 HydrophobicContact CZ3-CB 4.08Å; W42-P75 HydrophobicContact CZ3-CG 4.15Å; W42-P75 VanDerWaalsContact O-CD 3.27Å; W42-P75 WeakPolarHBondContact O-CD 3.39Å; W42-P75 WeakPolarHBondContact O-CG 3.22Å; W42-I127 HydrophobicContact CH2-CD1 3.34Å; W42-I127 HydrophobicContact CZ2-CD1 4.44Å; W42-I127 HydrophobicContact CZ3-CD1 3.69Å; W42-D158 HydrophobicContact CH2-CB 3.77Å; W42-F162 AromaticContact CE3-CD1 3.74Å; W42-F162 HydrophobicContact CE3-CD1 3.74Å; W42-F162 HydrophobicContact CE3-CE1 4.15Å; W42-F162 HydrophobicContact CE3-CG 4.3Å; W42-F162 HydrophobicContact CZ3-CB 3.93Å; W42-F162 AromaticContact CZ3-CD1 3.89Å; W42-F162 HydrophobicContact CZ3-CD1 3.89Å; W42-F162 HydrophobicContact CZ3-CG 4.01Å; W42-L196 HydrophobicContact CB-CB 4.05Å; W42-L196 HydrophobicContact CB-CD1 3.89Å; W42-L196 HydrophobicContact CD2-CB 4.48Å; W42-L196 HydrophobicContact CD2-CD1 4.19Å; W42-L196 HydrophobicContact CE3-CB 4.46Å; W42-L196 HydrophobicContact CG-CB 4.32Å; W42-L196 HydrophobicContact CG-CD1 3.68Å
43	E	97.6	Very high	94.5	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6	-174.7	-60.4	-167.6	-139.8	0	0	114.3	A41 V45 N46 V48 G49 I51 Y52	A41-E43 PolarHBondContact O-N 2.99Å; A41-E43 VanDerWaalsContact O-N 3.16Å; E43-V45 PolarHBondContact O-N 3.5Å; E43-N46 CarbonylContact C-O 3.45Å; E43-N46 WeakPolarHBondContact CA-O 3.38Å; E43-N46 WeakPolarHBondContact CB-O 3.41Å; E43-N46 PolarHBondContact O-N 3.42Å; E43-V48 HydrophobicContact CG-CB 4.06Å; E43-V48 HydrophobicContact CG-CG2 4.45Å; E43-G49 VanDerWaalsContact CD-N 3.33Å; E43-G49 VanDerWaalsContact OE2-CA 3.3Å; E43-G49 WeakPolarHBondContact OE2-CA 3.28Å; E43-G49 PolarHBondContact OE2-N 2.9Å; E43-I51 HydrophobicContact CB-CB 4.25Å; E43-I51 HydrophobicContact CB-CG2 4.47Å; E43-I51 HydrophobicContact CG-CB 4.15Å; E43-I51 WeakPolarHBondContact OE1-CB 3.02Å; E43-I51 PolarHBondContact OE2-N 3.33Å; E43-Y52 WeakPolarHBondContact O-CD2 3.47Å; E43-Y52 WeakPolarHBondContact OE2-CB 3.36Å; E43-Y52 PolarHBondContact OE2-N 2.79Å
44	V	98.3	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	117.2	172	169.7	0	0	0	0	109.2	A41 N46 I55 L72 F73 V122 L124	A41-V44 HydrophobicContact CB-CG2 4.03Å; A41-V44 PolarHBondContact O-N 3.47Å; V44-N46 PolarHBondContact O-N 2.77Å; V44-N46 VanDerWaalsContact O-N 3.16Å; V44-I55 HydrophobicContact CG2-CG2 4.28Å; V44-L72 HydrophobicContact CG1-CB 3.87Å; V44-L72 HydrophobicContact CG2-CB 4.23Å; V44-L72 HydrophobicContact CG2-CD2 4.02Å; V44-F73 VanDerWaalsContact CG2-O 3.31Å; V44-F73 WeakPolarHBondContact CG2-O 3.49Å; V44-V122 HydrophobicContact CG1-CG1 4.06Å; V44-L124 HydrophobicContact CG1-CD2 4.22Å
45	V	97.3	Very high	95.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	29.4	-174.4	-162.2	0	0	0	0	112.3	E43 C80 E84 V85 W114 V122 L124	E43-V45 PolarHBondContact O-N 3.5Å; V45-C80 HydrophobicContact CG1-CB 4.25Å; V45-C80 WeakPolarHBondContact O-CB 3.4Å; V45-E84 HydrophobicContact CG1-CB 4Å; V45-V85 HydrophobicContact CB-CG2 4.25Å; V45-V85 HydrophobicContact CG1-CG2 3.37Å; V45-V85 HydrophobicContact CG2-CG2 3.81Å; V45-W114 HydrophobicContact CG2-CD2 3.89Å; V45-W114 HydrophobicContact CG2-CE3 4.36Å; V45-W114 HydrophobicContact CG2-CG 4Å; V45-V122 HydrophobicContact CG2-CG1 4.09Å; V45-L124 HydrophobicContact CB-CD1 4.24Å; V45-L124 HydrophobicContact CB-CD2 4.16Å; V45-L124 HydrophobicContact CG1-CD1 4.3Å; V45-L124 HydrophobicContact CG2-CD1 4.35Å; V45-L124 HydrophobicContact CG2-CD2 4.07Å
46	N	95.4	Very high	95.1	Very high	21 Å²	21	27.4 Å²	27.4	11%	0.112	15%	0.146	C	C	.	.			trans	-150.5	85.2	-177.2	-175.2	38.5	0	0	0	109.7	W42 E43 V44 V48 N77	W42-N46 PolarHBondContact O-ND2 3.3Å; E43-N46 CarbonylContact C-O 3.45Å; E43-N46 WeakPolarHBondContact CA-O 3.38Å; E43-N46 WeakPolarHBondContact CB-O 3.41Å; E43-N46 PolarHBondContact O-N 3.42Å; V44-N46 PolarHBondContact O-N 2.77Å; V44-N46 VanDerWaalsContact O-N 3.16Å; N46-V48 PolarHBondContact O-N 3.13Å; N46-N77 PolarHBondContact OD1-ND2 3.34Å
47	K	91.7	Very high	94.9	Very high	141 Å²	141	28.5 Å²	28.5	61%	0.613	15%	0.153	S	C	*	.			trans	-69.8	102.5	-175.3	-172.4	177.6	179.5	-176.4	0	111.4	Y52	K47-Y52 VanDerWaalsContact CA-CD2 3.49Å; K47-Y52 HydrophobicContact CB-CD1 4.17Å; K47-Y52 HydrophobicContact CB-CD2 3.6Å; K47-Y52 HydrophobicContact CB-CE1 4.36Å; K47-Y52 HydrophobicContact CB-CE2 3.78Å; K47-Y52 HydrophobicContact CB-CG 3.8Å; K47-Y52 HydrophobicContact CD-CD1 4.03Å; K47-Y52 HydrophobicContact CD-CE1 4.06Å; K47-Y52 HydrophobicContact CD-CG 4.47Å; K47-Y52 HydrophobicContact CG-CD1 3.82Å; K47-Y52 HydrophobicContact CG-CD2 4.12Å; K47-Y52 HydrophobicContact CG-CE1 4.23Å; K47-Y52 HydrophobicContact CG-CE2 4.48Å; K47-Y52 HydrophobicContact CG-CG 3.77Å
48	V	88.1	Confident	94.8	Very high	100 Å²	100	28.7 Å²	28.7	61%	0.606	15%	0.154	S	C	*	.	S	Bend	trans	-111	-38.4	174.9	-178.2	0	0	0	0	111.2	E43 N46	E43-V48 HydrophobicContact CG-CB 4.06Å; E43-V48 HydrophobicContact CG-CG2 4.45Å; N46-V48 PolarHBondContact O-N 3.13Å
49	G	85.8	Confident	94.7	Very high	28 Å²	28	28.7 Å²	28.7	29%	0.289	15%	0.154	S	C	.	.	S	Bend	trans	-156.1	-147.5	-172.1	0	0	0	0	0	113.3	E43	E43-G49 VanDerWaalsContact CD-N 3.33Å; E43-G49 VanDerWaalsContact OE2-CA 3.3Å; E43-G49 WeakPolarHBondContact OE2-CA 3.28Å; E43-G49 PolarHBondContact OE2-N 2.9Å
50	G	86.9	Confident	94.5	Very high	33 Å²	33	29.6 Å²	29.6	34%	0.34	16%	0.161	S	C	.	.	H	α-helix	trans	-79.5	-21.6	-175.8	0	0	0	0	0	113.8	Y52 T53 V54	G50-Y52 VanDerWaalsContact C-N 3.28Å; G50-Y52 PolarHBondContact O-N 2.94Å; G50-T53 WeakPolarHBondContact O-CB 3.26Å; G50-T53 PolarHBondContact O-N 3.4Å; G50-V54 PolarHBondContact O-N 3.35Å; G50-V54 VanDerWaalsContact O-N 3.15Å
51	I	94.7	Very high	94.3	Very high	20 Å²	20	30.1 Å²	30.1	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-36.6	-178.9	-55.4	175.3	0	0	0	109.4	A41 E43 T53 V54 I55 H193 E194 H218	A41-I51 HydrophobicContact CB-CG2 4.06Å; E43-I51 HydrophobicContact CB-CB 4.25Å; E43-I51 HydrophobicContact CB-CG2 4.47Å; E43-I51 HydrophobicContact CG-CB 4.15Å; E43-I51 WeakPolarHBondContact OE1-CB 3.02Å; E43-I51 PolarHBondContact OE2-N 3.33Å; I51-T53 PolarHBondContact O-N 3.14Å; I51-V54 WeakPolarHBondContact O-CB 3.29Å; I51-V54 PolarHBondContact O-N 3.31Å; I51-V54 VanDerWaalsContact O-N 3.1Å; I51-I55 HydrophobicContact CG2-CD1 4.48Å; I51-I55 HydrophobicContact CG2-CG1 3.96Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.23Å; I51-H193 HydrophobicContact CG2-CB 4.32Å; I51-E194 HydrophobicContact CD1-CB 3.73Å; I51-E194 HydrophobicContact CD1-CG 4.07Å; I51-H218 HydrophobicContact CD1-CB 4.5Å; I51-H218 HydrophobicContact CG1-CB 4.42Å
52	Y	95	Very high	94.1	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-49	-48.2	169.6	177.9	-88.1	0	0	0	111.5	E43 K47 G50 R56 E84 W114	E43-Y52 WeakPolarHBondContact O-CD2 3.47Å; E43-Y52 WeakPolarHBondContact OE2-CB 3.36Å; E43-Y52 PolarHBondContact OE2-N 2.79Å; K47-Y52 VanDerWaalsContact CA-CD2 3.49Å; K47-Y52 HydrophobicContact CB-CD1 4.17Å; K47-Y52 HydrophobicContact CB-CD2 3.6Å; K47-Y52 HydrophobicContact CB-CE1 4.36Å; K47-Y52 HydrophobicContact CB-CE2 3.78Å; K47-Y52 HydrophobicContact CB-CG 3.8Å; K47-Y52 HydrophobicContact CD-CD1 4.03Å; K47-Y52 HydrophobicContact CD-CE1 4.06Å; K47-Y52 HydrophobicContact CD-CG 4.47Å; K47-Y52 HydrophobicContact CG-CD1 3.82Å; K47-Y52 HydrophobicContact CG-CD2 4.12Å; K47-Y52 HydrophobicContact CG-CE1 4.23Å; K47-Y52 HydrophobicContact CG-CE2 4.48Å; K47-Y52 HydrophobicContact CG-CG 3.77Å; G50-Y52 VanDerWaalsContact C-N 3.28Å; G50-Y52 PolarHBondContact O-N 2.94Å; Y52-R56 HydrophobicContact CE1-CB 4.42Å; Y52-R56 VanDerWaalsContact CE1-CD 3.48Å; Y52-R56 WeakPolarHBondContact O-CB 3.32Å; Y52-R56 PolarHBondContact O-N 3.08Å; Y52-E84 PolarHBondContact OH-OE2 3.08Å; Y52-W114 HydrophobicContact CD2-CH2 4.23Å; Y52-W114 HydrophobicContact CD2-CZ2 4.04Å; Y52-W114 HydrophobicContact CE2-CH2 4.1Å; Y52-W114 AromaticContact CE2-CZ2 3.45Å; Y52-W114 HydrophobicContact CE2-CZ2 3.45Å; Y52-W114 VanDerWaalsContact CE2-CZ2 3.45Å; Y52-W114 AromaticContact CZ-CZ2 3.82Å
53	T	91.6	Very high	94.1	Very high	42 Å²	42	29.7 Å²	29.7	26%	0.258	17%	0.167	S	C	.	.	H	α-helix	trans	-65.2	-40.9	-179.8	-56.9	0	0	0	0	112	G50 I51 T57	G50-T53 WeakPolarHBondContact O-CB 3.26Å; G50-T53 PolarHBondContact O-N 3.4Å; I51-T53 PolarHBondContact O-N 3.14Å; T53-T57 HydrophobicContact CG2-CG2 4.25Å; T53-T57 WeakPolarHBondContact O-CB 3.28Å; T53-T57 WeakPolarHBondContact O-CG2 3.46Å; T53-T57 PolarHBondContact O-N 3.05Å; T53-T57 PolarHBondContact O-OG1 2.91Å
54	V	94.9	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-57	175.9	178.4	0	0	0	0	110.8	G50 I51 R56 T57 K58 N293 Y527 W611	G50-V54 PolarHBondContact O-N 3.35Å; G50-V54 VanDerWaalsContact O-N 3.15Å; I51-V54 WeakPolarHBondContact O-CB 3.29Å; I51-V54 PolarHBondContact O-N 3.31Å; I51-V54 VanDerWaalsContact O-N 3.1Å; V54-R56 VanDerWaalsContact C-N 3.31Å; V54-R56 PolarHBondContact O-N 2.92Å; V54-T57 PolarHBondContact O-N 3.5Å; V54-T57 PolarHBondContact O-OG1 3.12Å; V54-K58 WeakPolarHBondContact O-CB 2.88Å; V54-K58 PolarHBondContact O-N 3.19Å; V54-N293 HydrophobicContact CG2-CB 4.29Å; V54-N293 WeakPolarHBondContact CG2-OD1 3.32Å; V54-Y527 HydrophobicContact CG2-CE1 4.21Å; V54-Y527 WeakPolarHBondContact CG2-OH 3.21Å; V54-W611 HydrophobicContact CG1-CH2 4.1Å; V54-W611 HydrophobicContact CG1-CZ2 3.97Å
55	I	96.5	Very high	93.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-44.3	-174.6	-56.2	-63.4	0	0	0	109.6	E39 A41 V44 I51 A59 L72 W114	E39-I55 HydrophobicContact CG-CD1 4.3Å; E39-I55 WeakPolarHBondContact OE1-CD1 3.29Å; A41-I55 HydrophobicContact CB-CD1 4.37Å; A41-I55 HydrophobicContact CB-CG1 4.21Å; V44-I55 HydrophobicContact CG2-CG2 4.28Å; I51-I55 HydrophobicContact CG2-CD1 4.48Å; I51-I55 HydrophobicContact CG2-CG1 3.96Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.23Å; I55-A59 WeakPolarHBondContact O-CB 3.32Å; I55-A59 PolarHBondContact O-N 3.46Å; I55-A59 VanDerWaalsContact O-N 3.08Å; I55-L72 HydrophobicContact CG2-CD1 3.98Å; I55-L72 HydrophobicContact CG2-CD2 3.46Å; I55-L72 VanDerWaalsContact CG2-CD2 3.46Å; I55-L72 HydrophobicContact CG2-CG 4.4Å; I55-W114 HydrophobicContact CG2-CZ3 3.89Å
56	R	95.5	Very high	93.5	Very high	114 Å²	114	39.5 Å²	39.5	43%	0.43	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-48	179.8	177.7	172.6	-179.1	-149.8	2.1	112.6	Y52 V54 A59 W114 I116	Y52-R56 HydrophobicContact CE1-CB 4.42Å; Y52-R56 VanDerWaalsContact CE1-CD 3.48Å; Y52-R56 WeakPolarHBondContact O-CB 3.32Å; Y52-R56 PolarHBondContact O-N 3.08Å; V54-R56 VanDerWaalsContact C-N 3.31Å; V54-R56 PolarHBondContact O-N 2.92Å; R56-A59 WeakPolarHBondContact O-CB 3.3Å; R56-W114 HydrophobicContact CB-CH2 3.99Å; R56-W114 HydrophobicContact CB-CZ2 4.28Å; R56-I116 HydrophobicContact CB-CD1 4.3Å; R56-I116 HydrophobicContact CG-CB 4.25Å; R56-I116 HydrophobicContact CG-CD1 3.95Å; R56-I116 HydrophobicContact CG-CG2 3.92Å
57	T	93.2	Very high	93.5	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.153	22%	0.222	C	C	.	.	H	α-helix	trans	-74.2	-38.1	-177.4	54.4	0	0	0	0	111.5	T53 V54 A59 N296 W611	T53-T57 HydrophobicContact CG2-CG2 4.25Å; T53-T57 WeakPolarHBondContact O-CB 3.28Å; T53-T57 WeakPolarHBondContact O-CG2 3.46Å; T53-T57 PolarHBondContact O-N 3.05Å; T53-T57 PolarHBondContact O-OG1 2.91Å; V54-T57 PolarHBondContact O-N 3.5Å; V54-T57 PolarHBondContact O-OG1 3.12Å; T57-A59 VanDerWaalsContact C-N 3.26Å; T57-A59 PolarHBondContact O-N 3.18Å; T57-N296 PolarHBondContact O-ND2 2.86Å; T57-N296 PolarHBondContact O-OD1 3.45Å; T57-W611 PolarHBondContact OG1-NE1 2.76Å
58	K	96	Very high	93.6	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-23.2	178	-169.5	173.4	58.5	64	0	113.7	E39 V54 A60 S61 A62 Y70 W611 Y618	E39-K58 WeakPolarHBondContact OE1-CE 3.32Å; E39-K58 IonicContact OE1-NZ 2.86Å; E39-K58 PolarHBondContact OE1-NZ 3.37Å; E39-K58 IonicContact OE2-NZ 2.72Å; E39-K58 PolarHBondContact OE2-NZ 3.27Å; V54-K58 WeakPolarHBondContact O-CB 2.88Å; V54-K58 PolarHBondContact O-N 3.19Å; K58-A60 VanDerWaalsContact C-N 3.27Å; K58-A60 PolarHBondContact O-N 3.35Å; K58-S61 PolarHBondContact O-N 3.21Å; K58-A62 PolarHBondContact O-N 2.91Å; K58-Y70 PolarHBondContact NZ-OH 2.86Å; K58-W611 HydrophobicContact CB-CD2 3.92Å; K58-W611 HydrophobicContact CB-CE3 4.32Å; K58-W611 HydrophobicContact CB-CG 4.45Å; K58-W611 HydrophobicContact CB-CH2 4.19Å; K58-W611 HydrophobicContact CB-CZ2 3.75Å; K58-W611 HydrophobicContact CB-CZ3 4.46Å; K58-W611 HydrophobicContact CD-CE3 4.09Å; K58-W611 HydrophobicContact CD-CH2 3.75Å; K58-W611 HydrophobicContact CD-CZ2 4.2Å; K58-W611 HydrophobicContact CD-CZ3 3.69Å; K58-W611 HydrophobicContact CG-CD2 3.94Å; K58-W611 HydrophobicContact CG-CE3 3.88Å; K58-W611 HydrophobicContact CG-CH2 4.15Å; K58-W611 HydrophobicContact CG-CZ2 4.2Å; K58-W611 HydrophobicContact CG-CZ3 4Å; K58-Y618 HydrophobicContact CD-CD1 4Å; K58-Y618 HydrophobicContact CD-CD2 3.87Å; K58-Y618 HydrophobicContact CD-CE1 3.87Å; K58-Y618 HydrophobicContact CD-CE2 3.75Å; K58-Y618 HydrophobicContact CD-CG 4Å; K58-Y618 VanDerWaalsContact CE-CE1 3.47Å
59	A	96.3	Very high	93.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-52.8	-41.6	-173.3	0	0	0	0	0	113.3	I55 R56 T57 A62 V63 I116 P120	I55-A59 WeakPolarHBondContact O-CB 3.32Å; I55-A59 PolarHBondContact O-N 3.46Å; I55-A59 VanDerWaalsContact O-N 3.08Å; R56-A59 WeakPolarHBondContact O-CB 3.3Å; T57-A59 VanDerWaalsContact C-N 3.26Å; T57-A59 PolarHBondContact O-N 3.18Å; A59-A62 PolarHBondContact O-N 3.22Å; A59-V63 WeakPolarHBondContact O-CG2 3.17Å; A59-V63 PolarHBondContact O-N 2.82Å; A59-I116 HydrophobicContact CB-CD1 3.65Å; A59-P120 HydrophobicContact CB-CG 4.01Å
60	A	94.7	Very high	94.5	Very high	19 Å²	19	34.4 Å²	34.4	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-51.8	179.2	0	0	0	0	0	112.2	K58 A62 V63 E64 E117	K58-A60 VanDerWaalsContact C-N 3.27Å; K58-A60 PolarHBondContact O-N 3.35Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 3.47Å; A60-V63 PolarHBondContact O-N 3.45Å; A60-E64 WeakPolarHBondContact O-CB 3.32Å; A60-E64 PolarHBondContact O-N 3.44Å; A60-E117 HydrophobicContact CB-CB 4.37Å; A60-E117 HydrophobicContact CB-CG 3.92Å
61	S	94.1	Very high	95.1	Very high	12 Å²	12	32.9 Å²	32.9	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-34.2	177.7	-58.1	0	0	0	0	112.6	K58 E65 W611	K58-S61 PolarHBondContact O-N 3.21Å; S61-E65 PolarHBondContact O-N 3.1Å; S61-W611 VanDerWaalsContact OG-CB 3.31Å; S61-W611 WeakPolarHBondContact OG-CB 3.44Å
62	A	95.4	Very high	95.3	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-67.4	-41.5	176.1	0	0	0	0	0	112.2	K58 A59 A60 E65 L66 Y70	K58-A62 PolarHBondContact O-N 2.91Å; A59-A62 PolarHBondContact O-N 3.22Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 3.47Å; A62-E65 PolarHBondContact O-N 3.11Å; A62-L66 VanDerWaalsContact O-CB 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 WeakPolarHBondContact O-CG 3.38Å; A62-L66 PolarHBondContact O-N 3.32Å; A62-Y70 HydrophobicContact CB-CD1 4.03Å; A62-Y70 HydrophobicContact CB-CD2 4.35Å; A62-Y70 HydrophobicContact CB-CE1 3.66Å; A62-Y70 HydrophobicContact CB-CE2 4.01Å; A62-Y70 HydrophobicContact CB-CG 4.34Å
63	V	96.4	Very high	95.4	Very high	27 Å²	27	31.3 Å²	31.3	16%	0.164	16%	0.161	C	C	.	.	H	α-helix	trans	-71.1	-35.3	176.7	175	0	0	0	0	111.5	A59 A60 E65 L66 G67 Y70 G118 P120	A59-V63 WeakPolarHBondContact O-CG2 3.17Å; A59-V63 PolarHBondContact O-N 2.82Å; A60-V63 PolarHBondContact O-N 3.45Å; V63-E65 PolarHBondContact O-N 2.87Å; V63-L66 PolarHBondContact O-N 3.37Å; V63-G67 VanDerWaalsContact O-CA 3.26Å; V63-G67 WeakPolarHBondContact O-CA 3.41Å; V63-G67 PolarHBondContact O-N 3.41Å; V63-Y70 HydrophobicContact CG2-CD1 3.9Å; V63-G118 WeakPolarHBondContact CG1-O 3.44Å; V63-P120 HydrophobicContact CG2-CB 3.77Å
64	E	94.3	Very high	95.8	Very high	155 Å²	155	29.3 Å²	29.3	72%	0.724	15%	0.149	S	C	*	.	H	α-helix	trans	-57.6	-38.4	173.2	-173.7	175.9	-169	0	0	111.7	A60	A60-E64 WeakPolarHBondContact O-CB 3.32Å; A60-E64 PolarHBondContact O-N 3.44Å
65	E	92.1	Very high	95.9	Very high	55 Å²	55	29.7 Å²	29.7	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-78.2	-44.2	176.8	-179.1	-161.8	150.8	0	0	113.6	S61 A62 V63 Q619 R622	S61-E65 PolarHBondContact O-N 3.1Å; A62-E65 PolarHBondContact O-N 3.11Å; V63-E65 PolarHBondContact O-N 2.87Å; E65-Q619 VanDerWaalsContact CD-CG 3.49Å; E65-Q619 VanDerWaalsContact CD-NE2 3.28Å; E65-Q619 WeakPolarHBondContact OE2-CG 3.26Å; E65-Q619 PolarHBondContact OE2-NE2 3.34Å; E65-R622 IonicContact OE1-CZ 2.64Å; E65-R622 IonicContact OE1-NH2 2.71Å; E65-R622 PolarHBondContact OE1-NH2 3.42Å; E65-R622 IonicContact OE2-CZ 2.71Å; E65-R622 IonicContact OE2-NH2 2.82Å; E65-R622 PolarHBondContact OE2-NH2 2.91Å
66	L	94.8	Very high	95.9	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.089	16%	0.157	C	C	.	.	H	α-helix	trans	-111.8	-14.3	-162.2	-61.6	169.2	0	0	0	114	K35 V37 A62 V63 D68 R69 Y70	K35-L66 HydrophobicContact CD-CD2 4.46Å; K35-L66 VanDerWaalsContact CE-CD2 3.46Å; K35-L66 HydrophobicContact CG-CD2 4.45Å; V37-L66 HydrophobicContact CB-CD1 3.89Å; V37-L66 HydrophobicContact CG1-CD1 4.24Å; V37-L66 HydrophobicContact CG2-CD1 3.79Å; V37-L66 HydrophobicContact CG2-CD2 3.95Å; A62-L66 VanDerWaalsContact O-CB 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 WeakPolarHBondContact O-CG 3.38Å; A62-L66 PolarHBondContact O-N 3.32Å; V63-L66 PolarHBondContact O-N 3.37Å; L66-D68 PolarHBondContact O-N 2.87Å; L66-R69 PolarHBondContact O-N 2.9Å; L66-Y70 HydrophobicContact CD1-CD2 3.72Å; L66-Y70 HydrophobicContact CD1-CG 4.11Å
67	G	94.9	Very high	95.9	Very high	28 Å²	28	27.7 Å²	27.7	29%	0.289	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	52.7	-135.9	-175.8	0	0	0	0	0	112.8	V63 R69 Y70	V63-G67 VanDerWaalsContact O-CA 3.26Å; V63-G67 WeakPolarHBondContact O-CA 3.41Å; V63-G67 PolarHBondContact O-N 3.41Å; G67-R69 PolarHBondContact O-N 3.47Å; G67-Y70 PolarHBondContact O-N 2.67Å
68	D	94.3	Very high	96	Very high	84 Å²	84	30.3 Å²	30.3	45%	0.449	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-70.2	-8.3	-178.9	-76.8	-16.1	0	0	0	114.4	L66 Y70 R113 N121	L66-D68 PolarHBondContact O-N 2.87Å; D68-Y70 VanDerWaalsContact C-N 3.27Å; D68-R113 VanDerWaalsContact CG-NH2 3.35Å; D68-R113 IonicContact OD1-CZ 3.82Å; D68-R113 VanDerWaalsContact OD1-CZ 3.28Å; D68-R113 IonicContact OD1-NH1 3.99Å; D68-R113 PolarHBondContact OD1-NH1 3.01Å; D68-R113 IonicContact OD1-NH2 3.94Å; D68-R113 PolarHBondContact OD1-NH2 3.02Å; D68-R113 IonicContact OD2-NH2 2.85Å; D68-N121 PolarHBondContact O-ND2 3.18Å
69	R	95.6	Very high	95.9	Very high	71 Å²	71	35.3 Å²	35.3	27%	0.268	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-84.8	0.6	176.3	-58.6	-171.7	-177.9	-98.1	-7.2	113.2	R34 K35 F36 V37 L66 G67 I71 E181	R34-R69 PolarHBondContact O-NH1 2.7Å; K35-R69 WeakPolarHBondContact O-CB 3.25Å; K35-R69 WeakPolarHBondContact O-CD 3.41Å; F36-R69 HydrophobicContact CD1-CB 3.86Å; F36-R69 HydrophobicContact CD1-CG 4.07Å; F36-R69 HydrophobicContact CE1-CB 4.17Å; F36-R69 HydrophobicContact CE1-CG 3.88Å; V37-R69 PolarHBondContact N-O 2.9Å; L66-R69 PolarHBondContact O-N 2.9Å; G67-R69 PolarHBondContact O-N 3.47Å; R69-I71 WeakPolarHBondContact O-CD1 3.28Å; R69-E181 IonicContact NH1-OE1 3.78Å
70	Y	97.8	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	169.3	178.8	-115.9	0	0	0	110.6	V37 E39 K58 A62 V63 L66 G67 D68 L72 P120	V37-Y70 HydrophobicContact CB-CD2 4.27Å; V37-Y70 HydrophobicContact CG1-CD2 4.11Å; V37-Y70 HydrophobicContact CG1-CE2 4.43Å; V37-Y70 WeakPolarHBondContact O-CA 3.3Å; E39-Y70 HydrophobicContact CB-CE2 3.77Å; E39-Y70 VanDerWaalsContact OE2-CE2 3.27Å; E39-Y70 WeakPolarHBondContact OE2-CE2 3.35Å; E39-Y70 PolarHBondContact OE2-OH 3.34Å; K58-Y70 PolarHBondContact NZ-OH 2.86Å; A62-Y70 HydrophobicContact CB-CD1 4.03Å; A62-Y70 HydrophobicContact CB-CD2 4.35Å; A62-Y70 HydrophobicContact CB-CE1 3.66Å; A62-Y70 HydrophobicContact CB-CE2 4.01Å; A62-Y70 HydrophobicContact CB-CG 4.34Å; V63-Y70 HydrophobicContact CG2-CD1 3.9Å; L66-Y70 HydrophobicContact CD1-CD2 3.72Å; L66-Y70 HydrophobicContact CD1-CG 4.11Å; G67-Y70 PolarHBondContact O-N 2.67Å; D68-Y70 VanDerWaalsContact C-N 3.27Å; Y70-L72 HydrophobicContact CE1-CD1 4.1Å; Y70-L72 HydrophobicContact CE1-CD2 4.4Å; Y70-L72 HydrophobicContact CE1-CG 3.98Å; Y70-L72 WeakPolarHBondContact OH-CD2 3.38Å; Y70-P120 HydrophobicContact CD1-CB 4.07Å; Y70-P120 HydrophobicContact CE1-CB 4.1Å
71	I	98.5	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131	-178.1	-56.3	95.3	0	0	0	109.4	F36 V37 F38 E39 R69 F73 L95 N121 V123	F36-I71 HydrophobicContact CD1-CD1 4.3Å; V37-I71 PolarHBondContact O-N 3.41Å; F38-I71 CarbonylContact C-O 3.57Å; F38-I71 VanDerWaalsContact CA-O 3.29Å; F38-I71 WeakPolarHBondContact CA-O 3.47Å; F38-I71 HydrophobicContact CD1-CB 3.81Å; F38-I71 HydrophobicContact CD1-CD1 4.37Å; F38-I71 HydrophobicContact CD1-CG2 4.2Å; F38-I71 HydrophobicContact CE1-CB 3.9Å; F38-I71 HydrophobicContact CE1-CD1 3.87Å; F38-I71 HydrophobicContact CE1-CG1 4.21Å; F38-I71 HydrophobicContact CE1-CG2 4.24Å; F38-I71 HydrophobicContact CZ-CD1 4.33Å; E39-I71 PolarHBondContact N-O 3.02Å; R69-I71 WeakPolarHBondContact O-CD1 3.28Å; I71-F73 HydrophobicContact CG2-CD1 4.08Å; I71-F73 HydrophobicContact CG2-CE1 3.73Å; I71-L95 HydrophobicContact CD1-CD1 4.27Å; I71-L95 HydrophobicContact CG1-CD1 4.08Å; I71-N121 HydrophobicContact CB-CB 4.4Å; I71-N121 HydrophobicContact CG1-CB 3.96Å; I71-N121 HydrophobicContact CG2-CB 4.35Å; I71-V123 HydrophobicContact CG2-CG2 3.77Å
72	L	98.8	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.7	178.5	-77	166.5	0	0	0	111.3	E39 V44 I55 Y70 W114 P120 N121 V122 V123	E39-L72 HydrophobicContact CB-CD2 3.83Å; E39-L72 HydrophobicContact CG-CD2 4.13Å; E39-L72 CarbonylContact O-C 3.44Å; E39-L72 VanDerWaalsContact O-CA 3.29Å; E39-L72 WeakPolarHBondContact O-CA 3.34Å; V44-L72 HydrophobicContact CG1-CB 3.87Å; V44-L72 HydrophobicContact CG2-CB 4.23Å; V44-L72 HydrophobicContact CG2-CD2 4.02Å; I55-L72 HydrophobicContact CG2-CD1 3.98Å; I55-L72 HydrophobicContact CG2-CD2 3.46Å; I55-L72 VanDerWaalsContact CG2-CD2 3.46Å; I55-L72 HydrophobicContact CG2-CG 4.4Å; Y70-L72 HydrophobicContact CE1-CD1 4.1Å; Y70-L72 HydrophobicContact CE1-CD2 4.4Å; Y70-L72 HydrophobicContact CE1-CG 3.98Å; Y70-L72 WeakPolarHBondContact OH-CD2 3.38Å; L72-W114 HydrophobicContact CD1-CE3 3.84Å; L72-W114 HydrophobicContact CD1-CZ3 4.09Å; L72-P120 HydrophobicContact CD1-CB 4Å; L72-P120 HydrophobicContact CD1-CG 3.83Å; L72-N121 PolarHBondContact N-O 2.88Å; L72-V122 HydrophobicContact CB-CG1 3.84Å; L72-V122 HydrophobicContact CD1-CG1 4.39Å; L72-V122 CarbonylContact O-C 3.23Å; L72-V122 VanDerWaalsContact O-CA 3.31Å; L72-V122 WeakPolarHBondContact O-CA 3.45Å; L72-V123 PolarHBondContact O-N 3.09Å
73	F	98.7	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.5	176.9	-70.7	-5.2	0	0	0	111.6	F38 E39 V40 A41 V44 I71 V123 F125 I166 F169 L170	F38-F73 HydrophobicContact CB-CE2 4.21Å; F38-F73 HydrophobicContact CB-CZ 4.35Å; F38-F73 HydrophobicContact CD1-CD1 4.33Å; F38-F73 AromaticContact CD1-CE1 3.45Å; F38-F73 HydrophobicContact CD1-CE1 3.45Å; F38-F73 VanDerWaalsContact CD1-CE1 3.45Å; F38-F73 AromaticContact CD1-CE2 3.83Å; F38-F73 HydrophobicContact CD1-CE2 3.83Å; F38-F73 AromaticContact CD1-CZ 3.14Å; F38-F73 HydrophobicContact CD1-CZ 3.14Å; F38-F73 AromaticContact CE1-CE1 3.86Å; F38-F73 HydrophobicContact CE1-CE1 3.86Å; F38-F73 AromaticContact CE1-CZ 3.54Å; F38-F73 HydrophobicContact CE1-CZ 3.54Å; F38-F73 HydrophobicContact CG-CE1 4.49Å; F38-F73 HydrophobicContact CG-CE2 4.17Å; F38-F73 AromaticContact CG-CZ 3.91Å; F38-F73 HydrophobicContact CG-CZ 3.91Å; E39-F73 PolarHBondContact O-N 3.46Å; V40-F73 HydrophobicContact CB-CB 4.31Å; V40-F73 HydrophobicContact CG1-CB 4.08Å; V40-F73 HydrophobicContact CG2-CB 4.06Å; V40-F73 HydrophobicContact CG2-CD2 3.86Å; V40-F73 HydrophobicContact CG2-CG 4.31Å; A41-F73 PolarHBondContact N-O 3.35Å; A41-F73 VanDerWaalsContact N-O 3.14Å; A41-F73 VanDerWaalsContact O-O 3.09Å; V44-F73 VanDerWaalsContact CG2-O 3.31Å; V44-F73 WeakPolarHBondContact CG2-O 3.49Å; I71-F73 HydrophobicContact CG2-CD1 4.08Å; I71-F73 HydrophobicContact CG2-CE1 3.73Å; F73-V123 WeakPolarHBondContact CA-O 3.41Å; F73-V123 HydrophobicContact CD1-CB 3.67Å; F73-V123 HydrophobicContact CD1-CG1 4.46Å; F73-V123 HydrophobicContact CD1-CG2 4.23Å; F73-V123 HydrophobicContact CE1-CB 3.7Å; F73-V123 HydrophobicContact CE1-CG1 4.34Å; F73-V123 HydrophobicContact CE1-CG2 3.83Å; F73-F125 HydrophobicContact CB-CE2 4.03Å; F73-F125 HydrophobicContact CD1-CE2 4.03Å; F73-F125 HydrophobicContact CD1-CZ 4.48Å; F73-F125 HydrophobicContact CD2-CE2 4.05Å; F73-F125 HydrophobicContact CD2-CZ 4.33Å; F73-F125 HydrophobicContact CE1-CE2 4.5Å; F73-F125 HydrophobicContact CE2-CZ 4.38Å; F73-F125 AromaticContact CG-CE2 3.78Å; F73-F125 HydrophobicContact CG-CE2 3.78Å; F73-F125 HydrophobicContact CG-CZ 4.39Å; F73-F125 HydrophobicContact CZ-CZ 4.47Å; F73-I166 HydrophobicContact CD2-CG1 4.24Å; F73-I166 HydrophobicContact CD2-CG2 4.02Å; F73-I166 HydrophobicContact CE2-CG2 4.33Å; F73-F169 HydrophobicContact CE1-CD1 4.32Å; F73-F169 HydrophobicContact CE1-CE1 4.1Å; F73-F169 HydrophobicContact CE1-CZ 4.4Å; F73-F169 AromaticContact CE2-CD1 3.95Å; F73-F169 HydrophobicContact CE2-CD1 3.95Å; F73-F169 HydrophobicContact CE2-CE1 4.47Å; F73-F169 HydrophobicContact CE2-CG 4.41Å; F73-F169 AromaticContact CZ-CD1 3.38Å; F73-F169 HydrophobicContact CZ-CD1 3.38Å; F73-F169 AromaticContact CZ-CE1 3.49Å; F73-F169 HydrophobicContact CZ-CE1 3.49Å; F73-F169 VanDerWaalsContact CZ-CE1 3.49Å; F73-F169 HydrophobicContact CZ-CG 4.05Å; F73-F169 HydrophobicContact CZ-CZ 4.19Å; F73-L170 HydrophobicContact CE2-CD2 4.19Å; F73-L170 HydrophobicContact CE2-CG 4.41Å
74	G	98.4	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.9	177.6	0	0	0	0	0	113.5	V123 L124 F125 F162	G74-V123 PolarHBondContact N-O 3.1Å; G74-L124 VanDerWaalsContact O-CA 3.31Å; G74-L124 WeakPolarHBondContact O-CA 3.36Å; G74-F125 PolarHBondContact O-N 2.59Å; G74-F162 VanDerWaalsContact C-CE2 3.4Å
75	P	97.5	Very high	95.9	Very high	8 Å²	8	43 Å²	43	5%	0.052	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	145.7	168.1	32	-35.7	0	0	0	110.5	W42 N77 I127	W42-P75 HydrophobicContact CD2-CG 3.88Å; W42-P75 HydrophobicContact CE3-CB 4.35Å; W42-P75 HydrophobicContact CE3-CG 3.94Å; W42-P75 HydrophobicContact CG-CG 4.4Å; W42-P75 HydrophobicContact CH2-CB 4.12Å; W42-P75 HydrophobicContact CH2-CG 4.28Å; W42-P75 HydrophobicContact CZ2-CB 4.45Å; W42-P75 HydrophobicContact CZ2-CG 4.25Å; W42-P75 HydrophobicContact CZ3-CB 4.08Å; W42-P75 HydrophobicContact CZ3-CG 4.15Å; W42-P75 VanDerWaalsContact O-CD 3.27Å; W42-P75 WeakPolarHBondContact O-CD 3.39Å; W42-P75 WeakPolarHBondContact O-CG 3.22Å; P75-N77 PolarHBondContact O-N 3.46Å; P75-I127 HydrophobicContact CB-CD1 3.89Å; P75-I127 HydrophobicContact CB-CG1 4.48Å
76	L	97.5	Very high	96.1	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	23%	0.227	C	C	.	.			trans	-75	106.6	177.2	-178.3	68.2	0	0	0	110.6	M81 K108 V110 L124 F125 D126	L76-M81 HydrophobicContact CD1-CB 4.15Å; L76-M81 HydrophobicContact CD1-CE 4.3Å; L76-M81 HydrophobicContact CD1-CG 4.02Å; L76-K108 HydrophobicContact CD2-CD 4.17Å; L76-K108 HydrophobicContact CD2-CG 4.44Å; L76-V110 HydrophobicContact CD1-CB 4.27Å; L76-V110 HydrophobicContact CD1-CG2 3.93Å; L76-V110 HydrophobicContact CD2-CG2 4.16Å; L76-L124 HydrophobicContact CB-CB 4.21Å; L76-L124 HydrophobicContact CD1-CB 3.82Å; L76-L124 HydrophobicContact CD1-CD1 4.02Å; L76-F125 WeakPolarHBondContact CB-O 3.34Å; L76-F125 PolarHBondContact N-O 3.07Å; L76-D126 HydrophobicContact CB-CB 4.31Å; L76-D126 HydrophobicContact CD2-CB 3.83Å
77	N	95.4	Very high	96.2	Very high	49 Å²	49	46.6 Å²	46.6	26%	0.262	25%	0.245	S	C	.	.			trans	-98.8	108.9	163.2	-176.3	-30	0	0	0	109.2	N46 P75 V79 C80 M81	N46-N77 PolarHBondContact OD1-ND2 3.34Å; P75-N77 PolarHBondContact O-N 3.46Å; N77-V79 VanDerWaalsContact C-N 3.26Å; N77-V79 PolarHBondContact O-N 3.13Å; N77-V79 PolarHBondContact OD1-N 3.14Å; N77-V79 VanDerWaalsContact OD1-N 3.12Å; N77-C80 HydrophobicContact CB-CB 4.16Å; N77-C80 PolarHBondContact O-N 3.37Å; N77-C80 PolarHBondContact OD1-N 2.93Å; N77-M81 VanDerWaalsContact O-CB 3.23Å; N77-M81 WeakPolarHBondContact O-CB 3.29Å; N77-M81 PolarHBondContact O-N 3.38Å
78	E	93.6	Very high	96.3	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-32.6	-174.7	-71.4	-148.3	169.1	0	0	113.9	M81 R82 K108	E78-M81 HydrophobicContact CB-CE 4.4Å; E78-M81 HydrophobicContact CG-CE 4.47Å; E78-R82 VanDerWaalsContact O-CG 3.28Å; E78-R82 WeakPolarHBondContact O-CG 3.33Å; E78-R82 PolarHBondContact O-N 2.97Å; E78-R82 IonicContact OE2-CZ 2.69Å; E78-R82 IonicContact OE2-NH2 2.76Å; E78-R82 PolarHBondContact OE2-NH2 3.35Å; E78-K108 IonicContact OE1-NZ 2.7Å; E78-K108 PolarHBondContact OE1-NZ 3.48Å
79	V	94.3	Very high	96.3	Very high	109 Å²	109	48.6 Å²	48.6	66%	0.661	25%	0.247	S	C	*	.	H	α-helix	trans	-69.8	-52.2	-179.3	179	0	0	0	0	109.4	N77 M81 R82 T83	N77-V79 VanDerWaalsContact C-N 3.26Å; N77-V79 PolarHBondContact O-N 3.13Å; N77-V79 PolarHBondContact OD1-N 3.14Å; N77-V79 VanDerWaalsContact OD1-N 3.12Å; V79-M81 PolarHBondContact O-N 2.77Å; V79-R82 PolarHBondContact O-N 3.04Å; V79-T83 PolarHBondContact O-OG1 3.37Å
80	C	94	Very high	96.2	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-39.4	-179.9	-63.3	0	0	0	0	112.1	V45 N77 R82 T83 E84	V45-C80 HydrophobicContact CG1-CB 4.25Å; V45-C80 WeakPolarHBondContact O-CB 3.4Å; N77-C80 HydrophobicContact CB-CB 4.16Å; N77-C80 PolarHBondContact O-N 3.37Å; N77-C80 PolarHBondContact OD1-N 2.93Å; C80-R82 VanDerWaalsContact C-N 3.33Å; C80-R82 PolarHBondContact O-N 3.32Å; C80-T83 PolarHBondContact O-N 2.8Å; C80-T83 VanDerWaalsContact O-N 3.14Å; C80-T83 PolarHBondContact O-OG1 3.42Å; C80-T83 VanDerWaalsContact O-OG1 3.09Å; C80-E84 VanDerWaalsContact O-CB 3.32Å; C80-E84 WeakPolarHBondContact O-CB 3.34Å; C80-E84 PolarHBondContact O-N 3.44Å
81	M	95.2	Very high	95.9	Very high	23 Å²	23	51.1 Å²	51.1	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-40.8	178.9	174.1	-91.1	-50.2	0	0	112.2	L76 N77 E78 V79 T83 V85 V87 L124	L76-M81 HydrophobicContact CD1-CB 4.15Å; L76-M81 HydrophobicContact CD1-CE 4.3Å; L76-M81 HydrophobicContact CD1-CG 4.02Å; N77-M81 VanDerWaalsContact O-CB 3.23Å; N77-M81 WeakPolarHBondContact O-CB 3.29Å; N77-M81 PolarHBondContact O-N 3.38Å; E78-M81 HydrophobicContact CB-CE 4.4Å; E78-M81 HydrophobicContact CG-CE 4.47Å; V79-M81 PolarHBondContact O-N 2.77Å; M81-T83 VanDerWaalsContact C-N 3.26Å; M81-T83 PolarHBondContact O-N 3.15Å; M81-V85 HydrophobicContact CG-CB 4.31Å; M81-V85 WeakPolarHBondContact O-CB 3.46Å; M81-V85 PolarHBondContact O-N 3.47Å; M81-V85 VanDerWaalsContact O-N 3.08Å; M81-V87 HydrophobicContact CG-CG2 4.41Å; M81-V87 HydrophobicContact SD-CG2 3.81Å; M81-L124 HydrophobicContact CB-CD1 4.13Å; M81-L124 HydrophobicContact CG-CD1 4.08Å
82	R	94.5	Very high	95.6	Very high	185 Å²	185	53.1 Å²	53.1	70%	0.698	28%	0.281	S	S	*	.	H	α-helix	trans	-66.8	-24.9	178.2	-70.7	174.2	-165	-168.5	7.8	113.8	E78 V79 C80	E78-R82 VanDerWaalsContact O-CG 3.28Å; E78-R82 WeakPolarHBondContact O-CG 3.33Å; E78-R82 PolarHBondContact O-N 2.97Å; E78-R82 IonicContact OE2-CZ 2.69Å; E78-R82 IonicContact OE2-NH2 2.76Å; E78-R82 PolarHBondContact OE2-NH2 3.35Å; V79-R82 PolarHBondContact O-N 3.04Å; C80-R82 VanDerWaalsContact C-N 3.33Å; C80-R82 PolarHBondContact O-N 3.32Å
83	T	94.2	Very high	95.5	Very high	100 Å²	100	57.3 Å²	57.3	61%	0.613	30%	0.301	S	S	*	.	H	α-helix	trans	-102.8	-25.5	-176.6	52.6	0	0	0	0	113.6	V79 C80 M81	V79-T83 PolarHBondContact O-OG1 3.37Å; C80-T83 PolarHBondContact O-N 2.8Å; C80-T83 VanDerWaalsContact O-N 3.14Å; C80-T83 PolarHBondContact O-OG1 3.42Å; C80-T83 VanDerWaalsContact O-OG1 3.09Å; M81-T83 VanDerWaalsContact C-N 3.26Å; M81-T83 PolarHBondContact O-N 3.15Å
84	E	95.7	Very high	95.3	Very high	38 Å²	38	57.5 Å²	57.5	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-117.1	-8.2	-171.2	-63.5	-174.1	-134.2	0	0	113.9	V45 Y52 C80 W114 L115	V45-E84 HydrophobicContact CG1-CB 4Å; Y52-E84 PolarHBondContact OH-OE2 3.08Å; C80-E84 VanDerWaalsContact O-CB 3.32Å; C80-E84 WeakPolarHBondContact O-CB 3.34Å; C80-E84 PolarHBondContact O-N 3.44Å; E84-W114 VanDerWaalsContact O-CD1 3.27Å; E84-W114 PolarHBondContact OE2-NE1 2.85Å; E84-L115 VanDerWaalsContact O-CB 3.28Å; E84-L115 WeakPolarHBondContact O-CB 3.22Å; E84-L115 WeakPolarHBondContact O-CG 3.49Å; E84-L115 PolarHBondContact O-N 3.1Å
85	V	97.7	Very high	95.2	Very high	12 Å²	12	57.7 Å²	57.7	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.3	-174.6	-176.9	0	0	0	0	111.8	V45 M81 V87 R113 V122 L124	V45-V85 HydrophobicContact CB-CG2 4.25Å; V45-V85 HydrophobicContact CG1-CG2 3.37Å; V45-V85 HydrophobicContact CG2-CG2 3.81Å; M81-V85 HydrophobicContact CG-CB 4.31Å; M81-V85 WeakPolarHBondContact O-CB 3.46Å; M81-V85 PolarHBondContact O-N 3.47Å; M81-V85 VanDerWaalsContact O-N 3.08Å; V85-V87 HydrophobicContact CG1-CG2 4.3Å; V85-V87 PolarHBondContact O-N 3.31Å; V85-R113 WeakPolarHBondContact CA-O 3.26Å; V85-V122 HydrophobicContact CG1-CG2 3.89Å; V85-V122 HydrophobicContact CG2-CG2 4.35Å; V85-L124 HydrophobicContact CG2-CD1 4.22Å
86	D	97.3	Very high	95.2	Very high	70 Å²	70	62 Å²	62	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	102.2	163.1	-174.6	25.1	0	0	0	109.3	T88 G112 R113 L115 Y119	D86-T88 PolarHBondContact O-N 3.37Å; D86-G112 CarbonylContact O-C 3.55Å; D86-G112 WeakPolarHBondContact O-CA 3.47Å; D86-R113 HydrophobicContact CB-CB 4.49Å; D86-R113 PolarHBondContact N-O 2.92Å; D86-R113 PolarHBondContact O-N 2.73Å; D86-L115 HydrophobicContact CB-CD2 4.19Å; D86-Y119 PolarHBondContact OD2-OH 3.46Å
87	V	97.2	Very high	95.2	Very high	77 Å²	77	65 Å²	65	47%	0.467	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.3	-176.5	179.2	0	0	0	0	109.4	M81 V85 V110	M81-V87 HydrophobicContact CG-CG2 4.41Å; M81-V87 HydrophobicContact SD-CG2 3.81Å; V85-V87 HydrophobicContact CG1-CG2 4.3Å; V85-V87 PolarHBondContact O-N 3.31Å; V87-V110 HydrophobicContact CG1-CG1 3.98Å; V87-V110 HydrophobicContact CG2-CG1 4.04Å
88	T	95.6	Very high	95.3	Very high	48 Å²	48	62.7 Å²	62.7	29%	0.294	32%	0.319	S	S	.	.			trans	-138.8	179.8	-175.6	53.7	0	0	0	0	110.3	D86 F111	D86-T88 PolarHBondContact O-N 3.37Å; T88-F111 PolarHBondContact N-O 2.74Å; T88-F111 WeakPolarHBondContact O-CD1 3.32Å; T88-F111 VanDerWaalsContact O-O 3.07Å
89	E	94.1	Very high	95.5	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	30%	0.301	S	S	.	.			trans	-103.7	144.4	169.7	-74	-68.6	143.1	0	0	109.7	R103	E89-R103 IonicContact OE1-CZ 3.67Å; E89-R103 IonicContact OE1-NH1 3.04Å; E89-R103 PolarHBondContact OE1-NH1 3.47Å; E89-R103 IonicContact OE1-NH2 3.68Å; E89-R103 IonicContact OE2-NH1 3.36Å
90	P	94.2	Very high	95.6	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.052	30%	0.295	C	S	.	.			trans	-66	141.5	-177.7	28.5	-36.3	0	0	0	111.7	L95 K96 I99 F111	P90-L95 HydrophobicContact CB-CB 3.85Å; P90-L95 HydrophobicContact CB-CD1 4.43Å; P90-L95 HydrophobicContact CG-CB 4.24Å; P90-K96 HydrophobicContact CG-CB 3.84Å; P90-K96 HydrophobicContact CG-CG 4.3Å; P90-I99 HydrophobicContact CG-CD1 3.93Å; P90-F111 HydrophobicContact CB-CD1 4.05Å; P90-F111 HydrophobicContact CB-CD2 4.06Å; P90-F111 HydrophobicContact CB-CE1 3.87Å; P90-F111 HydrophobicContact CB-CE2 3.87Å; P90-F111 HydrophobicContact CB-CG 4.15Å; P90-F111 HydrophobicContact CB-CZ 3.76Å; P90-F111 HydrophobicContact CG-CD1 4.46Å; P90-F111 HydrophobicContact CG-CG 4.39Å
91	T	90.8	Very high	95.8	Very high	115 Å²	115	59.6 Å²	59.6	71%	0.706	30%	0.297	S	S	*	.	S	Bend	trans	-78	-30.5	173.6	51.8	0	0	0	0	112.2
92	N	93.2	Very high	95.8	Very high	43 Å²	43	58.5 Å²	58.5	23%	0.23	29%	0.291	C	S	.	.	S	Bend	trans	-76.5	127.6	177.4	178	-82.6	0	0	0	111.1	A94 L95 K96	N92-A94 PolarHBondContact O-N 3.04Å; N92-A94 WeakPolarHBondContact OD1-CA 3.4Å; N92-A94 WeakPolarHBondContact OD1-CB 3.4Å; N92-A94 PolarHBondContact OD1-N 2.87Å; N92-L95 HydrophobicContact CB-CB 4.25Å; N92-L95 HydrophobicContact CB-CD1 4.05Å; N92-L95 HydrophobicContact CB-CG 4.21Å; N92-L95 PolarHBondContact O-N 3.02Å; N92-L95 PolarHBondContact OD1-N 2.79Å; N92-K96 PolarHBondContact O-N 3.05Å
93	E	95.4	Very high	95.9	Very high	87 Å²	87	54 Å²	54	41%	0.407	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-36.1	-175.4	-174.2	60	-160.6	0	0	112.9	K96 R97 L180	E93-K96 WeakPolarHBondContact O-CB 3.44Å; E93-K96 PolarHBondContact O-N 3.04Å; E93-R97 WeakPolarHBondContact O-CG 3.25Å; E93-R97 PolarHBondContact O-N 2.99Å; E93-R97 IonicContact OE1-NE 3.11Å; E93-R97 PolarHBondContact OE1-NE 2.9Å; E93-L180 HydrophobicContact CB-CD1 4.13Å; E93-L180 HydrophobicContact CG-CD1 3.92Å; E93-L180 HydrophobicContact CG-CD2 4.44Å
94	A	95.9	Very high	96	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-42.3	176.9	0	0	0	0	0	111.5	N92 T98 F173 N176 V177 L180	N92-A94 PolarHBondContact O-N 3.04Å; N92-A94 WeakPolarHBondContact OD1-CA 3.4Å; N92-A94 WeakPolarHBondContact OD1-CB 3.4Å; N92-A94 PolarHBondContact OD1-N 2.87Å; A94-T98 WeakPolarHBondContact O-CB 3.42Å; A94-T98 PolarHBondContact O-N 3.32Å; A94-T98 PolarHBondContact O-OG1 2.93Å; A94-F173 HydrophobicContact CB-CD2 4.12Å; A94-F173 HydrophobicContact CB-CE2 3.7Å; A94-F173 HydrophobicContact CB-CZ 4.44Å; A94-N176 HydrophobicContact CB-CB 4.02Å; A94-V177 HydrophobicContact CB-CG2 3.84Å; A94-L180 HydrophobicContact CB-CD1 3.93Å
95	L	96.2	Very high	96	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-45.4	172.6	-74.5	178	0	0	0	111.1	F38 I71 P90 N92 T98 I99 F111 F169 F173	F38-L95 HydrophobicContact CE1-CD2 4.18Å; F38-L95 HydrophobicContact CZ-CD2 4.38Å; I71-L95 HydrophobicContact CD1-CD1 4.27Å; I71-L95 HydrophobicContact CG1-CD1 4.08Å; P90-L95 HydrophobicContact CB-CB 3.85Å; P90-L95 HydrophobicContact CB-CD1 4.43Å; P90-L95 HydrophobicContact CG-CB 4.24Å; N92-L95 HydrophobicContact CB-CB 4.25Å; N92-L95 HydrophobicContact CB-CD1 4.05Å; N92-L95 HydrophobicContact CB-CG 4.21Å; N92-L95 PolarHBondContact O-N 3.02Å; N92-L95 PolarHBondContact OD1-N 2.79Å; L95-T98 PolarHBondContact O-N 2.87Å; L95-I99 WeakPolarHBondContact O-CB 3.4Å; L95-I99 WeakPolarHBondContact O-CD1 3.39Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 3.5Å; L95-F111 HydrophobicContact CD1-CE2 4.3Å; L95-F169 HydrophobicContact CD2-CE1 4.03Å; L95-F169 HydrophobicContact CD2-CZ 3.77Å; L95-F173 HydrophobicContact CD2-CD2 3.78Å; L95-F173 HydrophobicContact CD2-CE2 3.6Å; L95-F173 HydrophobicContact CD2-CZ 4.45Å; L95-F173 HydrophobicContact CG-CD2 4.3Å; L95-F173 HydrophobicContact CG-CE2 3.74Å
96	K	97.1	Very high	95.7	Very high	99 Å²	99	61.3 Å²	61.3	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-48.3	179.9	-168.2	178.5	178.8	-178.4	0	112.2	P90 N92 E93 K100	P90-K96 HydrophobicContact CG-CB 3.84Å; P90-K96 HydrophobicContact CG-CG 4.3Å; N92-K96 PolarHBondContact O-N 3.05Å; E93-K96 WeakPolarHBondContact O-CB 3.44Å; E93-K96 PolarHBondContact O-N 3.04Å; K96-K100 VanDerWaalsContact O-CB 3.27Å; K96-K100 WeakPolarHBondContact O-CB 3.22Å; K96-K100 PolarHBondContact O-N 3.38Å
97	R	97.6	Very high	95.6	Very high	86 Å²	86	58 Å²	58	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.7	-71.9	-175.3	-177.2	-163.7	1.6	111.7	E93 K100 A101 N176 E179	E93-R97 WeakPolarHBondContact O-CG 3.25Å; E93-R97 PolarHBondContact O-N 2.99Å; E93-R97 IonicContact OE1-NE 3.11Å; E93-R97 PolarHBondContact OE1-NE 2.9Å; R97-K100 PolarHBondContact O-N 2.74Å; R97-A101 WeakPolarHBondContact O-CB 3.35Å; R97-A101 PolarHBondContact O-N 3.39Å; R97-N176 WeakPolarHBondContact CB-OD1 3.1Å; R97-N176 WeakPolarHBondContact CD-OD1 3.47Å; R97-E179 IonicContact CZ-OE1 2.83Å; R97-E179 IonicContact NH1-OE1 3.96Å; R97-E179 PolarHBondContact NH1-OE1 3.34Å; R97-E179 IonicContact NH1-OE2 3.33Å
98	T	98	Very high	95.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-51.2	178.6	-57.9	0	0	0	0	111.7	A94 L95 K100 A101 M102 F169 E172 F173 N176	A94-T98 WeakPolarHBondContact O-CB 3.42Å; A94-T98 PolarHBondContact O-N 3.32Å; A94-T98 PolarHBondContact O-OG1 2.93Å; L95-T98 PolarHBondContact O-N 2.87Å; T98-K100 VanDerWaalsContact C-N 3.32Å; T98-K100 PolarHBondContact O-N 3.45Å; T98-A101 PolarHBondContact O-N 3.46Å; T98-M102 PolarHBondContact O-N 2.98Å; T98-M102 VanDerWaalsContact O-N 3.1Å; T98-F169 HydrophobicContact CG2-CD1 4.02Å; T98-F169 HydrophobicContact CG2-CD2 3.72Å; T98-F169 HydrophobicContact CG2-CE1 3.93Å; T98-F169 HydrophobicContact CG2-CE2 3.66Å; T98-F169 HydrophobicContact CG2-CG 3.9Å; T98-F169 HydrophobicContact CG2-CZ 3.75Å; T98-E172 HydrophobicContact CG2-CB 3.77Å; T98-F173 HydrophobicContact CG2-CB 4.22Å; T98-F173 VanDerWaalsContact OG1-CA 3.28Å; T98-F173 WeakPolarHBondContact OG1-CA 3.23Å; T98-F173 PolarHBondContact OG1-N 3.44Å; T98-N176 PolarHBondContact OG1-ND2 3.13Å
99	I	97.6	Very high	95.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-42.1	179.7	-71.4	161	0	0	0	110.6	P90 L95 M102 R103 V109 F111 F169	P90-I99 HydrophobicContact CG-CD1 3.93Å; L95-I99 WeakPolarHBondContact O-CB 3.4Å; L95-I99 WeakPolarHBondContact O-CD1 3.39Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 3.5Å; I99-M102 PolarHBondContact O-N 2.88Å; I99-R103 HydrophobicContact CG2-CG 4.36Å; I99-R103 VanDerWaalsContact CG2-NE 3.3Å; I99-R103 WeakPolarHBondContact O-CB 3.4Å; I99-R103 VanDerWaalsContact O-CG 3.26Å; I99-R103 WeakPolarHBondContact O-CG 3.36Å; I99-R103 PolarHBondContact O-N 3.32Å; I99-V109 HydrophobicContact CG1-CG1 4.33Å; I99-V109 HydrophobicContact CG2-CG1 4.5Å; I99-F111 HydrophobicContact CD1-CB 3.8Å; I99-F111 HydrophobicContact CD1-CD2 4Å; I99-F111 HydrophobicContact CD1-CG 4.17Å; I99-F169 HydrophobicContact CG1-CE2 3.77Å; I99-F169 HydrophobicContact CG1-CZ 4.3Å
100	K	96.9	Very high	95.8	Very high	124 Å²	124	51.9 Å²	51.9	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-47.9	176.8	-178.1	179.2	168.2	-174.3	0	111.6	K96 R97 T98 M102 R103 E104	K96-K100 VanDerWaalsContact O-CB 3.27Å; K96-K100 WeakPolarHBondContact O-CB 3.22Å; K96-K100 PolarHBondContact O-N 3.38Å; R97-K100 PolarHBondContact O-N 2.74Å; T98-K100 VanDerWaalsContact C-N 3.32Å; T98-K100 PolarHBondContact O-N 3.45Å; K100-M102 VanDerWaalsContact C-N 3.34Å; K100-M102 PolarHBondContact O-N 3.1Å; K100-R103 PolarHBondContact O-N 3.15Å; K100-E104 WeakPolarHBondContact CE-OE1 3.48Å; K100-E104 HydrophobicContact CG-CG 4.43Å; K100-E104 IonicContact NZ-OE1 2.84Å; K100-E104 WeakPolarHBondContact O-CG 3.37Å; K100-E104 PolarHBondContact O-N 2.89Å
101	A	96.6	Very high	96	Very high	22 Å²	22	51.7 Å²	51.7	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-43.7	179.3	0	0	0	0	0	112.1	R97 T98 E104 H105	R97-A101 WeakPolarHBondContact O-CB 3.35Å; R97-A101 PolarHBondContact O-N 3.39Å; T98-A101 PolarHBondContact O-N 3.46Å; A101-E104 PolarHBondContact O-N 3.35Å; A101-H105 PolarHBondContact O-CD2 3.04Å; A101-H105 PolarHBondContact O-N 3.19Å
102	M	97.1	Very high	96.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-41.2	176.6	-68.2	-172.1	75.6	0	0	112.6	T98 I99 K100 H105 G106 T107 V109 F125 L165 W168 F169	T98-M102 PolarHBondContact O-N 2.98Å; T98-M102 VanDerWaalsContact O-N 3.1Å; I99-M102 PolarHBondContact O-N 2.88Å; K100-M102 VanDerWaalsContact C-N 3.34Å; K100-M102 PolarHBondContact O-N 3.1Å; M102-H105 CarbonylContact O-C 3.48Å; M102-H105 PolarHBondContact O-N 3.22Å; M102-G106 PolarHBondContact O-N 3.26Å; M102-T107 HydrophobicContact CE-CG2 4.16Å; M102-T107 WeakPolarHBondContact O-CB 3.45Å; M102-T107 PolarHBondContact O-N 3.44Å; M102-V109 HydrophobicContact CB-CG2 4.14Å; M102-V109 HydrophobicContact CE-CG2 4.25Å; M102-V109 HydrophobicContact SD-CG2 4.33Å; M102-F125 HydrophobicContact CE-CD1 4.34Å; M102-F125 HydrophobicContact CE-CE1 4.07Å; M102-F125 HydrophobicContact SD-CE1 4.26Å; M102-L165 HydrophobicContact CE-CD2 3.93Å; M102-W168 HydrophobicContact CE-CD2 4.08Å; M102-W168 HydrophobicContact CE-CE3 3.75Å; M102-W168 HydrophobicContact CE-CZ3 4.17Å; M102-W168 HydrophobicContact CG-CZ2 4.41Å; M102-F169 HydrophobicContact SD-CB 3.82Å; M102-F169 HydrophobicContact SD-CD2 3.56Å; M102-F169 VanDerWaalsContact SD-CD2 3.56Å; M102-F169 HydrophobicContact SD-CG 4.13Å
103	R	96.6	Very high	96.5	Very high	91 Å²	91	45.8 Å²	45.8	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-40.4	175.8	-73.3	171.8	179	172.8	0.6	111.9	E89 I99 K100 H105 G106 T107 V109	E89-R103 IonicContact OE1-CZ 3.67Å; E89-R103 IonicContact OE1-NH1 3.04Å; E89-R103 PolarHBondContact OE1-NH1 3.47Å; E89-R103 IonicContact OE1-NH2 3.68Å; E89-R103 IonicContact OE2-NH1 3.36Å; I99-R103 HydrophobicContact CG2-CG 4.36Å; I99-R103 VanDerWaalsContact CG2-NE 3.3Å; I99-R103 WeakPolarHBondContact O-CB 3.4Å; I99-R103 VanDerWaalsContact O-CG 3.26Å; I99-R103 WeakPolarHBondContact O-CG 3.36Å; I99-R103 PolarHBondContact O-N 3.32Å; K100-R103 PolarHBondContact O-N 3.15Å; R103-H105 PolarHBondContact O-N 3.33Å; R103-G106 PolarHBondContact O-N 3.07Å; R103-T107 WeakPolarHBondContact CA-O 3.29Å; R103-V109 PolarHBondContact NE-O 2.88Å; R103-V109 PolarHBondContact NH2-O 2.63Å
104	E	96.2	Very high	96.7	Very high	137 Å²	137	41.6 Å²	41.6	64%	0.64	20%	0.2	S	C	*	.	H	α-helix	trans	-63.7	-29.8	176	-74.8	175.3	169.5	0	0	112.5	K100 A101 G106	K100-E104 WeakPolarHBondContact CE-OE1 3.48Å; K100-E104 HydrophobicContact CG-CG 4.43Å; K100-E104 IonicContact NZ-OE1 2.84Å; K100-E104 WeakPolarHBondContact O-CG 3.37Å; K100-E104 PolarHBondContact O-N 2.89Å; A101-E104 PolarHBondContact O-N 3.35Å; E104-G106 PolarHBondContact O-N 2.69Å
105	H	94	Very high	96.7	Very high	114 Å²	114	46.1 Å²	46.1	53%	0.528	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	13.8	171.2	-79.1	-67.9	0	0	0	114.4	A101 M102 R103 T107 W168	A101-H105 PolarHBondContact O-CD2 3.04Å; A101-H105 PolarHBondContact O-N 3.19Å; M102-H105 CarbonylContact O-C 3.48Å; M102-H105 PolarHBondContact O-N 3.22Å; R103-H105 PolarHBondContact O-N 3.33Å; H105-T107 VanDerWaalsContact C-N 3.35Å; H105-T107 PolarHBondContact O-N 3.02Å; H105-W168 HydrophobicContact CB-CH2 3.59Å; H105-W168 HydrophobicContact CB-CZ2 4.02Å; H105-W168 AromaticContact CD2-CZ2 3.95Å
106	G	93.2	Very high	96.7	Very high	52 Å²	52	47 Å²	47	54%	0.536	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	10.1	174.4	0	0	0	0	0	114.9	M102 R103 E104	M102-G106 PolarHBondContact O-N 3.26Å; R103-G106 PolarHBondContact O-N 3.07Å; E104-G106 PolarHBondContact O-N 2.69Å
107	T	95.1	Very high	96.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	24%	0.235	C	C	.	.			trans	-90	121.7	175.7	-55.2	0	0	0	0	110.1	M102 R103 H105 V109 S130 L165 W168	M102-T107 HydrophobicContact CE-CG2 4.16Å; M102-T107 WeakPolarHBondContact O-CB 3.45Å; M102-T107 PolarHBondContact O-N 3.44Å; R103-T107 WeakPolarHBondContact CA-O 3.29Å; H105-T107 VanDerWaalsContact C-N 3.35Å; H105-T107 PolarHBondContact O-N 3.02Å; T107-V109 HydrophobicContact CG2-CG2 3.88Å; T107-V109 PolarHBondContact O-N 3.29Å; T107-S130 PolarHBondContact OG1-OG 2.78Å; T107-L165 HydrophobicContact CG2-CD1 4.27Å; T107-L165 HydrophobicContact CG2-CD2 3.7Å; T107-W168 WeakPolarHBondContact OG1-CZ3 3.44Å
108	K	95.7	Very high	96.3	Very high	82 Å²	82	45.6 Å²	45.6	36%	0.357	23%	0.234	S	C	.	.			trans	-78.6	113.5	177	176.4	-178.7	176.1	-169.7	0	109.2	L76 E78 D126 S129	L76-K108 HydrophobicContact CD2-CD 4.17Å; L76-K108 HydrophobicContact CD2-CG 4.44Å; E78-K108 IonicContact OE1-NZ 2.7Å; E78-K108 PolarHBondContact OE1-NZ 3.48Å; K108-D126 HydrophobicContact CB-CB 3.7Å; K108-D126 HydrophobicContact CD-CB 4.14Å; K108-D126 HydrophobicContact CG-CB 4.01Å; K108-D126 VanDerWaalsContact O-CB 3.25Å; K108-D126 WeakPolarHBondContact O-CB 3.28Å; K108-D126 PolarHBondContact O-N 3.46Å; K108-S129 PolarHBondContact N-OG 2.79Å
109	V	97.2	Very high	96.2	Very high	2 Å²	2	50 Å²	50	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126	177.4	-176.9	0	0	0	0	108.7	I99 M102 R103 T107 V123 L124 F125	I99-V109 HydrophobicContact CG1-CG1 4.33Å; I99-V109 HydrophobicContact CG2-CG1 4.5Å; M102-V109 HydrophobicContact CB-CG2 4.14Å; M102-V109 HydrophobicContact CE-CG2 4.25Å; M102-V109 HydrophobicContact SD-CG2 4.33Å; R103-V109 PolarHBondContact NE-O 2.88Å; R103-V109 PolarHBondContact NH2-O 2.63Å; T107-V109 HydrophobicContact CG2-CG2 3.88Å; T107-V109 PolarHBondContact O-N 3.29Å; V109-V123 HydrophobicContact CG1-CG1 3.38Å; V109-L124 WeakPolarHBondContact CA-O 3.46Å; V109-F125 HydrophobicContact CG1-CD1 4.4Å; V109-F125 HydrophobicContact CG1-CE1 4.33Å; V109-F125 HydrophobicContact CG2-CD1 4.02Å; V109-F125 HydrophobicContact CG2-CE1 4.33Å
110	V	97.2	Very high	96.2	Very high	17 Å²	17	50 Å²	50	10%	0.103	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.6	179.5	-179.9	0	0	0	0	108.8	L76 V87 V123 L124	L76-V110 HydrophobicContact CD1-CB 4.27Å; L76-V110 HydrophobicContact CD1-CG2 3.93Å; L76-V110 HydrophobicContact CD2-CG2 4.16Å; V87-V110 HydrophobicContact CG1-CG1 3.98Å; V87-V110 HydrophobicContact CG2-CG1 4.04Å; V110-V123 CarbonylContact O-C 3.54Å; V110-V123 WeakPolarHBondContact O-CA 3.31Å; V110-L124 HydrophobicContact CB-CB 4.37Å; V110-L124 PolarHBondContact N-O 3.23Å; V110-L124 PolarHBondContact O-N 3.4Å
111	F	98.3	Very high	96.3	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.5	169.2	178	-90.1	0	0	0	109.1	T88 P90 L95 I99 N121 V122 V123	T88-F111 PolarHBondContact N-O 2.74Å; T88-F111 WeakPolarHBondContact O-CD1 3.32Å; T88-F111 VanDerWaalsContact O-O 3.07Å; P90-F111 HydrophobicContact CB-CD1 4.05Å; P90-F111 HydrophobicContact CB-CD2 4.06Å; P90-F111 HydrophobicContact CB-CE1 3.87Å; P90-F111 HydrophobicContact CB-CE2 3.87Å; P90-F111 HydrophobicContact CB-CG 4.15Å; P90-F111 HydrophobicContact CB-CZ 3.76Å; P90-F111 HydrophobicContact CG-CD1 4.46Å; P90-F111 HydrophobicContact CG-CG 4.39Å; L95-F111 HydrophobicContact CD1-CE2 4.3Å; I99-F111 HydrophobicContact CD1-CB 3.8Å; I99-F111 HydrophobicContact CD1-CD2 4Å; I99-F111 HydrophobicContact CD1-CG 4.17Å; F111-N121 HydrophobicContact CE2-CB 4.1Å; F111-N121 HydrophobicContact CZ-CB 4.21Å; F111-N121 VanDerWaalsContact CZ-OD1 3.31Å; F111-N121 WeakPolarHBondContact CZ-OD1 3.45Å; F111-V122 WeakPolarHBondContact CA-O 3.4Å; F111-V123 HydrophobicContact CD2-CG2 3.94Å
112	G	97.5	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-165.9	174.5	0	0	0	0	0	112.3	D86 V122	D86-G112 CarbonylContact O-C 3.55Å; D86-G112 WeakPolarHBondContact O-CA 3.47Å; G112-V122 PolarHBondContact N-O 3.38Å; G112-V122 WeakPolarHBondContact O-CG2 3.44Å; G112-V122 PolarHBondContact O-N 2.9Å
113	R	98	Very high	96.4	Very high	34 Å²	34	43.3 Å²	43.3	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.2	176	-65.2	-83.9	-170.7	170.9	-4.5	109.4	D68 V85 D86 L115 Y119 P120 N121	D68-R113 VanDerWaalsContact CG-NH2 3.35Å; D68-R113 IonicContact OD1-CZ 3.82Å; D68-R113 VanDerWaalsContact OD1-CZ 3.28Å; D68-R113 IonicContact OD1-NH1 3.99Å; D68-R113 PolarHBondContact OD1-NH1 3.01Å; D68-R113 IonicContact OD1-NH2 3.94Å; D68-R113 PolarHBondContact OD1-NH2 3.02Å; D68-R113 IonicContact OD2-NH2 2.85Å; V85-R113 WeakPolarHBondContact CA-O 3.26Å; D86-R113 HydrophobicContact CB-CB 4.49Å; D86-R113 PolarHBondContact N-O 2.92Å; D86-R113 PolarHBondContact O-N 2.73Å; R113-L115 PolarHBondContact O-N 3.4Å; R113-Y119 HydrophobicContact CB-CD1 4.06Å; R113-Y119 HydrophobicContact CB-CD2 3.84Å; R113-Y119 HydrophobicContact CB-CE1 3.59Å; R113-Y119 HydrophobicContact CB-CE2 3.33Å; R113-Y119 HydrophobicContact CB-CG 4.17Å; R113-Y119 WeakPolarHBondContact CB-OH 3.33Å; R113-Y119 WeakPolarHBondContact CD-O 3.16Å; R113-Y119 HydrophobicContact CG-CD1 3.99Å; R113-Y119 HydrophobicContact CG-CE1 3.42Å; R113-Y119 VanDerWaalsContact CG-CE1 3.42Å; R113-Y119 HydrophobicContact CG-CE2 4.15Å; R113-Y119 PolarHBondContact NH1-O 3.3Å; R113-Y119 VanDerWaalsContact NH1-O 3.16Å; R113-P120 WeakPolarHBondContact CA-O 3.26Å; R113-N121 WeakPolarHBondContact CD-OD1 3.3Å; R113-N121 PolarHBondContact NE-OD1 3.41Å; R113-N121 PolarHBondContact NH1-OD1 3.4Å; R113-N121 PolarHBondContact NH2-OD1 2.89Å
114	W	98.1	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.5	177.5	-162.6	-2.1	0	0	0	109.6	V45 Y52 I55 R56 L72 E84 I116 P120 V122	V45-W114 HydrophobicContact CG2-CD2 3.89Å; V45-W114 HydrophobicContact CG2-CE3 4.36Å; V45-W114 HydrophobicContact CG2-CG 4Å; Y52-W114 HydrophobicContact CD2-CH2 4.23Å; Y52-W114 HydrophobicContact CD2-CZ2 4.04Å; Y52-W114 HydrophobicContact CE2-CH2 4.1Å; Y52-W114 AromaticContact CE2-CZ2 3.45Å; Y52-W114 HydrophobicContact CE2-CZ2 3.45Å; Y52-W114 VanDerWaalsContact CE2-CZ2 3.45Å; Y52-W114 AromaticContact CZ-CZ2 3.82Å; I55-W114 HydrophobicContact CG2-CZ3 3.89Å; R56-W114 HydrophobicContact CB-CH2 3.99Å; R56-W114 HydrophobicContact CB-CZ2 4.28Å; L72-W114 HydrophobicContact CD1-CE3 3.84Å; L72-W114 HydrophobicContact CD1-CZ3 4.09Å; E84-W114 VanDerWaalsContact O-CD1 3.27Å; E84-W114 PolarHBondContact OE2-NE1 2.85Å; W114-I116 HydrophobicContact CB-CD1 4.36Å; W114-I116 HydrophobicContact CB-CG1 4.01Å; W114-I116 HydrophobicContact CD2-CD1 3.52Å; W114-I116 HydrophobicContact CD2-CG1 3.96Å; W114-I116 HydrophobicContact CD2-CG2 4.22Å; W114-I116 HydrophobicContact CE3-CD1 3.48Å; W114-I116 VanDerWaalsContact CE3-CD1 3.48Å; W114-I116 HydrophobicContact CE3-CG1 4.34Å; W114-I116 HydrophobicContact CG-CD1 3.94Å; W114-I116 HydrophobicContact CG-CG1 3.81Å; W114-I116 HydrophobicContact CG-CG2 4.11Å; W114-I116 HydrophobicContact CH2-CD1 4.38Å; W114-I116 HydrophobicContact CZ2-CD1 4.4Å; W114-I116 HydrophobicContact CZ2-CG2 4.5Å; W114-I116 HydrophobicContact CZ3-CD1 3.94Å; W114-I116 PolarHBondContact O-N 3.28Å; W114-P120 HydrophobicContact CB-CG 4Å; W114-P120 PolarHBondContact N-O 3.14Å; W114-V122 HydrophobicContact CB-CG1 3.88Å; W114-V122 HydrophobicContact CE3-CG1 4.43Å
115	L	97.5	Very high	96.6	Very high	99 Å²	99	32.4 Å²	32.4	52%	0.518	17%	0.172	S	C	.	.	S	Bend	trans	-73.8	60.7	-179.8	-64.8	171.1	0	0	0	112	E84 D86 R113 Y119	E84-L115 VanDerWaalsContact O-CB 3.28Å; E84-L115 WeakPolarHBondContact O-CB 3.22Å; E84-L115 WeakPolarHBondContact O-CG 3.49Å; E84-L115 PolarHBondContact O-N 3.1Å; D86-L115 HydrophobicContact CB-CD2 4.19Å; R113-L115 PolarHBondContact O-N 3.4Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å
116	I	94.9	Very high	96.8	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.108	16%	0.157	C	C	.	.	S	Bend	trans	-133.9	170.4	177.8	60.7	167.8	0	0	0	109.8	R56 A59 W114 G118 Y119 P120	R56-I116 HydrophobicContact CB-CD1 4.3Å; R56-I116 HydrophobicContact CG-CB 4.25Å; R56-I116 HydrophobicContact CG-CD1 3.95Å; R56-I116 HydrophobicContact CG-CG2 3.92Å; A59-I116 HydrophobicContact CB-CD1 3.65Å; W114-I116 HydrophobicContact CB-CD1 4.36Å; W114-I116 HydrophobicContact CB-CG1 4.01Å; W114-I116 HydrophobicContact CD2-CD1 3.52Å; W114-I116 HydrophobicContact CD2-CG1 3.96Å; W114-I116 HydrophobicContact CD2-CG2 4.22Å; W114-I116 HydrophobicContact CE3-CD1 3.48Å; W114-I116 VanDerWaalsContact CE3-CD1 3.48Å; W114-I116 HydrophobicContact CE3-CG1 4.34Å; W114-I116 HydrophobicContact CG-CD1 3.94Å; W114-I116 HydrophobicContact CG-CG1 3.81Å; W114-I116 HydrophobicContact CG-CG2 4.11Å; W114-I116 HydrophobicContact CH2-CD1 4.38Å; W114-I116 HydrophobicContact CZ2-CD1 4.4Å; W114-I116 HydrophobicContact CZ2-CG2 4.5Å; W114-I116 HydrophobicContact CZ3-CD1 3.94Å; W114-I116 PolarHBondContact O-N 3.28Å; I116-G118 PolarHBondContact O-N 3.17Å; I116-Y119 PolarHBondContact O-N 2.89Å; I116-P120 HydrophobicContact CD1-CG 4.17Å; I116-P120 HydrophobicContact CG1-CG 4.29Å
117	E	91.8	Very high	96.9	Very high	126 Å²	126	27.4 Å²	27.4	59%	0.589	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	131.4	173.7	-163.6	178	-172.8	0	0	110.6	A60 N296	A60-E117 HydrophobicContact CB-CB 4.37Å; A60-E117 HydrophobicContact CB-CG 3.92Å; E117-N296 PolarHBondContact OE2-ND2 2.72Å
118	G	93.6	Very high	96.8	Very high	30 Å²	30	29.8 Å²	29.8	31%	0.309	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-22	-172.3	0	0	0	0	0	115.1	V63 I116	V63-G118 WeakPolarHBondContact CG1-O 3.44Å; I116-G118 PolarHBondContact O-N 3.17Å
119	Y	97.1	Very high	96.8	Very high	92 Å²	92	27.1 Å²	27.1	36%	0.361	15%	0.153	S	C	.	.			trans	48.1	51.5	178.5	-159.6	-120.8	0	0	0	114.9	D86 R113 L115 I116	D86-Y119 PolarHBondContact OD2-OH 3.46Å; R113-Y119 HydrophobicContact CB-CD1 4.06Å; R113-Y119 HydrophobicContact CB-CD2 3.84Å; R113-Y119 HydrophobicContact CB-CE1 3.59Å; R113-Y119 HydrophobicContact CB-CE2 3.33Å; R113-Y119 HydrophobicContact CB-CG 4.17Å; R113-Y119 WeakPolarHBondContact CB-OH 3.33Å; R113-Y119 WeakPolarHBondContact CD-O 3.16Å; R113-Y119 HydrophobicContact CG-CD1 3.99Å; R113-Y119 HydrophobicContact CG-CE1 3.42Å; R113-Y119 VanDerWaalsContact CG-CE1 3.42Å; R113-Y119 HydrophobicContact CG-CE2 4.15Å; R113-Y119 PolarHBondContact NH1-O 3.3Å; R113-Y119 VanDerWaalsContact NH1-O 3.16Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; I116-Y119 PolarHBondContact O-N 2.89Å
120	P	97.7	Very high	96.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.153	C	C	.	.			trans	-71.5	153.7	-174.1	32.8	-38.4	0	0	0	112.6	A59 V63 Y70 L72 R113 W114 I116	A59-P120 HydrophobicContact CB-CG 4.01Å; V63-P120 HydrophobicContact CG2-CB 3.77Å; Y70-P120 HydrophobicContact CD1-CB 4.07Å; Y70-P120 HydrophobicContact CE1-CB 4.1Å; L72-P120 HydrophobicContact CD1-CB 4Å; L72-P120 HydrophobicContact CD1-CG 3.83Å; R113-P120 WeakPolarHBondContact CA-O 3.26Å; W114-P120 HydrophobicContact CB-CG 4Å; W114-P120 PolarHBondContact N-O 3.14Å; I116-P120 HydrophobicContact CD1-CG 4.17Å; I116-P120 HydrophobicContact CG1-CG 4.29Å
121	N	98.2	Very high	96.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.9	169.5	-71.8	-44.5	0	0	0	110.6	D68 I71 L72 F111 R113	D68-N121 PolarHBondContact O-ND2 3.18Å; I71-N121 HydrophobicContact CB-CB 4.4Å; I71-N121 HydrophobicContact CG1-CB 3.96Å; I71-N121 HydrophobicContact CG2-CB 4.35Å; L72-N121 PolarHBondContact N-O 2.88Å; F111-N121 HydrophobicContact CE2-CB 4.1Å; F111-N121 HydrophobicContact CZ-CB 4.21Å; F111-N121 VanDerWaalsContact CZ-OD1 3.31Å; F111-N121 WeakPolarHBondContact CZ-OD1 3.45Å; R113-N121 WeakPolarHBondContact CD-OD1 3.3Å; R113-N121 PolarHBondContact NE-OD1 3.41Å; R113-N121 PolarHBondContact NH1-OD1 3.4Å; R113-N121 PolarHBondContact NH2-OD1 2.89Å
