A0A096MLP8_PAPAN Loading...

procollagen-proline 4-dioxygenase

Catalyzes the post-translational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins.

AlphaFold DB (G7MTY4), UniProt , Accession A0A096MLP8, Species PAPAN (Papio anubis, Olive baboon), Gene P4HA2, Length 535 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	41.8	Very low	33.5	Very low	241 Å²	241	144.4 Å²	144.4	100%	1.187	76%	0.76	S	S	*	*				0	71.4	0	-144.1	176.1	88	0	0	109.1
2	K	38.8	Very low	33.3	Very low	199 Å²	199	151.7 Å²	151.7	87%	0.865	77%	0.77	S	S	*	*			trans	164.9	81.8	178.2	-99.8	175.3	-172.8	-173.8	0	105.5
3	L	32	Very low	33.4	Very low	148 Å²	148	154.3 Å²	154.3	78%	0.775	77%	0.773	S	S	*	*	S	Bend	trans	179.6	-3.7	170.1	-101.8	152.2	0	0	0	112.4
4	W	31.6	Very low	33.2	Very low	230 Å²	230	147.5 Å²	147.5	87%	0.871	76%	0.761	S	S	*	*	S	Bend	trans	-105.3	-1.3	-179.6	-85.3	49.7	0	0	0	114.8
5	V	37.3	Very low	33	Very low	114 Å²	114	146.3 Å²	146.3	69%	0.691	76%	0.763	S	S	*	*	S	Bend	trans	-93.1	-20	-178	-177.7	0	0	0	0	112.3
6	S	33.6	Very low	33	Very low	81 Å²	81	146.7 Å²	146.7	57%	0.566	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-17.5	-179.4	32.5	0	0	0	0	114.3
7	A	30.8	Very low	32.8	Very low	74 Å²	74	143.1 Å²	143.1	61%	0.612	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-20.4	177	0	0	0	0	0	113.3
8	L	31.8	Very low	32.8	Very low	137 Å²	137	140.7 Å²	140.7	72%	0.717	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-19.7	178.7	-98	149.6	0	0	0	113.4
9	L	30.7	Very low	33.3	Very low	127 Å²	127	139.5 Å²	139.5	67%	0.665	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-17.9	177.2	-81.1	160.3	0	0	0	113.7
10	M	29.5	Very low	34.1	Very low	165 Å²	165	141 Å²	141	81%	0.813	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-10.1	174.1	-76.4	-143.9	-77.8	0	0	114.2	W12	M10-W12 VanDerWaalsContact C-N 3.31Å
11	A	30.3	Very low	35.1	Very low	72 Å²	72	135.5 Å²	135.5	60%	0.595	73%	0.726	S	S	*	*	S	Bend	trans	-84.1	-3.8	173	0	0	0	0	0	113.4
12	W	31.8	Very low	36	Very low	232 Å²	232	126.8 Å²	126.8	88%	0.879	68%	0.682	S	S	*	*	S	Bend	trans	-97.6	-4.4	-177.4	-126.2	38.9	0	0	0	114.9	M10	M10-W12 VanDerWaalsContact C-N 3.31Å
13	F	33.4	Very low	37.2	Very low	186 Å²	186	118.9 Å²	118.9	82%	0.816	65%	0.648	S	S	*	*	S	Bend	trans	-103.3	9.3	173.5	-88.1	-82.3	0	0	0	113.5
14	G	31.3	Very low	38.8	Very low	59 Å²	59	112.9 Å²	112.9	61%	0.608	62%	0.615	S	S	*	*	S	Bend	trans	-112.2	17.3	-167.6	0	0	0	0	0	116.5
15	V	30.9	Very low	40.2	Very low	130 Å²	130	102 Å²	102	79%	0.788	57%	0.574	S	S	*	*			trans	-153.9	55.2	167.6	-162.1	0	0	0	0	109.9	S17	V15-S17 VanDerWaalsContact C-N 3.28Å; V15-S17 PolarHBondContact O-N 3.48Å
16	L	31.8	Very low	41.7	Very low	152 Å²	152	96.5 Å²	96.5	80%	0.796	54%	0.541	S	S	*	.			trans	-91.5	83.2	150.2	-81.9	159.9	0	0	0	104.7	C18	L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 2.97Å
17	S	29.3	Very low	43.4	Very low	86 Å²	86	94.5 Å²	94.5	60%	0.601	52%	0.524	S	S	*	.			trans	-52	107.4	154.1	45.8	0	0	0	0	105.3	V15 V19	V15-S17 VanDerWaalsContact C-N 3.28Å; V15-S17 PolarHBondContact O-N 3.48Å; S17-V19 PolarHBondContact O-N 2.99Å
18	C	34.1	Very low	45.1	Very low	99 Å²	99	91.5 Å²	91.5	67%	0.669	50%	0.5	S	S	*	.			trans	-55.8	98.1	166.7	-85.9	0	0	0	0	105.8	L16 Q20	L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 2.97Å; C18-Q20 PolarHBondContact O-N 2.93Å
19	V	41.6	Very low	47	Very low	118 Å²	118	86.5 Å²	86.5	72%	0.715	47%	0.473	S	S	*	.			trans	-66.6	108	170.9	179.1	0	0	0	0	104	S17 A21	S17-V19 PolarHBondContact O-N 2.99Å; V19-A21 PolarHBondContact O-N 3.34Å
20	Q	48.6	Very low	49.2	Very low	170 Å²	170	82.9 Å²	82.9	79%	0.794	45%	0.453	S	S	*	.			trans	-54.2	108.5	167.2	-79.5	170.9	-68.8	0	0	106.7	C18	C18-Q20 PolarHBondContact O-N 2.93Å
21	A	56.3	Low	51.5	Low	26 Å²	26	77.6 Å²	77.6	22%	0.215	43%	0.43	C	S	.	.			trans	-105.5	111.4	-174.9	0	0	0	0	0	107.6	V19 F23	V19-A21 PolarHBondContact O-N 3.34Å; A21-F23 WeakPolarHBondContact O-CD2 3.42Å; A21-F23 WeakPolarHBondContact O-CE2 3.44Å; A21-F23 PolarHBondContact O-N 3.35Å
22	E	61.1	Low	53.9	Low	58 Å²	58	77.9 Å²	77.9	27%	0.271	42%	0.422	S	S	.	.			trans	-56.6	109.6	170.8	-75.4	-176.7	152.3	0	0	109.2	F24 T25 D128 R363 K383	E22-F24 HydrophobicContact CB-CD1 4.24Å; E22-F24 HydrophobicContact CB-CE1 3.8Å; E22-F24 HydrophobicContact CB-CZ 4.49Å; E22-F24 HydrophobicContact CG-CE1 3.94Å; E22-T25 HydrophobicContact CB-CG2 3.91Å; E22-T25 PolarHBondContact O-OG1 2.82Å; E22-D128 WeakPolarHBondContact CA-OD1 3.5Å; E22-R363 WeakPolarHBondContact OE2-CD 3.19Å; E22-R363 IonicContact OE2-CZ 3.67Å; E22-R363 IonicContact OE2-NE 3.97Å; E22-R363 PolarHBondContact OE2-NE 2.88Å; E22-R363 IonicContact OE2-NH1 3.15Å; E22-R363 IonicContact OE2-NH2 2.73Å; E22-R363 PolarHBondContact OE2-NH2 2.82Å; E22-K383 WeakPolarHBondContact O-CE 3.07Å; E22-K383 PolarHBondContact O-NZ 2.79Å
23	F	63.6	Low	56.5	Low	33 Å²	33	68.7 Å²	68.7	15%	0.145	39%	0.39	C	S	.	.	S	Bend	trans	-75.6	-41.9	-169.4	-73.6	-86.4	0	0	0	112	A21 T25 S26 H29 M30 L33 F122 P124 D128	A21-F23 WeakPolarHBondContact O-CD2 3.42Å; A21-F23 WeakPolarHBondContact O-CE2 3.44Å; A21-F23 PolarHBondContact O-N 3.35Å; F23-T25 PolarHBondContact O-N 3.06Å; F23-S26 PolarHBondContact O-N 3.38Å; F23-S26 VanDerWaalsContact O-O 3.09Å; F23-H29 HydrophobicContact CD1-CB 3.87Å; F23-H29 HydrophobicContact CE1-CB 4.38Å; F23-M30 WeakPolarHBondContact O-CG 3.47Å; F23-L33 HydrophobicContact CB-CD1 4.12Å; F23-L33 HydrophobicContact CD1-CD1 3.75Å; F23-L33 HydrophobicContact CD1-CD2 4.21Å; F23-L33 HydrophobicContact CD1-CG 4.06Å; F23-L33 HydrophobicContact CE1-CD1 4.36Å; F23-L33 HydrophobicContact CE1-CD2 3.98Å; F23-L33 HydrophobicContact CE1-CG 4.28Å; F23-L33 HydrophobicContact CG-CD1 3.97Å; F23-L33 HydrophobicContact CZ-CD2 4.43Å; F23-F122 WeakPolarHBondContact CZ-O 3.38Å; F23-P124 HydrophobicContact CD2-CB 4.28Å; F23-P124 HydrophobicContact CD2-CG 4.3Å; F23-D128 PolarHBondContact N-OD1 3.47Å
24	F	65.6	Low	59	Low	22 Å²	22	65 Å²	65	10%	0.096	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.7	-176.6	69.1	-84.7	0	0	0	113.5	E22 S26 D128 A132 V381	E22-F24 HydrophobicContact CB-CD1 4.24Å; E22-F24 HydrophobicContact CB-CE1 3.8Å; E22-F24 HydrophobicContact CB-CZ 4.49Å; E22-F24 HydrophobicContact CG-CE1 3.94Å; F24-S26 VanDerWaalsContact C-N 3.27Å; F24-S26 PolarHBondContact O-N 2.95Å; F24-D128 HydrophobicContact CD1-CB 4.31Å; F24-A132 HydrophobicContact CB-CB 4.22Å; F24-V381 HydrophobicContact CE2-CG1 4.11Å
25	T	61.5	Low	61.6	Low	0 Å²	0	69 Å²	69	0%	0	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.8	-176.6	66.4	0	0	0	0	113.6	E22 F23 R363 V381 K383 G422	E22-T25 HydrophobicContact CB-CG2 3.91Å; E22-T25 PolarHBondContact O-OG1 2.82Å; F23-T25 PolarHBondContact O-N 3.06Å; T25-R363 VanDerWaalsContact CG2-CZ 3.46Å; T25-V381 HydrophobicContact CG2-CG1 4.03Å; T25-K383 WeakPolarHBondContact OG1-CE 3.33Å; T25-K383 WeakPolarHBondContact OG1-CG 3.49Å; T25-G422 PolarHBondContact O-N 3.14Å; T25-G422 VanDerWaalsContact O-N 3.08Å
26	S	67.7	Low	64.3	Low	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.342	C	S	.	.			trans	-144.5	119.2	178.5	178.8	0	0	0	0	113.3	F23 F24 G28 H29 M30 N420	F23-S26 PolarHBondContact O-N 3.38Å; F23-S26 VanDerWaalsContact O-O 3.09Å; F24-S26 VanDerWaalsContact C-N 3.27Å; F24-S26 PolarHBondContact O-N 2.95Å; S26-G28 PolarHBondContact O-N 3.42Å; S26-G28 PolarHBondContact OG-N 3Å; S26-H29 PolarHBondContact O-N 3.27Å; S26-M30 PolarHBondContact O-N 3.06Å; S26-N420 WeakPolarHBondContact CA-OD1 3.13Å; S26-N420 VanDerWaalsContact CB-OD1 3.24Å; S26-N420 WeakPolarHBondContact CB-OD1 3.35Å; S26-N420 PolarHBondContact OG-OD1 3.5Å
27	I	69.3	Low	67.1	Low	39 Å²	39	62.1 Å²	62.1	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-30.1	172.8	-74.1	165.5	0	0	0	112	H29 M30 T31 N420 G509 C510	I27-H29 VanDerWaalsContact C-N 3.27Å; I27-H29 PolarHBondContact O-N 2.89Å; I27-M30 HydrophobicContact CB-CE 4.17Å; I27-M30 HydrophobicContact CG1-CE 3.37Å; I27-M30 PolarHBondContact O-N 3.25Å; I27-T31 PolarHBondContact O-N 3.18Å; I27-T31 PolarHBondContact O-OG1 3.22Å; I27-N420 PolarHBondContact N-OD1 2.97Å; I27-G509 WeakPolarHBondContact CD1-O 3.25Å; I27-C510 HydrophobicContact CB-CB 4.29Å; I27-C510 HydrophobicContact CD1-CB 3.44Å; I27-C510 VanDerWaalsContact CD1-CB 3.44Å; I27-C510 HydrophobicContact CG1-CB 4.43Å; I27-C510 HydrophobicContact CG2-CB 4.35Å
28	G	67.3	Low	70	Confident	11 Å²	11	65.2 Å²	65.2	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-41.2	176.4	0	0	0	0	0	112.5	S26 K358	S26-G28 PolarHBondContact O-N 3.42Å; S26-G28 PolarHBondContact OG-N 3Å; G28-K358 VanDerWaalsContact O-CE 3.24Å; G28-K358 WeakPolarHBondContact O-CE 2.98Å; G28-K358 PolarHBondContact O-NZ 2.86Å
29	H	70.5	Confident	72.6	Confident	32 Å²	32	65.8 Å²	65.8	15%	0.148	33%	0.328	C	S	.	.	H	α-helix	trans	-80.1	-36.1	176.9	-68.8	-162.7	0	0	0	111.9	F23 S26 I27 T31 D32 L33 K383	F23-H29 HydrophobicContact CD1-CB 3.87Å; F23-H29 HydrophobicContact CE1-CB 4.38Å; S26-H29 PolarHBondContact O-N 3.27Å; I27-H29 VanDerWaalsContact C-N 3.27Å; I27-H29 PolarHBondContact O-N 2.89Å; H29-T31 PolarHBondContact O-N 3.47Å; H29-D32 WeakPolarHBondContact O-CB 3.4Å; H29-D32 PolarHBondContact O-N 3.27Å; H29-D32 VanDerWaalsContact O-N 3.13Å; H29-L33 PolarHBondContact O-N 3.07Å; H29-K383 PolarHBondContact CE1-NZ 2.84Å; H29-K383 PolarHBondContact ND1-NZ 3.21Å
30	M	77.5	Confident	75	Confident	51 Å²	51	61 Å²	61	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-30.9	176.1	-64.7	-167.4	-62.1	0	0	112.9	F23 S26 I27 D32 L33 I34 V423	F23-M30 WeakPolarHBondContact O-CG 3.47Å; S26-M30 PolarHBondContact O-N 3.06Å; I27-M30 HydrophobicContact CB-CE 4.17Å; I27-M30 HydrophobicContact CG1-CE 3.37Å; I27-M30 PolarHBondContact O-N 3.25Å; M30-D32 PolarHBondContact O-N 3.01Å; M30-L33 WeakPolarHBondContact O-CB 3.34Å; M30-L33 PolarHBondContact O-N 3.48Å; M30-L33 VanDerWaalsContact O-N 3.16Å; M30-I34 PolarHBondContact O-N 3.28Å; M30-V423 HydrophobicContact CE-CG2 4.2Å
31	T	78.4	Confident	77.2	Confident	54 Å²	54	56 Å²	56	33%	0.331	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-36.5	175.5	-56.3	0	0	0	0	111.2	I27 H29 L33 I34 Y35	I27-T31 PolarHBondContact O-N 3.18Å; I27-T31 PolarHBondContact O-OG1 3.22Å; H29-T31 PolarHBondContact O-N 3.47Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 3.13Å; T31-I34 PolarHBondContact O-N 3.26Å; T31-Y35 HydrophobicContact CG2-CD2 4.43Å; T31-Y35 HydrophobicContact CG2-CE2 3.83Å; T31-Y35 WeakPolarHBondContact O-CD2 3.4Å
32	D	80.6	Confident	78.9	Confident	78 Å²	78	59.3 Å²	59.3	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-69.3	-32.4	179.1	-56.3	-30.7	0	0	0	110.8	H29 M30 Y35 A36 K358	H29-D32 WeakPolarHBondContact O-CB 3.4Å; H29-D32 PolarHBondContact O-N 3.27Å; H29-D32 VanDerWaalsContact O-N 3.13Å; M30-D32 PolarHBondContact O-N 3.01Å; D32-Y35 PolarHBondContact O-N 3.3Å; D32-A36 PolarHBondContact O-N 3.02Å; D32-A36 VanDerWaalsContact O-N 3.14Å; D32-K358 IonicContact OD1-NZ 3.96Å; D32-K358 PolarHBondContact OD1-NZ 3.39Å; D32-K358 IonicContact OD2-NZ 3.16Å; D32-K358 PolarHBondContact OD2-NZ 3.29Å
33	L	86.2	Confident	80.5	Confident	39 Å²	39	57.2 Å²	57.2	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-37.3	175.1	-62.1	176.7	0	0	0	113	F23 H29 M30 T31 Y35 A36 E37 F122 P124	F23-L33 HydrophobicContact CB-CD1 4.12Å; F23-L33 HydrophobicContact CD1-CD1 3.75Å; F23-L33 HydrophobicContact CD1-CD2 4.21Å; F23-L33 HydrophobicContact CD1-CG 4.06Å; F23-L33 HydrophobicContact CE1-CD1 4.36Å; F23-L33 HydrophobicContact CE1-CD2 3.98Å; F23-L33 HydrophobicContact CE1-CG 4.28Å; F23-L33 HydrophobicContact CG-CD1 3.97Å; F23-L33 HydrophobicContact CZ-CD2 4.43Å; H29-L33 PolarHBondContact O-N 3.07Å; M30-L33 WeakPolarHBondContact O-CB 3.34Å; M30-L33 PolarHBondContact O-N 3.48Å; M30-L33 VanDerWaalsContact O-N 3.16Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 3.13Å; L33-Y35 VanDerWaalsContact C-N 3.29Å; L33-Y35 PolarHBondContact O-N 2.95Å; L33-A36 PolarHBondContact O-N 3.41Å; L33-E37 PolarHBondContact O-N 3.31Å; L33-F122 WeakPolarHBondContact CD2-O 3.11Å; L33-P124 HydrophobicContact CD1-CG 3.61Å
34	I	86.3	Confident	82	Confident	107 Å²	107	58.8 Å²	58.8	55%	0.549	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-40.7	177.3	-65.4	173.9	0	0	0	110.6	M30 T31 K38	M30-I34 PolarHBondContact O-N 3.28Å; T31-I34 PolarHBondContact O-N 3.26Å; I34-K38 WeakPolarHBondContact O-CB 3.31Å; I34-K38 PolarHBondContact O-N 2.92Å
35	Y	86.2	Confident	83.5	Confident	143 Å²	143	63.2 Å²	63.2	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-68.4	-40.8	177.1	-67.8	-65.3	0	0	0	111.7	T31 D32 L33 K38 E39	T31-Y35 HydrophobicContact CG2-CD2 4.43Å; T31-Y35 HydrophobicContact CG2-CE2 3.83Å; T31-Y35 WeakPolarHBondContact O-CD2 3.4Å; D32-Y35 PolarHBondContact O-N 3.3Å; L33-Y35 VanDerWaalsContact C-N 3.29Å; L33-Y35 PolarHBondContact O-N 2.95Å; Y35-K38 WeakPolarHBondContact O-CB 3.44Å; Y35-K38 PolarHBondContact O-N 2.82Å; Y35-E39 PolarHBondContact O-N 3.06Å
36	A	86.8	Confident	85	Confident	13 Å²	13	68.1 Å²	68.1	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.2	0	0	0	0	0	112.1	D32 L33 K38 E39 L40	D32-A36 PolarHBondContact O-N 3.02Å; D32-A36 VanDerWaalsContact O-N 3.14Å; L33-A36 PolarHBondContact O-N 3.41Å; A36-K38 PolarHBondContact O-N 3.48Å; A36-E39 PolarHBondContact O-N 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 3.33Å
37	E	90.3	Very high	86.4	Confident	126 Å²	126	71.6 Å²	71.6	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-60.6	-44.9	175.3	-176.3	-178.5	-152.3	0	0	111.4	L33 E39 L40 V41	L33-E37 PolarHBondContact O-N 3.31Å; E37-E39 VanDerWaalsContact C-N 3.3Å; E37-E39 PolarHBondContact O-N 2.95Å; E37-L40 PolarHBondContact O-N 3.2Å; E37-L40 VanDerWaalsContact O-N 3.1Å; E37-V41 HydrophobicContact CG-CG2 4.48Å; E37-V41 WeakPolarHBondContact O-CG2 3.49Å; E37-V41 PolarHBondContact O-N 3.49Å
38	K	90.4	Very high	87.7	Confident	150 Å²	150	73.2 Å²	73.2	65%	0.652	36%	0.355	S	S	*	.	H	α-helix	trans	-58.3	-41.3	177	-178.7	179.9	174	-177.2	0	112.2	I34 Y35 A36 Q42	I34-K38 WeakPolarHBondContact O-CB 3.31Å; I34-K38 PolarHBondContact O-N 2.92Å; Y35-K38 WeakPolarHBondContact O-CB 3.44Å; Y35-K38 PolarHBondContact O-N 2.82Å; A36-K38 PolarHBondContact O-N 3.48Å; K38-Q42 PolarHBondContact O-N 3.04Å; K38-Q42 VanDerWaalsContact O-N 3.14Å
39	E	89.1	Confident	89.1	Confident	112 Å²	112	78 Å²	78	52%	0.523	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-39.9	175.3	-72.3	-175	172	0	0	112.1	Y35 A36 E37 Q42 S43 Q119	Y35-E39 PolarHBondContact O-N 3.06Å; A36-E39 PolarHBondContact O-N 3.31Å; E37-E39 VanDerWaalsContact C-N 3.3Å; E37-E39 PolarHBondContact O-N 2.95Å; E39-Q42 WeakPolarHBondContact O-CB 3.45Å; E39-Q42 PolarHBondContact O-N 3.33Å; E39-S43 PolarHBondContact O-N 2.88Å; E39-Q119 PolarHBondContact OE2-NE2 3.2Å
40	L	92.7	Very high	90.2	Very high	17 Å²	17	80.2 Å²	80.2	9%	0.089	39%	0.393	C	S	.	.	H	α-helix	trans	-67.1	-39.6	176.7	-71.9	172.5	0	0	0	112.7	A36 E37 Q42 S43 L44 L116 Q119 F123	A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 3.33Å; E37-L40 PolarHBondContact O-N 3.2Å; E37-L40 VanDerWaalsContact O-N 3.1Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 3.49Å; L40-S43 PolarHBondContact O-N 2.98Å; L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 PolarHBondContact O-N 2.83Å; L40-L116 HydrophobicContact CD1-CD1 4.06Å; L40-L116 HydrophobicContact CD2-CB 4.28Å; L40-L116 HydrophobicContact CD2-CD1 4.12Å; L40-Q119 HydrophobicContact CD1-CB 4.04Å; L40-Q119 HydrophobicContact CD1-CG 4.42Å; L40-Q119 HydrophobicContact CD2-CB 4.14Å; L40-Q119 HydrophobicContact CD2-CG 3.95Å; L40-Q119 HydrophobicContact CG-CB 4.33Å; L40-Q119 HydrophobicContact CG-CG 4.19Å; L40-F123 HydrophobicContact CD1-CE1 3.79Å; L40-F123 HydrophobicContact CD1-CZ 3.35Å
41	V	93.8	Very high	91.1	Very high	65 Å²	65	80.2 Å²	80.2	39%	0.394	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-39.5	173.8	170.6	0	0	0	0	110.8	E37 L44 K45	E37-V41 HydrophobicContact CG-CG2 4.48Å; E37-V41 WeakPolarHBondContact O-CG2 3.49Å; E37-V41 PolarHBondContact O-N 3.49Å; V41-L44 PolarHBondContact O-N 3.43Å; V41-K45 WeakPolarHBondContact O-CG 3.36Å; V41-K45 PolarHBondContact O-N 3.02Å
42	Q	92.9	Very high	92	Very high	95 Å²	95	83.1 Å²	83.1	44%	0.444	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-45	175.3	-178.8	56	34.1	0	0	111.5	K38 E39 L40 L44 K45 E46	K38-Q42 PolarHBondContact O-N 3.04Å; K38-Q42 VanDerWaalsContact O-N 3.14Å; E39-Q42 WeakPolarHBondContact O-CB 3.45Å; E39-Q42 PolarHBondContact O-N 3.33Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 3.49Å; Q42-L44 VanDerWaalsContact C-N 3.3Å; Q42-L44 PolarHBondContact O-N 2.92Å; Q42-K45 WeakPolarHBondContact O-CB 3.28Å; Q42-K45 PolarHBondContact O-N 2.88Å; Q42-E46 PolarHBondContact NE2-OE1 3.05Å; Q42-E46 PolarHBondContact O-N 3.35Å; Q42-E46 VanDerWaalsContact O-N 3.1Å
43	S	93.9	Very high	92.7	Very high	14 Å²	14	81.8 Å²	81.8	10%	0.098	40%	0.402	C	S	.	.	H	α-helix	trans	-61.9	-37.1	175.8	-169.9	0	0	0	0	112.6	E39 L40 E46 Y47 N115	E39-S43 PolarHBondContact O-N 2.88Å; L40-S43 PolarHBondContact O-N 2.98Å; S43-E46 PolarHBondContact O-N 3.44Å; S43-Y47 PolarHBondContact O-N 2.96Å; S43-N115 VanDerWaalsContact CB-ND2 3.29Å; S43-N115 WeakPolarHBondContact CB-ND2 3.28Å; S43-N115 PolarHBondContact OG-ND2 3.41Å
44	L	96.1	Very high	93.1	Very high	67 Å²	67	81.2 Å²	81.2	35%	0.351	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-42.1	174.2	-179.6	64.2	0	0	0	111.5	L40 V41 Q42 E46 Y47 I48 F112	L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 PolarHBondContact O-N 2.83Å; V41-L44 PolarHBondContact O-N 3.43Å; Q42-L44 VanDerWaalsContact C-N 3.3Å; Q42-L44 PolarHBondContact O-N 2.92Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.38Å; L44-Y47 HydrophobicContact CD1-CD1 4.02Å; L44-Y47 WeakPolarHBondContact O-CB 3.35Å; L44-Y47 PolarHBondContact O-N 3.14Å; L44-I48 HydrophobicContact CG-CD1 4.09Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.19Å; L44-I48 PolarHBondContact O-N 3.4Å; L44-F112 HydrophobicContact CB-CD2 4.25Å; L44-F112 HydrophobicContact CB-CE2 3.81Å; L44-F112 HydrophobicContact CB-CZ 4.46Å; L44-F112 HydrophobicContact CD1-CE1 4.33Å; L44-F112 HydrophobicContact CD1-CE2 4.06Å; L44-F112 HydrophobicContact CD1-CZ 3.95Å
45	K	95.2	Very high	93.6	Very high	115 Å²	115	80 Å²	80	50%	0.5	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-40.2	175.8	-73.5	173.7	-179	177	0	112.1	V41 Q42 I48 L49	V41-K45 WeakPolarHBondContact O-CG 3.36Å; V41-K45 PolarHBondContact O-N 3.02Å; Q42-K45 WeakPolarHBondContact O-CB 3.28Å; Q42-K45 PolarHBondContact O-N 2.88Å; K45-I48 PolarHBondContact O-N 3.49Å; K45-L49 WeakPolarHBondContact O-CG 3.45Å; K45-L49 PolarHBondContact O-N 2.92Å
46	E	94.6	Very high	94.1	Very high	103 Å²	103	76.7 Å²	76.7	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176.2	-72.2	166.3	-163.8	0	0	111.7	Q42 S43 L44 I48 L49 V50	Q42-E46 PolarHBondContact NE2-OE1 3.05Å; Q42-E46 PolarHBondContact O-N 3.35Å; Q42-E46 VanDerWaalsContact O-N 3.1Å; S43-E46 PolarHBondContact O-N 3.44Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.38Å; E46-I48 PolarHBondContact O-N 3.16Å; E46-L49 PolarHBondContact O-N 3.18Å; E46-V50 WeakPolarHBondContact O-CG2 3.44Å; E46-V50 PolarHBondContact O-N 3Å; E46-V50 VanDerWaalsContact O-N 3.13Å
47	Y	96.3	Very high	94.6	Very high	72 Å²	72	82.3 Å²	82.3	28%	0.282	41%	0.412	S	S	.	.	H	α-helix	trans	-57.5	-47.7	171.7	161.4	-106	0	0	0	112.1	S43 L44 L49 V50 E51 S108 A109 F112	S43-Y47 PolarHBondContact O-N 2.96Å; L44-Y47 HydrophobicContact CD1-CD1 4.02Å; L44-Y47 WeakPolarHBondContact O-CB 3.35Å; L44-Y47 PolarHBondContact O-N 3.14Å; Y47-L49 VanDerWaalsContact C-N 3.32Å; Y47-L49 PolarHBondContact O-N 3.42Å; Y47-V50 PolarHBondContact O-N 3.07Å; Y47-V50 VanDerWaalsContact O-N 3.15Å; Y47-E51 HydrophobicContact CD2-CG 4.27Å; Y47-E51 HydrophobicContact CE1-CG 4.49Å; Y47-E51 HydrophobicContact CE2-CG 3.56Å; Y47-E51 PolarHBondContact O-N 3.39Å; Y47-S108 WeakPolarHBondContact CE2-OG 3.23Å; Y47-A109 HydrophobicContact CD2-CB 4.22Å; Y47-A109 HydrophobicContact CE2-CB 3.75Å; Y47-F112 HydrophobicContact CG-CB 4.37Å
48	I	96.5	Very high	94.9	Very high	73 Å²	73	78.2 Å²	78.2	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-57	-46.1	178.2	-70.5	165.1	0	0	0	110.6	L44 K45 E46 V50 E51 E52	L44-I48 HydrophobicContact CG-CD1 4.09Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.19Å; L44-I48 PolarHBondContact O-N 3.4Å; K45-I48 PolarHBondContact O-N 3.49Å; E46-I48 PolarHBondContact O-N 3.16Å; I48-V50 VanDerWaalsContact C-N 3.31Å; I48-V50 PolarHBondContact O-N 2.94Å; I48-E51 PolarHBondContact O-N 3.44Å; I48-E52 HydrophobicContact CG2-CG 4.22Å; I48-E52 WeakPolarHBondContact O-CB 3.24Å; I48-E52 WeakPolarHBondContact O-CG 3.41Å; I48-E52 PolarHBondContact O-N 3.18Å
49	L	96	Very high	95.2	Very high	112 Å²	112	77 Å²	77	59%	0.586	39%	0.389	S	S	*	.	H	α-helix	trans	-61.2	-38.8	178.8	-71.8	171.7	0	0	0	112.7	K45 E46 Y47 A53	K45-L49 WeakPolarHBondContact O-CG 3.45Å; K45-L49 PolarHBondContact O-N 2.92Å; E46-L49 PolarHBondContact O-N 3.18Å; Y47-L49 VanDerWaalsContact C-N 3.32Å; Y47-L49 PolarHBondContact O-N 3.42Å; L49-A53 WeakPolarHBondContact O-CB 3.39Å; L49-A53 PolarHBondContact O-N 3.38Å; L49-A53 VanDerWaalsContact O-N 3.07Å
50	V	95.1	Very high	95.5	Very high	78 Å²	78	75.5 Å²	75.5	47%	0.473	39%	0.391	S	S	.	.	H	α-helix	trans	-67.2	-43.4	176.8	173.9	0	0	0	0	110.8	E46 Y47 I48 A53 K54	E46-V50 WeakPolarHBondContact O-CG2 3.44Å; E46-V50 PolarHBondContact O-N 3Å; E46-V50 VanDerWaalsContact O-N 3.13Å; Y47-V50 PolarHBondContact O-N 3.07Å; Y47-V50 VanDerWaalsContact O-N 3.15Å; I48-V50 VanDerWaalsContact C-N 3.31Å; I48-V50 PolarHBondContact O-N 2.94Å; V50-A53 PolarHBondContact O-N 2.83Å; V50-K54 WeakPolarHBondContact O-CB 3.46Å; V50-K54 PolarHBondContact O-N 3.48Å
51	E	95.9	Very high	95.6	Very high	51 Å²	51	77.1 Å²	77.1	24%	0.238	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-42.8	176.1	-91.4	-60.2	153.3	0	0	112.6	Y47 I48 A53 K54 L55 S108	Y47-E51 HydrophobicContact CD2-CG 4.27Å; Y47-E51 HydrophobicContact CE1-CG 4.49Å; Y47-E51 HydrophobicContact CE2-CG 3.56Å; Y47-E51 PolarHBondContact O-N 3.39Å; I48-E51 PolarHBondContact O-N 3.44Å; E51-A53 VanDerWaalsContact C-N 3.32Å; E51-A53 PolarHBondContact O-N 3.36Å; E51-K54 PolarHBondContact O-N 2.83Å; E51-K54 IonicContact OE1-NZ 3.57Å; E51-L55 VanDerWaalsContact O-CB 3.26Å; E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 PolarHBondContact O-N 3.29Å; E51-S108 VanDerWaalsContact CD-OG 3.29Å; E51-S108 WeakPolarHBondContact CG-OG 3.18Å; E51-S108 VanDerWaalsContact OE1-CB 3.32Å; E51-S108 WeakPolarHBondContact OE1-CB 3.41Å; E51-S108 PolarHBondContact OE1-OG 3.21Å
52	E	96.5	Very high	95.6	Very high	115 Å²	115	76.2 Å²	76.2	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-41.5	175.2	-75.2	-176.9	151.7	0	0	111.9	I48 L55 S56	I48-E52 HydrophobicContact CG2-CG 4.22Å; I48-E52 WeakPolarHBondContact O-CB 3.24Å; I48-E52 WeakPolarHBondContact O-CG 3.41Å; I48-E52 PolarHBondContact O-N 3.18Å; E52-L55 PolarHBondContact O-N 2.92Å; E52-S56 VanDerWaalsContact O-CB 3.22Å; E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3Å
53	A	95.5	Very high	95.7	Very high	50 Å²	50	76.6 Å²	76.6	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-40.7	176.1	0	0	0	0	0	112.1	L49 V50 E51 K57	L49-A53 WeakPolarHBondContact O-CB 3.39Å; L49-A53 PolarHBondContact O-N 3.38Å; L49-A53 VanDerWaalsContact O-N 3.07Å; V50-A53 PolarHBondContact O-N 2.83Å; E51-A53 VanDerWaalsContact C-N 3.32Å; E51-A53 PolarHBondContact O-N 3.36Å; A53-K57 WeakPolarHBondContact O-CG 3.47Å; A53-K57 PolarHBondContact O-N 3.18Å; A53-K57 VanDerWaalsContact O-N 3.16Å
54	K	95.6	Very high	95.5	Very high	28 Å²	28	82.3 Å²	82.3	12%	0.122	42%	0.423	C	S	.	.	H	α-helix	trans	-62.6	-50.6	173.6	174.3	-179.3	166.3	179.1	0	110.8	V50 E51 S56 K57 I58 L103 V104 Q106	V50-K54 WeakPolarHBondContact O-CB 3.46Å; V50-K54 PolarHBondContact O-N 3.48Å; E51-K54 PolarHBondContact O-N 2.83Å; E51-K54 IonicContact OE1-NZ 3.57Å; K54-S56 VanDerWaalsContact C-N 3.29Å; K54-S56 PolarHBondContact O-N 3.29Å; K54-K57 WeakPolarHBondContact O-CB 3.49Å; K54-K57 PolarHBondContact O-N 3.03Å; K54-K57 VanDerWaalsContact O-N 3.14Å; K54-I58 HydrophobicContact CG-CD1 3.95Å; K54-I58 WeakPolarHBondContact O-CG1 3.22Å; K54-I58 PolarHBondContact O-N 3.22Å; K54-L103 WeakPolarHBondContact CE-O 3.41Å; K54-L103 HydrophobicContact CG-CD1 4.3Å; K54-V104 WeakPolarHBondContact CE-O 3.28Å; K54-V104 PolarHBondContact NZ-O 2.91Å; K54-Q106 PolarHBondContact NZ-O 3.33Å
55	L	96.9	Very high	95.2	Very high	80 Å²	80	79.8 Å²	79.8	42%	0.419	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-38.8	178.5	-176.3	62.3	0	0	0	111.8	E51 E52 I58 K59	E51-L55 VanDerWaalsContact O-CB 3.26Å; E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 PolarHBondContact O-N 3.29Å; E52-L55 PolarHBondContact O-N 2.92Å; L55-I58 PolarHBondContact O-N 3.41Å; L55-K59 HydrophobicContact CD1-CG 4.5Å; L55-K59 HydrophobicContact CG-CD 4.25Å; L55-K59 HydrophobicContact CG-CG 4.48Å; L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 WeakPolarHBondContact O-CG 3.43Å; L55-K59 PolarHBondContact O-N 3.39Å
56	S	97	Very high	94.9	Very high	75 Å²	75	80.6 Å²	80.6	52%	0.524	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175	-177.4	0	0	0	0	112	E52 K54 K59 S60	E52-S56 VanDerWaalsContact O-CB 3.22Å; E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3Å; K54-S56 VanDerWaalsContact C-N 3.29Å; K54-S56 PolarHBondContact O-N 3.29Å; S56-K59 PolarHBondContact O-N 3.24Å; S56-S60 WeakPolarHBondContact O-CB 3.2Å; S56-S60 PolarHBondContact O-N 3.45Å
57	K	95.9	Very high	94.5	Very high	130 Å²	130	78.3 Å²	78.3	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-62.2	-43.6	174.1	-70	171.3	-176.6	174.9	0	111.8	A53 K54 S60 W61 L103	A53-K57 WeakPolarHBondContact O-CG 3.47Å; A53-K57 PolarHBondContact O-N 3.18Å; A53-K57 VanDerWaalsContact O-N 3.16Å; K54-K57 WeakPolarHBondContact O-CB 3.49Å; K54-K57 PolarHBondContact O-N 3.03Å; K54-K57 VanDerWaalsContact O-N 3.14Å; K57-S60 PolarHBondContact O-N 3.07Å; K57-W61 WeakPolarHBondContact O-CB 3.4Å; K57-W61 PolarHBondContact O-N 2.96Å; K57-L103 HydrophobicContact CB-CD2 3.9Å
58	I	96.2	Very high	93.9	Very high	41 Å²	41	77.6 Å²	77.6	21%	0.21	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-47.6	178	-65.9	167.2	0	0	0	110.6	K54 L55 S60 W61 A62 L100 L103 V104	K54-I58 HydrophobicContact CG-CD1 3.95Å; K54-I58 WeakPolarHBondContact O-CG1 3.22Å; K54-I58 PolarHBondContact O-N 3.22Å; L55-I58 PolarHBondContact O-N 3.41Å; I58-S60 PolarHBondContact O-N 3.33Å; I58-W61 PolarHBondContact O-N 3.06Å; I58-A62 WeakPolarHBondContact O-CB 3.34Å; I58-A62 PolarHBondContact O-N 2.82Å; I58-L100 HydrophobicContact CG1-CD1 4.31Å; I58-L103 HydrophobicContact CG1-CD2 3.88Å; I58-L103 HydrophobicContact CG1-CG 4.28Å; I58-V104 HydrophobicContact CD1-CG2 4.01Å; I58-V104 HydrophobicContact CG1-CG2 4.43Å
59	K	96.7	Very high	93.2	Very high	124 Å²	124	77.4 Å²	77.4	54%	0.539	42%	0.417	S	S	.	.	H	α-helix	trans	-57.7	-46	175.4	-76.1	176.2	177.5	175.8	0	111.6	L55 S56 W61 A62 N63	L55-K59 HydrophobicContact CD1-CG 4.5Å; L55-K59 HydrophobicContact CG-CD 4.25Å; L55-K59 HydrophobicContact CG-CG 4.48Å; L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 WeakPolarHBondContact O-CG 3.43Å; L55-K59 PolarHBondContact O-N 3.39Å; S56-K59 PolarHBondContact O-N 3.24Å; K59-W61 VanDerWaalsContact C-N 3.31Å; K59-W61 PolarHBondContact O-N 3.19Å; K59-A62 PolarHBondContact O-N 3.26Å; K59-N63 VanDerWaalsContact O-CG 3.26Å; K59-N63 PolarHBondContact O-N 3.25Å; K59-N63 PolarHBondContact O-ND2 2.85Å
60	S	95.8	Very high	92.6	Very high	80 Å²	80	75.6 Å²	75.6	56%	0.559	41%	0.414	S	S	*	.	H	α-helix	trans	-62.2	-38.8	177.3	-179	0	0	0	0	112.4	S56 K57 I58 K64	S56-S60 WeakPolarHBondContact O-CB 3.2Å; S56-S60 PolarHBondContact O-N 3.45Å; K57-S60 PolarHBondContact O-N 3.07Å; I58-S60 PolarHBondContact O-N 3.33Å; S60-K64 WeakPolarHBondContact O-CB 3.45Å; S60-K64 PolarHBondContact O-N 3.02Å
61	W	94.6	Very high	91.6	Very high	52 Å²	52	79.4 Å²	79.4	20%	0.197	42%	0.424	C	S	.	.	H	α-helix	trans	-67.9	-44.6	176.9	-170	106.4	0	0	0	111.2	K57 I58 K59 N63 K64 M65 W97 L100	K57-W61 WeakPolarHBondContact O-CB 3.4Å; K57-W61 PolarHBondContact O-N 2.96Å; I58-W61 PolarHBondContact O-N 3.06Å; K59-W61 VanDerWaalsContact C-N 3.31Å; K59-W61 PolarHBondContact O-N 3.19Å; W61-N63 PolarHBondContact O-N 3.02Å; W61-K64 WeakPolarHBondContact O-CB 3.37Å; W61-K64 PolarHBondContact O-N 3.36Å; W61-M65 HydrophobicContact CD2-CE 4.33Å; W61-M65 HydrophobicContact CD2-CG 3.87Å; W61-M65 HydrophobicContact CE3-CB 4.28Å; W61-M65 HydrophobicContact CE3-CG 3.54Å; W61-M65 HydrophobicContact CH2-CB 4.45Å; W61-M65 HydrophobicContact CH2-CG 3.43Å; W61-M65 VanDerWaalsContact CH2-CG 3.43Å; W61-M65 HydrophobicContact CH2-SD 4.36Å; W61-M65 HydrophobicContact CZ2-CE 3.97Å; W61-M65 HydrophobicContact CZ2-CG 3.75Å; W61-M65 HydrophobicContact CZ2-SD 4.27Å; W61-M65 HydrophobicContact CZ3-CB 4Å; W61-M65 HydrophobicContact CZ3-CG 3.3Å; W61-M65 PolarHBondContact O-N 3.35Å; W61-W97 AromaticContact CH2-CD2 3.63Å; W61-W97 HydrophobicContact CH2-CD2 3.63Å; W61-W97 AromaticContact CH2-CE2 3.63Å; W61-W97 AromaticContact CH2-CE3 3.75Å; W61-W97 HydrophobicContact CH2-CE3 3.75Å; W61-W97 HydrophobicContact CH2-CG 4.25Å; W61-W97 AromaticContact CH2-CH2 3.89Å; W61-W97 HydrophobicContact CH2-CH2 3.89Å; W61-W97 AromaticContact CH2-CZ2 3.78Å; W61-W97 HydrophobicContact CH2-CZ2 3.78Å; W61-W97 AromaticContact CH2-CZ3 3.87Å; W61-W97 HydrophobicContact CH2-CZ3 3.87Å; W61-W97 HydrophobicContact CZ2-CD2 4.26Å; W61-W97 HydrophobicContact CZ2-CG 4.44Å; W61-W97 HydrophobicContact CZ3-CE3 4.45Å; W61-W97 HydrophobicContact CZ3-CH2 4.05Å; W61-W97 HydrophobicContact CZ3-CZ2 4.26Å; W61-W97 HydrophobicContact CZ3-CZ3 4.15Å; W61-L100 HydrophobicContact CB-CD1 4.48Å; W61-L100 HydrophobicContact CD2-CD1 4.19Å; W61-L100 HydrophobicContact CD2-CD2 4Å; W61-L100 HydrophobicContact CD2-CG 4.48Å; W61-L100 HydrophobicContact CE3-CD1 4.35Å; W61-L100 HydrophobicContact CE3-CD2 3.58Å; W61-L100 HydrophobicContact CE3-CG 4.48Å; W61-L100 HydrophobicContact CG-CD1 4.26Å; W61-L100 HydrophobicContact CH2-CD2 3.68Å; W61-L100 HydrophobicContact CZ2-CB 4.24Å; W61-L100 HydrophobicContact CZ2-CD2 4.09Å; W61-L100 HydrophobicContact CZ3-CD2 3.42Å; W61-L100 VanDerWaalsContact CZ3-CD2 3.42Å
62	A	94.5	Very high	90.8	Very high	46 Å²	46	78.1 Å²	78.1	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-58.3	-49.3	178.2	0	0	0	0	0	111.8	I58 K59 K64 M65 E66	I58-A62 WeakPolarHBondContact O-CB 3.34Å; I58-A62 PolarHBondContact O-N 2.82Å; K59-A62 PolarHBondContact O-N 3.26Å; A62-K64 VanDerWaalsContact C-N 3.29Å; A62-K64 PolarHBondContact O-N 2.85Å; A62-M65 PolarHBondContact O-N 3.37Å; A62-E66 PolarHBondContact O-N 3.33Å
63	N	94	Very high	90	Very high	103 Å²	103	76.6 Å²	76.6	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-59.7	-39.8	177.1	-67.5	-11.6	0	0	0	112.1	K59 W61 M65 A67	K59-N63 VanDerWaalsContact O-CG 3.26Å; K59-N63 PolarHBondContact O-N 3.25Å; K59-N63 PolarHBondContact O-ND2 2.85Å; W61-N63 PolarHBondContact O-N 3.02Å; N63-M65 VanDerWaalsContact C-N 3.31Å; N63-M65 PolarHBondContact O-N 3.23Å; N63-A67 PolarHBondContact O-N 2.77Å
64	K	90.9	Very high	89.3	Confident	134 Å²	134	78.6 Å²	78.6	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-64.4	-37.2	176.3	-176.4	-179.7	179.8	-179.4	0	111.6	S60 W61 A62 L68	S60-K64 WeakPolarHBondContact O-CB 3.45Å; S60-K64 PolarHBondContact O-N 3.02Å; W61-K64 WeakPolarHBondContact O-CB 3.37Å; W61-K64 PolarHBondContact O-N 3.36Å; A62-K64 VanDerWaalsContact C-N 3.29Å; A62-K64 PolarHBondContact O-N 2.85Å; K64-L68 HydrophobicContact CG-CD1 4.34Å; K64-L68 WeakPolarHBondContact O-CD1 3.4Å; K64-L68 VanDerWaalsContact O-CG 3.31Å; K64-L68 WeakPolarHBondContact O-CG 3.49Å; K64-L68 PolarHBondContact O-N 2.94Å
65	M	89.4	Confident	88.9	Confident	14 Å²	14	81.8 Å²	81.8	7%	0.069	46%	0.462	C	S	.	.	H	α-helix	trans	-74.6	-40	178.8	-70.6	-49.1	141.9	0	0	113.1	W61 A62 N63 A67 L68 T69 R92	W61-M65 HydrophobicContact CD2-CE 4.33Å; W61-M65 HydrophobicContact CD2-CG 3.87Å; W61-M65 HydrophobicContact CE3-CB 4.28Å; W61-M65 HydrophobicContact CE3-CG 3.54Å; W61-M65 HydrophobicContact CH2-CB 4.45Å; W61-M65 HydrophobicContact CH2-CG 3.43Å; W61-M65 VanDerWaalsContact CH2-CG 3.43Å; W61-M65 HydrophobicContact CH2-SD 4.36Å; W61-M65 HydrophobicContact CZ2-CE 3.97Å; W61-M65 HydrophobicContact CZ2-CG 3.75Å; W61-M65 HydrophobicContact CZ2-SD 4.27Å; W61-M65 HydrophobicContact CZ3-CB 4Å; W61-M65 HydrophobicContact CZ3-CG 3.3Å; W61-M65 PolarHBondContact O-N 3.35Å; A62-M65 PolarHBondContact O-N 3.37Å; N63-M65 VanDerWaalsContact C-N 3.31Å; N63-M65 PolarHBondContact O-N 3.23Å; M65-A67 VanDerWaalsContact C-N 3.3Å; M65-A67 PolarHBondContact O-N 2.86Å; M65-L68 HydrophobicContact CE-CD1 4.24Å; M65-L68 CarbonylContact O-C 3.49Å; M65-L68 PolarHBondContact O-N 3.38Å; M65-L68 HydrophobicContact SD-CD1 3.96Å; M65-T69 WeakPolarHBondContact O-CG2 3.41Å; M65-T69 PolarHBondContact O-N 3.31Å; M65-T69 PolarHBondContact O-OG1 3.37Å; M65-R92 WeakPolarHBondContact SD-CD 3.45Å; M65-R92 HydrophobicContact SD-CG 4.22Å
66	E	89.3	Confident	88.4	Confident	131 Å²	131	80.5 Å²	80.5	61%	0.612	46%	0.464	S	S	*	.	H	α-helix	trans	-57.1	-43.8	174.6	-174.7	176.8	-159.6	0	0	112	A62 L68 T69 S70	A62-E66 PolarHBondContact O-N 3.33Å; E66-L68 PolarHBondContact O-N 3.46Å; E66-T69 WeakPolarHBondContact CA-OG1 3.37Å; E66-T69 PolarHBondContact O-N 3.04Å; E66-T69 PolarHBondContact O-OG1 2.58Å; E66-S70 WeakPolarHBondContact O-CB 3.48Å; E66-S70 PolarHBondContact O-N 2.67Å; E66-S70 VanDerWaalsContact O-N 3.07Å; E66-S70 PolarHBondContact O-OG 2.84Å