122	V	98.5	Very high	96.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.1	174.1	-71.3	0	0	0	0	111.4	V44 V45 L72 V85 F111 G112 W114	V44-V122 HydrophobicContact CG1-CG1 4.06Å; V45-V122 HydrophobicContact CG2-CG1 4.09Å; L72-V122 HydrophobicContact CB-CG1 3.84Å; L72-V122 HydrophobicContact CD1-CG1 4.39Å; L72-V122 CarbonylContact O-C 3.23Å; L72-V122 VanDerWaalsContact O-CA 3.31Å; L72-V122 WeakPolarHBondContact O-CA 3.45Å; V85-V122 HydrophobicContact CG1-CG2 3.89Å; V85-V122 HydrophobicContact CG2-CG2 4.35Å; F111-V122 WeakPolarHBondContact CA-O 3.4Å; G112-V122 PolarHBondContact N-O 3.38Å; G112-V122 WeakPolarHBondContact O-CG2 3.44Å; G112-V122 PolarHBondContact O-N 2.9Å; W114-V122 HydrophobicContact CB-CG1 3.88Å; W114-V122 HydrophobicContact CE3-CG1 4.43Å
123	V	98.6	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.3	166.9	-179.9	0	0	0	0	108.1	I71 L72 F73 G74 V109 V110 F111 F125 F169	I71-V123 HydrophobicContact CG2-CG2 3.77Å; L72-V123 PolarHBondContact O-N 3.09Å; F73-V123 WeakPolarHBondContact CA-O 3.41Å; F73-V123 HydrophobicContact CD1-CB 3.67Å; F73-V123 HydrophobicContact CD1-CG1 4.46Å; F73-V123 HydrophobicContact CD1-CG2 4.23Å; F73-V123 HydrophobicContact CE1-CB 3.7Å; F73-V123 HydrophobicContact CE1-CG1 4.34Å; F73-V123 HydrophobicContact CE1-CG2 3.83Å; G74-V123 PolarHBondContact N-O 3.1Å; V109-V123 HydrophobicContact CG1-CG1 3.38Å; V110-V123 CarbonylContact O-C 3.54Å; V110-V123 WeakPolarHBondContact O-CA 3.31Å; F111-V123 HydrophobicContact CD2-CG2 3.94Å; V123-F125 HydrophobicContact CB-CE2 4.27Å; V123-F125 HydrophobicContact CB-CZ 4.48Å; V123-F125 HydrophobicContact CG1-CD2 4.37Å; V123-F125 HydrophobicContact CG1-CE1 4.17Å; V123-F125 HydrophobicContact CG1-CE2 3.71Å; V123-F125 HydrophobicContact CG1-CZ 3.6Å; V123-F169 HydrophobicContact CG1-CD2 4.37Å; V123-F169 HydrophobicContact CG1-CE2 3.93Å; V123-F169 HydrophobicContact CG2-CE2 4.44Å; V123-F169 HydrophobicContact CG2-CZ 4.31Å
124	L	98.5	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.8	-178.3	-57.4	179.7	0	0	0	110.7	V44 V45 G74 L76 M81 V85 V109 V110	V44-L124 HydrophobicContact CG1-CD2 4.22Å; V45-L124 HydrophobicContact CB-CD1 4.24Å; V45-L124 HydrophobicContact CB-CD2 4.16Å; V45-L124 HydrophobicContact CG1-CD1 4.3Å; V45-L124 HydrophobicContact CG2-CD1 4.35Å; V45-L124 HydrophobicContact CG2-CD2 4.07Å; G74-L124 VanDerWaalsContact O-CA 3.31Å; G74-L124 WeakPolarHBondContact O-CA 3.36Å; L76-L124 HydrophobicContact CB-CB 4.21Å; L76-L124 HydrophobicContact CD1-CB 3.82Å; L76-L124 HydrophobicContact CD1-CD1 4.02Å; M81-L124 HydrophobicContact CB-CD1 4.13Å; M81-L124 HydrophobicContact CG-CD1 4.08Å; V85-L124 HydrophobicContact CG2-CD1 4.22Å; V109-L124 WeakPolarHBondContact CA-O 3.46Å; V110-L124 HydrophobicContact CB-CB 4.37Å; V110-L124 PolarHBondContact N-O 3.23Å; V110-L124 PolarHBondContact O-N 3.4Å
125	F	98.2	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122	-174	-62.8	-91.4	0	0	0	111.2	F73 G74 L76 M102 V109 V123 I127 F162 L165 F169	F73-F125 HydrophobicContact CB-CE2 4.03Å; F73-F125 HydrophobicContact CD1-CE2 4.03Å; F73-F125 HydrophobicContact CD1-CZ 4.48Å; F73-F125 HydrophobicContact CD2-CE2 4.05Å; F73-F125 HydrophobicContact CD2-CZ 4.33Å; F73-F125 HydrophobicContact CE1-CE2 4.5Å; F73-F125 HydrophobicContact CE2-CZ 4.38Å; F73-F125 AromaticContact CG-CE2 3.78Å; F73-F125 HydrophobicContact CG-CE2 3.78Å; F73-F125 HydrophobicContact CG-CZ 4.39Å; F73-F125 HydrophobicContact CZ-CZ 4.47Å; G74-F125 PolarHBondContact O-N 2.59Å; L76-F125 WeakPolarHBondContact CB-O 3.34Å; L76-F125 PolarHBondContact N-O 3.07Å; M102-F125 HydrophobicContact CE-CD1 4.34Å; M102-F125 HydrophobicContact CE-CE1 4.07Å; M102-F125 HydrophobicContact SD-CE1 4.26Å; V109-F125 HydrophobicContact CG1-CD1 4.4Å; V109-F125 HydrophobicContact CG1-CE1 4.33Å; V109-F125 HydrophobicContact CG2-CD1 4.02Å; V109-F125 HydrophobicContact CG2-CE1 4.33Å; V123-F125 HydrophobicContact CB-CE2 4.27Å; V123-F125 HydrophobicContact CB-CZ 4.48Å; V123-F125 HydrophobicContact CG1-CD2 4.37Å; V123-F125 HydrophobicContact CG1-CE1 4.17Å; V123-F125 HydrophobicContact CG1-CE2 3.71Å; V123-F125 HydrophobicContact CG1-CZ 3.6Å; F125-I127 PolarHBondContact O-N 3.37Å; F125-F162 HydrophobicContact CB-CD2 4.28Å; F125-F162 HydrophobicContact CB-CE2 4.38Å; F125-F162 HydrophobicContact CD2-CD2 4.48Å; F125-F162 AromaticContact CD2-CE2 3.88Å; F125-F162 HydrophobicContact CD2-CE2 3.88Å; F125-F162 HydrophobicContact CG-CE2 4.47Å; F125-L165 HydrophobicContact CB-CD1 4.05Å; F125-L165 HydrophobicContact CD1-CB 3.93Å; F125-L165 HydrophobicContact CD1-CD1 4.44Å; F125-L165 HydrophobicContact CE1-CB 4.46Å; F125-L165 HydrophobicContact CG-CB 4.41Å; F125-F169 HydrophobicContact CE1-CB 3.95Å; F125-F169 AromaticContact CE1-CD2 3.74Å; F125-F169 HydrophobicContact CE1-CD2 3.74Å; F125-F169 HydrophobicContact CE1-CG 4.16Å; F125-F169 HydrophobicContact CZ-CB 3.91Å; F125-F169 AromaticContact CZ-CD2 3.69Å; F125-F169 HydrophobicContact CZ-CD2 3.69Å; F125-F169 HydrophobicContact CZ-CE2 4.44Å; F125-F169 AromaticContact CZ-CG 3.89Å; F125-F169 HydrophobicContact CZ-CG 3.89Å
126	D	97.1	Very high	95.7	Very high	39 Å²	39	43.9 Å²	43.9	21%	0.209	24%	0.24	C	C	.	.			trans	-77.6	104.3	172.1	-178	14.5	0	0	0	111	L76 K108 G128 S129	L76-D126 HydrophobicContact CB-CB 4.31Å; L76-D126 HydrophobicContact CD2-CB 3.83Å; K108-D126 HydrophobicContact CB-CB 3.7Å; K108-D126 HydrophobicContact CD-CB 4.14Å; K108-D126 HydrophobicContact CG-CB 4.01Å; K108-D126 VanDerWaalsContact O-CB 3.25Å; K108-D126 WeakPolarHBondContact O-CB 3.28Å; K108-D126 PolarHBondContact O-N 3.46Å; D126-G128 VanDerWaalsContact C-N 3.25Å; D126-G128 PolarHBondContact O-N 3.11Å; D126-G128 PolarHBondContact OD1-N 3.44Å; D126-S129 PolarHBondContact O-N 3.08Å; D126-S129 PolarHBondContact O-OG 3.32Å
127	I	95.2	Very high	95.8	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.108	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.8	177.9	-62.4	-179.7	0	0	0	110.7	W42 P75 F125 S129 S130 A131 D158 I161 F162	W42-I127 HydrophobicContact CH2-CD1 3.34Å; W42-I127 HydrophobicContact CZ2-CD1 4.44Å; W42-I127 HydrophobicContact CZ3-CD1 3.69Å; P75-I127 HydrophobicContact CB-CD1 3.89Å; P75-I127 HydrophobicContact CB-CG1 4.48Å; F125-I127 PolarHBondContact O-N 3.37Å; I127-S129 VanDerWaalsContact C-N 3.29Å; I127-S129 PolarHBondContact O-N 3.01Å; I127-S130 PolarHBondContact O-N 2.93Å; I127-A131 PolarHBondContact O-N 3Å; I127-D158 HydrophobicContact CD1-CB 4.06Å; I127-D158 HydrophobicContact CG2-CB 4.27Å; I127-I161 HydrophobicContact CB-CG2 4.19Å; I127-I161 HydrophobicContact CG2-CB 3.84Å; I127-I161 HydrophobicContact CG2-CD1 3.75Å; I127-I161 HydrophobicContact CG2-CG1 4.43Å; I127-I161 HydrophobicContact CG2-CG2 3.64Å; I127-F162 HydrophobicContact CD1-CB 4.13Å; I127-F162 HydrophobicContact CG1-CB 4.42Å
128	G	94.6	Very high	96	Very high	53 Å²	53	39.3 Å²	39.3	55%	0.546	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-61.7	-37.5	-178.4	0	0	0	0	0	112.6	D126 S130 A131	D126-G128 VanDerWaalsContact C-N 3.25Å; D126-G128 PolarHBondContact O-N 3.11Å; D126-G128 PolarHBondContact OD1-N 3.44Å; G128-S130 PolarHBondContact O-N 2.88Å; G128-S130 VanDerWaalsContact O-N 3.14Å; G128-A131 PolarHBondContact O-N 3.1Å
129	S	93.9	Very high	96.2	Very high	25 Å²	25	44.1 Å²	44.1	18%	0.175	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.2	-179.7	72.8	0	0	0	0	114.2	K108 D126 I127	K108-S129 PolarHBondContact N-OG 2.79Å; D126-S129 PolarHBondContact O-N 3.08Å; D126-S129 PolarHBondContact O-OG 3.32Å; I127-S129 VanDerWaalsContact C-N 3.29Å; I127-S129 PolarHBondContact O-N 3.01Å
130	S	93.3	Very high	96.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-119	8.5	-176	-65.4	0	0	0	0	114.4	T107 I127 G128 W132 R133	T107-S130 PolarHBondContact OG1-OG 2.78Å; I127-S130 PolarHBondContact O-N 2.93Å; G128-S130 PolarHBondContact O-N 2.88Å; G128-S130 VanDerWaalsContact O-N 3.14Å; S130-W132 PolarHBondContact O-N 3.28Å; S130-W132 VanDerWaalsContact O-N 3.1Å; S130-R133 PolarHBondContact O-N 3.07Å
131	A	92.6	Very high	96.1	Very high	43 Å²	43	41.9 Å²	41.9	36%	0.355	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-57.7	-28.6	-178.8	0	0	0	0	0	113.3	I127 G128 R133 I134 I161	I127-A131 PolarHBondContact O-N 3Å; G128-A131 PolarHBondContact O-N 3.1Å; A131-R133 PolarHBondContact O-N 2.6Å; A131-R133 VanDerWaalsContact O-N 3.16Å; A131-I134 WeakPolarHBondContact O-CB 3.44Å; A131-I134 WeakPolarHBondContact O-CG2 3.49Å; A131-I134 PolarHBondContact O-N 3.24Å; A131-I134 VanDerWaalsContact O-N 3.15Å; A131-I161 HydrophobicContact CB-CD1 4.14Å
132	W	93.7	Very high	96	Very high	181 Å²	181	48.3 Å²	48.3	69%	0.686	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-64.1	-17.1	177.8	67.5	-90.8	0	0	0	114.4	S130	S130-W132 PolarHBondContact O-N 3.28Å; S130-W132 VanDerWaalsContact O-N 3.1Å
133	R	93.9	Very high	95.9	Very high	55 Å²	55	54.5 Å²	54.5	21%	0.208	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-91.9	-3.2	177.6	-64.6	-173.1	178.8	-175.4	2.8	113.8	S130 A131 D135 S136 W137 W168	S130-R133 PolarHBondContact O-N 3.07Å; A131-R133 PolarHBondContact O-N 2.6Å; A131-R133 VanDerWaalsContact O-N 3.16Å; R133-D135 VanDerWaalsContact C-N 3.3Å; R133-D135 PolarHBondContact O-N 2.77Å; R133-S136 WeakPolarHBondContact O-CB 3.39Å; R133-S136 PolarHBondContact O-N 2.81Å; R133-S136 VanDerWaalsContact O-N 3.08Å; R133-W137 HydrophobicContact CB-CD2 4.05Å; R133-W137 HydrophobicContact CB-CE3 3.96Å; R133-W137 HydrophobicContact CB-CH2 3.78Å; R133-W137 HydrophobicContact CB-CZ2 3.81Å; R133-W137 HydrophobicContact CB-CZ3 3.81Å; R133-W137 HydrophobicContact CG-CH2 4.46Å; R133-W137 HydrophobicContact CG-CZ2 4.4Å; R133-W137 PolarHBondContact O-N 3.29Å; R133-W168 VanDerWaalsContact NH1-CZ3 3.34Å
134	I	95.7	Very high	95.6	Very high	29 Å²	29	57.2 Å²	57.2	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-55.9	-41.5	-169.6	-168.1	174.1	0	0	0	113.2	A131 S136 W137 K138 N157 I161	A131-I134 WeakPolarHBondContact O-CB 3.44Å; A131-I134 WeakPolarHBondContact O-CG2 3.49Å; A131-I134 PolarHBondContact O-N 3.24Å; A131-I134 VanDerWaalsContact O-N 3.15Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 2.74Å; I134-W137 PolarHBondContact O-N 3.32Å; I134-W137 VanDerWaalsContact O-N 3.16Å; I134-K138 HydrophobicContact CG1-CD 4.28Å; I134-K138 HydrophobicContact CG1-CG 4.24Å; I134-K138 WeakPolarHBondContact O-CG 3.43Å; I134-K138 PolarHBondContact O-N 3.11Å; I134-N157 HydrophobicContact CD1-CB 3.63Å; I134-I161 HydrophobicContact CB-CD1 4.38Å; I134-I161 HydrophobicContact CB-CG1 4.23Å; I134-I161 HydrophobicContact CD1-CD1 4.08Å; I134-I161 HydrophobicContact CD1-CG1 4.28Å; I134-I161 HydrophobicContact CG1-CD1 4.4Å; I134-I161 HydrophobicContact CG1-CG1 4.16Å
135	D	95.7	Very high	95.4	Very high	123 Å²	123	59.1 Å²	59.1	66%	0.658	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-37.3	-178.1	-66.5	-30.5	0	0	0	111.9	R133 K139	R133-D135 VanDerWaalsContact C-N 3.3Å; R133-D135 PolarHBondContact O-N 2.77Å; D135-K139 WeakPolarHBondContact O-CB 3.41Å; D135-K139 PolarHBondContact O-N 2.75Å
136	S	96.4	Very high	95.2	Very high	78 Å²	78	64.7 Å²	64.7	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-43	175.3	-174	0	0	0	0	111.3	R133 I134 K139 E140	R133-S136 WeakPolarHBondContact O-CB 3.39Å; R133-S136 PolarHBondContact O-N 2.81Å; R133-S136 VanDerWaalsContact O-N 3.08Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 2.74Å; S136-K139 PolarHBondContact O-N 3.39Å; S136-E140 PolarHBondContact O-N 3.04Å
137	W	96.5	Very high	95.2	Very high	19 Å²	19	63.5 Å²	63.5	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-74.5	-34.4	-179.4	-64.1	-36.6	0	0	0	112.8	R133 I134 K139 E140 L141 V160 I161 A164 L165 F203	R133-W137 HydrophobicContact CB-CD2 4.05Å; R133-W137 HydrophobicContact CB-CE3 3.96Å; R133-W137 HydrophobicContact CB-CH2 3.78Å; R133-W137 HydrophobicContact CB-CZ2 3.81Å; R133-W137 HydrophobicContact CB-CZ3 3.81Å; R133-W137 HydrophobicContact CG-CH2 4.46Å; R133-W137 HydrophobicContact CG-CZ2 4.4Å; R133-W137 PolarHBondContact O-N 3.29Å; I134-W137 PolarHBondContact O-N 3.32Å; I134-W137 VanDerWaalsContact O-N 3.16Å; W137-K139 VanDerWaalsContact C-N 3.32Å; W137-E140 PolarHBondContact O-N 2.61Å; W137-L141 WeakPolarHBondContact O-CB 3.31Å; W137-L141 PolarHBondContact O-N 3.27Å; W137-V160 HydrophobicContact CB-CG1 3.86Å; W137-I161 HydrophobicContact CE3-CG1 4.23Å; W137-I161 HydrophobicContact CZ3-CB 4.1Å; W137-I161 HydrophobicContact CZ3-CG1 4.05Å; W137-I161 HydrophobicContact CZ3-CG2 3.89Å; W137-A164 HydrophobicContact CB-CB 4.3Å; W137-A164 HydrophobicContact CD2-CB 3.29Å; W137-A164 VanDerWaalsContact CE2-CB 3.43Å; W137-A164 HydrophobicContact CE3-CB 3.62Å; W137-A164 HydrophobicContact CG-CB 3.63Å; W137-A164 HydrophobicContact CH2-CB 4.07Å; W137-A164 HydrophobicContact CZ2-CB 3.81Å; W137-A164 HydrophobicContact CZ3-CB 4.01Å; W137-L165 HydrophobicContact CH2-CD2 4.08Å; W137-L165 HydrophobicContact CH2-CG 4.32Å; W137-F203 HydrophobicContact CB-CE2 4.37Å
138	K	96.6	Very high	95.2	Very high	32 Å²	32	64.3 Å²	64.3	14%	0.139	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-42.3	170.3	-76	-174.5	174.9	-163.9	0	111.4	I134 L141 W142 I149 N157 V160	I134-K138 HydrophobicContact CG1-CD 4.28Å; I134-K138 HydrophobicContact CG1-CG 4.24Å; I134-K138 WeakPolarHBondContact O-CG 3.43Å; I134-K138 PolarHBondContact O-N 3.11Å; K138-L141 PolarHBondContact O-N 2.84Å; K138-W142 PolarHBondContact O-N 3.34Å; K138-I149 HydrophobicContact CD-CB 4.35Å; K138-I149 HydrophobicContact CG-CB 4.45Å; K138-I149 PolarHBondContact NZ-O 3.19Å; K138-N157 WeakPolarHBondContact CE-OD1 3.47Å; K138-N157 PolarHBondContact NZ-OD1 3.05Å; K138-V160 HydrophobicContact CG-CG1 4.41Å
139	K	97.2	Very high	95.2	Very high	131 Å²	131	62.7 Å²	62.7	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-48.7	175.1	-178.7	179.2	171.3	-177.3	0	111.3	D135 S136 W137 L141 W142 E143	D135-K139 WeakPolarHBondContact O-CB 3.41Å; D135-K139 PolarHBondContact O-N 2.75Å; S136-K139 PolarHBondContact O-N 3.39Å; W137-K139 VanDerWaalsContact C-N 3.32Å; K139-L141 VanDerWaalsContact C-N 3.32Å; K139-L141 PolarHBondContact O-N 2.92Å; K139-W142 PolarHBondContact O-N 3.19Å; K139-E143 WeakPolarHBondContact CE-OE1 3.42Å; K139-E143 HydrophobicContact CG-CG 4.47Å; K139-E143 IonicContact NZ-OE1 3.67Å; K139-E143 WeakPolarHBondContact O-CG 3.42Å; K139-E143 PolarHBondContact O-N 3.2Å
140	E	96.5	Very high	95.3	Very high	45 Å²	45	63.4 Å²	63.4	21%	0.21	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-41.6	177.4	-176.5	-176.8	168.9	0	0	112.1	S136 W137 E143 S144 F203 R207	S136-E140 PolarHBondContact O-N 3.04Å; W137-E140 PolarHBondContact O-N 2.61Å; E140-E143 PolarHBondContact O-N 3.44Å; E140-S144 VanDerWaalsContact O-CB 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.39Å; E140-S144 PolarHBondContact O-N 3.47Å; E140-S144 PolarHBondContact O-OG 3.17Å; E140-F203 HydrophobicContact CB-CZ 4.46Å; E140-F203 HydrophobicContact CG-CE1 4.38Å; E140-F203 HydrophobicContact CG-CZ 4.4Å; E140-R207 IonicContact OE1-CZ 2.93Å; E140-R207 VanDerWaalsContact OE1-CZ 3.25Å; E140-R207 IonicContact OE1-NE 3.8Å; E140-R207 PolarHBondContact OE1-NE 3.3Å; E140-R207 IonicContact OE1-NH2 3.52Å; E140-R207 PolarHBondContact OE1-NH2 2.9Å; E140-R207 IonicContact OE2-CZ 3.63Å; E140-R207 IonicContact OE2-NH2 2.82Å; E140-R207 PolarHBondContact OE2-NH2 3.2Å
141	L	96.5	Very high	95.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-46.9	176.4	-173.7	71	0	0	0	111.1	W137 K138 K139 S144 C145 I147 I149 V160 I199 V202 F203 L257	W137-L141 WeakPolarHBondContact O-CB 3.31Å; W137-L141 PolarHBondContact O-N 3.27Å; K138-L141 PolarHBondContact O-N 2.84Å; K139-L141 VanDerWaalsContact C-N 3.32Å; K139-L141 PolarHBondContact O-N 2.92Å; L141-S144 PolarHBondContact O-N 3.43Å; L141-C145 WeakPolarHBondContact CD1-SG 3.43Å; L141-C145 PolarHBondContact O-N 3.1Å; L141-C145 PolarHBondContact O-SG 3.32Å; L141-I147 HydrophobicContact CD2-CB 4.37Å; L141-I147 HydrophobicContact CD2-CG2 4.43Å; L141-I147 HydrophobicContact CG-CB 4.37Å; L141-I149 HydrophobicContact CD2-CD1 4.01Å; L141-I149 HydrophobicContact CD2-CG1 3.85Å; L141-V160 HydrophobicContact CD2-CG2 4.48Å; L141-I199 HydrophobicContact CD2-CG1 4.49Å; L141-V202 HydrophobicContact CD1-CG1 4.36Å; L141-F203 HydrophobicContact CB-CE1 4.06Å; L141-F203 HydrophobicContact CB-CZ 4.09Å; L141-F203 HydrophobicContact CD1-CE1 3.76Å; L141-F203 HydrophobicContact CD1-CZ 4.33Å; L141-L257 HydrophobicContact CD2-CD2 4.2Å
142	W	97	Very high	95.2	Very high	140 Å²	140	75 Å²	75	53%	0.53	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-47.6	176	-177.7	-98.3	0	0	0	111.8	K138 K139 S144 N146	K138-W142 PolarHBondContact O-N 3.34Å; K139-W142 PolarHBondContact O-N 3.19Å; W142-S144 VanDerWaalsContact C-N 3.29Å; W142-S144 PolarHBondContact O-N 3.45Å; W142-N146 VanDerWaalsContact CZ3-O 3.27Å; W142-N146 WeakPolarHBondContact CZ3-O 3.44Å; W142-N146 VanDerWaalsContact O-CA 3.22Å; W142-N146 WeakPolarHBondContact O-CA 3.44Å; W142-N146 PolarHBondContact O-N 3.41Å; W142-N146 PolarHBondContact O-OD1 2.96Å
143	E	96.1	Very high	95.3	Very high	130 Å²	130	67.2 Å²	67.2	61%	0.607	35%	0.353	S	S	*	.	H	α-helix	trans	-63.8	-33.8	179.7	-72	175.2	167.7	0	0	112.7	K139 E140	K139-E143 WeakPolarHBondContact CE-OE1 3.42Å; K139-E143 HydrophobicContact CG-CG 4.47Å; K139-E143 IonicContact NZ-OE1 3.67Å; K139-E143 WeakPolarHBondContact O-CG 3.42Å; K139-E143 PolarHBondContact O-N 3.2Å; E140-E143 PolarHBondContact O-N 3.44Å
144	S	92.3	Very high	95.3	Very high	58 Å²	58	69 Å²	69	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-84.3	-35.6	-176.6	-56.6	0	0	0	0	113.8	E140 L141 W142	E140-S144 VanDerWaalsContact O-CB 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.39Å; E140-S144 PolarHBondContact O-N 3.47Å; E140-S144 PolarHBondContact O-OG 3.17Å; L141-S144 PolarHBondContact O-N 3.43Å; W142-S144 VanDerWaalsContact C-N 3.29Å; W142-S144 PolarHBondContact O-N 3.45Å
145	C	93.7	Very high	95.3	Very high	40 Å²	40	71.2 Å²	71.2	27%	0.27	38%	0.379	S	S	.	.	H	α-helix	trans	-141.3	4.6	-170.5	63.8	0	0	0	0	115.6	L141 I147	L141-C145 WeakPolarHBondContact CD1-SG 3.43Å; L141-C145 PolarHBondContact O-N 3.1Å; L141-C145 PolarHBondContact O-SG 3.32Å; C145-I147 VanDerWaalsContact C-N 3.28Å; C145-I147 HydrophobicContact CB-CD1 4.34Å; C145-I147 HydrophobicContact CB-CG1 4.34Å; C145-I147 PolarHBondContact O-N 3.01Å
146	N	95.4	Very high	95.3	Very high	117 Å²	117	65.4 Å²	65.4	63%	0.626	35%	0.348	S	S	*	.			trans	56.8	34.7	-178.8	-61	-47.2	0	0	0	114.2	W142	W142-N146 VanDerWaalsContact CZ3-O 3.27Å; W142-N146 WeakPolarHBondContact CZ3-O 3.44Å; W142-N146 VanDerWaalsContact O-CA 3.22Å; W142-N146 WeakPolarHBondContact O-CA 3.44Å; W142-N146 PolarHBondContact O-N 3.41Å; W142-N146 PolarHBondContact O-OD1 2.96Å
147	I	95.8	Very high	95.3	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.072	33%	0.327	C	S	.	.			trans	-105	115.1	176.7	-57.1	177.5	0	0	0	109.6	L141 C145 I149 C256 L257 A260	L141-I147 HydrophobicContact CD2-CB 4.37Å; L141-I147 HydrophobicContact CD2-CG2 4.43Å; L141-I147 HydrophobicContact CG-CB 4.37Å; C145-I147 VanDerWaalsContact C-N 3.28Å; C145-I147 HydrophobicContact CB-CD1 4.34Å; C145-I147 HydrophobicContact CB-CG1 4.34Å; C145-I147 PolarHBondContact O-N 3.01Å; I147-I149 HydrophobicContact CG2-CD1 4Å; I147-C256 HydrophobicContact CD1-CB 3.96Å; I147-C256 HydrophobicContact CG1-CB 4.04Å; I147-C256 HydrophobicContact CG2-CB 4.06Å; I147-L257 HydrophobicContact CD1-CD2 4.3Å; I147-L257 HydrophobicContact CG2-CD2 4.1Å; I147-L257 HydrophobicContact CG2-CG 4.17Å; I147-A260 HydrophobicContact CD1-CB 3.72Å
148	G	95	Very high	95.3	Very high	38 Å²	38	64.1 Å²	64.1	39%	0.392	34%	0.337	S	S	.	.			trans	-94.3	136.1	179	0	0	0	0	0	111.8	H253	G148-H253 VanDerWaalsContact O-CB 3.28Å; G148-H253 WeakPolarHBondContact O-CB 3.36Å
149	I	95.8	Very high	95.3	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.097	33%	0.33	C	S	.	.			trans	-110.2	115.8	-179	-53.6	-50.2	0	0	0	110.9	K138 L141 I147 C156 V160 H253 L257	K138-I149 HydrophobicContact CD-CB 4.35Å; K138-I149 HydrophobicContact CG-CB 4.45Å; K138-I149 PolarHBondContact NZ-O 3.19Å; L141-I149 HydrophobicContact CD2-CD1 4.01Å; L141-I149 HydrophobicContact CD2-CG1 3.85Å; I147-I149 HydrophobicContact CG2-CD1 4Å; I149-C156 HydrophobicContact CG2-CB 3.94Å; I149-V160 HydrophobicContact CG1-CG2 3.88Å; I149-H253 HydrophobicContact CD1-CB 4.3Å; I149-L257 HydrophobicContact CD1-CD1 4.01Å; I149-L257 HydrophobicContact CD1-CG 4.4Å
150	P	94.7	Very high	95.4	Very high	39 Å²	39	56.4 Å²	56.4	25%	0.253	30%	0.303	S	S	.	.			trans	-57.2	142.2	177.8	-23.2	33.2	0	0	0	112.5	H152 D153	P150-H152 VanDerWaalsContact C-N 3.3Å; P150-H152 PolarHBondContact O-N 2.94Å; P150-D153 HydrophobicContact CB-CB 4.46Å; P150-D153 PolarHBondContact O-N 3.43Å
151	V	91.9	Very high	95.4	Very high	124 Å²	124	54.5 Å²	54.5	75%	0.752	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.1	-177.7	-178.6	0	0	0	0	112	N157	V151-N157 PolarHBondContact O-ND2 3Å
152	H	93.4	Very high	95.5	Very high	164 Å²	164	54.5 Å²	54.5	76%	0.759	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.8	-175.9	60.3	-89.8	0	0	0	114.4	P150 T154	P150-H152 VanDerWaalsContact C-N 3.3Å; P150-H152 PolarHBondContact O-N 2.94Å; H152-T154 PolarHBondContact O-N 3.28Å
153	D	94.7	Very high	95.5	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.091	27%	0.269	C	S	.	.			trans	-86.9	87.2	177.5	-169.7	-20.6	0	0	0	110.3	P150 E155 C156 N157 H253 R254	P150-D153 HydrophobicContact CB-CB 4.46Å; P150-D153 PolarHBondContact O-N 3.43Å; D153-E155 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.94Å; D153-E155 PolarHBondContact OD1-N 3.03Å; D153-C156 HydrophobicContact CB-CB 4.02Å; D153-C156 VanDerWaalsContact CG-CB 3.45Å; D153-C156 PolarHBondContact O-N 2.92Å; D153-C156 PolarHBondContact OD1-N 2.92Å; D153-N157 WeakPolarHBondContact O-CB 3.44Å; D153-N157 PolarHBondContact O-N 3.37Å; D153-N157 PolarHBondContact O-ND2 3.41Å; D153-H253 IonicContact OD2-CD2 2.77Å; D153-H253 IonicContact OD2-CE1 3.07Å; D153-H253 IonicContact OD2-NE2 3.88Å; D153-H253 PolarHBondContact OD2-NE2 3.5Å; D153-R254 VanDerWaalsContact CG-NH2 3.3Å; D153-R254 IonicContact OD1-CZ 3.99Å; D153-R254 IonicContact OD1-NE 3.72Å; D153-R254 IonicContact OD1-NH2 3Å; D153-R254 PolarHBondContact OD1-NH2 3.33Å; D153-R254 IonicContact OD2-CZ 2.76Å; D153-R254 IonicContact OD2-NE 2.72Å; D153-R254 PolarHBondContact OD2-NE 2.91Å; D153-R254 IonicContact OD2-NH2 3.1Å; D153-R254 PolarHBondContact OD2-NH2 3.29Å
154	T	94.9	Very high	95.6	Very high	91 Å²	91	41.6 Å²	41.6	56%	0.558	24%	0.24	S	C	*	.	H	α-helix	trans	-58.1	-41.8	-179.3	-46.7	0	0	0	0	112.4	H152 C156 N157 D158	H152-T154 PolarHBondContact O-N 3.28Å; T154-C156 VanDerWaalsContact C-N 3.33Å; T154-C156 PolarHBondContact O-N 3.37Å; T154-N157 WeakPolarHBondContact O-CB 3.37Å; T154-N157 PolarHBondContact O-N 2.85Å; T154-D158 WeakPolarHBondContact O-CB 3.32Å; T154-D158 PolarHBondContact O-N 2.68Å
155	E	94.9	Very high	95.9	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-42.6	-179.4	-179.1	-179.9	-159.5	0	0	111.1	D153 D158 A159 W195 L196 R254	D153-E155 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.94Å; D153-E155 PolarHBondContact OD1-N 3.03Å; E155-D158 PolarHBondContact O-N 2.65Å; E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 3.36Å; E155-W195 HydrophobicContact CG-CH2 4.24Å; E155-W195 HydrophobicContact CG-CZ2 4.5Å; E155-L196 HydrophobicContact CG-CD2 3.67Å; E155-R254 IonicContact OE2-CZ 2.99Å; E155-R254 IonicContact OE2-NH1 3.96Å; E155-R254 PolarHBondContact OE2-NH1 2.94Å; E155-R254 IonicContact OE2-NH2 3.83Å; E155-R254 PolarHBondContact OE2-NH2 3.19Å
156	C	95.8	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.8	-34.3	176.4	-161.5	0	0	0	0	112.7	I149 D153 T154 D158 A159 V160 L257	I149-C156 HydrophobicContact CG2-CB 3.94Å; D153-C156 HydrophobicContact CB-CB 4.02Å; D153-C156 VanDerWaalsContact CG-CB 3.45Å; D153-C156 PolarHBondContact O-N 2.92Å; D153-C156 PolarHBondContact OD1-N 2.92Å; T154-C156 VanDerWaalsContact C-N 3.33Å; T154-C156 PolarHBondContact O-N 3.37Å; C156-D158 VanDerWaalsContact C-N 3.34Å; C156-A159 PolarHBondContact O-N 2.83Å; C156-V160 WeakPolarHBondContact O-CG2 3.36Å; C156-V160 PolarHBondContact O-N 3.49Å; C156-L257 WeakPolarHBondContact SG-CD1 3.3Å
157	N	96.9	Very high	96.2	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-45	172.9	-71.8	-37.5	0	0	0	111.4	I134 K138 V151 D153 T154 A159 V160 I161	I134-N157 HydrophobicContact CD1-CB 3.63Å; K138-N157 WeakPolarHBondContact CE-OD1 3.47Å; K138-N157 PolarHBondContact NZ-OD1 3.05Å; V151-N157 PolarHBondContact O-ND2 3Å; D153-N157 WeakPolarHBondContact O-CB 3.44Å; D153-N157 PolarHBondContact O-N 3.37Å; D153-N157 PolarHBondContact O-ND2 3.41Å; T154-N157 WeakPolarHBondContact O-CB 3.37Å; T154-N157 PolarHBondContact O-N 2.85Å; N157-A159 VanDerWaalsContact C-N 3.35Å; N157-V160 WeakPolarHBondContact O-CB 3.49Å; N157-V160 PolarHBondContact O-N 3.01Å; N157-I161 PolarHBondContact O-N 2.77Å; N157-I161 VanDerWaalsContact O-N 3.17Å
158	D	96.9	Very high	96.3	Very high	52 Å²	52	32.1 Å²	32.1	28%	0.278	18%	0.18	S	C	.	.	H	α-helix	trans	-65.2	-40.2	178.4	-67.7	-18.6	0	0	0	111	W42 I127 T154 E155 C156 V160 I161 F162	W42-D158 HydrophobicContact CH2-CB 3.77Å; I127-D158 HydrophobicContact CD1-CB 4.06Å; I127-D158 HydrophobicContact CG2-CB 4.27Å; T154-D158 WeakPolarHBondContact O-CB 3.32Å; T154-D158 PolarHBondContact O-N 2.68Å; E155-D158 PolarHBondContact O-N 2.65Å; C156-D158 VanDerWaalsContact C-N 3.34Å; D158-V160 VanDerWaalsContact C-N 3.31Å; D158-V160 PolarHBondContact O-N 3.07Å; D158-I161 PolarHBondContact O-N 2.99Å; D158-F162 VanDerWaalsContact O-CB 3.29Å; D158-F162 WeakPolarHBondContact O-CB 3.43Å; D158-F162 PolarHBondContact O-N 3.46Å
159	A	96.8	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-37.8	173	0	0	0	0	0	112.6	E155 C156 N157 G163 L196 I199	E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 3.36Å; C156-A159 PolarHBondContact O-N 2.83Å; N157-A159 VanDerWaalsContact C-N 3.35Å; A159-G163 PolarHBondContact O-N 2.72Å; A159-L196 HydrophobicContact CB-CD2 4.23Å; A159-L196 WeakPolarHBondContact CB-O 3.49Å; A159-I199 HydrophobicContact CB-CD1 3.92Å
160	V	97.5	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-49.1	177.3	168.9	0	0	0	0	110.7	W137 K138 L141 I149 C156 N157 D158 A164 I199	W137-V160 HydrophobicContact CB-CG1 3.86Å; K138-V160 HydrophobicContact CG-CG1 4.41Å; L141-V160 HydrophobicContact CD2-CG2 4.48Å; I149-V160 HydrophobicContact CG1-CG2 3.88Å; C156-V160 WeakPolarHBondContact O-CG2 3.36Å; C156-V160 PolarHBondContact O-N 3.49Å; N157-V160 WeakPolarHBondContact O-CB 3.49Å; N157-V160 PolarHBondContact O-N 3.01Å; D158-V160 VanDerWaalsContact C-N 3.31Å; D158-V160 PolarHBondContact O-N 3.07Å; V160-A164 VanDerWaalsContact O-CB 3.29Å; V160-A164 WeakPolarHBondContact O-CB 3.27Å; V160-A164 PolarHBondContact O-N 3.17Å; V160-I199 HydrophobicContact CG2-CD1 3.91Å; V160-I199 HydrophobicContact CG2-CG1 4.26Å
161	I	97.5	Very high	96.8	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-48.4	179	-66.2	161.1	0	0	0	109.8	I127 A131 I134 W137 N157 D158 G163 A164 L165	I127-I161 HydrophobicContact CB-CG2 4.19Å; I127-I161 HydrophobicContact CG2-CB 3.84Å; I127-I161 HydrophobicContact CG2-CD1 3.75Å; I127-I161 HydrophobicContact CG2-CG1 4.43Å; I127-I161 HydrophobicContact CG2-CG2 3.64Å; A131-I161 HydrophobicContact CB-CD1 4.14Å; I134-I161 HydrophobicContact CB-CD1 4.38Å; I134-I161 HydrophobicContact CB-CG1 4.23Å; I134-I161 HydrophobicContact CD1-CD1 4.08Å; I134-I161 HydrophobicContact CD1-CG1 4.28Å; I134-I161 HydrophobicContact CG1-CD1 4.4Å; I134-I161 HydrophobicContact CG1-CG1 4.16Å; W137-I161 HydrophobicContact CE3-CG1 4.23Å; W137-I161 HydrophobicContact CZ3-CB 4.1Å; W137-I161 HydrophobicContact CZ3-CG1 4.05Å; W137-I161 HydrophobicContact CZ3-CG2 3.89Å; N157-I161 PolarHBondContact O-N 2.77Å; N157-I161 VanDerWaalsContact O-N 3.17Å; D158-I161 PolarHBondContact O-N 2.99Å; I161-G163 PolarHBondContact O-N 3.37Å; I161-A164 PolarHBondContact O-N 3.23Å; I161-L165 HydrophobicContact CG2-CD1 4.02Å; I161-L165 HydrophobicContact CG2-CG 4.4Å; I161-L165 VanDerWaalsContact O-CG 3.29Å; I161-L165 WeakPolarHBondContact O-CG 3.32Å; I161-L165 PolarHBondContact O-N 3.18Å
162	F	98	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-49.8	179.6	-179.1	-127.5	0	0	0	111.8	V40 W42 G74 F125 I127 D158 A164 L165 I166 T197	V40-F162 HydrophobicContact CG1-CE1 4.17Å; V40-F162 HydrophobicContact CG1-CZ 4.16Å; W42-F162 AromaticContact CE3-CD1 3.74Å; W42-F162 HydrophobicContact CE3-CD1 3.74Å; W42-F162 HydrophobicContact CE3-CE1 4.15Å; W42-F162 HydrophobicContact CE3-CG 4.3Å; W42-F162 HydrophobicContact CZ3-CB 3.93Å; W42-F162 AromaticContact CZ3-CD1 3.89Å; W42-F162 HydrophobicContact CZ3-CD1 3.89Å; W42-F162 HydrophobicContact CZ3-CG 4.01Å; G74-F162 VanDerWaalsContact C-CE2 3.4Å; F125-F162 HydrophobicContact CB-CD2 4.28Å; F125-F162 HydrophobicContact CB-CE2 4.38Å; F125-F162 HydrophobicContact CD2-CD2 4.48Å; F125-F162 AromaticContact CD2-CE2 3.88Å; F125-F162 HydrophobicContact CD2-CE2 3.88Å; F125-F162 HydrophobicContact CG-CE2 4.47Å; I127-F162 HydrophobicContact CD1-CB 4.13Å; I127-F162 HydrophobicContact CG1-CB 4.42Å; D158-F162 VanDerWaalsContact O-CB 3.29Å; D158-F162 WeakPolarHBondContact O-CB 3.43Å; D158-F162 PolarHBondContact O-N 3.46Å; F162-A164 VanDerWaalsContact C-N 3.34Å; F162-A164 PolarHBondContact O-N 2.98Å; F162-L165 PolarHBondContact O-N 3.2Å; F162-I166 HydrophobicContact CD1-CD1 3.69Å; F162-I166 HydrophobicContact CD2-CD1 3.99Å; F162-I166 HydrophobicContact CD2-CG1 4.32Å; F162-I166 HydrophobicContact CE1-CD1 3.48Å; F162-I166 VanDerWaalsContact CE1-CD1 3.48Å; F162-I166 HydrophobicContact CE2-CD1 3.77Å; F162-I166 HydrophobicContact CE2-CG1 4.05Å; F162-I166 HydrophobicContact CG-CD1 3.95Å; F162-I166 HydrophobicContact CZ-CD1 3.52Å; F162-I166 HydrophobicContact CZ-CG1 4.2Å; F162-I166 WeakPolarHBondContact O-CD1 3.31Å; F162-I166 VanDerWaalsContact O-CG1 3.31Å; F162-I166 WeakPolarHBondContact O-CG1 3.45Å; F162-I166 PolarHBondContact O-N 2.9Å; F162-T197 HydrophobicContact CE1-CG2 4.11Å
163	G	97.9	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-42.1	176.6	0	0	0	0	0	113	A159 I161 L165 I166 A167 G200	A159-G163 PolarHBondContact O-N 2.72Å; I161-G163 PolarHBondContact O-N 3.37Å; G163-L165 PolarHBondContact O-N 2.76Å; G163-I166 PolarHBondContact O-N 2.64Å; G163-A167 PolarHBondContact O-N 3.24Å; G163-G200 VanDerWaalsContact CA-N 3.29Å; G163-G200 VanDerWaalsContact O-CA 3.29Å; G163-G200 WeakPolarHBondContact O-CA 3.36Å
164	A	97.7	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-39.9	177.1	0	0	0	0	0	113	W137 V160 I161 F162 W168 F203	W137-A164 HydrophobicContact CB-CB 4.3Å; W137-A164 HydrophobicContact CD2-CB 3.29Å; W137-A164 VanDerWaalsContact CE2-CB 3.43Å; W137-A164 HydrophobicContact CE3-CB 3.62Å; W137-A164 HydrophobicContact CG-CB 3.63Å; W137-A164 HydrophobicContact CH2-CB 4.07Å; W137-A164 HydrophobicContact CZ2-CB 3.81Å; W137-A164 HydrophobicContact CZ3-CB 4.01Å; V160-A164 VanDerWaalsContact O-CB 3.29Å; V160-A164 WeakPolarHBondContact O-CB 3.27Å; V160-A164 PolarHBondContact O-N 3.17Å; I161-A164 PolarHBondContact O-N 3.23Å; F162-A164 VanDerWaalsContact C-N 3.34Å; F162-A164 PolarHBondContact O-N 2.98Å; A164-W168 WeakPolarHBondContact O-CB 3.44Å; A164-W168 PolarHBondContact O-N 3.42Å; A164-F203 HydrophobicContact CB-CD2 4.18Å; A164-F203 HydrophobicContact CB-CE2 3.93Å
165	L	98.1	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-41.5	174.8	-71.1	178.8	0	0	0	112	M102 T107 F125 W137 I161 F162 G163 W168 F169	M102-L165 HydrophobicContact CE-CD2 3.93Å; T107-L165 HydrophobicContact CG2-CD1 4.27Å; T107-L165 HydrophobicContact CG2-CD2 3.7Å; F125-L165 HydrophobicContact CB-CD1 4.05Å; F125-L165 HydrophobicContact CD1-CB 3.93Å; F125-L165 HydrophobicContact CD1-CD1 4.44Å; F125-L165 HydrophobicContact CE1-CB 4.46Å; F125-L165 HydrophobicContact CG-CB 4.41Å; W137-L165 HydrophobicContact CH2-CD2 4.08Å; W137-L165 HydrophobicContact CH2-CG 4.32Å; I161-L165 HydrophobicContact CG2-CD1 4.02Å; I161-L165 HydrophobicContact CG2-CG 4.4Å; I161-L165 VanDerWaalsContact O-CG 3.29Å; I161-L165 WeakPolarHBondContact O-CG 3.32Å; I161-L165 PolarHBondContact O-N 3.18Å; F162-L165 PolarHBondContact O-N 3.2Å; G163-L165 PolarHBondContact O-N 2.76Å; L165-W168 HydrophobicContact CD2-CE3 4.03Å; L165-W168 HydrophobicContact CD2-CZ3 4.31Å; L165-W168 PolarHBondContact O-N 2.93Å; L165-F169 WeakPolarHBondContact O-CB 3.44Å; L165-F169 PolarHBondContact O-N 3.46Å
166	I	98.3	Very high	97.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-49.9	175.3	-67.7	154.8	0	0	0	110.8	V40 F73 F162 G163 W168 F169 L170 F192	V40-I166 HydrophobicContact CG1-CD1 3.35Å; V40-I166 HydrophobicContact CG1-CG1 4.15Å; V40-I166 HydrophobicContact CG2-CG2 4.35Å; F73-I166 HydrophobicContact CD2-CG1 4.24Å; F73-I166 HydrophobicContact CD2-CG2 4.02Å; F73-I166 HydrophobicContact CE2-CG2 4.33Å; F162-I166 HydrophobicContact CD1-CD1 3.69Å; F162-I166 HydrophobicContact CD2-CD1 3.99Å; F162-I166 HydrophobicContact CD2-CG1 4.32Å; F162-I166 HydrophobicContact CE1-CD1 3.48Å; F162-I166 VanDerWaalsContact CE1-CD1 3.48Å; F162-I166 HydrophobicContact CE2-CD1 3.77Å; F162-I166 HydrophobicContact CE2-CG1 4.05Å; F162-I166 HydrophobicContact CG-CD1 3.95Å; F162-I166 HydrophobicContact CZ-CD1 3.52Å; F162-I166 HydrophobicContact CZ-CG1 4.2Å; F162-I166 WeakPolarHBondContact O-CD1 3.31Å; F162-I166 VanDerWaalsContact O-CG1 3.31Å; F162-I166 WeakPolarHBondContact O-CG1 3.45Å; F162-I166 PolarHBondContact O-N 2.9Å; G163-I166 PolarHBondContact O-N 2.64Å; I166-W168 VanDerWaalsContact C-N 3.27Å; I166-W168 PolarHBondContact O-N 2.81Å; I166-F169 PolarHBondContact O-N 2.71Å; I166-L170 HydrophobicContact CG2-CD1 3.86Å; I166-L170 HydrophobicContact CG2-CG 4.29Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 WeakPolarHBondContact O-CG 3.26Å; I166-L170 PolarHBondContact O-N 2.99Å; I166-F192 HydrophobicContact CG2-CE1 3.85Å; I166-F192 HydrophobicContact CG2-CZ 4.2Å
167	A	98.2	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-35.2	-179.7	0	0	0	0	0	112	G163 K171 F203 L209	G163-A167 PolarHBondContact O-N 3.24Å; A167-K171 WeakPolarHBondContact O-CB 3.46Å; A167-K171 PolarHBondContact O-N 3.31Å; A167-K171 VanDerWaalsContact O-N 3.13Å; A167-F203 HydrophobicContact CB-CB 3.54Å; A167-F203 HydrophobicContact CB-CD2 4.49Å; A167-L209 WeakPolarHBondContact O-CD1 3.39Å
168	W	97.8	Very high	97.4	Very high	30 Å²	30	22.8 Å²	22.8	11%	0.114	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-48.3	172.9	-177.8	15	0	0	0	111.5	M102 H105 T107 R133 A164 L165 I166 L170 K171 E172	M102-W168 HydrophobicContact CE-CD2 4.08Å; M102-W168 HydrophobicContact CE-CE3 3.75Å; M102-W168 HydrophobicContact CE-CZ3 4.17Å; M102-W168 HydrophobicContact CG-CZ2 4.41Å; H105-W168 HydrophobicContact CB-CH2 3.59Å; H105-W168 HydrophobicContact CB-CZ2 4.02Å; H105-W168 AromaticContact CD2-CZ2 3.95Å; T107-W168 WeakPolarHBondContact OG1-CZ3 3.44Å; R133-W168 VanDerWaalsContact NH1-CZ3 3.34Å; A164-W168 WeakPolarHBondContact O-CB 3.44Å; A164-W168 PolarHBondContact O-N 3.42Å; L165-W168 HydrophobicContact CD2-CE3 4.03Å; L165-W168 HydrophobicContact CD2-CZ3 4.31Å; L165-W168 PolarHBondContact O-N 2.93Å; I166-W168 VanDerWaalsContact C-N 3.27Å; I166-W168 PolarHBondContact O-N 2.81Å; W168-L170 VanDerWaalsContact C-N 3.34Å; W168-L170 PolarHBondContact O-N 2.93Å; W168-K171 WeakPolarHBondContact O-CB 3.39Å; W168-K171 PolarHBondContact O-N 3.42Å; W168-E172 VanDerWaalsContact CD1-CG 3.5Å; W168-E172 PolarHBondContact NE1-OE1 2.97Å; W168-E172 WeakPolarHBondContact O-CG 3.29Å; W168-E172 PolarHBondContact O-N 3.31Å
169	F	98.5	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.1	-48.4	176.4	-172.4	-73.5	0	0	0	111.4	F38 F73 L95 T98 I99 M102 V123 F125 L165 I166 K171 E172 F173	F38-F169 HydrophobicContact CE1-CE1 4.11Å; F38-F169 HydrophobicContact CZ-CE1 4.44Å; F73-F169 HydrophobicContact CE1-CD1 4.32Å; F73-F169 HydrophobicContact CE1-CE1 4.1Å; F73-F169 HydrophobicContact CE1-CZ 4.4Å; F73-F169 AromaticContact CE2-CD1 3.95Å; F73-F169 HydrophobicContact CE2-CD1 3.95Å; F73-F169 HydrophobicContact CE2-CE1 4.47Å; F73-F169 HydrophobicContact CE2-CG 4.41Å; F73-F169 AromaticContact CZ-CD1 3.38Å; F73-F169 HydrophobicContact CZ-CD1 3.38Å; F73-F169 AromaticContact CZ-CE1 3.49Å; F73-F169 HydrophobicContact CZ-CE1 3.49Å; F73-F169 VanDerWaalsContact CZ-CE1 3.49Å; F73-F169 HydrophobicContact CZ-CG 4.05Å; F73-F169 HydrophobicContact CZ-CZ 4.19Å; L95-F169 HydrophobicContact CD2-CE1 4.03Å; L95-F169 HydrophobicContact CD2-CZ 3.77Å; T98-F169 HydrophobicContact CG2-CD1 4.02Å; T98-F169 HydrophobicContact CG2-CD2 3.72Å; T98-F169 HydrophobicContact CG2-CE1 3.93Å; T98-F169 HydrophobicContact CG2-CE2 3.66Å; T98-F169 HydrophobicContact CG2-CG 3.9Å; T98-F169 HydrophobicContact CG2-CZ 3.75Å; I99-F169 HydrophobicContact CG1-CE2 3.77Å; I99-F169 HydrophobicContact CG1-CZ 4.3Å; M102-F169 HydrophobicContact SD-CB 3.82Å; M102-F169 HydrophobicContact SD-CD2 3.56Å; M102-F169 VanDerWaalsContact SD-CD2 3.56Å; M102-F169 HydrophobicContact SD-CG 4.13Å; V123-F169 HydrophobicContact CG1-CD2 4.37Å; V123-F169 HydrophobicContact CG1-CE2 3.93Å; V123-F169 HydrophobicContact CG2-CE2 4.44Å; V123-F169 HydrophobicContact CG2-CZ 4.31Å; F125-F169 HydrophobicContact CE1-CB 3.95Å; F125-F169 AromaticContact CE1-CD2 3.74Å; F125-F169 HydrophobicContact CE1-CD2 3.74Å; F125-F169 HydrophobicContact CE1-CG 4.16Å; F125-F169 HydrophobicContact CZ-CB 3.91Å; F125-F169 AromaticContact CZ-CD2 3.69Å; F125-F169 HydrophobicContact CZ-CD2 3.69Å; F125-F169 HydrophobicContact CZ-CE2 4.44Å; F125-F169 AromaticContact CZ-CG 3.89Å; F125-F169 HydrophobicContact CZ-CG 3.89Å; L165-F169 WeakPolarHBondContact O-CB 3.44Å; L165-F169 PolarHBondContact O-N 3.46Å; I166-F169 PolarHBondContact O-N 2.71Å; F169-K171 VanDerWaalsContact C-N 3.28Å; F169-K171 PolarHBondContact O-N 2.87Å; F169-E172 PolarHBondContact O-N 3.48Å; F169-F173 HydrophobicContact CD1-CB 4.2Å; F169-F173 HydrophobicContact CE1-CB 4.04Å; F169-F173 HydrophobicContact CE1-CD2 4.43Å; F169-F173 HydrophobicContact CE1-CG 4.36Å; F169-F173 VanDerWaalsContact O-CB 3.24Å; F169-F173 WeakPolarHBondContact O-CB 3.23Å; F169-F173 PolarHBondContact O-N 3.46Å
170	L	98.5	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-37.5	-179.6	-72.5	173.9	0	0	0	112.1	F38 F73 I166 W168 A174 A190 F192 L209	F38-L170 HydrophobicContact CB-CD2 4.25Å; F38-L170 HydrophobicContact CD2-CD2 3.61Å; F38-L170 HydrophobicContact CE2-CD2 4.1Å; F38-L170 HydrophobicContact CG-CD2 3.92Å; F73-L170 HydrophobicContact CE2-CD2 4.19Å; F73-L170 HydrophobicContact CE2-CG 4.41Å; I166-L170 HydrophobicContact CG2-CD1 3.86Å; I166-L170 HydrophobicContact CG2-CG 4.29Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 WeakPolarHBondContact O-CG 3.26Å; I166-L170 PolarHBondContact O-N 2.99Å; W168-L170 VanDerWaalsContact C-N 3.34Å; W168-L170 PolarHBondContact O-N 2.93Å; L170-A174 VanDerWaalsContact O-CB 3.28Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.19Å; L170-A190 HydrophobicContact CD1-CB 3.92Å; L170-A190 HydrophobicContact CD2-CB 4.44Å; L170-F192 HydrophobicContact CD1-CZ 4.18Å; L170-L209 HydrophobicContact CB-CD1 4.18Å
171	K	98.1	Very high	96.6	Very high	87 Å²	87	32.4 Å²	32.4	38%	0.378	15%	0.146	S	C	.	.	H	α-helix	trans	-63.5	-55.9	175.2	-178.2	-168.3	171	-164.4	0	111.1	A167 W168 F169 F173 A174 E175 L209	A167-K171 WeakPolarHBondContact O-CB 3.46Å; A167-K171 PolarHBondContact O-N 3.31Å; A167-K171 VanDerWaalsContact O-N 3.13Å; W168-K171 WeakPolarHBondContact O-CB 3.39Å; W168-K171 PolarHBondContact O-N 3.42Å; F169-K171 VanDerWaalsContact C-N 3.28Å; F169-K171 PolarHBondContact O-N 2.87Å; K171-F173 VanDerWaalsContact C-N 3.28Å; K171-F173 PolarHBondContact O-N 3.49Å; K171-A174 PolarHBondContact O-N 3.44Å; K171-E175 WeakPolarHBondContact CE-OE1 3.13Å; K171-E175 WeakPolarHBondContact O-CG 3.47Å; K171-E175 PolarHBondContact O-N 2.75Å; K171-L209 HydrophobicContact CB-CD1 4.09Å; K171-L209 HydrophobicContact CB-CD2 3.78Å; K171-L209 HydrophobicContact CD-CD2 4.48Å; K171-L209 HydrophobicContact CG-CD2 3.88Å
172	E	97.7	Very high	95.9	Very high	41 Å²	41	37.1 Å²	37.1	19%	0.192	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-41.7	-179.5	-67.5	-70.2	164	0	0	111	T98 W168 F169 E175 N176	T98-E172 HydrophobicContact CG2-CB 3.77Å; W168-E172 VanDerWaalsContact CD1-CG 3.5Å; W168-E172 PolarHBondContact NE1-OE1 2.97Å; W168-E172 WeakPolarHBondContact O-CG 3.29Å; W168-E172 PolarHBondContact O-N 3.31Å; F169-E172 PolarHBondContact O-N 3.48Å; E172-E175 PolarHBondContact O-N 2.99Å; E172-N176 WeakPolarHBondContact O-CB 3.36Å; E172-N176 PolarHBondContact O-N 3.39Å; E172-N176 PolarHBondContact O-ND2 2.82Å
173	F	98.1	Very high	95.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-46.4	177.1	-177.8	-100.4	0	0	0	111.9	F36 F38 A94 L95 T98 F169 K171 E175 N176 V177 I188	F36-F173 HydrophobicContact CB-CE1 4.26Å; F36-F173 HydrophobicContact CD1-CE1 4.44Å; F36-F173 AromaticContact CD1-CZ 3.95Å; F36-F173 HydrophobicContact CD1-CZ 3.95Å; F36-F173 HydrophobicContact CD2-CE1 4.1Å; F36-F173 HydrophobicContact CD2-CZ 4.06Å; F36-F173 HydrophobicContact CE1-CZ 4.06Å; F36-F173 HydrophobicContact CE2-CZ 4.15Å; F36-F173 HydrophobicContact CG-CE1 4.02Å; F36-F173 AromaticContact CG-CZ 3.95Å; F36-F173 HydrophobicContact CG-CZ 3.95Å; F36-F173 HydrophobicContact CZ-CZ 4.14Å; F38-F173 AromaticContact CE2-CD1 3.54Å; F38-F173 HydrophobicContact CE2-CD1 3.54Å; F38-F173 AromaticContact CE2-CE1 3.5Å; F38-F173 HydrophobicContact CE2-CE1 3.5Å; F38-F173 VanDerWaalsContact CE2-CE1 3.5Å; F38-F173 HydrophobicContact CE2-CG 4.36Å; F38-F173 HydrophobicContact CE2-CZ 4.29Å; F38-F173 AromaticContact CZ-CD1 3.46Å; F38-F173 HydrophobicContact CZ-CD1 3.46Å; F38-F173 VanDerWaalsContact CZ-CD1 3.46Å; F38-F173 HydrophobicContact CZ-CD2 4.24Å; F38-F173 AromaticContact CZ-CE1 3.39Å; F38-F173 HydrophobicContact CZ-CE1 3.39Å; F38-F173 HydrophobicContact CZ-CE2 4.19Å; F38-F173 AromaticContact CZ-CG 3.9Å; F38-F173 HydrophobicContact CZ-CG 3.9Å; F38-F173 AromaticContact CZ-CZ 3.77Å; F38-F173 HydrophobicContact CZ-CZ 3.77Å; A94-F173 HydrophobicContact CB-CD2 4.12Å; A94-F173 HydrophobicContact CB-CE2 3.7Å; A94-F173 HydrophobicContact CB-CZ 4.44Å; L95-F173 HydrophobicContact CD2-CD2 3.78Å; L95-F173 HydrophobicContact CD2-CE2 3.6Å; L95-F173 HydrophobicContact CD2-CZ 4.45Å; L95-F173 HydrophobicContact CG-CD2 4.3Å; L95-F173 HydrophobicContact CG-CE2 3.74Å; T98-F173 HydrophobicContact CG2-CB 4.22Å; T98-F173 VanDerWaalsContact OG1-CA 3.28Å; T98-F173 WeakPolarHBondContact OG1-CA 3.23Å; T98-F173 PolarHBondContact OG1-N 3.44Å; F169-F173 HydrophobicContact CD1-CB 4.2Å; F169-F173 HydrophobicContact CE1-CB 4.04Å; F169-F173 HydrophobicContact CE1-CD2 4.43Å; F169-F173 HydrophobicContact CE1-CG 4.36Å; F169-F173 VanDerWaalsContact O-CB 3.24Å; F169-F173 WeakPolarHBondContact O-CB 3.23Å; F169-F173 PolarHBondContact O-N 3.46Å; K171-F173 VanDerWaalsContact C-N 3.28Å; K171-F173 PolarHBondContact O-N 3.49Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 2.62Å; F173-N176 PolarHBondContact O-N 2.87Å; F173-V177 HydrophobicContact CD1-CG2 3.94Å; F173-V177 HydrophobicContact CD2-CG2 4.37Å; F173-V177 HydrophobicContact CE1-CG2 3.44Å; F173-V177 VanDerWaalsContact CE1-CG2 3.44Å; F173-V177 HydrophobicContact CE2-CG2 3.92Å; F173-V177 HydrophobicContact CG-CG2 4.38Å; F173-V177 HydrophobicContact CZ-CG2 3.44Å; F173-V177 VanDerWaalsContact CZ-CG2 3.44Å; F173-V177 WeakPolarHBondContact O-CB 3.31Å; F173-V177 WeakPolarHBondContact O-CG2 3.37Å; F173-V177 PolarHBondContact O-N 3.21Å; F173-I188 HydrophobicContact CD1-CD1 4.06Å; F173-I188 HydrophobicContact CE1-CD1 4.16Å; F173-I188 HydrophobicContact CE1-CG1 4.48Å
174	A	96.9	Very high	94.5	Very high	9 Å²	9	46.6 Å²	46.6	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-38.2	177.6	0	0	0	0	0	112.4	L170 K171 R178 I188 P210	L170-A174 VanDerWaalsContact O-CB 3.28Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.19Å; K171-A174 PolarHBondContact O-N 3.44Å; A174-R178 WeakPolarHBondContact O-CB 3.45Å; A174-R178 PolarHBondContact O-N 3.07Å; A174-I188 HydrophobicContact CB-CD1 3.8Å; A174-P210 HydrophobicContact CB-CG 3.85Å
175	E	96.6	Very high	94	Very high	72 Å²	72	49.4 Å²	49.4	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-66.5	-43.7	175.6	-70.6	175.9	177	0	0	111.9	K171 E172 F173 R178 E179	K171-E175 WeakPolarHBondContact CE-OE1 3.13Å; K171-E175 WeakPolarHBondContact O-CG 3.47Å; K171-E175 PolarHBondContact O-N 2.75Å; E172-E175 PolarHBondContact O-N 2.99Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 2.62Å; E175-R178 PolarHBondContact O-N 2.7Å; E175-E179 PolarHBondContact O-N 3.21Å; E175-E179 VanDerWaalsContact O-N 3.16Å
176	N	96.8	Very high	93.8	Very high	18 Å²	18	49.7 Å²	49.7	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-40.7	176.2	-79.4	-70.4	0	0	0	112.5	A94 R97 T98 E172 F173 R178 E179 L180	A94-N176 HydrophobicContact CB-CB 4.02Å; R97-N176 WeakPolarHBondContact CB-OD1 3.1Å; R97-N176 WeakPolarHBondContact CD-OD1 3.47Å; T98-N176 PolarHBondContact OG1-ND2 3.13Å; E172-N176 WeakPolarHBondContact O-CB 3.36Å; E172-N176 PolarHBondContact O-N 3.39Å; E172-N176 PolarHBondContact O-ND2 2.82Å; F173-N176 PolarHBondContact O-N 2.87Å; N176-R178 VanDerWaalsContact C-N 3.34Å; N176-E179 PolarHBondContact O-N 3.05Å; N176-L180 WeakPolarHBondContact O-CB 3.44Å; N176-L180 VanDerWaalsContact O-CG 3.3Å; N176-L180 WeakPolarHBondContact O-CG 3.31Å; N176-L180 PolarHBondContact O-N 3.44Å
177	V	95.3	Very high	93.6	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-46.2	174.8	164.6	0	0	0	0	110.3	F36 A94 F173 E179 L180 E181 P186	F36-V177 HydrophobicContact CE2-CG2 4.33Å; A94-V177 HydrophobicContact CB-CG2 3.84Å; F173-V177 HydrophobicContact CD1-CG2 3.94Å; F173-V177 HydrophobicContact CD2-CG2 4.37Å; F173-V177 HydrophobicContact CE1-CG2 3.44Å; F173-V177 VanDerWaalsContact CE1-CG2 3.44Å; F173-V177 HydrophobicContact CE2-CG2 3.92Å; F173-V177 HydrophobicContact CG-CG2 4.38Å; F173-V177 HydrophobicContact CZ-CG2 3.44Å; F173-V177 VanDerWaalsContact CZ-CG2 3.44Å; F173-V177 WeakPolarHBondContact O-CB 3.31Å; F173-V177 WeakPolarHBondContact O-CG2 3.37Å; F173-V177 PolarHBondContact O-N 3.21Å; V177-E179 PolarHBondContact O-N 3.31Å; V177-L180 PolarHBondContact O-N 3.41Å; V177-L180 VanDerWaalsContact O-N 3.17Å; V177-E181 HydrophobicContact CG1-CB 4.37Å; V177-E181 HydrophobicContact CG1-CG 4.3Å; V177-E181 WeakPolarHBondContact O-CB 3.44Å; V177-E181 PolarHBondContact O-N 3Å; V177-P186 HydrophobicContact CG1-CG 3.41Å; V177-P186 VanDerWaalsContact CG1-CG 3.41Å
178	R	93.6	Very high	93.6	Very high	161 Å²	161	50.8 Å²	50.8	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-59.6	-32.8	178	-174.1	-179.4	63.8	-156.5	-5.2	113.3	A174 E175 N176	A174-R178 WeakPolarHBondContact O-CB 3.45Å; A174-R178 PolarHBondContact O-N 3.07Å; E175-R178 PolarHBondContact O-N 2.7Å; N176-R178 VanDerWaalsContact C-N 3.34Å
179	E	94.2	Very high	93.6	Very high	136 Å²	136	49.4 Å²	49.4	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-77.2	-37.2	176.8	-169.4	-169.5	134.9	0	0	112.6	R97 E175 N176 V177	R97-E179 IonicContact CZ-OE1 2.83Å; R97-E179 IonicContact NH1-OE1 3.96Å; R97-E179 PolarHBondContact NH1-OE1 3.34Å; R97-E179 IonicContact NH1-OE2 3.33Å; E175-E179 PolarHBondContact O-N 3.21Å; E175-E179 VanDerWaalsContact O-N 3.16Å; N176-E179 PolarHBondContact O-N 3.05Å; V177-E179 PolarHBondContact O-N 3.31Å
180	L	93.3	Very high	93.6	Very high	70 Å²	70	49.4 Å²	49.4	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-94.1	-28	-169.4	-70	171	0	0	0	114.3	E93 A94 N176 V177	E93-L180 HydrophobicContact CB-CD1 4.13Å; E93-L180 HydrophobicContact CG-CD1 3.92Å; E93-L180 HydrophobicContact CG-CD2 4.44Å; A94-L180 HydrophobicContact CB-CD1 3.93Å; N176-L180 WeakPolarHBondContact O-CB 3.44Å; N176-L180 VanDerWaalsContact O-CG 3.3Å; N176-L180 WeakPolarHBondContact O-CG 3.31Å; N176-L180 PolarHBondContact O-N 3.44Å; V177-L180 PolarHBondContact O-N 3.41Å; V177-L180 VanDerWaalsContact O-N 3.17Å
181	E	87.4	Confident	93.6	Very high	49 Å²	49	49.4 Å²	49.4	23%	0.229	25%	0.246	C	C	.	.	S	Bend	trans	-105	143.1	-174.3	-69.4	-92.7	-167.2	0	0	111.5	R34 R69 V177 Q185 P186	R34-E181 IonicContact CZ-OE2 3.69Å; R34-E181 IonicContact NE-OE2 3.8Å; R34-E181 IonicContact NH2-OE2 2.77Å; R34-E181 PolarHBondContact NH2-OE2 3.34Å; R69-E181 IonicContact NH1-OE1 3.78Å; V177-E181 HydrophobicContact CG1-CB 4.37Å; V177-E181 HydrophobicContact CG1-CG 4.3Å; V177-E181 WeakPolarHBondContact O-CB 3.44Å; V177-E181 PolarHBondContact O-N 3Å; E181-Q185 PolarHBondContact O-NE2 2.84Å; E181-P186 HydrophobicContact CB-CG 4.26Å; E181-P186 HydrophobicContact CG-CG 4.22Å
182	T	83.5	Confident	93.7	Very high	104 Å²	104	45.2 Å²	45.2	64%	0.638	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-78.6	149.8	179.6	55.7	0	0	0	0	112	R34 P184	R34-T182 PolarHBondContact NH1-O 3.27Å; R34-T182 PolarHBondContact NH2-O 3.27Å; R34-T182 VanDerWaalsContact NH2-O 3.13Å; T182-P184 CarbonylContact O-C 3.47Å
183	D	82.9	Confident	93.7	Very high	130 Å²	130	43.3 Å²	43.3	70%	0.695	22%	0.219	S	C	*	.	S	Bend	trans	-62.2	143.1	172	-72.7	-25.2	0	0	0	112.1	Q185	D183-Q185 WeakPolarHBondContact OD1-CG 3.08Å; D183-Q185 PolarHBondContact OD1-NE2 3.02Å
184	P	82.6	Confident	93.7	Very high	68 Å²	68	44.4 Å²	44.4	44%	0.442	22%	0.224	S	C	.	.	S	Bend	cis	-70	142.5	-4.1	30.2	-35.7	0	0	0	112.1	V31 R34 T182	V31-P184 HydrophobicContact CG2-CB 4.25Å; V31-P184 HydrophobicContact CG2-CG 3.46Å; V31-P184 VanDerWaalsContact CG2-CG 3.46Å; R34-P184 PolarHBondContact NH1-O 3.21Å; T182-P184 CarbonylContact O-C 3.47Å
185	Q	88.3	Confident	93.7	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-61.2	140.2	-178.9	-67.9	-58.3	-44.3	0	0	111.4	E181 D183	E181-Q185 PolarHBondContact O-NE2 2.84Å; D183-Q185 WeakPolarHBondContact OD1-CG 3.08Å; D183-Q185 PolarHBondContact OD1-NE2 3.02Å
186	P	92.5	Very high	93.7	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.039	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.3	133.6	177.2	27.8	-33.1	0	0	0	110.1	R34 F36 V177 E181	R34-P186 HydrophobicContact CB-CB 4.02Å; R34-P186 VanDerWaalsContact O-CB 3.25Å; R34-P186 WeakPolarHBondContact O-CB 3.45Å; F36-P186 HydrophobicContact CD2-CB 4.3Å; F36-P186 HydrophobicContact CD2-CG 4.35Å; F36-P186 HydrophobicContact CE2-CB 4.32Å; F36-P186 HydrophobicContact CE2-CG 4.12Å; V177-P186 HydrophobicContact CG1-CG 3.41Å; V177-P186 VanDerWaalsContact CG1-CG 3.41Å; E181-P186 HydrophobicContact CB-CG 4.26Å; E181-P186 HydrophobicContact CG-CG 4.22Å
187	P	95	Very high	93.8	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.078	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.3	139.7	178.3	-20	30.9	0	0	0	111.6	V31 K35 F36 L626 L633	V31-P187 HydrophobicContact CG1-CG 3.85Å; V31-P187 WeakPolarHBondContact O-CD 3.31Å; K35-P187 CarbonylContact C-O 3.31Å; K35-P187 VanDerWaalsContact CA-O 3.26Å; K35-P187 WeakPolarHBondContact CA-O 3.19Å; K35-P187 HydrophobicContact CB-CB 4.26Å; K35-P187 HydrophobicContact CB-CG 4.45Å; F36-P187 PolarHBondContact N-O 2.87Å; P187-L626 HydrophobicContact CB-CD1 4.23Å; P187-L626 HydrophobicContact CB-CD2 3.56Å; P187-L633 HydrophobicContact CG-CD1 4.06Å
188	I	97.5	Very high	93.8	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.7	176	-55.8	172.9	0	0	0	108.6	F38 F173 A174 V211 A212	F38-I188 HydrophobicContact CD2-CG2 3.81Å; F38-I188 HydrophobicContact CE2-CG2 3.73Å; F173-I188 HydrophobicContact CD1-CD1 4.06Å; F173-I188 HydrophobicContact CE1-CD1 4.16Å; F173-I188 HydrophobicContact CE1-CG1 4.48Å; A174-I188 HydrophobicContact CB-CD1 3.8Å; I188-V211 HydrophobicContact CB-CG2 4.21Å; I188-V211 HydrophobicContact CG2-CB 4.48Å; I188-V211 HydrophobicContact CG2-CG1 4.06Å; I188-V211 HydrophobicContact CG2-CG2 3.88Å; I188-V211 WeakPolarHBondContact O-CA 3.46Å; I188-A212 PolarHBondContact O-N 3.29Å
189	I	98.5	Very high	94	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.8	179.3	-48.6	177.3	0	0	0	108.6	K35 F36 V37 F38 A212 V214 R622 L626	K35-I189 HydrophobicContact CD-CD1 4.36Å; F36-I189 PolarHBondContact O-N 3.3Å; V37-I189 WeakPolarHBondContact CA-O 3.31Å; V37-I189 HydrophobicContact CG2-CB 4.43Å; V37-I189 HydrophobicContact CG2-CD1 4.34Å; F38-I189 PolarHBondContact N-O 3.21Å; I189-A212 CarbonylContact C-O 3.39Å; I189-A212 WeakPolarHBondContact CA-O 3.34Å; I189-A212 HydrophobicContact CG1-CB 4.44Å; I189-V214 HydrophobicContact CG2-CG2 4.45Å; I189-R622 HydrophobicContact CD1-CB 3.86Å; I189-R622 HydrophobicContact CD1-CG 4.38Å; I189-R622 HydrophobicContact CG2-CB 4.45Å; I189-R622 HydrophobicContact CG2-CG 4.14Å; I189-L626 HydrophobicContact CD1-CD1 3.72Å; I189-L626 HydrophobicContact CD1-CD2 4.06Å; I189-L626 HydrophobicContact CD1-CG 3.69Å; I189-L626 HydrophobicContact CG1-CD1 4.38Å; I189-L626 HydrophobicContact CG1-CD2 3.82Å; I189-L626 HydrophobicContact CG1-CG 4Å
190	A	98.8	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118	171.3	0	0	0	0	0	110.4	F38 L170 F192 V211 A212 T213 V214	F38-A190 CarbonylContact O-C 3.58Å; F38-A190 VanDerWaalsContact O-CA 3.3Å; F38-A190 WeakPolarHBondContact O-CA 3.33Å; L170-A190 HydrophobicContact CD1-CB 3.92Å; L170-A190 HydrophobicContact CD2-CB 4.44Å; A190-F192 HydrophobicContact CB-CD2 4.26Å; A190-F192 HydrophobicContact CB-CE2 3.43Å; A190-F192 VanDerWaalsContact CB-CE2 3.43Å; A190-F192 HydrophobicContact CB-CZ 3.87Å; A190-V211 HydrophobicContact CB-CG1 3.57Å; A190-A212 PolarHBondContact N-O 3.29Å; A190-T213 WeakPolarHBondContact O-CA 3.23Å; A190-V214 PolarHBondContact O-N 3.04Å
191	H	98.8	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.6	-179	-163.8	148.4	0	0	0	109.2	F38 E39 V40 H193 V214 T216 Y618	F38-H191 PolarHBondContact O-N 3.23Å; E39-H191 CarbonylContact C-O 3.51Å; E39-H191 WeakPolarHBondContact CA-O 3.27Å; E39-H191 HydrophobicContact CG-CB 4.32Å; V40-H191 PolarHBondContact N-O 3.34Å; H191-H193 AromaticContact CD2-CE1 3.97Å; H191-H193 AromaticContact CD2-NE2 3.55Å; H191-H193 AromaticContact NE2-CE1 3.73Å; H191-H193 AromaticContact NE2-NE2 3.72Å; H191-V214 WeakPolarHBondContact CA-O 3.34Å; H191-V214 HydrophobicContact CB-CB 4.23Å; H191-V214 WeakPolarHBondContact NE2-CG1 3.43Å; H191-T216 PolarHBondContact NE2-OG1 3.49Å; H191-Y618 AromaticContact CE1-CD1 3.5Å; H191-Y618 VanDerWaalsContact CE1-CD1 3.5Å; H191-Y618 WeakPolarHBondContact CE1-CD1 3.23Å; H191-Y618 AromaticContact CE1-CE1 3.63Å; H191-Y618 AromaticContact ND1-CD1 3.98Å
192	F	98.8	Very high	95	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	-174.7	-64.8	-94	0	0	0	110.9	V40 I166 L170 A190 T197 L201 T213 V214 F215 T216	V40-F192 HydrophobicContact CB-CD1 3.83Å; V40-F192 HydrophobicContact CB-CE1 4.2Å; V40-F192 HydrophobicContact CB-CG 4.41Å; V40-F192 HydrophobicContact CG1-CD1 3.97Å; V40-F192 HydrophobicContact CG1-CE1 4.2Å; V40-F192 HydrophobicContact CG2-CD1 4.04Å; V40-F192 HydrophobicContact CG2-CE1 3.96Å; V40-F192 HydrophobicContact CG2-CZ 4.45Å; I166-F192 HydrophobicContact CG2-CE1 3.85Å; I166-F192 HydrophobicContact CG2-CZ 4.2Å; L170-F192 HydrophobicContact CD1-CZ 4.18Å; A190-F192 HydrophobicContact CB-CD2 4.26Å; A190-F192 HydrophobicContact CB-CE2 3.43Å; A190-F192 VanDerWaalsContact CB-CE2 3.43Å; A190-F192 HydrophobicContact CB-CZ 3.87Å; F192-T197 WeakPolarHBondContact CD1-O 3.23Å; F192-L201 HydrophobicContact CB-CB 4.44Å; F192-L201 HydrophobicContact CB-CD1 4.17Å; F192-L201 HydrophobicContact CD1-CB 4.09Å; F192-L201 HydrophobicContact CD2-CB 3.72Å; F192-L201 HydrophobicContact CD2-CD1 3.8Å; F192-L201 HydrophobicContact CD2-CG 3.93Å; F192-L201 HydrophobicContact CE1-CB 4.23Å; F192-L201 HydrophobicContact CE2-CB 3.86Å; F192-L201 HydrophobicContact CE2-CD1 4.49Å; F192-L201 HydrophobicContact CE2-CG 4.15Å; F192-L201 HydrophobicContact CG-CB 3.83Å; F192-L201 HydrophobicContact CG-CD1 4.17Å; F192-L201 HydrophobicContact CG-CG 4.43Å; F192-L201 HydrophobicContact CZ-CB 4.12Å; F192-T213 HydrophobicContact CE2-CG2 4.21Å; F192-V214 PolarHBondContact N-O 3.17Å; F192-F215 HydrophobicContact CB-CD2 4.01Å; F192-F215 CarbonylContact O-C 3.56Å; F192-F215 WeakPolarHBondContact O-CA 3.46Å; F192-T216 PolarHBondContact O-N 2.9Å
193	H	98.6	Very high	95.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.8	177.6	-69.6	-86	0	0	0	111.3	E39 V40 A41 I51 H191 T197 H218 Y618	E39-H193 IonicContact OE1-CD2 3.57Å; E39-H193 IonicContact OE1-CE1 3.26Å; E39-H193 IonicContact OE1-NE2 2.92Å; E39-H193 PolarHBondContact OE1-NE2 3.39Å; E39-H193 VanDerWaalsContact OE1-NE2 3.1Å; V40-H193 PolarHBondContact O-N 2.95Å; A41-H193 HydrophobicContact CB-CB 3.88Å; I51-H193 HydrophobicContact CG2-CB 4.32Å; H191-H193 AromaticContact CD2-CE1 3.97Å; H191-H193 AromaticContact CD2-NE2 3.55Å; H191-H193 AromaticContact NE2-CE1 3.73Å; H191-H193 AromaticContact NE2-NE2 3.72Å; H193-T197 PolarHBondContact N-OG1 2.83Å; H193-T197 VanDerWaalsContact O-CG2 3.28Å; H193-T197 WeakPolarHBondContact O-CG2 3.12Å; H193-T197 PolarHBondContact O-OG1 3.26Å; H193-H218 AromaticContact CG-NE2 3.84Å; H193-H218 AromaticContact ND1-CE1 3.95Å; H193-H218 AromaticContact ND1-NE2 3.08Å; H193-H218 PolarHBondContact ND1-NE2 2.82Å; H193-Y618 AromaticContact CE1-CE1 3.82Å
194	E	97.3	Very high	96.4	Very high	22 Å²	22	10.3 Å²	10.3	10%	0.103	6%	0.056	C	C	.	.	S	Bend	trans	65.4	159.3	173.4	-150.3	50.1	-99.4	0	0	116	I51 L196 T197 T216 T217 H218 A219	I51-E194 HydrophobicContact CD1-CB 3.73Å; I51-E194 HydrophobicContact CD1-CG 4.07Å; E194-L196 PolarHBondContact O-N 2.81Å; E194-T197 PolarHBondContact O-N 2.92Å; E194-T197 PolarHBondContact O-OG1 2.91Å; E194-T216 PolarHBondContact N-O 3.39Å; E194-T217 PolarHBondContact OE1-OG1 3.39Å; E194-H218 WeakPolarHBondContact OE2-CB 3.4Å; E194-H218 IonicContact OE2-CD2 2.78Å; E194-H218 PolarHBondContact OE2-N 3.45Å; E194-A219 PolarHBondContact OE2-N 3.26Å
195	W	97	Very high	97.1	Very high	15 Å²	15	11.1 Å²	11.1	6%	0.057	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-58.2	-24.1	-171.3	76.3	-88.8	0	0	0	114.8	E155 T197 S198 L221 R254 L257 E258	E155-W195 HydrophobicContact CG-CH2 4.24Å; E155-W195 HydrophobicContact CG-CZ2 4.5Å; W195-T197 PolarHBondContact O-N 3.45Å; W195-T197 VanDerWaalsContact O-N 3.14Å; W195-S198 WeakPolarHBondContact O-CB 3.39Å; W195-S198 PolarHBondContact O-N 2.88Å; W195-S198 PolarHBondContact O-OG 2.81Å; W195-L221 HydrophobicContact CB-CD1 4.32Å; W195-L221 HydrophobicContact CD2-CD1 4.02Å; W195-L221 HydrophobicContact CG-CD1 3.76Å; W195-L221 HydrophobicContact CG-CG 4.3Å; W195-R254 HydrophobicContact CE3-CB 4.21Å; W195-R254 HydrophobicContact CH2-CB 4.21Å; W195-R254 HydrophobicContact CH2-CG 3.75Å; W195-R254 HydrophobicContact CZ2-CG 4.35Å; W195-R254 HydrophobicContact CZ3-CB 4.04Å; W195-R254 HydrophobicContact CZ3-CG 3.85Å; W195-L257 HydrophobicContact CE3-CD1 4.29Å; W195-L257 HydrophobicContact CZ3-CD1 4.26Å; W195-E258 HydrophobicContact CB-CB 3.68Å; W195-E258 HydrophobicContact CB-CG 4.06Å
196	L	97	Very high	97.5	Very high	19 Å²	19	10.6 Å²	10.6	10%	0.099	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20	175.4	-71.4	170.9	0	0	0	113.1	W42 E155 A159 E194	W42-L196 HydrophobicContact CB-CB 4.05Å; W42-L196 HydrophobicContact CB-CD1 3.89Å; W42-L196 HydrophobicContact CD2-CB 4.48Å; W42-L196 HydrophobicContact CD2-CD1 4.19Å; W42-L196 HydrophobicContact CE3-CB 4.46Å; W42-L196 HydrophobicContact CG-CB 4.32Å; W42-L196 HydrophobicContact CG-CD1 3.68Å; E155-L196 HydrophobicContact CG-CD2 3.67Å; A159-L196 HydrophobicContact CB-CD2 4.23Å; A159-L196 WeakPolarHBondContact CB-O 3.49Å; E194-L196 PolarHBondContact O-N 2.81Å
197	T	98.1	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-101.5	-0.2	176.7	69	0	0	0	0	113.2	V40 F162 F192 H193 E194 W195 I199 G200	V40-T197 HydrophobicContact CG1-CG2 4.04Å; F162-T197 HydrophobicContact CE1-CG2 4.11Å; F192-T197 WeakPolarHBondContact CD1-O 3.23Å; H193-T197 PolarHBondContact N-OG1 2.83Å; H193-T197 VanDerWaalsContact O-CG2 3.28Å; H193-T197 WeakPolarHBondContact O-CG2 3.12Å; H193-T197 PolarHBondContact O-OG1 3.26Å; E194-T197 PolarHBondContact O-N 2.92Å; E194-T197 PolarHBondContact O-OG1 2.91Å; W195-T197 PolarHBondContact O-N 3.45Å; W195-T197 VanDerWaalsContact O-N 3.14Å; T197-I199 PolarHBondContact O-N 2.73Å; T197-G200 PolarHBondContact O-N 2.93Å; T197-G200 VanDerWaalsContact O-N 3.13Å
198	S	97.2	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.1	-44.5	-174.6	57	0	0	0	0	113.7	W195 G200 L201 V202 L257	W195-S198 WeakPolarHBondContact O-CB 3.39Å; W195-S198 PolarHBondContact O-N 2.88Å; W195-S198 PolarHBondContact O-OG 2.81Å; S198-G200 PolarHBondContact O-N 2.97Å; S198-L201 WeakPolarHBondContact O-CB 3.28Å; S198-L201 PolarHBondContact O-N 2.83Å; S198-L201 VanDerWaalsContact O-N 3.09Å; S198-V202 WeakPolarHBondContact O-CG2 3.31Å; S198-V202 PolarHBondContact O-N 3.18Å; S198-L257 WeakPolarHBondContact CB-O 3.37Å
199	I	97.4	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-36.7	-177.1	-67.1	113.9	0	0	0	111.1	L141 A159 V160 T197 L201 V202 F203 L257	L141-I199 HydrophobicContact CD2-CG1 4.49Å; A159-I199 HydrophobicContact CB-CD1 3.92Å; V160-I199 HydrophobicContact CG2-CD1 3.91Å; V160-I199 HydrophobicContact CG2-CG1 4.26Å; T197-I199 PolarHBondContact O-N 2.73Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 3.12Å; I199-V202 PolarHBondContact O-N 3.21Å; I199-F203 HydrophobicContact CG2-CD1 4.44Å; I199-F203 HydrophobicContact CG2-CD2 3.88Å; I199-F203 HydrophobicContact CG2-CE1 4.31Å; I199-F203 HydrophobicContact CG2-CE2 3.72Å; I199-F203 HydrophobicContact CG2-CG 4.24Å; I199-F203 HydrophobicContact CG2-CZ 3.96Å; I199-F203 WeakPolarHBondContact O-CB 3.24Å; I199-F203 WeakPolarHBondContact O-CG 3.34Å; I199-F203 PolarHBondContact O-N 3.34Å; I199-L257 HydrophobicContact CD1-CD1 3.82Å; I199-L257 HydrophobicContact CD1-CD2 3.91Å; I199-L257 HydrophobicContact CD1-CG 4.5Å; I199-L257 HydrophobicContact CG1-CD2 3.72Å
200	G	98	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-47.2	175.6	0	0	0	0	0	111.3	G163 T197 S198 T204	G163-G200 VanDerWaalsContact CA-N 3.29Å; G163-G200 VanDerWaalsContact O-CA 3.29Å; G163-G200 WeakPolarHBondContact O-CA 3.36Å; T197-G200 PolarHBondContact O-N 2.93Å; T197-G200 VanDerWaalsContact O-N 3.13Å; S198-G200 PolarHBondContact O-N 2.97Å; G200-T204 WeakPolarHBondContact O-CB 3.43Å; G200-T204 PolarHBondContact O-N 2.81Å; G200-T204 PolarHBondContact O-OG1 2.92Å
201	L	98.4	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-48	177.2	-173.1	161.6	0	0	0	112.1	F192 S198 I199 F203 T204 R205 F215 C264 A265	F192-L201 HydrophobicContact CB-CB 4.44Å; F192-L201 HydrophobicContact CB-CD1 4.17Å; F192-L201 HydrophobicContact CD1-CB 4.09Å; F192-L201 HydrophobicContact CD2-CB 3.72Å; F192-L201 HydrophobicContact CD2-CD1 3.8Å; F192-L201 HydrophobicContact CD2-CG 3.93Å; F192-L201 HydrophobicContact CE1-CB 4.23Å; F192-L201 HydrophobicContact CE2-CB 3.86Å; F192-L201 HydrophobicContact CE2-CD1 4.49Å; F192-L201 HydrophobicContact CE2-CG 4.15Å; F192-L201 HydrophobicContact CG-CB 3.83Å; F192-L201 HydrophobicContact CG-CD1 4.17Å; F192-L201 HydrophobicContact CG-CG 4.43Å; F192-L201 HydrophobicContact CZ-CB 4.12Å; S198-L201 WeakPolarHBondContact O-CB 3.28Å; S198-L201 PolarHBondContact O-N 2.83Å; S198-L201 VanDerWaalsContact O-N 3.09Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 3.12Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3.44Å; L201-T204 WeakPolarHBondContact O-CB 3.31Å; L201-T204 PolarHBondContact O-N 2.89Å; L201-R205 HydrophobicContact CD2-CG 4.17Å; L201-R205 WeakPolarHBondContact O-CG 3.49Å; L201-R205 PolarHBondContact O-N 3.3Å; L201-F215 HydrophobicContact CD1-CB 3.62Å; L201-F215 HydrophobicContact CD1-CD2 4.05Å; L201-F215 HydrophobicContact CD1-CG 4.16Å; L201-C264 HydrophobicContact CD2-CB 3.35Å; L201-A265 HydrophobicContact CD1-CB 3.94Å
202	V	98	Very high	97.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-57.2	-50.1	179.8	171.3	0	0	0	0	109.6	L141 S198 I199 T204 R205 T206 A260	L141-V202 HydrophobicContact CD1-CG1 4.36Å; S198-V202 WeakPolarHBondContact O-CG2 3.31Å; S198-V202 PolarHBondContact O-N 3.18Å; I199-V202 PolarHBondContact O-N 3.21Å; V202-T204 PolarHBondContact O-N 2.65Å; V202-R205 PolarHBondContact O-N 3.02Å; V202-R205 VanDerWaalsContact O-N 3.13Å; V202-T206 HydrophobicContact CG1-CG2 4.12Å; V202-T206 WeakPolarHBondContact O-CG2 3.26Å; V202-T206 PolarHBondContact O-N 2.9Å; V202-T206 PolarHBondContact O-OG1 3.47Å; V202-T206 VanDerWaalsContact O-OG1 3.13Å; V202-A260 HydrophobicContact CG2-CB 3.97Å
203	F	98	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-36.5	178.3	-73.8	-2.8	0	0	0	113.3	W137 E140 L141 A164 A167 I199 L201 R205 T206 R207	W137-F203 HydrophobicContact CB-CE2 4.37Å; E140-F203 HydrophobicContact CB-CZ 4.46Å; E140-F203 HydrophobicContact CG-CE1 4.38Å; E140-F203 HydrophobicContact CG-CZ 4.4Å; L141-F203 HydrophobicContact CB-CE1 4.06Å; L141-F203 HydrophobicContact CB-CZ 4.09Å; L141-F203 HydrophobicContact CD1-CE1 3.76Å; L141-F203 HydrophobicContact CD1-CZ 4.33Å; A164-F203 HydrophobicContact CB-CD2 4.18Å; A164-F203 HydrophobicContact CB-CE2 3.93Å; A167-F203 HydrophobicContact CB-CB 3.54Å; A167-F203 HydrophobicContact CB-CD2 4.49Å; I199-F203 HydrophobicContact CG2-CD1 4.44Å; I199-F203 HydrophobicContact CG2-CD2 3.88Å; I199-F203 HydrophobicContact CG2-CE1 4.31Å; I199-F203 HydrophobicContact CG2-CE2 3.72Å; I199-F203 HydrophobicContact CG2-CG 4.24Å; I199-F203 HydrophobicContact CG2-CZ 3.96Å; I199-F203 WeakPolarHBondContact O-CB 3.24Å; I199-F203 WeakPolarHBondContact O-CG 3.34Å; I199-F203 PolarHBondContact O-N 3.34Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3.44Å; F203-R205 PolarHBondContact O-N 3.17Å; F203-T206 WeakPolarHBondContact CA-OG1 3.5Å; F203-R207 WeakPolarHBondContact O-CB 3.42Å; F203-R207 WeakPolarHBondContact O-CG 3.39Å; F203-R207 PolarHBondContact O-N 3.18Å
204	T	98.3	Very high	97.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-56.5	-39.6	172.2	-65.3	0	0	0	0	111.3	G200 L201 V202 L209 V211 T213	G200-T204 WeakPolarHBondContact O-CB 3.43Å; G200-T204 PolarHBondContact O-N 2.81Å; G200-T204 PolarHBondContact O-OG1 2.92Å; L201-T204 WeakPolarHBondContact O-CB 3.31Å; L201-T204 PolarHBondContact O-N 2.89Å; V202-T204 PolarHBondContact O-N 2.65Å; T204-L209 HydrophobicContact CG2-CB 4.06Å; T204-L209 HydrophobicContact CG2-CD1 4.24Å; T204-L209 HydrophobicContact CG2-CG 4.49Å; T204-L209 PolarHBondContact O-N 3.12Å; T204-V211 HydrophobicContact CG2-CB 3.89Å; T204-V211 HydrophobicContact CG2-CG1 4.22Å; T204-T213 HydrophobicContact CG2-CG2 3.75Å
205	R	97.6	Very high	97.7	Very high	86 Å²	86	23.7 Å²	23.7	33%	0.325	11%	0.114	S	C	.	.	H	α-helix	trans	-80.6	-45.2	-178.7	-70.4	-71.6	-50.7	-110.7	8.5	113.5	L201 V202 F203 R207 H208 C264	L201-R205 HydrophobicContact CD2-CG 4.17Å; L201-R205 WeakPolarHBondContact O-CG 3.49Å; L201-R205 PolarHBondContact O-N 3.3Å; V202-R205 PolarHBondContact O-N 3.02Å; V202-R205 VanDerWaalsContact O-N 3.13Å; F203-R205 PolarHBondContact O-N 3.17Å; R205-R207 VanDerWaalsContact C-N 3.29Å; R205-R207 PolarHBondContact O-N 2.94Å; R205-H208 PolarHBondContact O-N 3.31Å; R205-H208 VanDerWaalsContact O-N 3.13Å; R205-C264 HydrophobicContact CB-CB 4.34Å; R205-C264 WeakPolarHBondContact CD-O 3.36Å; R205-C264 HydrophobicContact CG-CB 4.19Å; R205-C264 WeakPolarHBondContact CG-O 3.5Å; R205-C264 VanDerWaalsContact CZ-O 3.27Å; R205-C264 PolarHBondContact NE-O 3.02Å; R205-C264 PolarHBondContact NH1-O 3.3Å
206	T	96.7	Very high	97.8	Very high	48 Å²	48	23 Å²	23	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-70.9	-27.1	-178.8	58.6	0	0	0	0	112.2	V202 F203 H208	V202-T206 HydrophobicContact CG1-CG2 4.12Å; V202-T206 WeakPolarHBondContact O-CG2 3.26Å; V202-T206 PolarHBondContact O-N 2.9Å; V202-T206 PolarHBondContact O-OG1 3.47Å; V202-T206 VanDerWaalsContact O-OG1 3.13Å; F203-T206 WeakPolarHBondContact CA-OG1 3.5Å; T206-H208 VanDerWaalsContact C-N 3.28Å
207	R	96.7	Very high	97.8	Very high	69 Å²	69	22.1 Å²	22.1	26%	0.26	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.4	172.4	-60.4	174.6	178.2	172.1	0.8	113.6	E140 F203 R205 L209	E140-R207 IonicContact OE1-CZ 2.93Å; E140-R207 VanDerWaalsContact OE1-CZ 3.25Å; E140-R207 IonicContact OE1-NE 3.8Å; E140-R207 PolarHBondContact OE1-NE 3.3Å; E140-R207 IonicContact OE1-NH2 3.52Å; E140-R207 PolarHBondContact OE1-NH2 2.9Å; E140-R207 IonicContact OE2-CZ 3.63Å; E140-R207 IonicContact OE2-NH2 2.82Å; E140-R207 PolarHBondContact OE2-NH2 3.2Å; F203-R207 WeakPolarHBondContact O-CB 3.42Å; F203-R207 WeakPolarHBondContact O-CG 3.39Å; F203-R207 PolarHBondContact O-N 3.18Å; R205-R207 VanDerWaalsContact C-N 3.29Å; R205-R207 PolarHBondContact O-N 2.94Å; R207-L209 VanDerWaalsContact C-N 3.26Å; R207-L209 HydrophobicContact CB-CD2 4Å; R207-L209 HydrophobicContact CB-CG 4.15Å; R207-L209 PolarHBondContact O-N 3Å
208	H	96.6	Very high	97.7	Very high	168 Å²	168	22.9 Å²	22.9	78%	0.778	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.2	180	-57.1	-73	0	0	0	113.6	R205 T206	R205-H208 PolarHBondContact O-N 3.31Å; R205-H208 VanDerWaalsContact O-N 3.13Å; T206-H208 VanDerWaalsContact C-N 3.28Å
209	L	97.6	Very high	97.7	Very high	16 Å²	16	23.6 Å²	23.6	8%	0.084	12%	0.116	C	C	.	.			trans	-67.8	145.6	177.5	-55.2	-172.6	0	0	0	110	A167 L170 K171 T204 R207 V211	A167-L209 WeakPolarHBondContact O-CD1 3.39Å; L170-L209 HydrophobicContact CB-CD1 4.18Å; K171-L209 HydrophobicContact CB-CD1 4.09Å; K171-L209 HydrophobicContact CB-CD2 3.78Å; K171-L209 HydrophobicContact CD-CD2 4.48Å; K171-L209 HydrophobicContact CG-CD2 3.88Å; T204-L209 HydrophobicContact CG2-CB 4.06Å; T204-L209 HydrophobicContact CG2-CD1 4.24Å; T204-L209 HydrophobicContact CG2-CG 4.49Å; T204-L209 PolarHBondContact O-N 3.12Å; R207-L209 VanDerWaalsContact C-N 3.26Å; R207-L209 HydrophobicContact CB-CD2 4Å; R207-L209 HydrophobicContact CB-CG 4.15Å; R207-L209 PolarHBondContact O-N 3Å; L209-V211 HydrophobicContact CB-CG2 4.26Å; L209-V211 PolarHBondContact O-N 3.13Å
210	P	96.3	Very high	97.6	Very high	74 Å²	74	23.6 Å²	23.6	48%	0.481	12%	0.116	S	C	.	.	S	Bend	trans	-78.7	61.1	-178.8	34.2	-37.2	0	0	0	111.4	A174 F629	A174-P210 HydrophobicContact CB-CG 3.85Å; P210-F629 HydrophobicContact CB-CZ 4.25Å
211	V	97.9	Very high	97.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.12	C	C	.	.			trans	-135.7	123.1	-173	179.3	0	0	0	0	109.5	I188 A190 T204 L209	I188-V211 HydrophobicContact CB-CG2 4.21Å; I188-V211 HydrophobicContact CG2-CB 4.48Å; I188-V211 HydrophobicContact CG2-CG1 4.06Å; I188-V211 HydrophobicContact CG2-CG2 3.88Å; I188-V211 WeakPolarHBondContact O-CA 3.46Å; A190-V211 HydrophobicContact CB-CG1 3.57Å; T204-V211 HydrophobicContact CG2-CB 3.89Å; T204-V211 HydrophobicContact CG2-CG1 4.22Å; L209-V211 HydrophobicContact CB-CG2 4.26Å; L209-V211 PolarHBondContact O-N 3.13Å
212	A	98.2	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.3	170.7	0	0	0	0	0	109.8	I188 I189 A190 A625 L626 F629	I188-A212 PolarHBondContact O-N 3.29Å; I189-A212 CarbonylContact C-O 3.39Å; I189-A212 WeakPolarHBondContact CA-O 3.34Å; I189-A212 HydrophobicContact CG1-CB 4.44Å; A190-A212 PolarHBondContact N-O 3.29Å; A212-A625 HydrophobicContact CB-CB 4.21Å; A212-L626 HydrophobicContact CB-CD2 3.9Å; A212-F629 HydrophobicContact CB-CB 3.82Å; A212-F629 HydrophobicContact CB-CD1 4.24Å; A212-F629 HydrophobicContact CB-CG 4.05Å
213	T	98.8	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	-171.7	61.2	0	0	0	0	113	A190 F192 T204 H266 V267	A190-T213 WeakPolarHBondContact O-CA 3.23Å; F192-T213 HydrophobicContact CE2-CG2 4.21Å; T204-T213 HydrophobicContact CG2-CG2 3.75Å; T213-H266 PolarHBondContact N-ND1 2.93Å; T213-H266 WeakPolarHBondContact O-CB 3.48Å; T213-H266 PolarHBondContact O-N 3.31Å; T213-H266 VanDerWaalsContact O-N 3.08Å; T213-H266 PolarHBondContact OG1-N 3.43Å; T213-H266 PolarHBondContact OG1-ND1 3.04Å; T213-V267 PolarHBondContact O-N 3.31Å; T213-V267 VanDerWaalsContact O-N 3.17Å
214	V	98.8	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.1	171	-174.1	0	0	0	0	108.4	I189 A190 H191 F192 V267 T269 A621 A625	I189-V214 HydrophobicContact CG2-CG2 4.45Å; A190-V214 PolarHBondContact O-N 3.04Å; H191-V214 WeakPolarHBondContact CA-O 3.34Å; H191-V214 HydrophobicContact CB-CB 4.23Å; H191-V214 WeakPolarHBondContact NE2-CG1 3.43Å; F192-V214 PolarHBondContact N-O 3.17Å; V214-V267 CarbonylContact C-O 3.59Å; V214-V267 WeakPolarHBondContact CA-O 3.42Å; V214-V267 HydrophobicContact CG1-CB 4.45Å; V214-V267 HydrophobicContact CG1-CG1 4.26Å; V214-V267 HydrophobicContact CG2-CB 4.38Å; V214-T269 HydrophobicContact CG1-CG2 3.99Å; V214-A621 HydrophobicContact CG1-CB 4.3Å; V214-A625 HydrophobicContact CG2-CB 3.62Å
215	F	98.8	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.2	170.7	-175.4	-113	0	0	0	110.3	F192 L201 A261 V262 A265 V267 F268 T269	F192-F215 HydrophobicContact CB-CD2 4.01Å; F192-F215 CarbonylContact O-C 3.56Å; F192-F215 WeakPolarHBondContact O-CA 3.46Å; L201-F215 HydrophobicContact CD1-CB 3.62Å; L201-F215 HydrophobicContact CD1-CD2 4.05Å; L201-F215 HydrophobicContact CD1-CG 4.16Å; F215-A261 HydrophobicContact CD1-CB 4.2Å; F215-A261 HydrophobicContact CD2-CB 3.83Å; F215-A261 HydrophobicContact CE1-CB 4.08Å; F215-A261 HydrophobicContact CE2-CB 3.69Å; F215-A261 HydrophobicContact CG-CB 4.09Å; F215-A261 HydrophobicContact CZ-CB 3.82Å; F215-V262 HydrophobicContact CD1-CB 4.48Å; F215-V262 HydrophobicContact CD1-CG2 3.74Å; F215-V262 HydrophobicContact CE1-CG2 3.58Å; F215-A265 HydrophobicContact CB-CB 3.56Å; F215-V267 PolarHBondContact N-O 3.27Å; F215-F268 AromaticContact CD1-CD2 3.85Å; F215-F268 HydrophobicContact CD1-CD2 3.85Å; F215-F268 AromaticContact CD1-CE2 3.98Å; F215-F268 HydrophobicContact CD1-CE2 3.98Å; F215-F268 HydrophobicContact CE1-CE2 4.38Å; F215-F268 CarbonylContact O-C 3.52Å; F215-F268 WeakPolarHBondContact O-CA 3.35Å; F215-T269 PolarHBondContact O-N 3.23Å
216	T	98.7	Very high	95.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	173.6	-58.5	0	0	0	0	110	H191 F192 E194 T269 V271	H191-T216 PolarHBondContact NE2-OG1 3.49Å; F192-T216 PolarHBondContact O-N 2.9Å; E194-T216 PolarHBondContact N-O 3.39Å; T216-T269 WeakPolarHBondContact CA-O 3.22Å; T216-T269 WeakPolarHBondContact CB-OG1 3.28Å; T216-T269 WeakPolarHBondContact CG2-OG1 3.47Å; T216-T269 PolarHBondContact OG1-OG1 3.08Å; T216-V271 HydrophobicContact CG2-CG1 4.2Å
217	T	97.9	Very high	95.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.3	164.1	-176.6	0	0	0	0	109.6	E194 A219 F268 T269 T270 L283	E194-T217 PolarHBondContact OE1-OG1 3.39Å; T217-A219 PolarHBondContact OG1-N 3.45Å; T217-A219 PolarHBondContact OG1-O 2.98Å; T217-F268 HydrophobicContact CG2-CE2 3.6Å; T217-F268 HydrophobicContact CG2-CZ 3.69Å; T217-T269 PolarHBondContact N-O 2.89Å; T217-T269 VanDerWaalsContact N-O 3.13Å; T217-T270 HydrophobicContact CG2-CG2 3.54Å; T217-T270 WeakPolarHBondContact O-CA 3.12Å; T217-L283 HydrophobicContact CG2-CD1 4.38Å
218	H	96.9	Very high	94.8	Very high	17 Å²	17	27.3 Å²	27.3	8%	0.079	14%	0.142	C	C	.	.	S	Bend	trans	-86.2	-24.6	174.3	-68	-98.3	0	0	0	111.1	I51 H193 E194 V271 P524	I51-H218 HydrophobicContact CD1-CB 4.5Å; I51-H218 HydrophobicContact CG1-CB 4.42Å; H193-H218 AromaticContact CG-NE2 3.84Å; H193-H218 AromaticContact ND1-CE1 3.95Å; H193-H218 AromaticContact ND1-NE2 3.08Å; H193-H218 PolarHBondContact ND1-NE2 2.82Å; E194-H218 WeakPolarHBondContact OE2-CB 3.4Å; E194-H218 IonicContact OE2-CD2 2.78Å; E194-H218 PolarHBondContact OE2-N 3.45Å; H218-V271 HydrophobicContact CB-CG1 4.43Å; H218-V271 WeakPolarHBondContact ND1-CG1 3.47Å; H218-V271 WeakPolarHBondContact O-CG2 3.37Å; H218-P524 WeakPolarHBondContact O-CB 3.45Å
219	A	95.3	Very high	94.1	Very high	15 Å²	15	22.2 Å²	22.2	12%	0.124	13%	0.125	C	C	.	.	S	Bend	trans	-162.2	142.3	174.9	0	0	0	0	0	108.5	E194 T217 R224 P524	E194-A219 PolarHBondContact OE2-N 3.26Å; T217-A219 PolarHBondContact OG1-N 3.45Å; T217-A219 PolarHBondContact OG1-O 2.98Å; A219-R224 HydrophobicContact CB-CG 4.28Å; A219-P524 HydrophobicContact CB-CB 4.14Å; A219-P524 HydrophobicContact CB-CG 3.57Å
220	T	96.1	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.			trans	-78.3	143.9	174.4	87	0	0	0	0	110.6	G223 R224 E258 E278 L282 L283 Y522	T220-G223 PolarHBondContact O-N 3.12Å; T220-G223 PolarHBondContact OG1-N 3.49Å; T220-R224 PolarHBondContact O-N 3.16Å; T220-E258 WeakPolarHBondContact CA-OE1 3.46Å; T220-E278 VanDerWaalsContact CB-OE1 3.25Å; T220-E278 WeakPolarHBondContact CB-OE1 3.33Å; T220-E278 HydrophobicContact CG2-CB 4.44Å; T220-E278 HydrophobicContact CG2-CG 3.72Å; T220-E278 VanDerWaalsContact CG2-OE1 3.3Å; T220-E278 WeakPolarHBondContact CG2-OE1 3.36Å; T220-E278 PolarHBondContact N-OE1 3.23Å; T220-E278 PolarHBondContact OG1-OE1 3.05Å; T220-L282 WeakPolarHBondContact OG1-CD1 3.31Å; T220-L283 HydrophobicContact CG2-CD1 3.64Å; T220-L283 HydrophobicContact CG2-CG 4.2Å; T220-Y522 PolarHBondContact O-OH 3.28Å
221	L	94.2	Very high	92.6	Very high	16 Å²	16	24 Å²	24	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-54.8	-57.8	176.5	-83.5	165	0	0	0	110.9	W195 G223 R224 Y225 R254 E258	W195-L221 HydrophobicContact CB-CD1 4.32Å; W195-L221 HydrophobicContact CD2-CD1 4.02Å; W195-L221 HydrophobicContact CG-CD1 3.76Å; W195-L221 HydrophobicContact CG-CG 4.3Å; L221-G223 VanDerWaalsContact C-N 3.28Å; L221-G223 PolarHBondContact O-N 2.93Å; L221-R224 PolarHBondContact O-N 3.45Å; L221-R224 VanDerWaalsContact O-N 3.16Å; L221-Y225 HydrophobicContact CD2-CE2 4.26Å; L221-Y225 VanDerWaalsContact O-CD2 3.27Å; L221-Y225 WeakPolarHBondContact O-CD2 3.31Å; L221-Y225 PolarHBondContact O-N 2.79Å; L221-R254 HydrophobicContact CD1-CB 3.73Å; L221-R254 WeakPolarHBondContact CD1-O 3.3Å; L221-E258 WeakPolarHBondContact CB-OE2 3.48Å; L221-E258 HydrophobicContact CD1-CB 4.12Å; L221-E258 PolarHBondContact N-OE1 3.41Å; L221-E258 PolarHBondContact N-OE2 3.47Å; L221-E258 VanDerWaalsContact N-OE2 3.11Å
222	L	94.4	Very high	92.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-39.8	-177.4	-81	177.9	0	0	0	112.2	R224 Y225 L226 L242 E245 A246 I251 Y255 L282	L222-R224 VanDerWaalsContact C-N 3.34Å; L222-R224 PolarHBondContact O-N 3.39Å; L222-Y225 PolarHBondContact O-N 3.44Å; L222-L226 HydrophobicContact CB-CD1 4.34Å; L222-L226 WeakPolarHBondContact O-CB 3.25Å; L222-L226 VanDerWaalsContact O-CG 3.24Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.09Å; L222-L242 HydrophobicContact CD1-CB 4.07Å; L222-L242 HydrophobicContact CD1-CD2 4.07Å; L222-E245 HydrophobicContact CD2-CB 4.06Å; L222-A246 HydrophobicContact CD2-CB 3.99Å; L222-I251 HydrophobicContact CD2-CD1 4.28Å; L222-Y255 HydrophobicContact CD1-CD2 3.59Å; L222-Y255 HydrophobicContact CD1-CE2 3.5Å; L222-Y255 HydrophobicContact CD1-CG 4.3Å; L222-Y255 HydrophobicContact CG-CD2 3.91Å; L222-Y255 HydrophobicContact CG-CE2 4.29Å; L222-L282 HydrophobicContact CB-CD1 4.05Å
223	G	93.2	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-45.5	177.4	0	0	0	0	0	113.1	T220 L221 Y225 C227 E278	T220-G223 PolarHBondContact O-N 3.12Å; T220-G223 PolarHBondContact OG1-N 3.49Å; L221-G223 VanDerWaalsContact C-N 3.28Å; L221-G223 PolarHBondContact O-N 2.93Å; G223-Y225 PolarHBondContact O-N 3.34Å; G223-C227 WeakPolarHBondContact O-CB 3.45Å; G223-C227 PolarHBondContact O-N 3.27Å; G223-C227 VanDerWaalsContact O-N 3.08Å; G223-C227 PolarHBondContact O-SG 3.47Å; G223-C227 VanDerWaalsContact O-SG 3.38Å; G223-E278 VanDerWaalsContact CA-OE1 3.29Å; G223-E278 WeakPolarHBondContact CA-OE1 3.4Å
224	R	88.7	Confident	91.6	Very high	105 Å²	105	28 Å²	28	40%	0.396	16%	0.158	S	C	.	.	H	α-helix	trans	-61.8	-43.7	177.2	-69.1	-174	72.2	-171.2	-3.4	112.6	A219 T220 L221 L222 A228 R344 E346 Y522	A219-R224 HydrophobicContact CB-CG 4.28Å; T220-R224 PolarHBondContact O-N 3.16Å; L221-R224 PolarHBondContact O-N 3.45Å; L221-R224 VanDerWaalsContact O-N 3.16Å; L222-R224 VanDerWaalsContact C-N 3.34Å; L222-R224 PolarHBondContact O-N 3.39Å; R224-A228 WeakPolarHBondContact O-CB 3.2Å; R224-A228 PolarHBondContact O-N 3Å; R224-A228 VanDerWaalsContact O-N 3.12Å; R224-R344 VanDerWaalsContact NH2-NH1 3.2Å; R224-E346 IonicContact NH2-OE1 3.82Å; R224-Y522 HydrophobicContact CB-CE1 4.38Å; R224-Y522 HydrophobicContact CG-CD1 4.39Å; R224-Y522 HydrophobicContact CG-CE1 3.43Å; R224-Y522 VanDerWaalsContact CG-CE1 3.43Å
225	Y	90.1	Very high	91.3	Very high	88 Å²	88	32.6 Å²	32.6	35%	0.345	18%	0.183	S	C	.	.	H	α-helix	trans	-72.2	-38.7	-178.1	-81.5	-85.8	0	0	0	113	L221 L222 G223 S229 I251	L221-Y225 HydrophobicContact CD2-CE2 4.26Å; L221-Y225 VanDerWaalsContact O-CD2 3.27Å; L221-Y225 WeakPolarHBondContact O-CD2 3.31Å; L221-Y225 PolarHBondContact O-N 2.79Å; L222-Y225 PolarHBondContact O-N 3.44Å; G223-Y225 PolarHBondContact O-N 3.34Å; Y225-S229 PolarHBondContact O-N 3.44Å; Y225-S229 PolarHBondContact O-OG 3.47Å; Y225-I251 HydrophobicContact CD1-CD1 4.34Å; Y225-I251 HydrophobicContact CD2-CD1 3.4Å; Y225-I251 HydrophobicContact CE1-CG2 4.32Å; Y225-I251 HydrophobicContact CE2-CD1 3.66Å; Y225-I251 HydrophobicContact CE2-CG2 4.12Å; Y225-I251 HydrophobicContact CG-CD1 3.79Å
226	L	91.8	Very high	91.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-46.6	178	-72	169	0	0	0	110.9	L222 A228 S229 L233 F240 E245	L222-L226 HydrophobicContact CB-CD1 4.34Å; L222-L226 WeakPolarHBondContact O-CB 3.25Å; L222-L226 VanDerWaalsContact O-CG 3.24Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.09Å; L226-A228 VanDerWaalsContact C-N 3.35Å; L226-A228 PolarHBondContact O-N 3.28Å; L226-S229 WeakPolarHBondContact O-CB 3.38Å; L226-S229 PolarHBondContact O-N 2.87Å; L226-L233 HydrophobicContact CB-CD1 4.03Å; L226-L233 HydrophobicContact CD1-CD1 3.71Å; L226-F240 HydrophobicContact CD1-CD1 4.38Å; L226-F240 HydrophobicContact CD1-CD2 4.26Å; L226-F240 HydrophobicContact CD1-CE1 4.43Å; L226-F240 HydrophobicContact CD1-CE2 4.32Å; L226-F240 HydrophobicContact CD1-CG 4.31Å; L226-F240 HydrophobicContact CD1-CZ 4.4Å; L226-F240 HydrophobicContact CD2-CD1 4.12Å; L226-F240 HydrophobicContact CD2-CE1 3.9Å; L226-F240 HydrophobicContact CD2-CZ 4.4Å; L226-E245 HydrophobicContact CD2-CG 4.19Å; L226-E245 WeakPolarHBondContact CD2-OE2 3.17Å
227	C	87	Confident	90.8	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-37.8	176.7	-72.6	0	0	0	0	112.8	G223 S229 S230 L233 N349 Y522	G223-C227 WeakPolarHBondContact O-CB 3.45Å; G223-C227 PolarHBondContact O-N 3.27Å; G223-C227 VanDerWaalsContact O-N 3.08Å; G223-C227 PolarHBondContact O-SG 3.47Å; G223-C227 VanDerWaalsContact O-SG 3.38Å; C227-S229 PolarHBondContact O-N 3.5Å; C227-S230 PolarHBondContact O-N 3.32Å; C227-S230 VanDerWaalsContact O-N 3.13Å; C227-L233 WeakPolarHBondContact SG-CD2 3.36Å; C227-N349 WeakPolarHBondContact CB-OD1 3.43Å; C227-Y522 HydrophobicContact CB-CD2 4.16Å; C227-Y522 HydrophobicContact CB-CG 4.07Å; C227-Y522 WeakPolarHBondContact SG-CD2 3.4Å
228	A	83.3	Confident	90.5	Very high	71 Å²	71	40.5 Å²	40.5	59%	0.587	23%	0.228	S	C	*	.	H	α-helix	trans	-64.4	-19.9	174.9	0	0	0	0	0	113.3	R224 L226 S230	R224-A228 WeakPolarHBondContact O-CB 3.2Å; R224-A228 PolarHBondContact O-N 3Å; R224-A228 VanDerWaalsContact O-N 3.12Å; L226-A228 VanDerWaalsContact C-N 3.35Å; L226-A228 PolarHBondContact O-N 3.28Å; A228-S230 VanDerWaalsContact C-N 3.3Å
229	S	81.6	Confident	90.4	Very high	61 Å²	61	44.7 Å²	44.7	43%	0.427	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	11.9	177.5	-50.5	0	0	0	0	113	Y225 L226 C227 V231	Y225-S229 PolarHBondContact O-N 3.44Å; Y225-S229 PolarHBondContact O-OG 3.47Å; L226-S229 WeakPolarHBondContact O-CB 3.38Å; L226-S229 PolarHBondContact O-N 2.87Å; C227-S229 PolarHBondContact O-N 3.5Å; S229-V231 PolarHBondContact O-N 3.35Å
230	S	78.9	Confident	90.3	Very high	76 Å²	76	45.1 Å²	45.1	53%	0.531	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	25.5	-177.8	-49.9	0	0	0	0	114.6	C227 A228 Q348	C227-S230 PolarHBondContact O-N 3.32Å; C227-S230 VanDerWaalsContact O-N 3.13Å; A228-S230 VanDerWaalsContact C-N 3.3Å; S230-Q348 VanDerWaalsContact OG-CD 3.24Å; S230-Q348 PolarHBondContact OG-NE2 3.47Å; S230-Q348 VanDerWaalsContact OG-NE2 3.07Å; S230-Q348 PolarHBondContact OG-OE1 3.17Å
231	V	83.5	Confident	90.2	Very high	52 Å²	52	49.4 Å²	49.4	32%	0.315	27%	0.273	S	S	.	.			trans	-82.1	143.1	176.4	-173.7	0	0	0	0	109.3	S229 L233 F240	S229-V231 PolarHBondContact O-N 3.35Å; V231-L233 VanDerWaalsContact C-N 3.29Å; V231-L233 PolarHBondContact O-N 2.87Å; V231-F240 HydrophobicContact CG1-CE1 3.89Å; V231-F240 HydrophobicContact CG1-CZ 3.66Å
232	D	89.5	Confident	90.3	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	27%	0.27	S	S	.	.			trans	-72.2	85.6	170.3	-171.9	2.7	0	0	0	110.5	N235 H236 Y521	D232-N235 PolarHBondContact OD1-ND2 3.04Å; D232-N235 WeakPolarHBondContact OD2-CB 3.42Å; D232-N235 PolarHBondContact OD2-ND2 3.47Å; D232-H236 PolarHBondContact O-CD2 3.26Å; D232-Y521 WeakPolarHBondContact CA-OH 3.33Å; D232-Y521 PolarHBondContact OD1-OH 3.13Å; D232-Y521 VanDerWaalsContact OD1-OH 3.06Å
233	L	92.1	Very high	90.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-55.4	-175	177.3	64.5	0	0	0	111.7	L226 C227 V231 N235 H236 L237 F240 Y521 Y522	L226-L233 HydrophobicContact CB-CD1 4.03Å; L226-L233 HydrophobicContact CD1-CD1 3.71Å; C227-L233 WeakPolarHBondContact SG-CD2 3.36Å; V231-L233 VanDerWaalsContact C-N 3.29Å; V231-L233 PolarHBondContact O-N 2.87Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 3.09Å; L233-H236 CarbonylContact O-C 3.55Å; L233-H236 PolarHBondContact O-N 3.19Å; L233-L237 HydrophobicContact CD1-CD2 3.76Å; L233-L237 HydrophobicContact CG-CD2 3.95Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 2.77Å; L233-L237 VanDerWaalsContact O-N 3.09Å; L233-F240 HydrophobicContact CD1-CE2 3.88Å; L233-F240 HydrophobicContact CD1-CZ 4.48Å; L233-Y521 HydrophobicContact CB-CE1 4.4Å; L233-Y521 PolarHBondContact N-OH 3.34Å; L233-Y522 HydrophobicContact CD2-CD2 4.16Å; L233-Y522 HydrophobicContact CD2-CE2 4.15Å
234	Y	93.3	Very high	90.5	Very high	19 Å²	19	57.2 Å²	57.2	8%	0.075	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-23.7	-164.7	-66.9	-71.2	0	0	0	114	L237 I274 Y521 Y522 L544	Y234-L237 HydrophobicContact CD1-CD1 4.23Å; Y234-I274 HydrophobicContact CD1-CD1 3.87Å; Y234-I274 HydrophobicContact CD1-CG1 4.3Å; Y234-I274 HydrophobicContact CE1-CD1 3.67Å; Y234-I274 HydrophobicContact CE1-CG1 3.58Å; Y234-Y521 HydrophobicContact CD2-CE1 4.3Å; Y234-Y521 HydrophobicContact CD2-CE2 4.08Å; Y234-Y521 AromaticContact CD2-CZ 3.84Å; Y234-Y521 HydrophobicContact CE2-CE1 4.34Å; Y234-Y521 VanDerWaalsContact CE2-O 3.31Å; Y234-Y521 WeakPolarHBondContact CE2-O 3.46Å; Y234-Y522 WeakPolarHBondContact OH-CD2 3.13Å; Y234-L544 HydrophobicContact CD1-CD2 4.17Å; Y234-L544 HydrophobicContact CD2-CD1 3.73Å; Y234-L544 HydrophobicContact CD2-CD2 3.63Å; Y234-L544 HydrophobicContact CD2-CG 4.24Å; Y234-L544 HydrophobicContact CE1-CD2 4.43Å; Y234-L544 HydrophobicContact CE2-CB 4.38Å; Y234-L544 HydrophobicContact CE2-CD1 4Å; Y234-L544 HydrophobicContact CE2-CD2 3.92Å; Y234-L544 HydrophobicContact CE2-CG 4.34Å; Y234-L544 HydrophobicContact CG-CD2 3.76Å
235	N	92.8	Very high	90.8	Very high	97 Å²	97	54 Å²	54	52%	0.519	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.3	174.9	-67.1	-37.8	0	0	0	113.3	D232 L233	D232-N235 PolarHBondContact OD1-ND2 3.04Å; D232-N235 WeakPolarHBondContact OD2-CB 3.42Å; D232-N235 PolarHBondContact OD2-ND2 3.47Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 3.09Å
236	H	93.6	Very high	91	Very high	84 Å²	84	49.9 Å²	49.9	39%	0.389	28%	0.283	S	S	.	.	S	Bend	trans	-119.9	17.4	-176.2	-66.6	-66	0	0	0	114.1	D232 L233 S238 D239 F240	D232-H236 PolarHBondContact O-CD2 3.26Å; L233-H236 CarbonylContact O-C 3.55Å; L233-H236 PolarHBondContact O-N 3.19Å; H236-S238 PolarHBondContact O-N 3.35Å; H236-D239 HydrophobicContact CB-CB 4.35Å; H236-D239 IonicContact CE1-OD2 2.73Å; H236-D239 IonicContact CG-OD2 3.45Å; H236-D239 IonicContact ND1-OD2 2.6Å; H236-D239 PolarHBondContact ND1-OD2 2.89Å; H236-D239 PolarHBondContact O-N 3.04Å; H236-F240 HydrophobicContact CB-CE2 3.98Å; H236-F240 HydrophobicContact CB-CZ 4.12Å; H236-F240 WeakPolarHBondContact O-CD2 3.36Å; H236-F240 VanDerWaalsContact O-CE2 3.23Å; H236-F240 WeakPolarHBondContact O-CE2 3.28Å
237	L	92.2	Very high	91.2	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-33.5	-177.6	-79.2	172.8	0	0	0	113.8	L233 Y234 L277 F281 L282	L233-L237 HydrophobicContact CD1-CD2 3.76Å; L233-L237 HydrophobicContact CG-CD2 3.95Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 2.77Å; L233-L237 VanDerWaalsContact O-N 3.09Å; Y234-L237 HydrophobicContact CD1-CD1 4.23Å; L237-L277 HydrophobicContact CD1-CD2 4.03Å; L237-L277 HydrophobicContact CD1-CG 4.01Å; L237-F281 HydrophobicContact CB-CB 4.05Å; L237-F281 HydrophobicContact CB-CD1 4.48Å; L237-F281 HydrophobicContact CB-CD2 3.83Å; L237-F281 HydrophobicContact CB-CE2 4.43Å; L237-F281 HydrophobicContact CB-CG 3.87Å; L237-F281 HydrophobicContact CD1-CD2 3.98Å; L237-F281 HydrophobicContact CD1-CE2 4.45Å; L237-F281 HydrophobicContact CG-CD2 4.46Å; L237-L282 HydrophobicContact CD2-CD2 4.32Å; L237-L282 HydrophobicContact CD2-CG 4.33Å
238	S	93	Very high	91.6	Very high	73 Å²	73	56.1 Å²	56.1	51%	0.51	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-20.3	178.4	48.1	0	0	0	0	114.4	H236	H236-S238 PolarHBondContact O-N 3.35Å
239	D	94.1	Very high	92.1	Very high	106 Å²	106	55.6 Å²	55.6	57%	0.567	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.5	-161.6	-53.5	-16.4	0	0	0	112.2	H236	H236-D239 HydrophobicContact CB-CB 4.35Å; H236-D239 IonicContact CE1-OD2 2.73Å; H236-D239 IonicContact CG-OD2 3.45Å; H236-D239 IonicContact ND1-OD2 2.6Å; H236-D239 PolarHBondContact ND1-OD2 2.89Å; H236-D239 PolarHBondContact O-N 3.04Å
240	F	92.9	Very high	92.7	Very high	24 Å²	24	59.3 Å²	59.3	11%	0.105	32%	0.321	C	S	.	.			trans	-74.6	131.4	-178	-67.3	-69.5	0	0	0	113.2	L226 V231 L233 H236 L242 E245	L226-F240 HydrophobicContact CD1-CD1 4.38Å; L226-F240 HydrophobicContact CD1-CD2 4.26Å; L226-F240 HydrophobicContact CD1-CE1 4.43Å; L226-F240 HydrophobicContact CD1-CE2 4.32Å; L226-F240 HydrophobicContact CD1-CG 4.31Å; L226-F240 HydrophobicContact CD1-CZ 4.4Å; L226-F240 HydrophobicContact CD2-CD1 4.12Å; L226-F240 HydrophobicContact CD2-CE1 3.9Å; L226-F240 HydrophobicContact CD2-CZ 4.4Å; V231-F240 HydrophobicContact CG1-CE1 3.89Å; V231-F240 HydrophobicContact CG1-CZ 3.66Å; L233-F240 HydrophobicContact CD1-CE2 3.88Å; L233-F240 HydrophobicContact CD1-CZ 4.48Å; H236-F240 HydrophobicContact CB-CE2 3.98Å; H236-F240 HydrophobicContact CB-CZ 4.12Å; H236-F240 WeakPolarHBondContact O-CD2 3.36Å; H236-F240 VanDerWaalsContact O-CE2 3.23Å; H236-F240 WeakPolarHBondContact O-CE2 3.28Å; F240-L242 HydrophobicContact CB-CD2 4.11Å; F240-L242 PolarHBondContact O-N 2.85Å; F240-E245 HydrophobicContact CB-CG 4.43Å; F240-E245 HydrophobicContact CD1-CG 4.12Å
241	D	95.2	Very high	93.5	Very high	90 Å²	90	55.9 Å²	55.9	48%	0.481	30%	0.297	S	S	.	.			trans	-79	96.1	161.7	-177.5	-14.9	0	0	0	109.3	D243 K244 E245	D241-D243 VanDerWaalsContact C-N 3.33Å; D241-D243 PolarHBondContact O-N 3.02Å; D241-D243 PolarHBondContact OD1-N 3.36Å; D241-K244 HydrophobicContact CB-CB 3.92Å; D241-K244 VanDerWaalsContact CG-CB 3.44Å; D241-K244 PolarHBondContact O-N 2.9Å; D241-K244 PolarHBondContact OD1-N 3.23Å; D241-E245 VanDerWaalsContact O-CG 3.28Å; D241-E245 WeakPolarHBondContact O-CG 3.23Å; D241-E245 PolarHBondContact O-N 3.29Å
242	L	95.6	Very high	94.2	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-40.1	-171.2	-52	177.2	0	0	0	113.1	L222 F240 A246 Y255 F281 L282 R284	L222-L242 HydrophobicContact CD1-CB 4.07Å; L222-L242 HydrophobicContact CD1-CD2 4.07Å; F240-L242 HydrophobicContact CB-CD2 4.11Å; F240-L242 PolarHBondContact O-N 2.85Å; L242-A246 WeakPolarHBondContact O-CB 3.47Å; L242-A246 PolarHBondContact O-N 2.69Å; L242-Y255 HydrophobicContact CB-CE1 4.41Å; L242-Y255 WeakPolarHBondContact CD1-OH 3.42Å; L242-F281 WeakPolarHBondContact CD1-O 3.35Å; L242-L282 WeakPolarHBondContact CD1-O 3.23Å; L242-L282 HydrophobicContact CD2-CD2 3.54Å; L242-R284 HydrophobicContact CD1-CG 4.39Å; L242-R284 VanDerWaalsContact CD1-NE 3.35Å
243	D	95	Very high	94.5	Very high	68 Å²	68	56.2 Å²	56.2	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-69.3	-41.6	-177.9	-68.4	-64.9	0	0	0	110.1	D241 G247 Y252	D241-D243 VanDerWaalsContact C-N 3.33Å; D241-D243 PolarHBondContact O-N 3.02Å; D241-D243 PolarHBondContact OD1-N 3.36Å; D243-G247 PolarHBondContact O-N 3.06Å; D243-Y252 HydrophobicContact CB-CE2 3.75Å; D243-Y252 WeakPolarHBondContact OD1-CE2 3.41Å; D243-Y252 PolarHBondContact OD1-OH 3.26Å
244	K	96.1	Very high	94.7	Very high	108 Å²	108	57.9 Å²	57.9	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-49.1	173.1	179	172.7	170.8	47.3	0	112.2	D241 A246 G247 D248	D241-K244 HydrophobicContact CB-CB 3.92Å; D241-K244 VanDerWaalsContact CG-CB 3.44Å; D241-K244 PolarHBondContact O-N 2.9Å; D241-K244 PolarHBondContact OD1-N 3.23Å; K244-A246 VanDerWaalsContact C-N 3.28Å; K244-A246 PolarHBondContact O-N 3.12Å; K244-G247 PolarHBondContact O-N 3.24Å; K244-D248 WeakPolarHBondContact CG-OD2 3.32Å; K244-D248 IonicContact NZ-OD1 2.77Å; K244-D248 IonicContact NZ-OD2 2.94Å; K244-D248 PolarHBondContact NZ-OD2 3.18Å; K244-D248 WeakPolarHBondContact O-CB 3.09Å; K244-D248 PolarHBondContact O-N 2.89Å
245	E	95.1	Very high	94.9	Very high	39 Å²	39	57 Å²	57	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-37.6	-178.7	-68.6	-62.7	151.6	0	0	111.9	L222 L226 F240 D241 R249	L222-E245 HydrophobicContact CD2-CB 4.06Å; L226-E245 HydrophobicContact CD2-CG 4.19Å; L226-E245 WeakPolarHBondContact CD2-OE2 3.17Å; F240-E245 HydrophobicContact CB-CG 4.43Å; F240-E245 HydrophobicContact CD1-CG 4.12Å; D241-E245 VanDerWaalsContact O-CG 3.28Å; D241-E245 WeakPolarHBondContact O-CG 3.23Å; D241-E245 PolarHBondContact O-N 3.29Å; E245-R249 PolarHBondContact O-NH1 2.9Å; E245-R249 IonicContact OE2-CZ 4Å; E245-R249 VanDerWaalsContact OE2-CZ 3.23Å; E245-R249 IonicContact OE2-NH1 2.8Å; E245-R249 PolarHBondContact OE2-NH1 3.08Å; E245-R249 IonicContact OE2-NH2 2.68Å; E245-R249 PolarHBondContact OE2-NH2 3.34Å
246	A	95.7	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-73.7	-38.4	175.9	0	0	0	0	0	112.3	L222 L242 K244 N250 I251 Y252 Y255	L222-A246 HydrophobicContact CD2-CB 3.99Å; L242-A246 WeakPolarHBondContact O-CB 3.47Å; L242-A246 PolarHBondContact O-N 2.69Å; K244-A246 VanDerWaalsContact C-N 3.28Å; K244-A246 PolarHBondContact O-N 3.12Å; A246-N250 PolarHBondContact O-N 3.33Å; A246-I251 HydrophobicContact CB-CG1 4.24Å; A246-I251 WeakPolarHBondContact O-CG1 3.16Å; A246-I251 PolarHBondContact O-N 3.02Å; A246-Y252 HydrophobicContact CB-CD2 4.04Å; A246-Y252 PolarHBondContact O-N 2.87Å; A246-Y255 HydrophobicContact CB-CD1 3.98Å; A246-Y255 HydrophobicContact CB-CG 3.94Å
247	G	95.8	Very high	95.3	Very high	29 Å²	29	49.6 Å²	49.6	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-50.3	176.2	0	0	0	0	0	112.9	D243 K244 R249 N250	D243-G247 PolarHBondContact O-N 3.06Å; K244-G247 PolarHBondContact O-N 3.24Å; G247-R249 PolarHBondContact O-N 3.28Å; G247-N250 PolarHBondContact O-N 2.83Å
248	D	94.6	Very high	95.6	Very high	103 Å²	103	49.2 Å²	49.2	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-60.9	-21.8	-178.9	-72.3	-12.1	0	0	0	112.2	K244	K244-D248 WeakPolarHBondContact CG-OD2 3.32Å; K244-D248 IonicContact NZ-OD1 2.77Å; K244-D248 IonicContact NZ-OD2 2.94Å; K244-D248 PolarHBondContact NZ-OD2 3.18Å; K244-D248 WeakPolarHBondContact O-CB 3.09Å; K244-D248 PolarHBondContact O-N 2.89Å
249	R	93.7	Very high	95.8	Very high	61 Å²	61	49.3 Å²	49.3	23%	0.23	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	5.4	177.4	-69.2	175.9	-174.6	71.3	-3.4	114.2	E245 G247 I251	E245-R249 PolarHBondContact O-NH1 2.9Å; E245-R249 IonicContact OE2-CZ 4Å; E245-R249 VanDerWaalsContact OE2-CZ 3.23Å; E245-R249 IonicContact OE2-NH1 2.8Å; E245-R249 PolarHBondContact OE2-NH1 3.08Å; E245-R249 IonicContact OE2-NH2 2.68Å; E245-R249 PolarHBondContact OE2-NH2 3.34Å; G247-R249 PolarHBondContact O-N 3.28Å; R249-I251 HydrophobicContact CB-CD1 4.2Å; R249-I251 HydrophobicContact CB-CG1 4.01Å; R249-I251 PolarHBondContact O-N 3.08Å
250	N	94.3	Very high	96	Very high	138 Å²	138	45.1 Å²	45.1	74%	0.738	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	32.8	-176.7	-62	-50.8	0	0	0	114	A246 G247 H253	A246-N250 PolarHBondContact O-N 3.33Å; G247-N250 PolarHBondContact O-N 2.83Å; N250-H253 PolarHBondContact O-CE1 3.38Å
251	I	95.5	Very high	96.2	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.219	C	C	.	.			trans	-117.7	12.6	177.7	62.5	175.8	0	0	0	112.4	L222 Y225 A246 R249 H253 R254 Y255	L222-I251 HydrophobicContact CD2-CD1 4.28Å; Y225-I251 HydrophobicContact CD1-CD1 4.34Å; Y225-I251 HydrophobicContact CD2-CD1 3.4Å; Y225-I251 HydrophobicContact CE1-CG2 4.32Å; Y225-I251 HydrophobicContact CE2-CD1 3.66Å; Y225-I251 HydrophobicContact CE2-CG2 4.12Å; Y225-I251 HydrophobicContact CG-CD1 3.79Å; A246-I251 HydrophobicContact CB-CG1 4.24Å; A246-I251 WeakPolarHBondContact O-CG1 3.16Å; A246-I251 PolarHBondContact O-N 3.02Å; R249-I251 HydrophobicContact CB-CD1 4.2Å; R249-I251 HydrophobicContact CB-CG1 4.01Å; R249-I251 PolarHBondContact O-N 3.08Å; I251-H253 VanDerWaalsContact C-N 3.34Å; I251-H253 PolarHBondContact O-N 3.24Å; I251-R254 WeakPolarHBondContact O-CB 3.45Å; I251-R254 PolarHBondContact O-N 3.07Å; I251-Y255 PolarHBondContact O-N 2.95Å
252	Y	97.3	Very high	96.3	Very high	102 Å²	102	39.7 Å²	39.7	40%	0.4	20%	0.196	S	C	.	.	H	α-helix	trans	-51.7	-49	-175.9	-169.1	-103	0	0	0	113	D243 A246 R254 Y255 C256	D243-Y252 HydrophobicContact CB-CE2 3.75Å; D243-Y252 WeakPolarHBondContact OD1-CE2 3.41Å; D243-Y252 PolarHBondContact OD1-OH 3.26Å; A246-Y252 HydrophobicContact CB-CD2 4.04Å; A246-Y252 PolarHBondContact O-N 2.87Å; Y252-R254 PolarHBondContact O-N 3.18Å; Y252-Y255 WeakPolarHBondContact O-CB 3.25Å; Y252-Y255 PolarHBondContact O-N 2.79Å; Y252-C256 WeakPolarHBondContact CE1-SG 3.29Å; Y252-C256 PolarHBondContact O-N 2.74Å; Y252-C256 PolarHBondContact O-SG 2.96Å
253	H	96.6	Very high	96.4	Very high	21 Å²	21	43.9 Å²	43.9	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-38.3	178	54.3	-71.7	0	0	0	112.8	G148 I149 D153 N250 I251 C256 L257	G148-H253 VanDerWaalsContact O-CB 3.28Å; G148-H253 WeakPolarHBondContact O-CB 3.36Å; I149-H253 HydrophobicContact CD1-CB 4.3Å; D153-H253 IonicContact OD2-CD2 2.77Å; D153-H253 IonicContact OD2-CE1 3.07Å; D153-H253 IonicContact OD2-NE2 3.88Å; D153-H253 PolarHBondContact OD2-NE2 3.5Å; N250-H253 PolarHBondContact O-CE1 3.38Å; I251-H253 VanDerWaalsContact C-N 3.34Å; I251-H253 PolarHBondContact O-N 3.24Å; H253-C256 PolarHBondContact O-N 3.27Å; H253-L257 VanDerWaalsContact O-CG 3.3Å; H253-L257 WeakPolarHBondContact O-CG 3.47Å; H253-L257 PolarHBondContact O-N 3.47Å
254	R	97.4	Very high	96.5	Very high	36 Å²	36	42.2 Å²	42.2	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-42	176	-55.6	-179.2	174.9	-151.6	-3.7	111.4	D153 E155 W195 L221 I251 Y252 L257 E258	D153-R254 VanDerWaalsContact CG-NH2 3.3Å; D153-R254 IonicContact OD1-CZ 3.99Å; D153-R254 IonicContact OD1-NE 3.72Å; D153-R254 IonicContact OD1-NH2 3Å; D153-R254 PolarHBondContact OD1-NH2 3.33Å; D153-R254 IonicContact OD2-CZ 2.76Å; D153-R254 IonicContact OD2-NE 2.72Å; D153-R254 PolarHBondContact OD2-NE 2.91Å; D153-R254 IonicContact OD2-NH2 3.1Å; D153-R254 PolarHBondContact OD2-NH2 3.29Å; E155-R254 IonicContact OE2-CZ 2.99Å; E155-R254 IonicContact OE2-NH1 3.96Å; E155-R254 PolarHBondContact OE2-NH1 2.94Å; E155-R254 IonicContact OE2-NH2 3.83Å; E155-R254 PolarHBondContact OE2-NH2 3.19Å; W195-R254 HydrophobicContact CE3-CB 4.21Å; W195-R254 HydrophobicContact CH2-CB 4.21Å; W195-R254 HydrophobicContact CH2-CG 3.75Å; W195-R254 HydrophobicContact CZ2-CG 4.35Å; W195-R254 HydrophobicContact CZ3-CB 4.04Å; W195-R254 HydrophobicContact CZ3-CG 3.85Å; L221-R254 HydrophobicContact CD1-CB 3.73Å; L221-R254 WeakPolarHBondContact CD1-O 3.3Å; I251-R254 WeakPolarHBondContact O-CB 3.45Å; I251-R254 PolarHBondContact O-N 3.07Å; Y252-R254 PolarHBondContact O-N 3.18Å; R254-L257 WeakPolarHBondContact O-CB 3.48Å; R254-L257 PolarHBondContact O-N 3.38Å; R254-E258 PolarHBondContact O-N 2.9Å
255	Y	97.1	Very high	96.7	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-46.1	173.6	167.6	-107.4	0	0	0	111.8	L222 L242 A246 I251 Y252 L257 E258 R259 L282 L283	L222-Y255 HydrophobicContact CD1-CD2 3.59Å; L222-Y255 HydrophobicContact CD1-CE2 3.5Å; L222-Y255 HydrophobicContact CD1-CG 4.3Å; L222-Y255 HydrophobicContact CG-CD2 3.91Å; L222-Y255 HydrophobicContact CG-CE2 4.29Å; L242-Y255 HydrophobicContact CB-CE1 4.41Å; L242-Y255 WeakPolarHBondContact CD1-OH 3.42Å; A246-Y255 HydrophobicContact CB-CD1 3.98Å; A246-Y255 HydrophobicContact CB-CG 3.94Å; I251-Y255 PolarHBondContact O-N 2.95Å; Y252-Y255 WeakPolarHBondContact O-CB 3.25Å; Y252-Y255 PolarHBondContact O-N 2.79Å; Y255-L257 VanDerWaalsContact C-N 3.29Å; Y255-L257 PolarHBondContact O-N 3.12Å; Y255-E258 PolarHBondContact O-N 3.36Å; Y255-R259 WeakPolarHBondContact O-CB 3.49Å; Y255-R259 PolarHBondContact O-N 2.86Å; Y255-R259 WeakPolarHBondContact OH-CD 3.44Å; Y255-R259 PolarHBondContact OH-NH1 2.8Å; Y255-L282 VanDerWaalsContact CE2-O 3.3Å; Y255-L282 WeakPolarHBondContact CE2-O 3.36Å; Y255-L282 PolarHBondContact OH-O 3.22Å; Y255-L283 HydrophobicContact CE2-CD2 4.29Å
256	C	97.4	Very high	96.8	Very high	25 Å²	25	36.5 Å²	36.5	17%	0.169	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-40.8	176.1	-67.5	0	0	0	0	111.7	I147 Y252 H253 A260	I147-C256 HydrophobicContact CD1-CB 3.96Å; I147-C256 HydrophobicContact CG1-CB 4.04Å; I147-C256 HydrophobicContact CG2-CB 4.06Å; Y252-C256 WeakPolarHBondContact CE1-SG 3.29Å; Y252-C256 PolarHBondContact O-N 2.74Å; Y252-C256 PolarHBondContact O-SG 2.96Å; H253-C256 PolarHBondContact O-N 3.27Å; C256-A260 WeakPolarHBondContact O-CB 3.45Å; C256-A260 PolarHBondContact O-N 2.68Å
257	L	97.2	Very high	96.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-47.1	176.9	-77.9	177.8	0	0	0	112.7	L141 I147 I149 C156 W195 S198 I199 H253 R254 Y255 A260 A261	L141-L257 HydrophobicContact CD2-CD2 4.2Å; I147-L257 HydrophobicContact CD1-CD2 4.3Å; I147-L257 HydrophobicContact CG2-CD2 4.1Å; I147-L257 HydrophobicContact CG2-CG 4.17Å; I149-L257 HydrophobicContact CD1-CD1 4.01Å; I149-L257 HydrophobicContact CD1-CG 4.4Å; C156-L257 WeakPolarHBondContact SG-CD1 3.3Å; W195-L257 HydrophobicContact CE3-CD1 4.29Å; W195-L257 HydrophobicContact CZ3-CD1 4.26Å; S198-L257 WeakPolarHBondContact CB-O 3.37Å; I199-L257 HydrophobicContact CD1-CD1 3.82Å; I199-L257 HydrophobicContact CD1-CD2 3.91Å; I199-L257 HydrophobicContact CD1-CG 4.5Å; I199-L257 HydrophobicContact CG1-CD2 3.72Å; H253-L257 VanDerWaalsContact O-CG 3.3Å; H253-L257 WeakPolarHBondContact O-CG 3.47Å; H253-L257 PolarHBondContact O-N 3.47Å; R254-L257 WeakPolarHBondContact O-CB 3.48Å; R254-L257 PolarHBondContact O-N 3.38Å; Y255-L257 VanDerWaalsContact C-N 3.29Å; Y255-L257 PolarHBondContact O-N 3.12Å; L257-A260 PolarHBondContact O-N 3.27Å; L257-A261 PolarHBondContact O-N 2.92Å
258	E	97.9	Very high	97.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-51.2	175.2	-174.4	177.6	-128.9	0	0	110.7	W195 T220 L221 R254 Y255 A260 A261 V262 L283	W195-E258 HydrophobicContact CB-CB 3.68Å; W195-E258 HydrophobicContact CB-CG 4.06Å; T220-E258 WeakPolarHBondContact CA-OE1 3.46Å; L221-E258 WeakPolarHBondContact CB-OE2 3.48Å; L221-E258 HydrophobicContact CD1-CB 4.12Å; L221-E258 PolarHBondContact N-OE1 3.41Å; L221-E258 PolarHBondContact N-OE2 3.47Å; L221-E258 VanDerWaalsContact N-OE2 3.11Å; R254-E258 PolarHBondContact O-N 2.9Å; Y255-E258 PolarHBondContact O-N 3.36Å; E258-A260 PolarHBondContact O-N 3.46Å; E258-A261 PolarHBondContact O-N 3.26Å; E258-V262 VanDerWaalsContact O-CG2 3.22Å; E258-V262 WeakPolarHBondContact O-CG2 3.4Å; E258-V262 PolarHBondContact O-N 2.95Å; E258-V262 VanDerWaalsContact O-N 3.08Å; E258-L283 HydrophobicContact CB-CD2 4.41Å; E258-L283 HydrophobicContact CG-CD1 4.29Å; E258-L283 HydrophobicContact CG-CD2 3.78Å; E258-L283 WeakPolarHBondContact OE2-CD2 3.44Å
259	R	97.7	Very high	97.3	Very high	74 Å²	74	30.2 Å²	30.2	28%	0.279	14%	0.144	S	C	.	.	H	α-helix	trans	-63.8	-39.8	179	-172.8	167.9	173.2	-168	-9.3	112.1	Y255 A261 V262 H263 L283	Y255-R259 WeakPolarHBondContact O-CB 3.49Å; Y255-R259 PolarHBondContact O-N 2.86Å; Y255-R259 WeakPolarHBondContact OH-CD 3.44Å; Y255-R259 PolarHBondContact OH-NH1 2.8Å; R259-A261 PolarHBondContact O-N 2.92Å; R259-V262 WeakPolarHBondContact O-CB 3.41Å; R259-V262 PolarHBondContact O-N 2.83Å; R259-H263 PolarHBondContact O-CD2 3.3Å; R259-H263 VanDerWaalsContact O-CD2 3.23Å; R259-H263 PolarHBondContact O-N 2.83Å; R259-L283 HydrophobicContact CB-CD2 4.31Å
260	A	97.2	Very high	97.5	Very high	18 Å²	18	27.3 Å²	27.3	15%	0.149	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-44.6	176.1	0	0	0	0	0	111.4	I147 V202 C256 L257 E258 V262 H263 C264	I147-A260 HydrophobicContact CD1-CB 3.72Å; V202-A260 HydrophobicContact CG2-CB 3.97Å; C256-A260 WeakPolarHBondContact O-CB 3.45Å; C256-A260 PolarHBondContact O-N 2.68Å; L257-A260 PolarHBondContact O-N 3.27Å; E258-A260 PolarHBondContact O-N 3.46Å; A260-V262 VanDerWaalsContact C-N 3.34Å; A260-V262 PolarHBondContact O-N 3.36Å; A260-H263 PolarHBondContact O-N 2.87Å; A260-C264 WeakPolarHBondContact O-CB 3.27Å; A260-C264 PolarHBondContact O-N 3.16Å; A260-C264 PolarHBondContact O-SG 2.72Å
261	A	97.8	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-44	176.3	0	0	0	0	0	112.5	F215 L257 E258 R259 H263 C264 A265	F215-A261 HydrophobicContact CD1-CB 4.2Å; F215-A261 HydrophobicContact CD2-CB 3.83Å; F215-A261 HydrophobicContact CE1-CB 4.08Å; F215-A261 HydrophobicContact CE2-CB 3.69Å; F215-A261 HydrophobicContact CG-CB 4.09Å; F215-A261 HydrophobicContact CZ-CB 3.82Å; L257-A261 PolarHBondContact O-N 2.92Å; E258-A261 PolarHBondContact O-N 3.26Å; R259-A261 PolarHBondContact O-N 2.92Å; A261-H263 VanDerWaalsContact C-N 3.34Å; A261-H263 PolarHBondContact O-N 3.14Å; A261-C264 PolarHBondContact O-N 3.47Å; A261-A265 WeakPolarHBondContact O-CB 3.33Å; A261-A265 PolarHBondContact O-N 3.17Å
262	V	98	Very high	97.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-46.2	177	172.2	0	0	0	0	111.3	F215 E258 R259 A260 F268 L283 R285	F215-V262 HydrophobicContact CD1-CB 4.48Å; F215-V262 HydrophobicContact CD1-CG2 3.74Å; F215-V262 HydrophobicContact CE1-CG2 3.58Å; E258-V262 VanDerWaalsContact O-CG2 3.22Å; E258-V262 WeakPolarHBondContact O-CG2 3.4Å; E258-V262 PolarHBondContact O-N 2.95Å; E258-V262 VanDerWaalsContact O-N 3.08Å; R259-V262 WeakPolarHBondContact O-CB 3.41Å; R259-V262 PolarHBondContact O-N 2.83Å; A260-V262 VanDerWaalsContact C-N 3.34Å; A260-V262 PolarHBondContact O-N 3.36Å; V262-F268 HydrophobicContact CB-CD2 4.44Å; V262-F268 HydrophobicContact CB-CE2 4.49Å; V262-F268 HydrophobicContact CG1-CD1 3.84Å; V262-F268 HydrophobicContact CG1-CD2 4.07Å; V262-F268 HydrophobicContact CG1-CE1 3.96Å; V262-F268 HydrophobicContact CG1-CE2 4.18Å; V262-F268 HydrophobicContact CG1-CG 3.91Å; V262-F268 HydrophobicContact CG1-CZ 4.12Å; V262-F268 HydrophobicContact CG2-CD2 4.11Å; V262-F268 HydrophobicContact CG2-CE2 3.75Å; V262-F268 HydrophobicContact CG2-CZ 4.11Å; V262-L283 HydrophobicContact CG1-CB 4.36Å; V262-L283 HydrophobicContact CG2-CB 4.31Å; V262-L283 HydrophobicContact CG2-CD1 3.91Å; V262-L283 HydrophobicContact CG2-CG 4.49Å; V262-R285 HydrophobicContact CG1-CB 3.57Å; V262-R285 HydrophobicContact CG1-CG 4.11Å; V262-R285 WeakPolarHBondContact O-CD 3.49Å; V262-R285 PolarHBondContact O-NH1 2.8Å
263	H	97.9	Very high	97.5	Very high	92 Å²	92	20.7 Å²	20.7	43%	0.426	10%	0.1	S	C	.	.	H	α-helix	trans	-79	-29.1	-178.3	-77.1	-89.2	0	0	0	113.1	R259 A260 A261 L283 R284	R259-H263 PolarHBondContact O-CD2 3.3Å; R259-H263 VanDerWaalsContact O-CD2 3.23Å; R259-H263 PolarHBondContact O-N 2.83Å; A260-H263 PolarHBondContact O-N 2.87Å; A261-H263 VanDerWaalsContact C-N 3.34Å; A261-H263 PolarHBondContact O-N 3.14Å; H263-L283 PolarHBondContact NE2-O 3Å; H263-R284 PolarHBondContact CE1-O 2.83Å
264	C	97.2	Very high	97.4	Very high	33 Å²	33	19.7 Å²	19.7	22%	0.223	10%	0.095	C	C	.	.	H	α-helix	trans	-78.9	-16.2	174.8	-70.8	0	0	0	0	113.2	L201 R205 A260 A261	L201-C264 HydrophobicContact CD2-CB 3.35Å; R205-C264 HydrophobicContact CB-CB 4.34Å; R205-C264 WeakPolarHBondContact CD-O 3.36Å; R205-C264 HydrophobicContact CG-CB 4.19Å; R205-C264 WeakPolarHBondContact CG-O 3.5Å; R205-C264 VanDerWaalsContact CZ-O 3.27Å; R205-C264 PolarHBondContact NE-O 3.02Å; R205-C264 PolarHBondContact NH1-O 3.3Å; A260-C264 WeakPolarHBondContact O-CB 3.27Å; A260-C264 PolarHBondContact O-N 3.16Å; A260-C264 PolarHBondContact O-SG 2.72Å; A261-C264 PolarHBondContact O-N 3.47Å
265	A	98.3	Very high	97.4	Very high	3 Å²	3	18 Å²	18	3%	0.025	9%	0.089	C	C	.	.			trans	-71.6	141.1	180	0	0	0	0	0	111.8	L201 F215 A261 V267 R285	L201-A265 HydrophobicContact CD1-CB 3.94Å; F215-A265 HydrophobicContact CB-CB 3.56Å; A261-A265 WeakPolarHBondContact O-CB 3.33Å; A261-A265 PolarHBondContact O-N 3.17Å; A265-V267 VanDerWaalsContact C-N 3.33Å; A265-V267 WeakPolarHBondContact CB-O 3.19Å; A265-R285 PolarHBondContact O-NH1 2.86Å; A265-R285 PolarHBondContact O-NH2 3.04Å
266	H	98.3	Very high	97.4	Very high	25 Å²	25	18.1 Å²	18.1	12%	0.116	9%	0.091	C	C	.	.	S	Bend	trans	-64.4	-46	168.6	-62.7	92.9	0	0	0	109.5	T213 R285 A625 K628 F629	T213-H266 PolarHBondContact N-ND1 2.93Å; T213-H266 WeakPolarHBondContact O-CB 3.48Å; T213-H266 PolarHBondContact O-N 3.31Å; T213-H266 VanDerWaalsContact O-N 3.08Å; T213-H266 PolarHBondContact OG1-N 3.43Å; T213-H266 PolarHBondContact OG1-ND1 3.04Å; H266-R285 PolarHBondContact O-NH2 3.28Å; H266-A625 HydrophobicContact CB-CB 4.37Å; H266-K628 HydrophobicContact CB-CB 4.29Å; H266-K628 WeakPolarHBondContact O-CD 3.23Å; H266-K628 PolarHBondContact O-NZ 2.9Å; H266-F629 AromaticContact CE1-CD2 3.77Å; H266-F629 AromaticContact NE2-CD2 3.62Å
267	V	98.5	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.2	174.3	171.3	0	0	0	0	109.8	T213 V214 F215 A265 T269 D288 I289 A621 M624 A625 K628	T213-V267 PolarHBondContact O-N 3.31Å; T213-V267 VanDerWaalsContact O-N 3.17Å; V214-V267 CarbonylContact C-O 3.59Å; V214-V267 WeakPolarHBondContact CA-O 3.42Å; V214-V267 HydrophobicContact CG1-CB 4.45Å; V214-V267 HydrophobicContact CG1-CG1 4.26Å; V214-V267 HydrophobicContact CG2-CB 4.38Å; F215-V267 PolarHBondContact N-O 3.27Å; A265-V267 VanDerWaalsContact C-N 3.33Å; A265-V267 WeakPolarHBondContact CB-O 3.19Å; V267-T269 HydrophobicContact CG1-CG2 3.8Å; V267-D288 WeakPolarHBondContact CA-OD2 3.41Å; V267-D288 HydrophobicContact CG1-CB 4.09Å; V267-I289 HydrophobicContact CG1-CG2 4.31Å; V267-A621 HydrophobicContact CG1-CB 4.27Å; V267-M624 HydrophobicContact CG2-CB 3.58Å; V267-A625 HydrophobicContact CB-CB 4.17Å; V267-A625 HydrophobicContact CG2-CB 3.84Å; V267-A625 VanDerWaalsContact CG2-N 3.27Å; V267-K628 HydrophobicContact CG2-CD 4.31Å
268	F	98.6	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.4	173.1	171.5	-129.7	0	0	0	109.3	F215 T217 V262 T270 L283 R285 P287 D288	F215-F268 AromaticContact CD1-CD2 3.85Å; F215-F268 HydrophobicContact CD1-CD2 3.85Å; F215-F268 AromaticContact CD1-CE2 3.98Å; F215-F268 HydrophobicContact CD1-CE2 3.98Å; F215-F268 HydrophobicContact CE1-CE2 4.38Å; F215-F268 CarbonylContact O-C 3.52Å; F215-F268 WeakPolarHBondContact O-CA 3.35Å; T217-F268 HydrophobicContact CG2-CE2 3.6Å; T217-F268 HydrophobicContact CG2-CZ 3.69Å; V262-F268 HydrophobicContact CB-CD2 4.44Å; V262-F268 HydrophobicContact CB-CE2 4.49Å; V262-F268 HydrophobicContact CG1-CD1 3.84Å; V262-F268 HydrophobicContact CG1-CD2 4.07Å; V262-F268 HydrophobicContact CG1-CE1 3.96Å; V262-F268 HydrophobicContact CG1-CE2 4.18Å; V262-F268 HydrophobicContact CG1-CG 3.91Å; V262-F268 HydrophobicContact CG1-CZ 4.12Å; V262-F268 HydrophobicContact CG2-CD2 4.11Å; V262-F268 HydrophobicContact CG2-CE2 3.75Å; V262-F268 HydrophobicContact CG2-CZ 4.11Å; F268-T270 HydrophobicContact CE1-CG2 4.17Å; F268-T270 HydrophobicContact CE2-CG2 4.21Å; F268-T270 HydrophobicContact CZ-CG2 3.62Å; F268-L283 HydrophobicContact CZ-CD1 4.37Å; F268-R285 HydrophobicContact CD1-CB 4.33Å; F268-R285 HydrophobicContact CD1-CG 3.98Å; F268-R285 WeakPolarHBondContact CE1-O 3.39Å; F268-P287 HydrophobicContact CD1-CB 4.09Å; F268-P287 HydrophobicContact CE1-CB 4.09Å; F268-P287 CarbonylContact O-C 3.51Å; F268-P287 WeakPolarHBondContact O-CA 3.35Å; F268-D288 PolarHBondContact N-OD2 2.86Å; F268-D288 PolarHBondContact O-N 2.9Å
269	T	98.6	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155	177.8	85.3	0	0	0	0	111.1	V214 F215 T216 T217 V267 I289 T291 A621	V214-T269 HydrophobicContact CG1-CG2 3.99Å; F215-T269 PolarHBondContact O-N 3.23Å; T216-T269 WeakPolarHBondContact CA-O 3.22Å; T216-T269 WeakPolarHBondContact CB-OG1 3.28Å; T216-T269 WeakPolarHBondContact CG2-OG1 3.47Å; T216-T269 PolarHBondContact OG1-OG1 3.08Å; T217-T269 PolarHBondContact N-O 2.89Å; T217-T269 VanDerWaalsContact N-O 3.13Å; V267-T269 HydrophobicContact CG1-CG2 3.8Å; T269-I289 VanDerWaalsContact CA-O 3.24Å; T269-I289 WeakPolarHBondContact CA-O 3.46Å; T269-I289 WeakPolarHBondContact CB-O 3.3Å; T269-I289 HydrophobicContact CG2-CG2 3.47Å; T269-I289 VanDerWaalsContact CG2-CG2 3.47Å; T269-T291 HydrophobicContact CG2-CG2 4.12Å; T269-T291 PolarHBondContact OG1-OG1 3.19Å; T269-T291 VanDerWaalsContact OG1-OG1 3.07Å; T269-A621 HydrophobicContact CG2-CB 3.93Å
270	T	98.2	Very high	97.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.3	168.6	61.7	0	0	0	0	109.2	T217 F268 S272 T275 G276 S279 P287 I290 T291	T217-T270 HydrophobicContact CG2-CG2 3.54Å; T217-T270 WeakPolarHBondContact O-CA 3.12Å; F268-T270 HydrophobicContact CE1-CG2 4.17Å; F268-T270 HydrophobicContact CE2-CG2 4.21Å; F268-T270 HydrophobicContact CZ-CG2 3.62Å; T270-S272 VanDerWaalsContact C-N 3.3Å; T270-S272 PolarHBondContact O-N 3.27Å; T270-S272 PolarHBondContact OG1-O 3.04Å; T270-T275 HydrophobicContact CG2-CG2 4.19Å; T270-G276 WeakPolarHBondContact OG1-CA 3.27Å; T270-G276 PolarHBondContact OG1-N 2.85Å; T270-S279 WeakPolarHBondContact CG2-OG 3.42Å; T270-P287 HydrophobicContact CG2-CB 4Å; T270-P287 HydrophobicContact CG2-CG 4.13Å; T270-I290 CarbonylContact O-C 3.56Å; T270-I290 WeakPolarHBondContact O-CA 3.28Å; T270-I290 WeakPolarHBondContact OG1-CD1 3.35Å; T270-T291 PolarHBondContact O-N 3.38Å; T270-T291 PolarHBondContact O-OG1 3.27Å
271	V	97.1	Very high	97.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	10%	0.103	C	C	.	.	S	Bend	trans	-78.5	-12.8	-178.8	-63.9	0	0	0	0	114.3	T216 H218 T291 P292 P524 W525	T216-V271 HydrophobicContact CG2-CG1 4.2Å; H218-V271 HydrophobicContact CB-CG1 4.43Å; H218-V271 WeakPolarHBondContact ND1-CG1 3.47Å; H218-V271 WeakPolarHBondContact O-CG2 3.37Å; V271-T291 WeakPolarHBondContact CA-O 3.49Å; V271-P292 WeakPolarHBondContact O-CA 3.39Å; V271-P524 HydrophobicContact CG2-CB 4.42Å; V271-W525 HydrophobicContact CG2-CB 4.3Å; V271-W525 VanDerWaalsContact O-CE3 3.29Å; V271-W525 WeakPolarHBondContact O-CZ3 3.14Å
272	S	96.5	Very high	97	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	10%	0.103	C	C	.	.	S	Bend	trans	-154.4	162.6	178.1	72.7	0	0	0	0	112.5	T270 I274 T275 G276 P524	T270-S272 VanDerWaalsContact C-N 3.3Å; T270-S272 PolarHBondContact O-N 3.27Å; T270-S272 PolarHBondContact OG1-O 3.04Å; S272-I274 VanDerWaalsContact C-N 3.32Å; S272-I274 PolarHBondContact O-N 2.94Å; S272-I274 VanDerWaalsContact OG-CG2 3.32Å; S272-I274 WeakPolarHBondContact OG-CG2 3.22Å; S272-T275 PolarHBondContact O-N 3.3Å; S272-T275 PolarHBondContact OG-N 3.16Å; S272-T275 PolarHBondContact OG-OG1 3.05Å; S272-G276 PolarHBondContact O-N 3.48Å; S272-P524 WeakPolarHBondContact CB-O 3.43Å; S272-P524 PolarHBondContact OG-O 3.26Å
273	K	94.2	Very high	96.9	Very high	102 Å²	102	21.6 Å²	21.6	44%	0.443	10%	0.103	S	C	.	.	H	α-helix	trans	-61.3	-37.5	174.7	-76.8	-173.5	170.5	176.1	0	113	G276 L277 I290 E553	K273-G276 WeakPolarHBondContact O-CA 3.26Å; K273-G276 PolarHBondContact O-N 2.82Å; K273-L277 PolarHBondContact O-N 3.07Å; K273-I290 HydrophobicContact CG-CG1 4.2Å; K273-E553 VanDerWaalsContact CE-CD 3.47Å; K273-E553 WeakPolarHBondContact CE-OE1 3.45Å; K273-E553 WeakPolarHBondContact CE-OE2 3.29Å; K273-E553 IonicContact NZ-OE1 2.75Å; K273-E553 PolarHBondContact NZ-OE1 3.09Å; K273-E553 IonicContact NZ-OE2 2.69Å; K273-E553 PolarHBondContact NZ-OE2 3.07Å