67	A	85.2	Confident	87.9	Confident	56 Å²	56	85.1 Å²	85.1	46%	0.463	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-25.6	175.7	0	0	0	0	0	113.5	N63 M65 S70	N63-A67 PolarHBondContact O-N 2.77Å; M65-A67 VanDerWaalsContact C-N 3.3Å; M65-A67 PolarHBondContact O-N 2.86Å; A67-S70 PolarHBondContact O-OG 3.24Å
68	L	83.6	Confident	87.4	Confident	57 Å²	57	80.7 Å²	80.7	30%	0.298	47%	0.468	S	S	.	.	H	α-helix	trans	-88	-40.4	179	-72.8	168.9	0	0	0	112.1	K64 M65 E66 S72	K64-L68 HydrophobicContact CG-CD1 4.34Å; K64-L68 WeakPolarHBondContact O-CD1 3.4Å; K64-L68 VanDerWaalsContact O-CG 3.31Å; K64-L68 WeakPolarHBondContact O-CG 3.49Å; K64-L68 PolarHBondContact O-N 2.94Å; M65-L68 HydrophobicContact CE-CD1 4.24Å; M65-L68 CarbonylContact O-C 3.49Å; M65-L68 PolarHBondContact O-N 3.38Å; M65-L68 HydrophobicContact SD-CD1 3.96Å; E66-L68 PolarHBondContact O-N 3.46Å; L68-S72 PolarHBondContact O-N 3.36Å; L68-S72 PolarHBondContact O-OG 3.07Å
69	T	83.3	Confident	86.9	Confident	68 Å²	68	80.9 Å²	80.9	42%	0.417	47%	0.467	S	S	.	.	H	α-helix	trans	-72	-37.2	-178.8	50.5	0	0	0	0	111.9	M65 E66 K71 S72 A73	M65-T69 WeakPolarHBondContact O-CG2 3.41Å; M65-T69 PolarHBondContact O-N 3.31Å; M65-T69 PolarHBondContact O-OG1 3.37Å; E66-T69 WeakPolarHBondContact CA-OG1 3.37Å; E66-T69 PolarHBondContact O-N 3.04Å; E66-T69 PolarHBondContact O-OG1 2.58Å; T69-K71 VanDerWaalsContact C-N 3.3Å; T69-K71 PolarHBondContact O-N 2.96Å; T69-S72 WeakPolarHBondContact CA-OG 3.41Å; T69-S72 PolarHBondContact O-N 2.64Å; T69-S72 PolarHBondContact O-OG 3.15Å; T69-S72 VanDerWaalsContact O-OG 3.13Å; T69-A73 VanDerWaalsContact O-CB 3.28Å; T69-A73 WeakPolarHBondContact O-CB 3.42Å; T69-A73 PolarHBondContact O-N 2.98Å
70	S	81.8	Confident	86.5	Confident	74 Å²	74	78.4 Å²	78.4	52%	0.517	46%	0.459	S	S	.	.	H	α-helix	trans	-56.4	-40.9	175	51	0	0	0	0	112.9	E66 A67	E66-S70 WeakPolarHBondContact O-CB 3.48Å; E66-S70 PolarHBondContact O-N 2.67Å; E66-S70 VanDerWaalsContact O-N 3.07Å; E66-S70 PolarHBondContact O-OG 2.84Å; A67-S70 PolarHBondContact O-OG 3.24Å
71	K	76	Confident	86.2	Confident	159 Å²	159	78.3 Å²	78.3	69%	0.691	46%	0.463	S	S	*	.	H	α-helix	trans	-74	-38	177.8	-68.5	-177.5	-179.9	-179.4	0	113.3	T69	T69-K71 VanDerWaalsContact C-N 3.3Å; T69-K71 PolarHBondContact O-N 2.96Å
72	S	77.5	Confident	85.9	Confident	23 Å²	23	80.6 Å²	80.6	16%	0.161	48%	0.476	C	S	.	.	H	α-helix	trans	-78.2	-24.5	-178.5	58.7	0	0	0	0	113.8	L68 T69 A76	L68-S72 PolarHBondContact O-N 3.36Å; L68-S72 PolarHBondContact O-OG 3.07Å; T69-S72 WeakPolarHBondContact CA-OG 3.41Å; T69-S72 PolarHBondContact O-N 2.64Å; T69-S72 PolarHBondContact O-OG 3.15Å; T69-S72 VanDerWaalsContact O-OG 3.13Å; S72-A76 WeakPolarHBondContact O-CA 3.26Å; S72-A76 PolarHBondContact O-N 3.13Å
73	A	79.6	Confident	85.6	Confident	83 Å²	83	83.4 Å²	83.4	69%	0.686	49%	0.49	S	S	*	.	H	α-helix	trans	-80	-21.5	-178.2	0	0	0	0	0	113.5	T69	T69-A73 VanDerWaalsContact O-CB 3.28Å; T69-A73 WeakPolarHBondContact O-CB 3.42Å; T69-A73 PolarHBondContact O-N 2.98Å
74	A	82.5	Confident	85.4	Confident	92 Å²	92	82.5 Å²	82.5	76%	0.76	49%	0.488	S	S	*	.	H	α-helix	trans	-73.9	-30.4	-179.4	0	0	0	0	0	113.6
75	D	85.8	Confident	85.4	Confident	95 Å²	95	78 Å²	78	51%	0.508	47%	0.47	S	S	.	.	S	Bend	trans	-152.2	84.5	174.4	174.5	16.5	0	0	0	109.4	G78 Y79	D75-G78 PolarHBondContact OD1-N 3.16Å; D75-G78 WeakPolarHBondContact OD2-CA 3.38Å; D75-Y79 WeakPolarHBondContact O-CB 3.41Å; D75-Y79 PolarHBondContact O-N 3.07Å
76	A	86.7	Confident	85.3	Confident	54 Å²	54	79 Å²	79	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-68.4	-39.4	-172.9	0	0	0	0	0	112.8	S72 L80	S72-A76 WeakPolarHBondContact O-CA 3.26Å; S72-A76 PolarHBondContact O-N 3.13Å; A76-L80 WeakPolarHBondContact O-CB 3.47Å; A76-L80 VanDerWaalsContact O-CG 3.25Å; A76-L80 WeakPolarHBondContact O-CG 3.19Å; A76-L80 PolarHBondContact O-N 3.46Å
77	E	85.8	Confident	85.5	Confident	171 Å²	171	80 Å²	80	80%	0.799	48%	0.48	S	S	*	.	H	α-helix	trans	-72.6	-46.1	-177.5	-166.7	173.8	-175.7	0	0	110.9	Y79 L80 A81	E77-Y79 PolarHBondContact O-N 2.93Å; E77-L80 PolarHBondContact O-N 3.37Å; E77-A81 WeakPolarHBondContact O-CB 3.3Å; E77-A81 PolarHBondContact O-N 3.36Å
78	G	86	Confident	85.8	Confident	37 Å²	37	82.1 Å²	82.1	38%	0.381	48%	0.479	S	S	.	.	H	α-helix	trans	-66.1	-35.8	175	0	0	0	0	0	113.1	D75	D75-G78 PolarHBondContact OD1-N 3.16Å; D75-G78 WeakPolarHBondContact OD2-CA 3.38Å
79	Y	86.1	Confident	86.2	Confident	46 Å²	46	81.8 Å²	81.8	18%	0.18	48%	0.477	C	S	.	.	H	α-helix	trans	-64.6	-42.8	174.7	-177	-93.2	0	0	0	112.2	D75 E77 N85	D75-Y79 WeakPolarHBondContact O-CB 3.41Å; D75-Y79 PolarHBondContact O-N 3.07Å; E77-Y79 PolarHBondContact O-N 2.93Å; Y79-N85 HydrophobicContact CD1-CB 3.97Å; Y79-N85 HydrophobicContact CE1-CB 3.65Å; Y79-N85 HydrophobicContact CE2-CB 4.41Å; Y79-N85 HydrophobicContact CG-CB 4.48Å; Y79-N85 WeakPolarHBondContact O-CB 3.39Å; Y79-N85 PolarHBondContact O-ND2 3.36Å
80	L	89.1	Confident	86.7	Confident	72 Å²	72	83.1 Å²	83.1	38%	0.377	49%	0.485	S	S	.	.	H	α-helix	trans	-80.7	-18.8	-178.7	-68.4	175.2	0	0	0	114	A76 E77 H82 A86 L89	A76-L80 WeakPolarHBondContact O-CB 3.47Å; A76-L80 VanDerWaalsContact O-CG 3.25Å; A76-L80 WeakPolarHBondContact O-CG 3.19Å; A76-L80 PolarHBondContact O-N 3.46Å; E77-L80 PolarHBondContact O-N 3.37Å; L80-H82 PolarHBondContact O-N 3.1Å; L80-A86 HydrophobicContact CD2-CB 4.48Å; L80-L89 HydrophobicContact CD1-CD2 4.48Å; L80-L89 HydrophobicContact CD2-CB 4.45Å; L80-L89 HydrophobicContact CD2-CD2 3.71Å
81	A	87.9	Confident	87.2	Confident	78 Å²	78	83.5 Å²	83.5	65%	0.645	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.5	172	0	0	0	0	0	112.8	E77 P83	E77-A81 WeakPolarHBondContact O-CB 3.3Å; E77-A81 PolarHBondContact O-N 3.36Å; A81-P83 WeakPolarHBondContact O-CD 3.33Å
82	H	88.9	Confident	88	Confident	100 Å²	100	76.7 Å²	76.7	46%	0.463	45%	0.447	S	S	.	.	S	Bend	trans	-83.4	116	172.9	-168.6	-80.9	0	0	0	111.1	L80 V84 N85 A86	L80-H82 PolarHBondContact O-N 3.1Å; H82-V84 VanDerWaalsContact C-N 3.26Å; H82-V84 WeakPolarHBondContact ND1-CB 3.47Å; H82-V84 PolarHBondContact ND1-N 3.3Å; H82-V84 PolarHBondContact O-N 3.05Å; H82-N85 HydrophobicContact CB-CB 4.31Å; H82-N85 WeakPolarHBondContact O-CB 3.41Å; H82-N85 PolarHBondContact O-N 3.03Å; H82-A86 PolarHBondContact O-N 3.43Å
83	P	87.7	Confident	88.8	Confident	104 Å²	104	80.5 Å²	80.5	68%	0.675	47%	0.465	S	S	*	.	H	α-helix	trans	-57.4	-32.5	-171.7	-27.4	34.9	0	0	0	115.1	A81 N85 Y87	A81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-N85 VanDerWaalsContact C-N 3.34Å; P83-Y87 PolarHBondContact O-N 3.18Å
84	V	91.2	Very high	89.5	Confident	85 Å²	85	82.3 Å²	82.3	52%	0.515	46%	0.463	S	S	.	.	H	α-helix	trans	-66.5	-36.8	176.3	-179.4	0	0	0	0	111.6	H82 Y87 K88	H82-V84 VanDerWaalsContact C-N 3.26Å; H82-V84 WeakPolarHBondContact ND1-CB 3.47Å; H82-V84 PolarHBondContact ND1-N 3.3Å; H82-V84 PolarHBondContact O-N 3.05Å; V84-Y87 PolarHBondContact O-N 2.92Å; V84-K88 HydrophobicContact CG1-CG 4.29Å; V84-K88 WeakPolarHBondContact O-CB 3.33Å; V84-K88 WeakPolarHBondContact O-CG 3.46Å; V84-K88 PolarHBondContact O-N 2.45Å
85	N	89.6	Confident	90	Very high	40 Å²	40	81.2 Å²	81.2	21%	0.214	45%	0.447	C	S	.	.	H	α-helix	trans	-71.2	-40.9	-179.6	-71.9	-14	0	0	0	110.8	Y79 H82 P83 K88 L89	Y79-N85 HydrophobicContact CD1-CB 3.97Å; Y79-N85 HydrophobicContact CE1-CB 3.65Å; Y79-N85 HydrophobicContact CE2-CB 4.41Å; Y79-N85 HydrophobicContact CG-CB 4.48Å; Y79-N85 WeakPolarHBondContact O-CB 3.39Å; Y79-N85 PolarHBondContact O-ND2 3.36Å; H82-N85 HydrophobicContact CB-CB 4.31Å; H82-N85 WeakPolarHBondContact O-CB 3.41Å; H82-N85 PolarHBondContact O-N 3.03Å; P83-N85 VanDerWaalsContact C-N 3.34Å; N85-K88 PolarHBondContact O-N 2.76Å; N85-L89 PolarHBondContact O-N 3.46Å
86	A	88.8	Confident	90.4	Very high	35 Å²	35	78.8 Å²	78.8	29%	0.289	43%	0.434	S	S	.	.	H	α-helix	trans	-58.3	-49.6	172.1	0	0	0	0	0	111.4	L80 H82 K88 L89 V90	L80-A86 HydrophobicContact CD2-CB 4.48Å; H82-A86 PolarHBondContact O-N 3.43Å; A86-K88 PolarHBondContact O-N 3.29Å; A86-L89 PolarHBondContact O-N 3.1Å; A86-V90 WeakPolarHBondContact O-CG2 3.37Å; A86-V90 PolarHBondContact O-N 3.33Å
87	Y	92.6	Very high	90.8	Very high	152 Å²	152	81.9 Å²	81.9	60%	0.596	44%	0.435	S	S	*	.	H	α-helix	trans	-58.1	-45.4	174.8	170.8	-100.7	0	0	0	112.5	P83 V84 L89 V90 K91	P83-Y87 PolarHBondContact O-N 3.18Å; V84-Y87 PolarHBondContact O-N 2.92Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 2.95Å; Y87-V90 PolarHBondContact O-N 3.5Å; Y87-K91 HydrophobicContact CE1-CD 4.35Å; Y87-K91 WeakPolarHBondContact O-CB 3.45Å; Y87-K91 PolarHBondContact O-N 2.87Å
88	K	91.9	Very high	91.3	Very high	100 Å²	100	76.2 Å²	76.2	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-37.1	-179.8	-75.7	-73.7	-68.6	178.3	0	112.6	V84 N85 A86 R92	V84-K88 HydrophobicContact CG1-CG 4.29Å; V84-K88 WeakPolarHBondContact O-CB 3.33Å; V84-K88 WeakPolarHBondContact O-CG 3.46Å; V84-K88 PolarHBondContact O-N 2.45Å; N85-K88 PolarHBondContact O-N 2.76Å; A86-K88 PolarHBondContact O-N 3.29Å; K88-R92 VanDerWaalsContact O-CB 3.28Å; K88-R92 WeakPolarHBondContact O-CB 3.39Å; K88-R92 PolarHBondContact O-N 3.41Å
89	L	91.7	Very high	91.7	Very high	49 Å²	49	77.2 Å²	77.2	26%	0.257	42%	0.417	S	S	.	.	H	α-helix	trans	-66.2	-49	174.7	175.6	63.9	0	0	0	111.2	L80 N85 A86 Y87 K91 R92 L93	L80-L89 HydrophobicContact CD1-CD2 4.48Å; L80-L89 HydrophobicContact CD2-CB 4.45Å; L80-L89 HydrophobicContact CD2-CD2 3.71Å; N85-L89 PolarHBondContact O-N 3.46Å; A86-L89 PolarHBondContact O-N 3.1Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 2.95Å; L89-K91 PolarHBondContact O-N 2.87Å; L89-R92 PolarHBondContact O-N 3.37Å; L89-L93 HydrophobicContact CD1-CD1 3.92Å; L89-L93 HydrophobicContact CD1-CG 4.17Å; L89-L93 HydrophobicContact CG-CD1 4.15Å; L89-L93 PolarHBondContact O-N 3.25Å
90	V	92.8	Very high	92.1	Very high	96 Å²	96	76.1 Å²	76.1	58%	0.582	41%	0.414	S	S	*	.	H	α-helix	trans	-59.8	-47.8	179	173.8	0	0	0	0	110.7	A86 Y87 R92 L93 N94	A86-V90 WeakPolarHBondContact O-CG2 3.37Å; A86-V90 PolarHBondContact O-N 3.33Å; Y87-V90 PolarHBondContact O-N 3.5Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.97Å; V90-L93 PolarHBondContact O-N 2.81Å; V90-N94 WeakPolarHBondContact O-CB 3.29Å; V90-N94 PolarHBondContact O-N 3.42Å
91	K	93.9	Very high	92.3	Very high	83 Å²	83	78.3 Å²	78.3	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-57.7	-44.3	175.1	178.3	179.3	175.2	175.1	0	111.8	Y87 L89 N94 T95 D96	Y87-K91 HydrophobicContact CE1-CD 4.35Å; Y87-K91 WeakPolarHBondContact O-CB 3.45Å; Y87-K91 PolarHBondContact O-N 2.87Å; L89-K91 PolarHBondContact O-N 2.87Å; K91-N94 PolarHBondContact O-N 3.15Å; K91-T95 WeakPolarHBondContact O-CA 3.41Å; K91-T95 WeakPolarHBondContact O-CB 3.4Å; K91-T95 PolarHBondContact O-N 2.96Å; K91-D96 PolarHBondContact O-N 3.01Å
92	R	93.1	Very high	92.6	Very high	15 Å²	15	80 Å²	80	6%	0.057	42%	0.421	C	S	.	.	I	π-helix	trans	-60.9	-49.9	-179	175.9	174.5	56.5	-132.8	8.9	111.2	M65 K88 L89 V90 D96 W97	M65-R92 WeakPolarHBondContact SD-CD 3.45Å; M65-R92 HydrophobicContact SD-CG 4.22Å; K88-R92 VanDerWaalsContact O-CB 3.28Å; K88-R92 WeakPolarHBondContact O-CB 3.39Å; K88-R92 PolarHBondContact O-N 3.41Å; L89-R92 PolarHBondContact O-N 3.37Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.97Å; R92-D96 HydrophobicContact CB-CB 4.46Å; R92-D96 HydrophobicContact CG-CB 4.2Å; R92-D96 PolarHBondContact O-N 3.4Å; R92-D96 VanDerWaalsContact O-N 3.07Å; R92-W97 VanDerWaalsContact O-CD1 3.31Å; R92-W97 PolarHBondContact O-N 2.93Å
93	L	93.7	Very high	92.8	Very high	104 Å²	104	76.9 Å²	76.9	55%	0.545	41%	0.407	S	S	.	.	I	π-helix	trans	-66.4	-36	179.5	-67.5	174	0	0	0	112.6	L89 V90	L89-L93 HydrophobicContact CD1-CD1 3.92Å; L89-L93 HydrophobicContact CD1-CG 4.17Å; L89-L93 HydrophobicContact CG-CD1 4.15Å; L89-L93 PolarHBondContact O-N 3.25Å; V90-L93 PolarHBondContact O-N 2.81Å
94	N	93.9	Very high	93.1	Very high	120 Å²	120	75.4 Å²	75.4	64%	0.642	40%	0.396	S	S	*	.	I	π-helix	trans	-86.1	-24.2	-176.7	-172.4	64.5	0	0	0	114.5	V90 K91	V90-N94 WeakPolarHBondContact O-CB 3.29Å; V90-N94 PolarHBondContact O-N 3.42Å; K91-N94 PolarHBondContact O-N 3.15Å
95	T	93.9	Very high	93.2	Very high	70 Å²	70	77.3 Å²	77.3	43%	0.429	40%	0.403	S	S	.	.	I	π-helix	trans	-132.2	-46.7	-170.6	-51.6	0	0	0	0	113.1	K91 A99	K91-T95 WeakPolarHBondContact O-CA 3.41Å; K91-T95 WeakPolarHBondContact O-CB 3.4Å; K91-T95 PolarHBondContact O-N 2.96Å; T95-A99 WeakPolarHBondContact O-CB 3.47Å; T95-A99 PolarHBondContact O-N 3.12Å
96	D	93.7	Very high	93.4	Very high	44 Å²	44	80.8 Å²	80.8	24%	0.235	42%	0.418	C	S	.	.	I	π-helix	trans	-74.7	-33.8	-174.5	-57.7	-17	0	0	0	112.1	K91 R92 L100	K91-D96 PolarHBondContact O-N 3.01Å; R92-D96 HydrophobicContact CB-CB 4.46Å; R92-D96 HydrophobicContact CG-CB 4.2Å; R92-D96 PolarHBondContact O-N 3.4Å; R92-D96 VanDerWaalsContact O-N 3.07Å; D96-L100 PolarHBondContact O-N 3.1Å
97	W	94.4	Very high	93.6	Very high	119 Å²	119	84.2 Å²	84.2	45%	0.451	43%	0.431	S	S	.	.	H	α-helix	trans	-69.6	-49.2	175.3	-85.5	99.5	0	0	0	112.9	W61 R92 A99 L100 E101	W61-W97 AromaticContact CH2-CD2 3.63Å; W61-W97 HydrophobicContact CH2-CD2 3.63Å; W61-W97 AromaticContact CH2-CE2 3.63Å; W61-W97 AromaticContact CH2-CE3 3.75Å; W61-W97 HydrophobicContact CH2-CE3 3.75Å; W61-W97 HydrophobicContact CH2-CG 4.25Å; W61-W97 AromaticContact CH2-CH2 3.89Å; W61-W97 HydrophobicContact CH2-CH2 3.89Å; W61-W97 AromaticContact CH2-CZ2 3.78Å; W61-W97 HydrophobicContact CH2-CZ2 3.78Å; W61-W97 AromaticContact CH2-CZ3 3.87Å; W61-W97 HydrophobicContact CH2-CZ3 3.87Å; W61-W97 HydrophobicContact CZ2-CD2 4.26Å; W61-W97 HydrophobicContact CZ2-CG 4.44Å; W61-W97 HydrophobicContact CZ3-CE3 4.45Å; W61-W97 HydrophobicContact CZ3-CH2 4.05Å; W61-W97 HydrophobicContact CZ3-CZ2 4.26Å; W61-W97 HydrophobicContact CZ3-CZ3 4.15Å; R92-W97 VanDerWaalsContact O-CD1 3.31Å; R92-W97 PolarHBondContact O-N 2.93Å; W97-A99 VanDerWaalsContact C-N 3.29Å; W97-A99 PolarHBondContact O-N 3.34Å; W97-L100 HydrophobicContact CE3-CD2 4.26Å; W97-L100 HydrophobicContact CZ3-CD2 4.22Å; W97-L100 WeakPolarHBondContact O-CB 3.12Å; W97-L100 PolarHBondContact O-N 3.07Å; W97-E101 PolarHBondContact O-N 3.47Å
98	P	96.5	Very high	93.5	Very high	51 Å²	51	78 Å²	78	33%	0.331	41%	0.41	S	S	.	.	H	α-helix	trans	-57.4	-38.2	172	-29	36.6	0	0	0	113.6	L100 E101 D102	P98-L100 VanDerWaalsContact C-N 3.27Å; P98-L100 PolarHBondContact O-N 2.93Å; P98-E101 WeakPolarHBondContact O-CB 3.32Å; P98-E101 PolarHBondContact O-N 3.46Å; P98-E101 VanDerWaalsContact O-N 3.1Å; P98-D102 PolarHBondContact O-N 3.01Å
99	A	93.7	Very high	93.6	Very high	58 Å²	58	74.2 Å²	74.2	48%	0.479	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-28.9	175.8	0	0	0	0	0	113.4	T95 W97 L103	T95-A99 WeakPolarHBondContact O-CB 3.47Å; T95-A99 PolarHBondContact O-N 3.12Å; W97-A99 VanDerWaalsContact C-N 3.29Å; W97-A99 PolarHBondContact O-N 3.34Å; A99-L103 PolarHBondContact O-N 2.98Å
100	L	94.3	Very high	93.6	Very high	23 Å²	23	74.3 Å²	74.3	12%	0.12	41%	0.405	C	S	.	.	H	α-helix	trans	-71.3	-42.4	170.2	176.9	71.6	0	0	0	110.9	I58 W61 D96 W97 P98 D102 L103 V104	I58-L100 HydrophobicContact CG1-CD1 4.31Å; W61-L100 HydrophobicContact CB-CD1 4.48Å; W61-L100 HydrophobicContact CD2-CD1 4.19Å; W61-L100 HydrophobicContact CD2-CD2 4Å; W61-L100 HydrophobicContact CD2-CG 4.48Å; W61-L100 HydrophobicContact CE3-CD1 4.35Å; W61-L100 HydrophobicContact CE3-CD2 3.58Å; W61-L100 HydrophobicContact CE3-CG 4.48Å; W61-L100 HydrophobicContact CG-CD1 4.26Å; W61-L100 HydrophobicContact CH2-CD2 3.68Å; W61-L100 HydrophobicContact CZ2-CB 4.24Å; W61-L100 HydrophobicContact CZ2-CD2 4.09Å; W61-L100 HydrophobicContact CZ3-CD2 3.42Å; W61-L100 VanDerWaalsContact CZ3-CD2 3.42Å; D96-L100 PolarHBondContact O-N 3.1Å; W97-L100 HydrophobicContact CE3-CD2 4.26Å; W97-L100 HydrophobicContact CZ3-CD2 4.22Å; W97-L100 WeakPolarHBondContact O-CB 3.12Å; W97-L100 PolarHBondContact O-N 3.07Å; P98-L100 VanDerWaalsContact C-N 3.27Å; P98-L100 PolarHBondContact O-N 2.93Å; L100-D102 VanDerWaalsContact C-N 3.32Å; L100-D102 PolarHBondContact O-N 3.13Å; L100-L103 WeakPolarHBondContact O-CB 3.27Å; L100-L103 PolarHBondContact O-N 2.83Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L100-V104 HydrophobicContact CD1-CG2 4.22Å; L100-V104 HydrophobicContact CG-CG2 4.18Å; L100-V104 VanDerWaalsContact O-CG2 3.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.36Å; L100-V104 PolarHBondContact O-N 3.21Å
101	E	93.3	Very high	93.4	Very high	118 Å²	118	72.3 Å²	72.3	55%	0.551	40%	0.404	S	S	*	.	H	α-helix	trans	-55.3	-48.2	175.1	-179.3	178.3	-171	0	0	110.7	W97 P98 L103 V104 L105	W97-E101 PolarHBondContact O-N 3.47Å; P98-E101 WeakPolarHBondContact O-CB 3.32Å; P98-E101 PolarHBondContact O-N 3.46Å; P98-E101 VanDerWaalsContact O-N 3.1Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.01Å; E101-V104 PolarHBondContact O-N 2.59Å; E101-V104 VanDerWaalsContact O-N 3.15Å; E101-L105 HydrophobicContact CG-CD1 3.79Å; E101-L105 HydrophobicContact CG-CG 4.35Å; E101-L105 WeakPolarHBondContact O-CB 3.33Å; E101-L105 WeakPolarHBondContact O-CG 3.4Å; E101-L105 PolarHBondContact O-N 3.15Å
102	D	95.2	Very high	93.4	Very high	115 Å²	115	70.2 Å²	70.2	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-56.6	-44.2	174.9	-70.4	-26.9	0	0	0	112.2	P98 L100 Q106	P98-D102 PolarHBondContact O-N 3.01Å; L100-D102 VanDerWaalsContact C-N 3.32Å; L100-D102 PolarHBondContact O-N 3.13Å; D102-Q106 PolarHBondContact O-N 3.26Å
103	L	93.8	Very high	93.4	Very high	34 Å²	34	73.6 Å²	73.6	18%	0.178	41%	0.414	C	S	.	.	H	α-helix	trans	-65.1	-41.5	177.3	178.2	64.9	0	0	0	111.8	K54 K57 I58 A99 L100 E101 Q106	K54-L103 WeakPolarHBondContact CE-O 3.41Å; K54-L103 HydrophobicContact CG-CD1 4.3Å; K57-L103 HydrophobicContact CB-CD2 3.9Å; I58-L103 HydrophobicContact CG1-CD2 3.88Å; I58-L103 HydrophobicContact CG1-CG 4.28Å; A99-L103 PolarHBondContact O-N 2.98Å; L100-L103 WeakPolarHBondContact O-CB 3.27Å; L100-L103 PolarHBondContact O-N 2.83Å; L100-L103 VanDerWaalsContact O-N 3.16Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.01Å; L103-Q106 WeakPolarHBondContact O-CB 3.48Å; L103-Q106 PolarHBondContact O-N 3.33Å
104	V	93.4	Very high	93.3	Very high	73 Å²	73	71.4 Å²	71.4	44%	0.442	41%	0.41	S	S	.	.	H	α-helix	trans	-66.1	-43.3	179.6	169.3	0	0	0	0	110.6	K54 I58 L100 E101 Q106	K54-V104 WeakPolarHBondContact CE-O 3.28Å; K54-V104 PolarHBondContact NZ-O 2.91Å; I58-V104 HydrophobicContact CD1-CG2 4.01Å; I58-V104 HydrophobicContact CG1-CG2 4.43Å; L100-V104 HydrophobicContact CD1-CG2 4.22Å; L100-V104 HydrophobicContact CG-CG2 4.18Å; L100-V104 VanDerWaalsContact O-CG2 3.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.36Å; L100-V104 PolarHBondContact O-N 3.21Å; E101-V104 PolarHBondContact O-N 2.59Å; E101-V104 VanDerWaalsContact O-N 3.15Å; V104-Q106 VanDerWaalsContact C-N 3.27Å; V104-Q106 PolarHBondContact O-N 2.77Å
105	L	94	Very high	93.1	Very high	124 Å²	124	67.9 Å²	67.9	65%	0.649	39%	0.391	S	S	*	.	H	α-helix	trans	-74.6	-12.8	179.5	-68.2	176.5	0	0	0	113.9	E101 D107	E101-L105 HydrophobicContact CG-CD1 3.79Å; E101-L105 HydrophobicContact CG-CG 4.35Å; E101-L105 WeakPolarHBondContact O-CB 3.33Å; E101-L105 WeakPolarHBondContact O-CG 3.4Å; E101-L105 PolarHBondContact O-N 3.15Å; L105-D107 PolarHBondContact O-N 2.71Å; L105-D107 VanDerWaalsContact O-N 3.15Å
106	Q	92.7	Very high	93	Very high	113 Å²	113	67 Å²	67	53%	0.528	38%	0.384	S	S	.	.			trans	-59.4	118.2	178.3	-172.2	178.3	0.3	0	0	111.1	K54 D102 L103 V104 S108	K54-Q106 PolarHBondContact NZ-O 3.33Å; D102-Q106 PolarHBondContact O-N 3.26Å; L103-Q106 WeakPolarHBondContact O-CB 3.48Å; L103-Q106 PolarHBondContact O-N 3.33Å; V104-Q106 VanDerWaalsContact C-N 3.27Å; V104-Q106 PolarHBondContact O-N 2.77Å; Q106-S108 PolarHBondContact O-N 3.09Å
107	D	92.6	Very high	92.8	Very high	108 Å²	108	68 Å²	68	58%	0.578	39%	0.394	S	S	*	.			trans	-76	108.9	175.5	-177.6	12.9	0	0	0	110.8	L105 A109 A110	L105-D107 PolarHBondContact O-N 2.71Å; L105-D107 VanDerWaalsContact O-N 3.15Å; D107-A109 WeakPolarHBondContact OD1-CA 3.19Å; D107-A109 WeakPolarHBondContact OD1-CB 3.49Å; D107-A109 PolarHBondContact OD1-N 3.01Å; D107-A110 PolarHBondContact OD1-N 3.28Å
108	S	91.3	Very high	92.5	Very high	22 Å²	22	66.2 Å²	66.2	15%	0.154	40%	0.396	C	S	.	.	S	Bend	trans	-87.9	-17.7	174.5	57.7	0	0	0	0	112.4	Y47 E51 Q106	Y47-S108 WeakPolarHBondContact CE2-OG 3.23Å; E51-S108 VanDerWaalsContact CD-OG 3.29Å; E51-S108 WeakPolarHBondContact CG-OG 3.18Å; E51-S108 VanDerWaalsContact OE1-CB 3.32Å; E51-S108 WeakPolarHBondContact OE1-CB 3.41Å; E51-S108 PolarHBondContact OE1-OG 3.21Å; Q106-S108 PolarHBondContact O-N 3.09Å
109	A	93.1	Very high	92	Very high	20 Å²	20	65.2 Å²	65.2	17%	0.165	39%	0.387	C	S	.	.	S	Bend	trans	-85.5	-19.7	-172	0	0	0	0	0	112.3	Y47 D107 G111 F112 I113	Y47-A109 HydrophobicContact CD2-CB 4.22Å; Y47-A109 HydrophobicContact CE2-CB 3.75Å; D107-A109 WeakPolarHBondContact OD1-CA 3.19Å; D107-A109 WeakPolarHBondContact OD1-CB 3.49Å; D107-A109 PolarHBondContact OD1-N 3.01Å; A109-G111 VanDerWaalsContact C-N 3.27Å; A109-G111 PolarHBondContact O-N 2.77Å; A109-G111 VanDerWaalsContact O-N 3.08Å; A109-F112 PolarHBondContact O-N 2.98Å; A109-I113 HydrophobicContact CB-CG1 4.04Å; A109-I113 WeakPolarHBondContact O-CG1 3.42Å; A109-I113 PolarHBondContact O-N 3.2Å
110	A	91.6	Very high	91.6	Very high	51 Å²	51	71.1 Å²	71.1	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-44.3	-46.4	-176.7	0	0	0	0	0	114.3	D107 A114	D107-A110 PolarHBondContact OD1-N 3.28Å; A110-A114 VanDerWaalsContact O-CB 3.25Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 3.4Å
111	G	89.4	Confident	91	Very high	54 Å²	54	76.6 Å²	76.6	56%	0.557	42%	0.422	S	S	*	.	H	α-helix	trans	-66	-45.6	180	0	0	0	0	0	113.2	A109 N115	A109-G111 VanDerWaalsContact C-N 3.27Å; A109-G111 PolarHBondContact O-N 2.77Å; A109-G111 VanDerWaalsContact O-N 3.08Å; G111-N115 PolarHBondContact O-N 3.17Å; G111-N115 VanDerWaalsContact O-N 3.13Å
112	F	93	Very high	90.3	Very high	39 Å²	39	76.3 Å²	76.3	17%	0.171	42%	0.419	C	S	.	.	H	α-helix	trans	-65.4	-45.9	176.8	170.4	-107.1	0	0	0	111.7	L44 Y47 A109 A114 N115 L116	L44-F112 HydrophobicContact CB-CD2 4.25Å; L44-F112 HydrophobicContact CB-CE2 3.81Å; L44-F112 HydrophobicContact CB-CZ 4.46Å; L44-F112 HydrophobicContact CD1-CE1 4.33Å; L44-F112 HydrophobicContact CD1-CE2 4.06Å; L44-F112 HydrophobicContact CD1-CZ 3.95Å; Y47-F112 HydrophobicContact CG-CB 4.37Å; A109-F112 PolarHBondContact O-N 2.98Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.39Å; F112-N115 PolarHBondContact O-N 3.19Å; F112-L116 HydrophobicContact CE1-CD2 4.26Å; F112-L116 HydrophobicContact CZ-CD2 4.27Å; F112-L116 WeakPolarHBondContact O-CB 3.38Å; F112-L116 PolarHBondContact O-N 3.08Å
113	I	93.8	Very high	89.8	Confident	86 Å²	86	74.5 Å²	74.5	44%	0.441	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-38.6	179.7	-63.3	-61.3	0	0	0	111.3	A109 S117	A109-I113 HydrophobicContact CB-CG1 4.04Å; A109-I113 WeakPolarHBondContact O-CG1 3.42Å; A109-I113 PolarHBondContact O-N 3.2Å; I113-S117 VanDerWaalsContact O-CB 3.25Å; I113-S117 WeakPolarHBondContact O-CB 3.49Å; I113-S117 PolarHBondContact O-N 3.21Å; I113-S117 PolarHBondContact O-OG 3.1Å
114	A	91.7	Very high	89.4	Confident	57 Å²	57	76 Å²	76	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-63.5	-46.2	175	0	0	0	0	0	111.5	A110 F112 S117 V118	A110-A114 VanDerWaalsContact O-CB 3.25Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 3.4Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.39Å; A114-S117 PolarHBondContact O-N 2.95Å; A114-V118 WeakPolarHBondContact O-CG2 3.43Å; A114-V118 PolarHBondContact O-N 3.45Å; A114-V118 VanDerWaalsContact O-N 3.11Å
115	N	89.4	Confident	88.9	Confident	47 Å²	47	75.5 Å²	75.5	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-47.3	177.6	-169.3	22.1	0	0	0	111.8	S43 G111 F112 S117 V118 Q119	S43-N115 VanDerWaalsContact CB-ND2 3.29Å; S43-N115 WeakPolarHBondContact CB-ND2 3.28Å; S43-N115 PolarHBondContact OG-ND2 3.41Å; G111-N115 PolarHBondContact O-N 3.17Å; G111-N115 VanDerWaalsContact O-N 3.13Å; F112-N115 PolarHBondContact O-N 3.19Å; N115-S117 VanDerWaalsContact C-N 3.27Å; N115-S117 PolarHBondContact O-N 2.94Å; N115-V118 PolarHBondContact O-N 3.24Å; N115-Q119 WeakPolarHBondContact O-CG 3.45Å; N115-Q119 PolarHBondContact O-N 3.02Å
116	L	91.7	Very high	88.2	Confident	52 Å²	52	75.6 Å²	75.6	27%	0.272	42%	0.416	S	S	.	.	H	α-helix	trans	-56.7	-42.5	175.2	-179.2	61.4	0	0	0	111.5	L40 F112 V118 Q119 R120 F123	L40-L116 HydrophobicContact CD1-CD1 4.06Å; L40-L116 HydrophobicContact CD2-CB 4.28Å; L40-L116 HydrophobicContact CD2-CD1 4.12Å; F112-L116 HydrophobicContact CE1-CD2 4.26Å; F112-L116 HydrophobicContact CZ-CD2 4.27Å; F112-L116 WeakPolarHBondContact O-CB 3.38Å; F112-L116 PolarHBondContact O-N 3.08Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 3.18Å; L116-Q119 PolarHBondContact O-N 2.81Å; L116-R120 WeakPolarHBondContact O-CB 3.36Å; L116-R120 PolarHBondContact O-N 3.39Å; L116-F123 HydrophobicContact CD1-CE2 4.43Å; L116-F123 HydrophobicContact CD1-CZ 4.36Å
117	S	89.9	Confident	87.6	Confident	64 Å²	64	76.7 Å²	76.7	45%	0.448	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-33.9	-179	-59.8	0	0	0	0	113	I113 A114 N115	I113-S117 VanDerWaalsContact O-CB 3.25Å; I113-S117 WeakPolarHBondContact O-CB 3.49Å; I113-S117 PolarHBondContact O-N 3.21Å; I113-S117 PolarHBondContact O-OG 3.1Å; A114-S117 PolarHBondContact O-N 2.95Å; N115-S117 VanDerWaalsContact C-N 3.27Å; N115-S117 PolarHBondContact O-N 2.94Å
118	V	88	Confident	87.1	Confident	81 Å²	81	72.1 Å²	72.1	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-69.7	-48.6	173.7	172.1	0	0	0	0	110.4	A114 N115 L116 R120 Q121	A114-V118 WeakPolarHBondContact O-CG2 3.43Å; A114-V118 PolarHBondContact O-N 3.45Å; A114-V118 VanDerWaalsContact O-N 3.11Å; N115-V118 PolarHBondContact O-N 3.24Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 3.18Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.03Å; V118-Q121 PolarHBondContact O-N 2.67Å
119	Q	85.6	Confident	86.7	Confident	30 Å²	30	77 Å²	77	14%	0.14	42%	0.417	C	S	.	.	H	α-helix	trans	-67.5	-33.8	-177.8	-65.3	-68.1	-3.3	0	0	112.6	E39 L40 N115 L116 Q121 F122 F123	E39-Q119 PolarHBondContact OE2-NE2 3.2Å; L40-Q119 HydrophobicContact CD1-CB 4.04Å; L40-Q119 HydrophobicContact CD1-CG 4.42Å; L40-Q119 HydrophobicContact CD2-CB 4.14Å; L40-Q119 HydrophobicContact CD2-CG 3.95Å; L40-Q119 HydrophobicContact CG-CB 4.33Å; L40-Q119 HydrophobicContact CG-CG 4.19Å; N115-Q119 WeakPolarHBondContact O-CG 3.45Å; N115-Q119 PolarHBondContact O-N 3.02Å; L116-Q119 PolarHBondContact O-N 2.81Å; Q119-Q121 PolarHBondContact O-N 3.28Å; Q119-F122 PolarHBondContact O-N 3.02Å; Q119-F123 HydrophobicContact CB-CE1 4.09Å; Q119-F123 VanDerWaalsContact O-CD1 3.25Å; Q119-F123 WeakPolarHBondContact O-CD1 3.49Å
120	R	85.9	Confident	86.2	Confident	182 Å²	182	78.9 Å²	78.9	69%	0.687	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-57.6	-24	179.2	-173	174.2	-175	173.7	3.8	113.5	L116 V118 F122 F123	L116-R120 WeakPolarHBondContact O-CB 3.36Å; L116-R120 PolarHBondContact O-N 3.39Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.03Å; R120-F122 PolarHBondContact O-N 2.88Å; R120-F123 HydrophobicContact CG-CD2 4.47Å; R120-F123 PolarHBondContact O-N 3.29Å
121	Q	81.2	Confident	85.7	Confident	138 Å²	138	77 Å²	77	65%	0.645	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.3	175.3	-60.3	-178.9	12.3	0	0	112.9	V118 Q119	V118-Q121 PolarHBondContact O-N 2.67Å; Q119-Q121 PolarHBondContact O-N 3.28Å
122	F	80	Confident	85.6	Confident	112 Å²	112	76.3 Å²	76.3	49%	0.491	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-110.3	6.5	-179	-51.4	-73.5	0	0	0	112.7	F23 L33 Q119 R120	F23-F122 WeakPolarHBondContact CZ-O 3.38Å; L33-F122 WeakPolarHBondContact CD2-O 3.11Å; Q119-F122 PolarHBondContact O-N 3.02Å; R120-F122 PolarHBondContact O-N 2.88Å
123	F	84.2	Confident	85.4	Confident	77 Å²	77	75 Å²	75	34%	0.338	39%	0.394	S	S	.	.	S	Bend	trans	-74.7	153.7	179.9	-82.4	19	0	0	0	111.7	L40 L116 Q119 R120	L40-F123 HydrophobicContact CD1-CE1 3.79Å; L40-F123 HydrophobicContact CD1-CZ 3.35Å; L116-F123 HydrophobicContact CD1-CE2 4.43Å; L116-F123 HydrophobicContact CD1-CZ 4.36Å; Q119-F123 HydrophobicContact CB-CE1 4.09Å; Q119-F123 VanDerWaalsContact O-CD1 3.25Å; Q119-F123 WeakPolarHBondContact O-CD1 3.49Å; R120-F123 HydrophobicContact CG-CD2 4.47Å; R120-F123 PolarHBondContact O-N 3.29Å
124	P	84.8	Confident	85	Confident	65 Å²	65	74.9 Å²	74.9	42%	0.422	39%	0.391	S	S	.	.			trans	-57.1	152.7	166.1	-20.7	32.8	0	0	0	111.8	F23 L33 D128	F23-P124 HydrophobicContact CD2-CB 4.28Å; F23-P124 HydrophobicContact CD2-CG 4.3Å; L33-P124 HydrophobicContact CD1-CG 3.61Å; P124-D128 WeakPolarHBondContact CA-OD2 3.22Å; P124-D128 HydrophobicContact CB-CB 3.72Å
125	T	83.7	Confident	84.9	Confident	63 Å²	63	72.3 Å²	72.3	39%	0.387	37%	0.369	S	S	.	.			trans	-100.7	174.4	174.1	69.8	0	0	0	0	111.3	E127 D128 E129	T125-E127 PolarHBondContact O-N 2.88Å; T125-E127 PolarHBondContact OG1-N 2.91Å; T125-D128 PolarHBondContact N-OD2 3.34Å; T125-D128 WeakPolarHBondContact O-CB 3.44Å; T125-D128 PolarHBondContact O-N 3.24Å; T125-D128 PolarHBondContact OG1-OD2 3.01Å; T125-E129 PolarHBondContact O-N 3.49Å
126	D	79.3	Confident	85	Confident	127 Å²	127	72.2 Å²	72.2	68%	0.679	37%	0.368	S	S	*	.	H	α-helix	trans	-56.1	-31.4	173	-57.2	-5.5	0	0	0	112.1	D128 E129 I130	D126-D128 VanDerWaalsContact C-N 3.33Å; D126-D128 PolarHBondContact O-N 3.27Å; D126-E129 PolarHBondContact O-N 3.33Å; D126-I130 VanDerWaalsContact O-CG1 3.3Å; D126-I130 WeakPolarHBondContact O-CG1 3.46Å; D126-I130 PolarHBondContact O-N 3.16Å
127	E	80.1	Confident	85	Confident	136 Å²	136	70.2 Å²	70.2	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-66.3	-35.4	175.6	-65.2	-176.8	163.6	0	0	112.1	T125 G131	T125-E127 PolarHBondContact O-N 2.88Å; T125-E127 PolarHBondContact OG1-N 2.91Å; E127-G131 PolarHBondContact O-N 2.97Å
128	D	81.4	Confident	85.1	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.064	34%	0.344	C	S	.	.	H	α-helix	trans	-69	-39.5	176.8	-71.6	-63	0	0	0	111.9	E22 F23 F24 P124 T125 D126 G131 A132	E22-D128 WeakPolarHBondContact CA-OD1 3.5Å; F23-D128 PolarHBondContact N-OD1 3.47Å; F24-D128 HydrophobicContact CD1-CB 4.31Å; P124-D128 WeakPolarHBondContact CA-OD2 3.22Å; P124-D128 HydrophobicContact CB-CB 3.72Å; T125-D128 PolarHBondContact N-OD2 3.34Å; T125-D128 WeakPolarHBondContact O-CB 3.44Å; T125-D128 PolarHBondContact O-N 3.24Å; T125-D128 PolarHBondContact OG1-OD2 3.01Å; D126-D128 VanDerWaalsContact C-N 3.33Å; D126-D128 PolarHBondContact O-N 3.27Å; D128-G131 PolarHBondContact O-N 2.98Å; D128-A132 WeakPolarHBondContact O-CB 3.49Å; D128-A132 PolarHBondContact O-N 2.95Å
129	E	82.3	Confident	85.3	Confident	125 Å²	125	65.5 Å²	65.5	58%	0.584	32%	0.322	S	S	*	.	H	α-helix	trans	-63.6	-48.8	176	-171.5	-174.6	160.3	0	0	110.8	T125 D126 G131 A132 A133	T125-E129 PolarHBondContact O-N 3.49Å; D126-E129 PolarHBondContact O-N 3.33Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 3.24Å; E129-A132 PolarHBondContact O-N 3.23Å; E129-A133 PolarHBondContact O-N 3.14Å
130	I	82.8	Confident	85.7	Confident	59 Å²	59	64.5 Å²	64.5	30%	0.303	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-41.4	175.1	-67	166.3	0	0	0	110.6	D126 A132 A133 K134	D126-I130 VanDerWaalsContact O-CG1 3.3Å; D126-I130 WeakPolarHBondContact O-CG1 3.46Å; D126-I130 PolarHBondContact O-N 3.16Å; I130-A132 PolarHBondContact O-N 3.41Å; I130-A133 PolarHBondContact O-N 3.29Å; I130-K134 HydrophobicContact CG2-CD 4.16Å; I130-K134 WeakPolarHBondContact O-CB 3.29Å; I130-K134 WeakPolarHBondContact O-CG 3.41Å; I130-K134 PolarHBondContact O-N 3.42Å
131	G	82.4	Confident	86	Confident	10 Å²	10	56.9 Å²	56.9	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-42	176	0	0	0	0	0	113.1	E127 D128 E129 K134 A135	E127-G131 PolarHBondContact O-N 2.97Å; D128-G131 PolarHBondContact O-N 2.98Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 3.24Å; G131-K134 PolarHBondContact O-N 2.86Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.14Å
132	A	86	Confident	86.6	Confident	41 Å²	41	50.4 Å²	50.4	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-66.7	-42.1	175.2	0	0	0	0	0	112.1	F24 D128 E129 I130 K134 A135 L136	F24-A132 HydrophobicContact CB-CB 4.22Å; D128-A132 WeakPolarHBondContact O-CB 3.49Å; D128-A132 PolarHBondContact O-N 2.95Å; E129-A132 PolarHBondContact O-N 3.23Å; I130-A132 PolarHBondContact O-N 3.41Å; A132-K134 PolarHBondContact O-N 2.81Å; A132-A135 WeakPolarHBondContact O-CB 3.29Å; A132-A135 PolarHBondContact O-N 2.83Å; A132-A135 VanDerWaalsContact O-N 3.15Å; A132-L136 PolarHBondContact O-N 2.88Å
133	A	89.1	Confident	87.2	Confident	10 Å²	10	46.3 Å²	46.3	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175	0	0	0	0	0	111.6	E129 I130 A135 L136 M137	E129-A133 PolarHBondContact O-N 3.14Å; I130-A133 PolarHBondContact O-N 3.29Å; A133-A135 VanDerWaalsContact C-N 3.27Å; A133-A135 PolarHBondContact O-N 3.29Å; A133-L136 PolarHBondContact O-N 2.97Å; A133-M137 WeakPolarHBondContact O-CG 3.5Å; A133-M137 PolarHBondContact O-N 3.15Å
134	K	86.7	Confident	87.6	Confident	85 Å²	85	50.9 Å²	50.9	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-34.9	174	-74.4	176	176.2	175.9	0	112.4	I130 G131 A132 R138 E179	I130-K134 HydrophobicContact CG2-CD 4.16Å; I130-K134 WeakPolarHBondContact O-CB 3.29Å; I130-K134 WeakPolarHBondContact O-CG 3.41Å; I130-K134 PolarHBondContact O-N 3.42Å; G131-K134 PolarHBondContact O-N 2.86Å; A132-K134 PolarHBondContact O-N 2.81Å; K134-R138 WeakPolarHBondContact O-CB 3.39Å; K134-R138 PolarHBondContact O-N 3.25Å; K134-E179 WeakPolarHBondContact CE-OE2 3.45Å; K134-E179 IonicContact NZ-OE1 3.87Å; K134-E179 PolarHBondContact NZ-OE1 3.36Å; K134-E179 IonicContact NZ-OE2 3.42Å; K134-E179 PolarHBondContact NZ-OE2 2.88Å
135	A	88.9	Confident	88	Confident	3 Å²	3	49.1 Å²	49.1	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-41.7	175.3	0	0	0	0	0	111.6	G131 A132 A133 R138 L139 V423	G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.14Å; A132-A135 WeakPolarHBondContact O-CB 3.29Å; A132-A135 PolarHBondContact O-N 2.83Å; A132-A135 VanDerWaalsContact O-N 3.15Å; A133-A135 VanDerWaalsContact C-N 3.27Å; A133-A135 PolarHBondContact O-N 3.29Å; A135-R138 WeakPolarHBondContact O-CB 3.4Å; A135-R138 PolarHBondContact O-N 3.15Å; A135-L139 WeakPolarHBondContact O-CG 3.2Å; A135-L139 PolarHBondContact O-N 2.91Å; A135-V423 WeakPolarHBondContact CB-O 3.33Å
136	L	91.7	Very high	88.4	Confident	44 Å²	44	49.6 Å²	49.6	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-43.6	174.6	-74.7	174.2	0	0	0	112.4	A132 A133 R138 L139 Q140 I150 M172	A132-L136 PolarHBondContact O-N 2.88Å; A133-L136 PolarHBondContact O-N 2.97Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 2.65Å; L136-L139 HydrophobicContact CD2-CD1 4.49Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 2.84Å; L136-L139 VanDerWaalsContact O-N 3.11Å; L136-Q140 WeakPolarHBondContact O-CB 3.45Å; L136-Q140 PolarHBondContact O-N 2.82Å; L136-I150 HydrophobicContact CD2-CG2 4.38Å; L136-M172 HydrophobicContact CB-CE 3.71Å; L136-M172 HydrophobicContact CD1-CE 4.08Å; L136-M172 HydrophobicContact CD1-SD 3.96Å
137	M	92.1	Very high	89.2	Confident	11 Å²	11	44.3 Å²	44.3	5%	0.054	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-38.5	175.4	-67.3	166.6	-170	0	0	111.9	A133 L139 Q140 D141 M172 A176 H184	A133-M137 WeakPolarHBondContact O-CG 3.5Å; A133-M137 PolarHBondContact O-N 3.15Å; M137-L139 VanDerWaalsContact C-N 3.3Å; M137-L139 PolarHBondContact O-N 3.13Å; M137-Q140 WeakPolarHBondContact O-CB 3.34Å; M137-Q140 PolarHBondContact O-N 3.49Å; M137-D141 PolarHBondContact O-N 3Å; M137-M172 HydrophobicContact CE-CB 4.17Å; M137-M172 HydrophobicContact CE-CE 4.05Å; M137-M172 WeakPolarHBondContact CE-O 3.37Å; M137-M172 HydrophobicContact CG-CE 4.16Å; M137-A176 HydrophobicContact CE-CB 3.71Å; M137-A176 HydrophobicContact SD-CB 4.04Å; M137-H184 HydrophobicContact CG-CB 4.35Å; M137-H184 HydrophobicContact SD-CB 4.06Å
138	R	91	Very high	89.8	Confident	43 Å²	43	39.2 Å²	39.2	16%	0.162	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-39.2	173	-174.5	-171	-50.9	-120.1	1.9	112.5	K134 A135 L136 T142 S378 G424 Q426 P505	K134-R138 WeakPolarHBondContact O-CB 3.39Å; K134-R138 PolarHBondContact O-N 3.25Å; A135-R138 WeakPolarHBondContact O-CB 3.4Å; A135-R138 PolarHBondContact O-N 3.15Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 2.65Å; R138-T142 VanDerWaalsContact O-CB 3.32Å; R138-T142 WeakPolarHBondContact O-CB 3.47Å; R138-T142 PolarHBondContact O-N 3.36Å; R138-T142 PolarHBondContact O-OG1 2.99Å; R138-S378 PolarHBondContact NH1-O 3.19Å; R138-S378 VanDerWaalsContact NH1-O 3.12Å; R138-S378 PolarHBondContact NH2-O 3.48Å; R138-G424 WeakPolarHBondContact CD-O 3.5Å; R138-Q426 VanDerWaalsContact NH1-CG 3.33Å; R138-P505 HydrophobicContact CG-CG 4.21Å
139	L	93.4	Very high	90.4	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-40.5	174.7	-68.2	174.5	0	0	0	111.3	A135 L136 M137 T142 Y143 V423 P505 V506 L507	A135-L139 WeakPolarHBondContact O-CG 3.2Å; A135-L139 PolarHBondContact O-N 2.91Å; L136-L139 HydrophobicContact CD2-CD1 4.49Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 2.84Å; L136-L139 VanDerWaalsContact O-N 3.11Å; M137-L139 VanDerWaalsContact C-N 3.3Å; M137-L139 PolarHBondContact O-N 3.13Å; L139-T142 PolarHBondContact O-N 3.39Å; L139-Y143 HydrophobicContact CB-CD2 4.49Å; L139-Y143 HydrophobicContact CD2-CD2 3.89Å; L139-Y143 HydrophobicContact CD2-CE2 3.64Å; L139-Y143 WeakPolarHBondContact O-CB 3.06Å; L139-Y143 WeakPolarHBondContact O-CD2 3.4Å; L139-Y143 PolarHBondContact O-N 2.9Å; L139-V423 HydrophobicContact CD1-CG1 4.02Å; L139-P505 HydrophobicContact CD2-CB 3.58Å; L139-V506 WeakPolarHBondContact CD2-O 3.48Å; L139-L507 HydrophobicContact CB-CD1 4.22Å; L139-L507 HydrophobicContact CD1-CD1 4.18Å; L139-L507 HydrophobicContact CD2-CB 4.28Å; L139-L507 HydrophobicContact CD2-CD1 4.05Å; L139-L507 HydrophobicContact CG-CD1 4.38Å
140	Q	93.8	Very high	90.9	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-53.2	-53.9	174	-168.7	-171.5	-27.3	0	0	110.9	L136 M137 R144 L145 I150 H184	L136-Q140 WeakPolarHBondContact O-CB 3.45Å; L136-Q140 PolarHBondContact O-N 2.82Å; M137-Q140 WeakPolarHBondContact O-CB 3.34Å; M137-Q140 PolarHBondContact O-N 3.49Å; Q140-R144 CarbonylContact O-C 3.57Å; Q140-R144 VanDerWaalsContact O-CA 3.26Å; Q140-R144 WeakPolarHBondContact O-CA 3.48Å; Q140-R144 PolarHBondContact O-N 2.91Å; Q140-L145 WeakPolarHBondContact CG-O 3.26Å; Q140-L145 PolarHBondContact O-N 3.5Å; Q140-I150 HydrophobicContact CB-CD1 3.68Å; Q140-I150 HydrophobicContact CG-CD1 3.81Å; Q140-H184 PolarHBondContact OE1-CD2 2.95Å
141	D	92.4	Very high	91.5	Very high	22 Å²	22	31.9 Å²	31.9	12%	0.118	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-59	177.1	-75.3	-26.7	0	0	0	111.8	M137 Y143 R144 H184 R279	M137-D141 PolarHBondContact O-N 3Å; D141-Y143 VanDerWaalsContact C-N 3.28Å; D141-Y143 PolarHBondContact O-N 3.49Å; D141-R144 PolarHBondContact O-N 3.45Å; D141-H184 IonicContact OD1-CE1 2.75Å; D141-H184 PolarHBondContact OD1-CE1 3.39Å; D141-H184 VanDerWaalsContact OD1-CE1 3.24Å; D141-H184 IonicContact OD1-NE2 3.14Å; D141-H184 PolarHBondContact OD1-NE2 3.34Å; D141-H184 VanDerWaalsContact OD1-NE2 3.13Å; D141-H184 IonicContact OD2-CE1 3.97Å; D141-H184 PolarHBondContact OD2-CE1 3.42Å; D141-H184 VanDerWaalsContact OD2-CE1 3.31Å; D141-H184 IonicContact OD2-NE2 2.63Å; D141-R279 VanDerWaalsContact CG-CZ 3.49Å; D141-R279 IonicContact OD1-CZ 3.11Å; D141-R279 IonicContact OD2-CZ 3.07Å; D141-R279 IonicContact OD2-NE 3.17Å; D141-R279 IonicContact OD2-NH1 2.64Å; D141-R279 PolarHBondContact OD2-NH1 2.92Å; D141-R279 IonicContact OD2-NH2 3.3Å; D141-R279 PolarHBondContact OD2-NH2 3.45Å
142	T	93	Very high	92	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-41.3	-168.7	-58	0	0	0	0	111.4	R138 L139 E291 C294 R295 P505	R138-T142 VanDerWaalsContact O-CB 3.32Å; R138-T142 WeakPolarHBondContact O-CB 3.47Å; R138-T142 PolarHBondContact O-N 3.36Å; R138-T142 PolarHBondContact O-OG1 2.99Å; L139-T142 PolarHBondContact O-N 3.39Å; T142-E291 HydrophobicContact CG2-CB 4.29Å; T142-E291 HydrophobicContact CG2-CG 4.19Å; T142-C294 HydrophobicContact CG2-CB 3.55Å; T142-R295 WeakPolarHBondContact O-CD 3.49Å; T142-R295 VanDerWaalsContact O-CG 3.25Å; T142-R295 WeakPolarHBondContact O-CG 3.45Å; T142-R295 PolarHBondContact O-NH1 2.89Å; T142-P505 HydrophobicContact CG2-CG 4.04Å
143	Y	93.4	Very high	92.2	Very high	26 Å²	26	34.2 Å²	34.2	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-100.2	5	-175.5	-63.3	-73.6	0	0	0	113.8	L139 D141 L145 C294 R295 G464 P505 L507	L139-Y143 HydrophobicContact CB-CD2 4.49Å; L139-Y143 HydrophobicContact CD2-CD2 3.89Å; L139-Y143 HydrophobicContact CD2-CE2 3.64Å; L139-Y143 WeakPolarHBondContact O-CB 3.06Å; L139-Y143 WeakPolarHBondContact O-CD2 3.4Å; L139-Y143 PolarHBondContact O-N 2.9Å; D141-Y143 VanDerWaalsContact C-N 3.28Å; D141-Y143 PolarHBondContact O-N 3.49Å; Y143-L145 VanDerWaalsContact C-N 3.26Å; Y143-L145 PolarHBondContact O-N 3.34Å; Y143-C294 HydrophobicContact CE1-CB 4.31Å; Y143-C294 WeakPolarHBondContact CE1-O 3.31Å; Y143-R295 HydrophobicContact CD1-CG 4.19Å; Y143-G464 WeakPolarHBondContact OH-CA 3.25Å; Y143-P505 HydrophobicContact CE2-CB 4.24Å; Y143-P505 PolarHBondContact OH-O 3.32Å; Y143-L507 HydrophobicContact CD1-CD2 4.22Å; Y143-L507 HydrophobicContact CD2-CB 4.1Å; Y143-L507 HydrophobicContact CD2-CD1 3.99Å; Y143-L507 HydrophobicContact CD2-CD2 4.11Å; Y143-L507 HydrophobicContact CD2-CG 4.29Å; Y143-L507 HydrophobicContact CE2-CB 3.74Å; Y143-L507 HydrophobicContact CE2-CD1 4.43Å; Y143-L507 HydrophobicContact CE2-CD2 4.46Å; Y143-L507 HydrophobicContact CE2-CG 4.42Å; Y143-L507 HydrophobicContact CG-CD2 4Å
144	R	92.6	Very high	92.2	Very high	173 Å²	173	38.2 Å²	38.2	65%	0.653	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	46.1	-177.6	-62.9	178.9	172.8	172	-3.7	112.3	Q140 D141 R295 E297	Q140-R144 CarbonylContact O-C 3.57Å; Q140-R144 VanDerWaalsContact O-CA 3.26Å; Q140-R144 WeakPolarHBondContact O-CA 3.48Å; Q140-R144 PolarHBondContact O-N 2.91Å; D141-R144 PolarHBondContact O-N 3.45Å; R144-R295 VanDerWaalsContact CZ-NH2 3.33Å; R144-E297 IonicContact NH1-OE1 3.11Å; R144-E297 IonicContact NH1-OE2 4Å
145	L	93.1	Very high	92.2	Very high	28 Å²	28	36 Å²	36	15%	0.147	17%	0.169	C	C	.	.			trans	-85.2	137.3	178.4	-53.4	168.9	0	0	0	108.6	Q140 Y143 I150 L155 L507	Q140-L145 WeakPolarHBondContact CG-O 3.26Å; Q140-L145 PolarHBondContact O-N 3.5Å; Y143-L145 VanDerWaalsContact C-N 3.26Å; Y143-L145 PolarHBondContact O-N 3.34Å; L145-I150 HydrophobicContact CB-CD1 3.99Å; L145-I150 HydrophobicContact CB-CG1 3.96Å; L145-I150 HydrophobicContact CD1-CD1 4.38Å; L145-I150 HydrophobicContact CD1-CG1 4.28Å; L145-L155 HydrophobicContact CD1-CD2 3.76Å; L145-L155 HydrophobicContact CD2-CD2 4.45Å; L145-L507 HydrophobicContact CD1-CD1 3.77Å
146	D	91.9	Very high	91.9	Very high	74 Å²	74	39.3 Å²	39.3	40%	0.396	19%	0.19	S	C	.	.			trans	-78.6	148.6	170.7	58.8	-81.9	0	0	0	110.8	D148 T149 I150	D146-D148 PolarHBondContact O-N 3.49Å; D146-D148 VanDerWaalsContact O-N 3.08Å; D146-D148 WeakPolarHBondContact OD2-CA 3.37Å; D146-D148 WeakPolarHBondContact OD2-CB 3.46Å; D146-D148 PolarHBondContact OD2-N 3.48Å; D146-T149 PolarHBondContact O-N 3.16Å; D146-T149 WeakPolarHBondContact OD1-CB 3.4Å; D146-T149 PolarHBondContact OD1-OG1 2.85Å; D146-T149 VanDerWaalsContact OD1-OG1 3.09Å; D146-T149 WeakPolarHBondContact OD2-CB 3.27Å; D146-T149 PolarHBondContact OD2-N 3.26Å; D146-T149 PolarHBondContact OD2-OG1 3.45Å; D146-I150 PolarHBondContact O-N 2.93Å; D146-I150 VanDerWaalsContact O-N 3.15Å
147	P	94.4	Very high	91.1	Very high	16 Å²	16	39.8 Å²	39.8	10%	0.104	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-26.7	176.1	-25.9	33.1	0	0	0	113.4	S151 L187 W188 Q191	P147-S151 VanDerWaalsContact O-CB 3.23Å; P147-S151 WeakPolarHBondContact O-CB 3.09Å; P147-S151 PolarHBondContact O-N 3.39Å; P147-S151 PolarHBondContact O-OG 3.41Å; P147-L187 HydrophobicContact CG-CB 3.87Å; P147-W188 HydrophobicContact CB-CD2 4.29Å; P147-W188 HydrophobicContact CB-CE3 4.17Å; P147-W188 HydrophobicContact CB-CH2 4.23Å; P147-W188 HydrophobicContact CB-CZ2 4.31Å; P147-W188 HydrophobicContact CB-CZ3 4.15Å; P147-Q191 HydrophobicContact CB-CB 3.91Å; P147-Q191 HydrophobicContact CB-CG 4.08Å
148	D	94.2	Very high	90.4	Very high	29 Å²	29	41.4 Å²	41.4	16%	0.155	22%	0.216	C	C	.	.	H	α-helix	trans	-72.9	-41.6	-178.2	-174.7	68.2	0	0	0	111.9	D146 S151 R152 Q191 K194	D146-D148 PolarHBondContact O-N 3.49Å; D146-D148 VanDerWaalsContact O-N 3.08Å; D146-D148 WeakPolarHBondContact OD2-CA 3.37Å; D146-D148 WeakPolarHBondContact OD2-CB 3.46Å; D146-D148 PolarHBondContact OD2-N 3.48Å; D148-S151 WeakPolarHBondContact CA-OG 3.37Å; D148-S151 PolarHBondContact O-OG 2.63Å; D148-R152 PolarHBondContact O-N 3.02Å; D148-R152 VanDerWaalsContact O-N 3.12Å; D148-R152 IonicContact OD1-CZ 3.13Å; D148-R152 IonicContact OD1-NH1 2.67Å; D148-R152 PolarHBondContact OD1-NH1 3.22Å; D148-R152 IonicContact OD2-CZ 3.36Å; D148-R152 IonicContact OD2-NH1 2.85Å; D148-R152 PolarHBondContact OD2-NH1 3.35Å; D148-R152 IonicContact OD2-NH2 2.58Å; D148-R152 PolarHBondContact OD2-NH2 2.91Å; D148-Q191 PolarHBondContact OD1-NE2 2.75Å; D148-K194 IonicContact OD1-NZ 2.66Å; D148-K194 PolarHBondContact OD1-NZ 2.91Å; D148-K194 IonicContact OD2-NZ 3.44Å; D148-K194 PolarHBondContact OD2-NZ 3.36Å
149	T	93	Very high	89.8	Confident	28 Å²	28	48.8 Å²	48.8	17%	0.172	25%	0.25	C	C	.	.	H	α-helix	trans	-64.5	-42.5	169.6	-77.8	0	0	0	0	112	D146 G153 E154 L155	D146-T149 PolarHBondContact O-N 3.16Å; D146-T149 WeakPolarHBondContact OD1-CB 3.4Å; D146-T149 PolarHBondContact OD1-OG1 2.85Å; D146-T149 VanDerWaalsContact OD1-OG1 3.09Å; D146-T149 WeakPolarHBondContact OD2-CB 3.27Å; D146-T149 PolarHBondContact OD2-N 3.26Å; D146-T149 PolarHBondContact OD2-OG1 3.45Å; T149-G153 PolarHBondContact O-N 2.69Å; T149-E154 HydrophobicContact CG2-CB 4.23Å; T149-E154 WeakPolarHBondContact CG2-O 3.24Å; T149-E154 PolarHBondContact O-N 3.38Å; T149-L155 HydrophobicContact CG2-CD2 4.36Å
150	I	93.6	Very high	89.2	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.051	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-46.3	177.2	-62	175	0	0	0	110.4	L136 Q140 L145 D146 R152 G153 L164 W188	L136-I150 HydrophobicContact CD2-CG2 4.38Å; Q140-I150 HydrophobicContact CB-CD1 3.68Å; Q140-I150 HydrophobicContact CG-CD1 3.81Å; L145-I150 HydrophobicContact CB-CD1 3.99Å; L145-I150 HydrophobicContact CB-CG1 3.96Å; L145-I150 HydrophobicContact CD1-CD1 4.38Å; L145-I150 HydrophobicContact CD1-CG1 4.28Å; D146-I150 PolarHBondContact O-N 2.93Å; D146-I150 VanDerWaalsContact O-N 3.15Å; I150-R152 VanDerWaalsContact C-N 3.29Å; I150-R152 PolarHBondContact O-N 2.93Å; I150-G153 PolarHBondContact O-N 3.34Å; I150-L164 HydrophobicContact CG2-CD1 4.36Å; I150-W188 HydrophobicContact CB-CH2 3.91Å; I150-W188 HydrophobicContact CB-CZ2 4.38Å; I150-W188 HydrophobicContact CD1-CZ2 4.19Å; I150-W188 HydrophobicContact CG2-CH2 3.72Å; I150-W188 HydrophobicContact CG2-CZ2 4.19Å
151	S	94.8	Very high	88.6	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-30.6	-178.7	60.6	0	0	0	0	113.1	P147 D148 G153 V163 L164 Q191	P147-S151 VanDerWaalsContact O-CB 3.23Å; P147-S151 WeakPolarHBondContact O-CB 3.09Å; P147-S151 PolarHBondContact O-N 3.39Å; P147-S151 PolarHBondContact O-OG 3.41Å; D148-S151 WeakPolarHBondContact CA-OG 3.37Å; D148-S151 PolarHBondContact O-OG 2.63Å; S151-G153 VanDerWaalsContact C-N 3.31Å; S151-V163 CarbonylContact O-C 3.57Å; S151-V163 VanDerWaalsContact O-CA 3.28Å; S151-V163 WeakPolarHBondContact O-CA 3.29Å; S151-V163 WeakPolarHBondContact O-CG1 3.19Å; S151-L164 PolarHBondContact O-N 3.04Å; S151-Q191 PolarHBondContact OG-NE2 3Å
152	R	92.5	Very high	88.4	Confident	88 Å²	88	67.3 Å²	67.3	33%	0.332	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.8	170.9	-72.1	-166.4	-68.5	-81.5	-6.5	114.7	D148 I150 E154	D148-R152 PolarHBondContact O-N 3.02Å; D148-R152 VanDerWaalsContact O-N 3.12Å; D148-R152 IonicContact OD1-CZ 3.13Å; D148-R152 IonicContact OD1-NH1 2.67Å; D148-R152 PolarHBondContact OD1-NH1 3.22Å; D148-R152 IonicContact OD2-CZ 3.36Å; D148-R152 IonicContact OD2-NH1 2.85Å; D148-R152 PolarHBondContact OD2-NH1 3.35Å; D148-R152 IonicContact OD2-NH2 2.58Å; D148-R152 PolarHBondContact OD2-NH2 2.91Å; I150-R152 VanDerWaalsContact C-N 3.29Å; I150-R152 PolarHBondContact O-N 2.93Å; R152-E154 HydrophobicContact CB-CB 4.47Å; R152-E154 HydrophobicContact CB-CG 3.8Å; R152-E154 IonicContact CZ-OE2 3.84Å; R152-E154 VanDerWaalsContact NE-CD 3.26Å; R152-E154 IonicContact NE-OE1 3.64Å; R152-E154 PolarHBondContact NE-OE1 3.41Å; R152-E154 IonicContact NE-OE2 3.58Å; R152-E154 PolarHBondContact NE-OE2 2.71Å; R152-E154 IonicContact NH2-OE2 2.88Å; R152-E154 PolarHBondContact NH2-OE2 2.99Å; R152-E154 PolarHBondContact O-N 3.14Å
153	G	89.8	Confident	88.4	Confident	12 Å²	12	72 Å²	72	12%	0.124	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	23	-174	0	0	0	0	0	113.8	T149 I150 S151 L155 A162	T149-G153 PolarHBondContact O-N 2.69Å; I150-G153 PolarHBondContact O-N 3.34Å; S151-G153 VanDerWaalsContact C-N 3.31Å; G153-L155 PolarHBondContact O-N 2.96Å; G153-A162 VanDerWaalsContact CA-O 3.27Å; G153-A162 WeakPolarHBondContact CA-O 3.26Å; G153-A162 PolarHBondContact N-O 3.13Å
154	E	89.4	Confident	88.5	Confident	95 Å²	95	72.7 Å²	72.7	44%	0.444	38%	0.375	S	S	.	.			trans	-82.9	53	-176.1	-72.4	175.8	168	0	0	112	T149 R152	T149-E154 HydrophobicContact CG2-CB 4.23Å; T149-E154 WeakPolarHBondContact CG2-O 3.24Å; T149-E154 PolarHBondContact O-N 3.38Å; R152-E154 HydrophobicContact CB-CB 4.47Å; R152-E154 HydrophobicContact CB-CG 3.8Å; R152-E154 IonicContact CZ-OE2 3.84Å; R152-E154 VanDerWaalsContact NE-CD 3.26Å; R152-E154 IonicContact NE-OE1 3.64Å; R152-E154 PolarHBondContact NE-OE1 3.41Å; R152-E154 IonicContact NE-OE2 3.58Å; R152-E154 PolarHBondContact NE-OE2 2.71Å; R152-E154 IonicContact NH2-OE2 2.88Å; R152-E154 PolarHBondContact NH2-OE2 2.99Å; R152-E154 PolarHBondContact O-N 3.14Å
155	L	86.6	Confident	88.7	Confident	37 Å²	37	66.7 Å²	66.7	19%	0.194	36%	0.359	C	S	.	.			trans	-88	145.1	-179.4	-60.9	-178.5	0	0	0	112.2	L145 T149 G153 T158 L507 V508	L145-L155 HydrophobicContact CD1-CD2 3.76Å; L145-L155 HydrophobicContact CD2-CD2 4.45Å; T149-L155 HydrophobicContact CG2-CD2 4.36Å; G153-L155 PolarHBondContact O-N 2.96Å; L155-T158 HydrophobicContact CB-CG2 4.44Å; L155-L507 HydrophobicContact CD1-CD1 4.32Å; L155-L507 HydrophobicContact CD2-CD1 4.41Å; L155-V508 HydrophobicContact CB-CG2 4.14Å
156	P	82.4	Confident	88.9	Confident	73 Å²	73	65.4 Å²	65.4	47%	0.474	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	143.6	178.3	28.5	-35	0	0	0	111.4	L507 V508	P156-L507 HydrophobicContact CG-CD2 3.8Å; P156-V508 WeakPolarHBondContact O-CG2 3.31Å
157	G	75	Confident	89.2	Confident	54 Å²	54	64.2 Å²	64.2	56%	0.557	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	2	170.4	0	0	0	0	0	116
158	T	78.8	Confident	89.3	Confident	45 Å²	45	67.3 Å²	67.3	28%	0.276	36%	0.362	S	S	.	.			trans	-114.3	148.1	174.3	-177.6	0	0	0	0	112.6	L155 Y160	L155-T158 HydrophobicContact CB-CG2 4.44Å; T158-Y160 WeakPolarHBondContact CG2-O 3.5Å; T158-Y160 PolarHBondContact OG1-N 3.14Å; T158-Y160 PolarHBondContact OG1-O 3.25Å
159	K	77.6	Confident	89.4	Confident	199 Å²	199	65.9 Å²	65.9	87%	0.865	36%	0.355	S	S	*	.	S	Bend	trans	-99.3	-9.4	167.4	-62.4	-179.3	-177.1	176	0	112.5
160	Y	79.9	Confident	89.6	Confident	204 Å²	204	65.3 Å²	65.3	80%	0.8	35%	0.35	S	S	*	.			trans	-100.7	125.1	-177.9	-54.8	-75.5	0	0	0	108.2	T158	T158-Y160 WeakPolarHBondContact CG2-O 3.5Å; T158-Y160 PolarHBondContact OG1-N 3.14Å; T158-Y160 PolarHBondContact OG1-O 3.25Å
161	Q	83.1	Confident	89.7	Confident	141 Å²	141	65.6 Å²	65.6	66%	0.659	36%	0.355	S	S	*	.			trans	-122.6	136	-178	-68.2	-179.9	-31.2	0	0	109.3
162	A	87.7	Confident	89.7	Confident	76 Å²	76	66 Å²	66	63%	0.628	36%	0.357	S	S	*	.			trans	-127.6	148.2	167.3	0	0	0	0	0	107.2	G153	G153-A162 VanDerWaalsContact CA-O 3.27Å; G153-A162 WeakPolarHBondContact CA-O 3.26Å; G153-A162 PolarHBondContact N-O 3.13Å
163	V	93.4	Very high	89.9	Confident	102 Å²	102	61.8 Å²	61.8	62%	0.618	34%	0.341	S	S	*	.			trans	-111.9	132.7	179.7	-179.7	0	0	0	0	107.7	S151	S151-V163 CarbonylContact O-C 3.57Å; S151-V163 VanDerWaalsContact O-CA 3.28Å; S151-V163 WeakPolarHBondContact O-CA 3.29Å; S151-V163 WeakPolarHBondContact O-CG1 3.19Å
164	L	95.1	Very high	90.1	Very high	39 Å²	39	66.4 Å²	66.4	20%	0.204	35%	0.354	C	S	.	.			trans	-78.6	124.6	171.7	-60.6	-177.5	0	0	0	108.9	I150 S151 D168 M172 W188 Q195	I150-L164 HydrophobicContact CG2-CD1 4.36Å; S151-L164 PolarHBondContact O-N 3.04Å; L164-D168 HydrophobicContact CB-CB 4.03Å; L164-D168 HydrophobicContact CD2-CB 4.14Å; L164-M172 HydrophobicContact CD1-SD 3.87Å; L164-W188 HydrophobicContact CD1-CH2 4.05Å; L164-W188 HydrophobicContact CD1-CZ3 4.04Å; L164-Q195 PolarHBondContact O-NE2 2.89Å; L164-Q195 VanDerWaalsContact O-NE2 3.1Å
165	S	96.7	Very high	90.3	Very high	47 Å²	47	62.8 Å²	62.8	33%	0.329	34%	0.34	S	S	.	.			trans	-68	167.6	171.6	69.3	0	0	0	0	111.1	D167 D168 C169	S165-D167 PolarHBondContact O-N 3.45Å; S165-D167 PolarHBondContact OG-N 3.38Å; S165-D168 WeakPolarHBondContact CB-OD2 3.23Å; S165-D168 PolarHBondContact N-OD2 3.25Å; S165-D168 PolarHBondContact O-N 3.05Å; S165-D168 VanDerWaalsContact O-N 3.13Å; S165-D168 PolarHBondContact OG-N 3.42Å; S165-D168 PolarHBondContact OG-OD2 3.13Å; S165-C169 PolarHBondContact O-N 3.11Å
166	V	97.7	Very high	90.6	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-51.9	-42.6	171.4	-179	0	0	0	0	111.4	C169 F170 V192 Q195 L196 E200 A202	V166-C169 PolarHBondContact O-N 3.43Å; V166-F170 WeakPolarHBondContact O-CB 3.41Å; V166-F170 PolarHBondContact O-N 2.85Å; V166-V192 HydrophobicContact CG1-CG1 3.71Å; V166-Q195 HydrophobicContact CG2-CB 3.71Å; V166-L196 HydrophobicContact CG1-CD1 4.27Å; V166-L196 HydrophobicContact CG1-CD2 3.73Å; V166-L196 HydrophobicContact CG1-CG 3.71Å; V166-L196 HydrophobicContact CG2-CD2 4.49Å; V166-E200 HydrophobicContact CG2-CB 3.65Å; V166-A202 HydrophobicContact CB-CB 3.5Å; V166-A202 HydrophobicContact CG1-CB 3.49Å; V166-A202 VanDerWaalsContact CG1-CB 3.49Å; V166-A202 HydrophobicContact CG2-CB 3.94Å
167	D	97	Very high	91.2	Very high	49 Å²	49	60.1 Å²	60.1	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-70.9	-33.3	-177.6	-69.3	-31.7	0	0	0	111.4	S165 F170 G171 T203 T204	S165-D167 PolarHBondContact O-N 3.45Å; S165-D167 PolarHBondContact OG-N 3.38Å; D167-F170 PolarHBondContact O-N 3.01Å; D167-G171 PolarHBondContact O-N 2.86Å; D167-T203 VanDerWaalsContact CG-OG1 3.22Å; D167-T203 PolarHBondContact OD1-N 3.39Å; D167-T203 PolarHBondContact OD1-OG1 3.41Å; D167-T203 PolarHBondContact OD2-N 3.34Å; D167-T203 PolarHBondContact OD2-OG1 3.3Å; D167-T204 WeakPolarHBondContact OD1-CB 3.13Å; D167-T204 PolarHBondContact OD1-N 3.06Å; D167-T204 PolarHBondContact OD1-OG1 3.27Å
168	D	96	Very high	92	Very high	81 Å²	81	62.7 Å²	62.7	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-47.4	173.5	-59.6	-48.6	0	0	0	111.5	L164 S165 F170 G171 M172	L164-D168 HydrophobicContact CB-CB 4.03Å; L164-D168 HydrophobicContact CD2-CB 4.14Å; S165-D168 WeakPolarHBondContact CB-OD2 3.23Å; S165-D168 PolarHBondContact N-OD2 3.25Å; S165-D168 PolarHBondContact O-N 3.05Å; S165-D168 VanDerWaalsContact O-N 3.13Å; S165-D168 PolarHBondContact OG-N 3.42Å; S165-D168 PolarHBondContact OG-OD2 3.13Å; D168-F170 VanDerWaalsContact C-N 3.28Å; D168-F170 PolarHBondContact O-N 3.03Å; D168-G171 WeakPolarHBondContact O-CA 3.46Å; D168-G171 PolarHBondContact O-N 3.1Å; D168-G171 VanDerWaalsContact O-N 3.13Å; D168-M172 PolarHBondContact O-N 3.3Å
169	C	97.3	Very high	92.3	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-38.8	176.3	-70.3	0	0	0	0	111.4	S165 V166 M172 G173 W188 V192 Q195	S165-C169 PolarHBondContact O-N 3.11Å; V166-C169 PolarHBondContact O-N 3.43Å; C169-M172 PolarHBondContact O-N 3.08Å; C169-G173 PolarHBondContact O-N 2.96Å; C169-W188 HydrophobicContact CB-CE3 4.11Å; C169-W188 HydrophobicContact CB-CZ3 4.41Å; C169-V192 VanDerWaalsContact C-CG2 3.46Å; C169-V192 HydrophobicContact CB-CG2 3.51Å; C169-Q195 PolarHBondContact SG-OE1 2.85Å
170	F	97.4	Very high	93	Very high	16 Å²	16	58.3 Å²	58.3	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-41.2	174.1	-178.2	-109.8	0	0	0	111.7	V166 D167 D168 M172 G173 R174 M189 V192 T204 Q208 V209 Y212	V166-F170 WeakPolarHBondContact O-CB 3.41Å; V166-F170 PolarHBondContact O-N 2.85Å; D167-F170 PolarHBondContact O-N 3.01Å; D168-F170 VanDerWaalsContact C-N 3.28Å; D168-F170 PolarHBondContact O-N 3.03Å; F170-M172 VanDerWaalsContact C-N 3.33Å; F170-M172 PolarHBondContact O-N 3.34Å; F170-G173 PolarHBondContact O-N 3.32Å; F170-R174 WeakPolarHBondContact O-CB 3.43Å; F170-R174 PolarHBondContact O-N 3.47Å; F170-M189 HydrophobicContact CD2-CE 3.78Å; F170-M189 HydrophobicContact CD2-SD 3.65Å; F170-M189 HydrophobicContact CE2-CE 3.71Å; F170-M189 HydrophobicContact CE2-SD 3.8Å; F170-V192 HydrophobicContact CB-CG1 4.32Å; F170-V192 HydrophobicContact CB-CG2 3.98Å; F170-V192 VanDerWaalsContact N-CG2 3.28Å; F170-T204 HydrophobicContact CB-CG2 4.05Å; F170-T204 HydrophobicContact CD1-CG2 3.83Å; F170-T204 WeakPolarHBondContact CD1-OG1 3.48Å; F170-T204 HydrophobicContact CD2-CG2 3.68Å; F170-T204 HydrophobicContact CE1-CG2 4.16Å; F170-T204 HydrophobicContact CE2-CG2 4.02Å; F170-T204 HydrophobicContact CG-CG2 3.57Å; F170-T204 HydrophobicContact CZ-CG2 4.25Å; F170-Q208 HydrophobicContact CE2-CB 4.49Å; F170-Q208 HydrophobicContact CZ-CB 4.2Å; F170-V209 HydrophobicContact CD2-CG2 3.95Å; F170-V209 HydrophobicContact CE2-CG2 4.14Å; F170-Y212 AromaticContact CE2-CD2 3.86Å; F170-Y212 HydrophobicContact CE2-CD2 3.86Å; F170-Y212 HydrophobicContact CE2-CE2 4.16Å; F170-Y212 AromaticContact CZ-CD2 3.91Å; F170-Y212 HydrophobicContact CZ-CD2 3.91Å; F170-Y212 AromaticContact CZ-CE2 3.71Å; F170-Y212 HydrophobicContact CZ-CE2 3.71Å
171	G	95.4	Very high	93.5	Very high	15 Å²	15	51.2 Å²	51.2	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-42.3	172.3	0	0	0	0	0	113	D167 D168 S175	D167-G171 PolarHBondContact O-N 2.86Å; D168-G171 WeakPolarHBondContact O-CA 3.46Å; D168-G171 PolarHBondContact O-N 3.1Å; D168-G171 VanDerWaalsContact O-N 3.13Å; G171-S175 WeakPolarHBondContact O-CB 3.49Å; G171-S175 PolarHBondContact O-N 3Å; G171-S175 PolarHBondContact O-OG 3.38Å
172	M	94.6	Very high	94.1	Very high	12 Å²	12	47 Å²	47	6%	0.059	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-52.2	173.8	-73.8	-164.9	64.6	0	0	111.9	L136 M137 L164 D168 C169 F170 R174 S175 A176 W188	L136-M172 HydrophobicContact CB-CE 3.71Å; L136-M172 HydrophobicContact CD1-CE 4.08Å; L136-M172 HydrophobicContact CD1-SD 3.96Å; M137-M172 HydrophobicContact CE-CB 4.17Å; M137-M172 HydrophobicContact CE-CE 4.05Å; M137-M172 WeakPolarHBondContact CE-O 3.37Å; M137-M172 HydrophobicContact CG-CE 4.16Å; L164-M172 HydrophobicContact CD1-SD 3.87Å; D168-M172 PolarHBondContact O-N 3.3Å; C169-M172 PolarHBondContact O-N 3.08Å; F170-M172 VanDerWaalsContact C-N 3.33Å; F170-M172 PolarHBondContact O-N 3.34Å; M172-R174 VanDerWaalsContact C-N 3.29Å; M172-R174 PolarHBondContact O-N 2.88Å; M172-S175 WeakPolarHBondContact O-CB 3.33Å; M172-S175 PolarHBondContact O-N 3.4Å; M172-S175 VanDerWaalsContact O-N 3.15Å; M172-A176 PolarHBondContact O-N 3.38Å; M172-W188 HydrophobicContact CB-CD2 4.02Å; M172-W188 HydrophobicContact CB-CE3 4.26Å; M172-W188 HydrophobicContact CB-CG 4.18Å; M172-W188 HydrophobicContact CE-CD2 4.13Å; M172-W188 VanDerWaalsContact CE-CE2 3.41Å; M172-W188 HydrophobicContact CE-CH2 3.88Å; M172-W188 HydrophobicContact CE-CZ2 3.28Å; M172-W188 HydrophobicContact SD-CD2 4.24Å; M172-W188 HydrophobicContact SD-CE3 4.17Å; M172-W188 HydrophobicContact SD-CH2 3.61Å; M172-W188 HydrophobicContact SD-CZ2 3.69Å; M172-W188 HydrophobicContact SD-CZ3 3.87Å
173	G	96.3	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-38	179	0	0	0	0	0	112.9	C169 F170 A176 Y177	C169-G173 PolarHBondContact O-N 2.96Å; F170-G173 PolarHBondContact O-N 3.32Å; G173-A176 PolarHBondContact O-N 3Å; G173-Y177 WeakPolarHBondContact O-CB 3.21Å; G173-Y177 PolarHBondContact O-N 3.04Å
174	R	95.3	Very high	94.5	Very high	109 Å²	109	40.7 Å²	40.7	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-39.1	176	-170.8	-178.4	69.9	-172	-0.7	112.1	F170 M172 Y177 N178 Y212	F170-R174 WeakPolarHBondContact O-CB 3.43Å; F170-R174 PolarHBondContact O-N 3.47Å; M172-R174 VanDerWaalsContact C-N 3.29Å; M172-R174 PolarHBondContact O-N 2.88Å; R174-Y177 PolarHBondContact O-N 3.23Å; R174-N178 VanDerWaalsContact O-CG 3.23Å; R174-N178 PolarHBondContact O-N 3.14Å; R174-N178 PolarHBondContact O-ND2 3.45Å; R174-Y212 HydrophobicContact CG-CE1 4.2Å
175	S	92.8	Very high	94.6	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-42.9	174.7	-65.3	0	0	0	0	111.5	G171 M172 E179	G171-S175 WeakPolarHBondContact O-CB 3.49Å; G171-S175 PolarHBondContact O-N 3Å; G171-S175 PolarHBondContact O-OG 3.38Å; M172-S175 WeakPolarHBondContact O-CB 3.33Å; M172-S175 PolarHBondContact O-N 3.4Å; M172-S175 VanDerWaalsContact O-N 3.15Å; S175-E179 WeakPolarHBondContact O-CG 3.19Å; S175-E179 PolarHBondContact O-N 3.07Å
176	A	93.2	Very high	94.5	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-46.2	173.5	0	0	0	0	0	111.9	M137 M172 G173 N178 E179 G180 D181 H184	M137-A176 HydrophobicContact CE-CB 3.71Å; M137-A176 HydrophobicContact SD-CB 4.04Å; M172-A176 PolarHBondContact O-N 3.38Å; G173-A176 PolarHBondContact O-N 3Å; A176-N178 PolarHBondContact O-N 3.03Å; A176-E179 PolarHBondContact O-N 3.48Å; A176-E179 VanDerWaalsContact O-N 3.16Å; A176-G180 PolarHBondContact O-N 3Å; A176-D181 HydrophobicContact CB-CB 4.2Å; A176-D181 PolarHBondContact O-N 3.42Å; A176-H184 HydrophobicContact CB-CB 3.82Å
177	Y	94.8	Very high	94.5	Very high	50 Å²	50	38.4 Å²	38.4	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-46.1	-179.4	178.6	-85.5	0	0	0	112.3	G173 R174 E179 G180 Y182 T185 Y212 Y215	G173-Y177 WeakPolarHBondContact O-CB 3.21Å; G173-Y177 PolarHBondContact O-N 3.04Å; R174-Y177 PolarHBondContact O-N 3.23Å; Y177-E179 PolarHBondContact O-N 3.11Å; Y177-G180 PolarHBondContact O-N 2.84Å; Y177-Y182 HydrophobicContact CD2-CD1 4.29Å; Y177-Y182 HydrophobicContact CD2-CE1 4.12Å; Y177-Y182 HydrophobicContact CE2-CE1 4.2Å; Y177-T185 WeakPolarHBondContact CA-OG1 3.32Å; Y177-T185 HydrophobicContact CD2-CG2 4.07Å; Y177-T185 PolarHBondContact N-OG1 3.15Å; Y177-Y212 AromaticContact CD1-CD1 3.82Å; Y177-Y212 HydrophobicContact CD1-CD1 3.82Å; Y177-Y212 AromaticContact CD1-CE1 3.75Å; Y177-Y212 HydrophobicContact CD1-CE1 3.75Å; Y177-Y212 AromaticContact CD2-CD1 3.7Å; Y177-Y212 HydrophobicContact CD2-CD1 3.7Å; Y177-Y212 HydrophobicContact CD2-CE1 4.47Å; Y177-Y212 HydrophobicContact CE1-CD1 4.1Å; Y177-Y212 AromaticContact CE1-CE1 4Å; Y177-Y212 HydrophobicContact CE1-CE1 4Å; Y177-Y212 AromaticContact CE2-CD1 3.9Å; Y177-Y212 HydrophobicContact CE2-CD1 3.9Å; Y177-Y212 AromaticContact CG-CD1 3.63Å; Y177-Y212 HydrophobicContact CG-CD1 3.63Å; Y177-Y212 HydrophobicContact CG-CE1 4.03Å; Y177-Y215 AromaticContact CE2-CD1 3.43Å; Y177-Y215 HydrophobicContact CE2-CD1 3.43Å; Y177-Y215 VanDerWaalsContact CE2-CD1 3.43Å; Y177-Y215 HydrophobicContact CE2-CE1 4.08Å; Y177-Y215 HydrophobicContact CE2-CG 4.21Å; Y177-Y215 AromaticContact CZ-CD1 3.78Å; Y177-Y215 WeakPolarHBondContact OH-CD1 3.43Å
178	N	91.4	Very high	94.5	Very high	108 Å²	108	36 Å²	36	58%	0.578	18%	0.184	S	C	*	.	H	α-helix	trans	-64	-24.5	-178.2	-70.6	-18.9	0	0	0	112.7	R174 A176	R174-N178 VanDerWaalsContact O-CG 3.23Å; R174-N178 PolarHBondContact O-N 3.14Å; R174-N178 PolarHBondContact O-ND2 3.45Å; A176-N178 PolarHBondContact O-N 3.03Å
179	E	86.7	Confident	94.6	Very high	115 Å²	115	32.2 Å²	32.2	54%	0.537	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.3	177	-64	-74.2	145.2	0	0	112.8	K134 S175 A176 Y177 D181	K134-E179 WeakPolarHBondContact CE-OE2 3.45Å; K134-E179 IonicContact NZ-OE1 3.87Å; K134-E179 PolarHBondContact NZ-OE1 3.36Å; K134-E179 IonicContact NZ-OE2 3.42Å; K134-E179 PolarHBondContact NZ-OE2 2.88Å; S175-E179 WeakPolarHBondContact O-CG 3.19Å; S175-E179 PolarHBondContact O-N 3.07Å; A176-E179 PolarHBondContact O-N 3.48Å; A176-E179 VanDerWaalsContact O-N 3.16Å; Y177-E179 PolarHBondContact O-N 3.11Å; E179-D181 VanDerWaalsContact C-N 3.3Å
180	G	90.8	Very high	94.6	Very high	38 Å²	38	34.8 Å²	34.8	39%	0.392	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	12.6	-175.5	0	0	0	0	0	114.2	A176 Y177 Y182	A176-G180 PolarHBondContact O-N 3Å; Y177-G180 PolarHBondContact O-N 2.84Å; G180-Y182 VanDerWaalsContact C-N 3.31Å; G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; G180-Y182 PolarHBondContact O-N 3.37Å; G180-Y182 VanDerWaalsContact O-N 3.08Å
181	D	91.8	Very high	94.5	Very high	55 Å²	55	34.7 Å²	34.7	29%	0.294	18%	0.175	S	C	.	.			trans	-83.7	77.2	174	-168.3	-23.3	0	0	0	110	A176 E179 Y183 H184 T185	A176-D181 HydrophobicContact CB-CB 4.2Å; A176-D181 PolarHBondContact O-N 3.42Å; E179-D181 VanDerWaalsContact C-N 3.3Å; D181-Y183 PolarHBondContact O-N 3.16Å; D181-Y183 PolarHBondContact OD1-N 2.98Å; D181-H184 IonicContact OD1-CG 3.94Å; D181-H184 PolarHBondContact OD1-N 3.24Å; D181-H184 IonicContact OD1-ND1 2.88Å; D181-H184 PolarHBondContact OD1-ND1 2.98Å; D181-H184 VanDerWaalsContact OD1-ND1 3.15Å; D181-H184 IonicContact OD2-CE1 3.76Å; D181-H184 IonicContact OD2-CG 3.9Å; D181-H184 IonicContact OD2-ND1 3.59Å; D181-H184 PolarHBondContact OD2-ND1 3.17Å; D181-T185 WeakPolarHBondContact O-CB 3.41Å; D181-T185 PolarHBondContact O-N 2.88Å; D181-T185 PolarHBondContact O-OG1 3.21Å
182	Y	94.8	Very high	94.7	Very high	52 Å²	52	34 Å²	34	20%	0.204	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-25.9	-179	-56.9	-57.7	0	0	0	112.6	Y177 G180 T185 V186 Y215 A216 Q219	Y177-Y182 HydrophobicContact CD2-CD1 4.29Å; Y177-Y182 HydrophobicContact CD2-CE1 4.12Å; Y177-Y182 HydrophobicContact CE2-CE1 4.2Å; G180-Y182 VanDerWaalsContact C-N 3.31Å; G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; G180-Y182 PolarHBondContact O-N 3.37Å; G180-Y182 VanDerWaalsContact O-N 3.08Å; Y182-T185 WeakPolarHBondContact O-CB 3.32Å; Y182-T185 PolarHBondContact O-N 3.33Å; Y182-V186 WeakPolarHBondContact O-CG2 3.18Å; Y182-V186 PolarHBondContact O-N 2.99Å; Y182-Y215 HydrophobicContact CE1-CD1 4.09Å; Y182-Y215 AromaticContact CE1-CE1 3.85Å; Y182-Y215 HydrophobicContact CE1-CE1 3.85Å; Y182-Y215 AromaticContact CZ-CE1 3.98Å; Y182-A216 HydrophobicContact CD1-CB 4.03Å; Y182-A216 HydrophobicContact CG-CB 4.49Å; Y182-Q219 HydrophobicContact CD1-CB 4.24Å; Y182-Q219 HydrophobicContact CD1-CG 4.25Å; Y182-Q219 HydrophobicContact CD2-CB 3.38Å; Y182-Q219 HydrophobicContact CD2-CG 3.88Å; Y182-Q219 HydrophobicContact CE1-CB 4.46Å; Y182-Q219 HydrophobicContact CE1-CG 4.03Å; Y182-Q219 HydrophobicContact CE2-CB 3.63Å; Y182-Q219 HydrophobicContact CE2-CG 3.61Å; Y182-Q219 HydrophobicContact CG-CB 3.71Å; Y182-Q219 HydrophobicContact CG-CG 4.18Å