274	I	95.3	Very high	96.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-68.9	-41.3	-179.9	-167.5	65.2	0	0	0	111.1	Y234 S272 G276 L277 E278 L544	Y234-I274 HydrophobicContact CD1-CD1 3.87Å; Y234-I274 HydrophobicContact CD1-CG1 4.3Å; Y234-I274 HydrophobicContact CE1-CD1 3.67Å; Y234-I274 HydrophobicContact CE1-CG1 3.58Å; S272-I274 VanDerWaalsContact C-N 3.32Å; S272-I274 PolarHBondContact O-N 2.94Å; S272-I274 VanDerWaalsContact OG-CG2 3.32Å; S272-I274 WeakPolarHBondContact OG-CG2 3.22Å; I274-G276 VanDerWaalsContact C-N 3.26Å; I274-G276 PolarHBondContact O-N 2.78Å; I274-L277 HydrophobicContact CD1-CD2 4.14Å; I274-L277 WeakPolarHBondContact O-CB 3.3Å; I274-L277 PolarHBondContact O-N 3.01Å; I274-E278 PolarHBondContact O-N 3.31Å; I274-L544 HydrophobicContact CD1-CD2 3.84Å; I274-L544 HydrophobicContact CG1-CD2 4.33Å
275	T	96.5	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.2	-30.8	171	-48.8	0	0	0	0	111.5	T270 S272 E278 S279 P524	T270-T275 HydrophobicContact CG2-CG2 4.19Å; S272-T275 PolarHBondContact O-N 3.3Å; S272-T275 PolarHBondContact OG-N 3.16Å; S272-T275 PolarHBondContact OG-OG1 3.05Å; T275-E278 PolarHBondContact O-N 3.27Å; T275-S279 WeakPolarHBondContact O-CB 3.15Å; T275-S279 PolarHBondContact O-N 3.36Å; T275-S279 PolarHBondContact O-OG 3.21Å; T275-P524 WeakPolarHBondContact OG1-CA 3.34Å; T275-P524 PolarHBondContact OG1-O 3.36Å
276	G	96.7	Very high	96.8	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-44.6	173.3	0	0	0	0	0	112.9	T270 S272 K273 I274 S279 K280	T270-G276 WeakPolarHBondContact OG1-CA 3.27Å; T270-G276 PolarHBondContact OG1-N 2.85Å; S272-G276 PolarHBondContact O-N 3.48Å; K273-G276 WeakPolarHBondContact O-CA 3.26Å; K273-G276 PolarHBondContact O-N 2.82Å; I274-G276 VanDerWaalsContact C-N 3.26Å; I274-G276 PolarHBondContact O-N 2.78Å; G276-S279 PolarHBondContact O-N 3.39Å; G276-K280 PolarHBondContact O-N 3.23Å
277	L	95.5	Very high	96.8	Very high	42 Å²	42	28.6 Å²	28.6	22%	0.22	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-48.7	172.4	-179.8	72.9	0	0	0	111	L237 K273 I274 S279 K280 F281	L237-L277 HydrophobicContact CD1-CD2 4.03Å; L237-L277 HydrophobicContact CD1-CG 4.01Å; K273-L277 PolarHBondContact O-N 3.07Å; I274-L277 HydrophobicContact CD1-CD2 4.14Å; I274-L277 WeakPolarHBondContact O-CB 3.3Å; I274-L277 PolarHBondContact O-N 3.01Å; L277-S279 VanDerWaalsContact C-N 3.32Å; L277-S279 PolarHBondContact O-N 2.94Å; L277-K280 WeakPolarHBondContact O-CB 3.43Å; L277-K280 PolarHBondContact O-N 3.2Å; L277-F281 HydrophobicContact CD1-CD2 4.41Å; L277-F281 HydrophobicContact CD1-CE2 3.78Å; L277-F281 HydrophobicContact CG-CE2 4.33Å; L277-F281 VanDerWaalsContact O-CD2 3.27Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-F281 PolarHBondContact O-N 3.16Å
278	E	95.3	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.3	-47.5	175.9	-178.8	-173.4	155.3	0	0	111.1	T220 G223 I274 T275 K280 F281 L282 Y522	T220-E278 VanDerWaalsContact CB-OE1 3.25Å; T220-E278 WeakPolarHBondContact CB-OE1 3.33Å; T220-E278 HydrophobicContact CG2-CB 4.44Å; T220-E278 HydrophobicContact CG2-CG 3.72Å; T220-E278 VanDerWaalsContact CG2-OE1 3.3Å; T220-E278 WeakPolarHBondContact CG2-OE1 3.36Å; T220-E278 PolarHBondContact N-OE1 3.23Å; T220-E278 PolarHBondContact OG1-OE1 3.05Å; G223-E278 VanDerWaalsContact CA-OE1 3.29Å; G223-E278 WeakPolarHBondContact CA-OE1 3.4Å; I274-E278 PolarHBondContact O-N 3.31Å; T275-E278 PolarHBondContact O-N 3.27Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 3.44Å; E278-F281 PolarHBondContact O-N 2.86Å; E278-F281 VanDerWaalsContact O-N 3.16Å; E278-L282 HydrophobicContact CG-CD1 3.55Å; E278-L282 HydrophobicContact CG-CG 4.17Å; E278-L282 WeakPolarHBondContact O-CB 3.48Å; E278-L282 WeakPolarHBondContact O-CG 3.31Å; E278-L282 PolarHBondContact O-N 2.71Å; E278-Y522 PolarHBondContact OE1-OH 2.86Å; E278-Y522 WeakPolarHBondContact OE2-CE2 3.36Å
279	S	96.7	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-36.2	179.9	-59	0	0	0	0	113	T270 T275 G276 L277 F281 L283 R284 R285	T270-S279 WeakPolarHBondContact CG2-OG 3.42Å; T275-S279 WeakPolarHBondContact O-CB 3.15Å; T275-S279 PolarHBondContact O-N 3.36Å; T275-S279 PolarHBondContact O-OG 3.21Å; G276-S279 PolarHBondContact O-N 3.39Å; L277-S279 VanDerWaalsContact C-N 3.32Å; L277-S279 PolarHBondContact O-N 2.94Å; S279-F281 PolarHBondContact O-N 3.48Å; S279-L283 CarbonylContact O-C 3.47Å; S279-L283 VanDerWaalsContact O-CA 3.28Å; S279-L283 WeakPolarHBondContact O-CA 3.3Å; S279-L283 VanDerWaalsContact O-CB 3.3Å; S279-L283 WeakPolarHBondContact O-CB 3.28Å; S279-L283 PolarHBondContact O-N 3.24Å; S279-R284 PolarHBondContact O-N 3.37Å; S279-R284 VanDerWaalsContact O-N 3.1Å; S279-R285 CarbonylContact C-O 3.58Å; S279-R285 VanDerWaalsContact C-O 3.31Å
280	K	96.8	Very high	96.5	Very high	89 Å²	89	33.8 Å²	33.8	39%	0.387	15%	0.154	S	C	.	.	H	α-helix	trans	-56	-41.2	174.8	-179.4	178.4	-175.4	145.9	0	111.9	G276 L277 E278 R284 R285 E286	G276-K280 PolarHBondContact O-N 3.23Å; L277-K280 WeakPolarHBondContact O-CB 3.43Å; L277-K280 PolarHBondContact O-N 3.2Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 3.44Å; K280-R284 WeakPolarHBondContact O-CA 3.44Å; K280-R285 PolarHBondContact N-O 3.33Å; K280-E286 HydrophobicContact CB-CB 4.47Å; K280-E286 WeakPolarHBondContact CE-OE2 3.38Å; K280-E286 HydrophobicContact CG-CB 4.46Å; K280-E286 IonicContact NZ-OE1 3.74Å; K280-E286 IonicContact NZ-OE2 2.6Å; K280-E286 PolarHBondContact NZ-OE2 2.5Å
281	F	96.5	Very high	96.4	Very high	59 Å²	59	33.8 Å²	33.8	26%	0.259	15%	0.154	S	C	.	.	H	α-helix	trans	-88.7	-48.6	-178.9	-67.7	-79.9	0	0	0	112.7	L237 L242 L277 E278 S279 R284	L237-F281 HydrophobicContact CB-CB 4.05Å; L237-F281 HydrophobicContact CB-CD1 4.48Å; L237-F281 HydrophobicContact CB-CD2 3.83Å; L237-F281 HydrophobicContact CB-CE2 4.43Å; L237-F281 HydrophobicContact CB-CG 3.87Å; L237-F281 HydrophobicContact CD1-CD2 3.98Å; L237-F281 HydrophobicContact CD1-CE2 4.45Å; L237-F281 HydrophobicContact CG-CD2 4.46Å; L242-F281 WeakPolarHBondContact CD1-O 3.35Å; L277-F281 HydrophobicContact CD1-CD2 4.41Å; L277-F281 HydrophobicContact CD1-CE2 3.78Å; L277-F281 HydrophobicContact CG-CE2 4.33Å; L277-F281 VanDerWaalsContact O-CD2 3.27Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-F281 PolarHBondContact O-N 3.16Å; E278-F281 PolarHBondContact O-N 2.86Å; E278-F281 VanDerWaalsContact O-N 3.16Å; S279-F281 PolarHBondContact O-N 3.48Å; F281-R284 VanDerWaalsContact O-CD 3.31Å; F281-R284 WeakPolarHBondContact O-CD 3.39Å; F281-R284 PolarHBondContact O-NE 2.99Å
282	L	96.3	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-81.5	-31.9	-172.6	-55.2	-172.1	0	0	0	113	T220 L222 L237 L242 Y255 E278	T220-L282 WeakPolarHBondContact OG1-CD1 3.31Å; L222-L282 HydrophobicContact CB-CD1 4.05Å; L237-L282 HydrophobicContact CD2-CD2 4.32Å; L237-L282 HydrophobicContact CD2-CG 4.33Å; L242-L282 WeakPolarHBondContact CD1-O 3.23Å; L242-L282 HydrophobicContact CD2-CD2 3.54Å; Y255-L282 VanDerWaalsContact CE2-O 3.3Å; Y255-L282 WeakPolarHBondContact CE2-O 3.36Å; Y255-L282 PolarHBondContact OH-O 3.22Å; E278-L282 HydrophobicContact CG-CD1 3.55Å; E278-L282 HydrophobicContact CG-CG 4.17Å; E278-L282 WeakPolarHBondContact O-CB 3.48Å; E278-L282 WeakPolarHBondContact O-CG 3.31Å; E278-L282 PolarHBondContact O-N 2.71Å
283	L	97	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-3.6	-179.8	-58.4	170.8	0	0	0	112.8	T217 T220 Y255 E258 R259 V262 H263 F268 S279 R285	T217-L283 HydrophobicContact CG2-CD1 4.38Å; T220-L283 HydrophobicContact CG2-CD1 3.64Å; T220-L283 HydrophobicContact CG2-CG 4.2Å; Y255-L283 HydrophobicContact CE2-CD2 4.29Å; E258-L283 HydrophobicContact CB-CD2 4.41Å; E258-L283 HydrophobicContact CG-CD1 4.29Å; E258-L283 HydrophobicContact CG-CD2 3.78Å; E258-L283 WeakPolarHBondContact OE2-CD2 3.44Å; R259-L283 HydrophobicContact CB-CD2 4.31Å; V262-L283 HydrophobicContact CG1-CB 4.36Å; V262-L283 HydrophobicContact CG2-CB 4.31Å; V262-L283 HydrophobicContact CG2-CD1 3.91Å; V262-L283 HydrophobicContact CG2-CG 4.49Å; H263-L283 PolarHBondContact NE2-O 3Å; F268-L283 HydrophobicContact CZ-CD1 4.37Å; S279-L283 CarbonylContact O-C 3.47Å; S279-L283 VanDerWaalsContact O-CA 3.28Å; S279-L283 WeakPolarHBondContact O-CA 3.3Å; S279-L283 VanDerWaalsContact O-CB 3.3Å; S279-L283 WeakPolarHBondContact O-CB 3.28Å; S279-L283 PolarHBondContact O-N 3.24Å; L283-R285 PolarHBondContact O-N 3.27Å
284	R	96.6	Very high	96.2	Very high	119 Å²	119	29 Å²	29	45%	0.449	13%	0.134	S	C	.	.	S	Bend	trans	58.1	30.8	177.6	-53.5	-64.3	-174.9	-178.9	-2.6	113.4	L242 H263 S279 K280 F281	L242-R284 HydrophobicContact CD1-CG 4.39Å; L242-R284 VanDerWaalsContact CD1-NE 3.35Å; H263-R284 PolarHBondContact CE1-O 2.83Å; S279-R284 PolarHBondContact O-N 3.37Å; S279-R284 VanDerWaalsContact O-N 3.1Å; K280-R284 WeakPolarHBondContact O-CA 3.44Å; F281-R284 VanDerWaalsContact O-CD 3.31Å; F281-R284 WeakPolarHBondContact O-CD 3.39Å; F281-R284 PolarHBondContact O-NE 2.99Å
285	R	97.4	Very high	95.9	Very high	46 Å²	46	29.8 Å²	29.8	17%	0.174	14%	0.138	C	C	.	.			trans	-149.4	130.4	172.7	-174.3	177.1	171.8	169.4	-1.5	109.2	V262 A265 H266 F268 S279 K280 L283 D288	V262-R285 HydrophobicContact CG1-CB 3.57Å; V262-R285 HydrophobicContact CG1-CG 4.11Å; V262-R285 WeakPolarHBondContact O-CD 3.49Å; V262-R285 PolarHBondContact O-NH1 2.8Å; A265-R285 PolarHBondContact O-NH1 2.86Å; A265-R285 PolarHBondContact O-NH2 3.04Å; H266-R285 PolarHBondContact O-NH2 3.28Å; F268-R285 HydrophobicContact CD1-CB 4.33Å; F268-R285 HydrophobicContact CD1-CG 3.98Å; F268-R285 WeakPolarHBondContact CE1-O 3.39Å; S279-R285 CarbonylContact C-O 3.58Å; S279-R285 VanDerWaalsContact C-O 3.31Å; K280-R285 PolarHBondContact N-O 3.33Å; L283-R285 PolarHBondContact O-N 3.27Å; R285-D288 IonicContact CZ-OD2 3.69Å; R285-D288 IonicContact NE-OD2 3.21Å; R285-D288 IonicContact NH2-OD1 2.71Å; R285-D288 IonicContact NH2-OD2 3.81Å; R285-D288 PolarHBondContact NH2-OD2 3.38Å
286	E	96.5	Very high	95.3	Very high	114 Å²	114	31.9 Å²	31.9	53%	0.533	15%	0.149	S	C	.	.			trans	-78.5	138.1	171.7	-164.9	162.3	175.7	0	0	109	K280	K280-E286 HydrophobicContact CB-CB 4.47Å; K280-E286 WeakPolarHBondContact CE-OE2 3.38Å; K280-E286 HydrophobicContact CG-CB 4.46Å; K280-E286 IonicContact NZ-OE1 3.74Å; K280-E286 IonicContact NZ-OE2 2.6Å; K280-E286 PolarHBondContact NZ-OE2 2.5Å
287	P	97.7	Very high	94.6	Very high	21 Å²	21	32.5 Å²	32.5	14%	0.136	15%	0.152	C	C	.	.			trans	-62.9	138.9	177.4	28.1	-36.6	0	0	0	111	F268 T270 I289 I290	F268-P287 HydrophobicContact CD1-CB 4.09Å; F268-P287 HydrophobicContact CE1-CB 4.09Å; F268-P287 CarbonylContact O-C 3.51Å; F268-P287 WeakPolarHBondContact O-CA 3.35Å; T270-P287 HydrophobicContact CG2-CB 4Å; T270-P287 HydrophobicContact CG2-CG 4.13Å; P287-I289 VanDerWaalsContact C-N 3.29Å; P287-I290 HydrophobicContact CB-CD1 4.31Å; P287-I290 HydrophobicContact CG-CD1 3.75Å
288	D	96.3	Very high	93.4	Very high	54 Å²	54	35.7 Å²	35.7	29%	0.289	17%	0.173	S	C	.	.	S	Bend	trans	-68.1	-32	175.6	-64.3	-82.1	0	0	0	111.3	V267 F268 R285 M624 K628	V267-D288 WeakPolarHBondContact CA-OD2 3.41Å; V267-D288 HydrophobicContact CG1-CB 4.09Å; F268-D288 PolarHBondContact N-OD2 2.86Å; F268-D288 PolarHBondContact O-N 2.9Å; R285-D288 IonicContact CZ-OD2 3.69Å; R285-D288 IonicContact NE-OD2 3.21Å; R285-D288 IonicContact NH2-OD1 2.71Å; R285-D288 IonicContact NH2-OD2 3.81Å; R285-D288 PolarHBondContact NH2-OD2 3.38Å; D288-M624 HydrophobicContact CB-CE 3.89Å; D288-K628 IonicContact OD1-NZ 2.95Å; D288-K628 PolarHBondContact OD1-NZ 3.25Å; D288-K628 IonicContact OD2-NZ 3.36Å
289	I	95.5	Very high	91.7	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.077	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149.6	176.9	-173.5	168	0	0	0	110.6	V267 T269 P287 Y617 R620 A621 M624	V267-I289 HydrophobicContact CG1-CG2 4.31Å; T269-I289 VanDerWaalsContact CA-O 3.24Å; T269-I289 WeakPolarHBondContact CA-O 3.46Å; T269-I289 WeakPolarHBondContact CB-O 3.3Å; T269-I289 HydrophobicContact CG2-CG2 3.47Å; T269-I289 VanDerWaalsContact CG2-CG2 3.47Å; P287-I289 VanDerWaalsContact C-N 3.29Å; I289-Y617 HydrophobicContact CD1-CD1 4.2Å; I289-Y617 HydrophobicContact CG1-CD1 4.4Å; I289-R620 HydrophobicContact CD1-CB 3.78Å; I289-R620 VanDerWaalsContact CD1-CD 3.47Å; I289-R620 HydrophobicContact CD1-CG 3.54Å; I289-A621 HydrophobicContact CG2-CB 3.8Å; I289-M624 HydrophobicContact CB-SD 4.35Å; I289-M624 HydrophobicContact CG2-SD 4.38Å
290	I	97	Very high	89.7	Confident	41 Å²	41	44.4 Å²	44.4	21%	0.21	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.3	171.6	-54	-56.2	0	0	0	109.3	T270 K273 P287 P292 Y617	T270-I290 CarbonylContact O-C 3.56Å; T270-I290 WeakPolarHBondContact O-CA 3.28Å; T270-I290 WeakPolarHBondContact OG1-CD1 3.35Å; K273-I290 HydrophobicContact CG-CG1 4.2Å; P287-I290 HydrophobicContact CB-CD1 4.31Å; P287-I290 HydrophobicContact CG-CD1 3.75Å; I290-P292 VanDerWaalsContact O-CD 3.28Å; I290-P292 WeakPolarHBondContact O-CD 3.35Å; I290-Y617 WeakPolarHBondContact O-CD1 3.49Å
291	T	96.6	Very high	87.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.			trans	-114.3	80	178.1	48.8	0	0	0	0	109.8	T269 T270 V271 Y618 A621	T269-T291 HydrophobicContact CG2-CG2 4.12Å; T269-T291 PolarHBondContact OG1-OG1 3.19Å; T269-T291 VanDerWaalsContact OG1-OG1 3.07Å; T270-T291 PolarHBondContact O-N 3.38Å; T270-T291 PolarHBondContact O-OG1 3.27Å; V271-T291 WeakPolarHBondContact CA-O 3.49Å; T291-Y618 HydrophobicContact CG2-CD2 4.26Å; T291-Y618 HydrophobicContact CG2-CE2 4.33Å; T291-A621 HydrophobicContact CG2-CB 4.39Å
292	P	96.5	Very high	85.4	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.019	24%	0.237	C	C	.	.			trans	-59.7	148.6	-178	26.6	-35.1	0	0	0	111.8	V271 I290 W525 F550 L614 Y617	V271-P292 WeakPolarHBondContact O-CA 3.39Å; I290-P292 VanDerWaalsContact O-CD 3.28Å; I290-P292 WeakPolarHBondContact O-CD 3.35Å; P292-W525 HydrophobicContact CB-CH2 3.36Å; P292-W525 HydrophobicContact CB-CZ2 4.26Å; P292-W525 HydrophobicContact CB-CZ3 3.53Å; P292-F550 HydrophobicContact CB-CD2 3.98Å; P292-F550 HydrophobicContact CB-CE2 4.1Å; P292-F550 HydrophobicContact CG-CD2 4.26Å; P292-F550 HydrophobicContact CG-CE2 3.98Å; P292-L614 HydrophobicContact CB-CD1 4.39Å; P292-L614 HydrophobicContact CG-CD1 4.43Å; P292-L614 HydrophobicContact CG-CD2 3.95Å; P292-Y617 HydrophobicContact CG-CD2 3.68Å; P292-Y617 HydrophobicContact CG-CE2 3.82Å; P292-Y617 HydrophobicContact CG-CG 4.27Å
293	N	95	Very high	84	Confident	2 Å²	2	50 Å²	50	1%	0.011	27%	0.267	C	S	.	.			trans	-87	117.6	-178.3	-62.9	-47.7	0	0	0	110.9	V54 W525 Y527	V54-N293 HydrophobicContact CG2-CB 4.29Å; V54-N293 WeakPolarHBondContact CG2-OD1 3.32Å; N293-W525 HydrophobicContact CB-CD2 3.98Å; N293-W525 HydrophobicContact CB-CG 3.94Å; N293-W525 HydrophobicContact CB-CZ2 4.42Å; N293-W525 VanDerWaalsContact O-CE2 3.25Å; N293-W525 WeakPolarHBondContact O-CZ2 3.17Å; N293-W525 PolarHBondContact O-NE1 2.94Å; N293-Y527 HydrophobicContact CB-CE1 3.87Å; N293-Y527 VanDerWaalsContact CG-OH 3.27Å; N293-Y527 PolarHBondContact ND2-OH 3.43Å
294	G	92.6	Very high	83.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.			trans	-85.6	176.9	171.7	0	0	0	0	0	114.4	L609 W611	G294-L609 CarbonylContact C-O 3.53Å; G294-L609 WeakPolarHBondContact CA-O 3.32Å; G294-W611 VanDerWaalsContact C-CE2 3.41Å; G294-W611 VanDerWaalsContact O-CE2 3.28Å; G294-W611 WeakPolarHBondContact O-CZ2 3.47Å; G294-W611 PolarHBondContact O-NE1 3.08Å
295	L	88.9	Confident	82.6	Confident	17 Å²	17	53.1 Å²	53.1	9%	0.089	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-131.4	160	173.8	-66.7	170	0	0	0	109.3	V297 Y527 A530 E531 V534 L609 D610 W611	L295-V297 PolarHBondContact O-N 3.43Å; L295-Y527 HydrophobicContact CD2-CD1 4.4Å; L295-A530 HydrophobicContact CD1-CB 3.97Å; L295-E531 HydrophobicContact CD1-CG 4.02Å; L295-V534 HydrophobicContact CB-CG2 4.48Å; L295-V534 HydrophobicContact CD1-CG2 3.9Å; L295-L609 PolarHBondContact N-O 2.8Å; L295-D610 WeakPolarHBondContact O-CA 3.49Å; L295-W611 PolarHBondContact O-N 3.32Å
296	N	83.6	Confident	82.2	Confident	43 Å²	43	51.3 Å²	51.3	23%	0.23	28%	0.28	C	S	.	.			trans	-83.8	108.4	169.3	-71.2	-4.8	0	0	0	108.5	T57 E117 V298	T57-N296 PolarHBondContact O-ND2 2.86Å; T57-N296 PolarHBondContact O-OD1 3.45Å; E117-N296 PolarHBondContact OE2-ND2 2.72Å; N296-V298 PolarHBondContact O-N 2.85Å
297	V	81.3	Confident	81.9	Confident	17 Å²	17	47 Å²	47	10%	0.103	26%	0.26	C	S	.	.			trans	-89.2	102.5	178.4	-175.9	0	0	0	0	108.9	L295 K299 V534 S606 D610	L295-V297 PolarHBondContact O-N 3.43Å; V297-K299 PolarHBondContact O-N 3.23Å; V297-K299 VanDerWaalsContact O-N 3.13Å; V297-V534 HydrophobicContact CG1-CG1 4.22Å; V297-V534 HydrophobicContact CG2-CG1 4.06Å; V297-V534 HydrophobicContact CG2-CG2 3.89Å; V297-S606 WeakPolarHBondContact CG2-O 3.29Å; V297-D610 HydrophobicContact CB-CB 4.33Å; V297-D610 WeakPolarHBondContact CB-OD2 3.38Å; V297-D610 HydrophobicContact CG2-CB 3.91Å; V297-D610 PolarHBondContact N-OD2 2.89Å
298	V	70.8	Confident	81.7	Confident	109 Å²	109	50.5 Å²	50.5	66%	0.661	28%	0.278	S	S	*	.			trans	-75.3	102.4	171.3	-173.7	0	0	0	0	108	N296 F300	N296-V298 PolarHBondContact O-N 2.85Å; V298-F300 PolarHBondContact O-N 3.08Å
299	K	59.5	Low	81.5	Confident	127 Å²	127	52.5 Å²	52.5	55%	0.552	28%	0.281	S	S	*	.			trans	-68.8	123.5	173	-74.2	-169.3	174.2	-172.8	0	110	V297 E607	V297-K299 PolarHBondContact O-N 3.23Å; V297-K299 VanDerWaalsContact O-N 3.13Å; K299-E607 WeakPolarHBondContact CE-OE1 3.47Å; K299-E607 IonicContact NZ-OE1 3.28Å; K299-E607 PolarHBondContact NZ-OE1 3.49Å
300	F	54.8	Low	81.5	Confident	56 Å²	56	52.3 Å²	52.3	25%	0.246	28%	0.28	C	S	.	.			trans	-68	143.7	167.3	-62.5	-70.2	0	0	0	109.5	V298 A302 E305 R309	V298-F300 PolarHBondContact O-N 3.08Å; F300-A302 PolarHBondContact O-N 2.8Å; F300-A302 VanDerWaalsContact O-N 3.17Å; F300-E305 HydrophobicContact CB-CB 4.02Å; F300-E305 HydrophobicContact CD1-CG 4.4Å; F300-E305 WeakPolarHBondContact CD1-OE2 3.38Å; F300-E305 HydrophobicContact CG-CB 4.2Å; F300-E305 HydrophobicContact CG-CG 4.47Å; F300-R309 VanDerWaalsContact CE1-NH2 3.29Å
301	A	45.6	Very low	81.5	Confident	114 Å²	114	53.1 Å²	53.1	94%	0.942	29%	0.293	S	S	*	.	S	Bend	trans	-60.8	-25.5	178.2	0	0	0	0	0	112.3
302	A	58	Low	81.5	Confident	31 Å²	31	59 Å²	59	26%	0.256	32%	0.324	S	S	.	.	S	Bend	trans	-119.6	121	174.8	0	0	0	0	0	110.8	F300 H304 E305	F300-A302 PolarHBondContact O-N 2.8Å; F300-A302 VanDerWaalsContact O-N 3.17Å; A302-H304 PolarHBondContact O-N 2.89Å; A302-H304 VanDerWaalsContact O-N 3.08Å; A302-E305 VanDerWaalsContact O-CB 3.29Å; A302-E305 WeakPolarHBondContact O-CB 3.38Å; A302-E305 PolarHBondContact O-N 3.01Å
303	L	67.2	Low	81.5	Confident	122 Å²	122	59 Å²	59	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.9	177.3	-95.1	152.6	0	0	0	113.5	F306	L303-F306 WeakPolarHBondContact O-CD1 3.2Å; L303-F306 WeakPolarHBondContact O-CE1 3.45Å
304	H	78.6	Confident	81.6	Confident	123 Å²	123	59.9 Å²	59.9	57%	0.569	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.7	179.8	59.7	-92.2	0	0	0	113.9	A302 F306 Q307 N308	A302-H304 PolarHBondContact O-N 2.89Å; A302-H304 VanDerWaalsContact O-N 3.08Å; H304-F306 VanDerWaalsContact C-N 3.32Å; H304-F306 PolarHBondContact O-N 3.29Å; H304-Q307 WeakPolarHBondContact O-CB 3.46Å; H304-Q307 PolarHBondContact O-N 3.23Å; H304-N308 PolarHBondContact O-N 3.27Å
305	E	86.1	Confident	81.8	Confident	61 Å²	61	64 Å²	64	29%	0.285	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-38.3	-178.9	-168	-176.5	154.7	0	0	111.7	F300 A302 Q307 N308 R309	F300-E305 HydrophobicContact CB-CB 4.02Å; F300-E305 HydrophobicContact CD1-CG 4.4Å; F300-E305 WeakPolarHBondContact CD1-OE2 3.38Å; F300-E305 HydrophobicContact CG-CB 4.2Å; F300-E305 HydrophobicContact CG-CG 4.47Å; A302-E305 VanDerWaalsContact O-CB 3.29Å; A302-E305 WeakPolarHBondContact O-CB 3.38Å; A302-E305 PolarHBondContact O-N 3.01Å; E305-Q307 VanDerWaalsContact C-N 3.26Å; E305-Q307 PolarHBondContact O-N 2.87Å; E305-N308 WeakPolarHBondContact O-CB 3.35Å; E305-N308 PolarHBondContact O-N 3.42Å; E305-N308 VanDerWaalsContact O-N 3.16Å; E305-R309 WeakPolarHBondContact O-CG 3.25Å; E305-R309 PolarHBondContact O-N 3.19Å; E305-R309 IonicContact OE1-CZ 3.69Å; E305-R309 IonicContact OE1-NE 3.5Å; E305-R309 PolarHBondContact OE1-NE 3.29Å; E305-R309 VanDerWaalsContact OE1-NE 3.1Å; E305-R309 IonicContact OE1-NH2 3.6Å; E305-R309 PolarHBondContact OE1-NH2 3.06Å
306	F	87.8	Confident	82.2	Confident	7 Å²	7	67 Å²	67	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-31.1	178.9	85	-89.4	0	0	0	112.1	L303 H304 R309 H310 R599 N600 E603	L303-F306 WeakPolarHBondContact O-CD1 3.2Å; L303-F306 WeakPolarHBondContact O-CE1 3.45Å; H304-F306 VanDerWaalsContact C-N 3.32Å; H304-F306 PolarHBondContact O-N 3.29Å; F306-R309 PolarHBondContact O-N 3.16Å; F306-H310 PolarHBondContact O-N 3.11Å; F306-R599 HydrophobicContact CE2-CB 4.17Å; F306-N600 WeakPolarHBondContact CZ-OD1 3.44Å; F306-E603 HydrophobicContact CD1-CG 3.98Å; F306-E603 HydrophobicContact CE1-CB 4.05Å; F306-E603 HydrophobicContact CE1-CG 3.91Å; F306-E603 HydrophobicContact CE2-CB 4.2Å; F306-E603 HydrophobicContact CE2-CG 4.47Å; F306-E603 HydrophobicContact CG-CG 4.33Å; F306-E603 HydrophobicContact CZ-CB 3.85Å; F306-E603 HydrophobicContact CZ-CG 4.16Å
307	Q	90.7	Very high	82.8	Confident	24 Å²	24	65 Å²	65	11%	0.112	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-39.8	174.3	-68.7	-72	-7.4	0	0	111.6	H304 E305 H310 A311 I596 R599 N600	H304-Q307 WeakPolarHBondContact O-CB 3.46Å; H304-Q307 PolarHBondContact O-N 3.23Å; E305-Q307 VanDerWaalsContact C-N 3.26Å; E305-Q307 PolarHBondContact O-N 2.87Å; Q307-H310 WeakPolarHBondContact O-CB 3.44Å; Q307-H310 PolarHBondContact O-N 3.43Å; Q307-A311 PolarHBondContact O-N 2.98Å; Q307-A311 VanDerWaalsContact O-N 3.11Å; Q307-I596 PolarHBondContact NE2-O 2.92Å; Q307-R599 VanDerWaalsContact OE1-CZ 3.27Å; Q307-N600 PolarHBondContact NE2-OD1 2.99Å
308	N	92.7	Very high	83.5	Confident	95 Å²	95	64.8 Å²	64.8	51%	0.508	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-42.9	174	-70.5	-19.7	0	0	0	111.1	H304 E305 H310 A311 L312	H304-N308 PolarHBondContact O-N 3.27Å; E305-N308 WeakPolarHBondContact O-CB 3.35Å; E305-N308 PolarHBondContact O-N 3.42Å; E305-N308 VanDerWaalsContact O-N 3.16Å; N308-H310 VanDerWaalsContact C-N 3.34Å; N308-H310 PolarHBondContact O-N 2.64Å; N308-A311 PolarHBondContact O-N 3.45Å; N308-L312 WeakPolarHBondContact O-CG 3.4Å; N308-L312 PolarHBondContact O-N 3.31Å
309	R	93.1	Very high	84.6	Confident	95 Å²	95	63.6 Å²	63.6	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-39.5	175.5	-69.7	-177.2	-179.4	-146.5	0.1	112.2	F300 E305 F306 A311 L312 A313	F300-R309 VanDerWaalsContact CE1-NH2 3.29Å; E305-R309 WeakPolarHBondContact O-CG 3.25Å; E305-R309 PolarHBondContact O-N 3.19Å; E305-R309 IonicContact OE1-CZ 3.69Å; E305-R309 IonicContact OE1-NE 3.5Å; E305-R309 PolarHBondContact OE1-NE 3.29Å; E305-R309 VanDerWaalsContact OE1-NE 3.1Å; E305-R309 IonicContact OE1-NH2 3.6Å; E305-R309 PolarHBondContact OE1-NH2 3.06Å; F306-R309 PolarHBondContact O-N 3.16Å; R309-A311 PolarHBondContact O-N 3.01Å; R309-L312 PolarHBondContact O-N 3.11Å; R309-A313 VanDerWaalsContact O-CB 3.29Å; R309-A313 WeakPolarHBondContact O-CB 3.29Å; R309-A313 PolarHBondContact O-N 3.3Å
310	H	95.4	Very high	86.4	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-56.9	-47.9	171.9	167.9	73.1	0	0	0	111.4	F306 Q307 N308 A313 K314 R511 C513 R599	F306-H310 PolarHBondContact O-N 3.11Å; Q307-H310 WeakPolarHBondContact O-CB 3.44Å; Q307-H310 PolarHBondContact O-N 3.43Å; N308-H310 VanDerWaalsContact C-N 3.34Å; N308-H310 PolarHBondContact O-N 2.64Å; H310-A313 PolarHBondContact O-N 2.82Å; H310-K314 WeakPolarHBondContact O-CB 3.37Å; H310-K314 PolarHBondContact O-N 2.78Å; H310-R511 WeakPolarHBondContact CA-O 3.48Å; H310-R511 WeakPolarHBondContact CB-O 3.31Å; H310-R511 PolarHBondContact ND1-O 2.86Å; H310-C513 PolarHBondContact CE1-O 3.31Å; H310-C513 VanDerWaalsContact CE1-O 3.27Å; H310-C513 PolarHBondContact ND1-O 3.03Å; H310-R599 PolarHBondContact CD2-NH2 3.2Å; H310-R599 PolarHBondContact NE2-NH1 3.16Å
311	A	96	Very high	88.3	Confident	58 Å²	58	55.2 Å²	55.2	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-43.6	179.8	0	0	0	0	0	112.7	Q307 N308 R309 K314 E315	Q307-A311 PolarHBondContact O-N 2.98Å; Q307-A311 VanDerWaalsContact O-N 3.11Å; N308-A311 PolarHBondContact O-N 3.45Å; R309-A311 PolarHBondContact O-N 3.01Å; A311-K314 PolarHBondContact O-N 3.03Å; A311-E315 PolarHBondContact O-N 2.71Å
312	L	96.3	Very high	90.7	Very high	124 Å²	124	51.9 Å²	51.9	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-63.8	-46.8	177.6	-69.2	172.6	0	0	0	112.1	N308 R309 E315 K316	N308-L312 WeakPolarHBondContact O-CG 3.4Å; N308-L312 PolarHBondContact O-N 3.31Å; R309-L312 PolarHBondContact O-N 3.11Å; L312-E315 PolarHBondContact O-N 3.29Å; L312-K316 PolarHBondContact O-N 3.4Å
313	A	97.1	Very high	92.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-38.7	177.7	0	0	0	0	0	112.1	R309 H310 E315 K316 L317 M504 E508 R511	R309-A313 VanDerWaalsContact O-CB 3.29Å; R309-A313 WeakPolarHBondContact O-CB 3.29Å; R309-A313 PolarHBondContact O-N 3.3Å; H310-A313 PolarHBondContact O-N 2.82Å; A313-E315 VanDerWaalsContact C-N 3.26Å; A313-E315 PolarHBondContact O-N 3.11Å; A313-K316 WeakPolarHBondContact O-CB 3.27Å; A313-K316 PolarHBondContact O-N 3.27Å; A313-L317 PolarHBondContact O-N 3.02Å; A313-L317 VanDerWaalsContact O-N 3.08Å; A313-M504 HydrophobicContact CB-CE 3.92Å; A313-E508 HydrophobicContact CB-CG 3.95Å; A313-E508 VanDerWaalsContact CB-O 3.26Å; A313-E508 WeakPolarHBondContact CB-O 3.37Å; A313-R511 HydrophobicContact CB-CB 4.32Å
314	K	97.8	Very high	93.7	Very high	21 Å²	21	44.7 Å²	44.7	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-37.5	174.2	-177.2	-178.9	170.6	170.5	0	111.2	H310 A311 L317 N318 Y338 H514	H310-K314 WeakPolarHBondContact O-CB 3.37Å; H310-K314 PolarHBondContact O-N 2.78Å; A311-K314 PolarHBondContact O-N 3.03Å; K314-L317 WeakPolarHBondContact O-CB 3.44Å; K314-L317 PolarHBondContact O-N 3.38Å; K314-N318 VanDerWaalsContact O-CG 3.27Å; K314-N318 PolarHBondContact O-N 3.43Å; K314-N318 PolarHBondContact O-OD1 3.03Å; K314-Y338 HydrophobicContact CG-CD2 4.26Å; K314-Y338 HydrophobicContact CG-CE2 3.93Å; K314-H514 PolarHBondContact NZ-CE1 3.47Å; K314-H514 PolarHBondContact NZ-NE2 2.77Å; K314-H514 VanDerWaalsContact NZ-NE2 3.16Å
315	E	96.8	Very high	94.5	Very high	86 Å²	86	38.9 Å²	38.9	40%	0.402	19%	0.193	S	C	.	.	H	α-helix	trans	-68	-34.8	177.5	-172.6	55	-156.8	0	0	112.4	A311 L312 A313 N318 Q319	A311-E315 PolarHBondContact O-N 2.71Å; L312-E315 PolarHBondContact O-N 3.29Å; A313-E315 VanDerWaalsContact C-N 3.26Å; A313-E315 PolarHBondContact O-N 3.11Å; E315-N318 WeakPolarHBondContact O-CB 3.49Å; E315-N318 PolarHBondContact O-N 3.04Å; E315-N318 PolarHBondContact OE2-ND2 2.85Å; E315-Q319 WeakPolarHBondContact O-CG 2.9Å; E315-Q319 PolarHBondContact O-N 3.31Å
316	K	95.9	Very high	94.7	Very high	81 Å²	81	37 Å²	37	35%	0.352	18%	0.183	S	C	.	.	H	α-helix	trans	-62.4	-42.3	169.9	-69	-175.4	174.4	-174.8	0	111.9	L312 A313 Q319 F320 M504 E508	L312-K316 PolarHBondContact O-N 3.4Å; A313-K316 WeakPolarHBondContact O-CB 3.27Å; A313-K316 PolarHBondContact O-N 3.27Å; K316-Q319 PolarHBondContact O-N 2.83Å; K316-F320 PolarHBondContact O-N 2.68Å; K316-F320 VanDerWaalsContact O-N 3.13Å; K316-M504 HydrophobicContact CB-CE 4.08Å; K316-M504 HydrophobicContact CB-CG 4.29Å; K316-M504 HydrophobicContact CB-SD 3.71Å; K316-M504 HydrophobicContact CD-CE 4.35Å; K316-M504 HydrophobicContact CD-CG 4.04Å; K316-M504 HydrophobicContact CD-SD 4.39Å; K316-E508 WeakPolarHBondContact CD-OE1 3.29Å; K316-E508 WeakPolarHBondContact CE-OE1 3.4Å; K316-E508 IonicContact NZ-OE1 2.81Å; K316-E508 PolarHBondContact NZ-OE1 2.78Å; K316-E508 IonicContact NZ-OE2 3.94Å; K316-E508 PolarHBondContact NZ-OE2 3.27Å
317	L	96.8	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-45.2	173.2	-71.7	172.3	0	0	0	111.6	A313 K314 Q319 F320 I321 Y338 F378 L502 M504 F509 G512	A313-L317 PolarHBondContact O-N 3.02Å; A313-L317 VanDerWaalsContact O-N 3.08Å; K314-L317 WeakPolarHBondContact O-CB 3.44Å; K314-L317 PolarHBondContact O-N 3.38Å; L317-Q319 VanDerWaalsContact C-N 3.26Å; L317-Q319 PolarHBondContact O-N 2.84Å; L317-F320 WeakPolarHBondContact O-CB 3.44Å; L317-F320 PolarHBondContact O-N 3.5Å; L317-F320 VanDerWaalsContact O-N 3.12Å; L317-I321 VanDerWaalsContact O-CG1 3.29Å; L317-I321 WeakPolarHBondContact O-CG1 3.43Å; L317-I321 PolarHBondContact O-N 3.02Å; L317-Y338 HydrophobicContact CB-CD2 4.1Å; L317-Y338 HydrophobicContact CB-CE2 3.73Å; L317-Y338 HydrophobicContact CD1-CD2 3.72Å; L317-Y338 HydrophobicContact CD1-CE2 4.23Å; L317-Y338 HydrophobicContact CD1-CG 4.2Å; L317-F378 HydrophobicContact CD2-CE2 4.49Å; L317-F378 HydrophobicContact CD2-CZ 4.14Å; L317-L502 HydrophobicContact CD2-CD1 4.12Å; L317-M504 HydrophobicContact CD2-SD 4.05Å; L317-M504 HydrophobicContact CG-CE 4.35Å; L317-M504 HydrophobicContact CG-SD 4.12Å; L317-F509 HydrophobicContact CD2-CD2 3.73Å; L317-F509 HydrophobicContact CD2-CE2 3.77Å; L317-G512 VanDerWaalsContact CD1-C 3.41Å; L317-G512 WeakPolarHBondContact CD1-O 3.32Å
318	N	97	Very high	94.9	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-54.1	-43.9	175.9	-73.1	-12.9	0	0	0	111.7	K314 E315 I321 Q322 L333 Y338	K314-N318 VanDerWaalsContact O-CG 3.27Å; K314-N318 PolarHBondContact O-N 3.43Å; K314-N318 PolarHBondContact O-OD1 3.03Å; E315-N318 WeakPolarHBondContact O-CB 3.49Å; E315-N318 PolarHBondContact O-N 3.04Å; E315-N318 PolarHBondContact OE2-ND2 2.85Å; N318-I321 PolarHBondContact O-N 3.21Å; N318-Q322 VanDerWaalsContact O-CG 3.31Å; N318-Q322 WeakPolarHBondContact O-CG 3.42Å; N318-Q322 PolarHBondContact O-N 3.06Å; N318-L333 HydrophobicContact CB-CD1 3.81Å; N318-Y338 PolarHBondContact OD1-OH 3.01Å
319	Q	94.1	Very high	94.7	Very high	85 Å²	85	37.7 Å²	37.7	40%	0.397	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-45.1	177.6	-69.4	171.8	20.6	0	0	112	E315 K316 L317 I321 Q322 G323	E315-Q319 WeakPolarHBondContact O-CG 2.9Å; E315-Q319 PolarHBondContact O-N 3.31Å; K316-Q319 PolarHBondContact O-N 2.83Å; L317-Q319 VanDerWaalsContact C-N 3.26Å; L317-Q319 PolarHBondContact O-N 2.84Å; Q319-I321 VanDerWaalsContact C-N 3.35Å; Q319-I321 PolarHBondContact O-N 3.27Å; Q319-Q322 PolarHBondContact O-N 2.73Å; Q319-G323 PolarHBondContact O-N 3.42Å; Q319-G323 VanDerWaalsContact O-N 3.17Å
320	F	95.4	Very high	94.7	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-45	174.7	167.9	-102.6	0	0	0	111.7	K316 L317 G323 H324 F378 Q396 T458 I489 L501 L502	K316-F320 PolarHBondContact O-N 2.68Å; K316-F320 VanDerWaalsContact O-N 3.13Å; L317-F320 WeakPolarHBondContact O-CB 3.44Å; L317-F320 PolarHBondContact O-N 3.5Å; L317-F320 VanDerWaalsContact O-N 3.12Å; F320-G323 CarbonylContact O-C 3.58Å; F320-G323 WeakPolarHBondContact O-CA 3.47Å; F320-G323 PolarHBondContact O-N 3.38Å; F320-H324 HydrophobicContact CE1-CB 4.34Å; F320-H324 HydrophobicContact CE2-CB 4.49Å; F320-H324 HydrophobicContact CZ-CB 4.16Å; F320-H324 AromaticContact CZ-ND1 3.86Å; F320-H324 PolarHBondContact O-N 3.34Å; F320-F378 HydrophobicContact CD1-CE1 4.11Å; F320-F378 HydrophobicContact CD1-CZ 4.16Å; F320-F378 AromaticContact CE1-CE1 3.68Å; F320-F378 HydrophobicContact CE1-CE1 3.68Å; F320-F378 HydrophobicContact CE1-CZ 4.08Å; F320-Q396 VanDerWaalsContact CD2-NE2 3.35Å; F320-Q396 PolarHBondContact O-NE2 2.98Å; F320-T458 HydrophobicContact CZ-CG2 4.28Å; F320-I489 HydrophobicContact CE1-CD1 3.65Å; F320-I489 HydrophobicContact CE1-CG2 4.46Å; F320-I489 HydrophobicContact CZ-CD1 4.33Å; F320-I489 HydrophobicContact CZ-CG2 4.37Å; F320-L501 VanDerWaalsContact CD2-O 3.31Å; F320-L501 WeakPolarHBondContact CD2-O 3.37Å; F320-L501 HydrophobicContact CE2-CB 4.34Å; F320-L502 HydrophobicContact CB-CD1 3.88Å; F320-L502 HydrophobicContact CD1-CD1 4.42Å; F320-L502 HydrophobicContact CD2-CB 4.32Å; F320-L502 HydrophobicContact CD2-CD1 4.43Å; F320-L502 HydrophobicContact CG-CD1 3.98Å
321	I	96.5	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-42.6	-179.9	-66.1	-60.1	0	0	0	112	L317 N318 Q319 G323 H324 F325 F331 L333 Y338 V376 F378 I489	L317-I321 VanDerWaalsContact O-CG1 3.29Å; L317-I321 WeakPolarHBondContact O-CG1 3.43Å; L317-I321 PolarHBondContact O-N 3.02Å; N318-I321 PolarHBondContact O-N 3.21Å; Q319-I321 VanDerWaalsContact C-N 3.35Å; Q319-I321 PolarHBondContact O-N 3.27Å; I321-G323 PolarHBondContact O-N 3.1Å; I321-H324 PolarHBondContact O-N 3.04Å; I321-F325 HydrophobicContact CD1-CD2 4.44Å; I321-F325 HydrophobicContact CD1-CE2 4.15Å; I321-F325 HydrophobicContact CG2-CD2 3.87Å; I321-F325 HydrophobicContact CG2-CE2 4.42Å; I321-F325 WeakPolarHBondContact O-CB 3.34Å; I321-F325 WeakPolarHBondContact O-CD2 3.14Å; I321-F325 PolarHBondContact O-N 3.48Å; I321-F331 HydrophobicContact CG2-CE2 3.98Å; I321-F331 HydrophobicContact CG2-CZ 3.98Å; I321-L333 HydrophobicContact CB-CD2 4.48Å; I321-L333 HydrophobicContact CG2-CD2 3.84Å; I321-Y338 HydrophobicContact CD1-CE1 4.28Å; I321-Y338 HydrophobicContact CG1-CE1 3.75Å; I321-V376 HydrophobicContact CD1-CB 4.5Å; I321-V376 HydrophobicContact CD1-CG1 3.82Å; I321-V376 HydrophobicContact CD1-CG2 4.44Å; I321-F378 HydrophobicContact CD1-CZ 3.9Å; I321-I489 HydrophobicContact CD1-CD1 3.65Å
322	Q	94.3	Very high	94.7	Very high	45 Å²	45	37.4 Å²	37.4	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-40.6	174.2	-73.5	172.8	-15.7	0	0	111.5	N318 Q319 Y326 Y329 L333 V399	N318-Q322 VanDerWaalsContact O-CG 3.31Å; N318-Q322 WeakPolarHBondContact O-CG 3.42Å; N318-Q322 PolarHBondContact O-N 3.06Å; Q319-Q322 PolarHBondContact O-N 2.73Å; Q322-Y326 PolarHBondContact O-N 2.82Å; Q322-Y329 HydrophobicContact CG-CD2 4.38Å; Q322-Y329 HydrophobicContact CG-CE2 3.92Å; Q322-L333 HydrophobicContact CG-CD1 3.81Å; Q322-V399 HydrophobicContact CB-CG1 4.44Å
323	G	93.5	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-62.8	170.1	0	0	0	0	0	112	Q319 F320 I321 F325 Y326 A395	Q319-G323 PolarHBondContact O-N 3.42Å; Q319-G323 VanDerWaalsContact O-N 3.17Å; F320-G323 CarbonylContact O-C 3.58Å; F320-G323 WeakPolarHBondContact O-CA 3.47Å; F320-G323 PolarHBondContact O-N 3.38Å; I321-G323 PolarHBondContact O-N 3.1Å; G323-F325 VanDerWaalsContact C-N 3.27Å; G323-F325 PolarHBondContact O-N 3.11Å; G323-Y326 WeakPolarHBondContact O-CB 3.47Å; G323-Y326 VanDerWaalsContact O-CD1 3.32Å; G323-Y326 WeakPolarHBondContact O-CD1 3.44Å; G323-Y326 PolarHBondContact O-N 3.48Å; G323-A395 WeakPolarHBondContact O-CB 3.18Å
324	H	95.4	Very high	94.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-35.5	-171.7	-161.6	79.9	0	0	0	113.4	F320 I321 R450 P455	F320-H324 HydrophobicContact CE1-CB 4.34Å; F320-H324 HydrophobicContact CE2-CB 4.49Å; F320-H324 HydrophobicContact CZ-CB 4.16Å; F320-H324 AromaticContact CZ-ND1 3.86Å; F320-H324 PolarHBondContact O-N 3.34Å; I321-H324 PolarHBondContact O-N 3.04Å; H324-R450 PolarHBondContact O-NH1 3.41Å; H324-R450 VanDerWaalsContact O-NH1 3.15Å; H324-P455 PolarHBondContact CE1-O 2.77Å; H324-P455 PolarHBondContact NE2-O 2.92Å
325	F	95.2	Very high	94.7	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	19.4	179	-69.1	-97.1	0	0	0	113.4	I321 G323 G327 H328 Y329 F331 P454 N480 K487 I489	I321-F325 HydrophobicContact CD1-CD2 4.44Å; I321-F325 HydrophobicContact CD1-CE2 4.15Å; I321-F325 HydrophobicContact CG2-CD2 3.87Å; I321-F325 HydrophobicContact CG2-CE2 4.42Å; I321-F325 WeakPolarHBondContact O-CB 3.34Å; I321-F325 WeakPolarHBondContact O-CD2 3.14Å; I321-F325 PolarHBondContact O-N 3.48Å; G323-F325 VanDerWaalsContact C-N 3.27Å; G323-F325 PolarHBondContact O-N 3.11Å; F325-G327 PolarHBondContact O-N 2.9Å; F325-H328 CarbonylContact O-C 3.08Å; F325-H328 WeakPolarHBondContact O-CA 3.48Å; F325-H328 PolarHBondContact O-N 3.03Å; F325-Y329 PolarHBondContact O-N 3.18Å; F325-F331 HydrophobicContact CB-CE1 4.27Å; F325-F331 HydrophobicContact CB-CZ 4.18Å; F325-F331 AromaticContact CD1-CE1 3.87Å; F325-F331 HydrophobicContact CD1-CE1 3.87Å; F325-F331 HydrophobicContact CD1-CZ 4.03Å; F325-F331 HydrophobicContact CD2-CZ 4.24Å; F325-F331 HydrophobicContact CE1-CE1 4.5Å; F325-F331 HydrophobicContact CG-CE1 4.09Å; F325-F331 AromaticContact CG-CZ 3.88Å; F325-F331 HydrophobicContact CG-CZ 3.88Å; F325-P454 HydrophobicContact CD1-CB 3.71Å; F325-P454 HydrophobicContact CD1-CG 3.39Å; F325-P454 HydrophobicContact CE1-CB 3.68Å; F325-P454 HydrophobicContact CE1-CG 3.59Å; F325-P454 HydrophobicContact CG-CB 4.29Å; F325-P454 HydrophobicContact CG-CG 4.27Å; F325-P454 HydrophobicContact CZ-CB 4.25Å; F325-N480 HydrophobicContact CE1-CB 4.06Å; F325-K487 HydrophobicContact CE1-CB 3.9Å; F325-K487 HydrophobicContact CE1-CD 3.98Å; F325-K487 HydrophobicContact CE1-CG 3.76Å; F325-K487 HydrophobicContact CZ-CB 3.6Å; F325-K487 HydrophobicContact CZ-CG 3.91Å; F325-I489 HydrophobicContact CE2-CD1 3.98Å; F325-I489 HydrophobicContact CE2-CG1 4.47Å
326	Y	90.8	Very high	94.7	Very high	22 Å²	22	35.6 Å²	35.6	9%	0.086	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.9	177.4	84.8	-80.8	0	0	0	111.9	Q322 G323 H328 A395 I398 T448 R450	Q322-Y326 PolarHBondContact O-N 2.82Å; G323-Y326 WeakPolarHBondContact O-CB 3.47Å; G323-Y326 VanDerWaalsContact O-CD1 3.32Å; G323-Y326 WeakPolarHBondContact O-CD1 3.44Å; G323-Y326 PolarHBondContact O-N 3.48Å; Y326-H328 PolarHBondContact O-N 3.4Å; Y326-H328 VanDerWaalsContact O-N 3.08Å; Y326-A395 HydrophobicContact CD1-CB 3.46Å; Y326-A395 VanDerWaalsContact CD1-CB 3.46Å; Y326-A395 HydrophobicContact CE1-CB 3.53Å; Y326-I398 HydrophobicContact CE2-CD1 4.08Å; Y326-T448 VanDerWaalsContact CD2-O 3.27Å; Y326-T448 WeakPolarHBondContact CD2-O 3.39Å; Y326-R450 HydrophobicContact CE2-CB 3.87Å; Y326-R450 HydrophobicContact CE2-CG 4Å; Y326-R450 VanDerWaalsContact O-CD 3.29Å; Y326-R450 WeakPolarHBondContact O-CD 3.27Å; Y326-R450 PolarHBondContact O-NE 2.68Å; Y326-R450 PolarHBondContact O-NH1 3.38Å
327	G	89.8	Confident	94.9	Very high	32 Å²	32	31.8 Å²	31.8	33%	0.33	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-17.1	-173.1	0	0	0	0	0	115.3	F325 T448 R482	F325-G327 PolarHBondContact O-N 2.9Å; G327-T448 WeakPolarHBondContact CA-O 3.43Å; G327-R482 PolarHBondContact O-NH2 3.32Å
328	H	92.2	Very high	95	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	16%	0.159	C	C	.	.			trans	-121.9	18.3	176.9	-66.9	-108.1	0	0	0	112.1	F325 Y326 D330 R450 N452 P454	F325-H328 CarbonylContact O-C 3.08Å; F325-H328 WeakPolarHBondContact O-CA 3.48Å; F325-H328 PolarHBondContact O-N 3.03Å; Y326-H328 PolarHBondContact O-N 3.4Å; Y326-H328 VanDerWaalsContact O-N 3.08Å; H328-D330 PolarHBondContact O-N 3.21Å; H328-D330 VanDerWaalsContact O-OD1 3.13Å; H328-R450 PolarHBondContact CD2-NE 2.93Å; H328-R450 VanDerWaalsContact CD2-NE 3.29Å; H328-R450 PolarHBondContact CD2-NH2 2.91Å; H328-N452 PolarHBondContact NE2-O 2.94Å; H328-P454 HydrophobicContact CB-CG 3.98Å
329	Y	89.6	Confident	95	Very high	98 Å²	98	31.1 Å²	31.1	38%	0.384	16%	0.156	S	C	.	.			trans	-81.1	72	177.1	-178.9	-110	0	0	0	108.9	Q322 F325 F331 L333	Q322-Y329 HydrophobicContact CG-CD2 4.38Å; Q322-Y329 HydrophobicContact CG-CE2 3.92Å; F325-Y329 PolarHBondContact O-N 3.18Å; Y329-F331 HydrophobicContact CD2-CZ 4.47Å; Y329-L333 HydrophobicContact CE2-CD1 3.71Å; Y329-L333 HydrophobicContact CE2-CD2 3.88Å; Y329-L333 HydrophobicContact CE2-CG 3.59Å; Y329-L333 WeakPolarHBondContact OH-CD1 3.44Å; Y329-L333 VanDerWaalsContact OH-CG 3.23Å; Y329-L333 WeakPolarHBondContact OH-CG 3.3Å
330	D	92.2	Very high	95.3	Very high	75 Å²	75	27.1 Å²	27.1	40%	0.401	14%	0.137	S	C	.	.			trans	-110.3	19.1	-176.6	56	8	0	0	0	113.4	H328 R482	H328-D330 PolarHBondContact O-N 3.21Å; H328-D330 VanDerWaalsContact O-OD1 3.13Å; D330-R482 WeakPolarHBondContact OD2-CB 3.5Å; D330-R482 WeakPolarHBondContact OD2-CD 3.41Å; D330-R482 VanDerWaalsContact OD2-CG 3.3Å; D330-R482 WeakPolarHBondContact OD2-CG 3.34Å; D330-R482 IonicContact OD2-CZ 3.84Å; D330-R482 IonicContact OD2-NH1 2.87Å; D330-R482 PolarHBondContact OD2-NH1 3.19Å
331	F	96.3	Very high	95.4	Very high	14 Å²	14	26.9 Å²	26.9	6%	0.061	14%	0.136	C	C	.	.	S	Bend	trans	-131	154.7	179	54	-89.2	0	0	0	112	I321 F325 Y329 L333 T336 T374	I321-F331 HydrophobicContact CG2-CE2 3.98Å; I321-F331 HydrophobicContact CG2-CZ 3.98Å; F325-F331 HydrophobicContact CB-CE1 4.27Å; F325-F331 HydrophobicContact CB-CZ 4.18Å; F325-F331 AromaticContact CD1-CE1 3.87Å; F325-F331 HydrophobicContact CD1-CE1 3.87Å; F325-F331 HydrophobicContact CD1-CZ 4.03Å; F325-F331 HydrophobicContact CD2-CZ 4.24Å; F325-F331 HydrophobicContact CE1-CE1 4.5Å; F325-F331 HydrophobicContact CG-CE1 4.09Å; F325-F331 AromaticContact CG-CZ 3.88Å; F325-F331 HydrophobicContact CG-CZ 3.88Å; Y329-F331 HydrophobicContact CD2-CZ 4.47Å; F331-L333 HydrophobicContact CD2-CD2 4.38Å; F331-L333 HydrophobicContact CE2-CD2 3.94Å; F331-T336 WeakPolarHBondContact CD2-OG1 3.4Å; F331-T374 HydrophobicContact CB-CG2 4.35Å; F331-T374 WeakPolarHBondContact CB-OG1 3.42Å; F331-T374 HydrophobicContact CD2-CG2 3.92Å; F331-T374 HydrophobicContact CE2-CG2 4.34Å; F331-T374 HydrophobicContact CG-CG2 4.02Å
332	D	96.2	Very high	95.4	Very high	70 Å²	70	27.2 Å²	27.2	37%	0.374	14%	0.139	S	C	.	.			trans	-85.6	122.8	-178	179.6	9.4	0	0	0	111.7	D334 K335 T336	D332-D334 VanDerWaalsContact C-N 3.3Å; D332-D334 PolarHBondContact O-N 3.42Å; D332-D334 WeakPolarHBondContact OD1-CB 3.46Å; D332-D334 PolarHBondContact OD1-N 3.28Å; D332-K335 HydrophobicContact CB-CB 4.4Å; D332-K335 CarbonylContact O-C 3.35Å; D332-K335 PolarHBondContact O-N 3.09Å; D332-T336 PolarHBondContact O-N 2.96Å; D332-T336 VanDerWaalsContact O-N 3.12Å; D332-T336 PolarHBondContact O-OG1 2.93Å
333	L	97	Very high	95.4	Very high	11 Å²	11	26 Å²	26	6%	0.058	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-69.6	-24.7	178.1	-66	179.1	0	0	0	113.4	N318 I321 Q322 Y329 F331 K335 T336	N318-L333 HydrophobicContact CB-CD1 3.81Å; I321-L333 HydrophobicContact CB-CD2 4.48Å; I321-L333 HydrophobicContact CG2-CD2 3.84Å; Q322-L333 HydrophobicContact CG-CD1 3.81Å; Y329-L333 HydrophobicContact CE2-CD1 3.71Å; Y329-L333 HydrophobicContact CE2-CD2 3.88Å; Y329-L333 HydrophobicContact CE2-CG 3.59Å; Y329-L333 WeakPolarHBondContact OH-CD1 3.44Å; Y329-L333 VanDerWaalsContact OH-CG 3.23Å; Y329-L333 WeakPolarHBondContact OH-CG 3.3Å; F331-L333 HydrophobicContact CD2-CD2 4.38Å; F331-L333 HydrophobicContact CE2-CD2 3.94Å; L333-K335 PolarHBondContact O-N 3.29Å; L333-T336 PolarHBondContact O-N 3.46Å
334	D	96	Very high	95.2	Very high	92 Å²	92	31.6 Å²	31.6	49%	0.492	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-67.5	-25	174.4	-87.3	-40.5	0	0	0	112.3	D332 R592	D332-D334 VanDerWaalsContact C-N 3.3Å; D332-D334 PolarHBondContact O-N 3.42Å; D332-D334 WeakPolarHBondContact OD1-CB 3.46Å; D332-D334 PolarHBondContact OD1-N 3.28Å; D334-R592 VanDerWaalsContact CG-NH2 3.34Å; D334-R592 IonicContact OD1-CZ 2.65Å; D334-R592 IonicContact OD1-NH2 3.81Å; D334-R592 PolarHBondContact OD1-NH2 3.28Å
335	K	97	Very high	95.2	Very high	90 Å²	90	34.8 Å²	34.8	39%	0.391	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-106.2	13.1	175.2	-59.9	-178.3	-174.9	176.9	0	113	D332 L333 D372 V373 T374	D332-K335 HydrophobicContact CB-CB 4.4Å; D332-K335 CarbonylContact O-C 3.35Å; D332-K335 PolarHBondContact O-N 3.09Å; L333-K335 PolarHBondContact O-N 3.29Å; K335-D372 HydrophobicContact CD-CB 4.35Å; K335-D372 VanDerWaalsContact CD-OD2 3.25Å; K335-D372 WeakPolarHBondContact CD-OD2 3.37Å; K335-D372 WeakPolarHBondContact CE-OD2 3.34Å; K335-D372 IonicContact NZ-OD2 3.67Å; K335-D372 PolarHBondContact NZ-OD2 3.23Å; K335-V373 WeakPolarHBondContact O-CA 3.37Å; K335-T374 PolarHBondContact O-N 2.72Å
336	T	98.3	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.5	175.1	-60.7	0	0	0	0	111	F331 D332 L333 Y338 T374 V376	F331-T336 WeakPolarHBondContact CD2-OG1 3.4Å; D332-T336 PolarHBondContact O-N 2.96Å; D332-T336 VanDerWaalsContact O-N 3.12Å; D332-T336 PolarHBondContact O-OG1 2.93Å; L333-T336 PolarHBondContact O-N 3.46Å; T336-Y338 HydrophobicContact CG2-CD1 4.39Å; T336-Y338 HydrophobicContact CG2-CE1 3.8Å; T336-T374 CarbonylContact C-O 3.57Å; T336-T374 VanDerWaalsContact CA-O 3.23Å; T336-T374 WeakPolarHBondContact CA-O 3.44Å; T336-V376 HydrophobicContact CG2-CG2 3.77Å
337	L	98.7	Very high	95.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.1	174.5	-58.1	179.1	0	0	0	110.1	F339 V373 T374 V375 V376 H514 F587	L337-F339 HydrophobicContact CB-CD1 4.45Å; L337-F339 HydrophobicContact CB-CE1 3.92Å; L337-F339 HydrophobicContact CD1-CE1 4.27Å; L337-F339 HydrophobicContact CD1-CZ 4.35Å; L337-V373 HydrophobicContact CD1-CG1 4.06Å; L337-V373 HydrophobicContact CG-CG1 4.27Å; L337-T374 PolarHBondContact N-O 2.97Å; L337-V375 HydrophobicContact CB-CG2 4.44Å; L337-V375 CarbonylContact O-C 3.43Å; L337-V375 WeakPolarHBondContact O-CA 3.49Å; L337-V376 PolarHBondContact O-N 3.25Å; L337-H514 HydrophobicContact CD2-CB 4.39Å; L337-F587 HydrophobicContact CD1-CD1 4.21Å; L337-F587 HydrophobicContact CD1-CE1 4.35Å
338	Y	98.8	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	110.3	-179.8	-63	-48.5	0	0	0	109	K314 L317 N318 I321 T336 V376 F378 H514 L515	K314-Y338 HydrophobicContact CG-CD2 4.26Å; K314-Y338 HydrophobicContact CG-CE2 3.93Å; L317-Y338 HydrophobicContact CB-CD2 4.1Å; L317-Y338 HydrophobicContact CB-CE2 3.73Å; L317-Y338 HydrophobicContact CD1-CD2 3.72Å; L317-Y338 HydrophobicContact CD1-CE2 4.23Å; L317-Y338 HydrophobicContact CD1-CG 4.2Å; N318-Y338 PolarHBondContact OD1-OH 3.01Å; I321-Y338 HydrophobicContact CD1-CE1 4.28Å; I321-Y338 HydrophobicContact CG1-CE1 3.75Å; T336-Y338 HydrophobicContact CG2-CD1 4.39Å; T336-Y338 HydrophobicContact CG2-CE1 3.8Å; Y338-V376 WeakPolarHBondContact CA-O 3.22Å; Y338-V376 HydrophobicContact CD1-CB 3.96Å; Y338-V376 HydrophobicContact CE1-CB 4.14Å; Y338-V376 HydrophobicContact CE1-CG2 4.24Å; Y338-F378 AromaticContact CD1-CE2 3.95Å; Y338-F378 HydrophobicContact CD1-CE2 3.95Å; Y338-F378 HydrophobicContact CG-CE2 4.48Å; Y338-H514 AromaticContact CD2-CE1 3.76Å; Y338-H514 AromaticContact CD2-ND1 3.82Å; Y338-H514 PolarHBondContact N-ND1 3.23Å; Y338-H514 PolarHBondContact O-N 2.71Å; Y338-L515 PolarHBondContact O-N 2.91Å
339	F	98.8	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.2	173.2	-63.3	-6.2	0	0	0	108.7	L337 F355 L362 V375 V376 A377 F378 L515 V517 L584 F587	L337-F339 HydrophobicContact CB-CD1 4.45Å; L337-F339 HydrophobicContact CB-CE1 3.92Å; L337-F339 HydrophobicContact CD1-CE1 4.27Å; L337-F339 HydrophobicContact CD1-CZ 4.35Å; F339-F355 HydrophobicContact CB-CZ 4.41Å; F339-L362 HydrophobicContact CE2-CD2 4.06Å; F339-V375 HydrophobicContact CB-CG1 4.36Å; F339-V375 HydrophobicContact CD1-CG1 4.38Å; F339-V375 HydrophobicContact CD2-CG1 3.4Å; F339-V375 VanDerWaalsContact CD2-CG1 3.4Å; F339-V375 HydrophobicContact CE2-CG1 3.65Å; F339-V375 HydrophobicContact CE2-CG2 4.16Å; F339-V375 HydrophobicContact CG-CG1 3.8Å; F339-V375 HydrophobicContact CZ-CG1 4.23Å; F339-V375 HydrophobicContact CZ-CG2 4.26Å; F339-V376 PolarHBondContact N-O 3.39Å; F339-A377 CarbonylContact O-C 3.54Å; F339-A377 VanDerWaalsContact O-CA 3.31Å; F339-A377 WeakPolarHBondContact O-CA 3.37Å; F339-F378 PolarHBondContact O-N 2.96Å; F339-L515 VanDerWaalsContact CA-O 3.31Å; F339-L515 WeakPolarHBondContact CA-O 3.5Å; F339-L515 HydrophobicContact CD1-CB 3.57Å; F339-L515 HydrophobicContact CD1-CD2 4.22Å; F339-L515 HydrophobicContact CD1-CG 4.48Å; F339-L515 HydrophobicContact CE1-CB 3.76Å; F339-L515 HydrophobicContact CE1-CD2 4.01Å; F339-L515 HydrophobicContact CE2-CD2 4.33Å; F339-L515 HydrophobicContact CG-CB 4.32Å; F339-L515 HydrophobicContact CG-CD2 4.49Å; F339-L515 HydrophobicContact CZ-CD2 4.07Å; F339-V517 HydrophobicContact CB-CG2 4.44Å; F339-L584 HydrophobicContact CD2-CD2 4.03Å; F339-L584 HydrophobicContact CE2-CB 4.29Å; F339-L584 HydrophobicContact CE2-CD2 3.84Å; F339-F587 AromaticContact CE1-CD1 3.66Å; F339-F587 HydrophobicContact CE1-CD1 3.66Å; F339-F587 AromaticContact CE1-CE1 3.86Å; F339-F587 HydrophobicContact CE1-CE1 3.86Å; F339-F587 AromaticContact CZ-CD1 3.83Å; F339-F587 HydrophobicContact CZ-CD1 3.83Å; F339-F587 HydrophobicContact CZ-CE1 4.48Å
340	F	98.8	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.4	175.9	77.2	-78.3	0	0	0	112.8	A342 F378 F509 V510 C513 L515 G516 V517 F518 C532	F340-A342 HydrophobicContact CD2-CB 4.08Å; F340-A342 HydrophobicContact CE2-CB 4.21Å; F340-F378 CarbonylContact C-O 3.6Å; F340-F378 VanDerWaalsContact CA-O 3.26Å; F340-F378 WeakPolarHBondContact CA-O 3.16Å; F340-F378 HydrophobicContact CB-CB 3.93Å; F340-F509 HydrophobicContact CB-CE1 3.75Å; F340-F509 HydrophobicContact CB-CZ 3.84Å; F340-F509 HydrophobicContact CD1-CE1 4.25Å; F340-F509 AromaticContact CD2-CE1 3.73Å; F340-F509 HydrophobicContact CD2-CE1 3.73Å; F340-F509 HydrophobicContact CE2-CE1 4.37Å; F340-F509 AromaticContact CG-CE1 3.65Å; F340-F509 HydrophobicContact CG-CE1 3.65Å; F340-F509 HydrophobicContact CG-CZ 4.23Å; F340-V510 HydrophobicContact CE1-CG1 4.24Å; F340-V510 HydrophobicContact CE1-CG2 4.48Å; F340-V510 HydrophobicContact CE2-CG2 3.85Å; F340-V510 HydrophobicContact CZ-CB 4.13Å; F340-V510 HydrophobicContact CZ-CG1 3.79Å; F340-V510 HydrophobicContact CZ-CG2 3.61Å; F340-C513 HydrophobicContact CD1-CB 3.55Å; F340-C513 HydrophobicContact CE1-CB 3.79Å; F340-L515 WeakPolarHBondContact CD1-O 3.47Å; F340-L515 PolarHBondContact N-O 3.4Å; F340-L515 VanDerWaalsContact N-O 3.14Å; F340-G516 VanDerWaalsContact CE1-CA 3.48Å; F340-V517 PolarHBondContact O-N 3.44Å; F340-F518 HydrophobicContact CD2-CE1 4.37Å; F340-F518 HydrophobicContact CD2-CZ 4.45Å; F340-F518 AromaticContact CE2-CE1 3.93Å; F340-F518 HydrophobicContact CE2-CE1 3.93Å; F340-F518 AromaticContact CE2-CZ 3.71Å; F340-F518 HydrophobicContact CE2-CZ 3.71Å; F340-F518 HydrophobicContact CZ-CE1 4.44Å; F340-F518 AromaticContact CZ-CZ 3.76Å; F340-F518 HydrophobicContact CZ-CZ 3.76Å; F340-C532 VanDerWaalsContact CZ-SG 3.53Å
341	I	98.7	Very high	96	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.8	163.2	-169.3	168.2	0	0	0	107.8	A352 F355 F378 L379 I380 F381 V517 F518	I341-A352 HydrophobicContact CD1-CB 4.48Å; I341-F355 HydrophobicContact CB-CD1 3.86Å; I341-F355 HydrophobicContact CB-CE1 3.91Å; I341-F355 HydrophobicContact CD1-CB 4.37Å; I341-F355 HydrophobicContact CD1-CD1 4.28Å; I341-F355 HydrophobicContact CG2-CD1 3.57Å; I341-F355 HydrophobicContact CG2-CE1 3.67Å; I341-F378 PolarHBondContact N-O 3.05Å; I341-L379 HydrophobicContact CG2-CB 4.08Å; I341-L379 HydrophobicContact CG2-CD2 4.25Å; I341-L379 HydrophobicContact CG2-CG 3.92Å; I341-I380 PolarHBondContact O-N 2.82Å; I341-F381 HydrophobicContact CB-CZ 4.29Å; I341-F381 HydrophobicContact CD1-CZ 3.83Å; I341-F381 HydrophobicContact CG1-CE1 4.39Å; I341-F381 HydrophobicContact CG1-CZ 3.7Å; I341-F381 HydrophobicContact CG2-CE2 3.69Å; I341-F381 HydrophobicContact CG2-CZ 3.7Å; I341-V517 WeakPolarHBondContact CB-O 3.38Å; I341-V517 WeakPolarHBondContact CD1-O 3.31Å; I341-V517 VanDerWaalsContact CG1-O 3.22Å; I341-V517 WeakPolarHBondContact CG1-O 3.46Å; I341-F518 HydrophobicContact CG1-CD1 4.32Å
342	A	96.6	Very high	96	Very high	6 Å²	6	30.3 Å²	30.3	5%	0.05	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.4	-179.2	0	0	0	0	0	111	F340 I380 Y506 T528	F340-A342 HydrophobicContact CD2-CB 4.08Å; F340-A342 HydrophobicContact CE2-CB 4.21Å; A342-I380 WeakPolarHBondContact CA-O 3.37Å; A342-I380 HydrophobicContact CB-CB 4.01Å; A342-I380 HydrophobicContact CB-CD1 4.45Å; A342-Y506 HydrophobicContact CB-CE2 3.86Å; A342-T528 HydrophobicContact CB-CG2 4.27Å
343	G	92.8	Very high	96.1	Very high	19 Å²	19	28.7 Å²	28.7	20%	0.196	14%	0.136	C	C	.	.	S	Bend	trans	159.8	-165.8	173.1	0	0	0	0	0	113.1	I380 P382	G343-I380 PolarHBondContact N-O 2.88Å; G343-I380 VanDerWaalsContact N-O 3.17Å; G343-P382 VanDerWaalsContact O-CD 3.25Å; G343-P382 WeakPolarHBondContact O-CD 3.18Å
344	R	91.1	Very high	96.1	Very high	119 Å²	119	28.3 Å²	28.3	45%	0.449	13%	0.134	S	C	.	.	S	Bend	trans	-63.4	152.4	166.6	-61.4	-175.8	-58.2	-157.3	-0.4	109.7	R224 E346 F381	R224-R344 VanDerWaalsContact NH2-NH1 3.2Å; R344-E346 HydrophobicContact CB-CG 4.18Å; R344-E346 IonicContact CZ-OE1 3.4Å; R344-E346 IonicContact CZ-OE2 3.83Å; R344-E346 IonicContact NE-OE1 2.77Å; R344-E346 PolarHBondContact NE-OE1 2.66Å; R344-E346 IonicContact NE-OE2 3.9Å; R344-E346 PolarHBondContact NE-OE2 2.78Å; R344-E346 IonicContact NH2-OE1 3.14Å; R344-E346 PolarHBondContact NH2-OE1 3.21Å; R344-E346 IonicContact NH2-OE2 2.83Å; R344-E346 PolarHBondContact NH2-OE2 3.18Å; R344-E346 PolarHBondContact O-N 2.87Å; R344-F381 WeakPolarHBondContact O-CD1 3.38Å
345	Y	94.5	Very high	96.2	Very high	68 Å²	68	23.9 Å²	23.9	27%	0.267	11%	0.11	S	C	.	.	S	Bend	trans	-77.2	71	178.8	-158.2	170.8	0	0	0	111.9	F347 F381 P382 A383 D467 V469 F490	Y345-F347 HydrophobicContact CE2-CB 4.36Å; Y345-F347 HydrophobicContact CE2-CD2 4.46Å; Y345-F381 HydrophobicContact CD1-CB 4.26Å; Y345-F381 HydrophobicContact CD2-CB 3.99Å; Y345-F381 HydrophobicContact CD2-CG 4.35Å; Y345-F381 HydrophobicContact CG-CB 3.85Å; Y345-P382 WeakPolarHBondContact CB-O 3.48Å; Y345-A383 HydrophobicContact CD1-CB 3.62Å; Y345-A383 HydrophobicContact CE1-CB 3.57Å; Y345-D467 WeakPolarHBondContact CE1-OD2 3.43Å; Y345-D467 PolarHBondContact OH-OD1 3.27Å; Y345-D467 VanDerWaalsContact OH-OD1 3.11Å; Y345-D467 PolarHBondContact OH-OD2 2.96Å; Y345-V469 HydrophobicContact CE2-CG2 3.8Å; Y345-V469 WeakPolarHBondContact OH-CG2 3.34Å; Y345-V469 PolarHBondContact OH-N 2.99Å; Y345-F490 HydrophobicContact CE1-CZ 4.08Å
346	E	92.7	Very high	96.3	Very high	40 Å²	40	19.6 Å²	19.6	19%	0.187	9%	0.091	C	C	.	.			trans	-115.1	80.8	174.7	-57.9	170.6	150.1	0	0	108	R224 R344 Q348 N349 K350	R224-E346 IonicContact NH2-OE1 3.82Å; R344-E346 HydrophobicContact CB-CG 4.18Å; R344-E346 IonicContact CZ-OE1 3.4Å; R344-E346 IonicContact CZ-OE2 3.83Å; R344-E346 IonicContact NE-OE1 2.77Å; R344-E346 PolarHBondContact NE-OE1 2.66Å; R344-E346 IonicContact NE-OE2 3.9Å; R344-E346 PolarHBondContact NE-OE2 2.78Å; R344-E346 IonicContact NH2-OE1 3.14Å; R344-E346 PolarHBondContact NH2-OE1 3.21Å; R344-E346 IonicContact NH2-OE2 2.83Å; R344-E346 PolarHBondContact NH2-OE2 3.18Å; R344-E346 PolarHBondContact O-N 2.87Å; E346-Q348 PolarHBondContact O-N 2.84Å; E346-N349 HydrophobicContact CB-CB 3.91Å; E346-N349 PolarHBondContact O-N 3.17Å; E346-K350 HydrophobicContact CB-CG 4.23Å; E346-K350 WeakPolarHBondContact O-CB 3.28Å; E346-K350 PolarHBondContact O-N 3.34Å
347	F	94.7	Very high	96.3	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.075	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-51.9	-163.6	-177.2	-111.1	0	0	0	114.6	Y345 G351 A352 D353 I356 L468 V469 N472	Y345-F347 HydrophobicContact CE2-CB 4.36Å; Y345-F347 HydrophobicContact CE2-CD2 4.46Å; F347-G351 PolarHBondContact O-N 3.42Å; F347-A352 HydrophobicContact CD2-CB 3.61Å; F347-A352 HydrophobicContact CE2-CB 3.77Å; F347-A352 HydrophobicContact CG-CB 4.46Å; F347-A352 WeakPolarHBondContact O-CB 3.5Å; F347-A352 PolarHBondContact O-N 2.97Å; F347-D353 HydrophobicContact CD1-CB 4.28Å; F347-D353 HydrophobicContact CE1-CB 3.58Å; F347-D353 HydrophobicContact CZ-CB 3.76Å; F347-I356 HydrophobicContact CE2-CD1 4.1Å; F347-I356 HydrophobicContact CZ-CD1 4.48Å; F347-L468 HydrophobicContact CB-CB 4.15Å; F347-L468 HydrophobicContact CB-CD1 3.63Å; F347-L468 HydrophobicContact CD1-CB 3.7Å; F347-L468 HydrophobicContact CD1-CD1 3.81Å; F347-L468 HydrophobicContact CD1-CG 4.27Å; F347-L468 HydrophobicContact CD2-CB 3.8Å; F347-L468 HydrophobicContact CE1-CB 3.99Å; F347-L468 HydrophobicContact CE2-CB 4.12Å; F347-L468 HydrophobicContact CG-CB 3.6Å; F347-L468 HydrophobicContact CG-CD1 3.85Å; F347-L468 HydrophobicContact CG-CG 4.37Å; F347-L468 HydrophobicContact CZ-CB 4.22Å; F347-V469 HydrophobicContact CD2-CG2 3.89Å; F347-V469 HydrophobicContact CE2-CG2 3.96Å; F347-N472 HydrophobicContact CZ-CB 4.01Å; F347-N472 VanDerWaalsContact CZ-ND2 3.27Å; F347-N472 WeakPolarHBondContact CZ-ND2 3.11Å
348	Q	93.4	Very high	96.3	Very high	75 Å²	75	21.8 Å²	21.8	35%	0.35	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-41.8	178.9	-69.5	174.4	-10.1	0	0	112.6	S230 E346 K350 G351	S230-Q348 VanDerWaalsContact OG-CD 3.24Å; S230-Q348 PolarHBondContact OG-NE2 3.47Å; S230-Q348 VanDerWaalsContact OG-NE2 3.07Å; S230-Q348 PolarHBondContact OG-OE1 3.17Å; E346-Q348 PolarHBondContact O-N 2.84Å; Q348-K350 VanDerWaalsContact C-N 3.3Å; Q348-K350 PolarHBondContact O-N 3.05Å; Q348-G351 WeakPolarHBondContact O-CA 3.24Å; Q348-G351 PolarHBondContact O-N 3.24Å
349	N	93.5	Very high	96.3	Very high	11 Å²	11	21.8 Å²	21.8	6%	0.059	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.6	-177.4	-68.5	-6.7	0	0	0	112	C227 E346 G351 S520 Y521 Y522	C227-N349 WeakPolarHBondContact CB-OD1 3.43Å; E346-N349 HydrophobicContact CB-CB 3.91Å; E346-N349 PolarHBondContact O-N 3.17Å; N349-G351 VanDerWaalsContact C-N 3.29Å; N349-S520 CarbonylContact O-C 3.49Å; N349-S520 VanDerWaalsContact O-CA 3.23Å; N349-S520 WeakPolarHBondContact O-CA 3.32Å; N349-S520 WeakPolarHBondContact O-CB 3.47Å; N349-Y521 PolarHBondContact O-N 3.09Å; N349-Y522 PolarHBondContact O-N 2.88Å
350	K	95.7	Very high	96.3	Very high	15 Å²	15	22.8 Å²	22.8	7%	0.065	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.8	174.6	-62.6	-62	179.6	176.9	0	113.5	E346 Q348 F381 E523	E346-K350 HydrophobicContact CB-CG 4.23Å; E346-K350 WeakPolarHBondContact O-CB 3.28Å; E346-K350 PolarHBondContact O-N 3.34Å; Q348-K350 VanDerWaalsContact C-N 3.3Å; Q348-K350 PolarHBondContact O-N 3.05Å; K350-F381 HydrophobicContact CB-CE1 4.29Å; K350-F381 HydrophobicContact CG-CE1 4.5Å; K350-E523 WeakPolarHBondContact CD-OE2 3.42Å; K350-E523 WeakPolarHBondContact CE-OE2 3.44Å; K350-E523 IonicContact NZ-OE1 3.34Å; K350-E523 PolarHBondContact NZ-OE1 3.1Å; K350-E523 IonicContact NZ-OE2 2.84Å; K350-E523 PolarHBondContact NZ-OE2 3.04Å
351	G	96.3	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	26.9	178.5	0	0	0	0	0	114.2	F347 Q348 N349 D353 I354 F355 P519	F347-G351 PolarHBondContact O-N 3.42Å; Q348-G351 WeakPolarHBondContact O-CA 3.24Å; Q348-G351 PolarHBondContact O-N 3.24Å; N349-G351 VanDerWaalsContact C-N 3.29Å; G351-D353 VanDerWaalsContact CA-OD1 3.27Å; G351-D353 WeakPolarHBondContact CA-OD1 3.38Å; G351-D353 PolarHBondContact O-N 3.47Å; G351-I354 PolarHBondContact O-N 3.1Å; G351-F355 WeakPolarHBondContact O-CB 3.48Å; G351-F355 PolarHBondContact O-N 2.64Å; G351-P519 WeakPolarHBondContact O-CG 3.47Å