183	Y	94.2	Very high	94.8	Very high	44 Å²	44	34 Å²	34	17%	0.173	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-56	175.4	172.4	-103.4	0	0	0	111.1	D181 T185 V186 L187 Y277 R279	D181-Y183 PolarHBondContact O-N 3.16Å; D181-Y183 PolarHBondContact OD1-N 2.98Å; Y183-T185 VanDerWaalsContact C-N 3.29Å; Y183-T185 PolarHBondContact O-N 3.03Å; Y183-V186 PolarHBondContact O-N 3.35Å; Y183-L187 HydrophobicContact CD1-CD1 4.25Å; Y183-L187 HydrophobicContact CE1-CD1 3.66Å; Y183-L187 HydrophobicContact CE2-CD1 4.15Å; Y183-L187 WeakPolarHBondContact O-CG 3.37Å; Y183-L187 PolarHBondContact O-N 3.31Å; Y183-Y277 WeakPolarHBondContact CE2-O 3.37Å; Y183-R279 HydrophobicContact CD1-CB 4.5Å; Y183-R279 HydrophobicContact CD1-CG 4.39Å; Y183-R279 HydrophobicContact CE1-CB 4.33Å; Y183-R279 HydrophobicContact CE1-CG 4.47Å
184	H	95.2	Very high	94.9	Very high	2 Å²	2	39 Å²	39	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-32.4	176.4	-73.4	101	0	0	0	112.3	M137 Q140 D141 A176 D181 V186 L187 W188	M137-H184 HydrophobicContact CG-CB 4.35Å; M137-H184 HydrophobicContact SD-CB 4.06Å; Q140-H184 PolarHBondContact OE1-CD2 2.95Å; D141-H184 IonicContact OD1-CE1 2.75Å; D141-H184 PolarHBondContact OD1-CE1 3.39Å; D141-H184 VanDerWaalsContact OD1-CE1 3.24Å; D141-H184 IonicContact OD1-NE2 3.14Å; D141-H184 PolarHBondContact OD1-NE2 3.34Å; D141-H184 VanDerWaalsContact OD1-NE2 3.13Å; D141-H184 IonicContact OD2-CE1 3.97Å; D141-H184 PolarHBondContact OD2-CE1 3.42Å; D141-H184 VanDerWaalsContact OD2-CE1 3.31Å; D141-H184 IonicContact OD2-NE2 2.63Å; A176-H184 HydrophobicContact CB-CB 3.82Å; D181-H184 IonicContact OD1-CG 3.94Å; D181-H184 PolarHBondContact OD1-N 3.24Å; D181-H184 IonicContact OD1-ND1 2.88Å; D181-H184 PolarHBondContact OD1-ND1 2.98Å; D181-H184 VanDerWaalsContact OD1-ND1 3.15Å; D181-H184 IonicContact OD2-CE1 3.76Å; D181-H184 IonicContact OD2-CG 3.9Å; D181-H184 IonicContact OD2-ND1 3.59Å; D181-H184 PolarHBondContact OD2-ND1 3.17Å; H184-V186 VanDerWaalsContact C-N 3.33Å; H184-V186 PolarHBondContact O-N 3.29Å; H184-L187 PolarHBondContact O-N 3Å; H184-W188 VanDerWaalsContact O-CD1 3.23Å; H184-W188 PolarHBondContact O-N 3.41Å
185	T	96.7	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.3	-49	174.5	-57.4	0	0	0	0	111	Y177 D181 Y182 Y183 W188 M189 A216	Y177-T185 WeakPolarHBondContact CA-OG1 3.32Å; Y177-T185 HydrophobicContact CD2-CG2 4.07Å; Y177-T185 PolarHBondContact N-OG1 3.15Å; D181-T185 WeakPolarHBondContact O-CB 3.41Å; D181-T185 PolarHBondContact O-N 2.88Å; D181-T185 PolarHBondContact O-OG1 3.21Å; Y182-T185 WeakPolarHBondContact O-CB 3.32Å; Y182-T185 PolarHBondContact O-N 3.33Å; Y183-T185 VanDerWaalsContact C-N 3.29Å; Y183-T185 PolarHBondContact O-N 3.03Å; T185-W188 PolarHBondContact O-N 3.04Å; T185-M189 HydrophobicContact CG2-CE 4.46Å; T185-M189 HydrophobicContact CG2-CG 3.94Å; T185-M189 VanDerWaalsContact O-CB 3.24Å; T185-M189 WeakPolarHBondContact O-CB 3.25Å; T185-M189 WeakPolarHBondContact O-CG 3.43Å; T185-M189 PolarHBondContact O-N 2.99Å; T185-A216 HydrophobicContact CG2-CB 3.71Å
186	V	96.3	Very high	95.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-50.5	179.7	169.7	0	0	0	0	110.8	Y182 Y183 H184 W188 M189 E190 L213 A216 V217 L220 Y277	Y182-V186 WeakPolarHBondContact O-CG2 3.18Å; Y182-V186 PolarHBondContact O-N 2.99Å; Y183-V186 PolarHBondContact O-N 3.35Å; H184-V186 VanDerWaalsContact C-N 3.33Å; H184-V186 PolarHBondContact O-N 3.29Å; V186-W188 PolarHBondContact O-N 3.39Å; V186-M189 PolarHBondContact O-N 3.43Å; V186-E190 HydrophobicContact CG1-CG 4.33Å; V186-E190 VanDerWaalsContact CG1-OE1 3.26Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.47Å; V186-E190 WeakPolarHBondContact O-CB 2.98Å; V186-E190 VanDerWaalsContact O-CG 3.27Å; V186-E190 WeakPolarHBondContact O-CG 3.46Å; V186-E190 PolarHBondContact O-N 3.3Å; V186-L213 HydrophobicContact CB-CD1 4.15Å; V186-L213 HydrophobicContact CG1-CD1 3.96Å; V186-L213 HydrophobicContact CG2-CD1 4.06Å; V186-A216 HydrophobicContact CG2-CB 3.79Å; V186-V217 HydrophobicContact CG1-CG2 4.38Å; V186-V217 HydrophobicContact CG2-CG2 3.74Å; V186-L220 HydrophobicContact CG2-CD1 3.82Å; V186-Y277 HydrophobicContact CG1-CD2 3.82Å; V186-Y277 HydrophobicContact CG1-CE2 3.61Å
187	L	96.1	Very high	95.3	Very high	37 Å²	37	38.8 Å²	38.8	19%	0.194	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-45	-178.2	-65.2	-179.7	0	0	0	112.8	P147 Y183 H184 Q191	P147-L187 HydrophobicContact CG-CB 3.87Å; Y183-L187 HydrophobicContact CD1-CD1 4.25Å; Y183-L187 HydrophobicContact CE1-CD1 3.66Å; Y183-L187 HydrophobicContact CE2-CD1 4.15Å; Y183-L187 WeakPolarHBondContact O-CG 3.37Å; Y183-L187 PolarHBondContact O-N 3.31Å; H184-L187 PolarHBondContact O-N 3Å; L187-Q191 PolarHBondContact O-N 3.49Å
188	W	97.6	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-74.9	-38.9	-179.6	-76.5	102.2	0	0	0	112.5	P147 I150 L164 C169 M172 H184 T185 V186 E190 Q191 V192	P147-W188 HydrophobicContact CB-CD2 4.29Å; P147-W188 HydrophobicContact CB-CE3 4.17Å; P147-W188 HydrophobicContact CB-CH2 4.23Å; P147-W188 HydrophobicContact CB-CZ2 4.31Å; P147-W188 HydrophobicContact CB-CZ3 4.15Å; I150-W188 HydrophobicContact CB-CH2 3.91Å; I150-W188 HydrophobicContact CB-CZ2 4.38Å; I150-W188 HydrophobicContact CD1-CZ2 4.19Å; I150-W188 HydrophobicContact CG2-CH2 3.72Å; I150-W188 HydrophobicContact CG2-CZ2 4.19Å; L164-W188 HydrophobicContact CD1-CH2 4.05Å; L164-W188 HydrophobicContact CD1-CZ3 4.04Å; C169-W188 HydrophobicContact CB-CE3 4.11Å; C169-W188 HydrophobicContact CB-CZ3 4.41Å; M172-W188 HydrophobicContact CB-CD2 4.02Å; M172-W188 HydrophobicContact CB-CE3 4.26Å; M172-W188 HydrophobicContact CB-CG 4.18Å; M172-W188 HydrophobicContact CE-CD2 4.13Å; M172-W188 VanDerWaalsContact CE-CE2 3.41Å; M172-W188 HydrophobicContact CE-CH2 3.88Å; M172-W188 HydrophobicContact CE-CZ2 3.28Å; M172-W188 HydrophobicContact SD-CD2 4.24Å; M172-W188 HydrophobicContact SD-CE3 4.17Å; M172-W188 HydrophobicContact SD-CH2 3.61Å; M172-W188 HydrophobicContact SD-CZ2 3.69Å; M172-W188 HydrophobicContact SD-CZ3 3.87Å; H184-W188 VanDerWaalsContact O-CD1 3.23Å; H184-W188 PolarHBondContact O-N 3.41Å; T185-W188 PolarHBondContact O-N 3.04Å; V186-W188 PolarHBondContact O-N 3.39Å; W188-E190 VanDerWaalsContact C-N 3.32Å; W188-E190 PolarHBondContact O-N 2.98Å; W188-Q191 WeakPolarHBondContact O-CB 3.43Å; W188-Q191 PolarHBondContact O-N 3.14Å; W188-V192 VanDerWaalsContact O-CG2 3.26Å; W188-V192 WeakPolarHBondContact O-CG2 3.34Å; W188-V192 PolarHBondContact O-N 3.13Å
189	M	97.9	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-34	176.7	-67.9	-70.1	171.8	0	0	112.2	F170 T185 V186 V192 L193 V209 Y212 L213	F170-M189 HydrophobicContact CD2-CE 3.78Å; F170-M189 HydrophobicContact CD2-SD 3.65Å; F170-M189 HydrophobicContact CE2-CE 3.71Å; F170-M189 HydrophobicContact CE2-SD 3.8Å; T185-M189 HydrophobicContact CG2-CE 4.46Å; T185-M189 HydrophobicContact CG2-CG 3.94Å; T185-M189 VanDerWaalsContact O-CB 3.24Å; T185-M189 WeakPolarHBondContact O-CB 3.25Å; T185-M189 WeakPolarHBondContact O-CG 3.43Å; T185-M189 PolarHBondContact O-N 2.99Å; V186-M189 PolarHBondContact O-N 3.43Å; M189-V192 PolarHBondContact O-N 3.46Å; M189-L193 WeakPolarHBondContact O-CG 3.25Å; M189-L193 PolarHBondContact O-N 3.22Å; M189-V209 HydrophobicContact CB-CG1 3.99Å; M189-V209 WeakPolarHBondContact O-CG1 3.37Å; M189-V209 HydrophobicContact SD-CB 4.49Å; M189-V209 HydrophobicContact SD-CG1 3.85Å; M189-Y212 HydrophobicContact CE-CD1 4.37Å; M189-Y212 HydrophobicContact CE-CD2 4.09Å; M189-Y212 HydrophobicContact CE-CG 3.76Å; M189-L213 HydrophobicContact CB-CB 3.97Å; M189-L213 HydrophobicContact CB-CD1 3.98Å; M189-L213 HydrophobicContact CB-CG 4.38Å
190	E	96.6	Very high	96.1	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-42.2	170.6	-75	174.4	179.6	0	0	112.1	V186 W188 V192 L193 K194 L213 R225	V186-E190 HydrophobicContact CG1-CG 4.33Å; V186-E190 VanDerWaalsContact CG1-OE1 3.26Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.47Å; V186-E190 WeakPolarHBondContact O-CB 2.98Å; V186-E190 VanDerWaalsContact O-CG 3.27Å; V186-E190 WeakPolarHBondContact O-CG 3.46Å; V186-E190 PolarHBondContact O-N 3.3Å; W188-E190 VanDerWaalsContact C-N 3.32Å; W188-E190 PolarHBondContact O-N 2.98Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.19Å; E190-L193 PolarHBondContact O-N 2.94Å; E190-K194 PolarHBondContact O-N 3.39Å; E190-L213 HydrophobicContact CG-CD1 4.22Å; E190-L213 HydrophobicContact CG-CD2 4.38Å; E190-R225 IonicContact OE1-CZ 2.99Å; E190-R225 IonicContact OE1-NH1 3.66Å; E190-R225 PolarHBondContact OE1-NH1 3.41Å; E190-R225 IonicContact OE1-NH2 2.77Å; E190-R225 PolarHBondContact OE1-NH2 2.61Å
191	Q	97.3	Very high	96.2	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-40.4	174.8	-175.3	59.5	17.5	0	0	111.7	P147 D148 S151 L187 W188 K194 Q195	P147-Q191 HydrophobicContact CB-CB 3.91Å; P147-Q191 HydrophobicContact CB-CG 4.08Å; D148-Q191 PolarHBondContact OD1-NE2 2.75Å; S151-Q191 PolarHBondContact OG-NE2 3Å; L187-Q191 PolarHBondContact O-N 3.49Å; W188-Q191 WeakPolarHBondContact O-CB 3.43Å; W188-Q191 PolarHBondContact O-N 3.14Å; Q191-K194 WeakPolarHBondContact O-CB 3.5Å; Q191-K194 PolarHBondContact O-N 2.71Å; Q191-Q195 WeakPolarHBondContact O-CG 3.26Å; Q191-Q195 PolarHBondContact O-N 3.22Å
192	V	98.3	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-45.9	174.5	177.6	0	0	0	0	111.1	V166 C169 F170 W188 M189 E190 K194 Q195 L196 V209	V166-V192 HydrophobicContact CG1-CG1 3.71Å; C169-V192 VanDerWaalsContact C-CG2 3.46Å; C169-V192 HydrophobicContact CB-CG2 3.51Å; F170-V192 HydrophobicContact CB-CG1 4.32Å; F170-V192 HydrophobicContact CB-CG2 3.98Å; F170-V192 VanDerWaalsContact N-CG2 3.28Å; W188-V192 VanDerWaalsContact O-CG2 3.26Å; W188-V192 WeakPolarHBondContact O-CG2 3.34Å; W188-V192 PolarHBondContact O-N 3.13Å; M189-V192 PolarHBondContact O-N 3.46Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.19Å; V192-K194 VanDerWaalsContact C-N 3.28Å; V192-K194 PolarHBondContact O-N 3.49Å; V192-Q195 PolarHBondContact O-N 3.44Å; V192-L196 HydrophobicContact CG1-CD1 3.99Å; V192-L196 HydrophobicContact CG1-CG 4.46Å; V192-L196 WeakPolarHBondContact O-CB 3.4Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.26Å; V192-V209 HydrophobicContact CB-CG1 4.24Å; V192-V209 HydrophobicContact CB-CG2 4.35Å; V192-V209 HydrophobicContact CG1-CB 4.49Å; V192-V209 HydrophobicContact CG1-CG1 4.18Å; V192-V209 HydrophobicContact CG1-CG2 3.44Å; V192-V209 VanDerWaalsContact CG1-CG2 3.44Å
193	L	97.5	Very high	96.5	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-40.4	175.7	-71.7	-179.8	0	0	0	111.7	M189 E190 L196 D197 K206 V209 L210 L213	M189-L193 WeakPolarHBondContact O-CG 3.25Å; M189-L193 PolarHBondContact O-N 3.22Å; E190-L193 PolarHBondContact O-N 2.94Å; L193-L196 PolarHBondContact O-N 3.44Å; L193-D197 WeakPolarHBondContact O-CB 3.21Å; L193-D197 VanDerWaalsContact O-CG 3.27Å; L193-D197 PolarHBondContact O-N 3.18Å; L193-K206 HydrophobicContact CD2-CG 4.34Å; L193-V209 HydrophobicContact CD1-CG1 4.45Å; L193-V209 HydrophobicContact CD2-CB 4Å; L193-V209 HydrophobicContact CD2-CG1 3.73Å; L193-V209 HydrophobicContact CG-CB 4.5Å; L193-V209 HydrophobicContact CG-CG1 3.68Å; L193-L210 HydrophobicContact CD1-CD2 4.03Å; L193-L213 HydrophobicContact CD1-CD2 3.6Å
194	K	97	Very high	96.6	Very high	106 Å²	106	44.6 Å²	44.6	46%	0.461	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-45.8	177.3	-172.5	-173.2	179.8	-169	0	111.9	D148 E190 Q191 V192 D197 A198	D148-K194 IonicContact OD1-NZ 2.66Å; D148-K194 PolarHBondContact OD1-NZ 2.91Å; D148-K194 IonicContact OD2-NZ 3.44Å; D148-K194 PolarHBondContact OD2-NZ 3.36Å; E190-K194 PolarHBondContact O-N 3.39Å; Q191-K194 WeakPolarHBondContact O-CB 3.5Å; Q191-K194 PolarHBondContact O-N 2.71Å; V192-K194 VanDerWaalsContact C-N 3.28Å; V192-K194 PolarHBondContact O-N 3.49Å; K194-D197 PolarHBondContact O-N 3.45Å; K194-A198 PolarHBondContact O-N 3.19Å
195	Q	97.5	Very high	96.6	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-41.5	177	-67.5	-177	-72	0	0	111.9	L164 V166 C169 Q191 V192 D197 A198 G199 E200	L164-Q195 PolarHBondContact O-NE2 2.89Å; L164-Q195 VanDerWaalsContact O-NE2 3.1Å; V166-Q195 HydrophobicContact CG2-CB 3.71Å; C169-Q195 PolarHBondContact SG-OE1 2.85Å; Q191-Q195 WeakPolarHBondContact O-CG 3.26Å; Q191-Q195 PolarHBondContact O-N 3.22Å; V192-Q195 PolarHBondContact O-N 3.44Å; Q195-D197 VanDerWaalsContact C-N 3.34Å; Q195-D197 PolarHBondContact O-N 3.5Å; Q195-A198 WeakPolarHBondContact O-CB 3.13Å; Q195-A198 PolarHBondContact O-N 3.37Å; Q195-G199 PolarHBondContact O-N 3.21Å; Q195-E200 HydrophobicContact CB-CG 4.43Å; Q195-E200 WeakPolarHBondContact CB-OE1 3.45Å; Q195-E200 WeakPolarHBondContact CG-OE1 3.33Å; Q195-E200 PolarHBondContact NE2-OE2 3.29Å; Q195-E200 PolarHBondContact O-N 3.13Å
196	L	97.4	Very high	96.6	Very high	27 Å²	27	50.7 Å²	50.7	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-36.6	174.7	-74.2	172.7	0	0	0	112.7	V166 V192 L193 A198 G199 A202 K206 V209	V166-L196 HydrophobicContact CG1-CD1 4.27Å; V166-L196 HydrophobicContact CG1-CD2 3.73Å; V166-L196 HydrophobicContact CG1-CG 3.71Å; V166-L196 HydrophobicContact CG2-CD2 4.49Å; V192-L196 HydrophobicContact CG1-CD1 3.99Å; V192-L196 HydrophobicContact CG1-CG 4.46Å; V192-L196 WeakPolarHBondContact O-CB 3.4Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.26Å; L193-L196 PolarHBondContact O-N 3.44Å; L196-A198 VanDerWaalsContact C-N 3.3Å; L196-G199 PolarHBondContact O-N 3.44Å; L196-A202 HydrophobicContact CD2-CB 3.93Å; L196-K206 HydrophobicContact CB-CG 4.28Å; L196-K206 HydrophobicContact CD1-CG 3.8Å; L196-V209 HydrophobicContact CD1-CG2 4.16Å
197	D	96.4	Very high	96.6	Very high	92 Å²	92	51.9 Å²	51.9	49%	0.492	30%	0.299	S	S	.	.	H	α-helix	trans	-70.9	-27	175.2	-75.4	-23.5	0	0	0	112	L193 K194 Q195 G199 K206 R232	L193-D197 WeakPolarHBondContact O-CB 3.21Å; L193-D197 VanDerWaalsContact O-CG 3.27Å; L193-D197 PolarHBondContact O-N 3.18Å; K194-D197 PolarHBondContact O-N 3.45Å; Q195-D197 VanDerWaalsContact C-N 3.34Å; Q195-D197 PolarHBondContact O-N 3.5Å; D197-G199 PolarHBondContact O-N 2.83Å; D197-K206 WeakPolarHBondContact OD1-CE 3.45Å; D197-K206 IonicContact OD1-NZ 2.74Å; D197-K206 PolarHBondContact OD1-NZ 3.26Å; D197-R232 IonicContact OD2-NH2 2.86Å
198	A	96.4	Very high	96.7	Very high	78 Å²	78	54.3 Å²	54.3	65%	0.645	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.6	171.2	0	0	0	0	0	113.7	K194 Q195 L196	K194-A198 PolarHBondContact O-N 3.19Å; Q195-A198 WeakPolarHBondContact O-CB 3.13Å; Q195-A198 PolarHBondContact O-N 3.37Å; L196-A198 VanDerWaalsContact C-N 3.3Å
199	G	95.6	Very high	96.7	Very high	64 Å²	64	54.3 Å²	54.3	66%	0.66	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	22.6	176.9	0	0	0	0	0	114.5	Q195 L196 D197	Q195-G199 PolarHBondContact O-N 3.21Å; L196-G199 PolarHBondContact O-N 3.44Å; D197-G199 PolarHBondContact O-N 2.83Å
200	E	95.9	Very high	96.7	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	31%	0.309	S	S	.	.			trans	-65.9	138.8	173.1	-66.5	179.5	-138.5	0	0	111.2	V166 Q195	V166-E200 HydrophobicContact CG2-CB 3.65Å; Q195-E200 HydrophobicContact CB-CG 4.43Å; Q195-E200 WeakPolarHBondContact CB-OE1 3.45Å; Q195-E200 WeakPolarHBondContact CG-OE1 3.33Å; Q195-E200 PolarHBondContact NE2-OE2 3.29Å; Q195-E200 PolarHBondContact O-N 3.13Å
201	E	93.9	Very high	96.7	Very high	191 Å²	191	52.4 Å²	52.4	89%	0.893	30%	0.3	S	S	*	.			trans	-71.1	131.7	178.3	-69.1	-173.1	171.3	0	0	110.7
202	A	96.2	Very high	96.7	Very high	40 Å²	40	54.2 Å²	54.2	33%	0.331	31%	0.307	S	S	.	.			trans	-153.1	154.1	-177.5	0	0	0	0	0	111.7	V166 L196	V166-A202 HydrophobicContact CB-CB 3.5Å; V166-A202 HydrophobicContact CG1-CB 3.49Å; V166-A202 VanDerWaalsContact CG1-CB 3.49Å; V166-A202 HydrophobicContact CG2-CB 3.94Å; L196-A202 HydrophobicContact CD2-CB 3.93Å
203	T	96.2	Very high	96.7	Very high	118 Å²	118	54.2 Å²	54.2	72%	0.724	31%	0.307	S	S	*	.	S	Bend	trans	-83	-29	166.7	59.9	0	0	0	0	111.9	D167	D167-T203 VanDerWaalsContact CG-OG1 3.22Å; D167-T203 PolarHBondContact OD1-N 3.39Å; D167-T203 PolarHBondContact OD1-OG1 3.41Å; D167-T203 PolarHBondContact OD2-N 3.34Å; D167-T203 PolarHBondContact OD2-OG1 3.3Å
204	T	96.3	Very high	96.6	Very high	11 Å²	11	53.6 Å²	53.6	7%	0.067	30%	0.304	C	S	.	.	S	Bend	trans	-66.6	130.8	176.6	-60.4	0	0	0	0	111.6	D167 F170 V209	D167-T204 WeakPolarHBondContact OD1-CB 3.13Å; D167-T204 PolarHBondContact OD1-N 3.06Å; D167-T204 PolarHBondContact OD1-OG1 3.27Å; F170-T204 HydrophobicContact CB-CG2 4.05Å; F170-T204 HydrophobicContact CD1-CG2 3.83Å; F170-T204 WeakPolarHBondContact CD1-OG1 3.48Å; F170-T204 HydrophobicContact CD2-CG2 3.68Å; F170-T204 HydrophobicContact CE1-CG2 4.16Å; F170-T204 HydrophobicContact CE2-CG2 4.02Å; F170-T204 HydrophobicContact CG-CG2 3.57Å; F170-T204 HydrophobicContact CZ-CG2 4.25Å; T204-V209 HydrophobicContact CG2-CG2 3.6Å
205	T	96.5	Very high	96.5	Very high	63 Å²	63	52 Å²	52	39%	0.387	30%	0.295	S	S	.	.			trans	-95.5	153.5	177.8	70.2	0	0	0	0	112.4	S207 Q208 V209	T205-S207 PolarHBondContact O-N 3.01Å; T205-S207 PolarHBondContact OG1-OG 3.46Å; T205-Q208 WeakPolarHBondContact O-CB 3.49Å; T205-Q208 PolarHBondContact O-N 3.07Å; T205-Q208 VanDerWaalsContact O-N 3.1Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.5Å; T205-Q208 PolarHBondContact OG1-N 3.04Å; T205-Q208 PolarHBondContact OG1-OE1 3.33Å; T205-V209 WeakPolarHBondContact O-CG2 3.47Å; T205-V209 PolarHBondContact O-N 3.16Å
206	K	96.8	Very high	96.5	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-56	-33.1	172.4	-70.8	-179.2	175.5	176.2	0	113	L193 L196 D197 V209 L210 L236	L193-K206 HydrophobicContact CD2-CG 4.34Å; L196-K206 HydrophobicContact CB-CG 4.28Å; L196-K206 HydrophobicContact CD1-CG 3.8Å; D197-K206 WeakPolarHBondContact OD1-CE 3.45Å; D197-K206 IonicContact OD1-NZ 2.74Å; D197-K206 PolarHBondContact OD1-NZ 3.26Å; K206-V209 PolarHBondContact O-N 3.07Å; K206-L210 WeakPolarHBondContact O-CB 3.41Å; K206-L210 VanDerWaalsContact O-CG 3.22Å; K206-L210 WeakPolarHBondContact O-CG 3.37Å; K206-L210 PolarHBondContact O-N 3.34Å; K206-L236 HydrophobicContact CB-CD1 3.84Å
207	S	96.3	Very high	96.4	Very high	27 Å²	27	50.3 Å²	50.3	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-42.6	177	53.2	0	0	0	0	112.2	T205 V209 L210 D211	T205-S207 PolarHBondContact O-N 3.01Å; T205-S207 PolarHBondContact OG1-OG 3.46Å; S207-V209 PolarHBondContact O-N 3.27Å; S207-L210 PolarHBondContact O-N 3.45Å; S207-D211 PolarHBondContact O-N 3.17Å; S207-D211 VanDerWaalsContact O-N 3.16Å
208	Q	96.5	Very high	96.2	Very high	88 Å²	88	48 Å²	48	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-61	-45.8	175.6	-71.4	171.7	-49.4	0	0	111.2	F170 T205 L210 D211 Y212	F170-Q208 HydrophobicContact CE2-CB 4.49Å; F170-Q208 HydrophobicContact CZ-CB 4.2Å; T205-Q208 WeakPolarHBondContact O-CB 3.49Å; T205-Q208 PolarHBondContact O-N 3.07Å; T205-Q208 VanDerWaalsContact O-N 3.1Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.5Å; T205-Q208 PolarHBondContact OG1-N 3.04Å; T205-Q208 PolarHBondContact OG1-OE1 3.33Å; Q208-L210 PolarHBondContact O-N 2.92Å; Q208-D211 WeakPolarHBondContact O-CB 3.35Å; Q208-D211 PolarHBondContact O-N 3.37Å; Q208-Y212 VanDerWaalsContact O-CD2 3.31Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.43Å; Q208-Y212 PolarHBondContact O-N 3.48Å
209	V	97.8	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-44.7	-179.4	-177.3	0	0	0	0	111.6	F170 M189 V192 L193 L196 T204 T205 K206 S207 D211 Y212 L213	F170-V209 HydrophobicContact CD2-CG2 3.95Å; F170-V209 HydrophobicContact CE2-CG2 4.14Å; M189-V209 HydrophobicContact CB-CG1 3.99Å; M189-V209 WeakPolarHBondContact O-CG1 3.37Å; M189-V209 HydrophobicContact SD-CB 4.49Å; M189-V209 HydrophobicContact SD-CG1 3.85Å; V192-V209 HydrophobicContact CB-CG1 4.24Å; V192-V209 HydrophobicContact CB-CG2 4.35Å; V192-V209 HydrophobicContact CG1-CB 4.49Å; V192-V209 HydrophobicContact CG1-CG1 4.18Å; V192-V209 HydrophobicContact CG1-CG2 3.44Å; V192-V209 VanDerWaalsContact CG1-CG2 3.44Å; L193-V209 HydrophobicContact CD1-CG1 4.45Å; L193-V209 HydrophobicContact CD2-CB 4Å; L193-V209 HydrophobicContact CD2-CG1 3.73Å; L193-V209 HydrophobicContact CG-CB 4.5Å; L193-V209 HydrophobicContact CG-CG1 3.68Å; L196-V209 HydrophobicContact CD1-CG2 4.16Å; T204-V209 HydrophobicContact CG2-CG2 3.6Å; T205-V209 WeakPolarHBondContact O-CG2 3.47Å; T205-V209 PolarHBondContact O-N 3.16Å; K206-V209 PolarHBondContact O-N 3.07Å; S207-V209 PolarHBondContact O-N 3.27Å; V209-D211 VanDerWaalsContact C-N 3.27Å; V209-D211 PolarHBondContact O-N 3.13Å; V209-Y212 PolarHBondContact O-N 3.1Å; V209-L213 VanDerWaalsContact O-CB 3.29Å; V209-L213 WeakPolarHBondContact O-CB 3.46Å; V209-L213 PolarHBondContact O-N 3.38Å
210	L	97.8	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-29.5	179.1	-70.1	168.9	0	0	0	112.8	L193 K206 S207 Q208 S214 L229 R232 L233 L236	L193-L210 HydrophobicContact CD1-CD2 4.03Å; K206-L210 WeakPolarHBondContact O-CB 3.41Å; K206-L210 VanDerWaalsContact O-CG 3.22Å; K206-L210 WeakPolarHBondContact O-CG 3.37Å; K206-L210 PolarHBondContact O-N 3.34Å; S207-L210 PolarHBondContact O-N 3.45Å; Q208-L210 PolarHBondContact O-N 2.92Å; L210-S214 WeakPolarHBondContact O-CB 3.25Å; L210-S214 PolarHBondContact O-N 2.99Å; L210-S214 PolarHBondContact O-OG 3.09Å; L210-L229 HydrophobicContact CD2-CD2 3.74Å; L210-R232 HydrophobicContact CD1-CB 4.24Å; L210-R232 HydrophobicContact CD1-CG 3.88Å; L210-L233 HydrophobicContact CB-CB 3.92Å; L210-L233 HydrophobicContact CB-CD1 4.12Å; L210-L233 HydrophobicContact CB-CG 4.18Å; L210-L233 HydrophobicContact CD1-CB 4.28Å; L210-L236 HydrophobicContact CD1-CD1 3.84Å
211	D	97	Very high	95.6	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-49.7	177.1	-169.3	38	0	0	0	110.7	S207 Q208 V209 S214 Y215 L233 H240 R242	S207-D211 PolarHBondContact O-N 3.17Å; S207-D211 VanDerWaalsContact O-N 3.16Å; Q208-D211 WeakPolarHBondContact O-CB 3.35Å; Q208-D211 PolarHBondContact O-N 3.37Å; V209-D211 VanDerWaalsContact C-N 3.27Å; V209-D211 PolarHBondContact O-N 3.13Å; D211-S214 PolarHBondContact O-OG 3.22Å; D211-S214 VanDerWaalsContact O-OG 3.14Å; D211-Y215 PolarHBondContact O-N 3.48Å; D211-L233 HydrophobicContact CB-CD1 3.86Å; D211-H240 IonicContact OD1-CE1 2.77Å; D211-H240 IonicContact OD2-CE1 3.01Å; D211-R242 WeakPolarHBondContact OD1-CD 3.5Å; D211-R242 IonicContact OD2-CZ 3.8Å; D211-R242 IonicContact OD2-NH1 2.86Å; D211-R242 PolarHBondContact OD2-NH1 3.01Å
212	Y	97.9	Very high	95.4	Very high	52 Å²	52	38 Å²	38	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-46.7	175.3	-73.3	-81.4	0	0	0	112.4	F170 R174 Y177 M189 Q208 V209 Y215 A216	F170-Y212 AromaticContact CE2-CD2 3.86Å; F170-Y212 HydrophobicContact CE2-CD2 3.86Å; F170-Y212 HydrophobicContact CE2-CE2 4.16Å; F170-Y212 AromaticContact CZ-CD2 3.91Å; F170-Y212 HydrophobicContact CZ-CD2 3.91Å; F170-Y212 AromaticContact CZ-CE2 3.71Å; F170-Y212 HydrophobicContact CZ-CE2 3.71Å; R174-Y212 HydrophobicContact CG-CE1 4.2Å; Y177-Y212 AromaticContact CD1-CD1 3.82Å; Y177-Y212 HydrophobicContact CD1-CD1 3.82Å; Y177-Y212 AromaticContact CD1-CE1 3.75Å; Y177-Y212 HydrophobicContact CD1-CE1 3.75Å; Y177-Y212 AromaticContact CD2-CD1 3.7Å; Y177-Y212 HydrophobicContact CD2-CD1 3.7Å; Y177-Y212 HydrophobicContact CD2-CE1 4.47Å; Y177-Y212 HydrophobicContact CE1-CD1 4.1Å; Y177-Y212 AromaticContact CE1-CE1 4Å; Y177-Y212 HydrophobicContact CE1-CE1 4Å; Y177-Y212 AromaticContact CE2-CD1 3.9Å; Y177-Y212 HydrophobicContact CE2-CD1 3.9Å; Y177-Y212 AromaticContact CG-CD1 3.63Å; Y177-Y212 HydrophobicContact CG-CD1 3.63Å; Y177-Y212 HydrophobicContact CG-CE1 4.03Å; M189-Y212 HydrophobicContact CE-CD1 4.37Å; M189-Y212 HydrophobicContact CE-CD2 4.09Å; M189-Y212 HydrophobicContact CE-CG 3.76Å; Q208-Y212 VanDerWaalsContact O-CD2 3.31Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.43Å; Q208-Y212 PolarHBondContact O-N 3.48Å; V209-Y212 PolarHBondContact O-N 3.1Å; Y212-Y215 PolarHBondContact O-N 2.92Å; Y212-A216 WeakPolarHBondContact O-CB 3.49Å; Y212-A216 PolarHBondContact O-N 3.27Å
213	L	97.1	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-45.6	-175.7	-178.4	60.3	0	0	0	111.8	V186 M189 E190 L193 V209 Y215 A216 V217 L229	V186-L213 HydrophobicContact CB-CD1 4.15Å; V186-L213 HydrophobicContact CG1-CD1 3.96Å; V186-L213 HydrophobicContact CG2-CD1 4.06Å; M189-L213 HydrophobicContact CB-CB 3.97Å; M189-L213 HydrophobicContact CB-CD1 3.98Å; M189-L213 HydrophobicContact CB-CG 4.38Å; E190-L213 HydrophobicContact CG-CD1 4.22Å; E190-L213 HydrophobicContact CG-CD2 4.38Å; L193-L213 HydrophobicContact CD1-CD2 3.6Å; V209-L213 VanDerWaalsContact O-CB 3.29Å; V209-L213 WeakPolarHBondContact O-CB 3.46Å; V209-L213 PolarHBondContact O-N 3.38Å; L213-Y215 VanDerWaalsContact C-N 3.32Å; L213-Y215 PolarHBondContact O-N 3.46Å; L213-A216 PolarHBondContact O-N 2.95Å; L213-V217 HydrophobicContact CD1-CG2 3.96Å; L213-V217 HydrophobicContact CG-CG2 4.35Å; L213-V217 WeakPolarHBondContact O-CB 3.48Å; L213-V217 VanDerWaalsContact O-CG2 3.25Å; L213-V217 WeakPolarHBondContact O-CG2 3.42Å; L213-V217 PolarHBondContact O-N 3.28Å; L213-L229 HydrophobicContact CD2-CD1 4.15Å; L213-L229 HydrophobicContact CD2-CD2 3.96Å; L213-L229 HydrophobicContact CG-CD1 3.85Å
214	S	96.3	Very high	94.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-39.9	-179.7	62.8	0	0	0	0	112.4	L210 D211 F218 A226	L210-S214 WeakPolarHBondContact O-CB 3.25Å; L210-S214 PolarHBondContact O-N 2.99Å; L210-S214 PolarHBondContact O-OG 3.09Å; D211-S214 PolarHBondContact O-OG 3.22Å; D211-S214 VanDerWaalsContact O-OG 3.14Å; S214-F218 WeakPolarHBondContact O-CB 3.35Å; S214-F218 PolarHBondContact O-N 3.3Å; S214-F218 VanDerWaalsContact O-N 3.13Å; S214-A226 WeakPolarHBondContact O-CB 3.39Å
215	Y	95.9	Very high	94.7	Very high	71 Å²	71	38.2 Å²	38.2	28%	0.278	20%	0.197	S	C	.	.	H	α-helix	trans	-70.1	-44.8	176.1	-175.9	-93.1	0	0	0	112.2	Y177 Y182 D211 Y212 L213 V217 F218 Q219	Y177-Y215 AromaticContact CE2-CD1 3.43Å; Y177-Y215 HydrophobicContact CE2-CD1 3.43Å; Y177-Y215 VanDerWaalsContact CE2-CD1 3.43Å; Y177-Y215 HydrophobicContact CE2-CE1 4.08Å; Y177-Y215 HydrophobicContact CE2-CG 4.21Å; Y177-Y215 AromaticContact CZ-CD1 3.78Å; Y177-Y215 WeakPolarHBondContact OH-CD1 3.43Å; Y182-Y215 HydrophobicContact CE1-CD1 4.09Å; Y182-Y215 AromaticContact CE1-CE1 3.85Å; Y182-Y215 HydrophobicContact CE1-CE1 3.85Å; Y182-Y215 AromaticContact CZ-CE1 3.98Å; D211-Y215 PolarHBondContact O-N 3.48Å; Y212-Y215 PolarHBondContact O-N 2.92Å; L213-Y215 VanDerWaalsContact C-N 3.32Å; L213-Y215 PolarHBondContact O-N 3.46Å; Y215-V217 VanDerWaalsContact C-N 3.34Å; Y215-V217 PolarHBondContact O-N 2.69Å; Y215-F218 WeakPolarHBondContact O-CB 3.16Å; Y215-F218 PolarHBondContact O-N 2.78Å; Y215-Q219 HydrophobicContact CD1-CG 3.8Å; Y215-Q219 HydrophobicContact CE1-CG 3.49Å; Y215-Q219 VanDerWaalsContact CE1-CG 3.49Å; Y215-Q219 VanDerWaalsContact CZ-NE2 3.29Å; Y215-Q219 WeakPolarHBondContact O-CG 3.44Å; Y215-Q219 PolarHBondContact O-N 3.46Å; Y215-Q219 PolarHBondContact OH-NE2 3.36Å
216	A	96	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-43	179.6	0	0	0	0	0	111.7	Y182 T185 V186 Y212 L213 F218 Q219 L220	Y182-A216 HydrophobicContact CD1-CB 4.03Å; Y182-A216 HydrophobicContact CG-CB 4.49Å; T185-A216 HydrophobicContact CG2-CB 3.71Å; V186-A216 HydrophobicContact CG2-CB 3.79Å; Y212-A216 WeakPolarHBondContact O-CB 3.49Å; Y212-A216 PolarHBondContact O-N 3.27Å; L213-A216 PolarHBondContact O-N 2.95Å; A216-F218 VanDerWaalsContact C-N 3.34Å; A216-F218 PolarHBondContact O-N 3.49Å; A216-Q219 PolarHBondContact O-N 3.06Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.13Å; A216-L220 VanDerWaalsContact O-N 3.13Å
217	V	94.8	Very high	94.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-42.7	174.3	168	0	0	0	0	111.5	V186 L213 Y215 Q219 L220 G221 D222 R225 A226 L229	V186-V217 HydrophobicContact CG1-CG2 4.38Å; V186-V217 HydrophobicContact CG2-CG2 3.74Å; L213-V217 HydrophobicContact CD1-CG2 3.96Å; L213-V217 HydrophobicContact CG-CG2 4.35Å; L213-V217 WeakPolarHBondContact O-CB 3.48Å; L213-V217 VanDerWaalsContact O-CG2 3.25Å; L213-V217 WeakPolarHBondContact O-CG2 3.42Å; L213-V217 PolarHBondContact O-N 3.28Å; Y215-V217 VanDerWaalsContact C-N 3.34Å; Y215-V217 PolarHBondContact O-N 2.69Å; V217-Q219 PolarHBondContact O-N 3.01Å; V217-L220 PolarHBondContact O-N 3.2Å; V217-G221 PolarHBondContact O-N 3.32Å; V217-D222 HydrophobicContact CG1-CB 3.82Å; V217-D222 WeakPolarHBondContact CG1-O 3.38Å; V217-D222 PolarHBondContact O-N 3.11Å; V217-R225 HydrophobicContact CG1-CB 3.78Å; V217-R225 HydrophobicContact CG1-CG 4.1Å; V217-A226 HydrophobicContact CG1-CB 4.11Å; V217-L229 HydrophobicContact CB-CD1 4.23Å; V217-L229 HydrophobicContact CG1-CD1 4.38Å; V217-L229 HydrophobicContact CG2-CD1 3.85Å
218	F	93.7	Very high	94.4	Very high	44 Å²	44	37.5 Å²	37.5	19%	0.193	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-42.8	174.4	170.1	-107.9	0	0	0	112.4	S214 Y215 A216 L220 G221 L223 A226 Y249 F250 L253	S214-F218 WeakPolarHBondContact O-CB 3.35Å; S214-F218 PolarHBondContact O-N 3.3Å; S214-F218 VanDerWaalsContact O-N 3.13Å; Y215-F218 WeakPolarHBondContact O-CB 3.16Å; Y215-F218 PolarHBondContact O-N 2.78Å; A216-F218 VanDerWaalsContact C-N 3.34Å; A216-F218 PolarHBondContact O-N 3.49Å; F218-L220 PolarHBondContact O-N 2.91Å; F218-G221 PolarHBondContact O-N 3.16Å; F218-L223 HydrophobicContact CD2-CD1 3.98Å; F218-L223 HydrophobicContact CE2-CD1 4.08Å; F218-A226 HydrophobicContact CB-CB 3.71Å; F218-Y249 HydrophobicContact CE1-CE1 4.35Å; F218-Y249 HydrophobicContact CE2-CE1 4.49Å; F218-Y249 AromaticContact CZ-CE1 3.81Å; F218-Y249 HydrophobicContact CZ-CE1 3.81Å; F218-F250 HydrophobicContact CB-CE1 3.98Å; F218-F250 HydrophobicContact CB-CZ 3.78Å; F218-F250 AromaticContact CD1-CE1 3.75Å; F218-F250 HydrophobicContact CD1-CE1 3.75Å; F218-F250 HydrophobicContact CD1-CZ 4.14Å; F218-F250 AromaticContact CD2-CD1 3.78Å; F218-F250 HydrophobicContact CD2-CD1 3.78Å; F218-F250 AromaticContact CD2-CE1 3.35Å; F218-F250 HydrophobicContact CD2-CE1 3.35Å; F218-F250 HydrophobicContact CD2-CZ 4.04Å; F218-F250 HydrophobicContact CE1-CE1 4.05Å; F218-F250 AromaticContact CE2-CD1 3.91Å; F218-F250 HydrophobicContact CE2-CD1 3.91Å; F218-F250 AromaticContact CE2-CE1 3.68Å; F218-F250 HydrophobicContact CE2-CE1 3.68Å; F218-F250 HydrophobicContact CG-CD1 4.27Å; F218-F250 AromaticContact CG-CE1 3.38Å; F218-F250 HydrophobicContact CG-CE1 3.38Å; F218-F250 AromaticContact CG-CZ 3.71Å; F218-F250 HydrophobicContact CG-CZ 3.71Å; F218-F250 HydrophobicContact CZ-CE1 4.02Å; F218-L253 HydrophobicContact CE2-CD1 3.66Å; F218-L253 HydrophobicContact CZ-CD1 3.96Å
219	Q	93.3	Very high	94.4	Very high	79 Å²	79	34 Å²	34	37%	0.369	17%	0.171	S	C	.	.	H	α-helix	trans	-64.2	-25.9	177.8	-67.9	-64.6	-46.9	0	0	113	Y182 Y215 A216 V217 G221	Y182-Q219 HydrophobicContact CD1-CB 4.24Å; Y182-Q219 HydrophobicContact CD1-CG 4.25Å; Y182-Q219 HydrophobicContact CD2-CB 3.38Å; Y182-Q219 HydrophobicContact CD2-CG 3.88Å; Y182-Q219 HydrophobicContact CE1-CB 4.46Å; Y182-Q219 HydrophobicContact CE1-CG 4.03Å; Y182-Q219 HydrophobicContact CE2-CB 3.63Å; Y182-Q219 HydrophobicContact CE2-CG 3.61Å; Y182-Q219 HydrophobicContact CG-CB 3.71Å; Y182-Q219 HydrophobicContact CG-CG 4.18Å; Y215-Q219 HydrophobicContact CD1-CG 3.8Å; Y215-Q219 HydrophobicContact CE1-CG 3.49Å; Y215-Q219 VanDerWaalsContact CE1-CG 3.49Å; Y215-Q219 VanDerWaalsContact CZ-NE2 3.29Å; Y215-Q219 WeakPolarHBondContact O-CG 3.44Å; Y215-Q219 PolarHBondContact O-N 3.46Å; Y215-Q219 PolarHBondContact OH-NE2 3.36Å; A216-Q219 PolarHBondContact O-N 3.06Å; V217-Q219 PolarHBondContact O-N 3.01Å; Q219-G221 VanDerWaalsContact C-N 3.25Å
220	L	91	Very high	94.3	Very high	46 Å²	46	34 Å²	34	24%	0.241	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.1	173.2	-64.1	175.2	0	0	0	113.4	V186 A216 V217 F218 Y277	V186-L220 HydrophobicContact CG2-CD1 3.82Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.13Å; A216-L220 VanDerWaalsContact O-N 3.13Å; V217-L220 PolarHBondContact O-N 3.2Å; F218-L220 PolarHBondContact O-N 2.91Å; L220-Y277 HydrophobicContact CB-CD1 3.75Å; L220-Y277 HydrophobicContact CB-CE1 4.06Å; L220-Y277 HydrophobicContact CD1-CD1 3.59Å; L220-Y277 HydrophobicContact CD1-CD2 4.19Å; L220-Y277 HydrophobicContact CD1-CE1 4.18Å; L220-Y277 HydrophobicContact CD1-CG 3.62Å; L220-Y277 HydrophobicContact CG-CD1 4.3Å
221	G	89.6	Confident	94.3	Very high	61 Å²	61	40.1 Å²	40.1	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	3.8	174.8	0	0	0	0	0	115.3	V217 F218 Q219 L223	V217-G221 PolarHBondContact O-N 3.32Å; F218-G221 PolarHBondContact O-N 3.16Å; Q219-G221 VanDerWaalsContact C-N 3.25Å; G221-L223 PolarHBondContact O-N 3.06Å
222	D	90.7	Very high	94.2	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	21%	0.208	C	C	.	.			trans	-92.1	76.5	-179.9	-177.6	-3.4	0	0	0	110.9	V217 H224 R225 A226 Y277	V217-D222 HydrophobicContact CG1-CB 3.82Å; V217-D222 WeakPolarHBondContact CG1-O 3.38Å; V217-D222 PolarHBondContact O-N 3.11Å; D222-H224 VanDerWaalsContact C-N 3.32Å; D222-H224 PolarHBondContact O-N 3.44Å; D222-R225 WeakPolarHBondContact OD1-CB 3.33Å; D222-R225 PolarHBondContact OD1-N 2.85Å; D222-R225 WeakPolarHBondContact OD2-CB 3.42Å; D222-R225 WeakPolarHBondContact OD2-CD 3.38Å; D222-A226 WeakPolarHBondContact O-CB 3.45Å; D222-A226 PolarHBondContact O-N 3.35Å; D222-Y277 HydrophobicContact CB-CE1 3.81Å; D222-Y277 PolarHBondContact OD2-OH 2.96Å
223	L	91.3	Very high	94.2	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-38.9	-177	-178.4	61.9	0	0	0	112.5	F218 G221 A226 L227 F250 L253 L254	F218-L223 HydrophobicContact CD2-CD1 3.98Å; F218-L223 HydrophobicContact CE2-CD1 4.08Å; G221-L223 PolarHBondContact O-N 3.06Å; L223-A226 PolarHBondContact O-N 3.13Å; L223-L227 WeakPolarHBondContact O-CB 3.45Å; L223-L227 PolarHBondContact O-N 3.32Å; L223-F250 HydrophobicContact CD1-CB 3.76Å; L223-F250 HydrophobicContact CD1-CD1 3.87Å; L223-F250 HydrophobicContact CD1-CG 3.97Å; L223-L253 HydrophobicContact CD1-CB 4.33Å; L223-L253 HydrophobicContact CD1-CD1 4.28Å; L223-L253 HydrophobicContact CD2-CB 3.74Å; L223-L254 HydrophobicContact CD2-CB 3.95Å; L223-L254 HydrophobicContact CD2-CD1 4.48Å
224	H	90.4	Very high	94.2	Very high	114 Å²	114	43.2 Å²	43.2	53%	0.528	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-49	-178.3	-77.7	-77.9	0	0	0	111.7	D222 L227 E228	D222-H224 VanDerWaalsContact C-N 3.32Å; D222-H224 PolarHBondContact O-N 3.44Å; H224-L227 WeakPolarHBondContact O-CB 3.48Å; H224-L227 PolarHBondContact O-N 3.37Å; H224-E228 PolarHBondContact O-N 3.46Å; H224-E228 VanDerWaalsContact O-N 3.11Å
225	R	92.3	Very high	94.2	Very high	50 Å²	50	47.3 Å²	47.3	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-71.5	-36.8	179.3	-167.7	-172	-176.9	-153.6	-3.1	111.9	E190 V217 D222 L227 E228 L229 Y277	E190-R225 IonicContact OE1-CZ 2.99Å; E190-R225 IonicContact OE1-NH1 3.66Å; E190-R225 PolarHBondContact OE1-NH1 3.41Å; E190-R225 IonicContact OE1-NH2 2.77Å; E190-R225 PolarHBondContact OE1-NH2 2.61Å; V217-R225 HydrophobicContact CG1-CB 3.78Å; V217-R225 HydrophobicContact CG1-CG 4.1Å; D222-R225 WeakPolarHBondContact OD1-CB 3.33Å; D222-R225 PolarHBondContact OD1-N 2.85Å; D222-R225 WeakPolarHBondContact OD2-CB 3.42Å; D222-R225 WeakPolarHBondContact OD2-CD 3.38Å; R225-L227 VanDerWaalsContact C-N 3.26Å; R225-L227 PolarHBondContact O-N 2.91Å; R225-E228 PolarHBondContact O-N 2.65Å; R225-L229 HydrophobicContact CG-CD1 4.06Å; R225-L229 HydrophobicContact CG-CG 4.34Å; R225-L229 WeakPolarHBondContact O-CB 3.07Å; R225-L229 VanDerWaalsContact O-CG 3.23Å; R225-L229 WeakPolarHBondContact O-CG 3.45Å; R225-L229 PolarHBondContact O-N 2.84Å; R225-Y277 WeakPolarHBondContact CD-OH 3.47Å; R225-Y277 PolarHBondContact NH1-OH 3.24Å
226	A	94.2	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.2	-41.9	173.6	0	0	0	0	0	111.8	S214 V217 F218 D222 L223 T230 F250	S214-A226 WeakPolarHBondContact O-CB 3.39Å; V217-A226 HydrophobicContact CG1-CB 4.11Å; F218-A226 HydrophobicContact CB-CB 3.71Å; D222-A226 WeakPolarHBondContact O-CB 3.45Å; D222-A226 PolarHBondContact O-N 3.35Å; L223-A226 PolarHBondContact O-N 3.13Å; A226-T230 WeakPolarHBondContact O-CB 3.4Å; A226-T230 PolarHBondContact O-N 3.24Å; A226-T230 PolarHBondContact O-OG1 3.02Å; A226-F250 HydrophobicContact CB-CD2 4.35Å; A226-F250 HydrophobicContact CB-CE2 4.06Å; A226-F250 HydrophobicContact CB-CZ 4.44Å
227	L	94.1	Very high	94.2	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-45.1	176.2	-172.9	73.4	0	0	0	112.2	L223 H224 R225 T230 R231 L247 F250 E251 L254	L223-L227 WeakPolarHBondContact O-CB 3.45Å; L223-L227 PolarHBondContact O-N 3.32Å; H224-L227 WeakPolarHBondContact O-CB 3.48Å; H224-L227 PolarHBondContact O-N 3.37Å; R225-L227 VanDerWaalsContact C-N 3.26Å; R225-L227 PolarHBondContact O-N 2.91Å; L227-T230 PolarHBondContact O-N 3.33Å; L227-R231 WeakPolarHBondContact O-CG 3.25Å; L227-R231 PolarHBondContact O-N 3.38Å; L227-L247 HydrophobicContact CD1-CD1 3.56Å; L227-L247 HydrophobicContact CG-CD1 4.46Å; L227-F250 HydrophobicContact CD1-CB 3.73Å; L227-E251 HydrophobicContact CD1-CG 3.63Å; L227-E251 HydrophobicContact CD2-CG 4.44Å; L227-L254 HydrophobicContact CD2-CD1 4.14Å
228	E	94.5	Very high	94.2	Very high	133 Å²	133	55.5 Å²	55.5	62%	0.621	29%	0.29	S	S	*	.	H	α-helix	trans	-59.2	-49.4	176.2	-173.3	-170.1	166.6	0	0	111.6	H224 R225 T230 R231 R232	H224-E228 PolarHBondContact O-N 3.46Å; H224-E228 VanDerWaalsContact O-N 3.11Å; R225-E228 PolarHBondContact O-N 2.65Å; E228-T230 VanDerWaalsContact C-N 3.29Å; E228-T230 PolarHBondContact O-N 3.18Å; E228-R231 WeakPolarHBondContact O-CB 3.48Å; E228-R231 PolarHBondContact O-N 3.02Å; E228-R231 VanDerWaalsContact O-N 3.16Å; E228-R232 PolarHBondContact O-N 3.33Å
229	L	96.1	Very high	94.2	Very high	13 Å²	13	58 Å²	58	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-39.6	178.5	-68.7	167.8	0	0	0	111.6	L210 L213 V217 R225 R232 L233	L210-L229 HydrophobicContact CD2-CD2 3.74Å; L213-L229 HydrophobicContact CD2-CD1 4.15Å; L213-L229 HydrophobicContact CD2-CD2 3.96Å; L213-L229 HydrophobicContact CG-CD1 3.85Å; V217-L229 HydrophobicContact CB-CD1 4.23Å; V217-L229 HydrophobicContact CG1-CD1 4.38Å; V217-L229 HydrophobicContact CG2-CD1 3.85Å; R225-L229 HydrophobicContact CG-CD1 4.06Å; R225-L229 HydrophobicContact CG-CG 4.34Å; R225-L229 WeakPolarHBondContact O-CB 3.07Å; R225-L229 VanDerWaalsContact O-CG 3.23Å; R225-L229 WeakPolarHBondContact O-CG 3.45Å; R225-L229 PolarHBondContact O-N 2.84Å; L229-R232 PolarHBondContact O-N 3.24Å; L229-L233 PolarHBondContact O-N 2.9Å
230	T	96.9	Very high	94.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-39.9	176	-55.7	0	0	0	0	111.7	A226 L227 E228 L233 L234 A243 N246 L247 F250	A226-T230 WeakPolarHBondContact O-CB 3.4Å; A226-T230 PolarHBondContact O-N 3.24Å; A226-T230 PolarHBondContact O-OG1 3.02Å; L227-T230 PolarHBondContact O-N 3.33Å; E228-T230 VanDerWaalsContact C-N 3.29Å; E228-T230 PolarHBondContact O-N 3.18Å; T230-L233 WeakPolarHBondContact O-CB 3.19Å; T230-L233 PolarHBondContact O-N 3.15Å; T230-L234 HydrophobicContact CG2-CD1 4.41Å; T230-L234 PolarHBondContact O-N 3.47Å; T230-A243 HydrophobicContact CG2-CB 4.18Å; T230-A243 WeakPolarHBondContact CG2-O 3.4Å; T230-N246 HydrophobicContact CG2-CB 4.4Å; T230-L247 HydrophobicContact CG2-CB 3.89Å; T230-L247 HydrophobicContact CG2-CD1 4.29Å; T230-F250 WeakPolarHBondContact OG1-CE2 3.37Å
231	R	96.6	Very high	94.2	Very high	129 Å²	129	62.6 Å²	62.6	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-41.4	173.7	-72.5	174.9	177.3	152.5	0.9	111.6	L227 E228 L233 L234 S235 L247 E251	L227-R231 WeakPolarHBondContact O-CG 3.25Å; L227-R231 PolarHBondContact O-N 3.38Å; E228-R231 WeakPolarHBondContact O-CB 3.48Å; E228-R231 PolarHBondContact O-N 3.02Å; E228-R231 VanDerWaalsContact O-N 3.16Å; R231-L233 VanDerWaalsContact C-N 3.32Å; R231-L233 PolarHBondContact O-N 3.29Å; R231-L234 PolarHBondContact O-N 3.01Å; R231-S235 PolarHBondContact O-N 3.5Å; R231-L247 HydrophobicContact CG-CD1 3.66Å; R231-E251 IonicContact CZ-OE1 3.92Å; R231-E251 IonicContact NE-OE1 3.46Å; R231-E251 IonicContact NH2-OE1 3.75Å; R231-E251 PolarHBondContact NH2-OE1 2.6Å
232	R	96.6	Very high	94.3	Very high	97 Å²	97	66.5 Å²	66.5	37%	0.366	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.1	-171.1	179.3	177.3	-171.1	-1	111	D197 L210 E228 L229 S235 L236	D197-R232 IonicContact OD2-NH2 2.86Å; L210-R232 HydrophobicContact CD1-CB 4.24Å; L210-R232 HydrophobicContact CD1-CG 3.88Å; E228-R232 PolarHBondContact O-N 3.33Å; L229-R232 PolarHBondContact O-N 3.24Å; R232-S235 PolarHBondContact O-N 3.19Å; R232-S235 PolarHBondContact O-OG 3.05Å; R232-L236 PolarHBondContact O-N 3.38Å
233	L	97.3	Very high	94.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-52.2	175	-173.3	168	0	0	0	111	L210 D211 L229 T230 R231 S235 L236 D237 H240 A243	L210-L233 HydrophobicContact CB-CB 3.92Å; L210-L233 HydrophobicContact CB-CD1 4.12Å; L210-L233 HydrophobicContact CB-CG 4.18Å; L210-L233 HydrophobicContact CD1-CB 4.28Å; D211-L233 HydrophobicContact CB-CD1 3.86Å; L229-L233 PolarHBondContact O-N 2.9Å; T230-L233 WeakPolarHBondContact O-CB 3.19Å; T230-L233 PolarHBondContact O-N 3.15Å; R231-L233 VanDerWaalsContact C-N 3.32Å; R231-L233 PolarHBondContact O-N 3.29Å; L233-S235 PolarHBondContact O-N 2.88Å; L233-L236 WeakPolarHBondContact O-CB 3.25Å; L233-L236 PolarHBondContact O-N 2.94Å; L233-D237 PolarHBondContact O-N 3.41Å; L233-H240 HydrophobicContact CD2-CB 3.62Å; L233-A243 HydrophobicContact CD1-CB 3.93Å; L233-A243 HydrophobicContact CD2-CB 3.4Å; L233-A243 HydrophobicContact CG-CB 4.2Å
234	L	96.6	Very high	94.5	Very high	34 Å²	34	66.1 Å²	66.1	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-23	-179.4	-72.1	168.9	0	0	0	113.6	T230 R231 L236 D237 P238 A243 L247	T230-L234 HydrophobicContact CG2-CD1 4.41Å; T230-L234 PolarHBondContact O-N 3.47Å; R231-L234 PolarHBondContact O-N 3.01Å; L234-L236 VanDerWaalsContact C-N 3.3Å; L234-D237 CarbonylContact O-C 3.59Å; L234-P238 VanDerWaalsContact O-CA 3.29Å; L234-P238 WeakPolarHBondContact O-CA 3.31Å; L234-P238 WeakPolarHBondContact O-CD 3.39Å; L234-P238 WeakPolarHBondContact O-CG 3.4Å; L234-A243 HydrophobicContact CD1-CB 4.49Å; L234-A243 HydrophobicContact CD2-CB 3.82Å; L234-A243 HydrophobicContact CG-CB 3.92Å; L234-L247 HydrophobicContact CD1-CB 4.1Å; L234-L247 HydrophobicContact CD1-CD2 3.69Å; L234-L247 HydrophobicContact CD1-CG 4.39Å
235	S	96.8	Very high	94.5	Very high	87 Å²	87	62.3 Å²	62.3	61%	0.608	32%	0.322	S	S	*	.	H	α-helix	trans	-70.2	-27.9	171.4	79	0	0	0	0	112.9	R231 R232 L233	R231-S235 PolarHBondContact O-N 3.5Å; R232-S235 PolarHBondContact O-N 3.19Å; R232-S235 PolarHBondContact O-OG 3.05Å; L233-S235 PolarHBondContact O-N 2.88Å
236	L	95.4	Very high	94.6	Very high	92 Å²	92	61.5 Å²	61.5	48%	0.482	32%	0.321	S	S	.	.	H	α-helix	trans	-89.4	-39.5	177.5	-63	176	0	0	0	111.8	K206 L210 R232 L233 L234	K206-L236 HydrophobicContact CB-CD1 3.84Å; L210-L236 HydrophobicContact CD1-CD1 3.84Å; R232-L236 PolarHBondContact O-N 3.38Å; L233-L236 WeakPolarHBondContact O-CB 3.25Å; L233-L236 PolarHBondContact O-N 2.94Å; L234-L236 VanDerWaalsContact C-N 3.3Å
237	D	95.7	Very high	94.6	Very high	43 Å²	43	63 Å²	63	23%	0.23	33%	0.329	C	S	.	.			trans	-134.8	88.1	177.2	-178	4	0	0	0	110.7	L233 L234 S239 H240	L233-D237 PolarHBondContact O-N 3.41Å; L234-D237 CarbonylContact O-C 3.59Å; D237-S239 PolarHBondContact O-N 3.24Å; D237-S239 VanDerWaalsContact O-N 3.14Å; D237-S239 PolarHBondContact OD1-N 2.97Å; D237-S239 PolarHBondContact OD1-OG 3.25Å; D237-H240 HydrophobicContact CB-CB 4.25Å; D237-H240 WeakPolarHBondContact O-CB 3.35Å; D237-H240 PolarHBondContact O-N 3.36Å; D237-H240 PolarHBondContact OD1-N 3.34Å; D237-H240 IonicContact OD2-CD2 3.64Å; D237-H240 IonicContact OD2-CG 3.77Å
238	P	94.9	Very high	94.5	Very high	108 Å²	108	71.3 Å²	71.3	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17	178.2	-22.7	33.1	0	0	0	114.1	L234	L234-P238 VanDerWaalsContact O-CA 3.29Å; L234-P238 WeakPolarHBondContact O-CA 3.31Å; L234-P238 WeakPolarHBondContact O-CD 3.39Å; L234-P238 WeakPolarHBondContact O-CG 3.4Å
239	S	93.8	Very high	94.5	Very high	96 Å²	96	70.7 Å²	70.7	67%	0.671	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.8	-178.3	63.9	0	0	0	0	113.8	D237 E241	D237-S239 PolarHBondContact O-N 3.24Å; D237-S239 VanDerWaalsContact O-N 3.14Å; D237-S239 PolarHBondContact OD1-N 2.97Å; D237-S239 PolarHBondContact OD1-OG 3.25Å; S239-E241 PolarHBondContact O-N 3.5Å
240	H	93.9	Very high	94.4	Very high	40 Å²	40	70.1 Å²	70.1	19%	0.185	35%	0.35	C	S	.	.			trans	-69.9	99.1	-176.1	-159.3	-76.4	0	0	0	112.2	D211 L233 D237 R242 A243 G244	D211-H240 IonicContact OD1-CE1 2.77Å; D211-H240 IonicContact OD2-CE1 3.01Å; L233-H240 HydrophobicContact CD2-CB 3.62Å; D237-H240 HydrophobicContact CB-CB 4.25Å; D237-H240 WeakPolarHBondContact O-CB 3.35Å; D237-H240 PolarHBondContact O-N 3.36Å; D237-H240 PolarHBondContact OD1-N 3.34Å; D237-H240 IonicContact OD2-CD2 3.64Å; D237-H240 IonicContact OD2-CG 3.77Å; H240-R242 VanDerWaalsContact C-N 3.35Å; H240-R242 PolarHBondContact O-N 3.17Å; H240-A243 HydrophobicContact CB-CB 4.1Å; H240-A243 PolarHBondContact ND1-N 3.12Å; H240-A243 PolarHBondContact O-N 3.07Å; H240-A243 VanDerWaalsContact O-N 3.14Å; H240-G244 PolarHBondContact O-N 3.36Å; H240-G244 VanDerWaalsContact O-N 3.14Å
241	E	90.3	Very high	94.2	Very high	181 Å²	181	74 Å²	74	85%	0.846	37%	0.368	S	S	*	.	H	α-helix	trans	-53.6	-47	-172.4	-64.5	-172.4	163.4	0	0	113.3	S239 A243 G244 G245	S239-E241 PolarHBondContact O-N 3.5Å; E241-A243 PolarHBondContact O-N 3.17Å; E241-G244 PolarHBondContact O-N 3.15Å; E241-G245 PolarHBondContact O-N 3.13Å
242	R	93	Very high	94.1	Very high	144 Å²	144	73.2 Å²	73.2	54%	0.543	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-40	-178.3	-172.1	-175.8	-62.4	164.8	-2.9	112.4	D211 H240 G245 N246	D211-R242 WeakPolarHBondContact OD1-CD 3.5Å; D211-R242 IonicContact OD2-CZ 3.8Å; D211-R242 IonicContact OD2-NH1 2.86Å; D211-R242 PolarHBondContact OD2-NH1 3.01Å; H240-R242 VanDerWaalsContact C-N 3.35Å; H240-R242 PolarHBondContact O-N 3.17Å; R242-G245 PolarHBondContact O-N 3.38Å; R242-N246 WeakPolarHBondContact O-CB 3.36Å; R242-N246 VanDerWaalsContact O-CG 3.31Å; R242-N246 PolarHBondContact O-N 3.06Å; R242-N246 PolarHBondContact O-OD1 3.33Å
243	A	93.4	Very high	93.8	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-72.2	-36.9	-176.6	0	0	0	0	0	110.7	T230 L233 L234 H240 E241 G245 N246 L247	T230-A243 HydrophobicContact CG2-CB 4.18Å; T230-A243 WeakPolarHBondContact CG2-O 3.4Å; L233-A243 HydrophobicContact CD1-CB 3.93Å; L233-A243 HydrophobicContact CD2-CB 3.4Å; L233-A243 HydrophobicContact CG-CB 4.2Å; L234-A243 HydrophobicContact CD1-CB 4.49Å; L234-A243 HydrophobicContact CD2-CB 3.82Å; L234-A243 HydrophobicContact CG-CB 3.92Å; H240-A243 HydrophobicContact CB-CB 4.1Å; H240-A243 PolarHBondContact ND1-N 3.12Å; H240-A243 PolarHBondContact O-N 3.07Å; H240-A243 VanDerWaalsContact O-N 3.14Å; E241-A243 PolarHBondContact O-N 3.17Å; A243-G245 VanDerWaalsContact C-N 3.27Å; A243-G245 PolarHBondContact O-N 3Å; A243-N246 PolarHBondContact O-N 3.38Å; A243-L247 VanDerWaalsContact O-CB 3.32Å; A243-L247 WeakPolarHBondContact O-CB 3.04Å; A243-L247 PolarHBondContact O-N 2.99Å
244	G	90.9	Very high	93.4	Very high	17 Å²	17	71.2 Å²	71.2	18%	0.175	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-29	173.4	0	0	0	0	0	113.6	H240 E241 R248	H240-G244 PolarHBondContact O-N 3.36Å; H240-G244 VanDerWaalsContact O-N 3.14Å; E241-G244 PolarHBondContact O-N 3.15Å; G244-R248 PolarHBondContact O-NE 3.49Å
245	G	91.9	Very high	93	Very high	35 Å²	35	74.6 Å²	74.6	36%	0.361	38%	0.381	S	S	.	.	H	α-helix	trans	-73.3	-51.3	170.5	0	0	0	0	0	112.3	E241 R242 A243 L247 R248 Y249	E241-G245 PolarHBondContact O-N 3.13Å; R242-G245 PolarHBondContact O-N 3.38Å; A243-G245 VanDerWaalsContact C-N 3.27Å; A243-G245 PolarHBondContact O-N 3Å; G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 2.88Å; G245-R248 PolarHBondContact O-N 2.95Å; G245-Y249 PolarHBondContact O-N 3.35Å; G245-Y249 VanDerWaalsContact O-N 3.13Å
246	N	93.3	Very high	92.6	Very high	32 Å²	32	73.9 Å²	73.9	17%	0.171	37%	0.368	C	S	.	.	H	α-helix	trans	-57.8	-41.9	178.5	-72.4	-4.6	0	0	0	111.9	T230 R242 A243 R248 Y249 F250	T230-N246 HydrophobicContact CG2-CB 4.4Å; R242-N246 WeakPolarHBondContact O-CB 3.36Å; R242-N246 VanDerWaalsContact O-CG 3.31Å; R242-N246 PolarHBondContact O-N 3.06Å; R242-N246 PolarHBondContact O-OD1 3.33Å; A243-N246 PolarHBondContact O-N 3.38Å; N246-R248 PolarHBondContact O-N 2.95Å; N246-Y249 PolarHBondContact O-N 3.42Å; N246-F250 HydrophobicContact CB-CD2 4.34Å; N246-F250 HydrophobicContact CB-CE2 3.85Å; N246-F250 HydrophobicContact CB-CZ 4.07Å; N246-F250 WeakPolarHBondContact O-CB 3.41Å; N246-F250 WeakPolarHBondContact O-CD2 3.39Å; N246-F250 WeakPolarHBondContact O-CG 3.38Å; N246-F250 PolarHBondContact O-N 3.07Å
247	L	94	Very high	92.1	Very high	31 Å²	31	73.5 Å²	73.5	16%	0.162	36%	0.364	C	S	.	.	H	α-helix	trans	-56.4	-51.5	178.5	-177	72.5	0	0	0	111.5	L227 T230 R231 L234 A243 G245 Y249 F250 E251	L227-L247 HydrophobicContact CD1-CD1 3.56Å; L227-L247 HydrophobicContact CG-CD1 4.46Å; T230-L247 HydrophobicContact CG2-CB 3.89Å; T230-L247 HydrophobicContact CG2-CD1 4.29Å; R231-L247 HydrophobicContact CG-CD1 3.66Å; L234-L247 HydrophobicContact CD1-CB 4.1Å; L234-L247 HydrophobicContact CD1-CD2 3.69Å; L234-L247 HydrophobicContact CD1-CG 4.39Å; A243-L247 VanDerWaalsContact O-CB 3.32Å; A243-L247 WeakPolarHBondContact O-CB 3.04Å; A243-L247 PolarHBondContact O-N 2.99Å; G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 2.88Å; L247-Y249 VanDerWaalsContact C-N 3.28Å; L247-Y249 PolarHBondContact O-N 3.38Å; L247-F250 PolarHBondContact O-N 3.45Å; L247-E251 WeakPolarHBondContact O-CB 3.01Å; L247-E251 VanDerWaalsContact O-CG 3.32Å; L247-E251 WeakPolarHBondContact O-CG 3.46Å; L247-E251 PolarHBondContact O-N 3.32Å
248	R	93.4	Very high	91.5	Very high	185 Å²	185	78.3 Å²	78.3	70%	0.698	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-40.1	179.6	-75.2	179.6	-103.1	176.8	-11.1	111.7	G244 G245 N246 Q252	G244-R248 PolarHBondContact O-NE 3.49Å; G245-R248 PolarHBondContact O-N 2.95Å; N246-R248 PolarHBondContact O-N 2.95Å; R248-Q252 PolarHBondContact O-N 2.86Å; R248-Q252 VanDerWaalsContact O-N 3.1Å
249	Y	93.8	Very high	91	Very high	119 Å²	119	78.9 Å²	78.9	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-46.3	178.1	180	-114	0	0	0	112.1	F218 G245 N246 L247 Q252 L253	F218-Y249 HydrophobicContact CE1-CE1 4.35Å; F218-Y249 HydrophobicContact CE2-CE1 4.49Å; F218-Y249 AromaticContact CZ-CE1 3.81Å; F218-Y249 HydrophobicContact CZ-CE1 3.81Å; G245-Y249 PolarHBondContact O-N 3.35Å; G245-Y249 VanDerWaalsContact O-N 3.13Å; N246-Y249 PolarHBondContact O-N 3.42Å; L247-Y249 VanDerWaalsContact C-N 3.28Å; L247-Y249 PolarHBondContact O-N 3.38Å; Y249-Q252 WeakPolarHBondContact O-CB 3.38Å; Y249-Q252 PolarHBondContact O-N 3.2Å; Y249-L253 HydrophobicContact CD1-CD1 4.16Å; Y249-L253 HydrophobicContact CE1-CD1 3.61Å; Y249-L253 HydrophobicContact CE1-CG 4.4Å; Y249-L253 HydrophobicContact CE2-CD1 4.41Å; Y249-L253 HydrophobicContact CE2-CG 4.38Å; Y249-L253 PolarHBondContact O-N 3.05Å
250	F	94.4	Very high	90.5	Very high	2 Å²	2	80.6 Å²	80.6	1%	0.009	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-38.9	177.8	-62	-23.3	0	0	0	112.4	F218 L223 A226 L227 T230 N246 L247 Q252 L253 L254	F218-F250 HydrophobicContact CB-CE1 3.98Å; F218-F250 HydrophobicContact CB-CZ 3.78Å; F218-F250 AromaticContact CD1-CE1 3.75Å; F218-F250 HydrophobicContact CD1-CE1 3.75Å; F218-F250 HydrophobicContact CD1-CZ 4.14Å; F218-F250 AromaticContact CD2-CD1 3.78Å; F218-F250 HydrophobicContact CD2-CD1 3.78Å; F218-F250 AromaticContact CD2-CE1 3.35Å; F218-F250 HydrophobicContact CD2-CE1 3.35Å; F218-F250 HydrophobicContact CD2-CZ 4.04Å; F218-F250 HydrophobicContact CE1-CE1 4.05Å; F218-F250 AromaticContact CE2-CD1 3.91Å; F218-F250 HydrophobicContact CE2-CD1 3.91Å; F218-F250 AromaticContact CE2-CE1 3.68Å; F218-F250 HydrophobicContact CE2-CE1 3.68Å; F218-F250 HydrophobicContact CG-CD1 4.27Å; F218-F250 AromaticContact CG-CE1 3.38Å; F218-F250 HydrophobicContact CG-CE1 3.38Å; F218-F250 AromaticContact CG-CZ 3.71Å; F218-F250 HydrophobicContact CG-CZ 3.71Å; F218-F250 HydrophobicContact CZ-CE1 4.02Å; L223-F250 HydrophobicContact CD1-CB 3.76Å; L223-F250 HydrophobicContact CD1-CD1 3.87Å; L223-F250 HydrophobicContact CD1-CG 3.97Å; A226-F250 HydrophobicContact CB-CD2 4.35Å; A226-F250 HydrophobicContact CB-CE2 4.06Å; A226-F250 HydrophobicContact CB-CZ 4.44Å; L227-F250 HydrophobicContact CD1-CB 3.73Å; T230-F250 WeakPolarHBondContact OG1-CE2 3.37Å; N246-F250 HydrophobicContact CB-CD2 4.34Å; N246-F250 HydrophobicContact CB-CE2 3.85Å; N246-F250 HydrophobicContact CB-CZ 4.07Å; N246-F250 WeakPolarHBondContact O-CB 3.41Å; N246-F250 WeakPolarHBondContact O-CD2 3.39Å; N246-F250 WeakPolarHBondContact O-CG 3.38Å; N246-F250 PolarHBondContact O-N 3.07Å; L247-F250 PolarHBondContact O-N 3.45Å; F250-Q252 VanDerWaalsContact C-N 3.32Å; F250-Q252 PolarHBondContact O-N 3.33Å; F250-L253 PolarHBondContact O-N 2.92Å; F250-L254 WeakPolarHBondContact O-CB 3.45Å; F250-L254 PolarHBondContact O-N 2.99Å
251	E	92.7	Very high	89.6	Confident	80 Å²	80	85 Å²	85	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-38	174.4	-72.2	180	157	0	0	112	L227 R231 L247 L254 E255	L227-E251 HydrophobicContact CD1-CG 3.63Å; L227-E251 HydrophobicContact CD2-CG 4.44Å; R231-E251 IonicContact CZ-OE1 3.92Å; R231-E251 IonicContact NE-OE1 3.46Å; R231-E251 IonicContact NH2-OE1 3.75Å; R231-E251 PolarHBondContact NH2-OE1 2.6Å; L247-E251 WeakPolarHBondContact O-CB 3.01Å; L247-E251 VanDerWaalsContact O-CG 3.32Å; L247-E251 WeakPolarHBondContact O-CG 3.46Å; L247-E251 PolarHBondContact O-N 3.32Å; E251-L254 PolarHBondContact O-N 2.94Å; E251-E255 PolarHBondContact O-N 3.31Å; E251-E255 VanDerWaalsContact O-N 3.13Å
252	Q	93.4	Very high	89	Confident	113 Å²	113	83.7 Å²	83.7	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-48.1	174.4	-174.3	-173.7	-25.2	0	0	111.7	R248 Y249 F250 L254 E255 E256	R248-Q252 PolarHBondContact O-N 2.86Å; R248-Q252 VanDerWaalsContact O-N 3.1Å; Y249-Q252 WeakPolarHBondContact O-CB 3.38Å; Y249-Q252 PolarHBondContact O-N 3.2Å; F250-Q252 VanDerWaalsContact C-N 3.32Å; F250-Q252 PolarHBondContact O-N 3.33Å; Q252-L254 VanDerWaalsContact C-N 3.26Å; Q252-L254 PolarHBondContact O-N 3.13Å; Q252-E255 PolarHBondContact O-N 2.72Å; Q252-E256 PolarHBondContact NE2-OE1 3.39Å; Q252-E256 WeakPolarHBondContact O-CG 3.29Å; Q252-E256 PolarHBondContact O-N 3.42Å
253	L	91.6	Very high	88	Confident	37 Å²	37	81.3 Å²	81.3	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-59.5	-38.5	178.2	-71.7	176.6	0	0	0	112.3	F218 L223 Y249 F250 E255 E256 E257	F218-L253 HydrophobicContact CE2-CD1 3.66Å; F218-L253 HydrophobicContact CZ-CD1 3.96Å; L223-L253 HydrophobicContact CD1-CB 4.33Å; L223-L253 HydrophobicContact CD1-CD1 4.28Å; L223-L253 HydrophobicContact CD2-CB 3.74Å; Y249-L253 HydrophobicContact CD1-CD1 4.16Å; Y249-L253 HydrophobicContact CE1-CD1 3.61Å; Y249-L253 HydrophobicContact CE1-CG 4.4Å; Y249-L253 HydrophobicContact CE2-CD1 4.41Å; Y249-L253 HydrophobicContact CE2-CG 4.38Å; Y249-L253 PolarHBondContact O-N 3.05Å; F250-L253 PolarHBondContact O-N 2.92Å; L253-E255 VanDerWaalsContact C-N 3.35Å; L253-E256 WeakPolarHBondContact O-CB 3.45Å; L253-E256 PolarHBondContact O-N 2.79Å; L253-E257 PolarHBondContact O-N 3.45Å
254	L	88.3	Confident	86.4	Confident	19 Å²	19	85.9 Å²	85.9	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-70.3	-33.1	-179.3	-164.2	141.5	0	0	0	112	L223 L227 F250 E251 Q252 R258	L223-L254 HydrophobicContact CD2-CB 3.95Å; L223-L254 HydrophobicContact CD2-CD1 4.48Å; L227-L254 HydrophobicContact CD2-CD1 4.14Å; F250-L254 WeakPolarHBondContact O-CB 3.45Å; F250-L254 PolarHBondContact O-N 2.99Å; E251-L254 PolarHBondContact O-N 2.94Å; Q252-L254 VanDerWaalsContact C-N 3.26Å; Q252-L254 PolarHBondContact O-N 3.13Å; L254-R258 VanDerWaalsContact CD2-NE 3.32Å; L254-R258 WeakPolarHBondContact O-CG 3.37Å; L254-R258 PolarHBondContact O-N 2.8Å; L254-R258 VanDerWaalsContact O-N 3.09Å
255	E	88.2	Confident	84.7	Confident	104 Å²	104	95.3 Å²	95.3	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-68.7	-41.8	171.7	-165.4	63.2	-163.5	0	0	111.2	E251 Q252 L253 E257 R258 E259	E251-E255 PolarHBondContact O-N 3.31Å; E251-E255 VanDerWaalsContact O-N 3.13Å; Q252-E255 PolarHBondContact O-N 2.72Å; L253-E255 VanDerWaalsContact C-N 3.35Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 3.37Å; E255-R258 WeakPolarHBondContact O-CB 3.39Å; E255-R258 PolarHBondContact O-N 3.41Å; E255-R258 VanDerWaalsContact O-N 3.17Å; E255-E259 WeakPolarHBondContact O-CG 3.44Å; E255-E259 PolarHBondContact O-N 2.98Å
256	E	87.9	Confident	82.6	Confident	72 Å²	72	98.9 Å²	98.9	34%	0.336	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-37.9	174.7	-69.2	175.6	-164	0	0	112.3	Q252 L253 K260	Q252-E256 PolarHBondContact NE2-OE1 3.39Å; Q252-E256 WeakPolarHBondContact O-CG 3.29Å; Q252-E256 PolarHBondContact O-N 3.42Å; L253-E256 WeakPolarHBondContact O-CB 3.45Å; L253-E256 PolarHBondContact O-N 2.79Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.39Å; E256-K260 PolarHBondContact O-N 2.99Å; E256-K260 VanDerWaalsContact O-N 3.11Å
257	E	85	Confident	80.5	Confident	84 Å²	84	106.4 Å²	106.4	39%	0.393	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-44.1	172.8	-78.3	-178	170.3	0	0	112.2	L253 E255 E259 K260 M261	L253-E257 PolarHBondContact O-N 3.45Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 3.37Å; E257-E259 PolarHBondContact O-N 3.43Å; E257-K260 PolarHBondContact O-N 3.02Å; E257-M261 WeakPolarHBondContact O-CG 3.34Å; E257-M261 PolarHBondContact O-N 3.33Å
258	R	84.1	Confident	78.3	Confident	144 Å²	144	108 Å²	108	54%	0.543	52%	0.524	S	S	.	.	H	α-helix	trans	-59.7	-46.2	176.3	-76.1	172.9	178.4	-117.8	-3.1	111.6	L254 E255 K260 M261 L262	L254-R258 VanDerWaalsContact CD2-NE 3.32Å; L254-R258 WeakPolarHBondContact O-CG 3.37Å; L254-R258 PolarHBondContact O-N 2.8Å; L254-R258 VanDerWaalsContact O-N 3.09Å; E255-R258 WeakPolarHBondContact O-CB 3.39Å; E255-R258 PolarHBondContact O-N 3.41Å; E255-R258 VanDerWaalsContact O-N 3.17Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 3.24Å; R258-M261 PolarHBondContact O-N 2.73Å; R258-L262 WeakPolarHBondContact O-CD1 3.28Å; R258-L262 PolarHBondContact O-N 3.15Å
259	E	84.9	Confident	76.1	Confident	121 Å²	121	108.5 Å²	108.5	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-61.2	-41.2	177.6	-72.3	-174	165.3	0	0	112	E255 E257 L262 S263	E255-E259 WeakPolarHBondContact O-CG 3.44Å; E255-E259 PolarHBondContact O-N 2.98Å; E257-E259 PolarHBondContact O-N 3.43Å; E259-L262 PolarHBondContact O-N 3.4Å; E259-S263 WeakPolarHBondContact O-CB 3Å; E259-S263 PolarHBondContact O-N 2.72Å
260	K	82.3	Confident	73.9	Confident	132 Å²	132	110.7 Å²	110.7	57%	0.574	55%	0.553	S	S	*	*	H	α-helix	trans	-64.5	-40.9	175.4	-74.8	171.1	-173	165.6	0	112.6	E256 E257 R258 L262 S263 N264	E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.39Å; E256-K260 PolarHBondContact O-N 2.99Å; E256-K260 VanDerWaalsContact O-N 3.11Å; E257-K260 PolarHBondContact O-N 3.02Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 3.24Å; K260-L262 VanDerWaalsContact C-N 3.32Å; K260-S263 PolarHBondContact O-N 2.98Å; K260-N264 PolarHBondContact O-N 3.21Å
261	M	75.4	Confident	71.8	Confident	131 Å²	131	114.5 Å²	114.5	65%	0.645	59%	0.585	S	S	*	*	H	α-helix	trans	-65.4	-34.3	175.6	-73.9	-173.1	169.5	0	0	112.6	E257 R258 S263	E257-M261 WeakPolarHBondContact O-CG 3.34Å; E257-M261 PolarHBondContact O-N 3.33Å; R258-M261 PolarHBondContact O-N 2.73Å; M261-S263 VanDerWaalsContact C-N 3.33Å
262	L	77	Confident	69.8	Low	155 Å²	155	114.3 Å²	114.3	81%	0.812	59%	0.589	S	S	*	*	H	α-helix	trans	-71.2	-27.8	174.2	-79.8	151.5	0	0	0	112.6	R258 E259 K260	R258-L262 WeakPolarHBondContact O-CD1 3.28Å; R258-L262 PolarHBondContact O-N 3.15Å; E259-L262 PolarHBondContact O-N 3.4Å; K260-L262 VanDerWaalsContact C-N 3.32Å
263	S	71.4	Confident	67.9	Low	93 Å²	93	113.2 Å²	113.2	65%	0.65	59%	0.592	S	S	*	*	H	α-helix	trans	-83.6	-39.3	-179.4	171.4	0	0	0	0	113.9	E259 K260 M261	E259-S263 WeakPolarHBondContact O-CB 3Å; E259-S263 PolarHBondContact O-N 2.72Å; K260-S263 PolarHBondContact O-N 2.98Å; M261-S263 VanDerWaalsContact C-N 3.33Å
264	N	59.8	Low	66.2	Low	98 Å²	98	120.5 Å²	120.5	52%	0.524	63%	0.625	S	S	.	*			trans	-108.9	119.6	-177.7	-72.4	-14.4	0	0	0	110	K260 T266	K260-N264 PolarHBondContact O-N 3.21Å; N264-T266 WeakPolarHBondContact CB-OG1 3.46Å; N264-T266 PolarHBondContact O-N 2.93Å
265	Q	55.3	Low	64.9	Low	214 Å²	214	120.9 Å²	120.9	100%	1	63%	0.633	S	S	*	*			trans	-71	49.6	168.6	-68.3	-178	-12.6	0	0	111.6
266	T	48.9	Very low	64	Low	110 Å²	110	121.3 Å²	121.3	68%	0.675	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-101.5	130.8	173.2	5.9	0	0	0	0	109	N264 A268	N264-T266 WeakPolarHBondContact CB-OG1 3.46Å; N264-T266 PolarHBondContact O-N 2.93Å; T266-A268 PolarHBondContact O-N 3.16Å
267	E	49.8	Very low	63.7	Low	191 Å²	191	119.1 Å²	119.1	89%	0.893	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-53.4	135.1	169.3	-73.8	176.9	151.8	0	0	109.7	E269	E267-E269 PolarHBondContact O-N 3.29Å
268	A	47.4	Very low	63.4	Low	65 Å²	65	123.4 Å²	123.4	54%	0.537	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-52.6	125.3	179.7	0	0	0	0	0	110.6	T266 L270	T266-A268 PolarHBondContact O-N 3.16Å; A268-L270 PolarHBondContact O-N 3.4Å
269	E	47.1	Very low	63.3	Low	194 Å²	194	120 Å²	120	91%	0.907	63%	0.634	S	S	*	*			trans	-58.2	115.2	152	-80.8	-179.8	159.5	0	0	105.7	E267 A271	E267-E269 PolarHBondContact O-N 3.29Å; E269-A271 PolarHBondContact O-N 3.08Å; E269-A271 VanDerWaalsContact O-N 3.16Å
270	L	46.3	Very low	63	Low	165 Å²	165	118 Å²	118	86%	0.864	63%	0.631	S	S	*	*			trans	-50.7	124.3	-174.5	-86.8	91.5	0	0	0	109.2	A268 T272	A268-L270 PolarHBondContact O-N 3.4Å; L270-T272 PolarHBondContact O-N 3.29Å
271	A	51.1	Low	62.7	Low	83 Å²	83	118.8 Å²	118.8	69%	0.686	65%	0.647	S	S	*	*			trans	-43.7	129.9	160.6	0	0	0	0	0	108.3	E269	E269-A271 PolarHBondContact O-N 3.08Å; E269-A271 VanDerWaalsContact O-N 3.16Å
272	T	51.8	Low	62.9	Low	75 Å²	75	114.7 Å²	114.7	46%	0.46	63%	0.627	S	S	.	*			trans	-48.4	133.2	169.8	32	0	0	0	0	108.1	L270 E274	L270-T272 PolarHBondContact O-N 3.29Å; T272-E274 PolarHBondContact O-N 3.13Å; T272-E274 VanDerWaalsContact O-N 3.13Å
273	P	52.5	Low	63	Low	91 Å²	91	113.8 Å²	113.8	59%	0.591	61%	0.614	S	S	*	*			trans	-49.4	126.1	176.5	-24.1	31.6	0	0	0	109.3	G275 I276	P273-G275 PolarHBondContact O-N 3.2Å; P273-I276 HydrophobicContact CB-CD1 4.46Å; P273-I276 PolarHBondContact O-N 2.93Å
274	E	56	Low	63.4	Low	190 Å²	190	110.4 Å²	110.4	89%	0.888	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43	113.3	-173.5	-72.2	176.9	167.8	0	0	111.3	T272	T272-E274 PolarHBondContact O-N 3.13Å; T272-E274 VanDerWaalsContact O-N 3.13Å
275	G	60.3	Low	64.3	Low	26 Å²	26	111.8 Å²	111.8	27%	0.268	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	83	7.3	173.8	0	0	0	0	0	117.3	P273	P273-G275 PolarHBondContact O-N 3.2Å
276	I	70.7	Confident	65.7	Low	114 Å²	114	103.4 Å²	103.4	59%	0.585	56%	0.564	S	S	*	*			trans	-106.6	105.5	171.1	-55.2	180	0	0	0	109.3	P273	P273-I276 HydrophobicContact CB-CD1 4.46Å; P273-I276 PolarHBondContact O-N 2.93Å
277	Y	81.5	Confident	67.6	Low	25 Å²	25	99.2 Å²	99.2	10%	0.098	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-97.9	137.1	173.9	-53.1	-78.4	0	0	0	110.3	Y183 V186 L220 D222 R225	Y183-Y277 WeakPolarHBondContact CE2-O 3.37Å; V186-Y277 HydrophobicContact CG1-CD2 3.82Å; V186-Y277 HydrophobicContact CG1-CE2 3.61Å; L220-Y277 HydrophobicContact CB-CD1 3.75Å; L220-Y277 HydrophobicContact CB-CE1 4.06Å; L220-Y277 HydrophobicContact CD1-CD1 3.59Å; L220-Y277 HydrophobicContact CD1-CD2 4.19Å; L220-Y277 HydrophobicContact CD1-CE1 4.18Å; L220-Y277 HydrophobicContact CD1-CG 3.62Å; L220-Y277 HydrophobicContact CG-CD1 4.3Å; D222-Y277 HydrophobicContact CB-CE1 3.81Å; D222-Y277 PolarHBondContact OD2-OH 2.96Å; R225-Y277 WeakPolarHBondContact CD-OH 3.47Å; R225-Y277 PolarHBondContact NH1-OH 3.24Å
278	E	78.1	Confident	69.5	Low	175 Å²	175	96 Å²	96	82%	0.818	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-85.4	145.2	167.8	-66	-172.2	172.8	0	0	109.7
279	R	81.3	Confident	71.6	Confident	72 Å²	72	96.3 Å²	96.3	27%	0.272	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.2	136.4	173.4	-175.4	-175.2	179.7	171.3	13.4	108.9	D141 Y183 E291	D141-R279 VanDerWaalsContact CG-CZ 3.49Å; D141-R279 IonicContact OD1-CZ 3.11Å; D141-R279 IonicContact OD2-CZ 3.07Å; D141-R279 IonicContact OD2-NE 3.17Å; D141-R279 IonicContact OD2-NH1 2.64Å; D141-R279 PolarHBondContact OD2-NH1 2.92Å; D141-R279 IonicContact OD2-NH2 3.3Å; D141-R279 PolarHBondContact OD2-NH2 3.45Å; Y183-R279 HydrophobicContact CD1-CB 4.5Å; Y183-R279 HydrophobicContact CD1-CG 4.39Å; Y183-R279 HydrophobicContact CE1-CB 4.33Å; Y183-R279 HydrophobicContact CE1-CG 4.47Å; R279-E291 IonicContact CZ-OE1 3.62Å; R279-E291 IonicContact NH1-OE1 4Å; R279-E291 PolarHBondContact NH1-OE1 2.96Å; R279-E291 IonicContact NH1-OE2 2.87Å
280	P	79.8	Confident	73.8	Confident	79 Å²	79	87.1 Å²	87.1	51%	0.513	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-53.8	149	173.7	-25.9	33.9	0	0	0	112.3	D282	P280-D282 PolarHBondContact O-N 3.31Å
281	V	76.1	Confident	76.1	Confident	149 Å²	149	79.8 Å²	79.8	90%	0.903	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-58.5	122.4	177.9	-178.8	0	0	0	0	109.7
282	D	77.9	Confident	78.1	Confident	44 Å²	44	77 Å²	77	24%	0.235	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-80.3	157.3	179.7	-163.4	-92.9	0	0	0	111.9	P280 L284 R287	P280-D282 PolarHBondContact O-N 3.31Å; D282-L284 PolarHBondContact O-N 2.96Å; D282-L284 WeakPolarHBondContact OD1-CB 3.38Å; D282-L284 PolarHBondContact OD1-N 3.39Å; D282-R287 HydrophobicContact CB-CB 4.47Å; D282-R287 VanDerWaalsContact CG-NH2 3.31Å; D282-R287 IonicContact OD1-CZ 3.64Å; D282-R287 IonicContact OD1-NE 3.06Å; D282-R287 PolarHBondContact OD1-NE 3.04Å; D282-R287 IonicContact OD1-NH2 3.62Å; D282-R287 PolarHBondContact OD1-NH2 2.99Å; D282-R287 IonicContact OD2-CZ 2.71Å; D282-R287 IonicContact OD2-NE 2.69Å; D282-R287 PolarHBondContact OD2-NE 2.81Å; D282-R287 IonicContact OD2-NH1 3.88Å; D282-R287 IonicContact OD2-NH2 3.71Å; D282-R287 PolarHBondContact OD2-NH2 3.22Å; D282-R287 VanDerWaalsContact OD2-NH2 3.11Å
283	Y	79.1	Confident	80.1	Confident	136 Å²	136	73.4 Å²	73.4	53%	0.533	39%	0.392	S	S	.	.	S	Bend	trans	-70.2	-20.5	175.6	68.6	-89.5	0	0	0	113.2	P285 E428	Y283-P285 WeakPolarHBondContact O-CD 3.5Å; Y283-E428 PolarHBondContact OH-OE1 3.24Å; Y283-E428 VanDerWaalsContact OH-OE1 3.11Å; Y283-E428 PolarHBondContact OH-OE2 2.75Å