352	A	97.6	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-30.4	178.5	0	0	0	0	0	111.9	I341 F347 I356 F381	I341-A352 HydrophobicContact CD1-CB 4.48Å; F347-A352 HydrophobicContact CD2-CB 3.61Å; F347-A352 HydrophobicContact CE2-CB 3.77Å; F347-A352 HydrophobicContact CG-CB 4.46Å; F347-A352 WeakPolarHBondContact O-CB 3.5Å; F347-A352 PolarHBondContact O-N 2.97Å; A352-I356 WeakPolarHBondContact O-CB 3.38Å; A352-I356 WeakPolarHBondContact O-CD1 3.43Å; A352-I356 WeakPolarHBondContact O-CG1 3.39Å; A352-I356 PolarHBondContact O-N 3.16Å; A352-F381 HydrophobicContact CB-CE2 3.75Å; A352-F381 HydrophobicContact CB-CZ 3.91Å
353	D	96.9	Very high	96.4	Very high	37 Å²	37	25 Å²	25	20%	0.198	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-55.7	169.4	53.6	-16.7	0	0	0	112.4	F347 G351 F355 I356 E357	F347-D353 HydrophobicContact CD1-CB 4.28Å; F347-D353 HydrophobicContact CE1-CB 3.58Å; F347-D353 HydrophobicContact CZ-CB 3.76Å; G351-D353 VanDerWaalsContact CA-OD1 3.27Å; G351-D353 WeakPolarHBondContact CA-OD1 3.38Å; G351-D353 PolarHBondContact O-N 3.47Å; D353-F355 VanDerWaalsContact C-N 3.32Å; D353-F355 PolarHBondContact O-N 3.29Å; D353-I356 PolarHBondContact O-N 3.49Å; D353-E357 PolarHBondContact O-N 3.41Å; D353-E357 VanDerWaalsContact O-N 3.11Å
354	I	97.4	Very high	96.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-38.8	178.6	-71.6	-166	0	0	0	111	G351 E357 A358 P519 V577 L580	G351-I354 PolarHBondContact O-N 3.1Å; I354-E357 PolarHBondContact O-N 2.82Å; I354-A358 VanDerWaalsContact O-CB 3.32Å; I354-A358 WeakPolarHBondContact O-CB 3.32Å; I354-A358 PolarHBondContact O-N 3.3Å; I354-P519 HydrophobicContact CG2-CB 4.29Å; I354-P519 HydrophobicContact CG2-CG 4.45Å; I354-V577 HydrophobicContact CB-CG2 4.23Å; I354-V577 HydrophobicContact CD1-CG2 4.25Å; I354-V577 HydrophobicContact CG1-CG2 3.95Å; I354-V577 HydrophobicContact CG2-CG2 3.84Å; I354-L580 HydrophobicContact CG2-CD2 3.71Å
355	F	98.7	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-46.4	178.4	-177.9	-135.8	0	0	0	111.8	F339 I341 G351 D353 E357 A358 L359 A377 V517 P519 L584	F339-F355 HydrophobicContact CB-CZ 4.41Å; I341-F355 HydrophobicContact CB-CD1 3.86Å; I341-F355 HydrophobicContact CB-CE1 3.91Å; I341-F355 HydrophobicContact CD1-CB 4.37Å; I341-F355 HydrophobicContact CD1-CD1 4.28Å; I341-F355 HydrophobicContact CG2-CD1 3.57Å; I341-F355 HydrophobicContact CG2-CE1 3.67Å; G351-F355 WeakPolarHBondContact O-CB 3.48Å; G351-F355 PolarHBondContact O-N 2.64Å; D353-F355 VanDerWaalsContact C-N 3.32Å; D353-F355 PolarHBondContact O-N 3.29Å; F355-E357 VanDerWaalsContact C-N 3.34Å; F355-E357 PolarHBondContact O-N 3.03Å; F355-A358 PolarHBondContact O-N 2.88Å; F355-L359 HydrophobicContact CD1-CD1 4.1Å; F355-L359 HydrophobicContact CD2-CD1 4.23Å; F355-L359 HydrophobicContact CD2-CD2 4.5Å; F355-L359 HydrophobicContact CD2-CG 4.04Å; F355-L359 HydrophobicContact CE1-CD1 3.81Å; F355-L359 HydrophobicContact CE2-CD1 3.93Å; F355-L359 HydrophobicContact CE2-CD2 3.77Å; F355-L359 HydrophobicContact CE2-CG 3.76Å; F355-L359 HydrophobicContact CG-CD1 4.33Å; F355-L359 HydrophobicContact CZ-CD1 3.72Å; F355-L359 HydrophobicContact CZ-CD2 4.01Å; F355-L359 HydrophobicContact CZ-CG 4.06Å; F355-L359 VanDerWaalsContact O-CG 3.26Å; F355-L359 WeakPolarHBondContact O-CG 3.3Å; F355-L359 PolarHBondContact O-N 3.3Å; F355-A377 HydrophobicContact CE1-CB 4.42Å; F355-A377 HydrophobicContact CZ-CB 4.1Å; F355-V517 HydrophobicContact CD2-CB 3.97Å; F355-V517 HydrophobicContact CD2-CG1 3.42Å; F355-V517 VanDerWaalsContact CD2-CG1 3.42Å; F355-V517 HydrophobicContact CE2-CB 3.63Å; F355-V517 HydrophobicContact CE2-CG1 3.53Å; F355-V517 HydrophobicContact CE2-CG2 3.88Å; F355-V517 HydrophobicContact CG-CG1 4.25Å; F355-V517 HydrophobicContact CZ-CB 4.05Å; F355-V517 HydrophobicContact CZ-CG1 4.4Å; F355-V517 HydrophobicContact CZ-CG2 4.31Å; F355-P519 HydrophobicContact CB-CG 4.11Å; F355-L584 HydrophobicContact CE2-CD1 4.47Å
356	I	98.8	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-43.1	177.9	-69.4	166.3	0	0	0	111.1	F347 A352 D353 L359 A360 L379 V469 N472 L473 C476 L478	F347-I356 HydrophobicContact CE2-CD1 4.1Å; F347-I356 HydrophobicContact CZ-CD1 4.48Å; A352-I356 WeakPolarHBondContact O-CB 3.38Å; A352-I356 WeakPolarHBondContact O-CD1 3.43Å; A352-I356 WeakPolarHBondContact O-CG1 3.39Å; A352-I356 PolarHBondContact O-N 3.16Å; D353-I356 PolarHBondContact O-N 3.49Å; I356-L359 PolarHBondContact O-N 3.38Å; I356-A360 PolarHBondContact O-N 3.25Å; I356-A360 VanDerWaalsContact O-N 3.08Å; I356-L379 HydrophobicContact CD1-CD2 3.96Å; I356-L379 HydrophobicContact CG1-CD2 3.9Å; I356-V469 HydrophobicContact CD1-CG1 4.37Å; I356-N472 HydrophobicContact CD1-CB 3.86Å; I356-N472 HydrophobicContact CG2-CB 4.12Å; I356-L473 HydrophobicContact CD1-CD2 4.21Å; I356-L473 HydrophobicContact CD1-CG 4.26Å; I356-L473 HydrophobicContact CG1-CD2 4.02Å; I356-L473 HydrophobicContact CG2-CD2 3.98Å; I356-C476 HydrophobicContact CG2-CB 4.2Å; I356-L478 HydrophobicContact CG2-CD1 4.45Å
357	E	98.6	Very high	97.3	Very high	47 Å²	47	26.4 Å²	26.4	22%	0.22	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-43.7	177.4	-164.1	65.5	-134.2	0	0	111.5	D353 I354 F355 L359 A360 R361 R475 C476 V577	D353-E357 PolarHBondContact O-N 3.41Å; D353-E357 VanDerWaalsContact O-N 3.11Å; I354-E357 PolarHBondContact O-N 2.82Å; F355-E357 VanDerWaalsContact C-N 3.34Å; F355-E357 PolarHBondContact O-N 3.03Å; E357-L359 VanDerWaalsContact C-N 3.33Å; E357-L359 PolarHBondContact O-N 2.88Å; E357-A360 WeakPolarHBondContact O-CB 3.46Å; E357-A360 PolarHBondContact O-N 3.41Å; E357-R361 PolarHBondContact O-N 3.36Å; E357-R361 VanDerWaalsContact O-N 3.14Å; E357-R475 IonicContact OE2-CZ 3.25Å; E357-R475 VanDerWaalsContact OE2-CZ 3.25Å; E357-R475 IonicContact OE2-NH1 2.79Å; E357-R475 PolarHBondContact OE2-NH1 3.3Å; E357-R475 IonicContact OE2-NH2 2.84Å; E357-R475 PolarHBondContact OE2-NH2 3.01Å; E357-C476 PolarHBondContact OE2-SG 3.46Å; E357-V577 HydrophobicContact CB-CG1 4.02Å; E357-V577 HydrophobicContact CG-CG1 3.86Å
358	A	98.8	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-34.5	177.5	0	0	0	0	0	112.8	I354 F355 R361 L362 V577 L580 T581 L584	I354-A358 VanDerWaalsContact O-CB 3.32Å; I354-A358 WeakPolarHBondContact O-CB 3.32Å; I354-A358 PolarHBondContact O-N 3.3Å; F355-A358 PolarHBondContact O-N 2.88Å; A358-R361 PolarHBondContact O-N 2.9Å; A358-L362 WeakPolarHBondContact O-CB 3.37Å; A358-L362 PolarHBondContact O-N 3.42Å; A358-V577 HydrophobicContact CB-CG1 4.23Å; A358-L580 HydrophobicContact CB-CB 4.17Å; A358-L580 HydrophobicContact CB-CD2 3.55Å; A358-L580 HydrophobicContact CB-CG 3.69Å; A358-T581 WeakPolarHBondContact CA-OG1 3.35Å; A358-T581 PolarHBondContact O-OG1 3.2Å; A358-L584 HydrophobicContact CB-CD1 4.18Å
359	L	98.8	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-38.3	173.3	-72.9	172.6	0	0	0	112	F355 I356 E357 L362 N363 A377 L478 V486 V488 L584	F355-L359 HydrophobicContact CD1-CD1 4.1Å; F355-L359 HydrophobicContact CD2-CD1 4.23Å; F355-L359 HydrophobicContact CD2-CD2 4.5Å; F355-L359 HydrophobicContact CD2-CG 4.04Å; F355-L359 HydrophobicContact CE1-CD1 3.81Å; F355-L359 HydrophobicContact CE2-CD1 3.93Å; F355-L359 HydrophobicContact CE2-CD2 3.77Å; F355-L359 HydrophobicContact CE2-CG 3.76Å; F355-L359 HydrophobicContact CG-CD1 4.33Å; F355-L359 HydrophobicContact CZ-CD1 3.72Å; F355-L359 HydrophobicContact CZ-CD2 4.01Å; F355-L359 HydrophobicContact CZ-CG 4.06Å; F355-L359 VanDerWaalsContact O-CG 3.26Å; F355-L359 WeakPolarHBondContact O-CG 3.3Å; F355-L359 PolarHBondContact O-N 3.3Å; I356-L359 PolarHBondContact O-N 3.38Å; E357-L359 VanDerWaalsContact C-N 3.33Å; E357-L359 PolarHBondContact O-N 2.88Å; L359-L362 HydrophobicContact CD2-CD2 4.35Å; L359-L362 PolarHBondContact O-N 3.28Å; L359-N363 WeakPolarHBondContact O-CB 3.45Å; L359-N363 PolarHBondContact O-N 3.29Å; L359-A377 HydrophobicContact CD1-CB 3.51Å; L359-A377 HydrophobicContact CD2-CB 3.78Å; L359-A377 HydrophobicContact CG-CB 4.32Å; L359-L478 HydrophobicContact CB-CD1 4.1Å; L359-V486 HydrophobicContact CB-CG1 4.17Å; L359-V486 HydrophobicContact CD2-CG1 3.83Å; L359-V486 HydrophobicContact CG-CG1 4.49Å; L359-V488 HydrophobicContact CD1-CG1 4.37Å; L359-L584 HydrophobicContact CD2-CD1 4.48Å
360	A	98.7	Very high	97.6	Very high	21 Å²	21	40 Å²	40	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-43.7	176.2	0	0	0	0	0	111.5	I356 E357 N363 H364 C476 L478	I356-A360 PolarHBondContact O-N 3.25Å; I356-A360 VanDerWaalsContact O-N 3.08Å; E357-A360 WeakPolarHBondContact O-CB 3.46Å; E357-A360 PolarHBondContact O-N 3.41Å; A360-N363 WeakPolarHBondContact O-CB 3.02Å; A360-N363 PolarHBondContact O-N 3.46Å; A360-H364 PolarHBondContact O-N 3.17Å; A360-H364 VanDerWaalsContact O-N 3.13Å; A360-C476 HydrophobicContact CB-CB 3.85Å; A360-L478 HydrophobicContact CB-CD1 4.36Å
361	R	98.6	Very high	97.5	Very high	45 Å²	45	41.1 Å²	41.1	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-41.1	174.7	-63	176	-173.7	-171.2	-2.6	112.2	E357 A358 N363 H364 H365 E574 T581	E357-R361 PolarHBondContact O-N 3.36Å; E357-R361 VanDerWaalsContact O-N 3.14Å; A358-R361 PolarHBondContact O-N 2.9Å; R361-N363 VanDerWaalsContact C-N 3.29Å; R361-N363 PolarHBondContact O-N 3.19Å; R361-H364 WeakPolarHBondContact O-CB 3.44Å; R361-H364 PolarHBondContact O-N 3.42Å; R361-H364 VanDerWaalsContact O-N 3.14Å; R361-H365 PolarHBondContact O-CD2 3.18Å; R361-H365 PolarHBondContact O-N 2.75Å; R361-E574 IonicContact CZ-OE1 3.45Å; R361-E574 IonicContact CZ-OE2 2.68Å; R361-E574 IonicContact NH1-OE1 2.64Å; R361-E574 PolarHBondContact NH1-OE1 3.48Å; R361-E574 IonicContact NH1-OE2 2.66Å; R361-E574 IonicContact NH2-OE1 3.42Å; R361-E574 PolarHBondContact NH2-OE1 3.23Å; R361-E574 IonicContact NH2-OE2 2.87Å; R361-E574 PolarHBondContact NH2-OE2 2.92Å; R361-T581 HydrophobicContact CB-CG2 3.71Å
362	L	98.6	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-44	172.8	177.6	65.4	0	0	0	111	F339 A358 L359 H364 H365 L366 V375 V486 L584 V585	F339-L362 HydrophobicContact CE2-CD2 4.06Å; A358-L362 WeakPolarHBondContact O-CB 3.37Å; A358-L362 PolarHBondContact O-N 3.42Å; L359-L362 HydrophobicContact CD2-CD2 4.35Å; L359-L362 PolarHBondContact O-N 3.28Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.19Å; L362-H365 PolarHBondContact O-N 3.37Å; L362-L366 HydrophobicContact CD1-CD1 4.06Å; L362-L366 HydrophobicContact CD1-CD2 4.36Å; L362-L366 HydrophobicContact CD1-CG 3.98Å; L362-L366 HydrophobicContact CG-CD1 3.98Å; L362-L366 HydrophobicContact CG-CG 4.26Å; L362-L366 WeakPolarHBondContact O-CG 3.41Å; L362-L366 PolarHBondContact O-N 3.35Å; L362-V375 HydrophobicContact CD2-CG1 4.39Å; L362-V375 HydrophobicContact CD2-CG2 4.21Å; L362-V486 HydrophobicContact CB-CG2 4.18Å; L362-V486 HydrophobicContact CD2-CG2 3.83Å; L362-V486 HydrophobicContact CG-CG2 3.76Å; L362-L584 HydrophobicContact CD1-CB 4.17Å; L362-L584 HydrophobicContact CD2-CB 3.95Å; L362-L584 HydrophobicContact CD2-CD1 4.32Å; L362-V585 HydrophobicContact CD1-CB 4.34Å; L362-V585 HydrophobicContact CD1-CG2 3.58Å
363	N	98.5	Very high	97.3	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-44.3	176.2	-168.8	32.3	0	0	0	111.4	L359 A360 R361 K367 L478 D484 R485 V486	L359-N363 WeakPolarHBondContact O-CB 3.45Å; L359-N363 PolarHBondContact O-N 3.29Å; A360-N363 WeakPolarHBondContact O-CB 3.02Å; A360-N363 PolarHBondContact O-N 3.46Å; R361-N363 VanDerWaalsContact C-N 3.29Å; R361-N363 PolarHBondContact O-N 3.19Å; N363-K367 PolarHBondContact ND2-NZ 2.93Å; N363-K367 VanDerWaalsContact ND2-NZ 3.12Å; N363-K367 WeakPolarHBondContact O-CB 3.45Å; N363-K367 VanDerWaalsContact O-CG 3.23Å; N363-K367 WeakPolarHBondContact O-CG 3.46Å; N363-K367 PolarHBondContact O-N 3.39Å; N363-K367 WeakPolarHBondContact OD1-CE 3.41Å; N363-L478 HydrophobicContact CB-CD2 4.3Å; N363-D484 PolarHBondContact ND2-OD1 3.05Å; N363-D484 WeakPolarHBondContact OD1-CA 3.46Å; N363-R485 PolarHBondContact OD1-N 2.98Å; N363-V486 HydrophobicContact CB-CB 3.93Å; N363-V486 HydrophobicContact CB-CG2 3.83Å; N363-V486 PolarHBondContact OD1-N 3.2Å
364	H	98.2	Very high	97.4	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.546	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-49.5	175.2	-176.1	79.6	0	0	0	112	A360 R361 L362 L366 K367 Q368	A360-H364 PolarHBondContact O-N 3.17Å; A360-H364 VanDerWaalsContact O-N 3.13Å; R361-H364 WeakPolarHBondContact O-CB 3.44Å; R361-H364 PolarHBondContact O-N 3.42Å; R361-H364 VanDerWaalsContact O-N 3.14Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.19Å; H364-L366 PolarHBondContact O-N 3.2Å; H364-K367 PolarHBondContact O-N 3.48Å; H364-Q368 WeakPolarHBondContact O-CB 3.34Å; H364-Q368 PolarHBondContact O-N 3.02Å
365	H	98.1	Very high	97.5	Very high	65 Å²	65	44.7 Å²	44.7	30%	0.301	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-44.9	179.1	-78.6	-68	0	0	0	112.9	R361 L362 K367 Q368 A369 V585	R361-H365 PolarHBondContact O-CD2 3.18Å; R361-H365 PolarHBondContact O-N 2.75Å; L362-H365 PolarHBondContact O-N 3.37Å; H365-K367 PolarHBondContact O-N 2.93Å; H365-Q368 PolarHBondContact O-N 2.97Å; H365-A369 VanDerWaalsContact O-CB 3.29Å; H365-A369 WeakPolarHBondContact O-CB 2.93Å; H365-A369 PolarHBondContact O-N 3.38Å; H365-V585 HydrophobicContact CB-CG2 3.95Å
366	L	97.5	Very high	97.5	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-36.2	179.8	-65.5	179.6	0	0	0	112	L362 H364 Q370 T371 V375 R485 V486	L362-L366 HydrophobicContact CD1-CD1 4.06Å; L362-L366 HydrophobicContact CD1-CD2 4.36Å; L362-L366 HydrophobicContact CD1-CG 3.98Å; L362-L366 HydrophobicContact CG-CD1 3.98Å; L362-L366 HydrophobicContact CG-CG 4.26Å; L362-L366 WeakPolarHBondContact O-CG 3.41Å; L362-L366 PolarHBondContact O-N 3.35Å; H364-L366 PolarHBondContact O-N 3.2Å; L366-Q370 PolarHBondContact O-N 3.18Å; L366-T371 HydrophobicContact CD2-CG2 3.91Å; L366-T371 PolarHBondContact O-N 3.48Å; L366-T371 VanDerWaalsContact O-N 3.12Å; L366-V375 HydrophobicContact CD1-CG2 4.08Å; L366-R485 HydrophobicContact CB-CB 3.61Å; L366-R485 HydrophobicContact CB-CG 3.96Å; L366-R485 HydrophobicContact CD1-CB 4.03Å; L366-R485 HydrophobicContact CG-CB 4.5Å; L366-V486 HydrophobicContact CD1-CG2 4.06Å
367	K	97.1	Very high	97.5	Very high	83 Å²	83	44.7 Å²	44.7	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-47.4	172.5	-74.6	171.7	177.2	175.3	0	111.5	N363 H364 H365 Q370 H483 D484 R485	N363-K367 PolarHBondContact ND2-NZ 2.93Å; N363-K367 VanDerWaalsContact ND2-NZ 3.12Å; N363-K367 WeakPolarHBondContact O-CB 3.45Å; N363-K367 VanDerWaalsContact O-CG 3.23Å; N363-K367 WeakPolarHBondContact O-CG 3.46Å; N363-K367 PolarHBondContact O-N 3.39Å; N363-K367 WeakPolarHBondContact OD1-CE 3.41Å; H364-K367 PolarHBondContact O-N 3.48Å; H365-K367 PolarHBondContact O-N 2.93Å; K367-Q370 PolarHBondContact O-N 2.97Å; K367-Q370 VanDerWaalsContact O-N 3.08Å; K367-H483 WeakPolarHBondContact CE-O 3.48Å; K367-D484 WeakPolarHBondContact CE-OD1 3.24Å; K367-D484 IonicContact NZ-OD1 2.68Å; K367-D484 PolarHBondContact NZ-OD1 3.33Å; K367-R485 HydrophobicContact CG-CG 4Å
368	Q	96.8	Very high	97.5	Very high	139 Å²	139	42.6 Å²	42.6	65%	0.65	22%	0.219	S	C	*	.	H	α-helix	trans	-65.4	-40.5	-178.4	-171.7	-177.1	11.2	0	0	112	H364 H365 Q370	H364-Q368 WeakPolarHBondContact O-CB 3.34Å; H364-Q368 PolarHBondContact O-N 3.02Å; H365-Q368 PolarHBondContact O-N 2.97Å; Q368-Q370 PolarHBondContact O-N 2.88Å
369	A	95.5	Very high	97.5	Very high	72 Å²	72	42.6 Å²	42.6	60%	0.595	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-2.9	175.2	0	0	0	0	0	113.3	H365 T371	H365-A369 VanDerWaalsContact O-CB 3.29Å; H365-A369 WeakPolarHBondContact O-CB 2.93Å; H365-A369 PolarHBondContact O-N 3.38Å; A369-T371 HydrophobicContact CB-CG2 3.63Å; A369-T371 PolarHBondContact O-N 2.74Å
370	Q	94.1	Very high	97.4	Very high	178 Å²	178	42.8 Å²	42.8	83%	0.832	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.9	-178.8	-60	-174.2	-44.3	0	0	113	L366 K367 Q368	L366-Q370 PolarHBondContact O-N 3.18Å; K367-Q370 PolarHBondContact O-N 2.97Å; K367-Q370 VanDerWaalsContact O-N 3.08Å; Q368-Q370 PolarHBondContact O-N 2.88Å
371	T	93.1	Very high	97.3	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	21%	0.212	C	C	.	.			trans	-75.8	149.3	-177.4	89.6	0	0	0	0	111	L366 A369 V373 R485	L366-T371 HydrophobicContact CD2-CG2 3.91Å; L366-T371 PolarHBondContact O-N 3.48Å; L366-T371 VanDerWaalsContact O-N 3.12Å; A369-T371 HydrophobicContact CB-CG2 3.63Å; A369-T371 PolarHBondContact O-N 2.74Å; T371-V373 VanDerWaalsContact C-N 3.32Å; T371-V373 PolarHBondContact OG1-N 3.41Å; T371-R485 PolarHBondContact O-NE 3.39Å
372	D	94.2	Very high	97.2	Very high	86 Å²	86	41.4 Å²	41.4	46%	0.46	22%	0.215	S	C	.	.			trans	-90.4	2.9	171.7	64.1	-8	0	0	0	113	K335 R485	K335-D372 HydrophobicContact CD-CB 4.35Å; K335-D372 VanDerWaalsContact CD-OD2 3.25Å; K335-D372 WeakPolarHBondContact CD-OD2 3.37Å; K335-D372 WeakPolarHBondContact CE-OD2 3.34Å; K335-D372 IonicContact NZ-OD2 3.67Å; K335-D372 PolarHBondContact NZ-OD2 3.23Å; D372-R485 PolarHBondContact O-NH2 2.91Å
373	V	97.4	Very high	97	Very high	27 Å²	27	42.6 Å²	42.6	16%	0.164	23%	0.225	C	C	.	.			trans	-76.4	133.5	173.4	177.2	0	0	0	0	110	K335 L337 T371 R485	K335-V373 WeakPolarHBondContact O-CA 3.37Å; L337-V373 HydrophobicContact CD1-CG1 4.06Å; L337-V373 HydrophobicContact CG-CG1 4.27Å; T371-V373 VanDerWaalsContact C-N 3.32Å; T371-V373 PolarHBondContact OG1-N 3.41Å; V373-R485 PolarHBondContact O-NE 3.12Å; V373-R485 VanDerWaalsContact O-NE 3.1Å; V373-R485 PolarHBondContact O-NH2 3.37Å
374	T	98.4	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.1	173.4	-52.4	0	0	0	0	108.6	F331 K335 T336 L337 R485 K487	F331-T374 HydrophobicContact CB-CG2 4.35Å; F331-T374 WeakPolarHBondContact CB-OG1 3.42Å; F331-T374 HydrophobicContact CD2-CG2 3.92Å; F331-T374 HydrophobicContact CE2-CG2 4.34Å; F331-T374 HydrophobicContact CG-CG2 4.02Å; K335-T374 PolarHBondContact O-N 2.72Å; T336-T374 CarbonylContact C-O 3.57Å; T336-T374 VanDerWaalsContact CA-O 3.23Å; T336-T374 WeakPolarHBondContact CA-O 3.44Å; L337-T374 PolarHBondContact N-O 2.97Å; T374-R485 WeakPolarHBondContact CA-O 3.28Å; T374-R485 PolarHBondContact OG1-NH2 3.25Å; T374-K487 HydrophobicContact CG2-CG 4.16Å
375	V	98.7	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.9	172.6	176	0	0	0	0	107.7	L337 F339 L362 L366 R485 V486 K487	L337-V375 HydrophobicContact CB-CG2 4.44Å; L337-V375 CarbonylContact O-C 3.43Å; L337-V375 WeakPolarHBondContact O-CA 3.49Å; F339-V375 HydrophobicContact CB-CG1 4.36Å; F339-V375 HydrophobicContact CD1-CG1 4.38Å; F339-V375 HydrophobicContact CD2-CG1 3.4Å; F339-V375 VanDerWaalsContact CD2-CG1 3.4Å; F339-V375 HydrophobicContact CE2-CG1 3.65Å; F339-V375 HydrophobicContact CE2-CG2 4.16Å; F339-V375 HydrophobicContact CG-CG1 3.8Å; F339-V375 HydrophobicContact CZ-CG1 4.23Å; F339-V375 HydrophobicContact CZ-CG2 4.26Å; L362-V375 HydrophobicContact CD2-CG1 4.39Å; L362-V375 HydrophobicContact CD2-CG2 4.21Å; L366-V375 HydrophobicContact CD1-CG2 4.08Å; V375-R485 PolarHBondContact N-O 3.06Å; V375-V486 HydrophobicContact CB-CG1 4.46Å; V375-V486 HydrophobicContact CB-CG2 4.23Å; V375-V486 HydrophobicContact CG1-CG1 4.42Å; V375-V486 CarbonylContact O-C 3.46Å; V375-V486 VanDerWaalsContact O-CA 3.32Å; V375-V486 WeakPolarHBondContact O-CA 3.33Å; V375-K487 PolarHBondContact O-N 3.48Å
376	V	98.8	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.8	167.7	-176.1	0	0	0	0	107.9	I321 T336 L337 Y338 F339 F378 K487 I489	I321-V376 HydrophobicContact CD1-CB 4.5Å; I321-V376 HydrophobicContact CD1-CG1 3.82Å; I321-V376 HydrophobicContact CD1-CG2 4.44Å; T336-V376 HydrophobicContact CG2-CG2 3.77Å; L337-V376 PolarHBondContact O-N 3.25Å; Y338-V376 WeakPolarHBondContact CA-O 3.22Å; Y338-V376 HydrophobicContact CD1-CB 3.96Å; Y338-V376 HydrophobicContact CE1-CB 4.14Å; Y338-V376 HydrophobicContact CE1-CG2 4.24Å; F339-V376 PolarHBondContact N-O 3.39Å; V376-F378 HydrophobicContact CG1-CE2 4.06Å; V376-F378 HydrophobicContact CG1-CZ 4.42Å; V376-K487 CarbonylContact C-O 3.52Å; V376-K487 WeakPolarHBondContact CA-O 3.22Å; V376-K487 HydrophobicContact CB-CB 4.49Å; V376-K487 HydrophobicContact CG1-CB 4.36Å; V376-K487 HydrophobicContact CG2-CB 4.11Å; V376-K487 HydrophobicContact CG2-CG 4.25Å; V376-I489 HydrophobicContact CG1-CD1 3.76Å; V376-I489 HydrophobicContact CG1-CG1 4.07Å
377	A	98.8	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.2	-178.8	0	0	0	0	0	111.2	F339 F355 L359 K487 V488 I489	F339-A377 CarbonylContact O-C 3.54Å; F339-A377 VanDerWaalsContact O-CA 3.31Å; F339-A377 WeakPolarHBondContact O-CA 3.37Å; F355-A377 HydrophobicContact CE1-CB 4.42Å; F355-A377 HydrophobicContact CZ-CB 4.1Å; L359-A377 HydrophobicContact CD1-CB 3.51Å; L359-A377 HydrophobicContact CD2-CB 3.78Å; L359-A377 HydrophobicContact CG-CB 4.32Å; A377-K487 PolarHBondContact N-O 3.37Å; A377-V488 CarbonylContact O-C 3.49Å; A377-V488 WeakPolarHBondContact O-CA 3.37Å; A377-I489 PolarHBondContact O-N 2.72Å
378	F	98.8	Very high	95.8	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.4	174.6	-69	-94.8	0	0	0	110.8	L317 F320 I321 Y338 F339 F340 I341 V376 I489 F509	L317-F378 HydrophobicContact CD2-CE2 4.49Å; L317-F378 HydrophobicContact CD2-CZ 4.14Å; F320-F378 HydrophobicContact CD1-CE1 4.11Å; F320-F378 HydrophobicContact CD1-CZ 4.16Å; F320-F378 AromaticContact CE1-CE1 3.68Å; F320-F378 HydrophobicContact CE1-CE1 3.68Å; F320-F378 HydrophobicContact CE1-CZ 4.08Å; I321-F378 HydrophobicContact CD1-CZ 3.9Å; Y338-F378 AromaticContact CD1-CE2 3.95Å; Y338-F378 HydrophobicContact CD1-CE2 3.95Å; Y338-F378 HydrophobicContact CG-CE2 4.48Å; F339-F378 PolarHBondContact O-N 2.96Å; F340-F378 CarbonylContact C-O 3.6Å; F340-F378 VanDerWaalsContact CA-O 3.26Å; F340-F378 WeakPolarHBondContact CA-O 3.16Å; F340-F378 HydrophobicContact CB-CB 3.93Å; I341-F378 PolarHBondContact N-O 3.05Å; V376-F378 HydrophobicContact CG1-CE2 4.06Å; V376-F378 HydrophobicContact CG1-CZ 4.42Å; F378-I489 CarbonylContact C-O 3.54Å; F378-I489 WeakPolarHBondContact CA-O 3.41Å; F378-I489 HydrophobicContact CD1-CB 4.09Å; F378-I489 HydrophobicContact CD1-CD1 4.45Å; F378-I489 HydrophobicContact CD1-CG2 4.29Å; F378-I489 HydrophobicContact CE1-CB 4.29Å; F378-I489 HydrophobicContact CE1-CD1 3.84Å; F378-I489 HydrophobicContact CE1-CG2 4.36Å; F378-I489 HydrophobicContact CZ-CD1 4.04Å; F378-F509 HydrophobicContact CB-CE2 4.43Å; F378-F509 HydrophobicContact CB-CZ 3.79Å; F378-F509 HydrophobicContact CD1-CE2 4.03Å; F378-F509 HydrophobicContact CD1-CZ 4.24Å; F378-F509 HydrophobicContact CD2-CE2 4.15Å; F378-F509 HydrophobicContact CD2-CZ 4.03Å; F378-F509 HydrophobicContact CE1-CE2 4.26Å; F378-F509 HydrophobicContact CE2-CE2 4.4Å; F378-F509 AromaticContact CG-CE2 3.96Å; F378-F509 HydrophobicContact CG-CE2 3.96Å; F378-F509 AromaticContact CG-CZ 3.77Å; F378-F509 HydrophobicContact CG-CZ 3.77Å; F378-F509 HydrophobicContact CZ-CE2 4.44Å
379	L	98.7	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.9	171	-58.2	93.2	0	0	0	107.9	I341 I356 F381 V469 I489 F490 H491	I341-L379 HydrophobicContact CG2-CB 4.08Å; I341-L379 HydrophobicContact CG2-CD2 4.25Å; I341-L379 HydrophobicContact CG2-CG 3.92Å; I356-L379 HydrophobicContact CD1-CD2 3.96Å; I356-L379 HydrophobicContact CG1-CD2 3.9Å; L379-F381 HydrophobicContact CB-CD2 4.23Å; L379-F381 HydrophobicContact CB-CE2 4.21Å; L379-F381 HydrophobicContact CD2-CE2 4.44Å; L379-V469 HydrophobicContact CD2-CG1 3.95Å; L379-I489 PolarHBondContact N-O 3.39Å; L379-F490 HydrophobicContact CB-CD2 3.99Å; L379-F490 WeakPolarHBondContact O-CD2 3.43Å; L379-H491 PolarHBondContact O-N 3.33Å
380	I	97.9	Very high	95.3	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	90.7	-175.4	-57.3	164	0	0	0	108.6	I341 A342 G343 H491 L495 F509	I341-I380 PolarHBondContact O-N 2.82Å; A342-I380 WeakPolarHBondContact CA-O 3.37Å; A342-I380 HydrophobicContact CB-CB 4.01Å; A342-I380 HydrophobicContact CB-CD1 4.45Å; G343-I380 PolarHBondContact N-O 2.88Å; G343-I380 VanDerWaalsContact N-O 3.17Å; I380-H491 HydrophobicContact CG1-CB 4.49Å; I380-L495 HydrophobicContact CD1-CD1 3.65Å; I380-L495 HydrophobicContact CD1-CG 4.2Å; I380-L495 HydrophobicContact CG2-CG 4.34Å; I380-F509 HydrophobicContact CD1-CD1 3.75Å; I380-F509 HydrophobicContact CD1-CE1 3.23Å; I380-F509 HydrophobicContact CD1-CE2 4.22Å; I380-F509 HydrophobicContact CD1-CG 4.45Å; I380-F509 HydrophobicContact CD1-CZ 3.52Å
381	F	96.7	Very high	95	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	23%	0.228	C	C	.	.			trans	-133.1	111.9	179.2	-59.8	-63.9	0	0	0	110.4	I341 R344 Y345 K350 A352 L379 A383 V469 F490 P492	I341-F381 HydrophobicContact CB-CZ 4.29Å; I341-F381 HydrophobicContact CD1-CZ 3.83Å; I341-F381 HydrophobicContact CG1-CE1 4.39Å; I341-F381 HydrophobicContact CG1-CZ 3.7Å; I341-F381 HydrophobicContact CG2-CE2 3.69Å; I341-F381 HydrophobicContact CG2-CZ 3.7Å; R344-F381 WeakPolarHBondContact O-CD1 3.38Å; Y345-F381 HydrophobicContact CD1-CB 4.26Å; Y345-F381 HydrophobicContact CD2-CB 3.99Å; Y345-F381 HydrophobicContact CD2-CG 4.35Å; Y345-F381 HydrophobicContact CG-CB 3.85Å; K350-F381 HydrophobicContact CB-CE1 4.29Å; K350-F381 HydrophobicContact CG-CE1 4.5Å; A352-F381 HydrophobicContact CB-CE2 3.75Å; A352-F381 HydrophobicContact CB-CZ 3.91Å; L379-F381 HydrophobicContact CB-CD2 4.23Å; L379-F381 HydrophobicContact CB-CE2 4.21Å; L379-F381 HydrophobicContact CD2-CE2 4.44Å; F381-A383 PolarHBondContact O-N 2.94Å; F381-V469 HydrophobicContact CD2-CG2 4.19Å; F381-F490 HydrophobicContact CB-CE2 4.11Å; F381-F490 HydrophobicContact CD2-CE2 4.39Å; F381-P492 CarbonylContact O-C 3.59Å; F381-P492 WeakPolarHBondContact O-CA 3.48Å
382	P	94.7	Very high	94.8	Very high	36 Å²	36	38.6 Å²	38.6	23%	0.234	22%	0.217	C	C	.	.			trans	-56.6	121.7	178.7	-21.5	30.2	0	0	0	111.5	G343 Y345 F494	G343-P382 VanDerWaalsContact O-CD 3.25Å; G343-P382 WeakPolarHBondContact O-CD 3.18Å; Y345-P382 WeakPolarHBondContact CB-O 3.48Å; P382-F494 HydrophobicContact CB-CD2 4.27Å; P382-F494 HydrophobicContact CB-CE2 4.05Å; P382-F494 HydrophobicContact CB-CZ 4.35Å; P382-F494 HydrophobicContact CG-CD1 3.78Å; P382-F494 HydrophobicContact CG-CD2 3.75Å; P382-F494 HydrophobicContact CG-CE1 3.51Å; P382-F494 HydrophobicContact CG-CE2 3.49Å; P382-F494 VanDerWaalsContact CG-CE2 3.49Å; P382-F494 HydrophobicContact CG-CG 3.9Å; P382-F494 HydrophobicContact CG-CZ 3.38Å
383	A	95	Very high	94.6	Very high	24 Å²	24	38.6 Å²	38.6	20%	0.198	21%	0.213	C	C	.	.			trans	-128.3	169.5	178.5	0	0	0	0	0	111.2	Y345 F381 T385 F490 P492	Y345-A383 HydrophobicContact CD1-CB 3.62Å; Y345-A383 HydrophobicContact CE1-CB 3.57Å; F381-A383 PolarHBondContact O-N 2.94Å; A383-T385 PolarHBondContact O-N 2.91Å; A383-F490 HydrophobicContact CB-CZ 4.49Å; A383-P492 HydrophobicContact CB-CB 3.76Å; A383-P492 PolarHBondContact N-O 3.01Å
384	H	94.2	Very high	94.1	Very high	164 Å²	164	44.6 Å²	44.6	76%	0.759	23%	0.233	S	C	*	.			trans	-73.6	115.6	172.8	-65.4	-74.1	0	0	0	110.3	V462	H384-V462 HydrophobicContact CB-CG2 4.21Å; H384-V462 WeakPolarHBondContact O-CG2 3.36Å; H384-V462 PolarHBondContact O-N 3.01Å
385	T	94.6	Very high	93.7	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.252	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.4	-175.7	65.3	0	0	0	0	112.8	A383 H459 N460 V461 P492	A383-T385 PolarHBondContact O-N 2.91Å; T385-H459 HydrophobicContact CG2-CB 3.8Å; T385-N460 CarbonylContact C-O 3.12Å; T385-N460 VanDerWaalsContact CA-O 3.3Å; T385-N460 WeakPolarHBondContact CA-O 3.29Å; T385-V461 HydrophobicContact CG2-CG2 4.36Å; T385-P492 HydrophobicContact CG2-CB 3.88Å; T385-P492 HydrophobicContact CG2-CG 3.67Å
386	N	93.3	Very high	93.3	Very high	110 Å²	110	46.3 Å²	46.3	59%	0.588	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	72.9	172.4	-74.1	-26.6	0	0	0	109.8	N460	N386-N460 HydrophobicContact CB-CB 4.33Å; N386-N460 PolarHBondContact N-O 3.42Å; N386-N460 PolarHBondContact O-ND2 2.9Å
387	S	89.3	Confident	93	Very high	77 Å²	77	49.2 Å²	49.2	54%	0.538	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.5	-177.3	-177.5	-157.6	0	0	0	0	113.7	N460	S387-N460 PolarHBondContact O-N 3.4Å
388	F	92.4	Very high	92.7	Very high	30 Å²	30	50 Å²	50	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	154	178.2	-54.2	-79.4	0	0	0	111.2	F393 H459 N460 P500 L501	F388-F393 HydrophobicContact CB-CD2 3.54Å; F388-F393 HydrophobicContact CB-CE2 3.34Å; F388-F393 HydrophobicContact CB-CZ 4.25Å; F388-F393 HydrophobicContact CD2-CD2 4.29Å; F388-F393 AromaticContact CD2-CE2 3.24Å; F388-F393 HydrophobicContact CD2-CE2 3.24Å; F388-F393 AromaticContact CD2-CZ 3.41Å; F388-F393 HydrophobicContact CD2-CZ 3.41Å; F388-F393 VanDerWaalsContact CD2-CZ 3.41Å; F388-F393 HydrophobicContact CE2-CE2 4.27Å; F388-F393 HydrophobicContact CE2-CZ 4.01Å; F388-F393 HydrophobicContact CG-CD2 4.17Å; F388-F393 AromaticContact CG-CE2 3.55Å; F388-F393 HydrophobicContact CG-CE2 3.55Å; F388-F393 AromaticContact CG-CZ 3.98Å; F388-F393 HydrophobicContact CG-CZ 3.98Å; F388-H459 AromaticContact CD1-CD2 3.68Å; F388-H459 AromaticContact CD1-CE1 3.65Å; F388-H459 AromaticContact CD1-NE2 3.26Å; F388-H459 VanDerWaalsContact CD1-NE2 3.26Å; F388-H459 WeakPolarHBondContact CD1-NE2 3.48Å; F388-H459 AromaticContact CE1-CD2 3.96Å; F388-H459 AromaticContact CE1-CE1 3.55Å; F388-H459 AromaticContact CE1-NE2 3.1Å; F388-H459 WeakPolarHBondContact CE1-NE2 3.35Å; F388-H459 AromaticContact CZ-NE2 3.95Å; F388-N460 PolarHBondContact O-ND2 3.29Å; F388-P500 HydrophobicContact CD2-CG 4.41Å; F388-P500 HydrophobicContact CE2-CG 3.83Å; F388-P500 HydrophobicContact CZ-CG 4.05Å; F388-L501 HydrophobicContact CB-CD1 4.26Å; F388-L501 HydrophobicContact CD1-CD1 3.33Å; F388-L501 HydrophobicContact CD1-CG 3.88Å; F388-L501 HydrophobicContact CE1-CD1 3.93Å; F388-L501 HydrophobicContact CE1-CG 4.18Å; F388-L501 HydrophobicContact CG-CD1 4.05Å; F388-L501 HydrophobicContact CG-CG 4.4Å
389	N	90.8	Very high	92.3	Very high	14 Å²	14	50.8 Å²	50.8	8%	0.075	27%	0.274	C	S	.	.			trans	-68.6	150.7	170.2	69.2	13.5	0	0	0	110	D391 S392 F393 C457 T458	N389-D391 PolarHBondContact O-N 3.36Å; N389-S392 PolarHBondContact ND2-OG 2.93Å; N389-S392 VanDerWaalsContact OD1-CA 3.32Å; N389-S392 WeakPolarHBondContact OD1-CA 3.39Å; N389-S392 WeakPolarHBondContact OD1-CB 3.13Å; N389-S392 PolarHBondContact OD1-N 2.84Å; N389-S392 PolarHBondContact OD1-OG 3.29Å; N389-F393 PolarHBondContact O-N 2.97Å; N389-C457 PolarHBondContact ND2-O 3.23Å; N389-T458 PolarHBondContact N-O 3.26Å; N389-T458 PolarHBondContact OD1-O 2.99Å
390	V	90.7	Very high	92	Very high	113 Å²	113	57 Å²	57	69%	0.685	30%	0.301	S	S	*	.	H	α-helix	trans	-66.2	-33.3	179.4	178.2	0	0	0	0	110.5	F393 R394	V390-F393 PolarHBondContact O-N 3Å; V390-R394 VanDerWaalsContact O-CB 3.25Å; V390-R394 WeakPolarHBondContact O-CB 3.22Å; V390-R394 PolarHBondContact O-N 3.29Å
391	D	87.7	Confident	91.7	Very high	78 Å²	78	61.5 Å²	61.5	42%	0.417	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-45.1	-176.9	-71.8	-23.8	0	0	0	112.8	N389 R394 A395	N389-D391 PolarHBondContact O-N 3.36Å; D391-R394 PolarHBondContact O-N 3.47Å; D391-A395 WeakPolarHBondContact O-CB 3.33Å; D391-A395 PolarHBondContact O-N 2.88Å
392	S	90.3	Very high	91.6	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.007	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-37.1	177.7	-64.7	0	0	0	0	111.7	N389 A395 Q396	N389-S392 PolarHBondContact ND2-OG 2.93Å; N389-S392 VanDerWaalsContact OD1-CA 3.32Å; N389-S392 WeakPolarHBondContact OD1-CA 3.39Å; N389-S392 WeakPolarHBondContact OD1-CB 3.13Å; N389-S392 PolarHBondContact OD1-N 2.84Å; N389-S392 PolarHBondContact OD1-OG 3.29Å; S392-A395 WeakPolarHBondContact O-CB 3.38Å; S392-A395 PolarHBondContact O-N 2.66Å; S392-Q396 WeakPolarHBondContact O-CG 3.43Å; S392-Q396 PolarHBondContact O-N 3.32Å
393	F	88.5	Confident	91.6	Very high	86 Å²	86	66.2 Å²	66.2	38%	0.377	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-49.4	173.5	-98.1	-60.5	0	0	0	112.2	F388 N389 V390 A395 Q396 A397 P500 L501	F388-F393 HydrophobicContact CB-CD2 3.54Å; F388-F393 HydrophobicContact CB-CE2 3.34Å; F388-F393 HydrophobicContact CB-CZ 4.25Å; F388-F393 HydrophobicContact CD2-CD2 4.29Å; F388-F393 AromaticContact CD2-CE2 3.24Å; F388-F393 HydrophobicContact CD2-CE2 3.24Å; F388-F393 AromaticContact CD2-CZ 3.41Å; F388-F393 HydrophobicContact CD2-CZ 3.41Å; F388-F393 VanDerWaalsContact CD2-CZ 3.41Å; F388-F393 HydrophobicContact CE2-CE2 4.27Å; F388-F393 HydrophobicContact CE2-CZ 4.01Å; F388-F393 HydrophobicContact CG-CD2 4.17Å; F388-F393 AromaticContact CG-CE2 3.55Å; F388-F393 HydrophobicContact CG-CE2 3.55Å; F388-F393 AromaticContact CG-CZ 3.98Å; F388-F393 HydrophobicContact CG-CZ 3.98Å; N389-F393 PolarHBondContact O-N 2.97Å; V390-F393 PolarHBondContact O-N 3Å; F393-A395 VanDerWaalsContact C-N 3.25Å; F393-A395 PolarHBondContact O-N 3.32Å; F393-Q396 PolarHBondContact O-N 2.88Å; F393-A397 PolarHBondContact O-N 3.01Å; F393-A397 VanDerWaalsContact O-N 3.1Å; F393-P500 HydrophobicContact CE1-CB 3.69Å; F393-P500 HydrophobicContact CE1-CG 3.46Å; F393-P500 VanDerWaalsContact CE1-CG 3.46Å; F393-P500 HydrophobicContact CZ-CB 4.25Å; F393-P500 HydrophobicContact CZ-CG 3.52Å; F393-L501 HydrophobicContact CD1-CD2 4.03Å; F393-L501 HydrophobicContact CE1-CD2 4.44Å; F393-L501 HydrophobicContact CG-CD2 4.19Å
394	R	88.5	Confident	91.6	Very high	153 Å²	153	70.3 Å²	70.3	58%	0.577	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-40	178.8	-176.8	177.8	179	173.9	0.1	111	V390 D391 A397 I398	V390-R394 VanDerWaalsContact O-CB 3.25Å; V390-R394 WeakPolarHBondContact O-CB 3.22Å; V390-R394 PolarHBondContact O-N 3.29Å; D391-R394 PolarHBondContact O-N 3.47Å; R394-A397 PolarHBondContact O-N 3.38Å; R394-I398 HydrophobicContact CG-CD1 3.72Å; R394-I398 HydrophobicContact CG-CG1 4.33Å; R394-I398 VanDerWaalsContact O-CG1 3.28Å; R394-I398 WeakPolarHBondContact O-CG1 3.43Å; R394-I398 PolarHBondContact O-N 3.02Å
395	A	88.4	Confident	91.7	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-51	177.3	0	0	0	0	0	112.3	G323 Y326 D391 S392 F393 A397 I398 V399	G323-A395 WeakPolarHBondContact O-CB 3.18Å; Y326-A395 HydrophobicContact CD1-CB 3.46Å; Y326-A395 VanDerWaalsContact CD1-CB 3.46Å; Y326-A395 HydrophobicContact CE1-CB 3.53Å; D391-A395 WeakPolarHBondContact O-CB 3.33Å; D391-A395 PolarHBondContact O-N 2.88Å; S392-A395 WeakPolarHBondContact O-CB 3.38Å; S392-A395 PolarHBondContact O-N 2.66Å; F393-A395 VanDerWaalsContact C-N 3.25Å; F393-A395 PolarHBondContact O-N 3.32Å; A395-A397 PolarHBondContact O-N 3.42Å; A395-I398 PolarHBondContact O-N 2.94Å; A395-V399 PolarHBondContact O-N 3.32Å
396	Q	91.4	Very high	91.8	Very high	34 Å²	34	64.7 Å²	64.7	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-39.5	179.2	-62.3	-55.1	-28.7	0	0	111.9	F320 S392 F393 K400 L501	F320-Q396 VanDerWaalsContact CD2-NE2 3.35Å; F320-Q396 PolarHBondContact O-NE2 2.98Å; S392-Q396 WeakPolarHBondContact O-CG 3.43Å; S392-Q396 PolarHBondContact O-N 3.32Å; F393-Q396 PolarHBondContact O-N 2.88Å; Q396-K400 VanDerWaalsContact O-CB 3.3Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 3.42Å; Q396-L501 HydrophobicContact CG-CD2 4.06Å
397	A	92.2	Very high	91.9	Very high	61 Å²	61	63.5 Å²	63.5	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-43.7	178	0	0	0	0	0	112.9	F393 R394 A395 K400 Q401	F393-A397 PolarHBondContact O-N 3.01Å; F393-A397 VanDerWaalsContact O-N 3.1Å; R394-A397 PolarHBondContact O-N 3.38Å; A395-A397 PolarHBondContact O-N 3.42Å; A397-K400 PolarHBondContact O-N 3.1Å; A397-Q401 PolarHBondContact O-N 2.98Å
398	I	91.8	Very high	92.3	Very high	18 Å²	18	62.4 Å²	62.4	9%	0.092	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-47	178.8	-70.8	166.6	0	0	0	110.8	Y326 R394 A395 K400 Q401 L402 A447 T448	Y326-I398 HydrophobicContact CE2-CD1 4.08Å; R394-I398 HydrophobicContact CG-CD1 3.72Å; R394-I398 HydrophobicContact CG-CG1 4.33Å; R394-I398 VanDerWaalsContact O-CG1 3.28Å; R394-I398 WeakPolarHBondContact O-CG1 3.43Å; R394-I398 PolarHBondContact O-N 3.02Å; A395-I398 PolarHBondContact O-N 2.94Å; I398-K400 VanDerWaalsContact C-N 3.35Å; I398-Q401 PolarHBondContact O-N 3.44Å; I398-L402 PolarHBondContact O-N 3.36Å; I398-A447 HydrophobicContact CG2-CB 4.45Å; I398-T448 HydrophobicContact CG2-CG2 3.67Å
399	V	91.7	Very high	92.5	Very high	18 Å²	18	61.2 Å²	61.2	11%	0.109	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-36.5	-179.1	171.4	0	0	0	0	111.5	Q322 A395 L402 R403	Q322-V399 HydrophobicContact CB-CG1 4.44Å; A395-V399 PolarHBondContact O-N 3.32Å; V399-L402 PolarHBondContact O-N 2.73Å; V399-R403 WeakPolarHBondContact O-CB 3.43Å; V399-R403 PolarHBondContact O-N 3.27Å
400	K	91.7	Very high	92.7	Very high	131 Å²	131	66.6 Å²	66.6	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-59.3	-47.8	172.5	-175.5	177.8	177.5	-179.4	0	111.6	Q396 A397 I398 L402 R403 E404	Q396-K400 VanDerWaalsContact O-CB 3.3Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 3.42Å; A397-K400 PolarHBondContact O-N 3.1Å; I398-K400 VanDerWaalsContact C-N 3.35Å; K400-L402 VanDerWaalsContact C-N 3.35Å; K400-L402 PolarHBondContact O-N 3.35Å; K400-R403 PolarHBondContact O-N 3.33Å; K400-E404 WeakPolarHBondContact CE-OE1 3.43Å; K400-E404 WeakPolarHBondContact O-CG 3.05Å; K400-E404 PolarHBondContact O-N 3.48Å
401	Q	92.9	Very high	93	Very high	100 Å²	100	64.9 Å²	64.9	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-42.3	177.9	-176.4	179.5	11.4	0	0	112.4	A397 I398 R403 E404 T405	A397-Q401 PolarHBondContact O-N 2.98Å; I398-Q401 PolarHBondContact O-N 3.44Å; Q401-R403 VanDerWaalsContact C-N 3.35Å; Q401-E404 PolarHBondContact O-N 3.05Å; Q401-T405 WeakPolarHBondContact O-CB 3.41Å; Q401-T405 PolarHBondContact O-N 2.85Å; Q401-T405 PolarHBondContact O-OG1 3Å
402	L	94.3	Very high	93.4	Very high	45 Å²	45	64.1 Å²	64.1	24%	0.236	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-45	175.6	174.1	60.7	0	0	0	110.8	I398 V399 K400 T405 V406 C444 T448	I398-L402 PolarHBondContact O-N 3.36Å; V399-L402 PolarHBondContact O-N 2.73Å; K400-L402 VanDerWaalsContact C-N 3.35Å; K400-L402 PolarHBondContact O-N 3.35Å; L402-T405 PolarHBondContact O-N 3.03Å; L402-V406 HydrophobicContact CD1-CG2 4.09Å; L402-V406 VanDerWaalsContact O-CG2 3.31Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.13Å; L402-C444 HydrophobicContact CB-CB 4.29Å; L402-C444 HydrophobicContact CD1-CB 3.47Å; L402-C444 VanDerWaalsContact CD1-CB 3.47Å; L402-C444 HydrophobicContact CG-CB 4.44Å; L402-T448 HydrophobicContact CD2-CG2 4.08Å
403	R	93.6	Very high	93.7	Very high	91 Å²	91	66.8 Å²	66.8	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-45.1	178.8	-170.2	178.7	-58.8	-86	-1.5	112.2	V399 K400 Q401 T405 V406 N407	V399-R403 WeakPolarHBondContact O-CB 3.43Å; V399-R403 PolarHBondContact O-N 3.27Å; K400-R403 PolarHBondContact O-N 3.33Å; Q401-R403 VanDerWaalsContact C-N 3.35Å; R403-T405 VanDerWaalsContact C-N 3.32Å; R403-T405 PolarHBondContact O-N 2.85Å; R403-V406 PolarHBondContact O-N 3.01Å; R403-N407 WeakPolarHBondContact O-CB 3.12Å; R403-N407 PolarHBondContact O-N 2.75Å; R403-N407 PolarHBondContact O-OD1 3.41Å
404	E	95.5	Very high	94	Very high	109 Å²	109	64.3 Å²	64.3	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-42.2	175.9	-72.6	171.4	179.4	0	0	111.7	K400 Q401 N407 S408	K400-E404 WeakPolarHBondContact CE-OE1 3.43Å; K400-E404 WeakPolarHBondContact O-CG 3.05Å; K400-E404 PolarHBondContact O-N 3.48Å; Q401-E404 PolarHBondContact O-N 3.05Å; E404-N407 PolarHBondContact O-N 3.07Å; E404-S408 PolarHBondContact O-N 3.16Å
405	T	95.9	Very high	94.4	Very high	26 Å²	26	63.1 Å²	63.1	16%	0.16	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-44.6	176.5	-57.2	0	0	0	0	111.5	Q401 L402 R403 S408 I409 R440 C444	Q401-T405 WeakPolarHBondContact O-CB 3.41Å; Q401-T405 PolarHBondContact O-N 2.85Å; Q401-T405 PolarHBondContact O-OG1 3Å; L402-T405 PolarHBondContact O-N 3.03Å; R403-T405 VanDerWaalsContact C-N 3.32Å; R403-T405 PolarHBondContact O-N 2.85Å; T405-S408 PolarHBondContact O-N 3.5Å; T405-I409 HydrophobicContact CG2-CD1 3.98Å; T405-I409 WeakPolarHBondContact O-CG1 3.45Å; T405-I409 PolarHBondContact O-N 2.97Å; T405-R440 HydrophobicContact CG2-CB 4.09Å; T405-C444 PolarHBondContact OG1-SG 3.35Å
406	V	96.3	Very high	94.7	Very high	62 Å²	62	65.7 Å²	65.7	38%	0.376	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.7	169.7	0	0	0	0	111	L402 R403 S408 I409 Q410 L441	L402-V406 HydrophobicContact CD1-CG2 4.09Å; L402-V406 VanDerWaalsContact O-CG2 3.31Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.13Å; R403-V406 PolarHBondContact O-N 3.01Å; V406-S408 PolarHBondContact O-N 2.98Å; V406-I409 PolarHBondContact O-N 3.3Å; V406-Q410 WeakPolarHBondContact O-CB 3.35Å; V406-Q410 PolarHBondContact O-N 3.06Å; V406-L441 HydrophobicContact CG2-CD2 3.92Å
407	N	96.7	Very high	94.9	Very high	85 Å²	85	67.8 Å²	67.8	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-40.8	178.9	-71	-11.5	0	0	0	112.1	R403 E404 Q410 C411	R403-N407 WeakPolarHBondContact O-CB 3.12Å; R403-N407 PolarHBondContact O-N 2.75Å; R403-N407 PolarHBondContact O-OD1 3.41Å; E404-N407 PolarHBondContact O-N 3.07Å; N407-Q410 PolarHBondContact O-N 2.83Å; N407-C411 PolarHBondContact O-N 3.48Å
408	S	96.7	Very high	95.2	Very high	54 Å²	54	71.1 Å²	71.1	38%	0.378	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-48.7	174.4	-174.8	0	0	0	0	111.3	E404 T405 V406 Q410 C411 E412	E404-S408 PolarHBondContact O-N 3.16Å; T405-S408 PolarHBondContact O-N 3.5Å; V406-S408 PolarHBondContact O-N 2.98Å; S408-Q410 VanDerWaalsContact C-N 3.33Å; S408-Q410 PolarHBondContact O-N 3.14Å; S408-C411 PolarHBondContact O-N 2.97Å; S408-E412 WeakPolarHBondContact O-CG 3.49Å; S408-E412 PolarHBondContact O-N 3.1Å; S408-E412 VanDerWaalsContact O-N 3.12Å; S408-E412 PolarHBondContact OG-OE1 3.05Å
409	I	96.4	Very high	95.4	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.026	37%	0.373	C	S	.	.	H	α-helix	trans	-64	-40.4	179.2	-68.1	168.4	0	0	0	110.5	T405 V406 C411 E412 M413 L433 D437 R440 L441	T405-I409 HydrophobicContact CG2-CD1 3.98Å; T405-I409 WeakPolarHBondContact O-CG1 3.45Å; T405-I409 PolarHBondContact O-N 2.97Å; V406-I409 PolarHBondContact O-N 3.3Å; I409-C411 VanDerWaalsContact C-N 3.32Å; I409-C411 PolarHBondContact O-N 3.33Å; I409-E412 PolarHBondContact O-N 3.35Å; I409-M413 HydrophobicContact CG2-CG 4.03Å; I409-M413 HydrophobicContact CG2-SD 3.75Å; I409-M413 VanDerWaalsContact O-CB 3.31Å; I409-M413 WeakPolarHBondContact O-CB 3.39Å; I409-M413 WeakPolarHBondContact O-CG 3.36Å; I409-M413 PolarHBondContact O-N 3.42Å; I409-L433 HydrophobicContact CG2-CD1 4.15Å; I409-D437 HydrophobicContact CD1-CB 4.1Å; I409-D437 HydrophobicContact CG1-CB 4.3Å; I409-D437 HydrophobicContact CG2-CB 4.02Å; I409-R440 HydrophobicContact CD1-CB 4.25Å; I409-L441 HydrophobicContact CD1-CD1 4.23Å; I409-L441 HydrophobicContact CD1-CD2 3.78Å; I409-L441 HydrophobicContact CD1-CG 3.64Å
410	Q	96.4	Very high	95.5	Very high	126 Å²	126	74.7 Å²	74.7	59%	0.589	38%	0.376	S	S	*	.	H	α-helix	trans	-59.6	-41.9	176.8	-176.5	-178.2	-0.1	0	0	111.9	V406 N407 S408 M413 G414	V406-Q410 WeakPolarHBondContact O-CB 3.35Å; V406-Q410 PolarHBondContact O-N 3.06Å; N407-Q410 PolarHBondContact O-N 2.83Å; S408-Q410 VanDerWaalsContact C-N 3.33Å; S408-Q410 PolarHBondContact O-N 3.14Å; Q410-M413 PolarHBondContact O-N 3.42Å; Q410-G414 PolarHBondContact O-N 2.84Å
411	C	96.4	Very high	95.8	Very high	77 Å²	77	71.6 Å²	71.6	52%	0.52	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-48.9	176.2	-167.8	0	0	0	0	111.3	N407 S408 I409 M413 G414 H415	N407-C411 PolarHBondContact O-N 3.48Å; S408-C411 PolarHBondContact O-N 2.97Å; I409-C411 VanDerWaalsContact C-N 3.32Å; I409-C411 PolarHBondContact O-N 3.33Å; C411-M413 PolarHBondContact O-N 3.29Å; C411-G414 PolarHBondContact O-N 3.46Å; C411-G414 VanDerWaalsContact O-N 3.16Å; C411-H415 PolarHBondContact O-CD2 2.99Å; C411-H415 PolarHBondContact O-N 2.94Å; C411-H415 VanDerWaalsContact O-N 3.16Å
412	E	96.1	Very high	95.9	Very high	62 Å²	62	72.5 Å²	72.5	29%	0.29	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-40.8	176.8	-66.2	173.3	-145.4	0	0	112.4	S408 I409 G414 H415 R416 R440	S408-E412 WeakPolarHBondContact O-CG 3.49Å; S408-E412 PolarHBondContact O-N 3.1Å; S408-E412 VanDerWaalsContact O-N 3.12Å; S408-E412 PolarHBondContact OG-OE1 3.05Å; I409-E412 PolarHBondContact O-N 3.35Å; E412-G414 VanDerWaalsContact C-N 3.34Å; E412-G414 PolarHBondContact O-N 3.48Å; E412-H415 PolarHBondContact O-N 3.43Å; E412-R416 PolarHBondContact O-N 3.18Å; E412-R416 VanDerWaalsContact O-N 3.09Å; E412-R416 IonicContact OE2-NH1 2.74Å; E412-R440 VanDerWaalsContact CD-NH2 3.29Å; E412-R440 IonicContact OE1-CZ 2.77Å; E412-R440 IonicContact OE1-NH1 3.07Å; E412-R440 PolarHBondContact OE1-NH1 2.85Å; E412-R440 IonicContact OE1-NH2 2.63Å; E412-R440 PolarHBondContact OE1-NH2 3.41Å; E412-R440 IonicContact OE2-CZ 3.52Å; E412-R440 IonicContact OE2-NH2 3.54Å; E412-R440 PolarHBondContact OE2-NH2 3.46Å
413	M	95.8	Very high	96	Very high	57 Å²	57	78.7 Å²	78.7	28%	0.281	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-42.8	173.5	-77.2	177.6	72.3	0	0	111.5	I409 Q410 C411 H415 R416 L417 L432 L433	I409-M413 HydrophobicContact CG2-CG 4.03Å; I409-M413 HydrophobicContact CG2-SD 3.75Å; I409-M413 VanDerWaalsContact O-CB 3.31Å; I409-M413 WeakPolarHBondContact O-CB 3.39Å; I409-M413 WeakPolarHBondContact O-CG 3.36Å; I409-M413 PolarHBondContact O-N 3.42Å; Q410-M413 PolarHBondContact O-N 3.42Å; C411-M413 PolarHBondContact O-N 3.29Å; M413-H415 VanDerWaalsContact C-N 3.34Å; M413-H415 PolarHBondContact O-N 2.77Å; M413-R416 PolarHBondContact O-N 2.89Å; M413-L417 VanDerWaalsContact O-CB 3.31Å; M413-L417 WeakPolarHBondContact O-CB 3.08Å; M413-L417 PolarHBondContact O-N 2.94Å; M413-L432 HydrophobicContact CE-CB 3.99Å; M413-L432 VanDerWaalsContact CG-O 3.28Å; M413-L432 WeakPolarHBondContact CG-O 3.36Å; M413-L433 HydrophobicContact CE-CD1 4.41Å; M413-L433 HydrophobicContact SD-CD1 3.85Å
414	G	95.5	Very high	96	Very high	35 Å²	35	77.9 Å²	77.9	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-60.1	-42	177.2	0	0	0	0	0	112.6	Q410 C411 E412 F418	Q410-G414 PolarHBondContact O-N 2.84Å; C411-G414 PolarHBondContact O-N 3.46Å; C411-G414 VanDerWaalsContact O-N 3.16Å; E412-G414 VanDerWaalsContact C-N 3.34Å; E412-G414 PolarHBondContact O-N 3.48Å; G414-F418 PolarHBondContact O-N 3.28Å
415	H	96.1	Very high	96	Very high	127 Å²	127	81.7 Å²	81.7	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-63.6	-45.2	174.2	-75.3	-70.4	0	0	0	112.6	C411 E412 M413 F418 E419	C411-H415 PolarHBondContact O-CD2 2.99Å; C411-H415 PolarHBondContact O-N 2.94Å; C411-H415 VanDerWaalsContact O-N 3.16Å; E412-H415 PolarHBondContact O-N 3.43Å; M413-H415 VanDerWaalsContact C-N 3.34Å; M413-H415 PolarHBondContact O-N 2.77Å; H415-F418 PolarHBondContact O-N 3.16Å; H415-E419 PolarHBondContact O-N 2.69Å
416	R	95.6	Very high	95.9	Very high	57 Å²	57	87.5 Å²	87.5	22%	0.215	46%	0.456	C	S	.	.	H	α-helix	trans	-64.4	-42.4	178.1	-69.9	-173.8	-70.2	-115	2.2	112.1	E412 M413 F418 E419 V420 D431 L432 D437	E412-R416 PolarHBondContact O-N 3.18Å; E412-R416 VanDerWaalsContact O-N 3.09Å; E412-R416 IonicContact OE2-NH1 2.74Å; M413-R416 PolarHBondContact O-N 2.89Å; R416-F418 VanDerWaalsContact C-N 3.34Å; R416-F418 PolarHBondContact O-N 3.46Å; R416-E419 PolarHBondContact O-N 3.36Å; R416-V420 WeakPolarHBondContact O-CG2 2.75Å; R416-V420 PolarHBondContact O-N 3.46Å; R416-D431 WeakPolarHBondContact CD-O 2.94Å; R416-L432 PolarHBondContact NE-O 3.06Å; R416-L432 PolarHBondContact NH2-O 3.39Å; R416-D437 IonicContact CZ-OD2 3.66Å; R416-D437 IonicContact NH1-OD2 3.33Å; R416-D437 IonicContact NH2-OD2 2.84Å; R416-D437 PolarHBondContact NH2-OD2 2.61Å
417	L	96.3	Very high	95.7	Very high	78 Å²	78	85.6 Å²	85.6	41%	0.408	44%	0.444	S	S	.	.	H	α-helix	trans	-55.5	-50.1	174.4	175.3	59.4	0	0	0	110.9	M413 V420 C421 P427 L432	M413-L417 VanDerWaalsContact O-CB 3.31Å; M413-L417 WeakPolarHBondContact O-CB 3.08Å; M413-L417 PolarHBondContact O-N 2.94Å; L417-V420 PolarHBondContact O-N 3.2Å; L417-C421 WeakPolarHBondContact O-CB 3.39Å; L417-C421 PolarHBondContact O-N 2.77Å; L417-C421 VanDerWaalsContact O-N 3.07Å; L417-C421 PolarHBondContact O-SG 3.27Å; L417-P427 HydrophobicContact CD1-CB 4.48Å; L417-P427 HydrophobicContact CD1-CG 3.34Å; L417-L432 HydrophobicContact CB-CD2 3.71Å; L417-L432 HydrophobicContact CD1-CD2 4.2Å
418	F	96.7	Very high	95.5	Very high	131 Å²	131	87.5 Å²	87.5	58%	0.575	45%	0.451	S	S	*	.	H	α-helix	trans	-60.3	-48.8	178.4	178.5	-101.7	0	0	0	112	G414 H415 R416 V420 C421 L422	G414-F418 PolarHBondContact O-N 3.28Å; H415-F418 PolarHBondContact O-N 3.16Å; R416-F418 VanDerWaalsContact C-N 3.34Å; R416-F418 PolarHBondContact O-N 3.46Å; F418-V420 PolarHBondContact O-N 3Å; F418-C421 PolarHBondContact O-N 3.35Å; F418-L422 HydrophobicContact CE1-CD2 4.05Å; F418-L422 HydrophobicContact CZ-CD2 4.34Å; F418-L422 VanDerWaalsContact O-CB 3.28Å; F418-L422 WeakPolarHBondContact O-CB 3.28Å; F418-L422 PolarHBondContact O-N 3.33Å
419	E	96.2	Very high	95.1	Very high	83 Å²	83	87.6 Å²	87.6	39%	0.388	46%	0.46	S	S	.	.	H	α-helix	trans	-59.5	-43.9	179.8	-84.7	-69.3	136.9	0	0	113.3	H415 R416 L422 R423	H415-E419 PolarHBondContact O-N 2.69Å; R416-E419 PolarHBondContact O-N 3.36Å; E419-L422 PolarHBondContact O-N 2.8Å; E419-R423 VanDerWaalsContact O-CG 3.27Å; E419-R423 WeakPolarHBondContact O-CG 3.49Å; E419-R423 PolarHBondContact O-N 3.2Å; E419-R423 IonicContact OE2-CZ 3.56Å; E419-R423 IonicContact OE2-NE 3.61Å; E419-R423 IonicContact OE2-NH2 3.34Å; E419-R423 PolarHBondContact OE2-NH2 2.86Å
420	V	95.3	Very high	94.9	Very high	28 Å²	28	91.7 Å²	91.7	17%	0.17	49%	0.489	C	S	.	.	H	α-helix	trans	-68.7	-44.2	-179.7	176.4	0	0	0	0	110.9	R416 L417 F418 L422 R423 R425 P427 D431	R416-V420 WeakPolarHBondContact O-CG2 2.75Å; R416-V420 PolarHBondContact O-N 3.46Å; L417-V420 PolarHBondContact O-N 3.2Å; F418-V420 PolarHBondContact O-N 3Å; V420-L422 VanDerWaalsContact C-N 3.34Å; V420-L422 PolarHBondContact O-N 3.01Å; V420-R423 PolarHBondContact O-N 3.05Å; V420-R425 CarbonylContact C-O 3.51Å; V420-R425 HydrophobicContact CG1-CB 4Å; V420-R425 PolarHBondContact O-N 3.29Å; V420-P427 HydrophobicContact CB-CB 4.03Å; V420-P427 HydrophobicContact CB-CG 4.34Å; V420-P427 HydrophobicContact CG1-CB 3.74Å; V420-P427 HydrophobicContact CG1-CG 4.19Å; V420-P427 HydrophobicContact CG2-CB 4.49Å; V420-D431 HydrophobicContact CG2-CB 4.3Å
421	C	96.7	Very high	94.5	Very high	65 Å²	65	88.8 Å²	88.8	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-40.7	175.7	-73	0	0	0	0	112	L417 F418 R423 G424 R425	L417-C421 WeakPolarHBondContact O-CB 3.39Å; L417-C421 PolarHBondContact O-N 2.77Å; L417-C421 VanDerWaalsContact O-N 3.07Å; L417-C421 PolarHBondContact O-SG 3.27Å; F418-C421 PolarHBondContact O-N 3.35Å; C421-R423 PolarHBondContact O-N 2.65Å; C421-G424 PolarHBondContact O-N 3.22Å; C421-R425 WeakPolarHBondContact CA-O 3.42Å
422	L	96.5	Very high	94.4	Very high	119 Å²	119	86.9 Å²	86.9	62%	0.623	46%	0.462	S	S	*	.	H	α-helix	trans	-61.9	-30.1	177.4	-172.8	64.7	0	0	0	112.1	F418 E419 V420 G424	F418-L422 HydrophobicContact CE1-CD2 4.05Å; F418-L422 HydrophobicContact CZ-CD2 4.34Å; F418-L422 VanDerWaalsContact O-CB 3.28Å; F418-L422 WeakPolarHBondContact O-CB 3.28Å; F418-L422 PolarHBondContact O-N 3.33Å; E419-L422 PolarHBondContact O-N 2.8Å; V420-L422 VanDerWaalsContact C-N 3.34Å; V420-L422 PolarHBondContact O-N 3.01Å; L422-G424 PolarHBondContact O-N 3.14Å
423	R	95.1	Very high	94.3	Very high	176 Å²	176	86.9 Å²	86.9	66%	0.664	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	7.7	174.4	-64.8	169.3	-165.5	-163.3	4.1	113.6	E419 V420 C421 R425	E419-R423 VanDerWaalsContact O-CG 3.27Å; E419-R423 WeakPolarHBondContact O-CG 3.49Å; E419-R423 PolarHBondContact O-N 3.2Å; E419-R423 IonicContact OE2-CZ 3.56Å; E419-R423 IonicContact OE2-NE 3.61Å; E419-R423 IonicContact OE2-NH2 3.34Å; E419-R423 PolarHBondContact OE2-NH2 2.86Å; V420-R423 PolarHBondContact O-N 3.05Å; C421-R423 PolarHBondContact O-N 2.65Å; R423-R425 VanDerWaalsContact C-N 3.33Å; R423-R425 PolarHBondContact O-N 3.42Å
424	G	94.5	Very high	94.2	Very high	73 Å²	73	86.6 Å²	86.6	75%	0.753	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	21	177.7	0	0	0	0	0	114.3	C421 L422	C421-G424 PolarHBondContact O-N 3.22Å; L422-G424 PolarHBondContact O-N 3.14Å
425	R	94.5	Very high	94.1	Very high	190 Å²	190	92.4 Å²	92.4	72%	0.717	48%	0.483	S	S	*	.			trans	-115.2	146.6	177	-62	-177.8	-174.2	-179.7	0.9	110	V420 C421 R423	V420-R425 CarbonylContact C-O 3.51Å; V420-R425 HydrophobicContact CG1-CB 4Å; V420-R425 PolarHBondContact O-N 3.29Å; C421-R425 WeakPolarHBondContact CA-O 3.42Å; R423-R425 VanDerWaalsContact C-N 3.33Å; R423-R425 PolarHBondContact O-N 3.42Å
426	I	93.6	Very high	94	Very high	148 Å²	148	88.3 Å²	88.3	76%	0.759	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-83.7	122.5	170.3	-61.8	175.6	0	0	0	107.8
427	P	92.8	Very high	94	Very high	21 Å²	21	85.7 Å²	85.7	14%	0.136	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-67.2	143.4	-177.6	15	-18	0	0	0	112.9	L417 V420 D431 L432	L417-P427 HydrophobicContact CD1-CB 4.48Å; L417-P427 HydrophobicContact CD1-CG 3.34Å; V420-P427 HydrophobicContact CB-CB 4.03Å; V420-P427 HydrophobicContact CB-CG 4.34Å; V420-P427 HydrophobicContact CG1-CB 3.74Å; V420-P427 HydrophobicContact CG1-CG 4.19Å; V420-P427 HydrophobicContact CG2-CB 4.49Å; P427-D431 HydrophobicContact CB-CB 4.22Å; P427-L432 HydrophobicContact CB-CD2 3.93Å; P427-L432 HydrophobicContact CB-CG 4.16Å; P427-L432 HydrophobicContact CG-CD2 4.31Å
428	Q	92	Very high	93.9	Very high	126 Å²	126	83.7 Å²	83.7	59%	0.589	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-95.6	164.8	172.3	-61.1	-63.5	-36.5	0	0	110.7	S430 D431 L432	Q428-S430 PolarHBondContact O-N 3.37Å; Q428-S430 VanDerWaalsContact O-N 3.15Å; Q428-D431 PolarHBondContact N-OD2 2.85Å; Q428-D431 WeakPolarHBondContact O-CB 3.08Å; Q428-D431 PolarHBondContact O-N 2.8Å; Q428-L432 PolarHBondContact O-N 3.38Å
429	G	89.3	Confident	93.8	Very high	56 Å²	56	84.2 Å²	84.2	58%	0.577	46%	0.459	S	S	*	.	H	α-helix	trans	-55.3	-35.8	-178.2	0	0	0	0	0	114.1	D431 L432 L433	G429-D431 VanDerWaalsContact C-N 3.34Å; G429-L432 PolarHBondContact O-N 3.44Å; G429-L433 PolarHBondContact O-N 3.02Å
430	S	90.9	Very high	93.7	Very high	90 Å²	90	84.1 Å²	84.1	63%	0.629	46%	0.455	S	S	*	.	H	α-helix	trans	-71.4	-24.2	176.2	52.9	0	0	0	0	114.2	Q428 L432	Q428-S430 PolarHBondContact O-N 3.37Å; Q428-S430 VanDerWaalsContact O-N 3.15Å; S430-L432 VanDerWaalsContact C-N 3.3Å
431	D	88.8	Confident	93.7	Very high	66 Å²	66	84.7 Å²	84.7	35%	0.353	46%	0.457	S	S	.	.	H	α-helix	trans	-75.3	-27.8	176.3	-57.9	-37.3	0	0	0	110.9	R416 V420 P427 Q428 G429	R416-D431 WeakPolarHBondContact CD-O 2.94Å; V420-D431 HydrophobicContact CG2-CB 4.3Å; P427-D431 HydrophobicContact CB-CB 4.22Å; Q428-D431 PolarHBondContact N-OD2 2.85Å; Q428-D431 WeakPolarHBondContact O-CB 3.08Å; Q428-D431 PolarHBondContact O-N 2.8Å; G429-D431 VanDerWaalsContact C-N 3.34Å
432	L	93.4	Very high	93.6	Very high	36 Å²	36	86.8 Å²	86.8	19%	0.188	46%	0.458	C	S	.	.	H	α-helix	trans	-91.2	-49.3	-178.7	-58.1	-178.6	0	0	0	111.6	M413 R416 L417 P427 Q428 G429 S430	M413-L432 HydrophobicContact CE-CB 3.99Å; M413-L432 VanDerWaalsContact CG-O 3.28Å; M413-L432 WeakPolarHBondContact CG-O 3.36Å; R416-L432 PolarHBondContact NE-O 3.06Å; R416-L432 PolarHBondContact NH2-O 3.39Å; L417-L432 HydrophobicContact CB-CD2 3.71Å; L417-L432 HydrophobicContact CD1-CD2 4.2Å; P427-L432 HydrophobicContact CB-CD2 3.93Å; P427-L432 HydrophobicContact CB-CG 4.16Å; P427-L432 HydrophobicContact CG-CD2 4.31Å; Q428-L432 PolarHBondContact O-N 3.38Å; G429-L432 PolarHBondContact O-N 3.44Å; S430-L432 VanDerWaalsContact C-N 3.3Å
433	L	94.3	Very high	93.5	Very high	63 Å²	63	89.5 Å²	89.5	33%	0.33	46%	0.46	S	S	.	.	S	Bend	trans	-107.8	104.3	-175.3	-159.1	83.7	0	0	0	111	I409 M413 G429 D437 V438 L441	I409-L433 HydrophobicContact CG2-CD1 4.15Å; M413-L433 HydrophobicContact CE-CD1 4.41Å; M413-L433 HydrophobicContact SD-CD1 3.85Å; G429-L433 PolarHBondContact O-N 3.02Å; L433-D437 HydrophobicContact CD1-CB 4.1Å; L433-D437 HydrophobicContact CG-CB 4.23Å; L433-V438 HydrophobicContact CD2-CG2 3.57Å; L433-V438 HydrophobicContact CG-CG2 4.09Å; L433-L441 HydrophobicContact CD1-CD1 4.29Å
434	T	93.9	Very high	93.3	Very high	50 Å²	50	81.7 Å²	81.7	31%	0.307	43%	0.433	S	S	.	.			trans	-77.9	162.6	-178.8	70.6	0	0	0	0	111.7	G436 D437 V438	T434-G436 PolarHBondContact O-N 3.01Å; T434-D437 WeakPolarHBondContact CB-OD2 3.48Å; T434-D437 PolarHBondContact N-OD2 3.17Å; T434-D437 WeakPolarHBondContact O-CB 3.48Å; T434-D437 PolarHBondContact O-N 3.13Å; T434-D437 PolarHBondContact OG1-N 3Å; T434-D437 PolarHBondContact OG1-OD1 3.39Å; T434-D437 PolarHBondContact OG1-OD2 3.45Å; T434-V438 WeakPolarHBondContact O-CG2 3.35Å; T434-V438 PolarHBondContact O-N 3.23Å
435	Q	93.7	Very high	93.2	Very high	158 Å²	158	82.3 Å²	82.3	74%	0.738	42%	0.418	S	S	*	.	H	α-helix	trans	-60.7	-32	173.9	-69.4	-62.7	-29	0	0	112.7	D437 V438 F439	Q435-D437 VanDerWaalsContact C-N 3.35Å; Q435-V438 PolarHBondContact O-N 3.48Å; Q435-F439 PolarHBondContact O-N 3.05Å
436	G	94	Very high	93	Very high	41 Å²	41	80.1 Å²	80.1	42%	0.423	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-40	173.2	0	0	0	0	0	112.3	T434 F439 R440	T434-G436 PolarHBondContact O-N 3.01Å; G436-F439 PolarHBondContact O-N 3.32Å; G436-R440 WeakPolarHBondContact O-CG 3.47Å; G436-R440 PolarHBondContact O-N 2.9Å