284	L	79.9	Confident	82.1	Confident	22 Å²	22	69.1 Å²	69.1	12%	0.115	36%	0.364	C	S	.	.			trans	-87.6	109.8	172.3	-70.4	-175.5	0	0	0	110.2	D282 E286 R287 E428	D282-L284 PolarHBondContact O-N 2.96Å; D282-L284 WeakPolarHBondContact OD1-CB 3.38Å; D282-L284 PolarHBondContact OD1-N 3.39Å; L284-E286 PolarHBondContact O-N 3.3Å; L284-E286 VanDerWaalsContact O-N 3.14Å; L284-R287 HydrophobicContact CB-CB 4.13Å; L284-R287 WeakPolarHBondContact O-CB 3.32Å; L284-R287 PolarHBondContact O-N 3.02Å; L284-E428 HydrophobicContact CD1-CB 4.29Å; L284-E428 HydrophobicContact CD1-CG 4.08Å; L284-E428 VanDerWaalsContact CD1-OE2 3.28Å; L284-E428 WeakPolarHBondContact CD1-OE2 3.17Å
285	P	79.8	Confident	83.9	Confident	127 Å²	127	62.1 Å²	62.1	83%	0.825	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	179.9	-20.8	33.8	0	0	0	113.4	Y283	Y283-P285 WeakPolarHBondContact O-CD 3.5Å
286	E	84.3	Confident	85.4	Confident	39 Å²	39	62.8 Å²	62.8	18%	0.182	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.3	-176.1	67.6	-153.3	-166.8	0	0	113.4	L284 D288 V289 Y290 P429 R500	L284-E286 PolarHBondContact O-N 3.3Å; L284-E286 VanDerWaalsContact O-N 3.14Å; E286-D288 PolarHBondContact O-N 3.11Å; E286-V289 PolarHBondContact O-N 3.07Å; E286-Y290 WeakPolarHBondContact O-CB 3.32Å; E286-Y290 PolarHBondContact O-N 3.49Å; E286-P429 HydrophobicContact CG-CG 4.41Å; E286-P429 WeakPolarHBondContact OE1-CB 3.04Å; E286-R500 IonicContact OE1-CZ 2.99Å; E286-R500 IonicContact OE1-NE 3.16Å; E286-R500 PolarHBondContact OE1-NE 2.75Å; E286-R500 IonicContact OE1-NH2 3.6Å; E286-R500 PolarHBondContact OE1-NH2 3.48Å; E286-R500 IonicContact OE2-NE 2.82Å; E286-R500 PolarHBondContact OE2-NE 3.22Å
287	R	89.1	Confident	86.3	Confident	21 Å²	21	62 Å²	62	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-56.9	-45.9	-175.3	-177.4	163.7	-67.3	-125.8	7.6	112.6	D282 L284 V289 Y290 E291 E428	D282-R287 HydrophobicContact CB-CB 4.47Å; D282-R287 VanDerWaalsContact CG-NH2 3.31Å; D282-R287 IonicContact OD1-CZ 3.64Å; D282-R287 IonicContact OD1-NE 3.06Å; D282-R287 PolarHBondContact OD1-NE 3.04Å; D282-R287 IonicContact OD1-NH2 3.62Å; D282-R287 PolarHBondContact OD1-NH2 2.99Å; D282-R287 IonicContact OD2-CZ 2.71Å; D282-R287 IonicContact OD2-NE 2.69Å; D282-R287 PolarHBondContact OD2-NE 2.81Å; D282-R287 IonicContact OD2-NH1 3.88Å; D282-R287 IonicContact OD2-NH2 3.71Å; D282-R287 PolarHBondContact OD2-NH2 3.22Å; D282-R287 VanDerWaalsContact OD2-NH2 3.11Å; L284-R287 HydrophobicContact CB-CB 4.13Å; L284-R287 WeakPolarHBondContact O-CB 3.32Å; L284-R287 PolarHBondContact O-N 3.02Å; R287-V289 VanDerWaalsContact C-N 3.31Å; R287-V289 PolarHBondContact O-N 3.33Å; R287-Y290 WeakPolarHBondContact O-CB 3.38Å; R287-Y290 PolarHBondContact O-N 3.31Å; R287-E291 WeakPolarHBondContact CD-OE1 3.45Å; R287-E291 HydrophobicContact CG-CG 4.08Å; R287-E291 WeakPolarHBondContact CG-OE1 3.17Å; R287-E291 WeakPolarHBondContact O-CG 3.25Å; R287-E291 PolarHBondContact O-N 3.31Å; R287-E428 IonicContact NH2-OE1 3.65Å; R287-E428 PolarHBondContact NH2-OE1 2.98Å
288	D	89.6	Confident	86.1	Confident	123 Å²	123	61.8 Å²	61.8	66%	0.658	34%	0.335	S	S	*	.	H	α-helix	trans	-62.2	-40.2	-179	-66.1	-28.1	0	0	0	112.2	E286 S292	E286-D288 PolarHBondContact O-N 3.11Å; D288-S292 VanDerWaalsContact O-CB 3.25Å; D288-S292 WeakPolarHBondContact O-CB 3.35Å; D288-S292 PolarHBondContact O-N 2.98Å; D288-S292 PolarHBondContact O-OG 3.17Å
289	V	91.8	Very high	86	Confident	72 Å²	72	58 Å²	58	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-47.5	176.5	178.8	0	0	0	0	109.7	E286 R287 S292 L293 P470	E286-V289 PolarHBondContact O-N 3.07Å; R287-V289 VanDerWaalsContact C-N 3.31Å; R287-V289 PolarHBondContact O-N 3.33Å; V289-S292 PolarHBondContact O-N 3.24Å; V289-S292 PolarHBondContact O-OG 3.2Å; V289-L293 HydrophobicContact CG1-CD1 4.29Å; V289-L293 WeakPolarHBondContact O-CG 3.35Å; V289-L293 PolarHBondContact O-N 3.36Å; V289-P470 HydrophobicContact CG1-CB 4.4Å
290	Y	92.9	Very high	85.7	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-55.5	-52.1	175.6	158.9	-111.9	0	0	0	112.3	E286 R287 S292 L293 C294 Q426 P429 V468 A502 P505	E286-Y290 WeakPolarHBondContact O-CB 3.32Å; E286-Y290 PolarHBondContact O-N 3.49Å; R287-Y290 WeakPolarHBondContact O-CB 3.38Å; R287-Y290 PolarHBondContact O-N 3.31Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-S292 PolarHBondContact O-N 2.82Å; Y290-L293 WeakPolarHBondContact O-CB 3.45Å; Y290-L293 PolarHBondContact O-N 2.92Å; Y290-C294 VanDerWaalsContact CE2-SG 3.56Å; Y290-C294 PolarHBondContact O-N 2.74Å; Y290-C294 VanDerWaalsContact O-N 3.12Å; Y290-C294 PolarHBondContact O-SG 3.4Å; Y290-Q426 PolarHBondContact OH-OE1 3.39Å; Y290-P429 HydrophobicContact CD2-CG 4.11Å; Y290-P429 HydrophobicContact CG-CG 4.11Å; Y290-V468 HydrophobicContact CD2-CG2 3.75Å; Y290-V468 HydrophobicContact CE2-CG2 4.02Å; Y290-A502 HydrophobicContact CD2-CB 3.71Å; Y290-A502 HydrophobicContact CE2-CB 3.49Å; Y290-A502 VanDerWaalsContact CE2-CB 3.49Å; Y290-P505 WeakPolarHBondContact OH-CD 3.27Å
291	E	94.1	Very high	85.8	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-36.9	-178.9	-67.3	179.1	175.8	0	0	111.3	T142 R279 R287 L293 C294 R295	T142-E291 HydrophobicContact CG2-CB 4.29Å; T142-E291 HydrophobicContact CG2-CG 4.19Å; R279-E291 IonicContact CZ-OE1 3.62Å; R279-E291 IonicContact NH1-OE1 4Å; R279-E291 PolarHBondContact NH1-OE1 2.96Å; R279-E291 IonicContact NH1-OE2 2.87Å; R287-E291 WeakPolarHBondContact CD-OE1 3.45Å; R287-E291 HydrophobicContact CG-CG 4.08Å; R287-E291 WeakPolarHBondContact CG-OE1 3.17Å; R287-E291 WeakPolarHBondContact O-CG 3.25Å; R287-E291 PolarHBondContact O-N 3.31Å; E291-L293 VanDerWaalsContact C-N 3.29Å; E291-L293 PolarHBondContact O-N 3.09Å; E291-C294 WeakPolarHBondContact O-CB 3.45Å; E291-C294 PolarHBondContact O-N 3.45Å; E291-C294 VanDerWaalsContact O-N 3.13Å; E291-R295 VanDerWaalsContact C-NH1 3.33Å; E291-R295 PolarHBondContact O-N 2.84Å; E291-R295 VanDerWaalsContact O-N 3.07Å; E291-R295 PolarHBondContact O-NH1 3.48Å
292	S	93.6	Very high	86.2	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-38.7	174	79.4	0	0	0	0	112.5	D288 V289 Y290 C294 R295 G296 E297	D288-S292 VanDerWaalsContact O-CB 3.25Å; D288-S292 WeakPolarHBondContact O-CB 3.35Å; D288-S292 PolarHBondContact O-N 2.98Å; D288-S292 PolarHBondContact O-OG 3.17Å; V289-S292 PolarHBondContact O-N 3.24Å; V289-S292 PolarHBondContact O-OG 3.2Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-S292 PolarHBondContact O-N 2.82Å; S292-C294 VanDerWaalsContact C-N 3.34Å; S292-C294 PolarHBondContact O-N 3.24Å; S292-R295 PolarHBondContact O-N 3.45Å; S292-R295 VanDerWaalsContact O-N 3.17Å; S292-G296 PolarHBondContact O-N 2.96Å; S292-E297 VanDerWaalsContact O-CB 3.32Å; S292-E297 WeakPolarHBondContact O-CB 3.16Å; S292-E297 PolarHBondContact O-N 3.23Å
293	L	94.3	Very high	86.7	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-37.5	175.5	-70.1	168.3	0	0	0	112	V289 Y290 E291 R295 G296 V468 P470 G473	V289-L293 HydrophobicContact CG1-CD1 4.29Å; V289-L293 WeakPolarHBondContact O-CG 3.35Å; V289-L293 PolarHBondContact O-N 3.36Å; Y290-L293 WeakPolarHBondContact O-CB 3.45Å; Y290-L293 PolarHBondContact O-N 2.92Å; E291-L293 VanDerWaalsContact C-N 3.29Å; E291-L293 PolarHBondContact O-N 3.09Å; L293-R295 PolarHBondContact O-N 2.88Å; L293-G296 PolarHBondContact O-N 2.87Å; L293-V468 HydrophobicContact CB-CB 3.84Å; L293-V468 HydrophobicContact CB-CG1 3.7Å; L293-V468 HydrophobicContact CB-CG2 4.35Å; L293-V468 HydrophobicContact CD1-CB 4.18Å; L293-P470 VanDerWaalsContact CD1-CA 3.49Å; L293-P470 HydrophobicContact CD1-CB 4.41Å; L293-G473 WeakPolarHBondContact CD2-O 3.39Å
294	C	94.8	Very high	87.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-30.2	173.8	-60.7	0	0	0	0	112.6	T142 Y143 Y290 E291 S292 G296 W477 C504	T142-C294 HydrophobicContact CG2-CB 3.55Å; Y143-C294 HydrophobicContact CE1-CB 4.31Å; Y143-C294 WeakPolarHBondContact CE1-O 3.31Å; Y290-C294 VanDerWaalsContact CE2-SG 3.56Å; Y290-C294 PolarHBondContact O-N 2.74Å; Y290-C294 VanDerWaalsContact O-N 3.12Å; Y290-C294 PolarHBondContact O-SG 3.4Å; E291-C294 WeakPolarHBondContact O-CB 3.45Å; E291-C294 PolarHBondContact O-N 3.45Å; E291-C294 VanDerWaalsContact O-N 3.13Å; S292-C294 VanDerWaalsContact C-N 3.34Å; S292-C294 PolarHBondContact O-N 3.24Å; C294-G296 VanDerWaalsContact C-N 3.28Å; C294-W477 WeakPolarHBondContact O-CH2 3.45Å; C294-C504 WeakPolarHBondContact CA-SG 3.49Å; C294-C504 HydrophobicContact CB-CB 3.68Å; C294-C504 WeakPolarHBondContact CB-SG 3.34Å; C294-C504 VanDerWaalsContact SG-CA 3.57Å; C294-C504 WeakPolarHBondContact SG-CB 3.28Å; C294-C504 CovalentContact SG-SG 2.03Å; C294-C504 PolarHBondContact SG-SG 3.1Å
295	R	93.7	Very high	87.4	Confident	43 Å²	43	65.5 Å²	65.5	16%	0.162	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.1	172.5	-63.6	-173.6	-59	-86.6	-1.4	114.1	T142 Y143 R144 E291 S292 L293 E297	T142-R295 WeakPolarHBondContact O-CD 3.49Å; T142-R295 VanDerWaalsContact O-CG 3.25Å; T142-R295 WeakPolarHBondContact O-CG 3.45Å; T142-R295 PolarHBondContact O-NH1 2.89Å; Y143-R295 HydrophobicContact CD1-CG 4.19Å; R144-R295 VanDerWaalsContact CZ-NH2 3.33Å; E291-R295 VanDerWaalsContact C-NH1 3.33Å; E291-R295 PolarHBondContact O-N 2.84Å; E291-R295 VanDerWaalsContact O-N 3.07Å; E291-R295 PolarHBondContact O-NH1 3.48Å; S292-R295 PolarHBondContact O-N 3.45Å; S292-R295 VanDerWaalsContact O-N 3.17Å; L293-R295 PolarHBondContact O-N 2.88Å; R295-E297 VanDerWaalsContact C-N 3.3Å; R295-E297 HydrophobicContact CB-CG 3.93Å; R295-E297 IonicContact CZ-OE1 3.31Å; R295-E297 IonicContact CZ-OE2 3.88Å; R295-E297 IonicContact NE-OE1 3.11Å; R295-E297 PolarHBondContact NE-OE1 3.39Å; R295-E297 IonicContact NE-OE2 3.55Å; R295-E297 PolarHBondContact NE-OE2 3.27Å; R295-E297 VanDerWaalsContact NE-OE2 3.16Å; R295-E297 IonicContact NH2-OE1 2.72Å; R295-E297 IonicContact NH2-OE2 3.36Å; R295-E297 PolarHBondContact NH2-OE2 2.84Å
296	G	90.1	Very high	87.6	Confident	40 Å²	40	65.4 Å²	65.4	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	16.3	-175	0	0	0	0	0	114	S292 L293 C294 G298	S292-G296 PolarHBondContact O-N 2.96Å; L293-G296 PolarHBondContact O-N 2.87Å; C294-G296 VanDerWaalsContact C-N 3.28Å; G296-G298 PolarHBondContact O-N 2.94Å
297	E	89.9	Confident	87.8	Confident	98 Å²	98	71.5 Å²	71.5	46%	0.458	36%	0.362	S	S	.	.			trans	-84.4	13.4	178.4	-59	168.6	-177.2	0	0	112.6	R144 S292 R295	R144-E297 IonicContact NH1-OE1 3.11Å; R144-E297 IonicContact NH1-OE2 4Å; S292-E297 VanDerWaalsContact O-CB 3.32Å; S292-E297 WeakPolarHBondContact O-CB 3.16Å; S292-E297 PolarHBondContact O-N 3.23Å; R295-E297 VanDerWaalsContact C-N 3.3Å; R295-E297 HydrophobicContact CB-CG 3.93Å; R295-E297 IonicContact CZ-OE1 3.31Å; R295-E297 IonicContact CZ-OE2 3.88Å; R295-E297 IonicContact NE-OE1 3.11Å; R295-E297 PolarHBondContact NE-OE1 3.39Å; R295-E297 IonicContact NE-OE2 3.55Å; R295-E297 PolarHBondContact NE-OE2 3.27Å; R295-E297 VanDerWaalsContact NE-OE2 3.16Å; R295-E297 IonicContact NH2-OE1 2.72Å; R295-E297 IonicContact NH2-OE2 3.36Å; R295-E297 PolarHBondContact NH2-OE2 2.84Å
298	G	77.6	Confident	87.6	Confident	20 Å²	20	77.9 Å²	77.9	21%	0.206	39%	0.386	C	S	.	.			trans	-62.6	169	-175.3	0	0	0	0	0	116.2	G296 K300	G296-G298 PolarHBondContact O-N 2.94Å; G298-K300 PolarHBondContact O-N 2.94Å
299	V	75.8	Confident	87.6	Confident	95 Å²	95	74.1 Å²	74.1	58%	0.576	37%	0.366	S	S	*	.			trans	-64.5	111.2	175.5	-179.6	0	0	0	0	109.2	G473	V299-G473 PolarHBondContact N-O 2.65Å
300	K	76.7	Confident	87.6	Confident	188 Å²	188	76.7 Å²	76.7	82%	0.817	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-71.2	131.6	170.7	-66.9	-176.8	-179.4	178.1	0	109.4	G298 T302	G298-K300 PolarHBondContact O-N 2.94Å; K300-T302 PolarHBondContact O-N 3.12Å
301	L	80.6	Confident	87.6	Confident	25 Å²	25	81.2 Å²	81.2	13%	0.131	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-54.1	138.2	172.3	-72	171.8	0	0	0	110.2	R305 Q306 L309 W333	L301-R305 HydrophobicContact CB-CB 4.3Å; L301-R305 HydrophobicContact CD2-CB 4.04Å; L301-Q306 HydrophobicContact CB-CB 4.33Å; L301-L309 HydrophobicContact CD1-CD1 3.49Å; L301-L309 VanDerWaalsContact CD1-CD1 3.49Å; L301-L309 HydrophobicContact CD1-CD2 4.4Å; L301-L309 HydrophobicContact CD1-CG 4.21Å; L301-W333 HydrophobicContact CD1-CE3 3.94Å; L301-W333 HydrophobicContact CD1-CZ3 4.07Å; L301-W333 HydrophobicContact CD2-CD2 4.1Å; L301-W333 HydrophobicContact CD2-CE3 3.87Å; L301-W333 HydrophobicContact CD2-CH2 3.53Å; L301-W333 HydrophobicContact CD2-CZ2 3.76Å; L301-W333 HydrophobicContact CD2-CZ3 3.58Å; L301-W333 HydrophobicContact CG-CE3 3.92Å; L301-W333 HydrophobicContact CG-CH2 3.95Å; L301-W333 HydrophobicContact CG-CZ3 3.55Å
302	T	85.3	Confident	87.6	Confident	75 Å²	75	85.5 Å²	85.5	46%	0.46	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.8	150.7	173	64.9	0	0	0	0	109.5	K300 R304 R305 Q306	K300-T302 PolarHBondContact O-N 3.12Å; T302-R304 PolarHBondContact O-N 2.85Å; T302-R305 PolarHBondContact O-N 2.85Å; T302-R305 PolarHBondContact OG1-N 3.05Å; T302-Q306 PolarHBondContact O-N 3.42Å
303	P	87	Confident	87.6	Confident	97 Å²	97	91.5 Å²	91.5	63%	0.63	44%	0.438	S	S	*	.	H	α-helix	trans	-53.3	-29.3	178.7	-28.9	35.2	0	0	0	113.6	K307	P303-K307 VanDerWaalsContact O-CG 3.29Å; P303-K307 WeakPolarHBondContact O-CG 3.31Å; P303-K307 PolarHBondContact O-N 3.48Å
304	R	87.8	Confident	87.5	Confident	201 Å²	201	92.9 Å²	92.9	76%	0.758	44%	0.444	S	S	*	.	H	α-helix	trans	-69.1	-41.8	175.3	-176.2	178.9	176.2	177.8	-0.8	112.8	T302	T302-R304 PolarHBondContact O-N 2.85Å
305	R	85.9	Confident	87.1	Confident	75 Å²	75	96.4 Å²	96.4	28%	0.283	46%	0.46	S	S	.	.	H	α-helix	trans	-73.5	-40.9	176.7	-72.8	179.2	67.5	-161.5	-1.7	111.1	L301 T302 K307 R308 W333 D334	L301-R305 HydrophobicContact CB-CB 4.3Å; L301-R305 HydrophobicContact CD2-CB 4.04Å; T302-R305 PolarHBondContact O-N 2.85Å; T302-R305 PolarHBondContact OG1-N 3.05Å; R305-K307 VanDerWaalsContact C-N 3.26Å; R305-K307 PolarHBondContact O-N 2.64Å; R305-R308 VanDerWaalsContact O-CB 3.28Å; R305-R308 WeakPolarHBondContact O-CB 3.44Å; R305-R308 PolarHBondContact O-N 3.2Å; R305-W333 VanDerWaalsContact NH2-CE2 3.32Å; R305-D334 IonicContact CZ-OD1 3.45Å; R305-D334 VanDerWaalsContact CZ-OD1 3.3Å; R305-D334 IonicContact CZ-OD2 2.98Å; R305-D334 IonicContact NE-OD1 3.37Å; R305-D334 PolarHBondContact NE-OD1 3.27Å; R305-D334 VanDerWaalsContact NE-OD1 3.17Å; R305-D334 IonicContact NE-OD2 4Å; R305-D334 PolarHBondContact NE-OD2 2.89Å; R305-D334 VanDerWaalsContact NE-OD2 3.07Å; R305-D334 IonicContact NH2-OD1 2.72Å; R305-D334 PolarHBondContact NH2-OD1 3.21Å; R305-D334 IonicContact NH2-OD2 3.87Å
306	Q	85.8	Confident	86.4	Confident	124 Å²	124	94.8 Å²	94.8	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-59.7	-35.8	177.8	-166	177.1	6.3	0	0	112.5	L301 T302 R308 L309	L301-Q306 HydrophobicContact CB-CB 4.33Å; T302-Q306 PolarHBondContact O-N 3.42Å; Q306-R308 PolarHBondContact O-N 3.33Å; Q306-R308 VanDerWaalsContact O-N 3.11Å; Q306-L309 WeakPolarHBondContact O-CB 3.39Å; Q306-L309 PolarHBondContact O-N 3.27Å; Q306-L309 VanDerWaalsContact O-N 3.08Å
307	K	87.1	Confident	85.6	Confident	167 Å²	167	99.7 Å²	99.7	73%	0.726	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.5	173	-79	179.3	-177.4	-172.1	0	114.9	P303 R305 F310	P303-K307 VanDerWaalsContact O-CG 3.29Å; P303-K307 WeakPolarHBondContact O-CG 3.31Å; P303-K307 PolarHBondContact O-N 3.48Å; R305-K307 VanDerWaalsContact C-N 3.26Å; R305-K307 PolarHBondContact O-N 2.64Å; K307-F310 VanDerWaalsContact O-CZ 3.31Å; K307-F310 WeakPolarHBondContact O-CZ 3.24Å
308	R	86.2	Confident	84.8	Confident	156 Å²	156	104.9 Å²	104.9	59%	0.589	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.6	176.1	-64.8	177.5	150.7	-173.3	-9.1	113	R305 Q306 F310	R305-R308 VanDerWaalsContact O-CB 3.28Å; R305-R308 WeakPolarHBondContact O-CB 3.44Å; R305-R308 PolarHBondContact O-N 3.2Å; Q306-R308 PolarHBondContact O-N 3.33Å; Q306-R308 VanDerWaalsContact O-N 3.11Å; R308-F310 WeakPolarHBondContact O-CD2 3.18Å; R308-F310 VanDerWaalsContact O-CE2 3.26Å; R308-F310 WeakPolarHBondContact O-CE2 3.28Å
309	L	88.8	Confident	84.8	Confident	43 Å²	43	104.9 Å²	104.9	23%	0.225	49%	0.487	C	S	.	.			trans	-80.8	130.3	175.9	-56.2	-176.9	0	0	0	109	L301 Q306 D331 D334	L301-L309 HydrophobicContact CD1-CD1 3.49Å; L301-L309 VanDerWaalsContact CD1-CD1 3.49Å; L301-L309 HydrophobicContact CD1-CD2 4.4Å; L301-L309 HydrophobicContact CD1-CG 4.21Å; Q306-L309 WeakPolarHBondContact O-CB 3.39Å; Q306-L309 PolarHBondContact O-N 3.27Å; Q306-L309 VanDerWaalsContact O-N 3.08Å; L309-D331 HydrophobicContact CB-CB 3.99Å; L309-D331 HydrophobicContact CD2-CB 3.63Å; L309-D331 HydrophobicContact CG-CB 4.37Å; L309-D334 HydrophobicContact CD2-CB 4.07Å
310	F	91.4	Very high	85.2	Confident	127 Å²	127	104.6 Å²	104.6	56%	0.557	49%	0.487	S	S	*	.			trans	-133.3	142.4	-178.9	-64.9	-81.7	0	0	0	112	K307 R308 D331	K307-F310 VanDerWaalsContact O-CZ 3.31Å; K307-F310 WeakPolarHBondContact O-CZ 3.24Å; R308-F310 WeakPolarHBondContact O-CD2 3.18Å; R308-F310 VanDerWaalsContact O-CE2 3.26Å; R308-F310 WeakPolarHBondContact O-CE2 3.28Å; F310-D331 PolarHBondContact N-OD2 3.01Å; F310-D331 PolarHBondContact O-N 3.26Å
311	C	94	Very high	85.5	Confident	95 Å²	95	100.7 Å²	100.7	64%	0.642	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	137.9	165.1	-50.5	0	0	0	0	109.4	E329	C311-E329 CarbonylContact C-O 3.6Å; C311-E329 VanDerWaalsContact CA-O 3.22Å; C311-E329 WeakPolarHBondContact CA-O 3.2Å
312	R	94.2	Very high	85.8	Confident	103 Å²	103	100 Å²	100	39%	0.389	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162.4	-174.3	51.1	-164	146.4	126.6	-9	112.4	E329 D331 H337	R312-E329 VanDerWaalsContact CD-OE1 3.23Å; R312-E329 WeakPolarHBondContact CD-OE1 3.36Å; R312-E329 HydrophobicContact CG-CB 4.07Å; R312-E329 HydrophobicContact CG-CG 4.23Å; R312-E329 VanDerWaalsContact CG-OE1 3.23Å; R312-E329 WeakPolarHBondContact CG-OE1 3.22Å; R312-E329 IonicContact CZ-OE1 2.72Å; R312-E329 PolarHBondContact N-O 3.41Å; R312-E329 IonicContact NE-OE1 3.24Å; R312-E329 PolarHBondContact NE-OE1 2.65Å; R312-E329 IonicContact NH1-OE1 2.75Å; R312-E329 PolarHBondContact NH1-OE1 2.73Å; R312-E329 IonicContact NH2-OE1 2.8Å; R312-E329 PolarHBondContact O-N 2.78Å; R312-D331 IonicContact CZ-OD1 3.04Å; R312-D331 IonicContact NE-OD1 3.66Å; R312-D331 IonicContact NH2-OD1 3.64Å; R312-D331 PolarHBondContact NH2-OD1 2.81Å; R312-D331 IonicContact NH2-OD2 3.42Å; R312-D331 PolarHBondContact NH2-OD2 2.9Å; R312-H337 PolarHBondContact NH2-CE1 3.15Å; R312-H337 VanDerWaalsContact NH2-CE1 3.34Å; R312-H337 PolarHBondContact NH2-NE2 2.87Å; R312-H337 VanDerWaalsContact NH2-NE2 3.16Å
313	Y	93.4	Very high	85.8	Confident	149 Å²	149	101.1 Å²	101.1	58%	0.584	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.7	168.4	-75.4	-69.6	0	0	0	109.1	H315 P326 F327 K328	Y313-H315 PolarHBondContact O-CD2 2.92Å; Y313-P326 HydrophobicContact CD1-CB 4.08Å; Y313-P326 HydrophobicContact CD1-CG 3.72Å; Y313-P326 HydrophobicContact CG-CB 4.37Å; Y313-P326 HydrophobicContact CG-CG 4.07Å; Y313-F327 CarbonylContact C-O 3.46Å; Y313-F327 WeakPolarHBondContact CA-O 3.43Å; Y313-K328 HydrophobicContact CD1-CG 4.38Å; Y313-K328 HydrophobicContact CE1-CG 3.91Å
314	H	91.8	Very high	85.7	Confident	29 Å²	29	103.9 Å²	103.9	13%	0.134	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.5	-179.7	-179.1	51.2	0	0	0	111.2	G316 P326 F327 E329 Y341 I405	H314-G316 PolarHBondContact CE1-N 3.38Å; H314-G316 PolarHBondContact ND1-N 3.08Å; H314-P326 WeakPolarHBondContact O-CA 3.5Å; H314-P326 WeakPolarHBondContact O-CB 3.45Å; H314-F327 PolarHBondContact N-O 2.81Å; H314-F327 PolarHBondContact O-N 2.87Å; H314-F327 VanDerWaalsContact O-N 3.12Å; H314-E329 HydrophobicContact CB-CB 4.01Å; H314-E329 IonicContact CG-OE2 2.74Å; H314-Y341 HydrophobicContact CB-CE1 4.21Å; H314-Y341 AromaticContact CD2-CE1 3.63Å; H314-I405 PolarHBondContact NE2-O 3.47Å
315	H	86.9	Confident	85.8	Confident	75 Å²	75	97.3 Å²	97.3	35%	0.347	47%	0.467	S	S	.	.			trans	-105.3	14.3	-176.8	-61.6	-75.9	0	0	0	113	Y313 N317 R318 A319 L322 L323	Y313-H315 PolarHBondContact O-CD2 2.92Å; H315-N317 PolarHBondContact O-N 3.44Å; H315-R318 WeakPolarHBondContact O-CA 3.49Å; H315-R318 PolarHBondContact O-N 3.06Å; H315-A319 PolarHBondContact O-N 2.76Å; H315-L322 PolarHBondContact ND1-O 2.95Å; H315-L323 HydrophobicContact CB-CD2 4.29Å
316	G	77.4	Confident	86.1	Confident	8 Å²	8	95.6 Å²	95.6	8%	0.082	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	53	47.9	176	0	0	0	0	0	114	H314 R318 A319	H314-G316 PolarHBondContact CE1-N 3.38Å; H314-G316 PolarHBondContact ND1-N 3.08Å; G316-R318 VanDerWaalsContact C-N 3.26Å; G316-R318 PolarHBondContact O-N 3.01Å; G316-A319 WeakPolarHBondContact O-CB 3.43Å; G316-A319 PolarHBondContact O-N 2.96Å
317	N	74.3	Confident	86.5	Confident	143 Å²	143	91.1 Å²	91.1	77%	0.765	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	53.1	40.3	-174.8	-68.5	-18.4	0	0	0	114	H315	H315-N317 PolarHBondContact O-N 3.44Å
318	R	72	Confident	87	Confident	208 Å²	208	87.8 Å²	87.8	79%	0.785	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	70.2	29	-177.5	-48.4	179.7	177.2	-170	-1.3	114.1	H315 G316 L323	H315-R318 WeakPolarHBondContact O-CA 3.49Å; H315-R318 PolarHBondContact O-N 3.06Å; G316-R318 VanDerWaalsContact C-N 3.26Å; G316-R318 PolarHBondContact O-N 3.01Å; R318-L323 HydrophobicContact CB-CD2 4.43Å
319	A	79	Confident	87.4	Confident	19 Å²	19	80.9 Å²	80.9	16%	0.157	40%	0.404	C	S	.	.			trans	-53.6	123.8	166	0	0	0	0	0	109.2	H315 G316 Q321 L322 L323	H315-A319 PolarHBondContact O-N 2.76Å; G316-A319 WeakPolarHBondContact O-CB 3.43Å; G316-A319 PolarHBondContact O-N 2.96Å; A319-Q321 PolarHBondContact O-N 2.87Å; A319-L322 HydrophobicContact CB-CB 4.4Å; A319-L322 HydrophobicContact CB-CD1 4.4Å; A319-L322 HydrophobicContact CB-CG 4.28Å; A319-L322 PolarHBondContact O-N 3.48Å; A319-L323 PolarHBondContact O-N 3.32Å
320	P	83.7	Confident	87.8	Confident	90 Å²	90	81.9 Å²	81.9	58%	0.584	41%	0.408	S	S	*	.	H	α-helix	trans	-53.3	-35.7	-170.5	-30.1	35.4	0	0	0	114.2
321	Q	81.9	Confident	87.9	Confident	106 Å²	106	76.4 Å²	76.4	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-69.1	-36.2	179.8	-58.7	82.1	-0.1	0	0	112.4	A319 L323 I324 A325	A319-Q321 PolarHBondContact O-N 2.87Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-I324 PolarHBondContact O-N 2.96Å; Q321-A325 PolarHBondContact O-N 3.08Å
322	L	87.6	Confident	87.9	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-85.8	-6	-177.6	-56.6	-173.8	0	0	0	113.2	H315 A319 I324 A325 P326 F327 H404	H315-L322 PolarHBondContact ND1-O 2.95Å; A319-L322 HydrophobicContact CB-CB 4.4Å; A319-L322 HydrophobicContact CB-CD1 4.4Å; A319-L322 HydrophobicContact CB-CG 4.28Å; A319-L322 PolarHBondContact O-N 3.48Å; L322-I324 VanDerWaalsContact C-N 3.3Å; L322-A325 WeakPolarHBondContact CD2-O 3.29Å; L322-P326 WeakPolarHBondContact O-CA 3.31Å; L322-F327 HydrophobicContact CD1-CD2 4.21Å; L322-F327 HydrophobicContact CD1-CE2 4.44Å; L322-F327 HydrophobicContact CD2-CD2 3.74Å; L322-F327 HydrophobicContact CD2-CE2 3.51Å; L322-H404 HydrophobicContact CD1-CB 3.99Å; L322-H404 WeakPolarHBondContact CD1-O 3.22Å; L322-H404 HydrophobicContact CG-CB 4.4Å
323	L	85.7	Confident	87.8	Confident	99 Å²	99	69.5 Å²	69.5	52%	0.518	35%	0.346	S	S	.	.	H	α-helix	trans	-70.3	-30.6	165.9	-66.1	176.3	0	0	0	111.7	H315 R318 A319 Q321	H315-L323 HydrophobicContact CB-CD2 4.29Å; R318-L323 HydrophobicContact CB-CD2 4.43Å; A319-L323 PolarHBondContact O-N 3.32Å; Q321-L323 VanDerWaalsContact C-N 3.33Å
324	I	85.4	Confident	87.6	Confident	156 Å²	156	64 Å²	64	80%	0.8	33%	0.327	S	S	*	.	H	α-helix	trans	-92.3	-38.7	-179.1	-56.1	174.2	0	0	0	110.8	Q321 L322	Q321-I324 PolarHBondContact O-N 2.96Å; L322-I324 VanDerWaalsContact C-N 3.3Å
325	A	89.4	Confident	87.4	Confident	63 Å²	63	65.3 Å²	65.3	52%	0.521	34%	0.34	S	S	.	.	S	Bend	trans	-131	78.8	179.8	0	0	0	0	0	110.3	Q321 L322	Q321-A325 PolarHBondContact O-N 3.08Å; L322-A325 WeakPolarHBondContact CD2-O 3.29Å
326	P	93	Very high	87.6	Confident	39 Å²	39	62.3 Å²	62.3	25%	0.253	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-67.7	151.5	176.9	27	-33.7	0	0	0	112.1	Y313 H314 L322	Y313-P326 HydrophobicContact CD1-CB 4.08Å; Y313-P326 HydrophobicContact CD1-CG 3.72Å; Y313-P326 HydrophobicContact CG-CB 4.37Å; Y313-P326 HydrophobicContact CG-CG 4.07Å; H314-P326 WeakPolarHBondContact O-CA 3.5Å; H314-P326 WeakPolarHBondContact O-CB 3.45Å; L322-P326 WeakPolarHBondContact O-CA 3.31Å
327	F	94.1	Very high	88.2	Confident	30 Å²	30	66 Å²	66	13%	0.132	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	149.3	170	-75.7	-77.3	0	0	0	110.7	Y313 H314 L322 Y341 R401 I405	Y313-F327 CarbonylContact C-O 3.46Å; Y313-F327 WeakPolarHBondContact CA-O 3.43Å; H314-F327 PolarHBondContact N-O 2.81Å; H314-F327 PolarHBondContact O-N 2.87Å; H314-F327 VanDerWaalsContact O-N 3.12Å; L322-F327 HydrophobicContact CD1-CD2 4.21Å; L322-F327 HydrophobicContact CD1-CE2 4.44Å; L322-F327 HydrophobicContact CD2-CD2 3.74Å; L322-F327 HydrophobicContact CD2-CE2 3.51Å; F327-Y341 HydrophobicContact CB-CD1 4.36Å; F327-R401 HydrophobicContact CE2-CG 4.11Å; F327-R401 HydrophobicContact CZ-CG 3.65Å; F327-I405 HydrophobicContact CD1-CD1 4.44Å; F327-I405 HydrophobicContact CD2-CD1 3.89Å; F327-I405 HydrophobicContact CD2-CG1 3.5Å; F327-I405 VanDerWaalsContact CD2-CG1 3.5Å; F327-I405 HydrophobicContact CE1-CD1 4.34Å; F327-I405 HydrophobicContact CE2-CD1 3.74Å; F327-I405 HydrophobicContact CE2-CG1 3.54Å; F327-I405 HydrophobicContact CG-CD1 4.24Å; F327-I405 HydrophobicContact CG-CG1 4.21Å; F327-I405 HydrophobicContact CZ-CD1 4Å; F327-I405 HydrophobicContact CZ-CG1 4.32Å
328	K	96.3	Very high	89.2	Confident	97 Å²	97	59.2 Å²	59.2	42%	0.422	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.7	168.9	-57.1	164.4	-169.3	156.4	0	107.5	Y313 Y341 Y342 D343	Y313-K328 HydrophobicContact CD1-CG 4.38Å; Y313-K328 HydrophobicContact CE1-CG 3.91Å; K328-Y341 WeakPolarHBondContact O-CA 3.24Å; K328-Y342 HydrophobicContact CB-CD2 4.34Å; K328-Y342 PolarHBondContact O-N 3.41Å; K328-D343 IonicContact NZ-OD2 3.85Å; K328-D343 PolarHBondContact NZ-OD2 2.84Å
329	E	95.8	Very high	90.4	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.9	179.3	176.5	179.7	78.7	0	0	109.1	C311 R312 H314 V339 R340 Y341	C311-E329 CarbonylContact C-O 3.6Å; C311-E329 VanDerWaalsContact CA-O 3.22Å; C311-E329 WeakPolarHBondContact CA-O 3.2Å; R312-E329 VanDerWaalsContact CD-OE1 3.23Å; R312-E329 WeakPolarHBondContact CD-OE1 3.36Å; R312-E329 HydrophobicContact CG-CB 4.07Å; R312-E329 HydrophobicContact CG-CG 4.23Å; R312-E329 VanDerWaalsContact CG-OE1 3.23Å; R312-E329 WeakPolarHBondContact CG-OE1 3.22Å; R312-E329 IonicContact CZ-OE1 2.72Å; R312-E329 PolarHBondContact N-O 3.41Å; R312-E329 IonicContact NE-OE1 3.24Å; R312-E329 PolarHBondContact NE-OE1 2.65Å; R312-E329 IonicContact NH1-OE1 2.75Å; R312-E329 PolarHBondContact NH1-OE1 2.73Å; R312-E329 IonicContact NH2-OE1 2.8Å; R312-E329 PolarHBondContact O-N 2.78Å; H314-E329 HydrophobicContact CB-CB 4.01Å; H314-E329 IonicContact CG-OE2 2.74Å; E329-V339 HydrophobicContact CG-CB 4.33Å; E329-R340 CarbonylContact C-O 3.56Å; E329-R340 WeakPolarHBondContact CA-O 3.21Å; E329-Y341 HydrophobicContact CB-CD1 4.01Å; E329-Y341 HydrophobicContact CB-CE1 3.96Å; E329-Y341 HydrophobicContact CG-CD1 4.28Å; E329-Y341 HydrophobicContact CG-CE1 3.88Å; E329-Y341 WeakPolarHBondContact OE2-CE1 3.34Å; E329-Y341 PolarHBondContact OE2-OH 3.12Å
330	E	95.8	Very high	91.3	Very high	65 Å²	65	49.1 Å²	49.1	30%	0.304	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.4	174.5	177.3	167.4	178.8	0	0	109.8	E332 V339 R340 Y342	E330-E332 PolarHBondContact O-N 3.26Å; E330-V339 CarbonylContact O-C 3.59Å; E330-V339 WeakPolarHBondContact O-CA 3.36Å; E330-R340 PolarHBondContact N-O 3.35Å; E330-R340 PolarHBondContact O-N 2.97Å; E330-Y342 HydrophobicContact CB-CE2 3.85Å; E330-Y342 WeakPolarHBondContact OE2-CE2 3.34Å; E330-Y342 PolarHBondContact OE2-OH 3.5Å
331	D	94.6	Very high	91.9	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.059	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	112	175.2	-58.3	-29.6	0	0	0	110	L309 F310 R312 H337	L309-D331 HydrophobicContact CB-CB 3.99Å; L309-D331 HydrophobicContact CD2-CB 3.63Å; L309-D331 HydrophobicContact CG-CB 4.37Å; F310-D331 PolarHBondContact N-OD2 3.01Å; F310-D331 PolarHBondContact O-N 3.26Å; R312-D331 IonicContact CZ-OD1 3.04Å; R312-D331 IonicContact NE-OD1 3.66Å; R312-D331 IonicContact NH2-OD1 3.64Å; R312-D331 PolarHBondContact NH2-OD1 2.81Å; R312-D331 IonicContact NH2-OD2 3.42Å; R312-D331 PolarHBondContact NH2-OD2 2.9Å; D331-H337 IonicContact OD1-CE1 2.73Å; D331-H337 PolarHBondContact OD1-CE1 2.87Å; D331-H337 IonicContact OD1-NE2 2.78Å
332	E	93.1	Very high	92.6	Very high	41 Å²	41	42.2 Å²	42.2	19%	0.192	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-31.7	171.9	-70.3	-76.3	-168.5	0	0	110.8	E330 I338 R340 I476	E330-E332 PolarHBondContact O-N 3.26Å; E332-I338 HydrophobicContact CB-CB 4.36Å; E332-I338 HydrophobicContact CB-CG2 4.15Å; E332-I338 PolarHBondContact N-O 3.49Å; E332-R340 HydrophobicContact CG-CB 3.84Å; E332-R340 IonicContact OE1-CZ 2.79Å; E332-R340 IonicContact OE1-NE 3.99Å; E332-R340 PolarHBondContact OE1-NE 2.84Å; E332-R340 IonicContact OE1-NH2 3.9Å; E332-R340 PolarHBondContact OE1-NH2 2.97Å; E332-I476 HydrophobicContact CB-CD1 4.04Å; E332-I476 HydrophobicContact CB-CG1 4.42Å; E332-I476 HydrophobicContact CG-CD1 4.25Å; E332-I476 HydrophobicContact CG-CG2 4.37Å
333	W	92.3	Very high	93	Very high	12 Å²	12	46.6 Å²	46.6	5%	0.045	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	144.6	179.2	-155.3	-105.9	0	0	0	112.6	L301 R305 S335 H337 I338 L472 A474	L301-W333 HydrophobicContact CD1-CE3 3.94Å; L301-W333 HydrophobicContact CD1-CZ3 4.07Å; L301-W333 HydrophobicContact CD2-CD2 4.1Å; L301-W333 HydrophobicContact CD2-CE3 3.87Å; L301-W333 HydrophobicContact CD2-CH2 3.53Å; L301-W333 HydrophobicContact CD2-CZ2 3.76Å; L301-W333 HydrophobicContact CD2-CZ3 3.58Å; L301-W333 HydrophobicContact CG-CE3 3.92Å; L301-W333 HydrophobicContact CG-CH2 3.95Å; L301-W333 HydrophobicContact CG-CZ3 3.55Å; R305-W333 VanDerWaalsContact NH2-CE2 3.32Å; W333-S335 VanDerWaalsContact CD1-C 3.49Å; W333-S335 PolarHBondContact NE1-O 2.91Å; W333-H337 PolarHBondContact O-ND1 3.18Å; W333-I338 HydrophobicContact CB-CB 3.9Å; W333-I338 HydrophobicContact CB-CD1 3.92Å; W333-I338 HydrophobicContact CB-CG1 4.04Å; W333-I338 HydrophobicContact CG-CD1 4.42Å; W333-I338 PolarHBondContact N-O 2.9Å; W333-I338 VanDerWaalsContact N-O 3.09Å; W333-I338 PolarHBondContact O-N 3.11Å; W333-L472 WeakPolarHBondContact CH2-O 3.07Å; W333-L472 HydrophobicContact CZ2-CB 4.01Å; W333-L472 WeakPolarHBondContact CZ2-O 3.34Å; W333-A474 HydrophobicContact CD2-CB 3.98Å; W333-A474 HydrophobicContact CE3-CB 3.59Å; W333-A474 HydrophobicContact CH2-CB 4.23Å; W333-A474 HydrophobicContact CZ3-CB 3.73Å
334	D	88.9	Confident	93.5	Very high	34 Å²	34	42 Å²	42	18%	0.182	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-35.6	-175.3	65	-22.7	0	0	0	113.7	R305 L309	R305-D334 IonicContact CZ-OD1 3.45Å; R305-D334 VanDerWaalsContact CZ-OD1 3.3Å; R305-D334 IonicContact CZ-OD2 2.98Å; R305-D334 IonicContact NE-OD1 3.37Å; R305-D334 PolarHBondContact NE-OD1 3.27Å; R305-D334 VanDerWaalsContact NE-OD1 3.17Å; R305-D334 IonicContact NE-OD2 4Å; R305-D334 PolarHBondContact NE-OD2 2.89Å; R305-D334 VanDerWaalsContact NE-OD2 3.07Å; R305-D334 IonicContact NH2-OD1 2.72Å; R305-D334 PolarHBondContact NH2-OD1 3.21Å; R305-D334 IonicContact NH2-OD2 3.87Å; L309-D334 HydrophobicContact CD2-CB 4.07Å
335	S	88	Confident	94	Very high	57 Å²	57	35 Å²	35	40%	0.399	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-155.6	118.6	-179	174.7	0	0	0	0	112.8	W333 R498	W333-S335 VanDerWaalsContact CD1-C 3.49Å; W333-S335 PolarHBondContact NE1-O 2.91Å; S335-R498 PolarHBondContact OG-NH1 2.89Å
336	P	90.6	Very high	94.4	Very high	12 Å²	12	34.3 Å²	34.3	8%	0.078	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	cis	-58.4	155.2	-10.3	28.7	-34.8	0	0	0	110.7	I338 L472 R498 T499	P336-I338 PolarHBondContact O-N 2.03Å; P336-I338 VanDerWaalsContact O-N 3.16Å; P336-L472 HydrophobicContact CG-CD1 3.85Å; P336-R498 HydrophobicContact CG-CB 4.15Å; P336-T499 HydrophobicContact CB-CG2 4.35Å; P336-T499 HydrophobicContact CG-CG2 3.95Å
337	H	90.7	Very high	94.6	Very high	85 Å²	85	36.7 Å²	36.7	39%	0.394	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	114	-176.4	-164	47.7	0	0	0	109.9	R312 D331 W333 V339	R312-H337 PolarHBondContact NH2-CE1 3.15Å; R312-H337 VanDerWaalsContact NH2-CE1 3.34Å; R312-H337 PolarHBondContact NH2-NE2 2.87Å; R312-H337 VanDerWaalsContact NH2-NE2 3.16Å; D331-H337 IonicContact OD1-CE1 2.73Å; D331-H337 PolarHBondContact OD1-CE1 2.87Å; D331-H337 IonicContact OD1-NE2 2.78Å; W333-H337 PolarHBondContact O-ND1 3.18Å; H337-V339 WeakPolarHBondContact NE2-CG1 3.16Å
338	I	95.5	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.5	174.9	-53.4	170.3	0	0	0	106.9	E332 W333 P336 F469 L472 I476 V484 W486	E332-I338 HydrophobicContact CB-CB 4.36Å; E332-I338 HydrophobicContact CB-CG2 4.15Å; E332-I338 PolarHBondContact N-O 3.49Å; W333-I338 HydrophobicContact CB-CB 3.9Å; W333-I338 HydrophobicContact CB-CD1 3.92Å; W333-I338 HydrophobicContact CB-CG1 4.04Å; W333-I338 HydrophobicContact CG-CD1 4.42Å; W333-I338 PolarHBondContact N-O 2.9Å; W333-I338 VanDerWaalsContact N-O 3.09Å; W333-I338 PolarHBondContact O-N 3.11Å; P336-I338 PolarHBondContact O-N 2.03Å; P336-I338 VanDerWaalsContact O-N 3.16Å; I338-F469 HydrophobicContact CD1-CD1 4.03Å; I338-F469 HydrophobicContact CD1-CD2 3.95Å; I338-F469 HydrophobicContact CD1-CE1 3.91Å; I338-F469 HydrophobicContact CD1-CE2 3.85Å; I338-F469 HydrophobicContact CD1-CG 4.05Å; I338-F469 HydrophobicContact CD1-CZ 3.83Å; I338-L472 HydrophobicContact CD1-CD1 3.92Å; I338-I476 HydrophobicContact CG2-CD1 3.59Å; I338-V484 HydrophobicContact CG2-CG1 3.65Å; I338-W486 HydrophobicContact CG1-CB 4.17Å
339	V	96.3	Very high	94.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.9	-174.8	-63.4	0	0	0	0	110.9	E329 E330 H337 Y341 V484 F485	E329-V339 HydrophobicContact CG-CB 4.33Å; E330-V339 CarbonylContact O-C 3.59Å; E330-V339 WeakPolarHBondContact O-CA 3.36Å; H337-V339 WeakPolarHBondContact NE2-CG1 3.16Å; V339-Y341 HydrophobicContact CG2-CD2 4.48Å; V339-Y341 HydrophobicContact CG2-CE2 3.65Å; V339-V484 WeakPolarHBondContact O-CA 3.41Å; V339-F485 HydrophobicContact CG2-CB 3.95Å; V339-F485 HydrophobicContact CG2-CD1 3.95Å; V339-F485 HydrophobicContact CG2-CG 4.46Å; V339-F485 PolarHBondContact N-O 3.02Å; V339-F485 VanDerWaalsContact N-O 3.09Å; V339-F485 PolarHBondContact O-N 3.29Å
340	R	97.8	Very high	95	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.045	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.3	168.6	-175.5	-175.6	-62.5	-108	10.4	110.2	E329 E330 E332 Y342 W477 T482 A483	E329-R340 CarbonylContact C-O 3.56Å; E329-R340 WeakPolarHBondContact CA-O 3.21Å; E330-R340 PolarHBondContact N-O 3.35Å; E330-R340 PolarHBondContact O-N 2.97Å; E332-R340 HydrophobicContact CG-CB 3.84Å; E332-R340 IonicContact OE1-CZ 2.79Å; E332-R340 IonicContact OE1-NE 3.99Å; E332-R340 PolarHBondContact OE1-NE 2.84Å; E332-R340 IonicContact OE1-NH2 3.9Å; E332-R340 PolarHBondContact OE1-NH2 2.97Å; R340-Y342 VanDerWaalsContact CD-CZ 3.49Å; R340-Y342 WeakPolarHBondContact CD-OH 3.42Å; R340-Y342 HydrophobicContact CG-CE2 4.13Å; R340-W477 PolarHBondContact NH1-O 2.89Å; R340-W477 VanDerWaalsContact NH1-O 3.15Å; R340-W477 PolarHBondContact NH2-O 3.01Å; R340-T482 PolarHBondContact NH1-OG1 3.09Å; R340-A483 CarbonylContact C-O 3.58Å; R340-A483 VanDerWaalsContact CA-O 3.25Å; R340-A483 WeakPolarHBondContact CA-O 3.31Å; R340-A483 WeakPolarHBondContact CG-O 3.34Å
341	Y	97.4	Very high	95.1	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.8	167.1	-59	-78.1	0	0	0	110.2	H314 F327 K328 E329 V339 V344 I405 F454 T482 A483 F485	H314-Y341 HydrophobicContact CB-CE1 4.21Å; H314-Y341 AromaticContact CD2-CE1 3.63Å; F327-Y341 HydrophobicContact CB-CD1 4.36Å; K328-Y341 WeakPolarHBondContact O-CA 3.24Å; E329-Y341 HydrophobicContact CB-CD1 4.01Å; E329-Y341 HydrophobicContact CB-CE1 3.96Å; E329-Y341 HydrophobicContact CG-CD1 4.28Å; E329-Y341 HydrophobicContact CG-CE1 3.88Å; E329-Y341 WeakPolarHBondContact OE2-CE1 3.34Å; E329-Y341 PolarHBondContact OE2-OH 3.12Å; V339-Y341 HydrophobicContact CG2-CD2 4.48Å; V339-Y341 HydrophobicContact CG2-CE2 3.65Å; Y341-V344 VanDerWaalsContact CB-CG2 3.41Å; Y341-I405 HydrophobicContact CD1-CG2 3.93Å; Y341-I405 HydrophobicContact CD2-CG2 3.79Å; Y341-I405 HydrophobicContact CE1-CG2 3.62Å; Y341-I405 HydrophobicContact CE2-CG2 3.48Å; Y341-I405 VanDerWaalsContact CE2-CG2 3.48Å; Y341-I405 HydrophobicContact CG-CG2 3.99Å; Y341-F454 HydrophobicContact CD2-CE2 4.05Å; Y341-F454 HydrophobicContact CD2-CZ 4.18Å; Y341-F454 HydrophobicContact CE2-CE2 4.11Å; Y341-T482 CarbonylContact O-C 3.49Å; Y341-T482 WeakPolarHBondContact O-CA 3.37Å; Y341-T482 VanDerWaalsContact O-CB 3.31Å; Y341-T482 WeakPolarHBondContact O-CB 3.46Å; Y341-A483 PolarHBondContact N-O 3.14Å; Y341-A483 PolarHBondContact O-N 3.07Å; Y341-F485 HydrophobicContact CD2-CB 4.45Å; Y341-F485 HydrophobicContact CE2-CB 3.85Å; Y341-F485 HydrophobicContact CE2-CG 4.45Å
342	Y	97.3	Very high	95.2	Very high	42 Å²	42	43.3 Å²	43.3	17%	0.165	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	155.4	176	-64.9	-98.9	0	0	0	111.8	K328 E330 R340 V344 K479 T482	K328-Y342 HydrophobicContact CB-CD2 4.34Å; K328-Y342 PolarHBondContact O-N 3.41Å; E330-Y342 HydrophobicContact CB-CE2 3.85Å; E330-Y342 WeakPolarHBondContact OE2-CE2 3.34Å; E330-Y342 PolarHBondContact OE2-OH 3.5Å; R340-Y342 VanDerWaalsContact CD-CZ 3.49Å; R340-Y342 WeakPolarHBondContact CD-OH 3.42Å; R340-Y342 HydrophobicContact CG-CE2 4.13Å; Y342-V344 PolarHBondContact O-N 2.88Å; Y342-K479 HydrophobicContact CD1-CD 4.47Å; Y342-K479 HydrophobicContact CE1-CD 3.97Å; Y342-T482 HydrophobicContact CD1-CG2 3.55Å; Y342-T482 HydrophobicContact CE1-CG2 3.93Å; Y342-T482 HydrophobicContact CG-CG2 4.2Å
343	D	95.3	Very high	95.4	Very high	102 Å²	102	41.4 Å²	41.4	55%	0.545	21%	0.206	S	C	.	.	S	Bend	trans	56.6	35.6	174.8	-47.3	-37.3	0	0	0	112.2	K328 G481	K328-D343 IonicContact NZ-OD2 3.85Å; K328-D343 PolarHBondContact NZ-OD2 2.84Å; D343-G481 PolarHBondContact N-O 2.96Å
344	V	95.9	Very high	95.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	21%	0.21	C	C	.	.			trans	-75.2	-34.6	-177.9	179.8	0	0	0	0	111.2	Y341 Y342 R401 I405 F454 G481 A483	Y341-V344 VanDerWaalsContact CB-CG2 3.41Å; Y342-V344 PolarHBondContact O-N 2.88Å; V344-R401 WeakPolarHBondContact O-CD 3.49Å; V344-R401 PolarHBondContact O-NE 3.36Å; V344-R401 PolarHBondContact O-NH1 3.11Å; V344-I405 HydrophobicContact CG1-CD1 4.05Å; V344-I405 HydrophobicContact CG2-CD1 4.4Å; V344-F454 HydrophobicContact CG1-CE1 4.12Å; V344-F454 HydrophobicContact CG1-CZ 4.23Å; V344-G481 PolarHBondContact N-O 3.08Å; V344-A483 HydrophobicContact CB-CB 4.22Å; V344-A483 HydrophobicContact CG1-CB 4.19Å; V344-A483 HydrophobicContact CG2-CB 3.89Å
345	M	96.7	Very high	95.7	Very high	8 Å²	8	46 Å²	46	4%	0.039	23%	0.227	C	C	.	.	S	Bend	trans	-130.5	136.1	177.3	-63.1	179.9	65.1	0	0	110	I350 I353 V398 N456 M458 G481	M345-I350 HydrophobicContact CB-CD1 4.08Å; M345-I350 HydrophobicContact CB-CG1 3.84Å; M345-I350 HydrophobicContact CE-CG1 3.95Å; M345-I353 HydrophobicContact CE-CD1 3.38Å; M345-V398 HydrophobicContact CE-CG1 4.4Å; M345-V398 HydrophobicContact CE-CG2 4.2Å; M345-V398 HydrophobicContact SD-CG1 4.33Å; M345-N456 HydrophobicContact SD-CB 3.64Å; M345-M458 HydrophobicContact CE-CG 4.44Å; M345-M458 HydrophobicContact CE-SD 3.97Å; M345-M458 HydrophobicContact SD-CG 4.36Å; M345-M458 HydrophobicContact SD-SD 4.44Å; M345-G481 PolarHBondContact N-O 2.72Å
346	S	97.1	Very high	96	Very high	49 Å²	49	44.5 Å²	44.5	34%	0.343	21%	0.214	S	C	.	.			trans	-78.7	160.8	172	56	0	0	0	0	111.5	E348 E349 I350	S346-E348 VanDerWaalsContact C-N 3.28Å; S346-E348 WeakPolarHBondContact CB-OE2 3.48Å; S346-E348 PolarHBondContact O-N 3.22Å; S346-E349 PolarHBondContact N-OE2 3.21Å; S346-E349 PolarHBondContact O-N 3.4Å; S346-E349 WeakPolarHBondContact OG-CG 3.16Å; S346-E349 PolarHBondContact OG-N 3.2Å; S346-E349 PolarHBondContact OG-OE2 2.71Å; S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 2.92Å; S346-I350 PolarHBondContact O-N 2.93Å
347	D	97.9	Very high	96.1	Very high	90 Å²	90	44 Å²	44	48%	0.481	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-39.8	178.1	-77.9	-23.3	0	0	0	111.8	E349 I350 E351 K480	D347-E349 PolarHBondContact O-N 2.83Å; D347-I350 PolarHBondContact O-N 2.82Å; D347-E351 WeakPolarHBondContact O-CG 3.36Å; D347-E351 PolarHBondContact O-N 2.7Å; D347-K480 WeakPolarHBondContact OD1-CE 3.31Å; D347-K480 IonicContact OD1-NZ 2.73Å; D347-K480 PolarHBondContact OD1-NZ 3.36Å; D347-K480 IonicContact OD2-NZ 3.92Å
348	E	98.1	Very high	96	Very high	147 Å²	147	42.9 Å²	42.9	69%	0.687	21%	0.205	S	C	*	.	H	α-helix	trans	-64.8	-40.2	178.2	-60.6	79.9	-175.5	0	0	111.9	S346 R352	S346-E348 VanDerWaalsContact C-N 3.28Å; S346-E348 WeakPolarHBondContact CB-OE2 3.48Å; S346-E348 PolarHBondContact O-N 3.22Å; E348-R352 WeakPolarHBondContact O-CB 3.47Å; E348-R352 PolarHBondContact O-N 3.36Å; E348-R352 VanDerWaalsContact O-N 3.09Å
349	E	98.1	Very high	95.6	Very high	19 Å²	19	48.1 Å²	48.1	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-40.2	176.4	-69.2	178	140	0	0	111.7	S346 D347 I353 V394 R397 R401	S346-E349 PolarHBondContact N-OE2 3.21Å; S346-E349 PolarHBondContact O-N 3.4Å; S346-E349 WeakPolarHBondContact OG-CG 3.16Å; S346-E349 PolarHBondContact OG-N 3.2Å; S346-E349 PolarHBondContact OG-OE2 2.71Å; D347-E349 PolarHBondContact O-N 2.83Å; E349-I353 WeakPolarHBondContact O-CB 3.06Å; E349-I353 WeakPolarHBondContact O-CG1 3.4Å; E349-I353 PolarHBondContact O-N 2.73Å; E349-V394 HydrophobicContact CB-CG2 3.69Å; E349-V394 HydrophobicContact CG-CG2 3.65Å; E349-R397 IonicContact OE1-NE 2.82Å; E349-R401 IonicContact OE1-CZ 3.19Å; E349-R401 IonicContact OE1-NH1 3.31Å; E349-R401 IonicContact OE1-NH2 2.82Å; E349-R401 PolarHBondContact OE1-NH2 3.37Å; E349-R401 IonicContact OE2-CZ 3.3Å; E349-R401 IonicContact OE2-NH1 3.13Å; E349-R401 PolarHBondContact OE2-NH1 2.87Å; E349-R401 IonicContact OE2-NH2 2.69Å; E349-R401 PolarHBondContact OE2-NH2 3.03Å
350	I	97.9	Very high	95.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-51.9	177.5	-75.5	168.1	0	0	0	110.7	M345 S346 D347 R352 I353 K354 M458 K480	M345-I350 HydrophobicContact CB-CD1 4.08Å; M345-I350 HydrophobicContact CB-CG1 3.84Å; M345-I350 HydrophobicContact CE-CG1 3.95Å; S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 2.92Å; S346-I350 PolarHBondContact O-N 2.93Å; D347-I350 PolarHBondContact O-N 2.82Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.23Å; I350-I353 PolarHBondContact O-N 3.18Å; I350-K354 HydrophobicContact CG2-CD 4.23Å; I350-K354 WeakPolarHBondContact O-CG 3.48Å; I350-K354 PolarHBondContact O-N 2.74Å; I350-M458 HydrophobicContact CG1-CB 4.36Å; I350-M458 HydrophobicContact CG1-CG 4.21Å; I350-M458 HydrophobicContact CG2-CB 3.87Å; I350-M458 HydrophobicContact CG2-CG 4.45Å; I350-M458 VanDerWaalsContact CG2-O 3.28Å; I350-M458 WeakPolarHBondContact CG2-O 3.35Å; I350-K480 HydrophobicContact CD1-CG 3.89Å
351	E	96.9	Very high	94.5	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-40.2	-177.8	-66	-49	127.7	0	0	111.2	D347 I353 K354 E355	D347-E351 WeakPolarHBondContact O-CG 3.36Å; D347-E351 PolarHBondContact O-N 2.7Å; E351-I353 VanDerWaalsContact C-N 3.33Å; E351-I353 PolarHBondContact O-N 2.81Å; E351-K354 PolarHBondContact O-N 3.19Å; E351-K354 VanDerWaalsContact O-N 3.17Å; E351-K354 IonicContact OE1-NZ 3.81Å; E351-K354 PolarHBondContact OE1-NZ 3.05Å; E351-E355 WeakPolarHBondContact O-CG 3.34Å; E351-E355 PolarHBondContact O-N 2.82Å
352	R	97.3	Very high	93.6	Very high	106 Å²	106	54.8 Å²	54.8	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-42.5	175.2	-175.2	59.2	-178.1	156.1	5.2	112.4	E348 I350 E355 I356 D392 V394	E348-R352 WeakPolarHBondContact O-CB 3.47Å; E348-R352 PolarHBondContact O-N 3.36Å; E348-R352 VanDerWaalsContact O-N 3.09Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.23Å; R352-E355 IonicContact NH1-OE2 3.84Å; R352-E355 PolarHBondContact NH1-OE2 3.02Å; R352-E355 PolarHBondContact O-N 3.28Å; R352-I356 HydrophobicContact CG-CD1 4.02Å; R352-I356 VanDerWaalsContact O-CD1 3.3Å; R352-I356 WeakPolarHBondContact O-CD1 3.44Å; R352-I356 WeakPolarHBondContact O-CG1 3.35Å; R352-I356 PolarHBondContact O-N 3.48Å; R352-D392 IonicContact CZ-OD2 3.72Å; R352-D392 VanDerWaalsContact CZ-OD2 3.25Å; R352-D392 IonicContact NE-OD2 3.41Å; R352-D392 PolarHBondContact NE-OD2 2.8Å; R352-D392 IonicContact NH2-OD2 3.58Å; R352-D392 PolarHBondContact NH2-OD2 2.99Å; R352-V394 HydrophobicContact CB-CG1 4.4Å; R352-V394 HydrophobicContact CG-CB 4.41Å; R352-V394 HydrophobicContact CG-CG1 3.87Å
353	I	97.2	Very high	92.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-41.7	176.7	-76.5	167.1	0	0	0	111.1	M345 E349 I350 E351 I356 A357 L387 V394 V398 L416 V418 M458	M345-I353 HydrophobicContact CE-CD1 3.38Å; E349-I353 WeakPolarHBondContact O-CB 3.06Å; E349-I353 WeakPolarHBondContact O-CG1 3.4Å; E349-I353 PolarHBondContact O-N 2.73Å; I350-I353 PolarHBondContact O-N 3.18Å; E351-I353 VanDerWaalsContact C-N 3.33Å; E351-I353 PolarHBondContact O-N 2.81Å; I353-I356 PolarHBondContact O-N 3.25Å; I353-A357 WeakPolarHBondContact O-CB 3.28Å; I353-A357 PolarHBondContact O-N 3.44Å; I353-L387 HydrophobicContact CG2-CD1 4Å; I353-V394 HydrophobicContact CD1-CG1 4.36Å; I353-V394 HydrophobicContact CD1-CG2 4.26Å; I353-V394 HydrophobicContact CG1-CG1 3.73Å; I353-V394 HydrophobicContact CG1-CG2 4.34Å; I353-V398 HydrophobicContact CD1-CG2 4.09Å; I353-L416 HydrophobicContact CD1-CD2 4.33Å; I353-V418 HydrophobicContact CG2-CG2 3.67Å; I353-M458 HydrophobicContact CG2-CE 4.17Å; I353-M458 HydrophobicContact CG2-SD 3.92Å
354	K	94.4	Very high	90.8	Very high	27 Å²	27	50 Å²	50	12%	0.117	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-42.5	175.9	-71.6	175.1	-174.5	163.4	0	112.2	I350 E351 I356 A357 K358 M458 W512	I350-K354 HydrophobicContact CG2-CD 4.23Å; I350-K354 WeakPolarHBondContact O-CG 3.48Å; I350-K354 PolarHBondContact O-N 2.74Å; E351-K354 PolarHBondContact O-N 3.19Å; E351-K354 VanDerWaalsContact O-N 3.17Å; E351-K354 IonicContact OE1-NZ 3.81Å; E351-K354 PolarHBondContact OE1-NZ 3.05Å; K354-I356 PolarHBondContact O-N 3.46Å; K354-A357 PolarHBondContact O-N 3.41Å; K354-K358 WeakPolarHBondContact O-CB 3.3Å; K354-K358 PolarHBondContact O-N 2.99Å; K354-M458 WeakPolarHBondContact CE-O 3.46Å; K354-M458 PolarHBondContact NZ-O 3.44Å; K354-W512 HydrophobicContact CD-CD2 4.22Å; K354-W512 HydrophobicContact CD-CG 4.3Å; K354-W512 HydrophobicContact CG-CD2 4.04Å; K354-W512 HydrophobicContact CG-CE3 3.95Å; K354-W512 HydrophobicContact CG-CG 4.47Å; K354-W512 HydrophobicContact CG-CZ3 4.27Å
355	E	93.6	Very high	89.2	Confident	117 Å²	117	52.7 Å²	52.7	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-57.9	-46.1	177.8	-74.9	173.4	-179.2	0	0	112.3	E351 R352 P359	E351-E355 WeakPolarHBondContact O-CG 3.34Å; E351-E355 PolarHBondContact O-N 2.82Å; R352-E355 IonicContact NH1-OE2 3.84Å; R352-E355 PolarHBondContact NH1-OE2 3.02Å; R352-E355 PolarHBondContact O-N 3.28Å; E355-P359 WeakPolarHBondContact O-CD 3.4Å
356	I	94.8	Very high	87.4	Confident	25 Å²	25	52.7 Å²	52.7	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-74.4	-32.7	-178.7	-56.1	155.4	0	0	0	110.8	R352 I353 K354 P359 L387 D391 D392 V394	R352-I356 HydrophobicContact CG-CD1 4.02Å; R352-I356 VanDerWaalsContact O-CD1 3.3Å; R352-I356 WeakPolarHBondContact O-CD1 3.44Å; R352-I356 WeakPolarHBondContact O-CG1 3.35Å; R352-I356 PolarHBondContact O-N 3.48Å; I353-I356 PolarHBondContact O-N 3.25Å; K354-I356 PolarHBondContact O-N 3.46Å; I356-P359 WeakPolarHBondContact O-CD 3.33Å; I356-L387 HydrophobicContact CG2-CD2 3.97Å; I356-D391 HydrophobicContact CG2-CB 4.47Å; I356-D392 HydrophobicContact CD1-CB 3.31Å; I356-V394 HydrophobicContact CD1-CG1 4.4Å
357	A	92.3	Very high	85.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.8	-42.1	178.3	0	0	0	0	0	113.2	I353 K354 K360 L361 S385 L387 V418	I353-A357 WeakPolarHBondContact O-CB 3.28Å; I353-A357 PolarHBondContact O-N 3.44Å; K354-A357 PolarHBondContact O-N 3.41Å; A357-K360 CarbonylContact O-C 3.58Å; A357-K360 WeakPolarHBondContact O-CA 3.39Å; A357-K360 PolarHBondContact O-N 2.76Å; A357-L361 PolarHBondContact O-N 3.12Å; A357-L361 VanDerWaalsContact O-N 3.12Å; A357-S385 VanDerWaalsContact CB-OG 3.31Å; A357-S385 WeakPolarHBondContact CB-OG 3.33Å; A357-L387 HydrophobicContact CB-CD1 4.41Å; A357-V418 HydrophobicContact CB-CB 3.87Å; A357-V418 HydrophobicContact CB-CG1 3.64Å; A357-V418 HydrophobicContact CB-CG2 4.14Å
358	K	88.4	Confident	83.3	Confident	63 Å²	63	54 Å²	54	27%	0.274	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-47.5	-50.6	-174.1	-169.2	179.6	175.5	-173.5	0	113.5	G28 D32 K354 K360 L361	G28-K358 VanDerWaalsContact O-CE 3.24Å; G28-K358 WeakPolarHBondContact O-CE 2.98Å; G28-K358 PolarHBondContact O-NZ 2.86Å; D32-K358 IonicContact OD1-NZ 3.96Å; D32-K358 PolarHBondContact OD1-NZ 3.39Å; D32-K358 IonicContact OD2-NZ 3.16Å; D32-K358 PolarHBondContact OD2-NZ 3.29Å; K354-K358 WeakPolarHBondContact O-CB 3.3Å; K354-K358 PolarHBondContact O-N 2.99Å; K358-K360 PolarHBondContact O-N 3.31Å; K358-L361 WeakPolarHBondContact O-CB 3.41Å; K358-L361 PolarHBondContact O-N 2.96Å
359	P	87.1	Confident	81	Confident	110 Å²	110	52.2 Å²	52.2	71%	0.714	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-70.5	-17.8	180	28.6	-36.4	0	0	0	114	E355 I356	E355-P359 WeakPolarHBondContact O-CD 3.4Å; I356-P359 WeakPolarHBondContact O-CD 3.33Å
360	K	87.5	Confident	78.8	Confident	89 Å²	89	60.9 Å²	60.9	39%	0.387	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-96.5	-0.7	178.9	-60.8	-175.6	-177	-170.5	0	112.7	A357 K358 A362 S385 L387 D391	A357-K360 CarbonylContact O-C 3.58Å; A357-K360 WeakPolarHBondContact O-CA 3.39Å; A357-K360 PolarHBondContact O-N 2.76Å; K358-K360 PolarHBondContact O-N 3.31Å; K360-A362 PolarHBondContact O-N 3.29Å; K360-S385 WeakPolarHBondContact O-CB 3.4Å; K360-L387 HydrophobicContact CD-CD2 4.04Å; K360-D391 IonicContact NZ-OD1 3.22Å; K360-D391 PolarHBondContact NZ-OD1 3.41Å; K360-D391 IonicContact NZ-OD2 2.85Å; K360-D391 PolarHBondContact NZ-OD2 3.18Å
361	L	82.6	Confident	76.6	Confident	15 Å²	15	65.2 Å²	65.2	8%	0.079	33%	0.33	C	S	.	.			trans	-68.4	112	-178.7	-78.1	-179.2	0	0	0	110.8	A357 K358 K383 N420 W512	A357-L361 PolarHBondContact O-N 3.12Å; A357-L361 VanDerWaalsContact O-N 3.12Å; K358-L361 WeakPolarHBondContact O-CB 3.41Å; K358-L361 PolarHBondContact O-N 2.96Å; L361-K383 HydrophobicContact CB-CB 4.02Å; L361-K383 HydrophobicContact CB-CD 4.28Å; L361-K383 HydrophobicContact CD1-CB 4.49Å; L361-K383 HydrophobicContact CD2-CB 4.09Å; L361-K383 HydrophobicContact CG-CB 4.44Å; L361-N420 HydrophobicContact CD1-CB 4.09Å; L361-W512 HydrophobicContact CD1-CH2 3.63Å; L361-W512 HydrophobicContact CD1-CZ3 4.08Å
362	A	78.8	Confident	74.4	Confident	59 Å²	59	62.6 Å²	62.6	49%	0.488	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	159.7	171.8	0	0	0	0	0	110.3	K360 A364 K383 S384	K360-A362 PolarHBondContact O-N 3.29Å; A362-A364 PolarHBondContact O-N 2.9Å; A362-K383 CarbonylContact O-C 3.5Å; A362-K383 WeakPolarHBondContact O-CA 3.32Å; A362-K383 WeakPolarHBondContact O-CB 3.14Å; A362-S384 PolarHBondContact N-O 2.89Å; A362-S384 VanDerWaalsContact N-O 3.11Å; A362-S384 PolarHBondContact O-N 2.72Å
363	R	72.8	Confident	72.4	Confident	44 Å²	44	61.8 Å²	61.8	17%	0.166	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	126.8	173.8	-175.3	52.8	166.9	173.8	-12.9	109.3	E22 T25 T365 V376 V381 S382	E22-R363 WeakPolarHBondContact OE2-CD 3.19Å; E22-R363 IonicContact OE2-CZ 3.67Å; E22-R363 IonicContact OE2-NE 3.97Å; E22-R363 PolarHBondContact OE2-NE 2.88Å; E22-R363 IonicContact OE2-NH1 3.15Å; E22-R363 IonicContact OE2-NH2 2.73Å; E22-R363 PolarHBondContact OE2-NH2 2.82Å; T25-R363 VanDerWaalsContact CG2-CZ 3.46Å; R363-T365 PolarHBondContact O-N 3.12Å; R363-V376 HydrophobicContact CG-CB 4.47Å; R363-V376 HydrophobicContact CG-CG1 3.75Å; R363-V376 HydrophobicContact CG-CG2 3.88Å; R363-V381 VanDerWaalsContact NH1-C 3.34Å; R363-V381 VanDerWaalsContact NH1-CA 3.3Å; R363-S382 PolarHBondContact NH1-O 3.11Å
364	A	60.7	Low	70.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-65.2	119.8	-178.8	0	0	0	0	0	109.8	A362 R380 S382	A362-A364 PolarHBondContact O-N 2.9Å; A364-R380 HydrophobicContact CB-CG 4.28Å; A364-S382 WeakPolarHBondContact CB-O 3.42Å; A364-S382 WeakPolarHBondContact CB-OG 3.3Å; A364-S382 PolarHBondContact N-O 3.36Å; A364-S382 VanDerWaalsContact N-O 3.09Å
365	T	63.8	Low	67.9	Low	59 Å²	59	68.4 Å²	68.4	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	150.4	173.6	54.8	0	0	0	0	110.4	R363 T375 R380	R363-T365 PolarHBondContact O-N 3.12Å; T365-T375 CarbonylContact C-O 3.53Å; T365-T375 WeakPolarHBondContact CA-O 3.41Å; T365-R380 PolarHBondContact O-NH1 2.66Å
366	V	57.7	Low	66.3	Low	8 Å²	8	66.8 Å²	66.8	5%	0.048	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.6	172.1	-63.7	0	0	0	0	108.4	D368 L374 T375 A377 Y379 R380	V366-D368 PolarHBondContact O-N 2.8Å; V366-L374 CarbonylContact O-C 3.53Å; V366-L374 WeakPolarHBondContact O-CA 3.37Å; V366-T375 WeakPolarHBondContact CG2-O 3.43Å; V366-T375 PolarHBondContact N-O 3.44Å; V366-T375 PolarHBondContact O-N 2.86Å; V366-A377 HydrophobicContact CB-CB 4.46Å; V366-A377 HydrophobicContact CG1-CB 4.35Å; V366-A377 HydrophobicContact CG2-CB 3.32Å; V366-Y379 HydrophobicContact CB-CE2 4.3Å; V366-Y379 HydrophobicContact CG1-CE2 3.79Å; V366-Y379 HydrophobicContact CG2-CE1 4.41Å; V366-Y379 HydrophobicContact CG2-CE2 4.29Å; V366-Y379 VanDerWaalsContact CG2-OH 3.27Å; V366-Y379 WeakPolarHBondContact CG2-OH 3.37Å; V366-R380 HydrophobicContact CG1-CB 4.03Å
367	R	54.3	Low	64.5	Low	122 Å²	122	66.1 Å²	66.1	46%	0.46	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116	174.9	-166.2	171.3	-173.2	-120.2	-0.9	108.6	G372 L374	R367-G372 WeakPolarHBondContact CG-O 3.47Å; R367-G372 PolarHBondContact NE-O 3.01Å; R367-L374 HydrophobicContact CB-CD2 4.31Å
368	D	55	Low	62.9	Low	43 Å²	43	70.4 Å²	70.4	23%	0.23	40%	0.395	C	S	.	.			trans	-59.7	124.7	176.6	-179.2	-53.7	0	0	0	109.4	V366 K370 T371 G372 V373 T375	V366-D368 PolarHBondContact O-N 2.8Å; D368-K370 VanDerWaalsContact C-N 3.27Å; D368-K370 PolarHBondContact O-N 2.82Å; D368-K370 WeakPolarHBondContact OD1-CA 3.42Å; D368-K370 WeakPolarHBondContact OD1-CB 3.42Å; D368-K370 PolarHBondContact OD1-N 2.84Å; D368-T371 VanDerWaalsContact CB-OG1 3.25Å; D368-T371 WeakPolarHBondContact CB-OG1 3.39Å; D368-T371 PolarHBondContact OD1-N 3.01Å; D368-T371 PolarHBondContact OD1-OG1 2.87Å; D368-G372 WeakPolarHBondContact O-CA 3.47Å; D368-G372 PolarHBondContact O-N 3.44Å; D368-V373 WeakPolarHBondContact CB-O 3.34Å; D368-V373 PolarHBondContact N-O 2.93Å; D368-T375 HydrophobicContact CB-CG2 4.39Å
369	P	49.5	Very low	61.5	Low	110 Å²	110	70.9 Å²	70.9	71%	0.714	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.1	-175.3	24.9	-32	0	0	0	113.6
370	K	51.7	Low	60.3	Low	201 Å²	201	66.3 Å²	66.3	87%	0.874	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-42.9	178.3	-63.7	-179.9	180	176.5	0	111.9	D368	D368-K370 VanDerWaalsContact C-N 3.27Å; D368-K370 PolarHBondContact O-N 2.82Å; D368-K370 WeakPolarHBondContact OD1-CA 3.42Å; D368-K370 WeakPolarHBondContact OD1-CB 3.42Å; D368-K370 PolarHBondContact OD1-N 2.84Å
371	T	52.6	Low	59.7	Low	91 Å²	91	62.3 Å²	62.3	56%	0.558	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-19.8	-172.7	67.9	0	0	0	0	113.4	D368 V373	D368-T371 VanDerWaalsContact CB-OG1 3.25Å; D368-T371 WeakPolarHBondContact CB-OG1 3.39Å; D368-T371 PolarHBondContact OD1-N 3.01Å; D368-T371 PolarHBondContact OD1-OG1 2.87Å; T371-V373 PolarHBondContact O-N 2.77Å
372	G	50.8	Low	59.3	Low	26 Å²	26	61.6 Å²	61.6	27%	0.268	34%	0.344	S	S	.	.			trans	72.2	3.7	-177.5	0	0	0	0	0	114.6	R367 D368	R367-G372 WeakPolarHBondContact CG-O 3.47Å; R367-G372 PolarHBondContact NE-O 3.01Å; D368-G372 WeakPolarHBondContact O-CA 3.47Å; D368-G372 PolarHBondContact O-N 3.44Å
373	V	55.4	Low	59.4	Low	88 Å²	88	59 Å²	59	53%	0.533	32%	0.321	S	S	.	.			trans	-85.8	146.7	179.6	-179.1	0	0	0	0	109.9	D368 T371 T375	D368-V373 WeakPolarHBondContact CB-O 3.34Å; D368-V373 PolarHBondContact N-O 2.93Å; T371-V373 PolarHBondContact O-N 2.77Å; V373-T375 PolarHBondContact O-N 3.04Å
374	L	51.6	Low	60	Low	115 Å²	115	57.5 Å²	57.5	60%	0.602	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.4	173	-68.3	174.4	0	0	0	109.9	V366 R367	V366-L374 CarbonylContact O-C 3.53Å; V366-L374 WeakPolarHBondContact O-CA 3.37Å; R367-L374 HydrophobicContact CB-CD2 4.31Å
375	T	45.7	Very low	61.4	Low	52 Å²	52	57.7 Å²	57.7	32%	0.319	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.3	179.3	57.5	0	0	0	0	110.9	T365 V366 D368 V373	T365-T375 CarbonylContact C-O 3.53Å; T365-T375 WeakPolarHBondContact CA-O 3.41Å; V366-T375 WeakPolarHBondContact CG2-O 3.43Å; V366-T375 PolarHBondContact N-O 3.44Å; V366-T375 PolarHBondContact O-N 2.86Å; D368-T375 HydrophobicContact CB-CG2 4.39Å; V373-T375 PolarHBondContact O-N 3.04Å
376	V	59.8	Low	62.8	Low	83 Å²	83	59.5 Å²	59.5	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.9	168.6	179.4	0	0	0	0	107.4	R363	R363-V376 HydrophobicContact CG-CB 4.47Å; R363-V376 HydrophobicContact CG-CG1 3.75Å; R363-V376 HydrophobicContact CG-CG2 3.88Å
377	A	56.7	Low	64.5	Low	10 Å²	10	59.1 Å²	59.1	8%	0.083	32%	0.317	C	S	.	.			trans	-122.3	137.1	-179	0	0	0	0	0	112.5	V366 Y379 R380	V366-A377 HydrophobicContact CB-CB 4.46Å; V366-A377 HydrophobicContact CG1-CB 4.35Å; V366-A377 HydrophobicContact CG2-CB 3.32Å; A377-Y379 HydrophobicContact CB-CD1 3.56Å; A377-Y379 HydrophobicContact CB-CD2 4.27Å; A377-Y379 HydrophobicContact CB-CE1 3.39Å; A377-Y379 HydrophobicContact CB-CE2 4.13Å; A377-Y379 HydrophobicContact CB-CG 3.99Å; A377-Y379 PolarHBondContact O-N 3.16Å; A377-Y379 VanDerWaalsContact O-N 3.15Å; A377-R380 PolarHBondContact O-N 3.34Å; A377-R380 VanDerWaalsContact O-N 3.13Å
378	S	58.5	Low	66.4	Low	91 Å²	91	58.1 Å²	58.1	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	175.6	50.9	0	0	0	0	113.6	R138 V381	R138-S378 PolarHBondContact NH1-O 3.19Å; R138-S378 VanDerWaalsContact NH1-O 3.12Å; R138-S378 PolarHBondContact NH2-O 3.48Å; S378-V381 WeakPolarHBondContact O-CG2 3.46Å
379	Y	59.6	Low	68.1	Low	73 Å²	73	60 Å²	60	29%	0.286	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.1	179	63.2	-105.6	0	0	0	115.2	V366 A377 E428	V366-Y379 HydrophobicContact CB-CE2 4.3Å; V366-Y379 HydrophobicContact CG1-CE2 3.79Å; V366-Y379 HydrophobicContact CG2-CE1 4.41Å; V366-Y379 HydrophobicContact CG2-CE2 4.29Å; V366-Y379 VanDerWaalsContact CG2-OH 3.27Å; V366-Y379 WeakPolarHBondContact CG2-OH 3.37Å; A377-Y379 HydrophobicContact CB-CD1 3.56Å; A377-Y379 HydrophobicContact CB-CD2 4.27Å; A377-Y379 HydrophobicContact CB-CE1 3.39Å; A377-Y379 HydrophobicContact CB-CE2 4.13Å; A377-Y379 HydrophobicContact CB-CG 3.99Å; A377-Y379 PolarHBondContact O-N 3.16Å; A377-Y379 VanDerWaalsContact O-N 3.15Å; Y379-E428 WeakPolarHBondContact CB-OE2 3.34Å; Y379-E428 WeakPolarHBondContact O-CG 3.44Å; Y379-E428 PolarHBondContact O-N 2.9Å; Y379-E428 VanDerWaalsContact O-N 3.12Å
380	R	62.3	Low	70.2	Confident	14 Å²	14	62.1 Å²	62.1	5%	0.053	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-123.9	92.2	174.6	-172.1	-176.8	-179.2	-172.3	1.8	110.2	A364 T365 V366 A377 S382 Y427	A364-R380 HydrophobicContact CB-CG 4.28Å; T365-R380 PolarHBondContact O-NH1 2.66Å; V366-R380 HydrophobicContact CG1-CB 4.03Å; A377-R380 PolarHBondContact O-N 3.34Å; A377-R380 VanDerWaalsContact O-N 3.13Å; R380-S382 PolarHBondContact O-N 2.99Å; R380-Y427 HydrophobicContact CB-CD2 4.23Å; R380-Y427 HydrophobicContact CB-CE2 4.35Å; R380-Y427 VanDerWaalsContact CD-CE1 3.49Å; R380-Y427 HydrophobicContact CG-CD1 3.92Å; R380-Y427 HydrophobicContact CG-CD2 4.02Å; R380-Y427 HydrophobicContact CG-CE1 4.09Å; R380-Y427 HydrophobicContact CG-CE2 4.2Å; R380-Y427 HydrophobicContact CG-CG 3.87Å; R380-Y427 VanDerWaalsContact CZ-CE1 3.5Å
381	V	73.6	Confident	72.1	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.03	30%	0.304	C	S	.	.			trans	-97.6	79.2	-178.9	-172.9	0	0	0	0	109.6	F24 T25 R363 S378 G425 Q426	F24-V381 HydrophobicContact CE2-CG1 4.11Å; T25-V381 HydrophobicContact CG2-CG1 4.03Å; R363-V381 VanDerWaalsContact NH1-C 3.34Å; R363-V381 VanDerWaalsContact NH1-CA 3.3Å; S378-V381 WeakPolarHBondContact O-CG2 3.46Å; V381-G425 CarbonylContact O-C 3.48Å; V381-G425 WeakPolarHBondContact O-CA 3.03Å; V381-Q426 PolarHBondContact N-O 3.2Å; V381-Q426 PolarHBondContact O-N 2.91Å
382	S	75.5	Confident	74.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.			trans	-147.7	165.2	173	57.2	0	0	0	0	112	R363 A364 R380	R363-S382 PolarHBondContact NH1-O 3.11Å; A364-S382 WeakPolarHBondContact CB-O 3.42Å; A364-S382 WeakPolarHBondContact CB-OG 3.3Å; A364-S382 PolarHBondContact N-O 3.36Å; A364-S382 VanDerWaalsContact N-O 3.09Å; R380-S382 PolarHBondContact O-N 2.99Å
383	K	79.2	Confident	76.5	Confident	4 Å²	4	55 Å²	55	2%	0.017	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.8	158.7	-61.3	-166.2	-171.4	-178.2	0	109.6	E22 T25 H29 L361 A362 A419 N420	E22-K383 WeakPolarHBondContact O-CE 3.07Å; E22-K383 PolarHBondContact O-NZ 2.79Å; T25-K383 WeakPolarHBondContact OG1-CE 3.33Å; T25-K383 WeakPolarHBondContact OG1-CG 3.49Å; H29-K383 PolarHBondContact CE1-NZ 2.84Å; H29-K383 PolarHBondContact ND1-NZ 3.21Å; L361-K383 HydrophobicContact CB-CB 4.02Å; L361-K383 HydrophobicContact CB-CD 4.28Å; L361-K383 HydrophobicContact CD1-CB 4.49Å; L361-K383 HydrophobicContact CD2-CB 4.09Å; L361-K383 HydrophobicContact CG-CB 4.44Å; A362-K383 CarbonylContact O-C 3.5Å; A362-K383 WeakPolarHBondContact O-CA 3.32Å; A362-K383 WeakPolarHBondContact O-CB 3.14Å; K383-A419 CarbonylContact O-C 3.57Å; K383-A419 WeakPolarHBondContact O-CA 3.35Å; K383-N420 PolarHBondContact N-O 3.36Å; K383-N420 PolarHBondContact O-N 3.28Å
384	S	85.6	Confident	78.5	Confident	13 Å²	13	50.8 Å²	50.8	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.4	176.9	58	0	0	0	0	111.8	A362 V418	A362-S384 PolarHBondContact N-O 2.89Å; A362-S384 VanDerWaalsContact N-O 3.11Å; A362-S384 PolarHBondContact O-N 2.72Å; S384-V418 CarbonylContact C-O 3.54Å; S384-V418 WeakPolarHBondContact CA-O 3.42Å
385	S	90.5	Very high	80.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	159.5	168.4	62.5	0	0	0	0	109.5	A357 K360 Q417 V418	A357-S385 VanDerWaalsContact CB-OG 3.31Å; A357-S385 WeakPolarHBondContact CB-OG 3.33Å; K360-S385 WeakPolarHBondContact O-CB 3.4Å; S385-Q417 CarbonylContact O-C 3.55Å; S385-Q417 WeakPolarHBondContact O-CA 3.45Å; S385-V418 PolarHBondContact N-O 3.29Å; S385-V418 PolarHBondContact O-N 2.96Å
386	W	92.4	Very high	83.1	Confident	97 Å²	97	44 Å²	44	37%	0.367	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.1	176.1	-64.6	94.2	0	0	0	109.2	E414 L415 Q417 W517	W386-E414 VanDerWaalsContact CH2-OE2 3.31Å; W386-E414 WeakPolarHBondContact CH2-OE2 3.34Å; W386-E414 HydrophobicContact CZ3-CB 4.2Å; W386-L415 HydrophobicContact CB-CB 4.24Å; W386-L415 HydrophobicContact CB-CD1 4.13Å; W386-L415 HydrophobicContact CE3-CB 3.77Å; W386-L415 HydrophobicContact CZ3-CB 4.45Å; W386-L415 WeakPolarHBondContact CZ3-O 3.05Å; W386-Q417 HydrophobicContact CD2-CB 4.13Å; W386-Q417 HydrophobicContact CD2-CG 4.24Å; W386-Q417 HydrophobicContact CE3-CB 3.64Å; W386-Q417 HydrophobicContact CE3-CG 4.24Å; W386-Q417 HydrophobicContact CH2-CB 4.11Å; W386-Q417 HydrophobicContact CH2-CG 4.41Å; W386-Q417 HydrophobicContact CZ2-CB 4.44Å; W386-Q417 HydrophobicContact CZ2-CG 4.27Å; W386-Q417 HydrophobicContact CZ3-CB 3.65Å; W386-Q417 HydrophobicContact CZ3-CG 4.35Å; W386-W517 AromaticContact CH2-CE3 3.77Å; W386-W517 HydrophobicContact CH2-CE3 3.77Å; W386-W517 HydrophobicContact CH2-CH2 4.42Å; W386-W517 AromaticContact CH2-CZ3 3.3Å; W386-W517 HydrophobicContact CH2-CZ3 3.3Å; W386-W517 HydrophobicContact CZ2-CZ3 4.09Å; W386-W517 HydrophobicContact CZ3-CE3 4.06Å; W386-W517 AromaticContact CZ3-CZ3 3.86Å; W386-W517 HydrophobicContact CZ3-CZ3 3.86Å
387	L	94.4	Very high	84.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.5	-178.4	-57.6	-177.3	0	0	0	110.9	I353 I356 A357 K360 D391 V395 L416 V418	I353-L387 HydrophobicContact CG2-CD1 4Å; I356-L387 HydrophobicContact CG2-CD2 3.97Å; A357-L387 HydrophobicContact CB-CD1 4.41Å; K360-L387 HydrophobicContact CD-CD2 4.04Å; L387-D391 WeakPolarHBondContact CA-OD2 3.47Å; L387-V395 HydrophobicContact CB-CG1 4.27Å; L387-V395 HydrophobicContact CB-CG2 4.2Å; L387-V395 HydrophobicContact CD1-CG2 4.15Å; L387-L416 HydrophobicContact CB-CB 4.39Å; L387-L416 PolarHBondContact N-O 2.85Å; L387-L416 PolarHBondContact O-N 2.98Å; L387-V418 HydrophobicContact CD1-CG2 3.81Å; L387-V418 HydrophobicContact CG-CG2 4.26Å
388	E	94	Very high	86.7	Confident	102 Å²	102	45.4 Å²	45.4	48%	0.477	23%	0.231	S	C	.	.			trans	-89.2	159.4	174.1	-59	-168.4	-173.2	0	0	111	D390 D391 V395 L415	E388-D390 PolarHBondContact O-N 3.02Å; E388-D391 PolarHBondContact N-OD2 2.89Å; E388-D391 WeakPolarHBondContact O-CB 3.18Å; E388-D391 PolarHBondContact O-N 3.09Å; E388-V395 WeakPolarHBondContact O-CG1 3.25Å; E388-L415 HydrophobicContact CB-CD2 4.4Å; E388-L415 HydrophobicContact CG-CD1 3.75Å; E388-L415 HydrophobicContact CG-CD2 3.79Å; E388-L415 HydrophobicContact CG-CG 4.39Å
389	E	91	Very high	88.5	Confident	81 Å²	81	41.2 Å²	41.2	38%	0.379	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.2	177.9	-68	-166.6	171.6	0	0	112.7	D391 A396 N399	E389-D391 VanDerWaalsContact C-N 3.32Å; E389-A396 HydrophobicContact CB-CB 4.06Å; E389-A396 HydrophobicContact CG-CB 4.38Å; E389-N399 VanDerWaalsContact CG-ND2 3.26Å; E389-N399 WeakPolarHBondContact CG-ND2 3.31Å; E389-N399 VanDerWaalsContact OE1-CB 3.28Å; E389-N399 WeakPolarHBondContact OE1-CB 3.42Å; E389-N399 PolarHBondContact OE1-ND2 3.03Å
390	D	93	Very high	90.1	Very high	156 Å²	156	45.3 Å²	45.3	83%	0.834	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.1	179.5	-67.4	-21.1	0	0	0	112.9	E388	E388-D390 PolarHBondContact O-N 3.02Å
391	D	92.5	Very high	91.6	Very high	59 Å²	59	47 Å²	47	32%	0.316	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.9	176.1	-81	-39.5	0	0	0	111.5	I356 K360 L387 E388 E389	I356-D391 HydrophobicContact CG2-CB 4.47Å; K360-D391 IonicContact NZ-OD1 3.22Å; K360-D391 PolarHBondContact NZ-OD1 3.41Å; K360-D391 IonicContact NZ-OD2 2.85Å; K360-D391 PolarHBondContact NZ-OD2 3.18Å; L387-D391 WeakPolarHBondContact CA-OD2 3.47Å; E388-D391 PolarHBondContact N-OD2 2.89Å; E388-D391 WeakPolarHBondContact O-CB 3.18Å; E388-D391 PolarHBondContact O-N 3.09Å; E389-D391 VanDerWaalsContact C-N 3.32Å