437	D	95.2	Very high	92.8	Very high	1 Å²	1	75.1 Å²	75.1	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-46.5	175.5	-55.8	-35.5	0	0	0	111.1	I409 R416 L433 T434 Q435 F439 R440 L441	I409-D437 HydrophobicContact CD1-CB 4.1Å; I409-D437 HydrophobicContact CG1-CB 4.3Å; I409-D437 HydrophobicContact CG2-CB 4.02Å; R416-D437 IonicContact CZ-OD2 3.66Å; R416-D437 IonicContact NH1-OD2 3.33Å; R416-D437 IonicContact NH2-OD2 2.84Å; R416-D437 PolarHBondContact NH2-OD2 2.61Å; L433-D437 HydrophobicContact CD1-CB 4.1Å; L433-D437 HydrophobicContact CG-CB 4.23Å; T434-D437 WeakPolarHBondContact CB-OD2 3.48Å; T434-D437 PolarHBondContact N-OD2 3.17Å; T434-D437 WeakPolarHBondContact O-CB 3.48Å; T434-D437 PolarHBondContact O-N 3.13Å; T434-D437 PolarHBondContact OG1-N 3Å; T434-D437 PolarHBondContact OG1-OD1 3.39Å; T434-D437 PolarHBondContact OG1-OD2 3.45Å; Q435-D437 VanDerWaalsContact C-N 3.35Å; D437-F439 VanDerWaalsContact C-N 3.28Å; D437-F439 PolarHBondContact O-N 2.93Å; D437-R440 PolarHBondContact O-N 2.98Å; D437-R440 IonicContact OD1-CZ 2.66Å; D437-R440 IonicContact OD1-NE 3.96Å; D437-R440 IonicContact OD1-NH2 3.32Å; D437-R440 PolarHBondContact OD1-NH2 3.28Å; D437-L441 WeakPolarHBondContact O-CG 3.41Å; D437-L441 PolarHBondContact O-N 3.14Å
438	V	94.8	Very high	92.6	Very high	37 Å²	37	75.3 Å²	75.3	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-58.6	-41.1	176.8	176.4	0	0	0	0	111	L433 T434 Q435 L441 K442	L433-V438 HydrophobicContact CD2-CG2 3.57Å; L433-V438 HydrophobicContact CG-CG2 4.09Å; T434-V438 WeakPolarHBondContact O-CG2 3.35Å; T434-V438 PolarHBondContact O-N 3.23Å; Q435-V438 PolarHBondContact O-N 3.48Å; V438-L441 PolarHBondContact O-N 3.49Å; V438-K442 HydrophobicContact CG1-CD 4.23Å; V438-K442 HydrophobicContact CG1-CG 4.45Å; V438-K442 WeakPolarHBondContact O-CB 3.35Å; V438-K442 WeakPolarHBondContact O-CG 3.39Å; V438-K442 PolarHBondContact O-N 2.83Å
439	F	94.7	Very high	92.3	Very high	142 Å²	142	75.6 Å²	75.6	62%	0.623	39%	0.393	S	S	*	.	H	α-helix	trans	-64.4	-46	176.1	178.8	-96.8	0	0	0	112.4	Q435 G436 D437 L441 K442 R443	Q435-F439 PolarHBondContact O-N 3.05Å; G436-F439 PolarHBondContact O-N 3.32Å; D437-F439 VanDerWaalsContact C-N 3.28Å; D437-F439 PolarHBondContact O-N 2.93Å; F439-L441 VanDerWaalsContact C-N 3.34Å; F439-L441 PolarHBondContact O-N 3.38Å; F439-K442 PolarHBondContact O-N 3.34Å; F439-R443 PolarHBondContact O-N 2.95Å
440	R	94.3	Very high	92.1	Very high	81 Å²	81	74.7 Å²	74.7	31%	0.306	37%	0.372	S	S	.	.	H	α-helix	trans	-58.2	-45.9	175.9	-74.1	-169.6	-75.5	-177.8	-6.5	111.5	T405 I409 E412 G436 D437 R443 C444	T405-R440 HydrophobicContact CG2-CB 4.09Å; I409-R440 HydrophobicContact CD1-CB 4.25Å; E412-R440 VanDerWaalsContact CD-NH2 3.29Å; E412-R440 IonicContact OE1-CZ 2.77Å; E412-R440 IonicContact OE1-NH1 3.07Å; E412-R440 PolarHBondContact OE1-NH1 2.85Å; E412-R440 IonicContact OE1-NH2 2.63Å; E412-R440 PolarHBondContact OE1-NH2 3.41Å; E412-R440 IonicContact OE2-CZ 3.52Å; E412-R440 IonicContact OE2-NH2 3.54Å; E412-R440 PolarHBondContact OE2-NH2 3.46Å; G436-R440 WeakPolarHBondContact O-CG 3.47Å; G436-R440 PolarHBondContact O-N 2.9Å; D437-R440 PolarHBondContact O-N 2.98Å; D437-R440 IonicContact OD1-CZ 2.66Å; D437-R440 IonicContact OD1-NE 3.96Å; D437-R440 IonicContact OD1-NH2 3.32Å; D437-R440 PolarHBondContact OD1-NH2 3.28Å; R440-R443 PolarHBondContact O-N 3.02Å; R440-C444 PolarHBondContact O-N 2.99Å; R440-C444 PolarHBondContact O-SG 2.79Å; R440-C444 VanDerWaalsContact O-SG 3.33Å
441	L	94.6	Very high	91.8	Very high	40 Å²	40	78.1 Å²	78.1	21%	0.209	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-48.1	177.1	-70.3	172.2	0	0	0	111.6	V406 I409 L433 D437 V438 F439 R443 C444 I445	V406-L441 HydrophobicContact CG2-CD2 3.92Å; I409-L441 HydrophobicContact CD1-CD1 4.23Å; I409-L441 HydrophobicContact CD1-CD2 3.78Å; I409-L441 HydrophobicContact CD1-CG 3.64Å; L433-L441 HydrophobicContact CD1-CD1 4.29Å; D437-L441 WeakPolarHBondContact O-CG 3.41Å; D437-L441 PolarHBondContact O-N 3.14Å; V438-L441 PolarHBondContact O-N 3.49Å; F439-L441 VanDerWaalsContact C-N 3.34Å; F439-L441 PolarHBondContact O-N 3.38Å; L441-R443 VanDerWaalsContact C-N 3.29Å; L441-R443 PolarHBondContact O-N 2.77Å; L441-C444 PolarHBondContact O-N 3.28Å; L441-C444 VanDerWaalsContact O-N 3.1Å; L441-I445 VanDerWaalsContact O-CG1 3.3Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.44Å
442	K	94.9	Very high	91.9	Very high	108 Å²	108	80.3 Å²	80.3	47%	0.47	40%	0.395	S	S	.	.	H	α-helix	trans	-56.5	-42.6	177.6	-79.9	-178.4	177.4	-177.6	0	112.1	V438 F439 C444 I445 Y446	V438-K442 HydrophobicContact CG1-CD 4.23Å; V438-K442 HydrophobicContact CG1-CG 4.45Å; V438-K442 WeakPolarHBondContact O-CB 3.35Å; V438-K442 WeakPolarHBondContact O-CG 3.39Å; V438-K442 PolarHBondContact O-N 2.83Å; F439-K442 PolarHBondContact O-N 3.34Å; K442-C444 VanDerWaalsContact C-N 3.34Å; K442-C444 PolarHBondContact O-N 3.34Å; K442-I445 PolarHBondContact O-N 2.83Å; K442-Y446 HydrophobicContact CB-CE2 4.14Å; K442-Y446 WeakPolarHBondContact O-CD2 3.48Å; K442-Y446 PolarHBondContact O-N 3.13Å
443	R	93.7	Very high	92	Very high	177 Å²	177	81.9 Å²	81.9	67%	0.668	40%	0.404	S	S	*	.	H	α-helix	trans	-60.2	-43.2	176.8	-176.2	176.5	172.6	167.6	-1.9	112	F439 R440 L441 Y446 A447	F439-R443 PolarHBondContact O-N 2.95Å; R440-R443 PolarHBondContact O-N 3.02Å; L441-R443 VanDerWaalsContact C-N 3.29Å; L441-R443 PolarHBondContact O-N 2.77Å; R443-Y446 PolarHBondContact O-N 2.76Å; R443-A447 PolarHBondContact O-N 3.19Å
444	C	92.4	Very high	92	Very high	12 Å²	12	79 Å²	79	8%	0.081	39%	0.389	C	S	.	.	H	α-helix	trans	-68.4	-39.7	177.2	-60.4	0	0	0	0	111.8	L402 T405 R440 L441 K442 Y446 A447 T448	L402-C444 HydrophobicContact CB-CB 4.29Å; L402-C444 HydrophobicContact CD1-CB 3.47Å; L402-C444 VanDerWaalsContact CD1-CB 3.47Å; L402-C444 HydrophobicContact CG-CB 4.44Å; T405-C444 PolarHBondContact OG1-SG 3.35Å; R440-C444 PolarHBondContact O-N 2.99Å; R440-C444 PolarHBondContact O-SG 2.79Å; R440-C444 VanDerWaalsContact O-SG 3.33Å; L441-C444 PolarHBondContact O-N 3.28Å; L441-C444 VanDerWaalsContact O-N 3.1Å; K442-C444 VanDerWaalsContact C-N 3.34Å; K442-C444 PolarHBondContact O-N 3.34Å; C444-Y446 PolarHBondContact O-N 3.25Å; C444-A447 WeakPolarHBondContact O-CB 3.29Å; C444-A447 PolarHBondContact O-N 3.12Å; C444-A447 VanDerWaalsContact O-N 3.15Å; C444-T448 PolarHBondContact O-N 3.37Å
445	I	91.3	Very high	92.1	Very high	85 Å²	85	78 Å²	78	44%	0.436	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-40	176.1	-66.9	164.3	0	0	0	111.3	L441 K442 A447 T448	L441-I445 VanDerWaalsContact O-CG1 3.3Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.44Å; K442-I445 PolarHBondContact O-N 2.83Å; I445-A447 VanDerWaalsContact C-N 3.25Å; I445-A447 PolarHBondContact O-N 3.08Å; I445-T448 PolarHBondContact O-N 3.42Å; I445-T448 VanDerWaalsContact O-N 3.17Å; I445-T448 PolarHBondContact O-OG1 3.35Å
446	Y	91.6	Very high	92.3	Very high	145 Å²	145	71.6 Å²	71.6	57%	0.569	35%	0.354	S	S	*	.	H	α-helix	trans	-65.3	-31.5	175.4	-65.4	-41.9	0	0	0	112.4	K442 R443 C444 T448 Q449	K442-Y446 HydrophobicContact CB-CE2 4.14Å; K442-Y446 WeakPolarHBondContact O-CD2 3.48Å; K442-Y446 PolarHBondContact O-N 3.13Å; R443-Y446 PolarHBondContact O-N 2.76Å; C444-Y446 PolarHBondContact O-N 3.25Å; Y446-T448 VanDerWaalsContact C-N 3.29Å; Y446-T448 PolarHBondContact O-N 3.22Å; Y446-Q449 PolarHBondContact O-N 3.25Å
447	A	89.1	Confident	92.5	Very high	43 Å²	43	70.1 Å²	70.1	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-70.4	-22.5	175	0	0	0	0	0	113.4	I398 R443 C444 I445 Q449	I398-A447 HydrophobicContact CG2-CB 4.45Å; R443-A447 PolarHBondContact O-N 3.19Å; C444-A447 WeakPolarHBondContact O-CB 3.29Å; C444-A447 PolarHBondContact O-N 3.12Å; C444-A447 VanDerWaalsContact O-N 3.15Å; I445-A447 VanDerWaalsContact C-N 3.25Å; I445-A447 PolarHBondContact O-N 3.08Å; A447-Q449 VanDerWaalsContact C-N 3.33Å
448	T	87.2	Confident	92.5	Very high	25 Å²	25	70.1 Å²	70.1	15%	0.153	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.3	177	62.8	0	0	0	0	113.6	Y326 G327 I398 L402 C444 I445 Y446	Y326-T448 VanDerWaalsContact CD2-O 3.27Å; Y326-T448 WeakPolarHBondContact CD2-O 3.39Å; G327-T448 WeakPolarHBondContact CA-O 3.43Å; I398-T448 HydrophobicContact CG2-CG2 3.67Å; L402-T448 HydrophobicContact CD2-CG2 4.08Å; C444-T448 PolarHBondContact O-N 3.37Å; I445-T448 PolarHBondContact O-N 3.42Å; I445-T448 VanDerWaalsContact O-N 3.17Å; I445-T448 PolarHBondContact O-OG1 3.35Å; Y446-T448 VanDerWaalsContact C-N 3.29Å; Y446-T448 PolarHBondContact O-N 3.22Å
449	Q	86.2	Confident	92.6	Very high	132 Å²	132	68.8 Å²	68.8	62%	0.617	33%	0.328	S	S	*	.			trans	-72.9	132	175.9	-65	-175.7	-9.6	0	0	110.5	Y446 A447	Y446-Q449 PolarHBondContact O-N 3.25Å; A447-Q449 VanDerWaalsContact C-N 3.33Å
450	R	86.2	Confident	92.6	Very high	36 Å²	36	65.5 Å²	65.5	14%	0.136	32%	0.317	C	S	.	.			trans	-146.4	155.7	174.4	71.9	176.5	-143.2	-150.4	-19.1	111.2	H324 Y326 H328 N452	H324-R450 PolarHBondContact O-NH1 3.41Å; H324-R450 VanDerWaalsContact O-NH1 3.15Å; Y326-R450 HydrophobicContact CE2-CB 3.87Å; Y326-R450 HydrophobicContact CE2-CG 4Å; Y326-R450 VanDerWaalsContact O-CD 3.29Å; Y326-R450 WeakPolarHBondContact O-CD 3.27Å; Y326-R450 PolarHBondContact O-NE 2.68Å; Y326-R450 PolarHBondContact O-NH1 3.38Å; H328-R450 PolarHBondContact CD2-NE 2.93Å; H328-R450 VanDerWaalsContact CD2-NE 3.29Å; H328-R450 PolarHBondContact CD2-NH2 2.91Å; R450-N452 PolarHBondContact NE-O 3.28Å; R450-N452 PolarHBondContact NH2-O 3.49Å
451	N	84.1	Confident	92.7	Very high	163 Å²	163	62.5 Å²	62.5	87%	0.872	31%	0.308	S	S	*	.	S	Bend	trans	-101.4	-22.1	-179.1	-63.1	-15.4	0	0	0	113.2
452	N	91.2	Very high	92.7	Very high	111 Å²	111	64.2 Å²	64.2	59%	0.594	32%	0.32	S	S	*	.	S	Bend	trans	-87.1	150.5	-176.6	-61.8	-9.4	0	0	0	111.2	H328 R450	H328-N452 PolarHBondContact NE2-O 2.94Å; R450-N452 PolarHBondContact NE-O 3.28Å; R450-N452 PolarHBondContact NH2-O 3.49Å
453	L	94.3	Very high	92.7	Very high	70 Å²	70	65 Å²	65	37%	0.366	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.3	159.9	173.8	-68.5	-179.7	0	0	0	112.3	F479	L453-F479 HydrophobicContact CD1-CB 4.14Å
454	P	95.4	Very high	92.7	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.013	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.8	128.9	178.4	-13.1	22.6	0	0	0	109.5	F325 H328 I456 N480	F325-P454 HydrophobicContact CD1-CB 3.71Å; F325-P454 HydrophobicContact CD1-CG 3.39Å; F325-P454 HydrophobicContact CE1-CB 3.68Å; F325-P454 HydrophobicContact CE1-CG 3.59Å; F325-P454 HydrophobicContact CG-CB 4.29Å; F325-P454 HydrophobicContact CG-CG 4.27Å; F325-P454 HydrophobicContact CZ-CB 4.25Å; H328-P454 HydrophobicContact CB-CG 3.98Å; P454-I456 PolarHBondContact O-N 3.39Å; P454-N480 HydrophobicContact CB-CB 3.92Å; P454-N480 VanDerWaalsContact CD-O 3.29Å; P454-N480 WeakPolarHBondContact CD-O 3.32Å; P454-N480 HydrophobicContact CG-CB 3.81Å; P454-N480 PolarHBondContact O-ND2 3.16Å; P454-N480 VanDerWaalsContact O-ND2 3.14Å
455	P	95.9	Very high	92.8	Very high	29 Å²	29	64.6 Å²	64.6	19%	0.188	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63.4	136.9	-174.4	25.9	-32.7	0	0	0	110.2	H324 C457	H324-P455 PolarHBondContact CE1-O 2.77Å; H324-P455 PolarHBondContact NE2-O 2.92Å; P455-C457 PolarHBondContact O-N 3.36Å
456	I	97.3	Very high	93.1	Very high	23 Å²	23	65.3 Å²	65.3	12%	0.118	34%	0.339	C	S	.	.	S	Bend	trans	-75.9	-11.1	177	63	172.5	0	0	0	112.5	P454 L470 L473 L478 V488 F490	P454-I456 PolarHBondContact O-N 3.39Å; I456-L470 HydrophobicContact CD1-CD2 3.86Å; I456-L470 HydrophobicContact CG1-CD2 4.05Å; I456-L473 HydrophobicContact CB-CD1 4.39Å; I456-L473 HydrophobicContact CD1-CB 4.07Å; I456-L473 HydrophobicContact CD1-CD1 4.15Å; I456-L478 WeakPolarHBondContact CG2-O 3.4Å; I456-V488 HydrophobicContact CB-CG2 4.15Å; I456-V488 HydrophobicContact CG2-CG2 3.83Å; I456-F490 WeakPolarHBondContact O-CB 3.4Å; I456-F490 PolarHBondContact O-N 3.36Å
457	C	97.3	Very high	93.4	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.074	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-132.5	143.4	179.3	-171.2	0	0	0	0	110.4	N389 P455 H459 L470 F490	N389-C457 PolarHBondContact ND2-O 3.23Å; P455-C457 PolarHBondContact O-N 3.36Å; C457-H459 PolarHBondContact SG-O 3.33Å; C457-L470 HydrophobicContact CB-CD2 3.99Å; C457-F490 WeakPolarHBondContact CA-O 3.37Å; C457-F490 HydrophobicContact CB-CB 4.39Å; C457-F490 HydrophobicContact CB-CD1 4.42Å
458	T	96.3	Very high	93.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-88.9	-11.4	178.5	54.7	0	0	0	0	114.2	F320 N389 I489 F490 H491 L501	F320-T458 HydrophobicContact CZ-CG2 4.28Å; N389-T458 PolarHBondContact N-O 3.26Å; N389-T458 PolarHBondContact OD1-O 2.99Å; T458-I489 HydrophobicContact CG2-CG2 3.84Å; T458-F490 PolarHBondContact N-O 2.72Å; T458-F490 PolarHBondContact OG1-O 3Å; T458-H491 PolarHBondContact OG1-ND1 2.99Å; T458-L501 HydrophobicContact CG2-CD1 4.45Å
459	H	96.1	Very high	94.2	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.046	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	163.7	-174.7	-64.9	75.5	0	0	0	112.7	T385 F388 C457 V461 H491 P492 E493	T385-H459 HydrophobicContact CG2-CB 3.8Å; F388-H459 AromaticContact CD1-CD2 3.68Å; F388-H459 AromaticContact CD1-CE1 3.65Å; F388-H459 AromaticContact CD1-NE2 3.26Å; F388-H459 VanDerWaalsContact CD1-NE2 3.26Å; F388-H459 WeakPolarHBondContact CD1-NE2 3.48Å; F388-H459 AromaticContact CE1-CD2 3.96Å; F388-H459 AromaticContact CE1-CE1 3.55Å; F388-H459 AromaticContact CE1-NE2 3.1Å; F388-H459 WeakPolarHBondContact CE1-NE2 3.35Å; F388-H459 AromaticContact CZ-NE2 3.95Å; C457-H459 PolarHBondContact SG-O 3.33Å; H459-V461 PolarHBondContact O-N 2.59Å; H459-H491 AromaticContact CE1-CE1 3.89Å; H459-P492 HydrophobicContact CB-CG 3.59Å; H459-P492 WeakPolarHBondContact ND1-CD 3.49Å; H459-E493 IonicContact CE1-OE2 3.75Å; H459-E493 IonicContact NE2-OE2 2.65Å; H459-E493 PolarHBondContact NE2-OE2 3.13Å; H459-E493 VanDerWaalsContact NE2-OE2 3.17Å
460	N	96.2	Very high	94.8	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	97.6	169	-50.5	-56.3	0	0	0	109.1	T385 N386 S387 F388	T385-N460 CarbonylContact C-O 3.12Å; T385-N460 VanDerWaalsContact CA-O 3.3Å; T385-N460 WeakPolarHBondContact CA-O 3.29Å; N386-N460 HydrophobicContact CB-CB 4.33Å; N386-N460 PolarHBondContact N-O 3.42Å; N386-N460 PolarHBondContact O-ND2 2.9Å; S387-N460 PolarHBondContact O-N 3.4Å; F388-N460 PolarHBondContact O-ND2 3.29Å
461	V	95.8	Very high	95.4	Very high	18 Å²	18	54.2 Å²	54.2	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.7	176.7	179.9	0	0	0	0	109.5	T385 H459 Q463 D464 D467 L470 F490 P492	T385-V461 HydrophobicContact CG2-CG2 4.36Å; H459-V461 PolarHBondContact O-N 2.59Å; V461-Q463 VanDerWaalsContact C-N 3.33Å; V461-Q463 PolarHBondContact O-N 3.05Å; V461-D464 HydrophobicContact CB-CB 4.39Å; V461-D464 PolarHBondContact O-N 3.14Å; V461-D467 HydrophobicContact CG1-CB 4.1Å; V461-L470 HydrophobicContact CB-CD1 4.14Å; V461-L470 HydrophobicContact CG2-CD1 3.91Å; V461-F490 HydrophobicContact CG2-CE1 4.22Å; V461-P492 HydrophobicContact CG2-CG 4.26Å
462	V	94.9	Very high	96	Very high	77 Å²	77	47.6 Å²	47.6	47%	0.467	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-42.8	-172.4	176.7	0	0	0	0	112	H384	H384-V462 HydrophobicContact CB-CG2 4.21Å; H384-V462 WeakPolarHBondContact O-CG2 3.36Å; H384-V462 PolarHBondContact O-N 3.01Å
463	Q	93.3	Very high	96.4	Very high	123 Å²	123	42.3 Å²	42.3	58%	0.575	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	56.4	179.4	-61.5	-174.6	-56.7	0	0	110.8	V461 N465 I466 D467	V461-Q463 VanDerWaalsContact C-N 3.33Å; V461-Q463 PolarHBondContact O-N 3.05Å; Q463-N465 PolarHBondContact O-N 2.92Å; Q463-N465 VanDerWaalsContact O-N 3.09Å; Q463-I466 HydrophobicContact CB-CD1 4Å; Q463-I466 HydrophobicContact CB-CG1 3.71Å; Q463-I466 WeakPolarHBondContact O-CG1 3.29Å; Q463-I466 PolarHBondContact O-N 2.87Å; Q463-I466 VanDerWaalsContact O-N 3.13Å; Q463-D467 PolarHBondContact O-N 3Å; Q463-D467 VanDerWaalsContact O-N 3.1Å
464	D	95	Very high	96.6	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-36.4	-177.8	169.5	-69.5	0	0	0	114.4	V461 I466 D467 L470 R474	V461-D464 HydrophobicContact CB-CB 4.39Å; V461-D464 PolarHBondContact O-N 3.14Å; D464-I466 VanDerWaalsContact C-N 3.29Å; D464-I466 PolarHBondContact O-N 2.98Å; D464-D467 PolarHBondContact O-N 3.08Å; D464-L470 HydrophobicContact CB-CD1 4.32Å; D464-L470 WeakPolarHBondContact OD2-CD1 3.42Å; D464-R474 PolarHBondContact O-NH1 3.08Å; D464-R474 VanDerWaalsContact O-NH1 3.1Å; D464-R474 IonicContact OD1-CZ 3.15Å; D464-R474 IonicContact OD1-NH1 2.84Å; D464-R474 PolarHBondContact OD1-NH1 3.21Å; D464-R474 IonicContact OD1-NH2 2.66Å; D464-R474 PolarHBondContact OD1-NH2 3.16Å; D464-R474 IonicContact OD2-CZ 3.95Å; D464-R474 IonicContact OD2-NH2 2.91Å; D464-R474 PolarHBondContact OD2-NH2 3.26Å
465	N	95.1	Very high	96.7	Very high	121 Å²	121	49.7 Å²	49.7	65%	0.647	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.2	-174.9	66.1	-52.7	0	0	0	114.4	Q463 C471	Q463-N465 PolarHBondContact O-N 2.92Å; Q463-N465 VanDerWaalsContact O-N 3.09Å; N465-C471 PolarHBondContact O-SG 3.26Å
466	I	96.3	Very high	96.8	Very high	99 Å²	99	49.3 Å²	49.3	51%	0.508	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	1.2	176.2	60.7	169.7	0	0	0	112.3	Q463 D464 L468	Q463-I466 HydrophobicContact CB-CD1 4Å; Q463-I466 HydrophobicContact CB-CG1 3.71Å; Q463-I466 WeakPolarHBondContact O-CG1 3.29Å; Q463-I466 PolarHBondContact O-N 2.87Å; Q463-I466 VanDerWaalsContact O-N 3.13Å; D464-I466 VanDerWaalsContact C-N 3.29Å; D464-I466 PolarHBondContact O-N 2.98Å; I466-L468 PolarHBondContact O-N 3.43Å
467	D	97.3	Very high	96.9	Very high	15 Å²	15	55 Å²	55	8%	0.08	28%	0.275	C	S	.	.			trans	-63.5	122.7	174.2	178	-89.6	0	0	0	109.9	Y345 V461 Q463 D464 V469 L470 C471	Y345-D467 WeakPolarHBondContact CE1-OD2 3.43Å; Y345-D467 PolarHBondContact OH-OD1 3.27Å; Y345-D467 VanDerWaalsContact OH-OD1 3.11Å; Y345-D467 PolarHBondContact OH-OD2 2.96Å; V461-D467 HydrophobicContact CG1-CB 4.1Å; Q463-D467 PolarHBondContact O-N 3Å; Q463-D467 VanDerWaalsContact O-N 3.1Å; D464-D467 PolarHBondContact O-N 3.08Å; D467-V469 PolarHBondContact O-N 2.91Å; D467-V469 PolarHBondContact OD1-N 2.85Å; D467-L470 HydrophobicContact CB-CB 4.17Å; D467-L470 HydrophobicContact CB-CD1 4Å; D467-L470 HydrophobicContact CB-CG 4.31Å; D467-L470 PolarHBondContact O-N 3.4Å; D467-L470 WeakPolarHBondContact OD1-CB 3.48Å; D467-L470 VanDerWaalsContact OD1-CG 3.28Å; D467-L470 WeakPolarHBondContact OD1-CG 3.18Å; D467-L470 PolarHBondContact OD1-N 3.2Å; D467-C471 VanDerWaalsContact O-CB 3.28Å; D467-C471 WeakPolarHBondContact O-CB 3.05Å; D467-C471 PolarHBondContact O-N 2.86Å; D467-C471 PolarHBondContact O-SG 3.07Å
468	L	96.8	Very high	96.9	Very high	90 Å²	90	54.5 Å²	54.5	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-37.6	-169.7	-65.5	174.4	0	0	0	112.5	F347 I466 N472	F347-L468 HydrophobicContact CB-CB 4.15Å; F347-L468 HydrophobicContact CB-CD1 3.63Å; F347-L468 HydrophobicContact CD1-CB 3.7Å; F347-L468 HydrophobicContact CD1-CD1 3.81Å; F347-L468 HydrophobicContact CD1-CG 4.27Å; F347-L468 HydrophobicContact CD2-CB 3.8Å; F347-L468 HydrophobicContact CE1-CB 3.99Å; F347-L468 HydrophobicContact CE2-CB 4.12Å; F347-L468 HydrophobicContact CG-CB 3.6Å; F347-L468 HydrophobicContact CG-CD1 3.85Å; F347-L468 HydrophobicContact CG-CG 4.37Å; F347-L468 HydrophobicContact CZ-CB 4.22Å; I466-L468 PolarHBondContact O-N 3.43Å; L468-N472 WeakPolarHBondContact O-CB 3.18Å; L468-N472 PolarHBondContact O-N 3.43Å; L468-N472 VanDerWaalsContact O-N 3.1Å; L468-N472 PolarHBondContact O-ND2 2.84Å
469	V	98	Very high	97	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-52.9	176.4	168.4	0	0	0	0	110	Y345 F347 I356 L379 F381 D467 C471 N472 L473 F490	Y345-V469 HydrophobicContact CE2-CG2 3.8Å; Y345-V469 WeakPolarHBondContact OH-CG2 3.34Å; Y345-V469 PolarHBondContact OH-N 2.99Å; F347-V469 HydrophobicContact CD2-CG2 3.89Å; F347-V469 HydrophobicContact CE2-CG2 3.96Å; I356-V469 HydrophobicContact CD1-CG1 4.37Å; L379-V469 HydrophobicContact CD2-CG1 3.95Å; F381-V469 HydrophobicContact CD2-CG2 4.19Å; D467-V469 PolarHBondContact O-N 2.91Å; D467-V469 PolarHBondContact OD1-N 2.85Å; V469-C471 PolarHBondContact O-N 3.1Å; V469-N472 PolarHBondContact O-N 2.95Å; V469-L473 HydrophobicContact CG1-CD1 3.96Å; V469-L473 HydrophobicContact CG1-CG 4.35Å; V469-L473 WeakPolarHBondContact O-CG 3.27Å; V469-L473 PolarHBondContact O-N 3.39Å; V469-F490 HydrophobicContact CB-CD1 4.32Å; V469-F490 HydrophobicContact CB-CE1 4.1Å; V469-F490 HydrophobicContact CB-CE2 4.4Å; V469-F490 HydrophobicContact CB-CZ 4.14Å; V469-F490 HydrophobicContact CG1-CB 4.16Å; V469-F490 HydrophobicContact CG1-CD1 3.84Å; V469-F490 HydrophobicContact CG1-CD2 3.9Å; V469-F490 HydrophobicContact CG1-CE1 4.12Å; V469-F490 HydrophobicContact CG1-CE2 4.22Å; V469-F490 HydrophobicContact CG1-CG 3.71Å; V469-F490 HydrophobicContact CG1-CZ 4.31Å; V469-F490 HydrophobicContact CG2-CE2 4.32Å; V469-F490 HydrophobicContact CG2-CZ 4.31Å
470	L	98.1	Very high	97	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-40.4	-178.1	-67.8	172.7	0	0	0	112.5	I456 C457 V461 D464 D467 N472 L473 R474 F490	I456-L470 HydrophobicContact CD1-CD2 3.86Å; I456-L470 HydrophobicContact CG1-CD2 4.05Å; C457-L470 HydrophobicContact CB-CD2 3.99Å; V461-L470 HydrophobicContact CB-CD1 4.14Å; V461-L470 HydrophobicContact CG2-CD1 3.91Å; D464-L470 HydrophobicContact CB-CD1 4.32Å; D464-L470 WeakPolarHBondContact OD2-CD1 3.42Å; D467-L470 HydrophobicContact CB-CB 4.17Å; D467-L470 HydrophobicContact CB-CD1 4Å; D467-L470 HydrophobicContact CB-CG 4.31Å; D467-L470 PolarHBondContact O-N 3.4Å; D467-L470 WeakPolarHBondContact OD1-CB 3.48Å; D467-L470 VanDerWaalsContact OD1-CG 3.28Å; D467-L470 WeakPolarHBondContact OD1-CG 3.18Å; D467-L470 PolarHBondContact OD1-N 3.2Å; L470-N472 VanDerWaalsContact C-N 3.34Å; L470-N472 PolarHBondContact O-N 2.7Å; L470-L473 PolarHBondContact O-N 3.32Å; L470-R474 WeakPolarHBondContact O-CB 3.23Å; L470-R474 WeakPolarHBondContact O-CD 3.28Å; L470-R474 WeakPolarHBondContact O-CG 3.32Å; L470-R474 PolarHBondContact O-N 3.39Å; L470-F490 HydrophobicContact CD1-CD1 4.5Å; L470-F490 HydrophobicContact CD2-CD1 3.97Å; L470-F490 HydrophobicContact CG-CD1 3.98Å; L470-F490 HydrophobicContact CG-CE1 4.25Å
471	C	98.1	Very high	97	Very high	43 Å²	43	57.6 Å²	57.6	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-42.7	174.8	-70.7	0	0	0	0	111.8	N465 D467 V469 R474 R475	N465-C471 PolarHBondContact O-SG 3.26Å; D467-C471 VanDerWaalsContact O-CB 3.28Å; D467-C471 WeakPolarHBondContact O-CB 3.05Å; D467-C471 PolarHBondContact O-N 2.86Å; D467-C471 PolarHBondContact O-SG 3.07Å; V469-C471 PolarHBondContact O-N 3.1Å; C471-R474 PolarHBondContact O-N 3.15Å; C471-R475 WeakPolarHBondContact O-CB 3.48Å; C471-R475 PolarHBondContact O-N 2.87Å
472	N	98.2	Very high	97	Very high	24 Å²	24	61.8 Å²	61.8	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-73.1	-38.9	179.4	-82.9	-88.8	0	0	0	112.7	F347 I356 L468 V469 L470 R474 R475 C476	F347-N472 HydrophobicContact CZ-CB 4.01Å; F347-N472 VanDerWaalsContact CZ-ND2 3.27Å; F347-N472 WeakPolarHBondContact CZ-ND2 3.11Å; I356-N472 HydrophobicContact CD1-CB 3.86Å; I356-N472 HydrophobicContact CG2-CB 4.12Å; L468-N472 WeakPolarHBondContact O-CB 3.18Å; L468-N472 PolarHBondContact O-N 3.43Å; L468-N472 VanDerWaalsContact O-N 3.1Å; L468-N472 PolarHBondContact O-ND2 2.84Å; V469-N472 PolarHBondContact O-N 2.95Å; L470-N472 VanDerWaalsContact C-N 3.34Å; L470-N472 PolarHBondContact O-N 2.7Å; N472-R474 VanDerWaalsContact C-N 3.27Å; N472-R474 PolarHBondContact O-N 2.96Å; N472-R475 PolarHBondContact O-N 3.35Å; N472-R475 PolarHBondContact OD1-NE 3.21Å; N472-R475 PolarHBondContact OD1-NH2 3.21Å; N472-C476 WeakPolarHBondContact O-CB 3.47Å; N472-C476 PolarHBondContact O-N 3.19Å; N472-C476 PolarHBondContact O-SG 2.76Å
473	L	98.5	Very high	96.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-41.2	172.5	-70.3	178.1	0	0	0	111.5	I356 I456 V469 L470 Q477 L478 V488	I356-L473 HydrophobicContact CD1-CD2 4.21Å; I356-L473 HydrophobicContact CD1-CG 4.26Å; I356-L473 HydrophobicContact CG1-CD2 4.02Å; I356-L473 HydrophobicContact CG2-CD2 3.98Å; I456-L473 HydrophobicContact CB-CD1 4.39Å; I456-L473 HydrophobicContact CD1-CB 4.07Å; I456-L473 HydrophobicContact CD1-CD1 4.15Å; V469-L473 HydrophobicContact CG1-CD1 3.96Å; V469-L473 HydrophobicContact CG1-CG 4.35Å; V469-L473 WeakPolarHBondContact O-CG 3.27Å; V469-L473 PolarHBondContact O-N 3.39Å; L470-L473 PolarHBondContact O-N 3.32Å; L473-Q477 PolarHBondContact O-N 3.1Å; L473-Q477 VanDerWaalsContact O-N 3.14Å; L473-L478 HydrophobicContact CD2-CB 4.34Å; L473-L478 HydrophobicContact CD2-CD1 4.23Å; L473-L478 PolarHBondContact O-N 3.2Å; L473-V488 HydrophobicContact CD1-CG2 4.26Å; L473-V488 HydrophobicContact CD2-CB 4.06Å; L473-V488 HydrophobicContact CD2-CG1 3.94Å; L473-V488 HydrophobicContact CD2-CG2 4Å
474	R	98.2	Very high	97.1	Very high	87 Å²	87	59.4 Å²	59.4	33%	0.328	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-46.2	174.6	-71.4	164.9	-174.2	149.4	6.1	112.3	D464 L470 C471 N472 C476 Q477 F479	D464-R474 PolarHBondContact O-NH1 3.08Å; D464-R474 VanDerWaalsContact O-NH1 3.1Å; D464-R474 IonicContact OD1-CZ 3.15Å; D464-R474 IonicContact OD1-NH1 2.84Å; D464-R474 PolarHBondContact OD1-NH1 3.21Å; D464-R474 IonicContact OD1-NH2 2.66Å; D464-R474 PolarHBondContact OD1-NH2 3.16Å; D464-R474 IonicContact OD2-CZ 3.95Å; D464-R474 IonicContact OD2-NH2 2.91Å; D464-R474 PolarHBondContact OD2-NH2 3.26Å; L470-R474 WeakPolarHBondContact O-CB 3.23Å; L470-R474 WeakPolarHBondContact O-CD 3.28Å; L470-R474 WeakPolarHBondContact O-CG 3.32Å; L470-R474 PolarHBondContact O-N 3.39Å; C471-R474 PolarHBondContact O-N 3.15Å; N472-R474 VanDerWaalsContact C-N 3.27Å; N472-R474 PolarHBondContact O-N 2.96Å; R474-C476 VanDerWaalsContact C-N 3.3Å; R474-C476 PolarHBondContact O-N 2.96Å; R474-Q477 PolarHBondContact O-N 3.37Å; R474-F479 HydrophobicContact CB-CE1 4.25Å; R474-F479 HydrophobicContact CB-CZ 4.38Å; R474-F479 HydrophobicContact CG-CE1 3.92Å; R474-F479 HydrophobicContact CG-CZ 4.48Å
475	R	98.1	Very high	97.3	Very high	139 Å²	139	58.9 Å²	58.9	53%	0.525	28%	0.276	S	S	.	.	H	α-helix	trans	-57.2	-43.9	177.6	-177.9	-178.4	63.7	75.7	0.3	111.4	E357 C471 N472 Q477	E357-R475 IonicContact OE2-CZ 3.25Å; E357-R475 VanDerWaalsContact OE2-CZ 3.25Å; E357-R475 IonicContact OE2-NH1 2.79Å; E357-R475 PolarHBondContact OE2-NH1 3.3Å; E357-R475 IonicContact OE2-NH2 2.84Å; E357-R475 PolarHBondContact OE2-NH2 3.01Å; C471-R475 WeakPolarHBondContact O-CB 3.48Å; C471-R475 PolarHBondContact O-N 2.87Å; N472-R475 PolarHBondContact O-N 3.35Å; N472-R475 PolarHBondContact OD1-NE 3.21Å; N472-R475 PolarHBondContact OD1-NH2 3.21Å; R475-Q477 VanDerWaalsContact C-N 3.25Å; R475-Q477 PolarHBondContact O-N 3.17Å
476	C	98.3	Very high	97.4	Very high	21 Å²	21	53.1 Å²	53.1	14%	0.142	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.5	178.4	-65.3	0	0	0	0	114	I356 E357 A360 N472 R474 L478	I356-C476 HydrophobicContact CG2-CB 4.2Å; E357-C476 PolarHBondContact OE2-SG 3.46Å; A360-C476 HydrophobicContact CB-CB 3.85Å; N472-C476 WeakPolarHBondContact O-CB 3.47Å; N472-C476 PolarHBondContact O-N 3.19Å; N472-C476 PolarHBondContact O-SG 2.76Å; R474-C476 VanDerWaalsContact C-N 3.3Å; R474-C476 PolarHBondContact O-N 2.96Å; C476-L478 VanDerWaalsContact C-N 3.27Å; C476-L478 HydrophobicContact CB-CD1 4.38Å; C476-L478 HydrophobicContact CB-CG 4.35Å; C476-L478 PolarHBondContact O-N 3.16Å
477	Q	98.1	Very high	97.5	Very high	142 Å²	142	48.6 Å²	48.6	66%	0.664	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	34.7	179.3	-56.2	-175.8	-29.4	0	0	114.7	L473 R474 R475 F479	L473-Q477 PolarHBondContact O-N 3.1Å; L473-Q477 VanDerWaalsContact O-N 3.14Å; R474-Q477 PolarHBondContact O-N 3.37Å; R475-Q477 VanDerWaalsContact C-N 3.25Å; R475-Q477 PolarHBondContact O-N 3.17Å; Q477-F479 HydrophobicContact CB-CD2 4.24Å; Q477-F479 HydrophobicContact CB-CE2 3.85Å; Q477-F479 HydrophobicContact CG-CE2 4.12Å; Q477-F479 PolarHBondContact O-N 3.03Å
478	L	98.3	Very high	97.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	22%	0.218	C	C	.	.			trans	-88.2	81.6	175.4	-68.4	172.9	0	0	0	109.8	I356 L359 A360 N363 I456 L473 C476 V488	I356-L478 HydrophobicContact CG2-CD1 4.45Å; L359-L478 HydrophobicContact CB-CD1 4.1Å; A360-L478 HydrophobicContact CB-CD1 4.36Å; N363-L478 HydrophobicContact CB-CD2 4.3Å; I456-L478 WeakPolarHBondContact CG2-O 3.4Å; L473-L478 HydrophobicContact CD2-CB 4.34Å; L473-L478 HydrophobicContact CD2-CD1 4.23Å; L473-L478 PolarHBondContact O-N 3.2Å; C476-L478 VanDerWaalsContact C-N 3.27Å; C476-L478 HydrophobicContact CB-CD1 4.38Å; C476-L478 HydrophobicContact CB-CG 4.35Å; C476-L478 PolarHBondContact O-N 3.16Å; L478-V488 HydrophobicContact CB-CG1 4.16Å; L478-V488 HydrophobicContact CB-CG2 4.06Å; L478-V488 HydrophobicContact CD1-CG1 3.96Å; L478-V488 WeakPolarHBondContact O-CG2 3.34Å
479	F	97.6	Very high	97.7	Very high	86 Å²	86	43.6 Å²	43.6	38%	0.377	20%	0.195	S	C	.	.			trans	-103	11.3	-173.6	-61.6	-58.7	0	0	0	114.7	L453 R474 Q477 D481	L453-F479 HydrophobicContact CD1-CB 4.14Å; R474-F479 HydrophobicContact CB-CE1 4.25Å; R474-F479 HydrophobicContact CB-CZ 4.38Å; R474-F479 HydrophobicContact CG-CE1 3.92Å; R474-F479 HydrophobicContact CG-CZ 4.48Å; Q477-F479 HydrophobicContact CB-CD2 4.24Å; Q477-F479 HydrophobicContact CB-CE2 3.85Å; Q477-F479 HydrophobicContact CG-CE2 4.12Å; Q477-F479 PolarHBondContact O-N 3.03Å; F479-D481 VanDerWaalsContact C-N 3.27Å; F479-D481 PolarHBondContact O-N 3.37Å
480	N	97.7	Very high	97.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.011	20%	0.195	C	C	.	.			trans	59.3	36.4	-172.7	-62.7	-34.9	0	0	0	113	F325 P454 K487 V488	F325-N480 HydrophobicContact CE1-CB 4.06Å; P454-N480 HydrophobicContact CB-CB 3.92Å; P454-N480 VanDerWaalsContact CD-O 3.29Å; P454-N480 WeakPolarHBondContact CD-O 3.32Å; P454-N480 HydrophobicContact CG-CB 3.81Å; P454-N480 PolarHBondContact O-ND2 3.16Å; P454-N480 VanDerWaalsContact O-ND2 3.14Å; N480-K487 VanDerWaalsContact OD1-CA 3.22Å; N480-K487 WeakPolarHBondContact OD1-CA 3.36Å; N480-K487 WeakPolarHBondContact OD1-CB 3.4Å; N480-V488 PolarHBondContact ND2-O 3.15Å; N480-V488 PolarHBondContact OD1-N 3.09Å; N480-V488 PolarHBondContact OD1-O 3.1Å
481	D	96.1	Very high	97.7	Very high	59 Å²	59	43.7 Å²	43.7	32%	0.316	20%	0.196	S	C	.	.			trans	-61.6	156	175.4	-170.5	-87.3	0	0	0	110.5	F479 H483 D484 K487	F479-D481 VanDerWaalsContact C-N 3.27Å; F479-D481 PolarHBondContact O-N 3.37Å; D481-H483 PolarHBondContact O-N 3.22Å; D481-H483 IonicContact OD1-CG 3.56Å; D481-H483 PolarHBondContact OD1-N 3.17Å; D481-H483 IonicContact OD1-ND1 3.73Å; D481-D484 WeakPolarHBondContact CB-OD2 3.23Å; D481-D484 PolarHBondContact N-OD2 3.25Å; D481-D484 WeakPolarHBondContact O-CB 3.16Å; D481-D484 PolarHBondContact O-N 2.74Å; D481-D484 VanDerWaalsContact O-N 3.09Å; D481-K487 PolarHBondContact O-NZ 2.82Å
482	R	94.2	Very high	97.6	Very high	106 Å²	106	41.7 Å²	41.7	40%	0.4	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-36	176.6	-67.9	-174.8	177	-89.4	-0.2	111.9	G327 D330 D484	G327-R482 PolarHBondContact O-NH2 3.32Å; D330-R482 WeakPolarHBondContact OD2-CB 3.5Å; D330-R482 WeakPolarHBondContact OD2-CD 3.41Å; D330-R482 VanDerWaalsContact OD2-CG 3.3Å; D330-R482 WeakPolarHBondContact OD2-CG 3.34Å; D330-R482 IonicContact OD2-CZ 3.84Å; D330-R482 IonicContact OD2-NH1 2.87Å; D330-R482 PolarHBondContact OD2-NH1 3.19Å; R482-D484 VanDerWaalsContact C-N 3.32Å
483	H	94.6	Very high	97.4	Very high	142 Å²	142	44.1 Å²	44.1	66%	0.657	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.3	-176.3	-57.7	5.8	0	0	0	112.3	K367 D481 R485	K367-H483 WeakPolarHBondContact CE-O 3.48Å; D481-H483 PolarHBondContact O-N 3.22Å; D481-H483 IonicContact OD1-CG 3.56Å; D481-H483 PolarHBondContact OD1-N 3.17Å; D481-H483 IonicContact OD1-ND1 3.73Å; H483-R485 PolarHBondContact O-N 3.14Å
484	D	97.4	Very high	97.1	Very high	9 Å²	9	51 Å²	51	5%	0.048	22%	0.223	C	C	.	.			trans	-65.5	124.7	176.2	-68.8	-30.7	0	0	0	111.1	N363 K367 D481 R482 K487	N363-D484 PolarHBondContact ND2-OD1 3.05Å; N363-D484 WeakPolarHBondContact OD1-CA 3.46Å; K367-D484 WeakPolarHBondContact CE-OD1 3.24Å; K367-D484 IonicContact NZ-OD1 2.68Å; K367-D484 PolarHBondContact NZ-OD1 3.33Å; D481-D484 WeakPolarHBondContact CB-OD2 3.23Å; D481-D484 PolarHBondContact N-OD2 3.25Å; D481-D484 WeakPolarHBondContact O-CB 3.16Å; D481-D484 PolarHBondContact O-N 2.74Å; D481-D484 VanDerWaalsContact O-N 3.09Å; R482-D484 VanDerWaalsContact C-N 3.32Å; D484-K487 HydrophobicContact CB-CD 4.36Å; D484-K487 VanDerWaalsContact O-CE 3.26Å; D484-K487 WeakPolarHBondContact O-CE 3.43Å; D484-K487 PolarHBondContact O-NZ 3.14Å
485	R	97.9	Very high	96.8	Very high	50 Å²	50	47.7 Å²	47.7	19%	0.189	21%	0.212	C	C	.	.	S	Bend	trans	-83.6	-20.3	171.8	-60.8	-50.5	-55.1	178.1	-1.1	111.8	N363 L366 K367 T371 D372 V373 T374 V375 H483	N363-R485 PolarHBondContact OD1-N 2.98Å; L366-R485 HydrophobicContact CB-CB 3.61Å; L366-R485 HydrophobicContact CB-CG 3.96Å; L366-R485 HydrophobicContact CD1-CB 4.03Å; L366-R485 HydrophobicContact CG-CB 4.5Å; K367-R485 HydrophobicContact CG-CG 4Å; T371-R485 PolarHBondContact O-NE 3.39Å; D372-R485 PolarHBondContact O-NH2 2.91Å; V373-R485 PolarHBondContact O-NE 3.12Å; V373-R485 VanDerWaalsContact O-NE 3.1Å; V373-R485 PolarHBondContact O-NH2 3.37Å; T374-R485 WeakPolarHBondContact CA-O 3.28Å; T374-R485 PolarHBondContact OG1-NH2 3.25Å; V375-R485 PolarHBondContact N-O 3.06Å; H483-R485 PolarHBondContact O-N 3.14Å
486	V	98.6	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119	172.3	-177.6	0	0	0	0	108.9	L359 L362 N363 L366 V375	L359-V486 HydrophobicContact CB-CG1 4.17Å; L359-V486 HydrophobicContact CD2-CG1 3.83Å; L359-V486 HydrophobicContact CG-CG1 4.49Å; L362-V486 HydrophobicContact CB-CG2 4.18Å; L362-V486 HydrophobicContact CD2-CG2 3.83Å; L362-V486 HydrophobicContact CG-CG2 3.76Å; N363-V486 HydrophobicContact CB-CB 3.93Å; N363-V486 HydrophobicContact CB-CG2 3.83Å; N363-V486 PolarHBondContact OD1-N 3.2Å; L366-V486 HydrophobicContact CD1-CG2 4.06Å; V375-V486 HydrophobicContact CB-CG1 4.46Å; V375-V486 HydrophobicContact CB-CG2 4.23Å; V375-V486 HydrophobicContact CG1-CG1 4.42Å; V375-V486 CarbonylContact O-C 3.46Å; V375-V486 VanDerWaalsContact O-CA 3.32Å; V375-V486 WeakPolarHBondContact O-CA 3.33Å
487	K	98.6	Very high	96.2	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	153.4	172.5	-44.1	-57.2	-166.4	-172.1	0	109.8	F325 T374 V375 V376 A377 N480 D481 D484	F325-K487 HydrophobicContact CE1-CB 3.9Å; F325-K487 HydrophobicContact CE1-CD 3.98Å; F325-K487 HydrophobicContact CE1-CG 3.76Å; F325-K487 HydrophobicContact CZ-CB 3.6Å; F325-K487 HydrophobicContact CZ-CG 3.91Å; T374-K487 HydrophobicContact CG2-CG 4.16Å; V375-K487 PolarHBondContact O-N 3.48Å; V376-K487 CarbonylContact C-O 3.52Å; V376-K487 WeakPolarHBondContact CA-O 3.22Å; V376-K487 HydrophobicContact CB-CB 4.49Å; V376-K487 HydrophobicContact CG1-CB 4.36Å; V376-K487 HydrophobicContact CG2-CB 4.11Å; V376-K487 HydrophobicContact CG2-CG 4.25Å; A377-K487 PolarHBondContact N-O 3.37Å; N480-K487 VanDerWaalsContact OD1-CA 3.22Å; N480-K487 WeakPolarHBondContact OD1-CA 3.36Å; N480-K487 WeakPolarHBondContact OD1-CB 3.4Å; D481-K487 PolarHBondContact O-NZ 2.82Å; D484-K487 HydrophobicContact CB-CD 4.36Å; D484-K487 VanDerWaalsContact O-CE 3.26Å; D484-K487 WeakPolarHBondContact O-CE 3.43Å; D484-K487 PolarHBondContact O-NZ 3.14Å
488	V	98.7	Very high	95.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.4	-177.6	-64.9	0	0	0	0	111.3	L359 A377 I456 L473 L478 N480	L359-V488 HydrophobicContact CD1-CG1 4.37Å; A377-V488 CarbonylContact O-C 3.49Å; A377-V488 WeakPolarHBondContact O-CA 3.37Å; I456-V488 HydrophobicContact CB-CG2 4.15Å; I456-V488 HydrophobicContact CG2-CG2 3.83Å; L473-V488 HydrophobicContact CD1-CG2 4.26Å; L473-V488 HydrophobicContact CD2-CB 4.06Å; L473-V488 HydrophobicContact CD2-CG1 3.94Å; L473-V488 HydrophobicContact CD2-CG2 4Å; L478-V488 HydrophobicContact CB-CG1 4.16Å; L478-V488 HydrophobicContact CB-CG2 4.06Å; L478-V488 HydrophobicContact CD1-CG1 3.96Å; L478-V488 WeakPolarHBondContact O-CG2 3.34Å; N480-V488 PolarHBondContact ND2-O 3.15Å; N480-V488 PolarHBondContact OD1-N 3.09Å; N480-V488 PolarHBondContact OD1-O 3.1Å
489	I	98.4	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.4	175.8	-52.6	179.3	0	0	0	108.6	F320 I321 F325 V376 A377 F378 L379 T458	F320-I489 HydrophobicContact CE1-CD1 3.65Å; F320-I489 HydrophobicContact CE1-CG2 4.46Å; F320-I489 HydrophobicContact CZ-CD1 4.33Å; F320-I489 HydrophobicContact CZ-CG2 4.37Å; I321-I489 HydrophobicContact CD1-CD1 3.65Å; F325-I489 HydrophobicContact CE2-CD1 3.98Å; F325-I489 HydrophobicContact CE2-CG1 4.47Å; V376-I489 HydrophobicContact CG1-CD1 3.76Å; V376-I489 HydrophobicContact CG1-CG1 4.07Å; A377-I489 PolarHBondContact O-N 2.72Å; F378-I489 CarbonylContact C-O 3.54Å; F378-I489 WeakPolarHBondContact CA-O 3.41Å; F378-I489 HydrophobicContact CD1-CB 4.09Å; F378-I489 HydrophobicContact CD1-CD1 4.45Å; F378-I489 HydrophobicContact CD1-CG2 4.29Å; F378-I489 HydrophobicContact CE1-CB 4.29Å; F378-I489 HydrophobicContact CE1-CD1 3.84Å; F378-I489 HydrophobicContact CE1-CG2 4.36Å; F378-I489 HydrophobicContact CZ-CD1 4.04Å; L379-I489 PolarHBondContact N-O 3.39Å; T458-I489 HydrophobicContact CG2-CG2 3.84Å
490	F	98.4	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.6	168.5	-177.6	-149	0	0	0	109.6	Y345 L379 F381 A383 I456 C457 T458 V461 V469 L470 P492	Y345-F490 HydrophobicContact CE1-CZ 4.08Å; L379-F490 HydrophobicContact CB-CD2 3.99Å; L379-F490 WeakPolarHBondContact O-CD2 3.43Å; F381-F490 HydrophobicContact CB-CE2 4.11Å; F381-F490 HydrophobicContact CD2-CE2 4.39Å; A383-F490 HydrophobicContact CB-CZ 4.49Å; I456-F490 WeakPolarHBondContact O-CB 3.4Å; I456-F490 PolarHBondContact O-N 3.36Å; C457-F490 WeakPolarHBondContact CA-O 3.37Å; C457-F490 HydrophobicContact CB-CB 4.39Å; C457-F490 HydrophobicContact CB-CD1 4.42Å; T458-F490 PolarHBondContact N-O 2.72Å; T458-F490 PolarHBondContact OG1-O 3Å; V461-F490 HydrophobicContact CG2-CE1 4.22Å; V469-F490 HydrophobicContact CB-CD1 4.32Å; V469-F490 HydrophobicContact CB-CE1 4.1Å; V469-F490 HydrophobicContact CB-CE2 4.4Å; V469-F490 HydrophobicContact CB-CZ 4.14Å; V469-F490 HydrophobicContact CG1-CB 4.16Å; V469-F490 HydrophobicContact CG1-CD1 3.84Å; V469-F490 HydrophobicContact CG1-CD2 3.9Å; V469-F490 HydrophobicContact CG1-CE1 4.12Å; V469-F490 HydrophobicContact CG1-CE2 4.22Å; V469-F490 HydrophobicContact CG1-CG 3.71Å; V469-F490 HydrophobicContact CG1-CZ 4.31Å; V469-F490 HydrophobicContact CG2-CE2 4.32Å; V469-F490 HydrophobicContact CG2-CZ 4.31Å; L470-F490 HydrophobicContact CD1-CD1 4.5Å; L470-F490 HydrophobicContact CD2-CD1 3.97Å; L470-F490 HydrophobicContact CG-CD1 3.98Å; L470-F490 HydrophobicContact CG-CE1 4.25Å; F490-P492 HydrophobicContact CE1-CB 3.97Å; F490-P492 HydrophobicContact CE1-CG 4.4Å; F490-P492 HydrophobicContact CE2-CB 3.92Å; F490-P492 HydrophobicContact CZ-CB 3.63Å; F490-P492 HydrophobicContact CZ-CG 4.47Å; F490-P492 VanDerWaalsContact O-CD 3.29Å; F490-P492 WeakPolarHBondContact O-CD 3.48Å
491	H	97.2	Very high	94.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	89.9	175.7	-169.7	94.4	0	0	0	109.1	L379 I380 T458 H459 E493	L379-H491 PolarHBondContact O-N 3.33Å; I380-H491 HydrophobicContact CG1-CB 4.49Å; T458-H491 PolarHBondContact OG1-ND1 2.99Å; H459-H491 AromaticContact CE1-CE1 3.89Å; H491-E493 PolarHBondContact CD2-O 3.47Å; H491-E493 VanDerWaalsContact CD2-O 3.31Å; H491-E493 PolarHBondContact O-N 3.17Å
492	P	96.7	Very high	94.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.208	C	C	.	.			trans	-78.4	37	-172.2	31.1	-39.2	0	0	0	115.5	F381 A383 T385 H459 V461 F490	F381-P492 CarbonylContact O-C 3.59Å; F381-P492 WeakPolarHBondContact O-CA 3.48Å; A383-P492 HydrophobicContact CB-CB 3.76Å; A383-P492 PolarHBondContact N-O 3.01Å; T385-P492 HydrophobicContact CG2-CB 3.88Å; T385-P492 HydrophobicContact CG2-CG 3.67Å; H459-P492 HydrophobicContact CB-CG 3.59Å; H459-P492 WeakPolarHBondContact ND1-CD 3.49Å; V461-P492 HydrophobicContact CG2-CG 4.26Å; F490-P492 HydrophobicContact CE1-CB 3.97Å; F490-P492 HydrophobicContact CE1-CG 4.4Å; F490-P492 HydrophobicContact CE2-CB 3.92Å; F490-P492 HydrophobicContact CZ-CB 3.63Å; F490-P492 HydrophobicContact CZ-CG 4.47Å; F490-P492 VanDerWaalsContact O-CD 3.29Å; F490-P492 WeakPolarHBondContact O-CD 3.48Å
493	E	94.2	Very high	94.5	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	21%	0.211	S	C	.	.	S	Bend	trans	-141.8	158	-178.6	-164	-176.3	-169.2	0	0	109.6	H459 H491 N499	H459-E493 IonicContact CE1-OE2 3.75Å; H459-E493 IonicContact NE2-OE2 2.65Å; H459-E493 PolarHBondContact NE2-OE2 3.13Å; H459-E493 VanDerWaalsContact NE2-OE2 3.17Å; H491-E493 PolarHBondContact CD2-O 3.47Å; H491-E493 VanDerWaalsContact CD2-O 3.31Å; H491-E493 PolarHBondContact O-N 3.17Å; E493-N499 PolarHBondContact OE2-ND2 2.78Å
494	F	91.2	Very high	94.5	Very high	144 Å²	144	32.4 Å²	32.4	63%	0.632	18%	0.18	S	C	*	.			trans	-68.2	139.7	166.5	-72.9	-66.7	0	0	0	110.4	P382	P382-F494 HydrophobicContact CB-CD2 4.27Å; P382-F494 HydrophobicContact CB-CE2 4.05Å; P382-F494 HydrophobicContact CB-CZ 4.35Å; P382-F494 HydrophobicContact CG-CD1 3.78Å; P382-F494 HydrophobicContact CG-CD2 3.75Å; P382-F494 HydrophobicContact CG-CE1 3.51Å; P382-F494 HydrophobicContact CG-CE2 3.49Å; P382-F494 VanDerWaalsContact CG-CE2 3.49Å; P382-F494 HydrophobicContact CG-CG 3.9Å; P382-F494 HydrophobicContact CG-CZ 3.38Å
495	L	93.6	Very high	94.4	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.094	20%	0.198	C	C	.	.			trans	-68.6	139.6	175.3	-65	178.9	0	0	0	111.1	I380 L502 Y506 F509	I380-L495 HydrophobicContact CD1-CD1 3.65Å; I380-L495 HydrophobicContact CD1-CG 4.2Å; I380-L495 HydrophobicContact CG2-CG 4.34Å; L495-L502 HydrophobicContact CD2-CD2 3.81Å; L495-L502 HydrophobicContact CD2-CG 4.49Å; L495-Y506 HydrophobicContact CD1-CD2 4.43Å; L495-F509 HydrophobicContact CD1-CB 3.38Å; L495-F509 HydrophobicContact CD1-CD1 3.55Å; L495-F509 HydrophobicContact CD1-CD2 3.76Å; L495-F509 HydrophobicContact CD1-CE1 4.31Å; L495-F509 HydrophobicContact CD1-CE2 4.49Å; L495-F509 HydrophobicContact CD1-CG 3.25Å
496	S	92.5	Very high	94.2	Very high	37 Å²	37	36.3 Å²	36.3	26%	0.259	20%	0.201	S	C	.	.			trans	-149.7	140.5	178.5	175.8	0	0	0	0	109.5	T498 N499 M504	S496-T498 PolarHBondContact O-N 3.39Å; S496-T498 VanDerWaalsContact O-N 3.09Å; S496-T498 PolarHBondContact OG-N 3.12Å; S496-T498 PolarHBondContact OG-OG1 3.11Å; S496-N499 WeakPolarHBondContact O-CB 2.84Å; S496-N499 PolarHBondContact O-N 3.37Å; S496-M504 CarbonylContact C-O 3.41Å; S496-M504 VanDerWaalsContact C-O 3.23Å; S496-M504 PolarHBondContact N-O 2.95Å
497	S	90.9	Very high	93.8	Very high	60 Å²	60	40.9 Å²	40.9	42%	0.42	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.6	170.3	47.5	0	0	0	0	113.9	P503 D505	S497-P503 WeakPolarHBondContact O-CB 3.45Å; S497-D505 VanDerWaalsContact CB-OD1 3.22Å; S497-D505 WeakPolarHBondContact CB-OD1 3.47Å; S497-D505 PolarHBondContact N-OD1 3.37Å; S497-D505 PolarHBondContact OG-OD1 2.68Å
498	T	91.6	Very high	93.7	Very high	122 Å²	122	43.3 Å²	43.3	75%	0.748	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.5	175	61	0	0	0	0	114.1	S496	S496-T498 PolarHBondContact O-N 3.39Å; S496-T498 VanDerWaalsContact O-N 3.09Å; S496-T498 PolarHBondContact OG-N 3.12Å; S496-T498 PolarHBondContact OG-OG1 3.11Å
499	N	90	Very high	93.6	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	23%	0.233	C	C	.	.			trans	-67.6	127.4	-179.8	-171.5	-59.2	0	0	0	110.3	E493 S496 L501 L502 P503	E493-N499 PolarHBondContact OE2-ND2 2.78Å; S496-N499 WeakPolarHBondContact O-CB 2.84Å; S496-N499 PolarHBondContact O-N 3.37Å; N499-L501 VanDerWaalsContact C-N 3.31Å; N499-L501 PolarHBondContact O-N 2.89Å; N499-L501 WeakPolarHBondContact OD1-CB 3.39Å; N499-L501 PolarHBondContact OD1-N 3.25Å; N499-L502 CarbonylContact O-C 3.57Å; N499-L502 PolarHBondContact OD1-N 3.06Å; N499-P503 WeakPolarHBondContact O-CA 3.47Å; N499-P503 WeakPolarHBondContact O-CB 3.28Å
500	P	89.3	Confident	93.5	Very high	73 Å²	73	43.3 Å²	43.3	47%	0.474	23%	0.233	S	C	.	.	S	Bend	trans	-74.8	-18.9	-174.5	30.5	-36.4	0	0	0	114	F388 F393	F388-P500 HydrophobicContact CD2-CG 4.41Å; F388-P500 HydrophobicContact CE2-CG 3.83Å; F388-P500 HydrophobicContact CZ-CG 4.05Å; F393-P500 HydrophobicContact CE1-CB 3.69Å; F393-P500 HydrophobicContact CE1-CG 3.46Å; F393-P500 VanDerWaalsContact CE1-CG 3.46Å; F393-P500 HydrophobicContact CZ-CB 4.25Å; F393-P500 HydrophobicContact CZ-CG 3.52Å
501	L	90.6	Very high	93.4	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.236	C	C	.	.	S	Bend	trans	-86.1	-50	177.5	-60.9	-176.5	0	0	0	111.1	F320 F388 F393 Q396 T458 N499	F320-L501 VanDerWaalsContact CD2-O 3.31Å; F320-L501 WeakPolarHBondContact CD2-O 3.37Å; F320-L501 HydrophobicContact CE2-CB 4.34Å; F388-L501 HydrophobicContact CB-CD1 4.26Å; F388-L501 HydrophobicContact CD1-CD1 3.33Å; F388-L501 HydrophobicContact CD1-CG 3.88Å; F388-L501 HydrophobicContact CE1-CD1 3.93Å; F388-L501 HydrophobicContact CE1-CG 4.18Å; F388-L501 HydrophobicContact CG-CD1 4.05Å; F388-L501 HydrophobicContact CG-CG 4.4Å; F393-L501 HydrophobicContact CD1-CD2 4.03Å; F393-L501 HydrophobicContact CE1-CD2 4.44Å; F393-L501 HydrophobicContact CG-CD2 4.19Å; Q396-L501 HydrophobicContact CG-CD2 4.06Å; T458-L501 HydrophobicContact CG2-CD1 4.45Å; N499-L501 VanDerWaalsContact C-N 3.31Å; N499-L501 PolarHBondContact O-N 2.89Å; N499-L501 WeakPolarHBondContact OD1-CB 3.39Å; N499-L501 PolarHBondContact OD1-N 3.25Å
502	L	91.6	Very high	93.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	-131.1	83.7	-176.6	-176.6	59.8	0	0	0	109.3	L317 F320 L495 N499 M504 F509	L317-L502 HydrophobicContact CD2-CD1 4.12Å; F320-L502 HydrophobicContact CB-CD1 3.88Å; F320-L502 HydrophobicContact CD1-CD1 4.42Å; F320-L502 HydrophobicContact CD2-CB 4.32Å; F320-L502 HydrophobicContact CD2-CD1 4.43Å; F320-L502 HydrophobicContact CG-CD1 3.98Å; L495-L502 HydrophobicContact CD2-CD2 3.81Å; L495-L502 HydrophobicContact CD2-CG 4.49Å; N499-L502 CarbonylContact O-C 3.57Å; N499-L502 PolarHBondContact OD1-N 3.06Å; L502-M504 HydrophobicContact CD1-CG 4.12Å; L502-M504 HydrophobicContact CD1-SD 3.66Å; L502-M504 HydrophobicContact CG-CB 4.47Å; L502-M504 HydrophobicContact CG-CG 4.46Å; L502-M504 HydrophobicContact CG-SD 4.4Å; L502-M504 PolarHBondContact O-N 3.11Å; L502-F509 HydrophobicContact CD2-CD2 4.01Å; L502-F509 HydrophobicContact CD2-CE2 4.28Å
503	P	93	Very high	93.5	Very high	71 Å²	71	44 Å²	44	46%	0.461	24%	0.236	S	C	.	.			trans	-78	67.7	-174.1	32.6	-36.4	0	0	0	110.9	S497 N499	S497-P503 WeakPolarHBondContact O-CB 3.45Å; N499-P503 WeakPolarHBondContact O-CA 3.47Å; N499-P503 WeakPolarHBondContact O-CB 3.28Å
504	M	95.1	Very high	93.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.22	C	C	.	.			trans	-136.7	135.2	-179.5	-63.4	179.3	76.1	0	0	109	A313 K316 L317 S496 L502 E508 F509	A313-M504 HydrophobicContact CB-CE 3.92Å; K316-M504 HydrophobicContact CB-CE 4.08Å; K316-M504 HydrophobicContact CB-CG 4.29Å; K316-M504 HydrophobicContact CB-SD 3.71Å; K316-M504 HydrophobicContact CD-CE 4.35Å; K316-M504 HydrophobicContact CD-CG 4.04Å; K316-M504 HydrophobicContact CD-SD 4.39Å; L317-M504 HydrophobicContact CD2-SD 4.05Å; L317-M504 HydrophobicContact CG-CE 4.35Å; L317-M504 HydrophobicContact CG-SD 4.12Å; S496-M504 CarbonylContact C-O 3.41Å; S496-M504 VanDerWaalsContact C-O 3.23Å; S496-M504 PolarHBondContact N-O 2.95Å; L502-M504 HydrophobicContact CD1-CG 4.12Å; L502-M504 HydrophobicContact CD1-SD 3.66Å; L502-M504 HydrophobicContact CG-CB 4.47Å; L502-M504 HydrophobicContact CG-CG 4.46Å; L502-M504 HydrophobicContact CG-SD 4.4Å; L502-M504 PolarHBondContact O-N 3.11Å; M504-E508 HydrophobicContact CB-CB 4.48Å; M504-E508 HydrophobicContact CE-CB 4.17Å; M504-E508 HydrophobicContact CE-CG 3.66Å; M504-E508 WeakPolarHBondContact CE-O 3.21Å; M504-F509 HydrophobicContact CB-CB 4.47Å
505	D	94	Very high	94	Very high	80 Å²	80	33.8 Å²	33.8	43%	0.428	19%	0.19	S	C	.	.			trans	-72.5	160.3	165.8	-63.1	-39.1	0	0	0	109.8	S497 E507 E508 F509	S497-D505 VanDerWaalsContact CB-OD1 3.22Å; S497-D505 WeakPolarHBondContact CB-OD1 3.47Å; S497-D505 PolarHBondContact N-OD1 3.37Å; S497-D505 PolarHBondContact OG-OD1 2.68Å; D505-E507 VanDerWaalsContact C-N 3.34Å; D505-E507 PolarHBondContact O-N 3.08Å; D505-E508 PolarHBondContact O-N 3.03Å; D505-E508 VanDerWaalsContact O-N 3.09Å; D505-F509 PolarHBondContact O-N 2.83Å
506	Y	93	Very high	94.3	Very high	62 Å²	62	32.9 Å²	32.9	24%	0.243	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-44.2	-176.4	174.2	-100.6	0	0	0	113.3	A342 L495 E508 F509 V510 T528 E531	A342-Y506 HydrophobicContact CB-CE2 3.86Å; L495-Y506 HydrophobicContact CD1-CD2 4.43Å; Y506-E508 VanDerWaalsContact C-N 3.34Å; Y506-E508 PolarHBondContact O-N 2.85Å; Y506-F509 PolarHBondContact O-N 3.43Å; Y506-V510 HydrophobicContact CD1-CG2 4.37Å; Y506-V510 HydrophobicContact CD2-CG2 4.27Å; Y506-V510 HydrophobicContact CE1-CG2 3.89Å; Y506-V510 HydrophobicContact CE2-CG2 3.77Å; Y506-V510 WeakPolarHBondContact O-CG2 3.12Å; Y506-V510 PolarHBondContact O-N 2.81Å; Y506-T528 WeakPolarHBondContact OH-CG2 3.49Å; Y506-E531 VanDerWaalsContact CE1-OE2 3.28Å; Y506-E531 WeakPolarHBondContact CE1-OE2 3.44Å; Y506-E531 PolarHBondContact OH-OE2 3.28Å
507	E	92	Very high	94.6	Very high	96 Å²	96	31.1 Å²	31.1	45%	0.449	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-43.7	177.5	-166.8	-163.1	151.3	0	0	111.7	D505 F509 V510 R511 M535	D505-E507 VanDerWaalsContact C-N 3.34Å; D505-E507 PolarHBondContact O-N 3.08Å; E507-F509 VanDerWaalsContact C-N 3.34Å; E507-F509 PolarHBondContact O-N 2.81Å; E507-V510 PolarHBondContact O-N 2.97Å; E507-R511 WeakPolarHBondContact O-CG 3.18Å; E507-R511 PolarHBondContact O-N 2.85Å; E507-R511 IonicContact OE1-CZ 2.62Å; E507-R511 IonicContact OE1-NE 2.9Å; E507-R511 PolarHBondContact OE1-NE 2.91Å; E507-R511 IonicContact OE1-NH2 3.17Å; E507-R511 PolarHBondContact OE1-NH2 2.64Å; E507-M535 HydrophobicContact CB-SD 4.3Å; E507-M535 HydrophobicContact CG-CE 4.26Å; E507-M535 HydrophobicContact CG-CG 4.32Å; E507-M535 HydrophobicContact CG-SD 3.39Å; E507-M535 WeakPolarHBondContact CG-SD 3.48Å
508	E	94.8	Very high	94.9	Very high	54 Å²	54	28.6 Å²	28.6	25%	0.252	16%	0.155	S	C	.	.	H	α-helix	trans	-64.3	-42.6	179.4	-165	-178.6	-158.4	0	0	111	A313 K316 M504 D505 Y506 R511 G512	A313-E508 HydrophobicContact CB-CG 3.95Å; A313-E508 VanDerWaalsContact CB-O 3.26Å; A313-E508 WeakPolarHBondContact CB-O 3.37Å; K316-E508 WeakPolarHBondContact CD-OE1 3.29Å; K316-E508 WeakPolarHBondContact CE-OE1 3.4Å; K316-E508 IonicContact NZ-OE1 2.81Å; K316-E508 PolarHBondContact NZ-OE1 2.78Å; K316-E508 IonicContact NZ-OE2 3.94Å; K316-E508 PolarHBondContact NZ-OE2 3.27Å; M504-E508 HydrophobicContact CB-CB 4.48Å; M504-E508 HydrophobicContact CE-CB 4.17Å; M504-E508 HydrophobicContact CE-CG 3.66Å; M504-E508 WeakPolarHBondContact CE-O 3.21Å; D505-E508 PolarHBondContact O-N 3.03Å; D505-E508 VanDerWaalsContact O-N 3.09Å; Y506-E508 VanDerWaalsContact C-N 3.34Å; Y506-E508 PolarHBondContact O-N 2.85Å; E508-R511 PolarHBondContact O-N 3.3Å; E508-G512 PolarHBondContact O-N 3.07Å
509	F	97.7	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-48	176.1	169.9	-91.6	0	0	0	112.2	L317 F340 F378 I380 L495 L502 M504 D505 Y506 E507 R511 G512 C513	L317-F509 HydrophobicContact CD2-CD2 3.73Å; L317-F509 HydrophobicContact CD2-CE2 3.77Å; F340-F509 HydrophobicContact CB-CE1 3.75Å; F340-F509 HydrophobicContact CB-CZ 3.84Å; F340-F509 HydrophobicContact CD1-CE1 4.25Å; F340-F509 AromaticContact CD2-CE1 3.73Å; F340-F509 HydrophobicContact CD2-CE1 3.73Å; F340-F509 HydrophobicContact CE2-CE1 4.37Å; F340-F509 AromaticContact CG-CE1 3.65Å; F340-F509 HydrophobicContact CG-CE1 3.65Å; F340-F509 HydrophobicContact CG-CZ 4.23Å; F378-F509 HydrophobicContact CB-CE2 4.43Å; F378-F509 HydrophobicContact CB-CZ 3.79Å; F378-F509 HydrophobicContact CD1-CE2 4.03Å; F378-F509 HydrophobicContact CD1-CZ 4.24Å; F378-F509 HydrophobicContact CD2-CE2 4.15Å; F378-F509 HydrophobicContact CD2-CZ 4.03Å; F378-F509 HydrophobicContact CE1-CE2 4.26Å; F378-F509 HydrophobicContact CE2-CE2 4.4Å; F378-F509 AromaticContact CG-CE2 3.96Å; F378-F509 HydrophobicContact CG-CE2 3.96Å; F378-F509 AromaticContact CG-CZ 3.77Å; F378-F509 HydrophobicContact CG-CZ 3.77Å; F378-F509 HydrophobicContact CZ-CE2 4.44Å; I380-F509 HydrophobicContact CD1-CD1 3.75Å; I380-F509 HydrophobicContact CD1-CE1 3.23Å; I380-F509 HydrophobicContact CD1-CE2 4.22Å; I380-F509 HydrophobicContact CD1-CG 4.45Å; I380-F509 HydrophobicContact CD1-CZ 3.52Å; L495-F509 HydrophobicContact CD1-CB 3.38Å; L495-F509 HydrophobicContact CD1-CD1 3.55Å; L495-F509 HydrophobicContact CD1-CD2 3.76Å; L495-F509 HydrophobicContact CD1-CE1 4.31Å; L495-F509 HydrophobicContact CD1-CE2 4.49Å; L495-F509 HydrophobicContact CD1-CG 3.25Å; L502-F509 HydrophobicContact CD2-CD2 4.01Å; L502-F509 HydrophobicContact CD2-CE2 4.28Å; M504-F509 HydrophobicContact CB-CB 4.47Å; D505-F509 PolarHBondContact O-N 2.83Å; Y506-F509 PolarHBondContact O-N 3.43Å; E507-F509 VanDerWaalsContact C-N 3.34Å; E507-F509 PolarHBondContact O-N 2.81Å; F509-R511 VanDerWaalsContact C-N 3.32Å; F509-R511 PolarHBondContact O-N 2.94Å; F509-G512 PolarHBondContact O-N 2.77Å; F509-G512 VanDerWaalsContact O-N 3.1Å; F509-C513 WeakPolarHBondContact CZ-SG 3.05Å; F509-C513 PolarHBondContact O-N 3.35Å; F509-C513 PolarHBondContact O-SG 3.08Å
510	V	96.7	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.2	-45.9	178.7	173.2	0	0	0	0	110.1	F340 Y506 E507 G512 C513 M535 I537	F340-V510 HydrophobicContact CE1-CG1 4.24Å; F340-V510 HydrophobicContact CE1-CG2 4.48Å; F340-V510 HydrophobicContact CE2-CG2 3.85Å; F340-V510 HydrophobicContact CZ-CB 4.13Å; F340-V510 HydrophobicContact CZ-CG1 3.79Å; F340-V510 HydrophobicContact CZ-CG2 3.61Å; Y506-V510 HydrophobicContact CD1-CG2 4.37Å; Y506-V510 HydrophobicContact CD2-CG2 4.27Å; Y506-V510 HydrophobicContact CE1-CG2 3.89Å; Y506-V510 HydrophobicContact CE2-CG2 3.77Å; Y506-V510 WeakPolarHBondContact O-CG2 3.12Å; Y506-V510 PolarHBondContact O-N 2.81Å; E507-V510 PolarHBondContact O-N 2.97Å; V510-G512 VanDerWaalsContact C-N 3.25Å; V510-G512 PolarHBondContact O-N 3.13Å; V510-C513 WeakPolarHBondContact O-CB 3.29Å; V510-C513 PolarHBondContact O-N 3.19Å; V510-M535 HydrophobicContact CB-CE 3.7Å; V510-M535 HydrophobicContact CB-SD 3.75Å; V510-M535 HydrophobicContact CG1-CE 3.48Å; V510-M535 VanDerWaalsContact CG1-CE 3.48Å; V510-M535 HydrophobicContact CG1-SD 3.69Å; V510-M535 HydrophobicContact CG2-CE 4.1Å; V510-I537 HydrophobicContact CG1-CB 4.42Å; V510-I537 HydrophobicContact CG1-CG1 4.17Å; V510-I537 WeakPolarHBondContact O-CG1 3.42Å
511	R	95.6	Very high	95.9	Very high	17 Å²	17	20.6 Å²	20.6	6%	0.064	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-34.9	176.6	-72.2	-176.8	-176.4	-70.5	0.7	113.1	H310 A313 E507 E508 F509 C513 M535	H310-R511 WeakPolarHBondContact CA-O 3.48Å; H310-R511 WeakPolarHBondContact CB-O 3.31Å; H310-R511 PolarHBondContact ND1-O 2.86Å; A313-R511 HydrophobicContact CB-CB 4.32Å; E507-R511 WeakPolarHBondContact O-CG 3.18Å; E507-R511 PolarHBondContact O-N 2.85Å; E507-R511 IonicContact OE1-CZ 2.62Å; E507-R511 IonicContact OE1-NE 2.9Å; E507-R511 PolarHBondContact OE1-NE 2.91Å; E507-R511 IonicContact OE1-NH2 3.17Å; E507-R511 PolarHBondContact OE1-NH2 2.64Å; E508-R511 PolarHBondContact O-N 3.3Å; F509-R511 VanDerWaalsContact C-N 3.32Å; F509-R511 PolarHBondContact O-N 2.94Å; R511-C513 VanDerWaalsContact C-N 3.29Å; R511-M535 HydrophobicContact CG-CB 4.13Å; R511-M535 HydrophobicContact CG-CG 4.19Å; R511-M535 HydrophobicContact CG-SD 3.84Å; R511-M535 PolarHBondContact NH1-O 3.3Å
512	G	96.9	Very high	96.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73	-20.6	177.3	0	0	0	0	0	114.1	L317 E508 F509 V510	L317-G512 VanDerWaalsContact CD1-C 3.41Å; L317-G512 WeakPolarHBondContact CD1-O 3.32Å; E508-G512 PolarHBondContact O-N 3.07Å; F509-G512 PolarHBondContact O-N 2.77Å; F509-G512 VanDerWaalsContact O-N 3.1Å; V510-G512 VanDerWaalsContact C-N 3.25Å; V510-G512 PolarHBondContact O-N 3.13Å
513	C	98.5	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.			trans	-76	169.2	-179.9	-69	0	0	0	0	112.7	H310 F340 F509 V510 R511	H310-C513 PolarHBondContact CE1-O 3.31Å; H310-C513 VanDerWaalsContact CE1-O 3.27Å; H310-C513 PolarHBondContact ND1-O 3.03Å; F340-C513 HydrophobicContact CD1-CB 3.55Å; F340-C513 HydrophobicContact CE1-CB 3.79Å; F509-C513 WeakPolarHBondContact CZ-SG 3.05Å; F509-C513 PolarHBondContact O-N 3.35Å; F509-C513 PolarHBondContact O-SG 3.08Å; V510-C513 WeakPolarHBondContact O-CB 3.29Å; V510-C513 PolarHBondContact O-N 3.19Å; R511-C513 VanDerWaalsContact C-N 3.29Å
514	H	98.7	Very high	96.4	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.019	9%	0.089	C	C	.	.	S	Bend	trans	-107.2	-32.9	178.2	-61.1	77.2	0	0	0	112.5	K314 L337 Y338 F587	K314-H514 PolarHBondContact NZ-CE1 3.47Å; K314-H514 PolarHBondContact NZ-NE2 2.77Å; K314-H514 VanDerWaalsContact NZ-NE2 3.16Å; L337-H514 HydrophobicContact CD2-CB 4.39Å; Y338-H514 AromaticContact CD2-CE1 3.76Å; Y338-H514 AromaticContact CD2-ND1 3.82Å; Y338-H514 PolarHBondContact N-ND1 3.23Å; Y338-H514 PolarHBondContact O-N 2.71Å; H514-F587 HydrophobicContact CB-CE1 3.98Å; H514-F587 HydrophobicContact CB-CZ 4.22Å; H514-F587 VanDerWaalsContact O-CZ 3.23Å; H514-F587 WeakPolarHBondContact O-CZ 3.31Å
515	L	98.8	Very high	96.5	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	127	-178.8	-174.8	69.3	0	0	0	110.2	Y338 F339 F340 V517 P538 V540 Y564 L584 F587	Y338-L515 PolarHBondContact O-N 2.91Å; F339-L515 VanDerWaalsContact CA-O 3.31Å; F339-L515 WeakPolarHBondContact CA-O 3.5Å; F339-L515 HydrophobicContact CD1-CB 3.57Å; F339-L515 HydrophobicContact CD1-CD2 4.22Å; F339-L515 HydrophobicContact CD1-CG 4.48Å; F339-L515 HydrophobicContact CE1-CB 3.76Å; F339-L515 HydrophobicContact CE1-CD2 4.01Å; F339-L515 HydrophobicContact CE2-CD2 4.33Å; F339-L515 HydrophobicContact CG-CB 4.32Å; F339-L515 HydrophobicContact CG-CD2 4.49Å; F339-L515 HydrophobicContact CZ-CD2 4.07Å; F340-L515 WeakPolarHBondContact CD1-O 3.47Å; F340-L515 PolarHBondContact N-O 3.4Å; F340-L515 VanDerWaalsContact N-O 3.14Å; L515-V517 HydrophobicContact CD2-CG2 3.88Å; L515-V517 HydrophobicContact CG-CG2 3.93Å; L515-P538 WeakPolarHBondContact CA-O 3.44Å; L515-P538 HydrophobicContact CD1-CB 3.83Å; L515-V540 HydrophobicContact CD1-CG2 4.17Å; L515-V540 HydrophobicContact CD2-CG2 4.09Å; L515-V540 HydrophobicContact CG-CG2 4.29Å; L515-Y564 HydrophobicContact CD1-CD2 4.36Å; L515-Y564 HydrophobicContact CD1-CE2 4.28Å; L515-L584 HydrophobicContact CD2-CD2 3.67Å; L515-F587 HydrophobicContact CB-CD1 4.41Å; L515-F587 HydrophobicContact CB-CE1 4.09Å; L515-F587 HydrophobicContact CB-CE2 4.5Å; L515-F587 HydrophobicContact CB-CZ 4.14Å; L515-F587 HydrophobicContact CD1-CD2 4.12Å; L515-F587 HydrophobicContact CD1-CE2 4.08Å; L515-F587 HydrophobicContact CD2-CB 4.4Å; L515-F587 HydrophobicContact CD2-CD1 4.29Å; L515-F587 HydrophobicContact CD2-CD2 4.45Å; L515-F587 HydrophobicContact CD2-CG 4.12Å
516	G	98.7	Very high	96.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.3	165.1	0	0	0	0	0	110.5	F340 P538 S539 V540	F340-G516 VanDerWaalsContact CE1-CA 3.48Å; G516-P538 PolarHBondContact N-O 2.9Å; G516-S539 CarbonylContact O-C 3.56Å; G516-S539 WeakPolarHBondContact O-CA 3.3Å; G516-V540 PolarHBondContact O-N 3.21Å
517	V	98.8	Very high	96.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	102.6	-175.3	-173.8	0	0	0	0	109.4	F339 F340 I341 F355 L515 P519 V540 L580 L584	F339-V517 HydrophobicContact CB-CG2 4.44Å; F340-V517 PolarHBondContact O-N 3.44Å; I341-V517 WeakPolarHBondContact CB-O 3.38Å; I341-V517 WeakPolarHBondContact CD1-O 3.31Å; I341-V517 VanDerWaalsContact CG1-O 3.22Å; I341-V517 WeakPolarHBondContact CG1-O 3.46Å; F355-V517 HydrophobicContact CD2-CB 3.97Å; F355-V517 HydrophobicContact CD2-CG1 3.42Å; F355-V517 VanDerWaalsContact CD2-CG1 3.42Å; F355-V517 HydrophobicContact CE2-CB 3.63Å; F355-V517 HydrophobicContact CE2-CG1 3.53Å; F355-V517 HydrophobicContact CE2-CG2 3.88Å; F355-V517 HydrophobicContact CG-CG1 4.25Å; F355-V517 HydrophobicContact CZ-CB 4.05Å; F355-V517 HydrophobicContact CZ-CG1 4.4Å; F355-V517 HydrophobicContact CZ-CG2 4.31Å; L515-V517 HydrophobicContact CD2-CG2 3.88Å; L515-V517 HydrophobicContact CG-CG2 3.93Å; V517-P519 VanDerWaalsContact C-CD 3.45Å; V517-P519 WeakPolarHBondContact O-CD 3.42Å; V517-V540 HydrophobicContact CG1-CB 4.22Å; V517-V540 HydrophobicContact CG1-CG2 4.39Å; V517-V540 HydrophobicContact CG2-CG2 4.24Å; V517-L580 HydrophobicContact CG1-CD1 3.84Å; V517-L580 HydrophobicContact CG1-CD2 4.41Å; V517-L584 HydrophobicContact CG1-CD2 4.47Å; V517-L584 HydrophobicContact CG2-CD2 3.89Å
518	F	98.5	Very high	96.4	Very high	7 Å²	7	10.7 Å²	10.7	3%	0.031	5%	0.05	C	C	.	.			trans	-123.9	68.6	-172.8	-42.1	-70.5	0	0	0	111.2	F340 I341 S520 T528 P529 C532 V540 T541	F340-F518 HydrophobicContact CD2-CE1 4.37Å; F340-F518 HydrophobicContact CD2-CZ 4.45Å; F340-F518 AromaticContact CE2-CE1 3.93Å; F340-F518 HydrophobicContact CE2-CE1 3.93Å; F340-F518 AromaticContact CE2-CZ 3.71Å; F340-F518 HydrophobicContact CE2-CZ 3.71Å; F340-F518 HydrophobicContact CZ-CE1 4.44Å; F340-F518 AromaticContact CZ-CZ 3.76Å; F340-F518 HydrophobicContact CZ-CZ 3.76Å; I341-F518 HydrophobicContact CG1-CD1 4.32Å; F518-S520 PolarHBondContact O-N 2.87Å; F518-T528 HydrophobicContact CD1-CG2 3.78Å; F518-T528 HydrophobicContact CE1-CG2 3.2Å; F518-T528 HydrophobicContact CE2-CG2 4.31Å; F518-T528 HydrophobicContact CZ-CG2 3.5Å; F518-T528 VanDerWaalsContact CZ-CG2 3.5Å; F518-P529 HydrophobicContact CD2-CB 3.69Å; F518-P529 HydrophobicContact CD2-CG 4.19Å; F518-P529 HydrophobicContact CE2-CB 4.05Å; F518-C532 VanDerWaalsContact CE2-SG 3.59Å; F518-C532 VanDerWaalsContact CZ-SG 3.56Å; F518-V540 WeakPolarHBondContact CA-O 3.25Å; F518-V540 PolarHBondContact N-O 3.41Å; F518-T541 WeakPolarHBondContact O-CA 3.15Å
519	P	98.1	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.			trans	-78.1	47.9	-175.6	35.5	-36.3	0	0	0	112	G351 I354 F355 V517 T542 R568 L580	G351-P519 WeakPolarHBondContact O-CG 3.47Å; I354-P519 HydrophobicContact CG2-CB 4.29Å; I354-P519 HydrophobicContact CG2-CG 4.45Å; F355-P519 HydrophobicContact CB-CG 4.11Å; V517-P519 VanDerWaalsContact C-CD 3.45Å; V517-P519 WeakPolarHBondContact O-CD 3.42Å; P519-T542 VanDerWaalsContact CA-CG2 3.43Å; P519-T542 HydrophobicContact CB-CG2 4.3Å; P519-R568 WeakPolarHBondContact O-CD 3.43Å; P519-R568 PolarHBondContact O-NH1 3.22Å; P519-L580 HydrophobicContact CB-CD2 4.04Å; P519-L580 HydrophobicContact CG-CD2 4.07Å
520	S	97.2	Very high	96.3	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.021	4%	0.039	C	C	.	.			trans	-58.7	139.5	-172.8	-60	0	0	0	0	113.1	N349 F518 E523 T542	N349-S520 CarbonylContact O-C 3.49Å; N349-S520 VanDerWaalsContact O-CA 3.23Å; N349-S520 WeakPolarHBondContact O-CA 3.32Å; N349-S520 WeakPolarHBondContact O-CB 3.47Å; F518-S520 PolarHBondContact O-N 2.87Å; S520-E523 PolarHBondContact OG-OE2 3.29Å; S520-T542 WeakPolarHBondContact O-CB 3.43Å; S520-T542 VanDerWaalsContact O-CG2 3.26Å; S520-T542 WeakPolarHBondContact O-CG2 3.02Å; S520-T542 PolarHBondContact O-OG1 3.48Å
521	Y	95.8	Very high	96.1	Very high	31 Å²	31	10.8 Å²	10.8	12%	0.122	5%	0.051	C	C	.	.	S	Bend	trans	-85.2	-45.4	167.1	-177	-107.9	0	0	0	111.3	D232 L233 Y234 N349 L544	D232-Y521 WeakPolarHBondContact CA-OH 3.33Å; D232-Y521 PolarHBondContact OD1-OH 3.13Å; D232-Y521 VanDerWaalsContact OD1-OH 3.06Å; L233-Y521 HydrophobicContact CB-CE1 4.4Å; L233-Y521 PolarHBondContact N-OH 3.34Å; Y234-Y521 HydrophobicContact CD2-CE1 4.3Å; Y234-Y521 HydrophobicContact CD2-CE2 4.08Å; Y234-Y521 AromaticContact CD2-CZ 3.84Å; Y234-Y521 HydrophobicContact CE2-CE1 4.34Å; Y234-Y521 VanDerWaalsContact CE2-O 3.31Å; Y234-Y521 WeakPolarHBondContact CE2-O 3.46Å; N349-Y521 PolarHBondContact O-N 3.09Å; Y521-L544 HydrophobicContact CD2-CD1 3.72Å; Y521-L544 HydrophobicContact CE2-CD1 3.91Å; Y521-L544 WeakPolarHBondContact O-CB 3.28Å
522	Y	95.3	Very high	96	Very high	4 Å²	4	10 Å²	10	2%	0.016	5%	0.048	C	C	.	.	S	Bend	trans	-123.7	101.3	179.6	-172.5	-90.9	0	0	0	109.9	T220 R224 C227 L233 Y234 E278 N349 P524	T220-Y522 PolarHBondContact O-OH 3.28Å; R224-Y522 HydrophobicContact CB-CE1 4.38Å; R224-Y522 HydrophobicContact CG-CD1 4.39Å; R224-Y522 HydrophobicContact CG-CE1 3.43Å; R224-Y522 VanDerWaalsContact CG-CE1 3.43Å; C227-Y522 HydrophobicContact CB-CD2 4.16Å; C227-Y522 HydrophobicContact CB-CG 4.07Å; C227-Y522 WeakPolarHBondContact SG-CD2 3.4Å; L233-Y522 HydrophobicContact CD2-CD2 4.16Å; L233-Y522 HydrophobicContact CD2-CE2 4.15Å; Y234-Y522 WeakPolarHBondContact OH-CD2 3.13Å; E278-Y522 PolarHBondContact OE1-OH 2.86Å; E278-Y522 WeakPolarHBondContact OE2-CE2 3.36Å; N349-Y522 PolarHBondContact O-N 2.88Å; Y522-P524 HydrophobicContact CD1-CG 4.34Å; Y522-P524 HydrophobicContact CE1-CG 3.64Å
523	E	95.4	Very high	95.9	Very high	19 Å²	19	10 Å²	10	9%	0.089	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-142.6	92.9	-179.1	-170.1	79.8	-136.9	0	0	110	K350 S520 W525 G526 S545 G546	K350-E523 WeakPolarHBondContact CD-OE2 3.42Å; K350-E523 WeakPolarHBondContact CE-OE2 3.44Å; K350-E523 IonicContact NZ-OE1 3.34Å; K350-E523 PolarHBondContact NZ-OE1 3.1Å; K350-E523 IonicContact NZ-OE2 2.84Å; K350-E523 PolarHBondContact NZ-OE2 3.04Å; S520-E523 PolarHBondContact OG-OE2 3.29Å; E523-W525 PolarHBondContact O-N 2.92Å; E523-W525 VanDerWaalsContact O-N 3.1Å; E523-G526 VanDerWaalsContact CG-CA 3.5Å; E523-S545 WeakPolarHBondContact O-CA 3.15Å; E523-G546 PolarHBondContact O-N 2.69Å
524	P	95.5	Very high	95.6	Very high	18 Å²	18	11.3 Å²	11.3	12%	0.117	6%	0.055	C	C	.	.	S	Bend	trans	-58	-32.6	-173.8	-25.4	32.2	0	0	0	114.1	H218 A219 V271 S272 T275 Y522	H218-P524 WeakPolarHBondContact O-CB 3.45Å; A219-P524 HydrophobicContact CB-CB 4.14Å; A219-P524 HydrophobicContact CB-CG 3.57Å; V271-P524 HydrophobicContact CG2-CB 4.42Å; S272-P524 WeakPolarHBondContact CB-O 3.43Å; S272-P524 PolarHBondContact OG-O 3.26Å; T275-P524 WeakPolarHBondContact OG1-CA 3.34Å; T275-P524 PolarHBondContact OG1-O 3.36Å; Y522-P524 HydrophobicContact CD1-CG 4.34Å; Y522-P524 HydrophobicContact CE1-CG 3.64Å
525	W	95.4	Very high	95.2	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.027	6%	0.057	C	C	.	.	S	Bend	trans	-126	-81	169.5	-178.2	-114.2	0	0	0	111.4	V271 P292 N293 E523 Y527 G546 F547 F550	V271-W525 HydrophobicContact CG2-CB 4.3Å; V271-W525 VanDerWaalsContact O-CE3 3.29Å; V271-W525 WeakPolarHBondContact O-CZ3 3.14Å; P292-W525 HydrophobicContact CB-CH2 3.36Å; P292-W525 HydrophobicContact CB-CZ2 4.26Å; P292-W525 HydrophobicContact CB-CZ3 3.53Å; N293-W525 HydrophobicContact CB-CD2 3.98Å; N293-W525 HydrophobicContact CB-CG 3.94Å; N293-W525 HydrophobicContact CB-CZ2 4.42Å; N293-W525 VanDerWaalsContact O-CE2 3.25Å; N293-W525 WeakPolarHBondContact O-CZ2 3.17Å; N293-W525 PolarHBondContact O-NE1 2.94Å; E523-W525 PolarHBondContact O-N 2.92Å; E523-W525 VanDerWaalsContact O-N 3.1Å; W525-Y527 AromaticContact CD1-CD1 3.92Å; W525-Y527 AromaticContact CD1-CE1 3.81Å; W525-Y527 AromaticContact CD1-CZ 3.88Å; W525-G546 CarbonylContact O-C 3.55Å; W525-G546 WeakPolarHBondContact O-CA 3.46Å; W525-G546 PolarHBondContact O-N 3.3Å; W525-F547 WeakPolarHBondContact O-CB 3.48Å; W525-F547 PolarHBondContact O-N 2.95Å; W525-F550 HydrophobicContact CH2-CB 3.91Å; W525-F550 HydrophobicContact CH2-CD1 4.19Å; W525-F550 HydrophobicContact CH2-CD2 4.29Å; W525-F550 AromaticContact CH2-CG 3.86Å; W525-F550 HydrophobicContact CH2-CG 3.86Å; W525-F550 HydrophobicContact CZ3-CB 4.04Å; W525-F550 HydrophobicContact CZ3-CG 4.38Å
526	G	93.8	Very high	95	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	6%	0.057	C	C	.	.			trans	110.7	73	-173.8	0	0	0	0	0	111.7	E523 T528 P529 A530	E523-G526 VanDerWaalsContact CG-CA 3.5Å; G526-T528 VanDerWaalsContact C-N 3.34Å; G526-P529 WeakPolarHBondContact O-CD 3.32Å; G526-P529 VanDerWaalsContact O-CG 3.32Å; G526-P529 WeakPolarHBondContact O-CG 3.4Å; G526-A530 PolarHBondContact O-N 3.18Å
527	Y	91.8	Very high	94.9	Very high	39 Å²	39	11.6 Å²	11.6	15%	0.153	6%	0.057	C	C	.	.	H	α-helix	trans	-65.9	-38.7	175	-65.7	-80.3	0	0	0	112.2	V54 N293 L295 W525 A530 E531	V54-Y527 HydrophobicContact CG2-CE1 4.21Å; V54-Y527 WeakPolarHBondContact CG2-OH 3.21Å; N293-Y527 HydrophobicContact CB-CE1 3.87Å; N293-Y527 VanDerWaalsContact CG-OH 3.27Å; N293-Y527 PolarHBondContact ND2-OH 3.43Å; L295-Y527 HydrophobicContact CD2-CD1 4.4Å; W525-Y527 AromaticContact CD1-CD1 3.92Å; W525-Y527 AromaticContact CD1-CE1 3.81Å; W525-Y527 AromaticContact CD1-CZ 3.88Å; Y527-A530 CarbonylContact O-C 3.57Å; Y527-A530 WeakPolarHBondContact O-CA 3.43Å; Y527-A530 WeakPolarHBondContact O-CB 3.37Å; Y527-A530 PolarHBondContact O-N 3.4Å; Y527-E531 WeakPolarHBondContact O-CB 3.49Å; Y527-E531 VanDerWaalsContact O-CG 3.28Å; Y527-E531 WeakPolarHBondContact O-CG 3.36Å; Y527-E531 PolarHBondContact O-N 3.27Å
528	T	92.9	Very high	94.9	Very high	20 Å²	20	11.7 Å²	11.7	12%	0.123	6%	0.057	C	C	.	.	H	α-helix	trans	-56.2	-50	-175.7	-40.1	0	0	0	0	112.5	A342 Y506 F518 G526 C532	A342-T528 HydrophobicContact CB-CG2 4.27Å; Y506-T528 WeakPolarHBondContact OH-CG2 3.49Å; F518-T528 HydrophobicContact CD1-CG2 3.78Å; F518-T528 HydrophobicContact CE1-CG2 3.2Å; F518-T528 HydrophobicContact CE2-CG2 4.31Å; F518-T528 HydrophobicContact CZ-CG2 3.5Å; F518-T528 VanDerWaalsContact CZ-CG2 3.5Å; G526-T528 VanDerWaalsContact C-N 3.34Å; T528-C532 PolarHBondContact O-N 3.08Å; T528-C532 VanDerWaalsContact O-N 3.07Å; T528-C532 PolarHBondContact O-SG 3.41Å
529	P	96.4	Very high	94.9	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.026	6%	0.056	C	C	.	.	H	α-helix	trans	-68.8	-32.5	172.4	24.9	-33.7	0	0	0	114	F518 G526 C532 T533 F547	F518-P529 HydrophobicContact CD2-CB 3.69Å; F518-P529 HydrophobicContact CD2-CG 4.19Å; F518-P529 HydrophobicContact CE2-CB 4.05Å; G526-P529 WeakPolarHBondContact O-CD 3.32Å; G526-P529 VanDerWaalsContact O-CG 3.32Å; G526-P529 WeakPolarHBondContact O-CG 3.4Å; P529-C532 WeakPolarHBondContact O-CB 3.32Å; P529-C532 PolarHBondContact O-N 2.78Å; P529-T533 PolarHBondContact O-N 2.98Å; P529-T533 PolarHBondContact O-OG1 2.92Å; P529-F547 HydrophobicContact CB-CD1 3.59Å; P529-F547 HydrophobicContact CB-CE1 3.66Å; P529-F547 HydrophobicContact CB-CG 4.24Å; P529-F547 HydrophobicContact CB-CZ 4.34Å; P529-F547 HydrophobicContact CG-CB 4.19Å; P529-F547 HydrophobicContact CG-CD1 3.63Å; P529-F547 HydrophobicContact CG-CE1 4.23Å; P529-F547 HydrophobicContact CG-CG 3.94Å
530	A	93.6	Very high	94.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.1	-45.5	175.4	0	0	0	0	0	111.7	L295 G526 Y527 C532 T533 V534 F547 L609	L295-A530 HydrophobicContact CD1-CB 3.97Å; G526-A530 PolarHBondContact O-N 3.18Å; Y527-A530 CarbonylContact O-C 3.57Å; Y527-A530 WeakPolarHBondContact O-CA 3.43Å; Y527-A530 WeakPolarHBondContact O-CB 3.37Å; Y527-A530 PolarHBondContact O-N 3.4Å; A530-C532 VanDerWaalsContact C-N 3.35Å; A530-C532 PolarHBondContact O-N 3.31Å; A530-T533 WeakPolarHBondContact O-CB 3.19Å; A530-T533 PolarHBondContact O-N 2.91Å; A530-T533 VanDerWaalsContact O-N 3.16Å; A530-V534 WeakPolarHBondContact O-CG2 3.15Å; A530-V534 PolarHBondContact O-N 3.36Å; A530-F547 HydrophobicContact CB-CD2 3.84Å; A530-F547 HydrophobicContact CB-CE2 4Å; A530-L609 HydrophobicContact CB-CD1 4.28Å
531	E	91.7	Very high	95	Very high	52 Å²	52	11.2 Å²	11.2	24%	0.243	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-42.7	173.9	-72.7	170.3	168	0	0	111.1	L295 Y506 Y527 T533 V534 M535	L295-E531 HydrophobicContact CD1-CG 4.02Å; Y506-E531 VanDerWaalsContact CE1-OE2 3.28Å; Y506-E531 WeakPolarHBondContact CE1-OE2 3.44Å; Y506-E531 PolarHBondContact OH-OE2 3.28Å; Y527-E531 WeakPolarHBondContact O-CB 3.49Å; Y527-E531 VanDerWaalsContact O-CG 3.28Å; Y527-E531 WeakPolarHBondContact O-CG 3.36Å; Y527-E531 PolarHBondContact O-N 3.27Å; E531-T533 VanDerWaalsContact C-N 3.29Å; E531-T533 PolarHBondContact O-N 3.08Å; E531-V534 PolarHBondContact O-N 2.93Å; E531-M535 HydrophobicContact CB-CE 3.75Å; E531-M535 WeakPolarHBondContact O-CB 3.44Å; E531-M535 VanDerWaalsContact O-CE 3.24Å; E531-M535 WeakPolarHBondContact O-CE 3.49Å; E531-M535 VanDerWaalsContact O-CG 3.32Å; E531-M535 WeakPolarHBondContact O-CG 3.38Å; E531-M535 PolarHBondContact O-N 2.97Å
532	C	95	Very high	95.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.7	-46.1	173.6	-68.4	0	0	0	0	111.4	F340 F518 T528 P529 A530 M535 G536 I537	F340-C532 VanDerWaalsContact CZ-SG 3.53Å; F518-C532 VanDerWaalsContact CE2-SG 3.59Å; F518-C532 VanDerWaalsContact CZ-SG 3.56Å; T528-C532 PolarHBondContact O-N 3.08Å; T528-C532 VanDerWaalsContact O-N 3.07Å; T528-C532 PolarHBondContact O-SG 3.41Å; P529-C532 WeakPolarHBondContact O-CB 3.32Å; P529-C532 PolarHBondContact O-N 2.78Å; A530-C532 VanDerWaalsContact C-N 3.35Å; A530-C532 PolarHBondContact O-N 3.31Å; C532-M535 CarbonylContact O-C 3.49Å; C532-M535 WeakPolarHBondContact O-CA 3.39Å; C532-M535 PolarHBondContact O-N 3.47Å; C532-M535 VanDerWaalsContact O-N 3.1Å; C532-G536 PolarHBondContact O-N 3.49Å; C532-G536 VanDerWaalsContact O-N 3.14Å; C532-I537 CarbonylContact C-O 3.6Å; C532-I537 HydrophobicContact CB-CB 4.26Å; C532-I537 WeakPolarHBondContact CB-O 3.47Å; C532-I537 PolarHBondContact O-N 3.14Å
533	T	94.3	Very high	95.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.4	-45.7	-179.6	-53.4	0	0	0	0	111.2	P529 A530 E531 M535 G536 F547 I563 T602 L605 L609	P529-T533 PolarHBondContact O-N 2.98Å; P529-T533 PolarHBondContact O-OG1 2.92Å; A530-T533 WeakPolarHBondContact O-CB 3.19Å; A530-T533 PolarHBondContact O-N 2.91Å; A530-T533 VanDerWaalsContact O-N 3.16Å; E531-T533 VanDerWaalsContact C-N 3.29Å; E531-T533 PolarHBondContact O-N 3.08Å; T533-M535 PolarHBondContact O-N 3.41Å; T533-G536 PolarHBondContact O-N 2.87Å; T533-F547 WeakPolarHBondContact OG1-CZ 3.47Å; T533-I563 HydrophobicContact CG2-CD1 4.26Å; T533-I563 WeakPolarHBondContact OG1-CD1 3.27Å; T533-T602 HydrophobicContact CG2-CG2 4.15Å; T533-L605 HydrophobicContact CG2-CB 3.7Å; T533-L609 HydrophobicContact CG2-CD1 3.82Å
534	V	91.1	Very high	95.2	Very high	27 Å²	27	9.2 Å²	9.2	16%	0.164	5%	0.047	C	C	.	.	H	α-helix	trans	-60.9	-30.8	174.8	172.4	0	0	0	0	112.2	L295 V297 A530 E531 G536 L609	L295-V534 HydrophobicContact CB-CG2 4.48Å; L295-V534 HydrophobicContact CD1-CG2 3.9Å; V297-V534 HydrophobicContact CG1-CG1 4.22Å; V297-V534 HydrophobicContact CG2-CG1 4.06Å; V297-V534 HydrophobicContact CG2-CG2 3.89Å; A530-V534 WeakPolarHBondContact O-CG2 3.15Å; A530-V534 PolarHBondContact O-N 3.36Å; E531-V534 PolarHBondContact O-N 2.93Å; V534-G536 VanDerWaalsContact C-N 3.31Å; V534-L609 HydrophobicContact CG2-CD1 4.42Å
535	M	91.5	Very high	95.3	Very high	11 Å²	11	8.3 Å²	8.3	5%	0.054	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.7	176.1	-69.4	-175.5	-102.7	0	0	114.3	E507 V510 R511 E531 C532 T533 I537	E507-M535 HydrophobicContact CB-SD 4.3Å; E507-M535 HydrophobicContact CG-CE 4.26Å; E507-M535 HydrophobicContact CG-CG 4.32Å; E507-M535 HydrophobicContact CG-SD 3.39Å; E507-M535 WeakPolarHBondContact CG-SD 3.48Å; V510-M535 HydrophobicContact CB-CE 3.7Å; V510-M535 HydrophobicContact CB-SD 3.75Å; V510-M535 HydrophobicContact CG1-CE 3.48Å; V510-M535 VanDerWaalsContact CG1-CE 3.48Å; V510-M535 HydrophobicContact CG1-SD 3.69Å; V510-M535 HydrophobicContact CG2-CE 4.1Å; R511-M535 HydrophobicContact CG-CB 4.13Å; R511-M535 HydrophobicContact CG-CG 4.19Å; R511-M535 HydrophobicContact CG-SD 3.84Å; R511-M535 PolarHBondContact NH1-O 3.3Å; E531-M535 HydrophobicContact CB-CE 3.75Å; E531-M535 WeakPolarHBondContact O-CB 3.44Å; E531-M535 VanDerWaalsContact O-CE 3.24Å; E531-M535 WeakPolarHBondContact O-CE 3.49Å; E531-M535 VanDerWaalsContact O-CG 3.32Å; E531-M535 WeakPolarHBondContact O-CG 3.38Å; E531-M535 PolarHBondContact O-N 2.97Å; C532-M535 CarbonylContact O-C 3.49Å; C532-M535 WeakPolarHBondContact O-CA 3.39Å; C532-M535 PolarHBondContact O-N 3.47Å; C532-M535 VanDerWaalsContact O-N 3.1Å; T533-M535 PolarHBondContact O-N 3.41Å; M535-I537 VanDerWaalsContact C-N 3.34Å; M535-I537 HydrophobicContact CB-CG1 4.17Å
536	G	93.6	Very high	95.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	24.1	-176.6	0	0	0	0	0	113.7	C532 T533 V534 R599	C532-G536 PolarHBondContact O-N 3.49Å; C532-G536 VanDerWaalsContact O-N 3.14Å; T533-G536 PolarHBondContact O-N 2.87Å; V534-G536 VanDerWaalsContact C-N 3.31Å; G536-R599 WeakPolarHBondContact O-CA 3.49Å; G536-R599 VanDerWaalsContact O-CB 3.27Å; G536-R599 WeakPolarHBondContact O-CB 3.31Å; G536-R599 WeakPolarHBondContact O-CG 3.47Å
537	I	96.8	Very high	95.6	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.04	C	C	.	.			trans	-104.5	118	-179.8	-55.6	-58.5	0	0	0	109.4	V510 C532 M535	V510-I537 HydrophobicContact CG1-CB 4.42Å; V510-I537 HydrophobicContact CG1-CG1 4.17Å; V510-I537 WeakPolarHBondContact O-CG1 3.42Å; C532-I537 CarbonylContact C-O 3.6Å; C532-I537 HydrophobicContact CB-CB 4.26Å; C532-I537 WeakPolarHBondContact CB-O 3.47Å; C532-I537 PolarHBondContact O-N 3.14Å; M535-I537 VanDerWaalsContact C-N 3.34Å; M535-I537 HydrophobicContact CB-CG1 4.17Å
538	P	98.4	Very high	95.8	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.033	C	C	.	.			trans	-51.4	147.3	174.4	-30	35.6	0	0	0	111.7	L515 G516 G562 F587 L598 R599	L515-P538 WeakPolarHBondContact CA-O 3.44Å; L515-P538 HydrophobicContact CD1-CB 3.83Å; G516-P538 PolarHBondContact N-O 2.9Å; P538-G562 CarbonylContact C-O 3.59Å; P538-G562 VanDerWaalsContact CA-O 3.25Å; P538-G562 WeakPolarHBondContact CA-O 3.46Å; P538-G562 WeakPolarHBondContact CB-O 3.3Å; P538-F587 HydrophobicContact CB-CE2 4.07Å; P538-F587 HydrophobicContact CG-CE2 4.16Å; P538-L598 HydrophobicContact CB-CD2 4.22Å; P538-L598 HydrophobicContact CG-CD2 3.8Å; P538-L598 HydrophobicContact CG-CG 3.98Å; P538-R599 HydrophobicContact CG-CG 4.46Å
539	S	98.5	Very high	96	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.2	180	65.6	0	0	0	0	113.3	G516 G562 I563 Y564	G516-S539 CarbonylContact O-C 3.56Å; G516-S539 WeakPolarHBondContact O-CA 3.3Å; S539-G562 PolarHBondContact N-O 3.44Å; S539-I563 WeakPolarHBondContact O-CA 3.5Å; S539-Y564 PolarHBondContact O-N 3.33Å
540	V	98.7	Very high	96	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.7	167.1	-169.2	0	0	0	0	108.4	L515 G516 V517 F518 Y564 V566 L580	L515-V540 HydrophobicContact CD1-CG2 4.17Å; L515-V540 HydrophobicContact CD2-CG2 4.09Å; L515-V540 HydrophobicContact CG-CG2 4.29Å; G516-V540 PolarHBondContact O-N 3.21Å; V517-V540 HydrophobicContact CG1-CB 4.22Å; V517-V540 HydrophobicContact CG1-CG2 4.39Å; V517-V540 HydrophobicContact CG2-CG2 4.24Å; F518-V540 WeakPolarHBondContact CA-O 3.25Å; F518-V540 PolarHBondContact N-O 3.41Å; V540-Y564 CarbonylContact C-O 3.59Å; V540-Y564 VanDerWaalsContact CA-O 3.3Å; V540-Y564 WeakPolarHBondContact CA-O 3.26Å; V540-Y564 HydrophobicContact CG2-CD2 4.31Å; V540-Y564 HydrophobicContact CG2-CG 4.43Å; V540-V566 HydrophobicContact CG1-CG2 3.67Å; V540-L580 HydrophobicContact CB-CD1 4.4Å; V540-L580 HydrophobicContact CG1-CD1 3.71Å; V540-L580 HydrophobicContact CG2-CD1 4.45Å
541	T	98.5	Very high	96.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	-169.1	175.2	-163.9	0	0	0	0	110	F518 S545 F547 I563 Y564 I565 V566	F518-T541 WeakPolarHBondContact O-CA 3.15Å; T541-S545 WeakPolarHBondContact OG1-CB 3.15Å; T541-S545 PolarHBondContact OG1-OG 3.19Å; T541-F547 HydrophobicContact CG2-CD1 3.98Å; T541-F547 HydrophobicContact CG2-CE1 4.25Å; T541-I563 HydrophobicContact CG2-CG2 4.33Å; T541-Y564 PolarHBondContact N-O 2.9Å; T541-I565 HydrophobicContact CG2-CG1 4.04Å; T541-V566 PolarHBondContact O-N 3.26Å
542	T	98.4	Very high	96.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.4	-179.8	70.2	0	0	0	0	111.4	P519 S520 L544 S545 V566 R568	P519-T542 VanDerWaalsContact CA-CG2 3.43Å; P519-T542 HydrophobicContact CB-CG2 4.3Å; S520-T542 WeakPolarHBondContact O-CB 3.43Å; S520-T542 VanDerWaalsContact O-CG2 3.26Å; S520-T542 WeakPolarHBondContact O-CG2 3.02Å; S520-T542 PolarHBondContact O-OG1 3.48Å; T542-L544 PolarHBondContact O-N 3.17Å; T542-L544 PolarHBondContact OG1-N 3.23Å; T542-S545 PolarHBondContact O-N 2.95Å; T542-S545 VanDerWaalsContact O-N 3.08Å; T542-S545 PolarHBondContact O-OG 3.16Å; T542-S545 PolarHBondContact OG1-N 2.95Å; T542-V566 VanDerWaalsContact CA-O 3.23Å; T542-V566 WeakPolarHBondContact CA-O 3.45Å; T542-V566 HydrophobicContact CG2-CB 4.38Å; T542-R568 HydrophobicContact CG2-CG 3.87Å
543	N	97.1	Very high	96	Very high	10 Å²	10	11.8 Å²	11.8	5%	0.053	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	9.2	168.3	65.1	-7.5	0	0	0	113.6	C549 I565 V566 D567 R568 R569	N543-C549 PolarHBondContact O-SG 3.13Å; N543-C549 VanDerWaalsContact O-SG 3.33Å; N543-I565 HydrophobicContact CB-CG2 4.14Å; N543-V566 PolarHBondContact N-O 3.38Å; N543-V566 VanDerWaalsContact N-O 3.16Å; N543-V566 PolarHBondContact OD1-O 3.36Å; N543-D567 PolarHBondContact ND2-OD1 2.84Å; N543-R568 PolarHBondContact OD1-N 2.99Å; N543-R569 PolarHBondContact OD1-N 3.15Å
544	L	97	Very high	95.9	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-0	166.4	-65.8	179.5	0	0	0	112.3	Y234 I274 Y521 T542 R568 R569	Y234-L544 HydrophobicContact CD1-CD2 4.17Å; Y234-L544 HydrophobicContact CD2-CD1 3.73Å; Y234-L544 HydrophobicContact CD2-CD2 3.63Å; Y234-L544 HydrophobicContact CD2-CG 4.24Å; Y234-L544 HydrophobicContact CE1-CD2 4.43Å; Y234-L544 HydrophobicContact CE2-CB 4.38Å; Y234-L544 HydrophobicContact CE2-CD1 4Å; Y234-L544 HydrophobicContact CE2-CD2 3.92Å; Y234-L544 HydrophobicContact CE2-CG 4.34Å; Y234-L544 HydrophobicContact CG-CD2 3.76Å; I274-L544 HydrophobicContact CD1-CD2 3.84Å; I274-L544 HydrophobicContact CG1-CD2 4.33Å; Y521-L544 HydrophobicContact CD2-CD1 3.72Å; Y521-L544 HydrophobicContact CE2-CD1 3.91Å; Y521-L544 WeakPolarHBondContact O-CB 3.28Å; T542-L544 PolarHBondContact O-N 3.17Å; T542-L544 PolarHBondContact OG1-N 3.23Å; L544-R568 HydrophobicContact CD1-CB 3.73Å; L544-R568 WeakPolarHBondContact CD1-O 3.31Å; L544-R568 HydrophobicContact CG-CB 4.17Å; L544-R569 HydrophobicContact CD2-CB 3.73Å; L544-R569 HydrophobicContact CD2-CG 3.9Å; L544-R569 HydrophobicContact CG-CB 4.13Å
545	S	97.4	Very high	95.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-95.1	143.1	171.1	98.4	0	0	0	0	110.8	E523 T541 T542 F547 G548 C549	E523-S545 WeakPolarHBondContact O-CA 3.15Å; T541-S545 WeakPolarHBondContact OG1-CB 3.15Å; T541-S545 PolarHBondContact OG1-OG 3.19Å; T542-S545 PolarHBondContact O-N 2.95Å; T542-S545 VanDerWaalsContact O-N 3.08Å; T542-S545 PolarHBondContact O-OG 3.16Å; T542-S545 PolarHBondContact OG1-N 2.95Å; S545-F547 VanDerWaalsContact C-N 3.3Å; S545-F547 PolarHBondContact O-N 2.82Å; S545-G548 PolarHBondContact O-N 3.32Å; S545-G548 PolarHBondContact OG-N 3.22Å; S545-C549 PolarHBondContact O-N 3.11Å; S545-C549 PolarHBondContact O-SG 2.87Å; S545-C549 VanDerWaalsContact O-SG 3.36Å
546	G	97.1	Very high	95.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.4	-38.8	177.2	0	0	0	0	0	113.6	E523 W525 F550	E523-G546 PolarHBondContact O-N 2.69Å; W525-G546 CarbonylContact O-C 3.55Å; W525-G546 WeakPolarHBondContact O-CA 3.46Å; W525-G546 PolarHBondContact O-N 3.3Å; G546-F550 WeakPolarHBondContact O-CB 3.34Å; G546-F550 PolarHBondContact O-N 3.37Å
547	F	97.1	Very high	95.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-44.6	175	171.7	-96.5	0	0	0	111.2	W525 P529 A530 T533 T541 S545 F550 I551 I563 L609	W525-F547 WeakPolarHBondContact O-CB 3.48Å; W525-F547 PolarHBondContact O-N 2.95Å; P529-F547 HydrophobicContact CB-CD1 3.59Å; P529-F547 HydrophobicContact CB-CE1 3.66Å; P529-F547 HydrophobicContact CB-CG 4.24Å; P529-F547 HydrophobicContact CB-CZ 4.34Å; P529-F547 HydrophobicContact CG-CB 4.19Å; P529-F547 HydrophobicContact CG-CD1 3.63Å; P529-F547 HydrophobicContact CG-CE1 4.23Å; P529-F547 HydrophobicContact CG-CG 3.94Å; A530-F547 HydrophobicContact CB-CD2 3.84Å; A530-F547 HydrophobicContact CB-CE2 4Å; T533-F547 WeakPolarHBondContact OG1-CZ 3.47Å; T541-F547 HydrophobicContact CG2-CD1 3.98Å; T541-F547 HydrophobicContact CG2-CE1 4.25Å; S545-F547 VanDerWaalsContact C-N 3.3Å; S545-F547 PolarHBondContact O-N 2.82Å; F547-F550 PolarHBondContact O-N 2.96Å; F547-I551 HydrophobicContact CD1-CG1 4.39Å; F547-I551 HydrophobicContact CD2-CG1 4.24Å; F547-I551 HydrophobicContact CE1-CG1 3.92Å; F547-I551 HydrophobicContact CE2-CD1 4.04Å; F547-I551 HydrophobicContact CE2-CG1 3.76Å; F547-I551 HydrophobicContact CZ-CD1 4.08Å; F547-I551 HydrophobicContact CZ-CG1 3.59Å; F547-I551 WeakPolarHBondContact O-CG1 3.29Å; F547-I551 PolarHBondContact O-N 3.03Å; F547-I563 HydrophobicContact CE1-CG2 3.98Å; F547-I563 HydrophobicContact CZ-CD1 4.23Å; F547-I563 HydrophobicContact CZ-CG2 4.49Å; F547-L609 HydrophobicContact CD2-CD2 4.38Å; F547-L609 HydrophobicContact CE2-CD1 3.84Å; F547-L609 HydrophobicContact CE2-CD2 4.01Å
548	G	97.1	Very high	95.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-49.6	177.9	0	0	0	0	0	111.7	S545 F550 I551 E552	S545-G548 PolarHBondContact O-N 3.32Å; S545-G548 PolarHBondContact OG-N 3.22Å; G548-F550 VanDerWaalsContact C-N 3.28Å; G548-F550 PolarHBondContact O-N 3.08Å; G548-I551 PolarHBondContact O-N 3.04Å; G548-E552 WeakPolarHBondContact O-CB 3.27Å; G548-E552 PolarHBondContact O-N 2.89Å
549	C	96.1	Very high	95.4	Very high	16 Å²	16	21 Å²	21	11%	0.108	10%	0.102	C	C	.	.	H	α-helix	trans	-57	-41.2	173.7	-69.9	0	0	0	0	112.4	N543 S545 E553	N543-C549 PolarHBondContact O-SG 3.13Å; N543-C549 VanDerWaalsContact O-SG 3.33Å; S545-C549 PolarHBondContact O-N 3.11Å; S545-C549 PolarHBondContact O-SG 2.87Å; S545-C549 VanDerWaalsContact O-SG 3.36Å; C549-E553 PolarHBondContact O-N 2.86Å
550	F	96.1	Very high	95.2	Very high	13 Å²	13	21 Å²	21	6%	0.057	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-45.9	178.9	176	-96.5	0	0	0	111.7	P292 W525 G546 F547 G548 E553 H554 L608 L609 L614	P292-F550 HydrophobicContact CB-CD2 3.98Å; P292-F550 HydrophobicContact CB-CE2 4.1Å; P292-F550 HydrophobicContact CG-CD2 4.26Å; P292-F550 HydrophobicContact CG-CE2 3.98Å; W525-F550 HydrophobicContact CH2-CB 3.91Å; W525-F550 HydrophobicContact CH2-CD1 4.19Å; W525-F550 HydrophobicContact CH2-CD2 4.29Å; W525-F550 AromaticContact CH2-CG 3.86Å; W525-F550 HydrophobicContact CH2-CG 3.86Å; W525-F550 HydrophobicContact CZ3-CB 4.04Å; W525-F550 HydrophobicContact CZ3-CG 4.38Å; G546-F550 WeakPolarHBondContact O-CB 3.34Å; G546-F550 PolarHBondContact O-N 3.37Å; F547-F550 PolarHBondContact O-N 2.96Å; G548-F550 VanDerWaalsContact C-N 3.28Å; G548-F550 PolarHBondContact O-N 3.08Å; F550-E553 PolarHBondContact O-N 3.49Å; F550-H554 AromaticContact CD2-CE1 3.55Å; F550-H554 AromaticContact CD2-ND1 3.53Å; F550-H554 AromaticContact CE2-CE1 3.4Å; F550-H554 VanDerWaalsContact CE2-CE1 3.4Å; F550-H554 WeakPolarHBondContact CE2-CE1 3.39Å; F550-H554 AromaticContact CE2-ND1 3.5Å; F550-H554 WeakPolarHBondContact CE2-ND1 3.32Å; F550-H554 AromaticContact CE2-NE2 3.91Å; F550-H554 AromaticContact CZ-ND1 3.97Å; F550-H554 PolarHBondContact O-N 2.63Å; F550-H554 VanDerWaalsContact O-N 3.14Å; F550-H554 PolarHBondContact O-ND1 2.7Å; F550-L608 HydrophobicContact CE1-CD2 3.94Å; F550-L608 HydrophobicContact CE1-CG 3.9Å; F550-L608 HydrophobicContact CZ-CD1 4.31Å; F550-L608 HydrophobicContact CZ-CD2 4.45Å; F550-L608 HydrophobicContact CZ-CG 4.12Å; F550-L609 HydrophobicContact CD1-CD2 4.16Å; F550-L609 HydrophobicContact CE1-CD2 3.85Å; F550-L614 HydrophobicContact CE2-CD2 4.09Å; F550-L614 HydrophobicContact CZ-CD2 3.73Å
551	I	95.7	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-42.8	178.5	-67.1	-64.2	0	0	0	111.5	F547 G548 E553 H554 V555 P558 I563 I565 L608 L609	F547-I551 HydrophobicContact CD1-CG1 4.39Å; F547-I551 HydrophobicContact CD2-CG1 4.24Å; F547-I551 HydrophobicContact CE1-CG1 3.92Å; F547-I551 HydrophobicContact CE2-CD1 4.04Å; F547-I551 HydrophobicContact CE2-CG1 3.76Å; F547-I551 HydrophobicContact CZ-CD1 4.08Å; F547-I551 HydrophobicContact CZ-CG1 3.59Å; F547-I551 WeakPolarHBondContact O-CG1 3.29Å; F547-I551 PolarHBondContact O-N 3.03Å; G548-I551 PolarHBondContact O-N 3.04Å; I551-E553 PolarHBondContact O-N 3.04Å; I551-H554 PolarHBondContact O-N 3.21Å; I551-V555 HydrophobicContact CD1-CG2 4.29Å; I551-V555 HydrophobicContact CG2-CB 4.09Å; I551-V555 HydrophobicContact CG2-CG2 4.01Å; I551-V555 WeakPolarHBondContact O-CB 3.29Å; I551-V555 PolarHBondContact O-N 3.04Å; I551-P558 HydrophobicContact CG2-CB 3.71Å; I551-P558 HydrophobicContact CG2-CG 3.89Å; I551-I563 HydrophobicContact CB-CG2 4.49Å; I551-I563 HydrophobicContact CG2-CB 4.2Å; I551-I563 HydrophobicContact CG2-CG1 4.43Å; I551-I563 HydrophobicContact CG2-CG2 3.94Å; I551-I565 HydrophobicContact CG2-CD1 4.39Å; I551-L608 HydrophobicContact CD1-CD2 4.27Å; I551-L609 HydrophobicContact CD1-CD2 4.49Å
552	E	93.6	Very high	94.9	Very high	112 Å²	112	21.9 Å²	21.9	52%	0.523	11%	0.106	S	C	.	.	H	α-helix	trans	-59.2	-34.6	178.2	-171.1	171.6	-135.1	0	0	112.2	G548 I565	G548-E552 WeakPolarHBondContact O-CB 3.27Å; G548-E552 PolarHBondContact O-N 2.89Å; E552-I565 HydrophobicContact CB-CD1 3.8Å; E552-I565 HydrophobicContact CG-CD1 4.48Å
553	E	91.7	Very high	94.8	Very high	54 Å²	54	22 Å²	22	25%	0.252	11%	0.106	S	C	.	.	H	α-helix	trans	-74.7	-40.4	176	175	173.9	-154.4	0	0	113.3	K273 C549 F550 I551 H649	K273-E553 VanDerWaalsContact CE-CD 3.47Å; K273-E553 WeakPolarHBondContact CE-OE1 3.45Å; K273-E553 WeakPolarHBondContact CE-OE2 3.29Å; K273-E553 IonicContact NZ-OE1 2.75Å; K273-E553 PolarHBondContact NZ-OE1 3.09Å; K273-E553 IonicContact NZ-OE2 2.69Å; K273-E553 PolarHBondContact NZ-OE2 3.07Å; C549-E553 PolarHBondContact O-N 2.86Å; F550-E553 PolarHBondContact O-N 3.49Å; I551-E553 PolarHBondContact O-N 3.04Å; E553-H649 PolarHBondContact O-CE1 3.27Å; E553-H649 PolarHBondContact O-ND1 2.84Å
554	H	91.8	Very high	94.9	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.023	10%	0.104	C	C	.	.	H	α-helix	trans	-99.9	-14.9	-167.7	-64.9	83.7	0	0	0	113.9	F550 I551 L608 F648 I650	F550-H554 AromaticContact CD2-CE1 3.55Å; F550-H554 AromaticContact CD2-ND1 3.53Å; F550-H554 AromaticContact CE2-CE1 3.4Å; F550-H554 VanDerWaalsContact CE2-CE1 3.4Å; F550-H554 WeakPolarHBondContact CE2-CE1 3.39Å; F550-H554 AromaticContact CE2-ND1 3.5Å; F550-H554 WeakPolarHBondContact CE2-ND1 3.32Å; F550-H554 AromaticContact CE2-NE2 3.91Å; F550-H554 AromaticContact CZ-ND1 3.97Å; F550-H554 PolarHBondContact O-N 2.63Å; F550-H554 VanDerWaalsContact O-N 3.14Å; F550-H554 PolarHBondContact O-ND1 2.7Å; I551-H554 PolarHBondContact O-N 3.21Å; H554-L608 HydrophobicContact CB-CD2 4.11Å; H554-F648 VanDerWaalsContact CA-O 3.23Å; H554-F648 WeakPolarHBondContact CA-O 3.38Å; H554-F648 VanDerWaalsContact CB-O 3.32Å; H554-F648 WeakPolarHBondContact CB-O 3.32Å; H554-F648 PolarHBondContact CD2-O 3.34Å; H554-F648 VanDerWaalsContact CD2-O 3.25Å; H554-F648 VanDerWaalsContact O-O 3.13Å; H554-I650 PolarHBondContact O-N 3.18Å
555	V	91.9	Very high	95	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-121.9	117.6	-177.2	-173.3	0	0	0	0	109.3	I551 D557 P558 Y561 L605 L608 I650	I551-V555 HydrophobicContact CD1-CG2 4.29Å; I551-V555 HydrophobicContact CG2-CB 4.09Å; I551-V555 HydrophobicContact CG2-CG2 4.01Å; I551-V555 WeakPolarHBondContact O-CB 3.29Å; I551-V555 PolarHBondContact O-N 3.04Å; V555-D557 VanDerWaalsContact C-N 3.34Å; V555-D557 PolarHBondContact O-N 2.78Å; V555-P558 HydrophobicContact CB-CG 4.28Å; V555-P558 HydrophobicContact CG1-CG 4.45Å; V555-P558 VanDerWaalsContact O-CD 3.31Å; V555-P558 WeakPolarHBondContact O-CD 3.48Å; V555-P558 WeakPolarHBondContact O-CG 3.48Å; V555-Y561 HydrophobicContact CG1-CD2 3.98Å; V555-Y561 HydrophobicContact CG1-CE2 4.4Å; V555-L605 HydrophobicContact CG1-CD2 4.45Å; V555-L605 HydrophobicContact CG2-CD2 3.99Å; V555-L608 HydrophobicContact CG2-CD2 3.93Å; V555-I650 HydrophobicContact CG2-CD1 4.31Å
556	E	88.5	Confident	95	Very high	117 Å²	117	22.6 Å²	22.6	55%	0.547	11%	0.109	S	C	.	.	S	Bend	trans	-64.6	-35.5	-174	-168.8	-176.2	178.6	0	0	113.3	I650 S651 R652	E556-I650 PolarHBondContact N-O 3.49Å; E556-S651 WeakPolarHBondContact OE2-CA 3.36Å; E556-R652 PolarHBondContact OE2-N 2.93Å; E556-R652 VanDerWaalsContact OE2-N 3.12Å
557	D	92.7	Very high	95.1	Very high	32 Å²	32	24.1 Å²	24.1	17%	0.171	12%	0.117	C	C	.	.			trans	-135	80	175.4	-179.8	4.9	0	0	0	111.1	V555 K559 S560 Y561 R697	V555-D557 VanDerWaalsContact C-N 3.34Å; V555-D557 PolarHBondContact O-N 2.78Å; D557-K559 PolarHBondContact O-N 3.34Å; D557-K559 PolarHBondContact OD1-N 2.97Å; D557-S560 PolarHBondContact O-N 2.85Å; D557-S560 PolarHBondContact O-OG 3.26Å; D557-S560 PolarHBondContact OD1-N 3.13Å; D557-S560 VanDerWaalsContact OD2-CB 3.3Å; D557-S560 WeakPolarHBondContact OD2-CB 3.43Å; D557-S560 PolarHBondContact OD2-OG 3.08Å; D557-Y561 WeakPolarHBondContact O-CD2 3.42Å; D557-R697 IonicContact OD2-CZ 3.78Å; D557-R697 IonicContact OD2-NH1 3.1Å; D557-R697 PolarHBondContact OD2-NH1 3.17Å; D557-R697 IonicContact OD2-NH2 3.92Å; D557-R697 PolarHBondContact OD2-NH2 3.49Å
558	P	94.3	Very high	95	Very high	22 Å²	22	25.7 Å²	25.7	14%	0.143	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.3	-35.9	-177.6	-27.5	36.9	0	0	0	113.2	I551 V555 S560 Y561 G562 I563 I565	I551-P558 HydrophobicContact CG2-CB 3.71Å; I551-P558 HydrophobicContact CG2-CG 3.89Å; V555-P558 HydrophobicContact CB-CG 4.28Å; V555-P558 HydrophobicContact CG1-CG 4.45Å; V555-P558 VanDerWaalsContact O-CD 3.31Å; V555-P558 WeakPolarHBondContact O-CD 3.48Å; V555-P558 WeakPolarHBondContact O-CG 3.48Å; P558-S560 VanDerWaalsContact C-N 3.33Å; P558-S560 PolarHBondContact O-N 3.46Å; P558-Y561 CarbonylContact O-C 3.56Å; P558-Y561 WeakPolarHBondContact O-CA 3.37Å; P558-Y561 PolarHBondContact O-N 2.8Å; P558-G562 PolarHBondContact O-N 3.04Å; P558-I563 CarbonylContact C-O 3.6Å; P558-I563 HydrophobicContact CB-CB 4.08Å; P558-I563 WeakPolarHBondContact CB-O 3.31Å; P558-I563 PolarHBondContact O-N 3.25Å; P558-I565 HydrophobicContact CB-CD1 4.2Å; P558-I565 HydrophobicContact CG-CD1 4.11Å
559	K	94.5	Very high	94.9	Very high	55 Å²	55	29.4 Å²	29.4	24%	0.239	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-62.6	-40.8	-176.9	-167.7	-170.6	-174	-165.9	0	111.6	D557 Y561 G562 I563 Y564 E586	D557-K559 PolarHBondContact O-N 3.34Å; D557-K559 PolarHBondContact OD1-N 2.97Å; K559-Y561 PolarHBondContact O-N 2.7Å; K559-G562 PolarHBondContact O-N 2.94Å; K559-I563 WeakPolarHBondContact CA-O 3.4Å; K559-I563 PolarHBondContact N-O 3.04Å; K559-Y564 HydrophobicContact CD-CE1 4.35Å; K559-Y564 HydrophobicContact CG-CD1 3.85Å; K559-Y564 HydrophobicContact CG-CE1 3.66Å; K559-E586 WeakPolarHBondContact CE-OE1 3.43Å; K559-E586 VanDerWaalsContact CE-OE2 3.23Å; K559-E586 WeakPolarHBondContact CE-OE2 3.48Å; K559-E586 IonicContact NZ-OE1 3.54Å; K559-E586 PolarHBondContact NZ-OE1 3.05Å; K559-E586 IonicContact NZ-OE2 3.37Å; K559-E586 PolarHBondContact NZ-OE2 2.88Å
560	S	92.9	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64	-19.6	176.1	71	0	0	0	0	114.1	D557 P558 R601 R697	D557-S560 PolarHBondContact O-N 2.85Å; D557-S560 PolarHBondContact O-OG 3.26Å; D557-S560 PolarHBondContact OD1-N 3.13Å; D557-S560 VanDerWaalsContact OD2-CB 3.3Å; D557-S560 WeakPolarHBondContact OD2-CB 3.43Å; D557-S560 PolarHBondContact OD2-OG 3.08Å; P558-S560 VanDerWaalsContact C-N 3.33Å; P558-S560 PolarHBondContact O-N 3.46Å; S560-R601 VanDerWaalsContact O-CD 3.29Å; S560-R601 WeakPolarHBondContact O-CD 3.34Å; S560-R601 PolarHBondContact O-NE 3.48Å; S560-R697 VanDerWaalsContact CB-NH1 3.31Å; S560-R697 PolarHBondContact OG-NH1 2.86Å
561	Y	94.8	Very high	94.8	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.082	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-101.5	14	174	-70.4	-94.9	0	0	0	112.8	V555 D557 P558 K559 I563 R601 T602 L605 I650	V555-Y561 HydrophobicContact CG1-CD2 3.98Å; V555-Y561 HydrophobicContact CG1-CE2 4.4Å; D557-Y561 WeakPolarHBondContact O-CD2 3.42Å; P558-Y561 CarbonylContact O-C 3.56Å; P558-Y561 WeakPolarHBondContact O-CA 3.37Å; P558-Y561 PolarHBondContact O-N 2.8Å; K559-Y561 PolarHBondContact O-N 2.7Å; Y561-I563 VanDerWaalsContact C-N 3.35Å; Y561-R601 HydrophobicContact CD1-CB 4.14Å; Y561-R601 WeakPolarHBondContact CD1-O 3.09Å; Y561-T602 WeakPolarHBondContact O-CA 3.36Å; Y561-T602 WeakPolarHBondContact O-CB 3.42Å; Y561-T602 PolarHBondContact O-OG1 2.95Å; Y561-L605 VanDerWaalsContact CB-CD1 3.43Å; Y561-L605 HydrophobicContact CD1-CD1 4.3Å; Y561-L605 HydrophobicContact CD1-CD2 3.82Å; Y561-L605 HydrophobicContact CD1-CG 3.76Å; Y561-L605 HydrophobicContact CE1-CD2 4.3Å; Y561-L605 HydrophobicContact CG-CD1 4.06Å; Y561-L605 HydrophobicContact CG-CD2 4.09Å; Y561-L605 HydrophobicContact CG-CG 4.02Å; Y561-I650 HydrophobicContact CE2-CG2 4.5Å
562	G	96.4	Very high	94.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.1	176.1	0	0	0	0	0	115	P538 S539 P558 K559	P538-G562 CarbonylContact C-O 3.59Å; P538-G562 VanDerWaalsContact CA-O 3.25Å; P538-G562 WeakPolarHBondContact CA-O 3.46Å; P538-G562 WeakPolarHBondContact CB-O 3.3Å; S539-G562 PolarHBondContact N-O 3.44Å; P558-G562 PolarHBondContact O-N 3.04Å; K559-G562 PolarHBondContact O-N 2.94Å
563	I	97.9	Very high	94.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111	174.1	-48.1	-57.5	0	0	0	109.3	T533 S539 T541 F547 I551 P558 K559 Y561 I565 T602 L605	T533-I563 HydrophobicContact CG2-CD1 4.26Å; T533-I563 WeakPolarHBondContact OG1-CD1 3.27Å; S539-I563 WeakPolarHBondContact O-CA 3.5Å; T541-I563 HydrophobicContact CG2-CG2 4.33Å; F547-I563 HydrophobicContact CE1-CG2 3.98Å; F547-I563 HydrophobicContact CZ-CD1 4.23Å; F547-I563 HydrophobicContact CZ-CG2 4.49Å; I551-I563 HydrophobicContact CB-CG2 4.49Å; I551-I563 HydrophobicContact CG2-CB 4.2Å; I551-I563 HydrophobicContact CG2-CG1 4.43Å; I551-I563 HydrophobicContact CG2-CG2 3.94Å; P558-I563 CarbonylContact C-O 3.6Å; P558-I563 HydrophobicContact CB-CB 4.08Å; P558-I563 WeakPolarHBondContact CB-O 3.31Å; P558-I563 PolarHBondContact O-N 3.25Å; K559-I563 WeakPolarHBondContact CA-O 3.4Å; K559-I563 PolarHBondContact N-O 3.04Å; Y561-I563 VanDerWaalsContact C-N 3.35Å; I563-I565 HydrophobicContact CG2-CG1 4.33Å; I563-T602 HydrophobicContact CD1-CG2 4.39Å; I563-L605 HydrophobicContact CG1-CD1 3.78Å
564	Y	98.4	Very high	95.1	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.8	178.8	-57.2	-96.8	0	0	0	109.2	L515 S539 V540 T541 K559 Y583 F587 Y590	L515-Y564 HydrophobicContact CD1-CD2 4.36Å; L515-Y564 HydrophobicContact CD1-CE2 4.28Å; S539-Y564 PolarHBondContact O-N 3.33Å; V540-Y564 CarbonylContact C-O 3.59Å; V540-Y564 VanDerWaalsContact CA-O 3.3Å; V540-Y564 WeakPolarHBondContact CA-O 3.26Å; V540-Y564 HydrophobicContact CG2-CD2 4.31Å; V540-Y564 HydrophobicContact CG2-CG 4.43Å; T541-Y564 PolarHBondContact N-O 2.9Å; K559-Y564 HydrophobicContact CD-CE1 4.35Å; K559-Y564 HydrophobicContact CG-CD1 3.85Å; K559-Y564 HydrophobicContact CG-CE1 3.66Å; Y564-Y583 AromaticContact CD1-CD1 3.69Å; Y564-Y583 HydrophobicContact CD1-CD1 3.69Å; Y564-Y583 HydrophobicContact CD1-CD2 4.36Å; Y564-Y583 HydrophobicContact CD1-CE1 4.2Å; Y564-Y583 AromaticContact CD1-CG 3.79Å; Y564-Y583 HydrophobicContact CD1-CG 3.79Å; Y564-Y583 HydrophobicContact CE1-CD1 4.38Å; Y564-Y583 HydrophobicContact CG-CG 4.31Å; Y564-F587 HydrophobicContact CE2-CD2 4.34Å; Y564-Y590 WeakPolarHBondContact OH-CE2 3.46Å
565	I	98.3	Very high	95.4	Very high	22 Å²	22	45.4 Å²	45.4	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.9	-177.5	-52.9	-179.3	0	0	0	108.3	T541 N543 I551 E552 P558 I563 Y583	T541-I565 HydrophobicContact CG2-CG1 4.04Å; N543-I565 HydrophobicContact CB-CG2 4.14Å; I551-I565 HydrophobicContact CG2-CD1 4.39Å; E552-I565 HydrophobicContact CB-CD1 3.8Å; E552-I565 HydrophobicContact CG-CD1 4.48Å; P558-I565 HydrophobicContact CB-CD1 4.2Å; P558-I565 HydrophobicContact CG-CD1 4.11Å; I563-I565 HydrophobicContact CG2-CG1 4.33Å; I565-Y583 PolarHBondContact O-OH 3.13Å
566	V	98.4	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.6	173.7	177.3	0	0	0	0	108.8	V540 T541 T542 N543 R568 L580 Y583	V540-V566 HydrophobicContact CG1-CG2 3.67Å; T541-V566 PolarHBondContact O-N 3.26Å; T542-V566 VanDerWaalsContact CA-O 3.23Å; T542-V566 WeakPolarHBondContact CA-O 3.45Å; T542-V566 HydrophobicContact CG2-CB 4.38Å; N543-V566 PolarHBondContact N-O 3.38Å; N543-V566 VanDerWaalsContact N-O 3.16Å; N543-V566 PolarHBondContact OD1-O 3.36Å; V566-R568 HydrophobicContact CG1-CG 4.07Å; V566-R568 PolarHBondContact O-N 2.93Å; V566-L580 HydrophobicContact CG2-CB 4.14Å; V566-L580 HydrophobicContact CG2-CD1 4.17Å; V566-Y583 HydrophobicContact CG2-CD2 3.95Å; V566-Y583 HydrophobicContact CG2-CE2 4Å
567	D	98	Very high	96.2	Very high	31 Å²	31	40 Å²	40	17%	0.166	20%	0.2	C	C	.	.			trans	-78.9	108	172.6	-173.1	-2	0	0	0	108.9	N543 R569 F570 Q571 S576	N543-D567 PolarHBondContact ND2-OD1 2.84Å; D567-R569 PolarHBondContact OD1-N 3.42Å; D567-F570 PolarHBondContact OD1-N 2.6Å; D567-Q571 HydrophobicContact CB-CG 4.09Å; D567-S576 PolarHBondContact O-OG 2.76Å
568	R	96.4	Very high	96.5	Very high	33 Å²	33	42.7 Å²	42.7	13%	0.125	21%	0.212	C	C	.	.			trans	-111	-2.2	173.2	-71	-156.8	67.4	176.1	-3.4	112.5	P519 T542 N543 L544 V566	P519-R568 WeakPolarHBondContact O-CD 3.43Å; P519-R568 PolarHBondContact O-NH1 3.22Å; T542-R568 HydrophobicContact CG2-CG 3.87Å; N543-R568 PolarHBondContact OD1-N 2.99Å; L544-R568 HydrophobicContact CD1-CB 3.73Å; L544-R568 WeakPolarHBondContact CD1-O 3.31Å; L544-R568 HydrophobicContact CG-CB 4.17Å; V566-R568 HydrophobicContact CG1-CG 4.07Å; V566-R568 PolarHBondContact O-N 2.93Å
569	R	95.1	Very high	96.7	Very high	79 Å²	79	43.5 Å²	43.5	30%	0.298	21%	0.213	S	C	.	.	S	Bend	trans	-96.2	-41.6	-174.8	-173.8	172.3	174.9	-174.8	-5.8	112.1	N543 L544 D567	N543-R569 PolarHBondContact OD1-N 3.15Å; L544-R569 HydrophobicContact CD2-CB 3.73Å; L544-R569 HydrophobicContact CD2-CG 3.9Å; L544-R569 HydrophobicContact CG-CB 4.13Å; D567-R569 PolarHBondContact OD1-N 3.42Å
570	F	95.7	Very high	96.9	Very high	147 Å²	147	40.9 Å²	40.9	65%	0.645	20%	0.202	S	C	*	.	S	Bend	trans	-111.6	5.1	-173.7	-49.1	-67.7	0	0	0	112.8	D567	D567-F570 PolarHBondContact OD1-N 2.6Å
571	Q	94.2	Very high	97.2	Very high	72 Å²	72	40.9 Å²	40.9	34%	0.336	20%	0.202	S	C	.	.	S	Bend	trans	-120.4	156.9	-178.7	-73.2	-174.8	8.4	0	0	112.1	D567 D575	D567-Q571 HydrophobicContact CB-CG 4.09Å; Q571-D575 HydrophobicContact CB-CB 4.07Å; Q571-D575 HydrophobicContact CG-CB 4.43Å
572	S	95.4	Very high	97.3	Very high	57 Å²	57	46.7 Å²	46.7	40%	0.399	23%	0.228	S	C	.	.			trans	-68	159	170.5	78.9	0	0	0	0	110.7	E574 D575 S576	S572-E574 PolarHBondContact O-N 3.02Å; S572-D575 WeakPolarHBondContact CB-OD2 3.39Å; S572-D575 PolarHBondContact O-N 3.02Å; S572-D575 PolarHBondContact OG-N 3.13Å; S572-D575 PolarHBondContact OG-OD2 2.69Å; S572-S576 PolarHBondContact O-N 3.02Å; S572-S576 PolarHBondContact O-OG 2.99Å
573	C	94.8	Very high	97.4	Very high	77 Å²	77	48.5 Å²	48.5	52%	0.52	24%	0.235	S	C	.	.	H	α-helix	trans	-55.3	-39.2	175.9	-173.8	0	0	0	0	112	S576 V577	C573-S576 PolarHBondContact O-N 3.3Å; C573-V577 VanDerWaalsContact O-CG2 3.22Å; C573-V577 WeakPolarHBondContact O-CG2 3.05Å; C573-V577 PolarHBondContact O-N 3.13Å
574	E	97.5	Very high	97.5	Very high	98 Å²	98	48.5 Å²	48.5	46%	0.458	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-44.3	179.2	178	55.1	-153.8	0	0	112.4	R361 S572 V577 Q578	R361-E574 IonicContact CZ-OE1 3.45Å; R361-E574 IonicContact CZ-OE2 2.68Å; R361-E574 IonicContact NH1-OE1 2.64Å; R361-E574 PolarHBondContact NH1-OE1 3.48Å; R361-E574 IonicContact NH1-OE2 2.66Å; R361-E574 IonicContact NH2-OE1 3.42Å; R361-E574 PolarHBondContact NH2-OE1 3.23Å; R361-E574 IonicContact NH2-OE2 2.87Å; R361-E574 PolarHBondContact NH2-OE2 2.92Å; S572-E574 PolarHBondContact O-N 3.02Å; E574-V577 PolarHBondContact O-N 3.06Å; E574-Q578 WeakPolarHBondContact O-CB 3.41Å; E574-Q578 PolarHBondContact O-N 2.9Å
575	D	98.1	Very high	97.5	Very high	84 Å²	84	49.7 Å²	49.7	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-40.3	178	-62.5	-45.7	0	0	0	110.9	Q571 S572 V577 Q578 Q579	Q571-D575 HydrophobicContact CB-CB 4.07Å; Q571-D575 HydrophobicContact CG-CB 4.43Å; S572-D575 WeakPolarHBondContact CB-OD2 3.39Å; S572-D575 PolarHBondContact O-N 3.02Å; S572-D575 PolarHBondContact OG-N 3.13Å; S572-D575 PolarHBondContact OG-OD2 2.69Å; D575-V577 PolarHBondContact O-N 2.76Å; D575-Q578 PolarHBondContact O-N 2.79Å; D575-Q579 WeakPolarHBondContact O-CB 3.35Å; D575-Q579 PolarHBondContact O-N 3.41Å
576	S	98.2	Very high	97.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-41.8	173.8	-57.9	0	0	0	0	112.1	D567 S572 C573 Q579 L580	D567-S576 PolarHBondContact O-OG 2.76Å; S572-S576 PolarHBondContact O-N 3.02Å; S572-S576 PolarHBondContact O-OG 2.99Å; C573-S576 PolarHBondContact O-N 3.3Å; S576-Q579 PolarHBondContact O-N 2.65Å; S576-L580 WeakPolarHBondContact O-CB 3.45Å; S576-L580 PolarHBondContact O-N 2.69Å
577	V	98.6	Very high	97.4	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-44.4	175	178	0	0	0	0	109.9	I354 E357 A358 C573 E574 D575 Q579 L580 T581	I354-V577 HydrophobicContact CB-CG2 4.23Å; I354-V577 HydrophobicContact CD1-CG2 4.25Å; I354-V577 HydrophobicContact CG1-CG2 3.95Å; I354-V577 HydrophobicContact CG2-CG2 3.84Å; E357-V577 HydrophobicContact CB-CG1 4.02Å; E357-V577 HydrophobicContact CG-CG1 3.86Å; A358-V577 HydrophobicContact CB-CG1 4.23Å; C573-V577 VanDerWaalsContact O-CG2 3.22Å; C573-V577 WeakPolarHBondContact O-CG2 3.05Å; C573-V577 PolarHBondContact O-N 3.13Å; E574-V577 PolarHBondContact O-N 3.06Å; D575-V577 PolarHBondContact O-N 2.76Å; V577-Q579 PolarHBondContact O-N 2.95Å; V577-L580 PolarHBondContact O-N 2.76Å; V577-T581 PolarHBondContact O-N 3.23Å; V577-T581 PolarHBondContact O-OG1 3.3Å; V577-T581 VanDerWaalsContact O-OG1 3.1Å
578	Q	98.5	Very high	97.4	Very high	89 Å²	89	49.2 Å²	49.2	42%	0.416	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-40.7	179	-171.3	62	18.2	0	0	112.3	E574 D575 T581 K582	E574-Q578 WeakPolarHBondContact O-CB 3.41Å; E574-Q578 PolarHBondContact O-N 2.9Å; D575-Q578 PolarHBondContact O-N 2.79Å; Q578-T581 PolarHBondContact O-N 3.37Å; Q578-K582 PolarHBondContact O-N 2.89Å
579	Q	98.6	Very high	97.4	Very high	38 Å²	38	54.6 Å²	54.6	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-44.8	174.9	-171.9	-174.5	20.7	0	0	111.3	D575 S576 V577 T581 K582 Y583	D575-Q579 WeakPolarHBondContact O-CB 3.35Å; D575-Q579 PolarHBondContact O-N 3.41Å; S576-Q579 PolarHBondContact O-N 2.65Å; V577-Q579 PolarHBondContact O-N 2.95Å; Q579-T581 PolarHBondContact O-N 2.84Å; Q579-K582 WeakPolarHBondContact O-CB 3.45Å; Q579-K582 PolarHBondContact O-N 2.99Å; Q579-Y583 HydrophobicContact CG-CD2 4.41Å; Q579-Y583 HydrophobicContact CG-CE2 3.79Å; Q579-Y583 PolarHBondContact NE2-OH 2.9Å; Q579-Y583 PolarHBondContact O-N 3.17Å; Q579-Y583 VanDerWaalsContact O-N 3.08Å
580	L	98.7	Very high	97.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-49.2	174.4	177.1	59.2	0	0	0	110.7	I354 A358 V517 P519 V540 V566 S576 V577 K582 Y583 L584	I354-L580 HydrophobicContact CG2-CD2 3.71Å; A358-L580 HydrophobicContact CB-CB 4.17Å; A358-L580 HydrophobicContact CB-CD2 3.55Å; A358-L580 HydrophobicContact CB-CG 3.69Å; V517-L580 HydrophobicContact CG1-CD1 3.84Å; V517-L580 HydrophobicContact CG1-CD2 4.41Å; P519-L580 HydrophobicContact CB-CD2 4.04Å; P519-L580 HydrophobicContact CG-CD2 4.07Å; V540-L580 HydrophobicContact CB-CD1 4.4Å; V540-L580 HydrophobicContact CG1-CD1 3.71Å; V540-L580 HydrophobicContact CG2-CD1 4.45Å; V566-L580 HydrophobicContact CG2-CB 4.14Å; V566-L580 HydrophobicContact CG2-CD1 4.17Å; S576-L580 WeakPolarHBondContact O-CB 3.45Å; S576-L580 PolarHBondContact O-N 2.69Å; V577-L580 PolarHBondContact O-N 2.76Å; L580-K582 VanDerWaalsContact C-N 3.27Å; L580-K582 PolarHBondContact O-N 3.37Å; L580-Y583 PolarHBondContact O-N 2.82Å; L580-Y583 VanDerWaalsContact O-N 3.12Å; L580-L584 HydrophobicContact CD1-CD1 4.45Å; L580-L584 HydrophobicContact CD1-CD2 4.4Å; L580-L584 HydrophobicContact CD1-CG 4.23Å; L580-L584 HydrophobicContact CG-CD1 4.28Å; L580-L584 HydrophobicContact CG-CG 4.44Å; L580-L584 WeakPolarHBondContact O-CG 3.1Å; L580-L584 PolarHBondContact O-N 2.88Å
581	T	98.7	Very high	97.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-43.3	175.9	-63.4	0	0	0	0	111.5	A358 R361 V577 Q578 Q579 Y583 L584 V585	A358-T581 WeakPolarHBondContact CA-OG1 3.35Å; A358-T581 PolarHBondContact O-OG1 3.2Å; R361-T581 HydrophobicContact CB-CG2 3.71Å; V577-T581 PolarHBondContact O-N 3.23Å; V577-T581 PolarHBondContact O-OG1 3.3Å; V577-T581 VanDerWaalsContact O-OG1 3.1Å; Q578-T581 PolarHBondContact O-N 3.37Å; Q579-T581 PolarHBondContact O-N 2.84Å; T581-Y583 PolarHBondContact O-N 2.91Å; T581-L584 PolarHBondContact O-N 2.95Å; T581-V585 HydrophobicContact CG2-CG2 4.18Å; T581-V585 VanDerWaalsContact O-CG2 3.31Å; T581-V585 WeakPolarHBondContact O-CG2 3.34Å; T581-V585 PolarHBondContact O-N 3.19Å
582	K	98.4	Very high	97.5	Very high	142 Å²	142	50.2 Å²	50.2	62%	0.617	25%	0.25	S	S	*	.	H	α-helix	trans	-58.2	-45.9	177.1	-177.3	-178.6	177.2	-179.4	0	111.9	Q578 Q579 L580 V585 E586	Q578-K582 PolarHBondContact O-N 2.89Å; Q579-K582 WeakPolarHBondContact O-CB 3.45Å; Q579-K582 PolarHBondContact O-N 2.99Å; L580-K582 VanDerWaalsContact C-N 3.27Å; L580-K582 PolarHBondContact O-N 3.37Å; K582-V585 PolarHBondContact O-N 2.97Å; K582-E586 WeakPolarHBondContact O-CB 3.45Å; K582-E586 PolarHBondContact O-N 2.86Å
583	Y	98.4	Very high	97.5	Very high	39 Å²	39	55.3 Å²	55.3	15%	0.153	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-40.5	176.6	-65.4	-35.3	0	0	0	112.5	Y564 I565 V566 Q579 L580 T581 E586 F587	Y564-Y583 AromaticContact CD1-CD1 3.69Å; Y564-Y583 HydrophobicContact CD1-CD1 3.69Å; Y564-Y583 HydrophobicContact CD1-CD2 4.36Å; Y564-Y583 HydrophobicContact CD1-CE1 4.2Å; Y564-Y583 AromaticContact CD1-CG 3.79Å; Y564-Y583 HydrophobicContact CD1-CG 3.79Å; Y564-Y583 HydrophobicContact CE1-CD1 4.38Å; Y564-Y583 HydrophobicContact CG-CG 4.31Å; I565-Y583 PolarHBondContact O-OH 3.13Å; V566-Y583 HydrophobicContact CG2-CD2 3.95Å; V566-Y583 HydrophobicContact CG2-CE2 4Å; Q579-Y583 HydrophobicContact CG-CD2 4.41Å; Q579-Y583 HydrophobicContact CG-CE2 3.79Å; Q579-Y583 PolarHBondContact NE2-OH 2.9Å; Q579-Y583 PolarHBondContact O-N 3.17Å; Q579-Y583 VanDerWaalsContact O-N 3.08Å; L580-Y583 PolarHBondContact O-N 2.82Å; L580-Y583 VanDerWaalsContact O-N 3.12Å; T581-Y583 PolarHBondContact O-N 2.91Å; Y583-E586 PolarHBondContact O-N 3.07Å; Y583-F587 WeakPolarHBondContact O-CB 3.46Å; Y583-F587 PolarHBondContact O-N 2.86Å
584	L	98.6	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-39.2	177.6	-60.9	-178.6	0	0	0	112.3	F339 F355 A358 L359 L362 L515 V517 L580 T581 S588	F339-L584 HydrophobicContact CD2-CD2 4.03Å; F339-L584 HydrophobicContact CE2-CB 4.29Å; F339-L584 HydrophobicContact CE2-CD2 3.84Å; F355-L584 HydrophobicContact CE2-CD1 4.47Å; A358-L584 HydrophobicContact CB-CD1 4.18Å; L359-L584 HydrophobicContact CD2-CD1 4.48Å; L362-L584 HydrophobicContact CD1-CB 4.17Å; L362-L584 HydrophobicContact CD2-CB 3.95Å; L362-L584 HydrophobicContact CD2-CD1 4.32Å; L515-L584 HydrophobicContact CD2-CD2 3.67Å; V517-L584 HydrophobicContact CG1-CD2 4.47Å; V517-L584 HydrophobicContact CG2-CD2 3.89Å; L580-L584 HydrophobicContact CD1-CD1 4.45Å; L580-L584 HydrophobicContact CD1-CD2 4.4Å; L580-L584 HydrophobicContact CD1-CG 4.23Å; L580-L584 HydrophobicContact CG-CD1 4.28Å; L580-L584 HydrophobicContact CG-CG 4.44Å; L580-L584 WeakPolarHBondContact O-CG 3.1Å; L580-L584 PolarHBondContact O-N 2.88Å; T581-L584 PolarHBondContact O-N 2.95Å; L584-S588 WeakPolarHBondContact O-CB 3.47Å; L584-S588 PolarHBondContact O-N 3.36Å; L584-S588 VanDerWaalsContact O-N 3.07Å; L584-S588 PolarHBondContact O-OG 2.91Å
585	V	98.2	Very high	97.6	Very high	28 Å²	28	50.3 Å²	50.3	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-48.1	175.6	169.9	0	0	0	0	110.3	L362 H365 T581 K582 S588 Q589	L362-V585 HydrophobicContact CD1-CB 4.34Å; L362-V585 HydrophobicContact CD1-CG2 3.58Å; H365-V585 HydrophobicContact CB-CG2 3.95Å; T581-V585 HydrophobicContact CG2-CG2 4.18Å; T581-V585 VanDerWaalsContact O-CG2 3.31Å; T581-V585 WeakPolarHBondContact O-CG2 3.34Å; T581-V585 PolarHBondContact O-N 3.19Å; K582-V585 PolarHBondContact O-N 2.97Å; V585-S588 WeakPolarHBondContact O-CB 3.28Å; V585-S588 PolarHBondContact O-N 2.82Å; V585-Q589 WeakPolarHBondContact O-CG 3.29Å; V585-Q589 PolarHBondContact O-N 2.8Å
586	E	97.4	Very high	97.4	Very high	37 Å²	37	49.3 Å²	49.3	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-49.9	178.3	-178	-178.1	164.4	0	0	111.6	K559 K582 Y583 S588 Q589 Y590	K559-E586 WeakPolarHBondContact CE-OE1 3.43Å; K559-E586 VanDerWaalsContact CE-OE2 3.23Å; K559-E586 WeakPolarHBondContact CE-OE2 3.48Å; K559-E586 IonicContact NZ-OE1 3.54Å; K559-E586 PolarHBondContact NZ-OE1 3.05Å; K559-E586 IonicContact NZ-OE2 3.37Å; K559-E586 PolarHBondContact NZ-OE2 2.88Å; K582-E586 WeakPolarHBondContact O-CB 3.45Å; K582-E586 PolarHBondContact O-N 2.86Å; Y583-E586 PolarHBondContact O-N 3.07Å; E586-S588 PolarHBondContact O-N 3.45Å; E586-Q589 WeakPolarHBondContact O-CB 3.49Å; E586-Q589 PolarHBondContact O-N 2.81Å; E586-Y590 HydrophobicContact CG-CE1 4.12Å; E586-Y590 PolarHBondContact OE1-OH 3.37Å
587	F	97.9	Very high	97.2	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-34.9	178.9	-170.8	-84.6	0	0	0	112.2	L337 F339 H514 L515 P538 Y564 Y583 Q589 Y590 L598	L337-F587 HydrophobicContact CD1-CD1 4.21Å; L337-F587 HydrophobicContact CD1-CE1 4.35Å; F339-F587 AromaticContact CE1-CD1 3.66Å; F339-F587 HydrophobicContact CE1-CD1 3.66Å; F339-F587 AromaticContact CE1-CE1 3.86Å; F339-F587 HydrophobicContact CE1-CE1 3.86Å; F339-F587 AromaticContact CZ-CD1 3.83Å; F339-F587 HydrophobicContact CZ-CD1 3.83Å; F339-F587 HydrophobicContact CZ-CE1 4.48Å; H514-F587 HydrophobicContact CB-CE1 3.98Å; H514-F587 HydrophobicContact CB-CZ 4.22Å; H514-F587 VanDerWaalsContact O-CZ 3.23Å; H514-F587 WeakPolarHBondContact O-CZ 3.31Å; L515-F587 HydrophobicContact CB-CD1 4.41Å; L515-F587 HydrophobicContact CB-CE1 4.09Å; L515-F587 HydrophobicContact CB-CE2 4.5Å; L515-F587 HydrophobicContact CB-CZ 4.14Å; L515-F587 HydrophobicContact CD1-CD2 4.12Å; L515-F587 HydrophobicContact CD1-CE2 4.08Å; L515-F587 HydrophobicContact CD2-CB 4.4Å; L515-F587 HydrophobicContact CD2-CD1 4.29Å; L515-F587 HydrophobicContact CD2-CD2 4.45Å; L515-F587 HydrophobicContact CD2-CG 4.12Å; P538-F587 HydrophobicContact CB-CE2 4.07Å; P538-F587 HydrophobicContact CG-CE2 4.16Å; Y564-F587 HydrophobicContact CE2-CD2 4.34Å; Y583-F587 WeakPolarHBondContact O-CB 3.46Å; Y583-F587 PolarHBondContact O-N 2.86Å; F587-Q589 PolarHBondContact O-N 3.05Å; F587-Y590 HydrophobicContact CD2-CD2 4.09Å; F587-Y590 HydrophobicContact CD2-CE2 4.2Å; F587-Y590 HydrophobicContact CE2-CD2 4.47Å; F587-Y590 HydrophobicContact CG-CD2 4.5Å; F587-Y590 PolarHBondContact O-N 3.04Å; F587-L598 HydrophobicContact CD2-CD2 4.26Å; F587-L598 HydrophobicContact CE2-CD2 3.86Å
588	S	97.5	Very high	97.1	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-18.7	177.9	-59.6	0	0	0	0	113.4	L584 V585 E586	L584-S588 WeakPolarHBondContact O-CB 3.47Å; L584-S588 PolarHBondContact O-N 3.36Å; L584-S588 VanDerWaalsContact O-N 3.07Å; L584-S588 PolarHBondContact O-OG 2.91Å; V585-S588 WeakPolarHBondContact O-CB 3.28Å; V585-S588 PolarHBondContact O-N 2.82Å; E586-S588 PolarHBondContact O-N 3.45Å
589	Q	96.1	Very high	97	Very high	146 Å²	146	46.2 Å²	46.2	68%	0.682	21%	0.208	S	C	*	.	H	α-helix	trans	-88.1	-12.8	178.1	-66.7	169.6	-5.8	0	0	113.1	V585 E586 F587 S591	V585-Q589 WeakPolarHBondContact O-CG 3.29Å; V585-Q589 PolarHBondContact O-N 2.8Å; E586-Q589 WeakPolarHBondContact O-CB 3.49Å; E586-Q589 PolarHBondContact O-N 2.81Å; F587-Q589 PolarHBondContact O-N 3.05Å; Q589-S591 PolarHBondContact O-N 2.97Å
590	Y	96.4	Very high	96.7	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.071	21%	0.21	C	C	.	.			trans	-66.2	136.2	-179.1	-69.8	-12.8	0	0	0	112.4	Y564 E586 F587 Q594 R595 L598	Y564-Y590 WeakPolarHBondContact OH-CE2 3.46Å; E586-Y590 HydrophobicContact CG-CE1 4.12Å; E586-Y590 PolarHBondContact OE1-OH 3.37Å; F587-Y590 HydrophobicContact CD2-CD2 4.09Å; F587-Y590 HydrophobicContact CD2-CE2 4.2Å; F587-Y590 HydrophobicContact CE2-CD2 4.47Å; F587-Y590 HydrophobicContact CG-CD2 4.5Å; F587-Y590 PolarHBondContact O-N 3.04Å; Y590-Q594 HydrophobicContact CG-CB 4.3Å; Y590-R595 PolarHBondContact O-NH1 2.9Å; Y590-L598 HydrophobicContact CD2-CD2 4.25Å; Y590-L598 HydrophobicContact CE2-CD2 3.86Å
591	S	96.5	Very high	96.4	Very high	55 Å²	55	46.5 Å²	46.5	39%	0.385	21%	0.21	S	C	.	.			trans	-67.6	165.2	170.1	69	0	0	0	0	112.1	Q589 R593 Q594 R595	Q589-S591 PolarHBondContact O-N 2.97Å; S591-R593 VanDerWaalsContact C-N 3.25Å; S591-R593 PolarHBondContact O-N 3.48Å; S591-Q594 PolarHBondContact O-N 3.07Å; S591-Q594 WeakPolarHBondContact OG-CG 3.44Å; S591-Q594 PolarHBondContact OG-N 3.36Å; S591-Q594 PolarHBondContact OG-OE1 3.26Å; S591-R595 WeakPolarHBondContact O-CG 3.24Å; S591-R595 PolarHBondContact O-N 2.89Å
592	R	95.7	Very high	96.2	Very high	133 Å²	133	46.4 Å²	46.4	50%	0.502	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-40.3	174.9	-176.1	177.9	-68.5	-169.4	-4.9	112	D334 R595 I596	D334-R592 VanDerWaalsContact CG-NH2 3.34Å; D334-R592 IonicContact OD1-CZ 2.65Å; D334-R592 IonicContact OD1-NH2 3.81Å; D334-R592 PolarHBondContact OD1-NH2 3.28Å; R592-R595 PolarHBondContact O-N 3.42Å; R592-I596 HydrophobicContact CG-CD1 4.21Å; R592-I596 WeakPolarHBondContact O-CG1 3.47Å; R592-I596 PolarHBondContact O-N 3.5Å; R592-I596 VanDerWaalsContact O-N 3.11Å
593	R	95.1	Very high	95.9	Very high	163 Å²	163	41 Å²	41	62%	0.615	19%	0.187	S	C	*	.	H	α-helix	trans	-64	-50.2	177.9	-177.6	175.6	178.1	146.4	0.3	111.4	S591 R595 I596 V597 E699	S591-R593 VanDerWaalsContact C-N 3.25Å; S591-R593 PolarHBondContact O-N 3.48Å; R593-R595 VanDerWaalsContact C-N 3.29Å; R593-R595 PolarHBondContact O-N 3.36Å; R593-I596 WeakPolarHBondContact O-CB 3.37Å; R593-I596 PolarHBondContact O-N 2.85Å; R593-V597 PolarHBondContact O-N 3.04Å; R593-E699 IonicContact CZ-OE1 2.7Å; R593-E699 IonicContact CZ-OE2 3.87Å; R593-E699 VanDerWaalsContact NE-CD 3.34Å; R593-E699 IonicContact NE-OE1 3.93Å; R593-E699 PolarHBondContact NE-OE1 3.29Å; R593-E699 IonicContact NE-OE2 2.78Å; R593-E699 PolarHBondContact NE-OE2 2.94Å; R593-E699 IonicContact NH2-OE1 3.58Å; R593-E699 PolarHBondContact NH2-OE1 3Å; R593-E699 IonicContact NH2-OE2 3.83Å
594	Q	96.3	Very high	95.5	Very high	45 Å²	45	41.7 Å²	41.7	21%	0.21	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-42.3	176.5	-77.8	166.5	-39.7	0	0	112.2	Y590 S591 I596 V597 L598 E699 L700	Y590-Q594 HydrophobicContact CG-CB 4.3Å; S591-Q594 PolarHBondContact O-N 3.07Å; S591-Q594 WeakPolarHBondContact OG-CG 3.44Å; S591-Q594 PolarHBondContact OG-N 3.36Å; S591-Q594 PolarHBondContact OG-OE1 3.26Å; Q594-I596 PolarHBondContact O-N 3.21Å; Q594-V597 PolarHBondContact O-N 2.88Å; Q594-L598 WeakPolarHBondContact O-CB 3.45Å; Q594-L598 PolarHBondContact O-N 2.94Å; Q594-E699 WeakPolarHBondContact CG-O 3.27Å; Q594-E699 PolarHBondContact NE2-O 3.03Å; Q594-L700 HydrophobicContact CB-CD2 4.16Å; Q594-L700 HydrophobicContact CG-CD2 4.47Å; Q594-L700 WeakPolarHBondContact O-CD2 3.46Å
595	R	96.7	Very high	95.1	Very high	25 Å²	25	41.7 Å²	41.7	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-37.4	176.5	-66.5	-169.8	-55.4	-100.4	10.8	113	Y590 S591 R592 R593 R599	Y590-R595 PolarHBondContact O-NH1 2.9Å; S591-R595 WeakPolarHBondContact O-CG 3.24Å; S591-R595 PolarHBondContact O-N 2.89Å; R592-R595 PolarHBondContact O-N 3.42Å; R593-R595 VanDerWaalsContact C-N 3.29Å; R593-R595 PolarHBondContact O-N 3.36Å; R595-R599 WeakPolarHBondContact O-CB 3.36Å; R595-R599 WeakPolarHBondContact O-CG 3.37Å; R595-R599 PolarHBondContact O-N 3.19Å
596	I	95.1	Very high	94.7	Very high	64 Å²	64	40.4 Å²	40.4	33%	0.328	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-47.9	175.5	-69.2	162	0	0	0	110.2	Q307 R592 R593 Q594 L598 R599 N600	Q307-I596 PolarHBondContact NE2-O 2.92Å; R592-I596 HydrophobicContact CG-CD1 4.21Å; R592-I596 WeakPolarHBondContact O-CG1 3.47Å; R592-I596 PolarHBondContact O-N 3.5Å; R592-I596 VanDerWaalsContact O-N 3.11Å; R593-I596 WeakPolarHBondContact O-CB 3.37Å; R593-I596 PolarHBondContact O-N 2.85Å; Q594-I596 PolarHBondContact O-N 3.21Å; I596-L598 PolarHBondContact O-N 3.29Å; I596-R599 VanDerWaalsContact CG1-NH2 3.32Å; I596-R599 PolarHBondContact O-N 2.96Å; I596-N600 PolarHBondContact O-N 3.1Å
597	V	94.9	Very high	94.2	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-47.8	177.6	172.8	0	0	0	0	110.7	R593 Q594 R599 N600 R601 E696 L700	R593-V597 PolarHBondContact O-N 3.04Å; Q594-V597 PolarHBondContact O-N 2.88Å; V597-R599 VanDerWaalsContact C-N 3.31Å; V597-R599 PolarHBondContact O-N 2.77Å; V597-N600 WeakPolarHBondContact O-CB 3.34Å; V597-N600 PolarHBondContact O-N 3.35Å; V597-N600 VanDerWaalsContact O-N 3.13Å; V597-R601 WeakPolarHBondContact O-CG 3.22Å; V597-R601 PolarHBondContact O-N 3.18Å; V597-E696 HydrophobicContact CG1-CB 3.63Å; V597-E696 HydrophobicContact CG1-CG 3.74Å; V597-L700 HydrophobicContact CG1-CD1 4.28Å; V597-L700 HydrophobicContact CG1-CG 4.24Å
598	L	95.6	Very high	93.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-40.8	178.9	-168.9	67.1	0	0	0	112.1	P538 F587 Y590 Q594 I596 R601 T602 L700	P538-L598 HydrophobicContact CB-CD2 4.22Å; P538-L598 HydrophobicContact CG-CD2 3.8Å; P538-L598 HydrophobicContact CG-CG 3.98Å; F587-L598 HydrophobicContact CD2-CD2 4.26Å; F587-L598 HydrophobicContact CE2-CD2 3.86Å; Y590-L598 HydrophobicContact CD2-CD2 4.25Å; Y590-L598 HydrophobicContact CE2-CD2 3.86Å; Q594-L598 WeakPolarHBondContact O-CB 3.45Å; Q594-L598 PolarHBondContact O-N 2.94Å; I596-L598 PolarHBondContact O-N 3.29Å; L598-R601 PolarHBondContact O-N 2.8Å; L598-T602 WeakPolarHBondContact O-CB 3.44Å; L598-T602 PolarHBondContact O-N 3.1Å; L598-T602 PolarHBondContact O-OG1 3.26Å; L598-L700 HydrophobicContact CB-CD2 4.04Å; L598-L700 HydrophobicContact CD1-CD1 4Å; L598-L700 HydrophobicContact CD1-CD2 4.33Å
599	R	95.6	Very high	93.6	Very high	16 Å²	16	40.8 Å²	40.8	6%	0.06	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-41.8	174.5	-78.2	-160.8	-60.9	-95.8	0.6	112.7	F306 Q307 H310 G536 P538 R595 I596 V597 R601 T602 E603	F306-R599 HydrophobicContact CE2-CB 4.17Å; Q307-R599 VanDerWaalsContact OE1-CZ 3.27Å; H310-R599 PolarHBondContact CD2-NH2 3.2Å; H310-R599 PolarHBondContact NE2-NH1 3.16Å; G536-R599 WeakPolarHBondContact O-CA 3.49Å; G536-R599 VanDerWaalsContact O-CB 3.27Å; G536-R599 WeakPolarHBondContact O-CB 3.31Å; G536-R599 WeakPolarHBondContact O-CG 3.47Å; P538-R599 HydrophobicContact CG-CG 4.46Å; R595-R599 WeakPolarHBondContact O-CB 3.36Å; R595-R599 WeakPolarHBondContact O-CG 3.37Å; R595-R599 PolarHBondContact O-N 3.19Å; I596-R599 VanDerWaalsContact CG1-NH2 3.32Å; I596-R599 PolarHBondContact O-N 2.96Å; V597-R599 VanDerWaalsContact C-N 3.31Å; V597-R599 PolarHBondContact O-N 2.77Å; R599-R601 VanDerWaalsContact C-N 3.34Å; R599-R601 PolarHBondContact O-N 3.46Å; R599-T602 PolarHBondContact O-N 3.39Å; R599-E603 WeakPolarHBondContact O-CB 3.35Å; R599-E603 PolarHBondContact O-N 3.04Å
600	N	92.7	Very high	93.4	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-45.4	174.4	-68.2	-14.9	0	0	0	111.1	F306 Q307 I596 V597 E603 R604	F306-N600 WeakPolarHBondContact CZ-OD1 3.44Å; Q307-N600 PolarHBondContact NE2-OD1 2.99Å; I596-N600 PolarHBondContact O-N 3.1Å; V597-N600 WeakPolarHBondContact O-CB 3.34Å; V597-N600 PolarHBondContact O-N 3.35Å; V597-N600 VanDerWaalsContact O-N 3.13Å; N600-E603 PolarHBondContact O-N 3.39Å; N600-R604 WeakPolarHBondContact O-CG 3.26Å; N600-R604 PolarHBondContact O-N 3.41Å
601	R	93.2	Very high	93.2	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-42	176.3	-63.1	-176.4	85.2	118.8	14.4	111.7	S560 Y561 V597 L598 R599 E603 R604 D693 E696	S560-R601 VanDerWaalsContact O-CD 3.29Å; S560-R601 WeakPolarHBondContact O-CD 3.34Å; S560-R601 PolarHBondContact O-NE 3.48Å; Y561-R601 HydrophobicContact CD1-CB 4.14Å; Y561-R601 WeakPolarHBondContact CD1-O 3.09Å; V597-R601 WeakPolarHBondContact O-CG 3.22Å; V597-R601 PolarHBondContact O-N 3.18Å; L598-R601 PolarHBondContact O-N 2.8Å; R599-R601 VanDerWaalsContact C-N 3.34Å; R599-R601 PolarHBondContact O-N 3.46Å; R601-E603 VanDerWaalsContact C-N 3.31Å; R601-E603 PolarHBondContact O-N 2.88Å; R601-R604 WeakPolarHBondContact O-CB 3.42Å; R601-R604 PolarHBondContact O-N 2.7Å; R601-D693 IonicContact CZ-OD1 3.62Å; R601-D693 PolarHBondContact NH1-O 3.06Å; R601-D693 IonicContact NH2-OD1 2.99Å; R601-D693 PolarHBondContact NH2-OD1 3.39Å; R601-E696 WeakPolarHBondContact CG-OE2 3.37Å; R601-E696 VanDerWaalsContact NH1-CB 3.29Å; R601-E696 IonicContact NH1-OE2 3.23Å
602	T	94.5	Very high	92.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-44.6	177.1	-51.2	0	0	0	0	111.2	T533 Y561 I563 L598 R599 R604 L605	T533-T602 HydrophobicContact CG2-CG2 4.15Å; Y561-T602 WeakPolarHBondContact O-CA 3.36Å; Y561-T602 WeakPolarHBondContact O-CB 3.42Å; Y561-T602 PolarHBondContact O-OG1 2.95Å; I563-T602 HydrophobicContact CD1-CG2 4.39Å; L598-T602 WeakPolarHBondContact O-CB 3.44Å; L598-T602 PolarHBondContact O-N 3.1Å; L598-T602 PolarHBondContact O-OG1 3.26Å; R599-T602 PolarHBondContact O-N 3.39Å; T602-R604 VanDerWaalsContact C-N 3.3Å; T602-R604 PolarHBondContact O-N 3.04Å; T602-L605 WeakPolarHBondContact O-CB 3.45Å; T602-L605 PolarHBondContact O-N 2.9Å; T602-L605 VanDerWaalsContact O-N 3.12Å
603	E	91.2	Very high	92.6	Very high	28 Å²	28	33 Å²	33	13%	0.131	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-32.6	180	-167.9	-83.1	162.9	0	0	112.6	F306 R599 N600 R601 L605 S606	F306-E603 HydrophobicContact CD1-CG 3.98Å; F306-E603 HydrophobicContact CE1-CB 4.05Å; F306-E603 HydrophobicContact CE1-CG 3.91Å; F306-E603 HydrophobicContact CE2-CB 4.2Å; F306-E603 HydrophobicContact CE2-CG 4.47Å; F306-E603 HydrophobicContact CG-CG 4.33Å; F306-E603 HydrophobicContact CZ-CB 3.85Å; F306-E603 HydrophobicContact CZ-CG 4.16Å; R599-E603 WeakPolarHBondContact O-CB 3.35Å; R599-E603 PolarHBondContact O-N 3.04Å; N600-E603 PolarHBondContact O-N 3.39Å; R601-E603 VanDerWaalsContact C-N 3.31Å; R601-E603 PolarHBondContact O-N 2.88Å; E603-L605 PolarHBondContact O-N 3Å; E603-S606 WeakPolarHBondContact O-CB 3.34Å; E603-S606 PolarHBondContact O-N 3.46Å; E603-S606 PolarHBondContact O-OG 3.29Å
604	R	89.8	Confident	92.5	Very high	53 Å²	53	25.4 Å²	25.4	20%	0.2	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-25.5	174.4	-66.4	175.8	-166.2	145.8	19.5	113.5	Y13 N600 R601 T602 S606 D693 E696	Y13-R604 PolarHBondContact OH-O 3.12Å; N600-R604 WeakPolarHBondContact O-CG 3.26Å; N600-R604 PolarHBondContact O-N 3.41Å; R601-R604 WeakPolarHBondContact O-CB 3.42Å; R601-R604 PolarHBondContact O-N 2.7Å; T602-R604 VanDerWaalsContact C-N 3.3Å; T602-R604 PolarHBondContact O-N 3.04Å; R604-S606 PolarHBondContact O-N 2.95Å; R604-D693 IonicContact NH1-OD1 3.72Å; R604-D693 PolarHBondContact NH1-OD1 3.31Å; R604-E696 IonicContact CZ-OE1 2.76Å; R604-E696 IonicContact CZ-OE2 2.65Å; R604-E696 IonicContact NH1-OE1 3.8Å; R604-E696 IonicContact NH1-OE2 2.9Å; R604-E696 PolarHBondContact NH1-OE2 3.43Å; R604-E696 IonicContact NH2-OE1 3.95Å; R604-E696 PolarHBondContact NH2-OE1 3.44Å; R604-E696 IonicContact NH2-OE2 3.25Å; R604-E696 PolarHBondContact NH2-OE2 3.1Å; R604-E696 VanDerWaalsContact NH2-OE2 3.14Å
605	L	90.6	Very high	92.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-74.9	-12.5	174.7	-69.1	-175.4	0	0	0	113.1	T533 V555 Y561 I563 T602 E603 E607 L608 I650	T533-L605 HydrophobicContact CG2-CB 3.7Å; V555-L605 HydrophobicContact CG1-CD2 4.45Å; V555-L605 HydrophobicContact CG2-CD2 3.99Å; Y561-L605 VanDerWaalsContact CB-CD1 3.43Å; Y561-L605 HydrophobicContact CD1-CD1 4.3Å; Y561-L605 HydrophobicContact CD1-CD2 3.82Å; Y561-L605 HydrophobicContact CD1-CG 3.76Å; Y561-L605 HydrophobicContact CE1-CD2 4.3Å; Y561-L605 HydrophobicContact CG-CD1 4.06Å; Y561-L605 HydrophobicContact CG-CD2 4.09Å; Y561-L605 HydrophobicContact CG-CG 4.02Å; I563-L605 HydrophobicContact CG1-CD1 3.78Å; T602-L605 WeakPolarHBondContact O-CB 3.45Å; T602-L605 PolarHBondContact O-N 2.9Å; T602-L605 VanDerWaalsContact O-N 3.12Å; E603-L605 PolarHBondContact O-N 3Å; L605-E607 PolarHBondContact O-N 3.25Å; L605-L608 WeakPolarHBondContact O-CB 3Å; L605-L608 PolarHBondContact O-N 2.91Å; L605-L608 VanDerWaalsContact O-N 3.08Å; L605-I650 HydrophobicContact CD2-CD1 3.63Å
606	S	89.1	Confident	92	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.5	-37.7	180	65.8	0	0	0	0	112.1	V297 E603 R604 L608 L609 D610	V297-S606 WeakPolarHBondContact CG2-O 3.29Å; E603-S606 WeakPolarHBondContact O-CB 3.34Å; E603-S606 PolarHBondContact O-N 3.46Å; E603-S606 PolarHBondContact O-OG 3.29Å; R604-S606 PolarHBondContact O-N 2.95Å; S606-L608 VanDerWaalsContact C-N 3.29Å; S606-L608 PolarHBondContact O-N 3.24Å; S606-L609 PolarHBondContact O-N 2.81Å; S606-D610 PolarHBondContact O-N 3.04Å
607	E	87.6	Confident	91.9	Very high	44 Å²	44	22.3 Å²	22.3	21%	0.206	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-58.3	-40.2	178	-66.1	-171.9	-176	0	0	112.2	Y13 K299 L605 L609 D610 N613	Y13-E607 WeakPolarHBondContact CD2-OE2 3.37Å; Y13-E607 HydrophobicContact CE2-CB 4Å; Y13-E607 WeakPolarHBondContact CE2-OE2 3.41Å; K299-E607 WeakPolarHBondContact CE-OE1 3.47Å; K299-E607 IonicContact NZ-OE1 3.28Å; K299-E607 PolarHBondContact NZ-OE1 3.49Å; L605-E607 PolarHBondContact O-N 3.25Å; E607-L609 PolarHBondContact O-N 3.25Å; E607-D610 WeakPolarHBondContact O-CB 3.39Å; E607-D610 PolarHBondContact O-N 2.82Å; E607-D610 VanDerWaalsContact O-N 3.13Å; E607-N613 PolarHBondContact O-ND2 3.04Å
608	L	90.7	Very high	92	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29	178.8	-178	65.9	0	0	0	112.1	F550 I551 H554 V555 L605 S606 I650	F550-L608 HydrophobicContact CE1-CD2 3.94Å; F550-L608 HydrophobicContact CE1-CG 3.9Å; F550-L608 HydrophobicContact CZ-CD1 4.31Å; F550-L608 HydrophobicContact CZ-CD2 4.45Å; F550-L608 HydrophobicContact CZ-CG 4.12Å; I551-L608 HydrophobicContact CD1-CD2 4.27Å; H554-L608 HydrophobicContact CB-CD2 4.11Å; V555-L608 HydrophobicContact CG2-CD2 3.93Å; L605-L608 WeakPolarHBondContact O-CB 3Å; L605-L608 PolarHBondContact O-N 2.91Å; L605-L608 VanDerWaalsContact O-N 3.08Å; S606-L608 VanDerWaalsContact C-N 3.29Å; S606-L608 PolarHBondContact O-N 3.24Å; L608-I650 HydrophobicContact CB-CD1 4.49Å; L608-I650 HydrophobicContact CD2-CD1 4.08Å
609	L	92.3	Very high	91.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-93.4	-0.5	-177.4	-56.2	174	0	0	0	113.3	G294 L295 A530 T533 V534 F547 F550 I551 S606 E607	G294-L609 CarbonylContact C-O 3.53Å; G294-L609 WeakPolarHBondContact CA-O 3.32Å; L295-L609 PolarHBondContact N-O 2.8Å; A530-L609 HydrophobicContact CB-CD1 4.28Å; T533-L609 HydrophobicContact CG2-CD1 3.82Å; V534-L609 HydrophobicContact CG2-CD1 4.42Å; F547-L609 HydrophobicContact CD2-CD2 4.38Å; F547-L609 HydrophobicContact CE2-CD1 3.84Å; F547-L609 HydrophobicContact CE2-CD2 4.01Å; F550-L609 HydrophobicContact CD1-CD2 4.16Å; F550-L609 HydrophobicContact CE1-CD2 3.85Å; I551-L609 HydrophobicContact CD1-CD2 4.49Å; S606-L609 PolarHBondContact O-N 2.81Å; E607-L609 PolarHBondContact O-N 3.25Å
610	D	92.3	Very high	91.7	Very high	16 Å²	16	25.2 Å²	25.2	9%	0.086	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-76.4	143	-178.9	-168.1	-81.9	0	0	0	111.8	L295 V297 S606 E607 K612 N613 L614	L295-D610 WeakPolarHBondContact O-CA 3.49Å; V297-D610 HydrophobicContact CB-CB 4.33Å; V297-D610 WeakPolarHBondContact CB-OD2 3.38Å; V297-D610 HydrophobicContact CG2-CB 3.91Å; V297-D610 PolarHBondContact N-OD2 2.89Å; S606-D610 PolarHBondContact O-N 3.04Å; E607-D610 WeakPolarHBondContact O-CB 3.39Å; E607-D610 PolarHBondContact O-N 2.82Å; E607-D610 VanDerWaalsContact O-N 3.13Å; D610-K612 PolarHBondContact O-N 2.81Å; D610-K612 VanDerWaalsContact O-N 3.15Å; D610-K612 WeakPolarHBondContact OD1-CB 3.26Å; D610-K612 WeakPolarHBondContact OD1-CD 3.42Å; D610-K612 WeakPolarHBondContact OD1-CG 3.27Å; D610-K612 PolarHBondContact OD1-N 3.13Å; D610-N613 PolarHBondContact O-N 3.36Å; D610-L614 PolarHBondContact O-N 2.98Å
611	W	92.8	Very high	91.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.9	-23.7	175.8	-79.9	119.7	0	0	0	113.9	V54 T57 K58 S61 G294 L295 N613 L614 S615 Y618	V54-W611 HydrophobicContact CG1-CH2 4.1Å; V54-W611 HydrophobicContact CG1-CZ2 3.97Å; T57-W611 PolarHBondContact OG1-NE1 2.76Å; K58-W611 HydrophobicContact CB-CD2 3.92Å; K58-W611 HydrophobicContact CB-CE3 4.32Å; K58-W611 HydrophobicContact CB-CG 4.45Å; K58-W611 HydrophobicContact CB-CH2 4.19Å; K58-W611 HydrophobicContact CB-CZ2 3.75Å; K58-W611 HydrophobicContact CB-CZ3 4.46Å; K58-W611 HydrophobicContact CD-CE3 4.09Å; K58-W611 HydrophobicContact CD-CH2 3.75Å; K58-W611 HydrophobicContact CD-CZ2 4.2Å; K58-W611 HydrophobicContact CD-CZ3 3.69Å; K58-W611 HydrophobicContact CG-CD2 3.94Å; K58-W611 HydrophobicContact CG-CE3 3.88Å; K58-W611 HydrophobicContact CG-CH2 4.15Å; K58-W611 HydrophobicContact CG-CZ2 4.2Å; K58-W611 HydrophobicContact CG-CZ3 4Å; S61-W611 VanDerWaalsContact OG-CB 3.31Å; S61-W611 WeakPolarHBondContact OG-CB 3.44Å; G294-W611 VanDerWaalsContact C-CE2 3.41Å; G294-W611 VanDerWaalsContact O-CE2 3.28Å; G294-W611 WeakPolarHBondContact O-CZ2 3.47Å; G294-W611 PolarHBondContact O-NE1 3.08Å; L295-W611 PolarHBondContact O-N 3.32Å; W611-N613 PolarHBondContact O-N 3.18Å; W611-L614 HydrophobicContact CE3-CB 4.11Å; W611-L614 HydrophobicContact CZ3-CB 4.31Å; W611-L614 PolarHBondContact O-N 2.96Å; W611-S615 WeakPolarHBondContact O-CA 3.17Å; W611-S615 WeakPolarHBondContact O-CB 3.49Å; W611-S615 PolarHBondContact O-N 2.95Å; W611-S615 PolarHBondContact O-OG 2.7Å; W611-Y618 AromaticContact CH2-CE2 3.86Å; W611-Y618 HydrophobicContact CH2-CE2 3.86Å; W611-Y618 HydrophobicContact CZ3-CD2 4.04Å; W611-Y618 AromaticContact CZ3-CE2 3.73Å; W611-Y618 HydrophobicContact CZ3-CE2 3.73Å
612	K	88.4	Confident	91.9	Very high	139 Å²	139	23.2 Å²	23.2	60%	0.604	11%	0.106	S	C	*	.	H	α-helix	trans	-57.9	-29.9	170.7	-71.4	168.8	-177.7	168.3	0	112.9	D610	D610-K612 PolarHBondContact O-N 2.81Å; D610-K612 VanDerWaalsContact O-N 3.15Å; D610-K612 WeakPolarHBondContact OD1-CB 3.26Å; D610-K612 WeakPolarHBondContact OD1-CD 3.42Å; D610-K612 WeakPolarHBondContact OD1-CG 3.27Å; D610-K612 PolarHBondContact OD1-N 3.13Å
613	N	89.2	Confident	91.8	Very high	33 Å²	33	23.4 Å²	23.4	18%	0.176	11%	0.107	C	C	.	.	H	α-helix	trans	-97	-41.6	176.4	-68.5	-30.6	0	0	0	111.1	E607 D610 W611 C616	E607-N613 PolarHBondContact O-ND2 3.04Å; D610-N613 PolarHBondContact O-N 3.36Å; W611-N613 PolarHBondContact O-N 3.18Å; N613-C616 PolarHBondContact O-SG 3.39Å
614	L	93.5	Very high	92	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-84.7	-15.9	-172.8	-58.4	-175.1	0	0	0	114.7	P292 F550 D610 W611 C616 Y617	P292-L614 HydrophobicContact CB-CD1 4.39Å; P292-L614 HydrophobicContact CG-CD1 4.43Å; P292-L614 HydrophobicContact CG-CD2 3.95Å; F550-L614 HydrophobicContact CE2-CD2 4.09Å; F550-L614 HydrophobicContact CZ-CD2 3.73Å; D610-L614 PolarHBondContact O-N 2.98Å; W611-L614 HydrophobicContact CE3-CB 4.11Å; W611-L614 HydrophobicContact CZ3-CB 4.31Å; W611-L614 PolarHBondContact O-N 2.96Å; L614-C616 PolarHBondContact O-N 2.94Å; L614-Y617 HydrophobicContact CD2-CD2 4.34Å; L614-Y617 HydrophobicContact CD2-CE2 3.93Å; L614-Y617 WeakPolarHBondContact O-CD2 3.44Å; L614-Y617 PolarHBondContact O-N 2.94Å
615	S	91.7	Very high	92.3	Very high	15 Å²	15	20.8 Å²	20.8	11%	0.105	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-22.8	176.6	57.7	0	0	0	0	113.3	W611 Y617 Y618 Q619	W611-S615 WeakPolarHBondContact O-CA 3.17Å; W611-S615 WeakPolarHBondContact O-CB 3.49Å; W611-S615 PolarHBondContact O-N 2.95Å; W611-S615 PolarHBondContact O-OG 2.7Å; S615-Y617 PolarHBondContact O-N 3.44Å; S615-Y618 WeakPolarHBondContact O-CB 3.49Å; S615-Y618 PolarHBondContact O-N 3.25Å; S615-Q619 PolarHBondContact O-N 3.34Å; S615-Q619 VanDerWaalsContact O-N 3.13Å
616	C	90.8	Very high	92.4	Very high	14 Å²	14	20.8 Å²	20.8	10%	0.095	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-30.7	177.8	72.1	0	0	0	0	112.9	I19 N613 L614 Y618 Q619 R620	I19-C616 HydrophobicContact CD1-CB 3.51Å; N613-C616 PolarHBondContact O-SG 3.39Å; L614-C616 PolarHBondContact O-N 2.94Å; C616-Y618 VanDerWaalsContact C-N 3.31Å; C616-Y618 PolarHBondContact O-N 2.92Å; C616-Q619 WeakPolarHBondContact O-CB 3.32Å; C616-Q619 PolarHBondContact O-N 3.04Å; C616-R620 WeakPolarHBondContact O-CB 3.48Å; C616-R620 PolarHBondContact O-N 3.03Å
617	Y	94	Very high	92.6	Very high	40 Å²	40	22.9 Å²	22.9	16%	0.157	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-36.1	175.4	-66.8	-79.1	0	0	0	111.8	I289 I290 P292 L614 S615 A621	I289-Y617 HydrophobicContact CD1-CD1 4.2Å; I289-Y617 HydrophobicContact CG1-CD1 4.4Å; I290-Y617 WeakPolarHBondContact O-CD1 3.49Å; P292-Y617 HydrophobicContact CG-CD2 3.68Å; P292-Y617 HydrophobicContact CG-CE2 3.82Å; P292-Y617 HydrophobicContact CG-CG 4.27Å; L614-Y617 HydrophobicContact CD2-CD2 4.34Å; L614-Y617 HydrophobicContact CD2-CE2 3.93Å; L614-Y617 WeakPolarHBondContact O-CD2 3.44Å; L614-Y617 PolarHBondContact O-N 2.94Å; S615-Y617 PolarHBondContact O-N 3.44Å; Y617-A621 WeakPolarHBondContact O-CB 3.28Å; Y617-A621 PolarHBondContact O-N 3.32Å
618	Y	95.7	Very high	92.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-68.8	-41	173.4	-82.7	-101.4	0	0	0	111.5	K58 H191 H193 T291 W611 S615 C616 R620 A621 R622	K58-Y618 HydrophobicContact CD-CD1 4Å; K58-Y618 HydrophobicContact CD-CD2 3.87Å; K58-Y618 HydrophobicContact CD-CE1 3.87Å; K58-Y618 HydrophobicContact CD-CE2 3.75Å; K58-Y618 HydrophobicContact CD-CG 4Å; K58-Y618 VanDerWaalsContact CE-CE1 3.47Å; H191-Y618 AromaticContact CE1-CD1 3.5Å; H191-Y618 VanDerWaalsContact CE1-CD1 3.5Å; H191-Y618 WeakPolarHBondContact CE1-CD1 3.23Å; H191-Y618 AromaticContact CE1-CE1 3.63Å; H191-Y618 AromaticContact ND1-CD1 3.98Å; H193-Y618 AromaticContact CE1-CE1 3.82Å; T291-Y618 HydrophobicContact CG2-CD2 4.26Å; T291-Y618 HydrophobicContact CG2-CE2 4.33Å; W611-Y618 AromaticContact CH2-CE2 3.86Å; W611-Y618 HydrophobicContact CH2-CE2 3.86Å; W611-Y618 HydrophobicContact CZ3-CD2 4.04Å; W611-Y618 AromaticContact CZ3-CE2 3.73Å; W611-Y618 HydrophobicContact CZ3-CE2 3.73Å; S615-Y618 WeakPolarHBondContact O-CB 3.49Å; S615-Y618 PolarHBondContact O-N 3.25Å; C616-Y618 VanDerWaalsContact C-N 3.31Å; C616-Y618 PolarHBondContact O-N 2.92Å; Y618-R620 VanDerWaalsContact C-N 3.34Å; Y618-R620 PolarHBondContact O-N 3.44Å; Y618-A621 PolarHBondContact O-N 3.1Å; Y618-R622 WeakPolarHBondContact O-CG 3.44Å; Y618-R622 PolarHBondContact O-N 3.45Å
619	Q	93	Very high	93.1	Very high	47 Å²	47	28.2 Å²	28.2	22%	0.22	13%	0.128	C	C	.	.	H	α-helix	trans	-58.1	-48.2	174.3	-69.1	173.2	3.4	0	0	111.3	E65 S615 C616 A621 R622 L623	E65-Q619 VanDerWaalsContact CD-CG 3.49Å; E65-Q619 VanDerWaalsContact CD-NE2 3.28Å; E65-Q619 WeakPolarHBondContact OE2-CG 3.26Å; E65-Q619 PolarHBondContact OE2-NE2 3.34Å; S615-Q619 PolarHBondContact O-N 3.34Å; S615-Q619 VanDerWaalsContact O-N 3.13Å; C616-Q619 WeakPolarHBondContact O-CB 3.32Å; C616-Q619 PolarHBondContact O-N 3.04Å; Q619-A621 PolarHBondContact O-N 3.4Å; Q619-R622 PolarHBondContact O-N 3.3Å; Q619-L623 WeakPolarHBondContact O-CG 3.19Å; Q619-L623 PolarHBondContact O-N 3.29Å
620	R	91.8	Very high	93	Very high	41 Å²	41	29 Å²	29	16%	0.155	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-43.4	177.8	-174.8	169.4	153.9	157	-4.9	111.9	I289 C616 Y618 R622 L623 M624 L643 S644	I289-R620 HydrophobicContact CD1-CB 3.78Å; I289-R620 VanDerWaalsContact CD1-CD 3.47Å; I289-R620 HydrophobicContact CD1-CG 3.54Å; C616-R620 WeakPolarHBondContact O-CB 3.48Å; C616-R620 PolarHBondContact O-N 3.03Å; Y618-R620 VanDerWaalsContact C-N 3.34Å; Y618-R620 PolarHBondContact O-N 3.44Å; R620-R622 VanDerWaalsContact C-N 3.33Å; R620-R622 PolarHBondContact O-N 3.39Å; R620-L623 PolarHBondContact O-N 2.83Å; R620-M624 HydrophobicContact CG-CG 4.5Å; R620-M624 HydrophobicContact CG-SD 4.1Å; R620-M624 WeakPolarHBondContact O-CB 3.27Å; R620-M624 VanDerWaalsContact O-CG 3.26Å; R620-M624 WeakPolarHBondContact O-CG 2.86Å; R620-M624 PolarHBondContact O-N 2.89Å; R620-L643 HydrophobicContact CG-CD2 4Å; R620-S644 PolarHBondContact NH1-O 3.04Å
621	A	95.6	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-43.8	175.4	0	0	0	0	0	112.4	V214 V267 T269 I289 T291 Y617 Y618 Q619 M624 A625	V214-A621 HydrophobicContact CG1-CB 4.3Å; V267-A621 HydrophobicContact CG1-CB 4.27Å; T269-A621 HydrophobicContact CG2-CB 3.93Å; I289-A621 HydrophobicContact CG2-CB 3.8Å; T291-A621 HydrophobicContact CG2-CB 4.39Å; Y617-A621 WeakPolarHBondContact O-CB 3.28Å; Y617-A621 PolarHBondContact O-N 3.32Å; Y618-A621 PolarHBondContact O-N 3.1Å; Q619-A621 PolarHBondContact O-N 3.4Å; A621-M624 PolarHBondContact O-N 3.16Å; A621-A625 PolarHBondContact O-N 3.38Å
622	R	95	Very high	92.6	Very high	3 Å²	3	38 Å²	38	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-42.7	176.9	-71.8	-168.6	-61.4	-95.5	2	112.4	E65 I189 Y618 Q619 R620 A625 L626	E65-R622 IonicContact OE1-CZ 2.64Å; E65-R622 IonicContact OE1-NH2 2.71Å; E65-R622 PolarHBondContact OE1-NH2 3.42Å; E65-R622 IonicContact OE2-CZ 2.71Å; E65-R622 IonicContact OE2-NH2 2.82Å; E65-R622 PolarHBondContact OE2-NH2 2.91Å; I189-R622 HydrophobicContact CD1-CB 3.86Å; I189-R622 HydrophobicContact CD1-CG 4.38Å; I189-R622 HydrophobicContact CG2-CB 4.45Å; I189-R622 HydrophobicContact CG2-CG 4.14Å; Y618-R622 WeakPolarHBondContact O-CG 3.44Å; Y618-R622 PolarHBondContact O-N 3.45Å; Q619-R622 PolarHBondContact O-N 3.3Å; R620-R622 VanDerWaalsContact C-N 3.33Å; R620-R622 PolarHBondContact O-N 3.39Å; R622-A625 PolarHBondContact O-N 2.89Å; R622-L626 PolarHBondContact O-N 3Å
623	L	93.2	Very high	92.5	Very high	4 Å²	4	33 Å²	33	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.8	-77.8	160.7	0	0	0	112.4	L23 I24 I27 Y32 Q619 R620 A625 L626 K627	L23-L623 HydrophobicContact CD2-CB 4.06Å; I24-L623 HydrophobicContact CD1-CD1 3.87Å; I24-L623 HydrophobicContact CG1-CD1 3.32Å; I27-L623 HydrophobicContact CG2-CD2 4.25Å; Y32-L623 HydrophobicContact CD2-CD2 4.02Å; Y32-L623 HydrophobicContact CE1-CD2 4.19Å; Y32-L623 HydrophobicContact CE2-CD2 3.34Å; Y32-L623 HydrophobicContact CE2-CG 4.03Å; Y32-L623 VanDerWaalsContact CZ-CD2 3.44Å; Y32-L623 WeakPolarHBondContact OH-CG 3.34Å; Q619-L623 WeakPolarHBondContact O-CG 3.19Å; Q619-L623 PolarHBondContact O-N 3.29Å; R620-L623 PolarHBondContact O-N 2.83Å; L623-A625 VanDerWaalsContact C-N 3.26Å; L623-A625 PolarHBondContact O-N 3.2Å; L623-L626 PolarHBondContact O-N 3.33Å; L623-K627 PolarHBondContact O-N 2.82Å
624	M	94	Very high	92.3	Very high	25 Å²	25	32.2 Å²	32.2	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-37.9	174.7	-71.3	172.4	73.4	0	0	111.4	L23 V267 D288 I289 R620 A621 K627 K628	L23-M624 HydrophobicContact CD2-CG 4.33Å; V267-M624 HydrophobicContact CG2-CB 3.58Å; D288-M624 HydrophobicContact CB-CE 3.89Å; I289-M624 HydrophobicContact CB-SD 4.35Å; I289-M624 HydrophobicContact CG2-SD 4.38Å; R620-M624 HydrophobicContact CG-CG 4.5Å; R620-M624 HydrophobicContact CG-SD 4.1Å; R620-M624 WeakPolarHBondContact O-CB 3.27Å; R620-M624 VanDerWaalsContact O-CG 3.26Å; R620-M624 WeakPolarHBondContact O-CG 2.86Å; R620-M624 PolarHBondContact O-N 2.89Å; A621-M624 PolarHBondContact O-N 3.16Å; M624-K627 PolarHBondContact O-N 3.19Å; M624-K628 WeakPolarHBondContact O-CG 3.19Å; M624-K628 PolarHBondContact O-N 2.98Å
625	A	96.1	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-41.2	176.9	0	0	0	0	0	111.5	A212 V214 H266 V267 A621 R622 L623 K628 F629	A212-A625 HydrophobicContact CB-CB 4.21Å; V214-A625 HydrophobicContact CG2-CB 3.62Å; H266-A625 HydrophobicContact CB-CB 4.37Å; V267-A625 HydrophobicContact CB-CB 4.17Å; V267-A625 HydrophobicContact CG2-CB 3.84Å; V267-A625 VanDerWaalsContact CG2-N 3.27Å; A621-A625 PolarHBondContact O-N 3.38Å; R622-A625 PolarHBondContact O-N 2.89Å; L623-A625 VanDerWaalsContact C-N 3.26Å; L623-A625 PolarHBondContact O-N 3.2Å; A625-K628 PolarHBondContact O-N 2.87Å; A625-F629 VanDerWaalsContact O-CB 3.27Å; A625-F629 WeakPolarHBondContact O-CB 3.49Å; A625-F629 PolarHBondContact O-N 2.76Å
626	L	93.9	Very high	90.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-44.5	172.6	-75.1	-179.7	0	0	0	112.2	I27 Y32 P187 I189 A212 R622 L623 K628 F629 S630 F634	I27-L626 HydrophobicContact CD1-CD1 4.2Å; Y32-L626 HydrophobicContact CD2-CD1 3.96Å; Y32-L626 HydrophobicContact CE2-CD1 3.89Å; P187-L626 HydrophobicContact CB-CD1 4.23Å; P187-L626 HydrophobicContact CB-CD2 3.56Å; I189-L626 HydrophobicContact CD1-CD1 3.72Å; I189-L626 HydrophobicContact CD1-CD2 4.06Å; I189-L626 HydrophobicContact CD1-CG 3.69Å; I189-L626 HydrophobicContact CG1-CD1 4.38Å; I189-L626 HydrophobicContact CG1-CD2 3.82Å; I189-L626 HydrophobicContact CG1-CG 4Å; A212-L626 HydrophobicContact CB-CD2 3.9Å; R622-L626 PolarHBondContact O-N 3Å; L623-L626 PolarHBondContact O-N 3.33Å; L626-K628 VanDerWaalsContact C-N 3.3Å; L626-K628 PolarHBondContact O-N 2.84Å; L626-F629 PolarHBondContact O-N 3.18Å; L626-S630 CarbonylContact O-C 3.54Å; L626-S630 PolarHBondContact O-N 2.83Å; L626-F634 HydrophobicContact CB-CE2 4.18Å; L626-F634 HydrophobicContact CB-CZ 4.08Å
627	K	92.6	Very high	88.4	Confident	45 Å²	45	45.2 Å²	45.2	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-40.8	178.6	-172.4	-179.6	178.1	-172	0	111.8	L23 L623 M624 P631 F634 N638	L23-K627 HydrophobicContact CD2-CD 4.34Å; L623-K627 PolarHBondContact O-N 2.82Å; M624-K627 PolarHBondContact O-N 3.19Å; K627-P631 WeakPolarHBondContact O-CA 3.4Å; K627-P631 WeakPolarHBondContact O-CG 3.31Å; K627-F634 HydrophobicContact CB-CD2 4.17Å; K627-F634 HydrophobicContact CB-CE1 4.13Å; K627-F634 HydrophobicContact CB-CE2 3.76Å; K627-F634 HydrophobicContact CB-CZ 3.71Å; K627-F634 HydrophobicContact CG-CD1 4.49Å; K627-F634 HydrophobicContact CG-CD2 4.23Å; K627-F634 HydrophobicContact CG-CE2 4.32Å; K627-F634 HydrophobicContact CG-CG 4.33Å; K627-F634 HydrophobicContact CG-CZ 4.46Å; K627-N638 PolarHBondContact NZ-O 3.01Å
628	K	94.4	Very high	86.2	Confident	93 Å²	93	48.2 Å²	48.2	40%	0.404	25%	0.25	S	S	.	.	H	α-helix	trans	-72.5	-31.9	177.2	-72.1	-177.1	-177.6	-174.1	0	113.2	H266 V267 D288 M624 A625 L626	H266-K628 HydrophobicContact CB-CB 4.29Å; H266-K628 WeakPolarHBondContact O-CD 3.23Å; H266-K628 PolarHBondContact O-NZ 2.9Å; V267-K628 HydrophobicContact CG2-CD 4.31Å; D288-K628 IonicContact OD1-NZ 2.95Å; D288-K628 PolarHBondContact OD1-NZ 3.25Å; D288-K628 IonicContact OD2-NZ 3.36Å; M624-K628 WeakPolarHBondContact O-CG 3.19Å; M624-K628 PolarHBondContact O-N 2.98Å; A625-K628 PolarHBondContact O-N 2.87Å; L626-K628 VanDerWaalsContact C-N 3.3Å; L626-K628 PolarHBondContact O-N 2.84Å
629	F	94.4	Very high	83.8	Confident	69 Å²	69	54.8 Å²	54.8	30%	0.303	29%	0.286	S	S	.	.	H	α-helix	trans	-83	-46.2	-178.2	174.9	-100.8	0	0	0	112.7	P210 A212 H266 A625 L626	P210-F629 HydrophobicContact CB-CZ 4.25Å; A212-F629 HydrophobicContact CB-CB 3.82Å; A212-F629 HydrophobicContact CB-CD1 4.24Å; A212-F629 HydrophobicContact CB-CG 4.05Å; H266-F629 AromaticContact CE1-CD2 3.77Å; H266-F629 AromaticContact NE2-CD2 3.62Å; A625-F629 VanDerWaalsContact O-CB 3.27Å; A625-F629 WeakPolarHBondContact O-CB 3.49Å; A625-F629 PolarHBondContact O-N 2.76Å; L626-F629 PolarHBondContact O-N 3.18Å
630	S	91	Very high	81.4	Confident	17 Å²	17	58.2 Å²	58.2	12%	0.119	31%	0.306	C	S	.	.			trans	-133.6	73.9	-176.2	-83.3	0	0	0	0	111.1	L626 E632 L633	L626-S630 CarbonylContact O-C 3.54Å; L626-S630 PolarHBondContact O-N 2.83Å; S630-E632 WeakPolarHBondContact CA-OE1 3.04Å; S630-E632 VanDerWaalsContact CA-OE2 3.29Å; S630-E632 WeakPolarHBondContact CA-OE2 3.4Å; S630-E632 WeakPolarHBondContact CB-OE1 3.27Å; S630-E632 PolarHBondContact O-N 2.79Å; S630-E632 VanDerWaalsContact O-N 3.17Å; S630-E632 PolarHBondContact OG-OE1 2.87Å; S630-L633 PolarHBondContact O-N 2.8Å
631	P	89.1	Confident	79.1	Confident	65 Å²	65	62.8 Å²	62.8	42%	0.422	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.3	-29.2	178.7	-20.8	30.3	0	0	0	113.5	K627 L633 F634	K627-P631 WeakPolarHBondContact O-CA 3.4Å; K627-P631 WeakPolarHBondContact O-CG 3.31Å; P631-L633 PolarHBondContact O-N 2.99Å; P631-L633 VanDerWaalsContact O-N 3.14Å; P631-F634 WeakPolarHBondContact O-CB 3.48Å; P631-F634 PolarHBondContact O-N 2.88Å
632	E	87.3	Confident	76.3	Confident	140 Å²	140	67 Å²	67	65%	0.654	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61.4	-18.8	179.7	67.9	-77.2	176.8	0	0	114.4	S630 F634	S630-E632 WeakPolarHBondContact CA-OE1 3.04Å; S630-E632 VanDerWaalsContact CA-OE2 3.29Å; S630-E632 WeakPolarHBondContact CA-OE2 3.4Å; S630-E632 WeakPolarHBondContact CB-OE1 3.27Å; S630-E632 PolarHBondContact O-N 2.79Å; S630-E632 VanDerWaalsContact O-N 3.17Å; S630-E632 PolarHBondContact OG-OE1 2.87Å; E632-F634 PolarHBondContact O-N 3.4Å
633	L	85.3	Confident	73.8	Confident	34 Å²	34	68.5 Å²	68.5	18%	0.178	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-75.4	-11.1	175.2	-64.7	176.6	0	0	0	112.9	I27 N28 V31 P187 S630 P631	I27-L633 HydrophobicContact CD1-CB 4.35Å; I27-L633 HydrophobicContact CG1-CB 4.31Å; N28-L633 PolarHBondContact N-O 3.23Å; V31-L633 HydrophobicContact CG1-CD2 4.1Å; P187-L633 HydrophobicContact CG-CD1 4.06Å; S630-L633 PolarHBondContact O-N 2.8Å; P631-L633 PolarHBondContact O-N 2.99Å; P631-L633 VanDerWaalsContact O-N 3.14Å
634	F	86.5	Confident	71.1	Confident	17 Å²	17	70 Å²	70	8%	0.075	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-109.1	129.7	-174.1	-62.8	-99.8	0	0	0	110.6	S26 I27 L626 K627 P631 E632 S636	S26-F634 CarbonylContact O-C 3.57Å; S26-F634 WeakPolarHBondContact O-CA 3.47Å; S26-F634 WeakPolarHBondContact OG-CD1 3.41Å; I27-F634 HydrophobicContact CB-CD1 3.92Å; I27-F634 HydrophobicContact CB-CE1 3.75Å; I27-F634 HydrophobicContact CB-CZ 4.22Å; I27-F634 HydrophobicContact CD1-CE1 4.15Å; I27-F634 HydrophobicContact CD1-CE2 4.06Å; I27-F634 HydrophobicContact CD1-CZ 3.73Å; I27-F634 HydrophobicContact CG1-CE1 4.31Å; I27-F634 HydrophobicContact CG1-CZ 4.3Å; L626-F634 HydrophobicContact CB-CE2 4.18Å; L626-F634 HydrophobicContact CB-CZ 4.08Å; K627-F634 HydrophobicContact CB-CD2 4.17Å; K627-F634 HydrophobicContact CB-CE1 4.13Å; K627-F634 HydrophobicContact CB-CE2 3.76Å; K627-F634 HydrophobicContact CB-CZ 3.71Å; K627-F634 HydrophobicContact CG-CD1 4.49Å; K627-F634 HydrophobicContact CG-CD2 4.23Å; K627-F634 HydrophobicContact CG-CE2 4.32Å; K627-F634 HydrophobicContact CG-CG 4.33Å; K627-F634 HydrophobicContact CG-CZ 4.46Å; P631-F634 WeakPolarHBondContact O-CB 3.48Å; P631-F634 PolarHBondContact O-N 2.88Å; E632-F634 PolarHBondContact O-N 3.4Å; F634-S636 VanDerWaalsContact C-N 3.32Å; F634-S636 PolarHBondContact O-N 3.36Å
635	T	77.2	Confident	68.6	Low	115 Å²	115	74.1 Å²	74.1	71%	0.706	41%	0.414	S	S	*	.	S	Bend	trans	-75.9	-18.8	-176.7	53.2	0	0	0	0	113.7	S26	S26-T635 PolarHBondContact O-N 3.18Å; S26-T635 PolarHBondContact O-OG1 2.86Å
636	S	63.8	Low	65.9	Low	53 Å²	53	80.8 Å²	80.8	37%	0.371	45%	0.445	S	S	.	.			trans	-116.7	117	-178.5	-68	0	0	0	0	111.1	F634 N638	F634-S636 VanDerWaalsContact C-N 3.32Å; F634-S636 PolarHBondContact O-N 3.36Å; S636-N638 PolarHBondContact O-N 2.97Å
637	N	52.5	Low	63.4	Low	138 Å²	138	82.6 Å²	82.6	74%	0.738	46%	0.457	S	S	*	.			trans	-76.5	28.6	172.5	-120.4	11.7	0	0	0	112.3	N639	N637-N639 PolarHBondContact O-N 3.4Å
638	N	48.7	Very low	61.4	Low	103 Å²	103	82.1 Å²	82.1	55%	0.551	46%	0.455	S	S	*	.			trans	-65.4	103	178.9	-79	-1.1	0	0	0	108.1	K627 S636 D640	K627-N638 PolarHBondContact NZ-O 3.01Å; S636-N638 PolarHBondContact O-N 2.97Å; N638-D640 PolarHBondContact O-N 3.37Å
639	N	44	Very low	59.3	Low	141 Å²	141	82.9 Å²	82.9	75%	0.754	46%	0.46	S	S	*	.			trans	-71.2	9	168.4	-80	-17.5	0	0	0	112.1	N637 D641	N637-N639 PolarHBondContact O-N 3.4Å; N639-D641 PolarHBondContact O-N 3.23Å
640	D	43.4	Very low	57.4	Low	119 Å²	119	80.7 Å²	80.7	64%	0.636	45%	0.451	S	S	*	.			trans	-74	80.9	169.7	-66.9	-27.6	0	0	0	108.2	N638 A642	N638-D640 PolarHBondContact O-N 3.37Å; D640-A642 PolarHBondContact O-N 3.38Å; D640-A642 VanDerWaalsContact O-N 3.1Å
641	D	42.4	Very low	55.1	Low	137 Å²	137	83.6 Å²	83.6	73%	0.733	47%	0.472	S	S	*	.			trans	-60.9	-3.6	163.4	-81.2	-26	0	0	0	112	N639 L643	N639-D641 PolarHBondContact O-N 3.23Å; D641-L643 PolarHBondContact O-N 3.3Å
642	A	38.5	Very low	52.5	Low	88 Å²	88	86.7 Å²	86.7	73%	0.727	48%	0.475	S	S	*	.			trans	-74.4	63.6	163.7	0	0	0	0	0	110.3	D640 S644	D640-A642 PolarHBondContact O-N 3.38Å; D640-A642 VanDerWaalsContact O-N 3.1Å; A642-S644 PolarHBondContact O-N 2.79Å
643	L	41.7	Very low	49.8	Very low	34 Å²	34	82.6 Å²	82.6	18%	0.178	46%	0.46	C	S	.	.			trans	-59	116.5	162.4	-91	84.8	0	0	0	107	L23 R620 D641 T645	L23-L643 HydrophobicContact CD1-CD1 3.88Å; L23-L643 HydrophobicContact CD1-CD2 4.22Å; L23-L643 HydrophobicContact CD1-CG 4.16Å; R620-L643 HydrophobicContact CG-CD2 4Å; D641-L643 PolarHBondContact O-N 3.3Å; L643-T645 PolarHBondContact O-N 3.19Å
644	S	37.3	Very low	47.2	Very low	37 Å²	37	91.9 Å²	91.9	26%	0.259	50%	0.495	S	S	.	.			trans	-46.8	111.2	174.1	72.1	0	0	0	0	109.2	S20 R620 A642 H646	S20-S644 PolarHBondContact OG-OG 3.5Å; R620-S644 PolarHBondContact NH1-O 3.04Å; A642-S644 PolarHBondContact O-N 2.79Å; S644-H646 PolarHBondContact O-N 3.33Å; S644-H646 VanDerWaalsContact O-N 3.11Å; S644-H646 PolarHBondContact OG-CD2 2.8Å
645	T	40.8	Very low	44.6	Very low	111 Å²	111	95.4 Å²	95.4	68%	0.681	52%	0.521	S	S	*	.			trans	-79.9	69.2	161.3	49.9	0	0	0	0	105.2	L643 S647	L643-T645 PolarHBondContact O-N 3.19Å; T645-S647 PolarHBondContact O-N 3.42Å
646	H	38.8	Very low	42.1	Very low	140 Å²	140	93.7 Å²	93.7	65%	0.648	52%	0.519	S	S	*	.			trans	-68.2	90.4	160.1	-78.3	-57.6	0	0	0	105.8	S644 F648	S644-H646 PolarHBondContact O-N 3.33Å; S644-H646 VanDerWaalsContact O-N 3.11Å; S644-H646 PolarHBondContact OG-CD2 2.8Å; H646-F648 PolarHBondContact O-N 3.05Å
647	S	42	Very low	40.4	Very low	38 Å²	38	96.8 Å²	96.8	27%	0.266	54%	0.538	S	S	.	.			trans	-59.2	131.5	169.5	43.9	0	0	0	0	107.6	T645 H649	T645-S647 PolarHBondContact O-N 3.42Å; S647-H649 PolarHBondContact O-N 3.49Å; S647-H649 PolarHBondContact OG-CD2 2.95Å; S647-H649 PolarHBondContact OG-NE2 2.7Å; S647-H649 VanDerWaalsContact OG-NE2 3.13Å
648	F	51.4	Low	39.3	Very low	35 Å²	35	96.4 Å²	96.4	15%	0.154	54%	0.54	C	S	.	.			trans	-61.8	112	168.6	-59.3	-77.8	0	0	0	107.5	L18 H554 H646	L18-F648 HydrophobicContact CB-CE1 3.97Å; L18-F648 HydrophobicContact CB-CZ 3.98Å; L18-F648 HydrophobicContact CD2-CD1 4.23Å; L18-F648 HydrophobicContact CD2-CE1 3.25Å; L18-F648 HydrophobicContact CD2-CE2 3.88Å; L18-F648 HydrophobicContact CD2-CZ 3.06Å; L18-F648 HydrophobicContact CG-CD1 4.45Å; L18-F648 HydrophobicContact CG-CE1 3.38Å; L18-F648 HydrophobicContact CG-CZ 3.63Å; H554-F648 VanDerWaalsContact CA-O 3.23Å; H554-F648 WeakPolarHBondContact CA-O 3.38Å; H554-F648 VanDerWaalsContact CB-O 3.32Å; H554-F648 WeakPolarHBondContact CB-O 3.32Å; H554-F648 PolarHBondContact CD2-O 3.34Å; H554-F648 VanDerWaalsContact CD2-O 3.25Å; H554-F648 VanDerWaalsContact O-O 3.13Å; H646-F648 PolarHBondContact O-N 3.05Å
649	H	49.8	Very low	38.3	Very low	109 Å²	109	96.5 Å²	96.5	51%	0.505	55%	0.549	S	S	.	.			trans	-100.4	114.7	169.8	-83.9	-69.4	0	0	0	109	E553 S647 S651	E553-H649 PolarHBondContact O-CE1 3.27Å; E553-H649 PolarHBondContact O-ND1 2.84Å; S647-H649 PolarHBondContact O-N 3.49Å; S647-H649 PolarHBondContact OG-CD2 2.95Å; S647-H649 PolarHBondContact OG-NE2 2.7Å; S647-H649 VanDerWaalsContact OG-NE2 3.13Å; H649-S651 VanDerWaalsContact C-N 3.31Å; H649-S651 PolarHBondContact O-N 2.71Å
650	I	53.4	Low	37.7	Very low	24 Å²	24	95.6 Å²	95.6	12%	0.123	55%	0.551	C	S	.	*	B	Isolated β-bridge	trans	-72.6	95.6	160.6	-62.8	-179.9	0	0	0	106.3	Y13 H554 V555 E556 Y561 L605 L608	Y13-I650 HydrophobicContact CE1-CD1 3.78Å; Y13-I650 HydrophobicContact CE1-CG1 4Å; H554-I650 PolarHBondContact O-N 3.18Å; V555-I650 HydrophobicContact CG2-CD1 4.31Å; E556-I650 PolarHBondContact N-O 3.49Å; Y561-I650 HydrophobicContact CE2-CG2 4.5Å; L605-I650 HydrophobicContact CD2-CD1 3.63Å; L608-I650 HydrophobicContact CB-CD1 4.49Å; L608-I650 HydrophobicContact CD2-CD1 4.08Å
651	S	43.5	Very low	36.9	Very low	78 Å²	78	95 Å²	95	55%	0.545	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-80	156	177.1	-43.1	0	0	0	0	111.5	E556 H649	E556-S651 WeakPolarHBondContact OE2-CA 3.36Å; H649-S651 VanDerWaalsContact C-N 3.31Å; H649-S651 PolarHBondContact O-N 2.71Å
652	R	33.5	Very low	36.3	Very low	129 Å²	129	96.3 Å²	96.3	49%	0.487	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-54.9	139.1	165.4	-68.1	179.7	177.3	-172	1.3	110.9	E556	E556-R652 PolarHBondContact OE2-N 2.93Å; E556-R652 VanDerWaalsContact OE2-N 3.12Å
653	P	32	Very low	35.9	Very low	54 Å²	54	97.7 Å²	97.7	35%	0.351	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-64.5	141.5	167.9	-3	17.2	0	0	0	108.4	S655 D693	P653-S655 PolarHBondContact O-N 2.91Å; P653-S655 VanDerWaalsContact O-N 3.11Å; P653-D693 HydrophobicContact CG-CB 3.76Å; P653-D693 WeakPolarHBondContact CG-OD2 3.25Å
654	Y	30.3	Very low	35.3	Very low	230 Å²	230	99.8 Å²	99.8	90%	0.902	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-51.4	121.9	172.9	-87.4	-92.4	0	0	0	109.5	A656	Y654-A656 VanDerWaalsContact C-N 3.33Å; Y654-A656 PolarHBondContact O-N 3.35Å
655	S	31.4	Very low	34.8	Very low	91 Å²	91	107.3 Å²	107.3	64%	0.636	63%	0.627	S	S	*	*			trans	-59.8	97.8	166.4	47.5	0	0	0	0	108.2	P653	P653-S655 PolarHBondContact O-N 2.91Å; P653-S655 VanDerWaalsContact O-N 3.11Å
656	A	25.8	Very low	34.3	Very low	79 Å²	79	107.7 Å²	107.7	65%	0.653	63%	0.634	S	S	*	*			trans	-61.7	131.2	165.8	0	0	0	0	0	107.3	Y654 V658	Y654-A656 VanDerWaalsContact C-N 3.33Å; Y654-A656 PolarHBondContact O-N 3.35Å; A656-V658 PolarHBondContact O-N 3Å
657	P	28.3	Very low	33.9	Very low	118 Å²	118	107.4 Å²	107.4	77%	0.766	64%	0.643	S	S	*	*			trans	-63.4	141.7	177.6	27.6	-31.5	0	0	0	108.5	S659	P657-S659 PolarHBondContact O-N 3.32Å
658	V	28.7	Very low	33.4	Very low	129 Å²	129	111.6 Å²	111.6	78%	0.782	67%	0.669	S	S	*	*			trans	-50.9	115.7	173.3	-171.8	0	0	0	0	108	A656 P660	A656-V658 PolarHBondContact O-N 3Å; V658-P660 VanDerWaalsContact O-N 3.17Å
659	S	27.3	Very low	32.5	Very low	105 Å²	105	118.4 Å²	118.4	73%	0.734	71%	0.706	S	S	*	*			trans	-47.8	123.3	166.8	-62.3	0	0	0	0	107.8	P657 S661	P657-S659 PolarHBondContact O-N 3.32Å; S659-S661 PolarHBondContact O-N 2.9Å
660	P	32.1	Very low	31.3	Very low	123 Å²	123	124.2 Å²	124.2	80%	0.799	72%	0.723	S	S	*	*			trans	-65.5	115.5	-165.5	24.6	-32.8	0	0	0	109.9	V658 L662	V658-P660 VanDerWaalsContact O-N 3.17Å; P660-L662 PolarHBondContact O-N 3.27Å; P660-L662 VanDerWaalsContact O-N 3.17Å
661	S	27.1	Very low	30.3	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	76%	0.756	S	S	*	*			trans	-70.6	101.6	166.9	52.2	0	0	0	0	109.2	S659	S659-S661 PolarHBondContact O-N 2.9Å
662	L	29.6	Very low	29.7	Very low	165 Å²	165	130 Å²	130	86%	0.864	77%	0.773	S	S	*	*			trans	-177.5	126.8	160.4	-90.1	152.4	0	0	0	103.4	P660	P660-L662 PolarHBondContact O-N 3.27Å; P660-L662 VanDerWaalsContact O-N 3.17Å
663	S	29	Very low	29.5	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	79%	0.786	S	S	*	*			cis	-178	143.3	21.9	47.6	0	0	0	0	106.3
664	G	29.8	Very low	29.3	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	81%	0.805	S	S	*	*			trans	154.5	98	164.2	0	0	0	0	0	115
665	Q	26.6	Very low	29.2	Very low	194 Å²	194	125.7 Å²	125.7	91%	0.907	80%	0.802	S	S	*	*			trans	-52.3	137.4	165.7	-65.2	170.3	-15.5	0	0	111.4
666	S	29.5	Very low	29.2	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	81%	0.807	S	S	*	*			trans	-153.7	115.9	147	-55.8	0	0	0	0	110.7
667	T	31.3	Very low	29.3	Very low	135 Å²	135	127.5 Å²	127.5	83%	0.828	81%	0.81	S	S	*	*			trans	-60.3	160.2	169.5	5.3	0	0	0	0	112.3
668	P	31.8	Very low	29.4	Very low	125 Å²	125	129.4 Å²	129.4	81%	0.812	81%	0.813	S	S	*	*			trans	-84.7	143	-172.9	34.7	-31.1	0	0	0	111.5
669	L	30.9	Very low	29.2	Very low	178 Å²	178	135.6 Å²	135.6	93%	0.932	82%	0.823	S	S	*	*			trans	-113.6	133	170.5	-105.6	144.1	0	0	0	111.2
670	R	26.2	Very low	29.3	Very low	231 Å²	231	135.6 Å²	135.6	87%	0.872	82%	0.823	S	S	*	*			trans	-87.9	144.5	176.9	-78.8	-179.1	167	-176	-3.3	111.7
671	S	31	Very low	29	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	82%	0.817	S	S	*	*			trans	69.2	118.5	138.2	60.8	0	0	0	0	122.6
672	A	32.5	Very low	29	Very low	109 Å²	109	135.7 Å²	135.7	90%	0.901	82%	0.823	S	S	*	*				161.3	139.1	123.5	0	0	0	0	0	107.5
673	G	28.2	Very low	28.9	Very low	74 Å²	74	133 Å²	133	76%	0.763	81%	0.814	S	S	*	*			cis	161.7	143.5	5.9	0	0	0	0	0	107.5
674	A	28.5	Very low	28.8	Very low	89 Å²	89	132.5 Å²	132.5	74%	0.736	81%	0.81	S	S	*	*			trans	78	120.8	156.8	0	0	0	0	0	122.9
675	N	28.4	Very low	28.6	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	81%	0.807	S	S	*	*			trans	64.8	127.9	142.5	-58.7	-11.7	0	0	0	118.1
676	S	31.1	Very low	28.6	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	80%	0.8	S	S	*	*			cis	-169.7	151.1	39.6	46.7	0	0	0	0	111.5
677	S	27.5	Very low	28.5	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	80%	0.796	S	S	*	*			trans	11.8	114.1	153.5	55.7	0	0	0	0	120.5
678	N	30.8	Very low	28.6	Very low	158 Å²	158	135.4 Å²	135.4	85%	0.845	79%	0.793	S	S	*	*				-160.5	114.2	119.3	-100.7	-17.1	0	0	0	111.1	S680	N678-S680 PolarHBondContact O-N 3Å
679	R	24.5	Very low	28.7	Very low	259 Å²	259	136.2 Å²	136.2	98%	0.977	79%	0.79	S	S	*	*			trans	-70.5	109.2	166	-86.7	178.6	172	-172.2	-2.7	108
680	S	29	Very low	29.1	Very low	105 Å²	105	136 Å²	136	73%	0.734	79%	0.785	S	S	*	*			trans	-142.6	125.2	153.1	43.9	0	0	0	0	108.8	N678	N678-S680 PolarHBondContact O-N 3Å
681	S	26.9	Very low	30.3	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	77%	0.767	S	S	*	*			trans	-4.4	132.6	170.5	46	0	0	0	0	118.8	T683	S681-T683 PolarHBondContact O-N 3.36Å
682	P	26.9	Very low	31.9	Very low	136 Å²	136	128 Å²	128	88%	0.883	75%	0.749	S	S	*	*			trans	-71.9	103.4	167.8	30.4	-28.1	0	0	0	108.4	S684	P682-S684 PolarHBondContact O-N 3.47Å
683	T	27.1	Very low	33.1	Very low	107 Å²	107	124.2 Å²	124.2	66%	0.656	71%	0.714	S	S	*	*			trans	-70.3	120.7	158.8	36.3	0	0	0	0	106.9	S681 H685	S681-T683 PolarHBondContact O-N 3.36Å; T683-H685 VanDerWaalsContact C-N 3.34Å; T683-H685 PolarHBondContact O-N 3.01Å
684	S	26	Very low	34.7	Very low	106 Å²	106	123 Å²	123	74%	0.741	69%	0.69	S	S	*	*			trans	-63.9	94.1	174.6	44.7	0	0	0	0	109	P682 L686	P682-S684 PolarHBondContact O-N 3.47Å; S684-L686 PolarHBondContact O-N 2.8Å; S684-L686 VanDerWaalsContact O-N 3.08Å
685	H	25.9	Very low	36.5	Very low	161 Å²	161	121.9 Å²	121.9	75%	0.745	67%	0.674	S	S	*	*			trans	-72.1	89.4	155.5	-74.3	-64.8	0	0	0	106.6	T683 D687	T683-H685 VanDerWaalsContact C-N 3.34Å; T683-H685 PolarHBondContact O-N 3.01Å; H685-D687 VanDerWaalsContact C-N 3.32Å; H685-D687 PolarHBondContact O-N 3.48Å; H685-D687 VanDerWaalsContact O-N 3.17Å
686	L	26.4	Very low	38.4	Very low	146 Å²	146	115.2 Å²	115.2	76%	0.764	64%	0.638	S	S	*	*			trans	-66.4	102.4	155.7	-71.8	165	0	0	0	104.8	S684 D688	S684-L686 PolarHBondContact O-N 2.8Å; S684-L686 VanDerWaalsContact O-N 3.08Å; L686-D688 VanDerWaalsContact C-N 3.3Å; L686-D688 PolarHBondContact O-N 3.02Å
687	D	28	Very low	40	Very low	140 Å²	140	111.2 Å²	111.2	75%	0.749	61%	0.606	S	S	*	*			trans	-60.2	101.9	159.9	-74.4	-38.5	0	0	0	105.7	H685 D689	H685-D687 VanDerWaalsContact C-N 3.32Å; H685-D687 PolarHBondContact O-N 3.48Å; H685-D687 VanDerWaalsContact O-N 3.17Å; D687-D689 VanDerWaalsContact C-N 3.34Å; D687-D689 PolarHBondContact O-N 3.14Å
688	D	32.4	Very low	41.7	Very low	142 Å²	142	112.2 Å²	112.2	76%	0.759	60%	0.603	S	S	*	*			trans	-63.5	102.5	164.5	-79.3	-35.5	0	0	0	105.9	L686 E690	L686-D688 VanDerWaalsContact C-N 3.3Å; L686-D688 PolarHBondContact O-N 3.02Å; D688-E690 PolarHBondContact O-N 2.8Å
689	D	35.1	Very low	43.6	Very low	142 Å²	142	106.9 Å²	106.9	76%	0.759	57%	0.573	S	S	*	*			trans	-48.6	114.6	172.6	-75.4	-42.9	0	0	0	108.4	D687 I691	D687-D689 VanDerWaalsContact C-N 3.34Å; D687-D689 PolarHBondContact O-N 3.14Å; D689-I691 VanDerWaalsContact C-N 3.32Å; D689-I691 WeakPolarHBondContact O-CG1 3.43Å; D689-I691 PolarHBondContact O-N 3.17Å
690	E	38.9	Very low	45.7	Very low	173 Å²	173	94.9 Å²	94.9	81%	0.808	53%	0.528	S	S	*	.			trans	-58	100.5	164.4	-93.6	-176.2	156.8	0	0	107.1	D688 D692	D688-E690 PolarHBondContact O-N 2.8Å; E690-D692 PolarHBondContact O-N 2.98Å
691	I	52.3	Low	47.4	Very low	97 Å²	97	92.9 Å²	92.9	50%	0.497	52%	0.524	S	S	.	.			trans	-69.2	101	179.4	-56.6	172.9	0	0	0	107.8	D689 D693 E696	D689-I691 VanDerWaalsContact C-N 3.32Å; D689-I691 WeakPolarHBondContact O-CG1 3.43Å; D689-I691 PolarHBondContact O-N 3.17Å; I691-D693 PolarHBondContact O-N 3.39Å; I691-E696 VanDerWaalsContact CG2-CD 3.5Å; I691-E696 HydrophobicContact CG2-CG 4.16Å; I691-E696 WeakPolarHBondContact CG2-OE1 3.33Å
692	D	63.3	Low	48.9	Very low	81 Å²	81	90 Å²	90	43%	0.433	50%	0.501	S	S	.	.			trans	-71	97.5	173.8	176.7	23.3	0	0	0	110	E690 N694 T695 E696	E690-D692 PolarHBondContact O-N 2.98Å; D692-N694 PolarHBondContact O-N 2.82Å; D692-N694 VanDerWaalsContact O-N 3.08Å; D692-N694 WeakPolarHBondContact OD1-CB 3.3Å; D692-N694 PolarHBondContact OD1-N 3.17Å; D692-N694 VanDerWaalsContact OD1-N 3.11Å; D692-T695 WeakPolarHBondContact O-CB 3.36Å; D692-T695 PolarHBondContact O-N 3.19Å; D692-T695 WeakPolarHBondContact OD2-CB 3.35Å; D692-T695 PolarHBondContact OD2-N 3.42Å; D692-T695 PolarHBondContact OD2-OG1 3.26Å; D692-E696 PolarHBondContact O-N 3.42Å; D692-E696 VanDerWaalsContact O-N 3.13Å
693	D	58.7	Low	49.4	Very low	31 Å²	31	85.7 Å²	85.7	17%	0.166	48%	0.481	C	S	.	.	H	α-helix	trans	-51.1	-30.3	176.7	-99	-30.5	0	0	0	112.8	R601 R604 P653 I691 E696 R697	R601-D693 IonicContact CZ-OD1 3.62Å; R601-D693 PolarHBondContact NH1-O 3.06Å; R601-D693 IonicContact NH2-OD1 2.99Å; R601-D693 PolarHBondContact NH2-OD1 3.39Å; R604-D693 IonicContact NH1-OD1 3.72Å; R604-D693 PolarHBondContact NH1-OD1 3.31Å; P653-D693 HydrophobicContact CG-CB 3.76Å; P653-D693 WeakPolarHBondContact CG-OD2 3.25Å; I691-D693 PolarHBondContact O-N 3.39Å; D693-E696 PolarHBondContact O-N 3Å; D693-R697 WeakPolarHBondContact O-CG 3.38Å; D693-R697 PolarHBondContact O-N 3.37Å
694	N	61.9	Low	49.7	Very low	49 Å²	49	84.7 Å²	84.7	26%	0.262	48%	0.484	S	S	.	.	H	α-helix	trans	-71.1	-42.4	177.3	-76.2	-38.4	0	0	0	111.8	D692 E696 R697 L698	D692-N694 PolarHBondContact O-N 2.82Å; D692-N694 VanDerWaalsContact O-N 3.08Å; D692-N694 WeakPolarHBondContact OD1-CB 3.3Å; D692-N694 PolarHBondContact OD1-N 3.17Å; D692-N694 VanDerWaalsContact OD1-N 3.11Å; N694-E696 VanDerWaalsContact C-N 3.29Å; N694-E696 PolarHBondContact O-N 3.13Å; N694-R697 PolarHBondContact O-N 3.03Å; N694-L698 WeakPolarHBondContact O-CB 3.5Å; N694-L698 PolarHBondContact O-N 2.86Å
695	T	66.3	Low	49.9	Very low	65 Å²	65	87 Å²	87	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-58.6	-44.2	172.6	-66.2	0	0	0	0	110.3	D692 R697 L698 E699	D692-T695 WeakPolarHBondContact O-CB 3.36Å; D692-T695 PolarHBondContact O-N 3.19Å; D692-T695 WeakPolarHBondContact OD2-CB 3.35Å; D692-T695 PolarHBondContact OD2-N 3.42Å; D692-T695 PolarHBondContact OD2-OG1 3.26Å; T695-R697 PolarHBondContact O-N 3.36Å; T695-L698 PolarHBondContact O-N 3.17Å; T695-E699 WeakPolarHBondContact O-CG 3.45Å; T695-E699 PolarHBondContact O-N 3.26Å
696	E	68.7	Low	49.9	Very low	18 Å²	18	87.1 Å²	87.1	8%	0.084	49%	0.487	C	S	.	.	H	α-helix	trans	-62.4	-37.1	175.6	-71.9	-170.2	160.8	0	0	113.1	V597 R601 R604 I691 D692 D693 N694 E699 L700	V597-E696 HydrophobicContact CG1-CB 3.63Å; V597-E696 HydrophobicContact CG1-CG 3.74Å; R601-E696 WeakPolarHBondContact CG-OE2 3.37Å; R601-E696 VanDerWaalsContact NH1-CB 3.29Å; R601-E696 IonicContact NH1-OE2 3.23Å; R604-E696 IonicContact CZ-OE1 2.76Å; R604-E696 IonicContact CZ-OE2 2.65Å; R604-E696 IonicContact NH1-OE1 3.8Å; R604-E696 IonicContact NH1-OE2 2.9Å; R604-E696 PolarHBondContact NH1-OE2 3.43Å; R604-E696 IonicContact NH2-OE1 3.95Å; R604-E696 PolarHBondContact NH2-OE1 3.44Å; R604-E696 IonicContact NH2-OE2 3.25Å; R604-E696 PolarHBondContact NH2-OE2 3.1Å; R604-E696 VanDerWaalsContact NH2-OE2 3.14Å; I691-E696 VanDerWaalsContact CG2-CD 3.5Å; I691-E696 HydrophobicContact CG2-CG 4.16Å; I691-E696 WeakPolarHBondContact CG2-OE1 3.33Å; D692-E696 PolarHBondContact O-N 3.42Å; D692-E696 VanDerWaalsContact O-N 3.13Å; D693-E696 PolarHBondContact O-N 3Å; N694-E696 VanDerWaalsContact C-N 3.29Å; N694-E696 PolarHBondContact O-N 3.13Å; E696-E699 PolarHBondContact O-N 2.94Å; E696-L700 WeakPolarHBondContact O-CG 3.35Å; E696-L700 PolarHBondContact O-N 3.3Å
697	R	63.5	Low	49.8	Very low	22 Å²	22	86.8 Å²	86.8	8%	0.083	49%	0.485	C	S	.	.	H	α-helix	trans	-68.4	-43.2	176.7	-72	-176.3	78.6	90	5.6	111.8	D557 S560 D693 N694 T695 E699 L700 G701 L702	D557-R697 IonicContact OD2-CZ 3.78Å; D557-R697 IonicContact OD2-NH1 3.1Å; D557-R697 PolarHBondContact OD2-NH1 3.17Å; D557-R697 IonicContact OD2-NH2 3.92Å; D557-R697 PolarHBondContact OD2-NH2 3.49Å; S560-R697 VanDerWaalsContact CB-NH1 3.31Å; S560-R697 PolarHBondContact OG-NH1 2.86Å; D693-R697 WeakPolarHBondContact O-CG 3.38Å; D693-R697 PolarHBondContact O-N 3.37Å; N694-R697 PolarHBondContact O-N 3.03Å; T695-R697 PolarHBondContact O-N 3.36Å; R697-E699 VanDerWaalsContact C-N 3.29Å; R697-E699 PolarHBondContact O-N 3.16Å; R697-L700 PolarHBondContact O-N 2.84Å; R697-G701 PolarHBondContact O-N 2.85Å; R697-L702 HydrophobicContact CB-CB 4.47Å; R697-L702 PolarHBondContact O-N 2.98Å
698	L	63	Low	49.7	Very low	122 Å²	122	85.4 Å²	85.4	64%	0.639	48%	0.481	S	S	*	.	H	α-helix	trans	-59.5	-42.7	175.2	-88.5	151	0	0	0	110.8	N694 T695 L700 G701	N694-L698 WeakPolarHBondContact O-CB 3.5Å; N694-L698 PolarHBondContact O-N 2.86Å; T695-L698 PolarHBondContact O-N 3.17Å; L698-L700 VanDerWaalsContact C-N 3.28Å; L698-L700 PolarHBondContact O-N 3.33Å; L698-G701 PolarHBondContact O-N 3.31Å
699	E	70	Confident	49.4	Very low	47 Å²	47	85.5 Å²	85.5	22%	0.22	48%	0.482	C	S	.	.	H	α-helix	trans	-61.9	-35.1	175.8	-75.3	-172.9	-165.1	0	0	112.8	R593 Q594 T695 E696 R697 G701	R593-E699 IonicContact CZ-OE1 2.7Å; R593-E699 IonicContact CZ-OE2 3.87Å; R593-E699 VanDerWaalsContact NE-CD 3.34Å; R593-E699 IonicContact NE-OE1 3.93Å; R593-E699 PolarHBondContact NE-OE1 3.29Å; R593-E699 IonicContact NE-OE2 2.78Å; R593-E699 PolarHBondContact NE-OE2 2.94Å; R593-E699 IonicContact NH2-OE1 3.58Å; R593-E699 PolarHBondContact NH2-OE1 3Å; R593-E699 IonicContact NH2-OE2 3.83Å; Q594-E699 WeakPolarHBondContact CG-O 3.27Å; Q594-E699 PolarHBondContact NE2-O 3.03Å; T695-E699 WeakPolarHBondContact O-CG 3.45Å; T695-E699 PolarHBondContact O-N 3.26Å; E696-E699 PolarHBondContact O-N 2.94Å; R697-E699 VanDerWaalsContact C-N 3.29Å; R697-E699 PolarHBondContact O-N 3.16Å; E699-G701 PolarHBondContact O-N 3.09Å
700	L	68.6	Low	48.9	Very low	7 Å²	7	82.6 Å²	82.6	4%	0.037	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.8	174.4	-67	172.4	0	0	0	113.8	Q594 V597 L598 E696 R697 L698 L702	Q594-L700 HydrophobicContact CB-CD2 4.16Å; Q594-L700 HydrophobicContact CG-CD2 4.47Å; Q594-L700 WeakPolarHBondContact O-CD2 3.46Å; V597-L700 HydrophobicContact CG1-CD1 4.28Å; V597-L700 HydrophobicContact CG1-CG 4.24Å; L598-L700 HydrophobicContact CB-CD2 4.04Å; L598-L700 HydrophobicContact CD1-CD1 4Å; L598-L700 HydrophobicContact CD1-CD2 4.33Å; E696-L700 WeakPolarHBondContact O-CG 3.35Å; E696-L700 PolarHBondContact O-N 3.3Å; R697-L700 PolarHBondContact O-N 2.84Å; L698-L700 VanDerWaalsContact C-N 3.28Å; L698-L700 PolarHBondContact O-N 3.33Å; L700-L702 VanDerWaalsContact C-N 3.27Å; L700-L702 HydrophobicContact CB-CD1 3.83Å; L700-L702 HydrophobicContact CB-CG 3.95Å; L700-L702 HydrophobicContact CD1-CD1 4.08Å; L700-L702 PolarHBondContact O-N 3.05Å
701	G	64.8	Low	48.4	Very low	63 Å²	63	80.1 Å²	80.1	65%	0.649	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	18	-176.3	0	0	0	0	0	113.8	R697 L698 E699 G703	R697-G701 PolarHBondContact O-N 2.85Å; L698-G701 PolarHBondContact O-N 3.31Å; E699-G701 PolarHBondContact O-N 3.09Å; G701-G703 VanDerWaalsContact C-N 3.29Å; G701-G703 PolarHBondContact O-N 3.37Å
702	L	59.3	Low	47.3	Very low	36 Å²	36	81.7 Å²	81.7	19%	0.188	49%	0.491	C	S	.	.			trans	-92.7	31.2	-176.7	-62.4	171.5	0	0	0	112.9	R697 L700	R697-L702 HydrophobicContact CB-CB 4.47Å; R697-L702 PolarHBondContact O-N 2.98Å; L700-L702 VanDerWaalsContact C-N 3.27Å; L700-L702 HydrophobicContact CB-CD1 3.83Å; L700-L702 HydrophobicContact CB-CG 3.95Å; L700-L702 HydrophobicContact CD1-CD1 4.08Å; L700-L702 PolarHBondContact O-N 3.05Å
703	G	36.5	Very low	45.9	Very low	45 Å²	45	84.7 Å²	84.7	46%	0.464	54%	0.54	S	S	.	.			trans	-59.6	140.5	177.5	0	0	0	0	0	111.8	G701 I705	G701-G703 VanDerWaalsContact C-N 3.29Å; G701-G703 PolarHBondContact O-N 3.37Å; G703-I705 PolarHBondContact O-N 2.85Å; G703-I705 VanDerWaalsContact O-N 3.17Å
704	A	34.8	Very low	45.2	Very low	86 Å²	86	87.4 Å²	87.4	71%	0.711	56%	0.559	S	S	*	*			trans	-52	118.4	-172.4	0	0	0	0	0	112.4	E706	A704-E706 PolarHBondContact O-N 2.92Å
705	I	28.8	Very low	44.3	Very low	154 Å²	154	89.4 Å²	89.4	79%	0.79	57%	0.574	S	S	*	*			trans	-70.2	107.7	156	-63.3	171	0	0	0	104.8	G703 I707	G703-I705 PolarHBondContact O-N 2.85Å; G703-I705 VanDerWaalsContact O-N 3.17Å; I705-I707 PolarHBondContact O-N 3.5Å
706	E	26	Very low	43.1	Very low	164 Å²	164	90.7 Å²	90.7	77%	0.766	58%	0.584	S	S	*	*			trans	-59.5	109	163.1	-76.7	-176.3	163.9	0	0	107.1	A704 T708	A704-E706 PolarHBondContact O-N 2.92Å; E706-T708 PolarHBondContact O-N 3.07Å
707	I	25.6	Very low	41.6	Very low	139 Å²	139	95 Å²	95	71%	0.713	61%	0.614	S	S	*	*			trans	-67.4	88.7	162	-58.9	174.9	0	0	0	104.9	I705 D709	I705-I707 PolarHBondContact O-N 3.5Å; I707-D709 VanDerWaalsContact C-N 3.27Å; I707-D709 PolarHBondContact O-N 3.13Å
708	T	24.6	Very low	40.3	Very low	110 Å²	110	99.6 Å²	99.6	68%	0.675	65%	0.647	S	S	*	*			trans	-75.1	93.8	157.5	40.8	0	0	0	0	105.4	E706 A710	E706-T708 PolarHBondContact O-N 3.07Å; T708-A710 PolarHBondContact O-N 2.77Å
709	D	26.6	Very low	38.7	Very low	144 Å²	144	98.1 Å²	98.1	77%	0.77	65%	0.647	S	S	*	*			trans	-64	79.3	158.6	-81.2	-27.8	0	0	0	107.6	I707	I707-D709 VanDerWaalsContact C-N 3.27Å; I707-D709 PolarHBondContact O-N 3.13Å
710	A	25.3	Very low	36.5	Very low	81 Å²	81	101.7 Å²	101.7	67%	0.669	68%	0.678	S	S	*	*			trans	-95.5	86.5	156.6	0	0	0	0	0	106.2	T708 P712	T708-A710 PolarHBondContact O-N 2.77Å; A710-P712 VanDerWaalsContact O-CD 3.23Å; A710-P712 WeakPolarHBondContact O-CD 3.45Å
711	V	27.1	Very low	34	Very low	122 Å²	122	109 Å²	109	74%	0.739	73%	0.727	S	S	*	*			trans	-63	117.1	156.6	177.2	0	0	0	0	106.4
712	P	30.1	Very low	31.5	Very low	130 Å²	130	112.8 Å²	112.8	84%	0.844	73%	0.734	S	S	*	*			trans	-87	109.7	168.4	19.3	-2.3	0	0	0	108.5	A710	A710-P712 VanDerWaalsContact O-CD 3.23Å; A710-P712 WeakPolarHBondContact O-CD 3.45Å
713	G	33	Very low	28.9	Very low	143 Å²	143	119.8 Å²	119.8	100%	1.474	78%	0.783	S	S	*	*			trans	101.3	0	164.6	0	0	0	0	0	115.5

Retrieved 713 of 713 residues in 487.9 ms (Link to these results)

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