392	D	96.8	Very high	92.6	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.118	22%	0.222	C	C	.	.			trans	-162.5	140.9	174.7	-170.8	-69.5	0	0	0	111.2	R352 I356 V394 V395	R352-D392 IonicContact CZ-OD2 3.72Å; R352-D392 VanDerWaalsContact CZ-OD2 3.25Å; R352-D392 IonicContact NE-OD2 3.41Å; R352-D392 PolarHBondContact NE-OD2 2.8Å; R352-D392 IonicContact NH2-OD2 3.58Å; R352-D392 PolarHBondContact NH2-OD2 2.99Å; I356-D392 HydrophobicContact CD1-CB 3.31Å; D392-V394 HydrophobicContact CB-CG1 4.05Å; D392-V394 PolarHBondContact O-N 3.34Å; D392-V394 WeakPolarHBondContact OD1-CB 3.35Å; D392-V394 VanDerWaalsContact OD1-CG1 3.24Å; D392-V394 WeakPolarHBondContact OD1-CG1 3.33Å; D392-V394 PolarHBondContact OD1-N 3.31Å; D392-V395 HydrophobicContact CB-CG2 4.5Å; D392-V395 WeakPolarHBondContact O-CB 3.42Å; D392-V395 PolarHBondContact O-N 3.09Å
393	P	97.5	Very high	93.5	Very high	86 Å²	86	50 Å²	50	56%	0.558	24%	0.237	S	C	*	.	H	α-helix	trans	-51.9	-25.4	176.7	-29	35.6	0	0	0	115.3	V395 R397	P393-V395 VanDerWaalsContact C-N 3.33Å; P393-R397 WeakPolarHBondContact O-CG 3.48Å; P393-R397 PolarHBondContact O-N 2.88Å; P393-R397 VanDerWaalsContact O-N 3.09Å; P393-R397 PolarHBondContact O-NH1 2.87Å
394	V	97.8	Very high	94.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-40.1	174.4	74.4	0	0	0	0	112.4	E349 R352 I353 I356 D392 R397 V398	E349-V394 HydrophobicContact CB-CG2 3.69Å; E349-V394 HydrophobicContact CG-CG2 3.65Å; R352-V394 HydrophobicContact CB-CG1 4.4Å; R352-V394 HydrophobicContact CG-CB 4.41Å; R352-V394 HydrophobicContact CG-CG1 3.87Å; I353-V394 HydrophobicContact CD1-CG1 4.36Å; I353-V394 HydrophobicContact CD1-CG2 4.26Å; I353-V394 HydrophobicContact CG1-CG1 3.73Å; I353-V394 HydrophobicContact CG1-CG2 4.34Å; I356-V394 HydrophobicContact CD1-CG1 4.4Å; D392-V394 HydrophobicContact CB-CG1 4.05Å; D392-V394 PolarHBondContact O-N 3.34Å; D392-V394 WeakPolarHBondContact OD1-CB 3.35Å; D392-V394 VanDerWaalsContact OD1-CG1 3.24Å; D392-V394 WeakPolarHBondContact OD1-CG1 3.33Å; D392-V394 PolarHBondContact OD1-N 3.31Å; V394-R397 PolarHBondContact O-N 2.73Å; V394-V398 HydrophobicContact CG2-CG2 4.4Å; V394-V398 WeakPolarHBondContact O-CB 3.24Å; V394-V398 WeakPolarHBondContact O-CG2 3.2Å; V394-V398 PolarHBondContact O-N 2.84Å
395	V	97.1	Very high	94.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-45.6	-178.7	-177.3	0	0	0	0	109.6	L387 E388 D392 P393 R397 V398 N399 L416	L387-V395 HydrophobicContact CB-CG1 4.27Å; L387-V395 HydrophobicContact CB-CG2 4.2Å; L387-V395 HydrophobicContact CD1-CG2 4.15Å; E388-V395 WeakPolarHBondContact O-CG1 3.25Å; D392-V395 HydrophobicContact CB-CG2 4.5Å; D392-V395 WeakPolarHBondContact O-CB 3.42Å; D392-V395 PolarHBondContact O-N 3.09Å; P393-V395 VanDerWaalsContact C-N 3.33Å; V395-R397 PolarHBondContact O-N 2.64Å; V395-V398 PolarHBondContact O-N 3.12Å; V395-N399 PolarHBondContact O-N 3.07Å; V395-L416 HydrophobicContact CG1-CB 4.17Å; V395-L416 HydrophobicContact CG1-CD2 4.1Å
396	A	96.4	Very high	94.6	Very high	23 Å²	23	52.1 Å²	52.1	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-40.2	176	0	0	0	0	0	112.8	E389 R400	E389-A396 HydrophobicContact CB-CB 4.06Å; E389-A396 HydrophobicContact CG-CB 4.38Å; A396-R400 WeakPolarHBondContact O-CB 3.3Å; A396-R400 PolarHBondContact O-N 3.13Å; A396-R400 VanDerWaalsContact O-N 3.07Å
397	R	95.9	Very high	94.5	Very high	122 Å²	122	48.8 Å²	48.8	46%	0.46	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-45.1	175.6	-74.2	-168	-52.9	-87.3	6.7	111.7	E349 P393 V394 V395 R400 R401	E349-R397 IonicContact OE1-NE 2.82Å; P393-R397 WeakPolarHBondContact O-CG 3.48Å; P393-R397 PolarHBondContact O-N 2.88Å; P393-R397 VanDerWaalsContact O-N 3.09Å; P393-R397 PolarHBondContact O-NH1 2.87Å; V394-R397 PolarHBondContact O-N 2.73Å; V395-R397 PolarHBondContact O-N 2.64Å; R397-R400 PolarHBondContact O-N 3.17Å; R397-R401 WeakPolarHBondContact O-CB 3.14Å; R397-R401 PolarHBondContact O-N 3.03Å
398	V	96.6	Very high	94.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-44	-179.6	167.6	0	0	0	0	111	M345 I353 V394 V395 R400 R401 M402	M345-V398 HydrophobicContact CE-CG1 4.4Å; M345-V398 HydrophobicContact CE-CG2 4.2Å; M345-V398 HydrophobicContact SD-CG1 4.33Å; I353-V398 HydrophobicContact CD1-CG2 4.09Å; V394-V398 HydrophobicContact CG2-CG2 4.4Å; V394-V398 WeakPolarHBondContact O-CB 3.24Å; V394-V398 WeakPolarHBondContact O-CG2 3.2Å; V394-V398 PolarHBondContact O-N 2.84Å; V395-V398 PolarHBondContact O-N 3.12Å; V398-R400 PolarHBondContact O-N 3.15Å; V398-R401 WeakPolarHBondContact O-CB 3.36Å; V398-R401 PolarHBondContact O-N 2.93Å; V398-M402 HydrophobicContact CG1-CE 3.32Å; V398-M402 WeakPolarHBondContact O-CG 3.42Å; V398-M402 PolarHBondContact O-N 3.11Å
399	N	96	Very high	94.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-46.4	173.5	-79.1	-14.6	0	0	0	112.3	E389 V395 R401 M402 Q403 V410 K516	E389-N399 VanDerWaalsContact CG-ND2 3.26Å; E389-N399 WeakPolarHBondContact CG-ND2 3.31Å; E389-N399 VanDerWaalsContact OE1-CB 3.28Å; E389-N399 WeakPolarHBondContact OE1-CB 3.42Å; E389-N399 PolarHBondContact OE1-ND2 3.03Å; V395-N399 PolarHBondContact O-N 3.07Å; N399-R401 VanDerWaalsContact C-N 3.28Å; N399-R401 PolarHBondContact O-N 3.24Å; N399-M402 PolarHBondContact O-N 3.2Å; N399-Q403 PolarHBondContact O-N 3.39Å; N399-V410 HydrophobicContact CB-CG2 4.48Å; N399-K516 VanDerWaalsContact CG-NZ 3.26Å; N399-K516 PolarHBondContact ND2-NZ 3.22Å; N399-K516 WeakPolarHBondContact OD1-CE 3.28Å; N399-K516 PolarHBondContact OD1-NZ 2.73Å; N399-K516 VanDerWaalsContact OD1-NZ 3.07Å
400	R	93.6	Very high	94.6	Very high	159 Å²	159	41.8 Å²	41.8	60%	0.6	21%	0.211	S	C	*	.	H	α-helix	trans	-61.3	-38.2	177.8	-170.1	-177.4	-54.6	-137.3	-1.2	112	A396 R397 V398 Q403 H404	A396-R400 WeakPolarHBondContact O-CB 3.3Å; A396-R400 PolarHBondContact O-N 3.13Å; A396-R400 VanDerWaalsContact O-N 3.07Å; R397-R400 PolarHBondContact O-N 3.17Å; V398-R400 PolarHBondContact O-N 3.15Å; R400-Q403 WeakPolarHBondContact O-CB 3.39Å; R400-Q403 PolarHBondContact O-N 3.24Å; R400-H404 PolarHBondContact O-N 2.96Å
401	R	94.1	Very high	94.5	Very high	50 Å²	50	43.4 Å²	43.4	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-45.6	174.9	-172.5	-175.7	-60.8	136.5	7.5	111.2	F327 V344 E349 R397 V398 N399 Q403 H404 I405	F327-R401 HydrophobicContact CE2-CG 4.11Å; F327-R401 HydrophobicContact CZ-CG 3.65Å; V344-R401 WeakPolarHBondContact O-CD 3.49Å; V344-R401 PolarHBondContact O-NE 3.36Å; V344-R401 PolarHBondContact O-NH1 3.11Å; E349-R401 IonicContact OE1-CZ 3.19Å; E349-R401 IonicContact OE1-NH1 3.31Å; E349-R401 IonicContact OE1-NH2 2.82Å; E349-R401 PolarHBondContact OE1-NH2 3.37Å; E349-R401 IonicContact OE2-CZ 3.3Å; E349-R401 IonicContact OE2-NH1 3.13Å; E349-R401 PolarHBondContact OE2-NH1 2.87Å; E349-R401 IonicContact OE2-NH2 2.69Å; E349-R401 PolarHBondContact OE2-NH2 3.03Å; R397-R401 WeakPolarHBondContact O-CB 3.14Å; R397-R401 PolarHBondContact O-N 3.03Å; V398-R401 WeakPolarHBondContact O-CB 3.36Å; V398-R401 PolarHBondContact O-N 2.93Å; N399-R401 VanDerWaalsContact C-N 3.28Å; N399-R401 PolarHBondContact O-N 3.24Å; R401-Q403 VanDerWaalsContact C-N 3.32Å; R401-Q403 PolarHBondContact O-N 3.07Å; R401-H404 PolarHBondContact O-N 3.3Å; R401-H404 VanDerWaalsContact O-N 3.14Å; R401-I405 HydrophobicContact CG-CD1 4.01Å; R401-I405 WeakPolarHBondContact O-CG1 3.45Å; R401-I405 PolarHBondContact O-N 2.53Å
402	M	94.9	Very high	94.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-41.9	175.6	-63.1	-175.5	-133.6	0	0	111.8	V398 N399 H404 I405 T406 L416 F454 N456 K516 F518	V398-M402 HydrophobicContact CG1-CE 3.32Å; V398-M402 WeakPolarHBondContact O-CG 3.42Å; V398-M402 PolarHBondContact O-N 3.11Å; N399-M402 PolarHBondContact O-N 3.2Å; M402-H404 VanDerWaalsContact C-N 3.33Å; M402-H404 PolarHBondContact O-N 2.83Å; M402-I405 PolarHBondContact O-N 3.09Å; M402-T406 WeakPolarHBondContact O-CG2 3.32Å; M402-T406 PolarHBondContact O-N 3.14Å; M402-T406 PolarHBondContact O-OG1 2.86Å; M402-L416 HydrophobicContact CE-CD1 3.7Å; M402-F454 HydrophobicContact CG-CD1 3.79Å; M402-F454 HydrophobicContact CG-CE1 3.75Å; M402-F454 HydrophobicContact CG-CG 4.24Å; M402-F454 HydrophobicContact CG-CZ 4.2Å; M402-F454 HydrophobicContact SD-CB 4.29Å; M402-F454 HydrophobicContact SD-CD1 3.59Å; M402-F454 VanDerWaalsContact SD-CD1 3.59Å; M402-F454 HydrophobicContact SD-CE1 4.13Å; M402-F454 HydrophobicContact SD-CG 4.03Å; M402-N456 WeakPolarHBondContact CE-ND2 3.23Å; M402-K516 HydrophobicContact CE-CB 4.22Å; M402-K516 HydrophobicContact SD-CB 3.45Å; M402-K516 WeakPolarHBondContact SD-CB 3.23Å; M402-K516 HydrophobicContact SD-CG 3.77Å; M402-F518 HydrophobicContact CB-CZ 4.1Å
403	Q	93.7	Very high	94.3	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	21%	0.207	S	C	.	.	H	α-helix	trans	-58.4	-42.9	173.7	171.2	164.4	-32.1	0	0	112.3	N399 R400 R401 G407 L408 V410	N399-Q403 PolarHBondContact O-N 3.39Å; R400-Q403 WeakPolarHBondContact O-CB 3.39Å; R400-Q403 PolarHBondContact O-N 3.24Å; R401-Q403 VanDerWaalsContact C-N 3.32Å; R401-Q403 PolarHBondContact O-N 3.07Å; Q403-G407 VanDerWaalsContact O-CA 3.31Å; Q403-G407 WeakPolarHBondContact O-CA 3.36Å; Q403-G407 PolarHBondContact O-N 3.34Å; Q403-L408 WeakPolarHBondContact CA-O 3.24Å; Q403-L408 VanDerWaalsContact CG-O 3.28Å; Q403-L408 WeakPolarHBondContact CG-O 3.46Å; Q403-V410 HydrophobicContact CB-CG1 4Å; Q403-V410 HydrophobicContact CB-CG2 4.49Å; Q403-V410 VanDerWaalsContact OE1-N 3.11Å
404	H	92.3	Very high	94.1	Very high	48 Å²	48	39.4 Å²	39.4	22%	0.222	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-37.4	177.9	-64.3	169.6	0	0	0	112.4	L322 R400 R401 M402	L322-H404 HydrophobicContact CD1-CB 3.99Å; L322-H404 WeakPolarHBondContact CD1-O 3.22Å; L322-H404 HydrophobicContact CG-CB 4.4Å; R400-H404 PolarHBondContact O-N 2.96Å; R401-H404 PolarHBondContact O-N 3.3Å; R401-H404 VanDerWaalsContact O-N 3.14Å; M402-H404 VanDerWaalsContact C-N 3.33Å; M402-H404 PolarHBondContact O-N 2.83Å
405	I	93.3	Very high	94	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-52	178	-67.3	167.4	0	0	0	110.2	H314 F327 Y341 V344 R401 M402 F454	H314-I405 PolarHBondContact NE2-O 3.47Å; F327-I405 HydrophobicContact CD1-CD1 4.44Å; F327-I405 HydrophobicContact CD2-CD1 3.89Å; F327-I405 HydrophobicContact CD2-CG1 3.5Å; F327-I405 VanDerWaalsContact CD2-CG1 3.5Å; F327-I405 HydrophobicContact CE1-CD1 4.34Å; F327-I405 HydrophobicContact CE2-CD1 3.74Å; F327-I405 HydrophobicContact CE2-CG1 3.54Å; F327-I405 HydrophobicContact CG-CD1 4.24Å; F327-I405 HydrophobicContact CG-CG1 4.21Å; F327-I405 HydrophobicContact CZ-CD1 4Å; F327-I405 HydrophobicContact CZ-CG1 4.32Å; Y341-I405 HydrophobicContact CD1-CG2 3.93Å; Y341-I405 HydrophobicContact CD2-CG2 3.79Å; Y341-I405 HydrophobicContact CE1-CG2 3.62Å; Y341-I405 HydrophobicContact CE2-CG2 3.48Å; Y341-I405 VanDerWaalsContact CE2-CG2 3.48Å; Y341-I405 HydrophobicContact CG-CG2 3.99Å; V344-I405 HydrophobicContact CG1-CD1 4.05Å; V344-I405 HydrophobicContact CG2-CD1 4.4Å; R401-I405 HydrophobicContact CG-CD1 4.01Å; R401-I405 WeakPolarHBondContact O-CG1 3.45Å; R401-I405 PolarHBondContact O-N 2.53Å; M402-I405 PolarHBondContact O-N 3.09Å; I405-F454 HydrophobicContact CB-CE2 4.25Å; I405-F454 HydrophobicContact CD1-CE2 4.49Å; I405-F454 HydrophobicContact CD1-CZ 3.96Å; I405-F454 HydrophobicContact CG2-CE2 3.78Å; I405-F454 HydrophobicContact CG2-CZ 4.22Å
406	T	92.8	Very high	94	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-81.9	-23.9	-172.4	63.1	0	0	0	0	113.2	M402 L408 F454 F485 F518	M402-T406 WeakPolarHBondContact O-CG2 3.32Å; M402-T406 PolarHBondContact O-N 3.14Å; M402-T406 PolarHBondContact O-OG1 2.86Å; T406-L408 PolarHBondContact O-N 2.79Å; T406-L408 WeakPolarHBondContact OG1-CB 3.2Å; T406-L408 PolarHBondContact OG1-N 3.39Å; T406-L408 VanDerWaalsContact OG1-N 3.09Å; T406-F454 HydrophobicContact CG2-CD2 3.48Å; T406-F454 VanDerWaalsContact CG2-CD2 3.48Å; T406-F454 HydrophobicContact CG2-CE2 3.8Å; T406-F485 HydrophobicContact CG2-CD2 3.78Å; T406-F485 HydrophobicContact CG2-CE2 3.51Å; T406-F485 HydrophobicContact CG2-CG 4.47Å; T406-F485 HydrophobicContact CG2-CZ 4.04Å; T406-F518 HydrophobicContact CG2-CE2 4.35Å; T406-F518 HydrophobicContact CG2-CZ 4.27Å
407	G	91.9	Very high	94	Very high	28 Å²	28	42 Å²	42	29%	0.289	20%	0.198	S	C	.	.			trans	73.3	1.8	-167.4	0	0	0	0	0	113.7	Q403	Q403-G407 VanDerWaalsContact O-CA 3.31Å; Q403-G407 WeakPolarHBondContact O-CA 3.36Å; Q403-G407 PolarHBondContact O-N 3.34Å
408	L	93.3	Very high	93.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.176	C	C	.	.			trans	-91.3	139.1	179.4	-58.3	177	0	0	0	110.6	Q403 T406 V451 A452 F485 Y487 F518 Q523 R527	Q403-L408 WeakPolarHBondContact CA-O 3.24Å; Q403-L408 VanDerWaalsContact CG-O 3.28Å; Q403-L408 WeakPolarHBondContact CG-O 3.46Å; T406-L408 PolarHBondContact O-N 2.79Å; T406-L408 WeakPolarHBondContact OG1-CB 3.2Å; T406-L408 PolarHBondContact OG1-N 3.39Å; T406-L408 VanDerWaalsContact OG1-N 3.09Å; L408-V451 HydrophobicContact CD1-CG1 4.34Å; L408-A452 HydrophobicContact CD1-CB 3.87Å; L408-F485 HydrophobicContact CD1-CE2 4.43Å; L408-F485 HydrophobicContact CD1-CZ 4.31Å; L408-Y487 HydrophobicContact CD1-CE1 4.12Å; L408-F518 HydrophobicContact CB-CD1 3.56Å; L408-F518 HydrophobicContact CB-CE1 3.9Å; L408-F518 HydrophobicContact CB-CG 4.2Å; L408-F518 HydrophobicContact CD1-CB 3.97Å; L408-F518 HydrophobicContact CD1-CD1 4.15Å; L408-F518 HydrophobicContact CD1-CD2 4.38Å; L408-F518 HydrophobicContact CD1-CG 3.91Å; L408-Q523 VanDerWaalsContact CA-OE1 3.24Å; L408-Q523 HydrophobicContact CD2-CB 4.39Å; L408-Q523 HydrophobicContact CD2-CG 4.23Å; L408-R527 HydrophobicContact CD2-CB 4.32Å
409	T	93.2	Very high	93.7	Very high	15 Å²	15	36.2 Å²	36.2	9%	0.092	18%	0.176	C	C	.	.			trans	-66.4	137.4	176	-179.5	0	0	0	0	111.4	K411 G522 Q523 L526	T409-K411 WeakPolarHBondContact OG1-CB 2.9Å; T409-K411 WeakPolarHBondContact OG1-CG 3.15Å; T409-K411 PolarHBondContact OG1-N 2.93Å; T409-G522 VanDerWaalsContact CG2-O 3.3Å; T409-G522 WeakPolarHBondContact CG2-O 3.46Å; T409-Q523 PolarHBondContact O-NE2 3.12Å; T409-L526 HydrophobicContact CG2-CD1 4.25Å
410	V	93.6	Very high	93.4	Very high	18 Å²	18	36.1 Å²	36.1	11%	0.109	18%	0.175	C	C	.	.	S	Bend	trans	-88.3	-4.8	171.4	-66.3	0	0	0	0	113.4	N399 Q403 T412 A413 F518	N399-V410 HydrophobicContact CB-CG2 4.48Å; Q403-V410 HydrophobicContact CB-CG1 4Å; Q403-V410 HydrophobicContact CB-CG2 4.49Å; Q403-V410 VanDerWaalsContact OE1-N 3.11Å; V410-T412 PolarHBondContact O-N 3.25Å; V410-A413 HydrophobicContact CB-CB 4.19Å; V410-A413 HydrophobicContact CG1-CB 4.47Å; V410-A413 WeakPolarHBondContact O-CB 3.41Å; V410-A413 PolarHBondContact O-N 2.94Å; V410-F518 HydrophobicContact CG1-CD1 4.5Å; V410-F518 HydrophobicContact CG1-CE1 3.57Å; V410-F518 HydrophobicContact CG1-CZ 4.09Å
411	K	92.1	Very high	93	Very high	191 Å²	191	29.2 Å²	29.2	83%	0.83	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.2	-178.3	-68.5	-177.2	177.6	-178.4	0	113.7	T409	T409-K411 WeakPolarHBondContact OG1-CB 2.9Å; T409-K411 WeakPolarHBondContact OG1-CG 3.15Å; T409-K411 PolarHBondContact OG1-N 2.93Å
412	T	91.3	Very high	92.1	Very high	35 Å²	35	26.8 Å²	26.8	22%	0.215	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	3.3	178.2	52.5	0	0	0	0	112	V410 T447 H519 R521	V410-T412 PolarHBondContact O-N 3.25Å; T412-T447 HydrophobicContact CG2-CG2 4.44Å; T412-H519 WeakPolarHBondContact O-CB 3.26Å; T412-H519 PolarHBondContact O-CD2 3.45Å; T412-R521 WeakPolarHBondContact CB-O 3.41Å; T412-R521 WeakPolarHBondContact CG2-O 3.21Å; T412-R521 PolarHBondContact OG1-O 3.33Å
413	A	93.5	Very high	91.2	Very high	18 Å²	18	29.5 Å²	29.5	15%	0.149	16%	0.157	C	C	.	.	S	Bend	trans	-78.2	155.2	177.4	0	0	0	0	0	110.9	V410 W517 F518	V410-A413 HydrophobicContact CB-CB 4.19Å; V410-A413 HydrophobicContact CG1-CB 4.47Å; V410-A413 WeakPolarHBondContact O-CB 3.41Å; V410-A413 PolarHBondContact O-N 2.94Å; A413-W517 VanDerWaalsContact CA-O 3.29Å; A413-W517 WeakPolarHBondContact CA-O 3.44Å; A413-W517 VanDerWaalsContact CB-O 3.28Å; A413-W517 WeakPolarHBondContact CB-O 3.13Å; A413-F518 HydrophobicContact CB-CD1 4.14Å
414	E	93.5	Very high	90.6	Very high	30 Å²	30	26.3 Å²	26.3	14%	0.14	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.7	167.9	177.2	-59.9	-170.5	-170.1	0	0	112	W386 R450 K516 W517 H519	W386-E414 VanDerWaalsContact CH2-OE2 3.31Å; W386-E414 WeakPolarHBondContact CH2-OE2 3.34Å; W386-E414 HydrophobicContact CZ3-CB 4.2Å; E414-R450 IonicContact OE1-CZ 2.8Å; E414-R450 VanDerWaalsContact OE1-CZ 3.26Å; E414-R450 IonicContact OE1-NE 3.59Å; E414-R450 PolarHBondContact OE1-NE 3.01Å; E414-R450 IonicContact OE1-NH2 3.36Å; E414-R450 PolarHBondContact OE1-NH2 2.82Å; E414-R450 IonicContact OE2-CZ 3.46Å; E414-R450 IonicContact OE2-NE 2.8Å; E414-R450 IonicContact OE2-NH2 2.7Å; E414-R450 PolarHBondContact OE2-NH2 3.22Å; E414-K516 WeakPolarHBondContact O-CD 3.39Å; E414-K516 VanDerWaalsContact O-CE 3.22Å; E414-K516 WeakPolarHBondContact O-CE 3.34Å; E414-K516 PolarHBondContact O-NZ 3.02Å; E414-W517 HydrophobicContact CB-CB 4.41Å; E414-W517 HydrophobicContact CG-CB 4.2Å; E414-W517 PolarHBondContact N-O 2.77Å; E414-W517 VanDerWaalsContact OE2-CE3 3.25Å; E414-H519 WeakPolarHBondContact CG-NE2 3.25Å; E414-H519 IonicContact OE1-CE1 3.25Å; E414-H519 IonicContact OE1-NE2 3.05Å; E414-H519 PolarHBondContact OE1-NE2 3.32Å
415	L	94.9	Very high	90.2	Very high	69 Å²	69	24 Å²	24	36%	0.361	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-57.1	158.1	171.4	-61	-174.1	0	0	0	111	W386 E388 Q417	W386-L415 HydrophobicContact CB-CB 4.24Å; W386-L415 HydrophobicContact CB-CD1 4.13Å; W386-L415 HydrophobicContact CE3-CB 3.77Å; W386-L415 HydrophobicContact CZ3-CB 4.45Å; W386-L415 WeakPolarHBondContact CZ3-O 3.05Å; E388-L415 HydrophobicContact CB-CD2 4.4Å; E388-L415 HydrophobicContact CG-CD1 3.75Å; E388-L415 HydrophobicContact CG-CD2 3.79Å; E388-L415 HydrophobicContact CG-CG 4.39Å; L415-Q417 PolarHBondContact O-N 3.41Å
416	L	97	Very high	89.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	107.8	176.5	-175.4	68.2	0	0	0	108.4	I353 L387 V395 M402 K516	I353-L416 HydrophobicContact CD1-CD2 4.33Å; L387-L416 HydrophobicContact CB-CB 4.39Å; L387-L416 PolarHBondContact N-O 2.85Å; L387-L416 PolarHBondContact O-N 2.98Å; V395-L416 HydrophobicContact CG1-CB 4.17Å; V395-L416 HydrophobicContact CG1-CD2 4.1Å; M402-L416 HydrophobicContact CE-CD1 3.7Å; L416-K516 HydrophobicContact CD1-CB 4.47Å
417	Q	95.7	Very high	89.7	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.047	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.3	174.5	-172.8	-179.3	79.4	0	0	108.4	S385 W386 L415 S514 N515 W517	S385-Q417 CarbonylContact O-C 3.55Å; S385-Q417 WeakPolarHBondContact O-CA 3.45Å; W386-Q417 HydrophobicContact CD2-CB 4.13Å; W386-Q417 HydrophobicContact CD2-CG 4.24Å; W386-Q417 HydrophobicContact CE3-CB 3.64Å; W386-Q417 HydrophobicContact CE3-CG 4.24Å; W386-Q417 HydrophobicContact CH2-CB 4.11Å; W386-Q417 HydrophobicContact CH2-CG 4.41Å; W386-Q417 HydrophobicContact CZ2-CB 4.44Å; W386-Q417 HydrophobicContact CZ2-CG 4.27Å; W386-Q417 HydrophobicContact CZ3-CB 3.65Å; W386-Q417 HydrophobicContact CZ3-CG 4.35Å; L415-Q417 PolarHBondContact O-N 3.41Å; Q417-S514 CarbonylContact O-C 3.58Å; Q417-S514 WeakPolarHBondContact O-CA 3.46Å; Q417-S514 WeakPolarHBondContact O-CB 3.46Å; Q417-N515 HydrophobicContact CB-CB 4.31Å; Q417-N515 PolarHBondContact N-O 2.74Å; Q417-N515 PolarHBondContact O-N 2.9Å; Q417-W517 HydrophobicContact CB-CZ3 4.07Å; Q417-W517 HydrophobicContact CG-CZ3 4.44Å
418	V	95.3	Very high	89.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.9	168.5	176	0	0	0	0	107.9	I353 A357 S384 S385 L387 M458 W512 V513	I353-V418 HydrophobicContact CG2-CG2 3.67Å; A357-V418 HydrophobicContact CB-CB 3.87Å; A357-V418 HydrophobicContact CB-CG1 3.64Å; A357-V418 HydrophobicContact CB-CG2 4.14Å; S384-V418 CarbonylContact C-O 3.54Å; S384-V418 WeakPolarHBondContact CA-O 3.42Å; S385-V418 PolarHBondContact N-O 3.29Å; S385-V418 PolarHBondContact O-N 2.96Å; L387-V418 HydrophobicContact CD1-CG2 3.81Å; L387-V418 HydrophobicContact CG-CG2 4.26Å; V418-M458 HydrophobicContact CG1-CE 3.69Å; V418-M458 HydrophobicContact CG2-CE 4.39Å; V418-W512 HydrophobicContact CG1-CE3 3.84Å; V418-W512 HydrophobicContact CG1-CZ3 3.87Å; V418-V513 WeakPolarHBondContact CA-O 3.35Å
419	A	91.8	Very high	89.5	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.017	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.5	178.6	0	0	0	0	0	111.1	K383 Y421 W512 V513	K383-A419 CarbonylContact O-C 3.57Å; K383-A419 WeakPolarHBondContact O-CA 3.35Å; A419-Y421 HydrophobicContact CB-CE2 3.96Å; A419-W512 WeakPolarHBondContact O-CA 3.37Å; A419-V513 HydrophobicContact CB-CG2 3.87Å; A419-V513 PolarHBondContact N-O 2.8Å; A419-V513 PolarHBondContact O-N 3.4Å
420	N	90	Very high	89.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.1	173.1	-178.7	-125	0	0	0	110.1	S26 I27 L361 K383 C510 K511 W512	S26-N420 WeakPolarHBondContact CA-OD1 3.13Å; S26-N420 VanDerWaalsContact CB-OD1 3.24Å; S26-N420 WeakPolarHBondContact CB-OD1 3.35Å; S26-N420 PolarHBondContact OG-OD1 3.5Å; I27-N420 PolarHBondContact N-OD1 2.97Å; L361-N420 HydrophobicContact CD1-CB 4.09Å; K383-N420 PolarHBondContact N-O 3.36Å; K383-N420 PolarHBondContact O-N 3.28Å; N420-C510 PolarHBondContact ND2-SG 3.2Å; N420-K511 PolarHBondContact ND2-O 3.45Å; N420-W512 HydrophobicContact CB-CD2 3.99Å; N420-W512 HydrophobicContact CB-CE3 3.9Å; N420-W512 HydrophobicContact CB-CH2 3.92Å; N420-W512 HydrophobicContact CB-CZ2 3.95Å; N420-W512 HydrophobicContact CB-CZ3 3.88Å; N420-W512 PolarHBondContact ND2-NE1 3.44Å
421	Y	84.8	Confident	89.3	Confident	14 Å²	14	26.1 Å²	26.1	6%	0.055	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.4	174.3	-55.4	-98.8	0	0	0	108.4	A419 A503 K511 V513	A419-Y421 HydrophobicContact CB-CE2 3.96Å; Y421-A503 HydrophobicContact CE1-CB 4.3Å; Y421-K511 HydrophobicContact CD2-CB 4.16Å; Y421-K511 HydrophobicContact CD2-CD 4.02Å; Y421-K511 HydrophobicContact CD2-CG 4.01Å; Y421-K511 HydrophobicContact CE2-CD 4.42Å; Y421-K511 PolarHBondContact N-O 2.78Å; Y421-K511 PolarHBondContact O-N 3.27Å; Y421-V513 HydrophobicContact CE2-CG2 3.83Å
422	G	76	Confident	89.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.			trans	-79	-159.1	168.3	0	0	0	0	0	112.7	T25 G424 G425	T25-G422 PolarHBondContact O-N 3.14Å; T25-G422 VanDerWaalsContact O-N 3.08Å; G422-G424 PolarHBondContact O-N 3.42Å; G422-G425 PolarHBondContact O-N 3.03Å
423	V	74.7	Confident	89.3	Confident	58 Å²	58	16 Å²	16	35%	0.352	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	129.1	-179.7	176.7	0	0	0	0	109.9	M30 A135 L139 G425	M30-V423 HydrophobicContact CE-CG2 4.2Å; A135-V423 WeakPolarHBondContact CB-O 3.33Å; L139-V423 HydrophobicContact CD1-CG1 4.02Å; V423-G425 PolarHBondContact O-N 3.18Å
424	G	81.8	Confident	88.8	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	10	-177	0	0	0	0	0	114.4	R138 G422 Q426 V506	R138-G424 WeakPolarHBondContact CD-O 3.5Å; G422-G424 PolarHBondContact O-N 3.42Å; G424-Q426 PolarHBondContact O-N 2.76Å; G424-V506 PolarHBondContact N-O 3.26Å; G424-V506 VanDerWaalsContact N-O 3.15Å
425	G	84.7	Confident	88.1	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.			trans	-65.7	124.9	179	0	0	0	0	0	110.9	V381 G422 V423 P505 V506	V381-G425 CarbonylContact O-C 3.48Å; V381-G425 WeakPolarHBondContact O-CA 3.03Å; G422-G425 PolarHBondContact O-N 3.03Å; V423-G425 PolarHBondContact O-N 3.18Å; G425-P505 WeakPolarHBondContact O-CA 3.19Å; G425-V506 PolarHBondContact O-N 3.28Å
426	Q	87	Confident	86.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.			trans	-137.6	169.5	-177.7	84	174.2	10.8	0	0	112.5	R138 Y290 V381 G424 E428 A503 P505	R138-Q426 VanDerWaalsContact NH1-CG 3.33Å; Y290-Q426 PolarHBondContact OH-OE1 3.39Å; V381-Q426 PolarHBondContact N-O 3.2Å; V381-Q426 PolarHBondContact O-N 2.91Å; G424-Q426 PolarHBondContact O-N 2.76Å; Q426-E428 PolarHBondContact NE2-OE1 2.73Å; Q426-E428 VanDerWaalsContact NE2-OE1 3.14Å; Q426-A503 WeakPolarHBondContact CA-O 3.48Å; Q426-A503 WeakPolarHBondContact CB-O 3.33Å; Q426-P505 HydrophobicContact CB-CB 4.38Å; Q426-P505 HydrophobicContact CB-CG 4.01Å; Q426-P505 VanDerWaalsContact OE1-CG 3.29Å
427	Y	87.4	Confident	84.6	Confident	38 Å²	38	24.7 Å²	24.7	15%	0.149	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	111.4	160.6	-160.4	157.1	0	0	0	107.6	R380 H430 A502 A503	R380-Y427 HydrophobicContact CB-CD2 4.23Å; R380-Y427 HydrophobicContact CB-CE2 4.35Å; R380-Y427 VanDerWaalsContact CD-CE1 3.49Å; R380-Y427 HydrophobicContact CG-CD1 3.92Å; R380-Y427 HydrophobicContact CG-CD2 4.02Å; R380-Y427 HydrophobicContact CG-CE1 4.09Å; R380-Y427 HydrophobicContact CG-CE2 4.2Å; R380-Y427 HydrophobicContact CG-CG 3.87Å; R380-Y427 VanDerWaalsContact CZ-CE1 3.5Å; Y427-H430 AromaticContact CD1-CE1 3.58Å; Y427-H430 AromaticContact CD1-NE2 3.92Å; Y427-H430 AromaticContact CD2-CE1 3.53Å; Y427-H430 AromaticContact CD2-ND1 3.35Å; Y427-H430 VanDerWaalsContact CD2-ND1 3.35Å; Y427-H430 WeakPolarHBondContact CD2-ND1 3.28Å; Y427-H430 AromaticContact CE1-CE1 3.74Å; Y427-H430 AromaticContact CE1-NE2 3.65Å; Y427-H430 HydrophobicContact CE2-CB 4.19Å; Y427-H430 AromaticContact CE2-CE1 3.69Å; Y427-H430 AromaticContact CE2-CG 3.66Å; Y427-H430 AromaticContact CE2-ND1 3.41Å; Y427-H430 WeakPolarHBondContact CE2-ND1 3.41Å; Y427-H430 AromaticContact CG-CE1 3.49Å; Y427-H430 VanDerWaalsContact CG-CE1 3.49Å; Y427-H430 AromaticContact CG-ND1 3.81Å; Y427-H430 AromaticContact CZ-CD2 3.85Å; Y427-H430 AromaticContact CZ-CE1 3.79Å; Y427-H430 AromaticContact CZ-CG 3.95Å; Y427-H430 AromaticContact CZ-ND1 3.91Å; Y427-H430 AromaticContact CZ-NE2 3.72Å; Y427-A502 CarbonylContact O-C 3.55Å; Y427-A502 WeakPolarHBondContact O-CA 3.5Å; Y427-A502 WeakPolarHBondContact O-CB 3.43Å; Y427-A503 PolarHBondContact N-O 2.95Å; Y427-A503 PolarHBondContact O-N 2.86Å
428	E	87.9	Confident	82.8	Confident	11 Å²	11	27 Å²	27	5%	0.051	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	161.1	178	-76.3	-175.8	-169.5	0	0	114	Y283 L284 R287 Y379 Q426 H430	Y283-E428 PolarHBondContact OH-OE1 3.24Å; Y283-E428 VanDerWaalsContact OH-OE1 3.11Å; Y283-E428 PolarHBondContact OH-OE2 2.75Å; L284-E428 HydrophobicContact CD1-CB 4.29Å; L284-E428 HydrophobicContact CD1-CG 4.08Å; L284-E428 VanDerWaalsContact CD1-OE2 3.28Å; L284-E428 WeakPolarHBondContact CD1-OE2 3.17Å; R287-E428 IonicContact NH2-OE1 3.65Å; R287-E428 PolarHBondContact NH2-OE1 2.98Å; Y379-E428 WeakPolarHBondContact CB-OE2 3.34Å; Y379-E428 WeakPolarHBondContact O-CG 3.44Å; Y379-E428 PolarHBondContact O-N 2.9Å; Y379-E428 VanDerWaalsContact O-N 3.12Å; Q426-E428 PolarHBondContact NE2-OE1 2.73Å; Q426-E428 VanDerWaalsContact NE2-OE1 3.14Å; E428-H430 PolarHBondContact O-N 2.82Å; E428-H430 PolarHBondContact O-ND1 2.86Å
429	P	92.4	Very high	80.7	Confident	10 Å²	10	35.3 Å²	35.3	7%	0.065	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	121.1	180	-30.2	35.9	0	0	0	114.6	E286 Y290 P470 R500 H501 A502	E286-P429 HydrophobicContact CG-CG 4.41Å; E286-P429 WeakPolarHBondContact OE1-CB 3.04Å; Y290-P429 HydrophobicContact CD2-CG 4.11Å; Y290-P429 HydrophobicContact CG-CG 4.11Å; P429-P470 HydrophobicContact CB-CG 4.33Å; P429-P470 HydrophobicContact CG-CG 4.08Å; P429-R500 HydrophobicContact CB-CG 4.4Å; P429-R500 PolarHBondContact O-NH2 2.7Å; P429-H501 CarbonylContact C-O 3.49Å; P429-H501 WeakPolarHBondContact CA-O 3.11Å; P429-A502 HydrophobicContact CB-CB 4.38Å; P429-A502 HydrophobicContact CG-CB 3.91Å
430	H	91.6	Very high	78.9	Confident	29 Å²	29	40.8 Å²	40.8	13%	0.134	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	171.1	-177.8	62.2	-76.6	0	0	0	112.3	Y427 E428 D432 R500 H501	Y427-H430 AromaticContact CD1-CE1 3.58Å; Y427-H430 AromaticContact CD1-NE2 3.92Å; Y427-H430 AromaticContact CD2-CE1 3.53Å; Y427-H430 AromaticContact CD2-ND1 3.35Å; Y427-H430 VanDerWaalsContact CD2-ND1 3.35Å; Y427-H430 WeakPolarHBondContact CD2-ND1 3.28Å; Y427-H430 AromaticContact CE1-CE1 3.74Å; Y427-H430 AromaticContact CE1-NE2 3.65Å; Y427-H430 HydrophobicContact CE2-CB 4.19Å; Y427-H430 AromaticContact CE2-CE1 3.69Å; Y427-H430 AromaticContact CE2-CG 3.66Å; Y427-H430 AromaticContact CE2-ND1 3.41Å; Y427-H430 WeakPolarHBondContact CE2-ND1 3.41Å; Y427-H430 AromaticContact CG-CE1 3.49Å; Y427-H430 VanDerWaalsContact CG-CE1 3.49Å; Y427-H430 AromaticContact CG-ND1 3.81Å; Y427-H430 AromaticContact CZ-CD2 3.85Å; Y427-H430 AromaticContact CZ-CE1 3.79Å; Y427-H430 AromaticContact CZ-CG 3.95Å; Y427-H430 AromaticContact CZ-ND1 3.91Å; Y427-H430 AromaticContact CZ-NE2 3.72Å; E428-H430 PolarHBondContact O-N 2.82Å; E428-H430 PolarHBondContact O-ND1 2.86Å; H430-D432 IonicContact CD2-OD1 3.63Å; H430-D432 IonicContact NE2-OD1 3.9Å; H430-R500 WeakPolarHBondContact O-CA 3.19Å; H430-H501 AromaticContact CE1-NE2 3.88Å; H430-H501 PolarHBondContact N-O 2.72Å; H430-H501 PolarHBondContact ND1-O 3.02Å; H430-H501 AromaticContact NE2-NE2 3.49Å; H430-H501 PolarHBondContact NE2-NE2 2.88Å; H430-H501 PolarHBondContact O-N 2.88Å
431	F	92.4	Very high	77.3	Confident	34 Å²	34	42.8 Å²	42.8	15%	0.149	20%	0.202	C	C	.	.			trans	-107.5	143.2	168.5	-65	-68.9	0	0	0	109.3	F433 R435 Y497 R500	F431-F433 HydrophobicContact CB-CD1 4.04Å; F431-F433 HydrophobicContact CB-CE1 3.94Å; F431-F433 HydrophobicContact CB-CG 4.49Å; F431-F433 HydrophobicContact CB-CZ 4.27Å; F431-F433 HydrophobicContact CD1-CD1 4.19Å; F431-F433 AromaticContact CD1-CE1 3.35Å; F431-F433 HydrophobicContact CD1-CE1 3.35Å; F431-F433 AromaticContact CD1-CZ 3.68Å; F431-F433 HydrophobicContact CD1-CZ 3.68Å; F431-F433 HydrophobicContact CE1-CE1 4.05Å; F431-F433 HydrophobicContact CE1-CZ 4.12Å; F431-F433 HydrophobicContact CG-CD1 4.43Å; F431-F433 AromaticContact CG-CE1 3.83Å; F431-F433 HydrophobicContact CG-CE1 3.83Å; F431-F433 AromaticContact CG-CZ 3.93Å; F431-F433 HydrophobicContact CG-CZ 3.93Å; F431-R435 HydrophobicContact CD2-CG 4.35Å; F431-Y497 HydrophobicContact CE1-CD1 4.25Å; F431-Y497 VanDerWaalsContact CE1-O 3.29Å; F431-Y497 WeakPolarHBondContact CE1-O 3.45Å; F431-Y497 HydrophobicContact CE2-CD1 4.09Å; F431-Y497 HydrophobicContact CE2-CE1 4.47Å; F431-Y497 AromaticContact CZ-CD1 3.65Å; F431-Y497 HydrophobicContact CZ-CD1 3.65Å; F431-Y497 HydrophobicContact CZ-CE1 4.44Å; F431-Y497 HydrophobicContact CZ-CG 4.39Å; F431-R500 HydrophobicContact CD1-CB 4.14Å; F431-R500 HydrophobicContact CD1-CG 4.46Å; F431-R500 HydrophobicContact CE1-CB 3.41Å; F431-R500 VanDerWaalsContact CE1-CB 3.41Å; F431-R500 HydrophobicContact CE1-CG 3.91Å; F431-R500 HydrophobicContact CE2-CG 4.27Å; F431-R500 HydrophobicContact CZ-CB 3.68Å; F431-R500 HydrophobicContact CZ-CG 3.79Å
432	D	92.3	Very high	76.1	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.027	21%	0.205	C	C	.	.	S	Bend	trans	-82.3	-22.1	171	-85.6	-23.6	0	0	0	112.3	H430 R450 T453 N488 H501 W517	H430-D432 IonicContact CD2-OD1 3.63Å; H430-D432 IonicContact NE2-OD1 3.9Å; D432-R450 WeakPolarHBondContact O-CD 3.37Å; D432-R450 PolarHBondContact O-NH1 3.11Å; D432-R450 IonicContact OD1-NH1 3.74Å; D432-T453 WeakPolarHBondContact OD2-CB 3.38Å; D432-T453 VanDerWaalsContact OD2-CG2 3.23Å; D432-T453 WeakPolarHBondContact OD2-CG2 3.22Å; D432-T453 PolarHBondContact OD2-OG1 2.97Å; D432-N488 WeakPolarHBondContact CB-ND2 3.28Å; D432-H501 IonicContact OD1-CE1 2.81Å; D432-H501 IonicContact OD1-NE2 2.65Å; D432-H501 IonicContact OD2-CE1 3.16Å; D432-H501 PolarHBondContact OD2-CE1 3.3Å; D432-H501 IonicContact OD2-NE2 2.87Å; D432-W517 PolarHBondContact OD1-NE1 3.1Å; D432-W517 VanDerWaalsContact OD1-NE1 3.15Å; D432-W517 PolarHBondContact OD2-NE1 3.16Å
433	F	89.6	Confident	75.3	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	-90.4	153.8	175.8	68	-91.3	0	0	0	111.6	F431 R435 N449 N488 L489 G495	F431-F433 HydrophobicContact CB-CD1 4.04Å; F431-F433 HydrophobicContact CB-CE1 3.94Å; F431-F433 HydrophobicContact CB-CG 4.49Å; F431-F433 HydrophobicContact CB-CZ 4.27Å; F431-F433 HydrophobicContact CD1-CD1 4.19Å; F431-F433 AromaticContact CD1-CE1 3.35Å; F431-F433 HydrophobicContact CD1-CE1 3.35Å; F431-F433 AromaticContact CD1-CZ 3.68Å; F431-F433 HydrophobicContact CD1-CZ 3.68Å; F431-F433 HydrophobicContact CE1-CE1 4.05Å; F431-F433 HydrophobicContact CE1-CZ 4.12Å; F431-F433 HydrophobicContact CG-CD1 4.43Å; F431-F433 AromaticContact CG-CE1 3.83Å; F431-F433 HydrophobicContact CG-CE1 3.83Å; F431-F433 AromaticContact CG-CZ 3.93Å; F431-F433 HydrophobicContact CG-CZ 3.93Å; F433-R435 HydrophobicContact CE2-CG 3.95Å; F433-N449 WeakPolarHBondContact CA-OD1 3.45Å; F433-N449 WeakPolarHBondContact CB-OD1 3.44Å; F433-N488 HydrophobicContact CB-CB 4.25Å; F433-N488 HydrophobicContact CD1-CB 4.03Å; F433-N488 WeakPolarHBondContact CD1-O 3.27Å; F433-L489 HydrophobicContact CB-CD2 3.68Å; F433-L489 HydrophobicContact CD2-CD2 4.29Å; F433-L489 HydrophobicContact CG-CD2 3.94Å; F433-G495 VanDerWaalsContact CE2-CA 3.47Å
434	S	83.1	Confident	74.5	Confident	15 Å²	15	55 Å²	55	11%	0.105	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-78.4	134.5	170.7	-77.6	0	0	0	0	111.1	T441 F442 N449	S434-T441 WeakPolarHBondContact OG-CB 3.39Å; S434-T441 PolarHBondContact OG-OG1 3.09Å; S434-F442 WeakPolarHBondContact OG-CD2 3.32Å; S434-F442 WeakPolarHBondContact OG-CE2 3.45Å; S434-N449 PolarHBondContact N-OD1 3.26Å; S434-N449 PolarHBondContact O-ND2 3.17Å
435	R	79.9	Confident	73.7	Confident	84 Å²	84	60 Å²	60	32%	0.317	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-81.9	165.8	179.3	-65.8	179.4	-61.9	154.7	11.6	111.8	F431 F433 D437 E438	F431-R435 HydrophobicContact CD2-CG 4.35Å; F433-R435 HydrophobicContact CE2-CG 3.95Å; R435-D437 WeakPolarHBondContact CB-OD1 3.24Å; R435-D437 IonicContact CZ-OD2 3.41Å; R435-D437 IonicContact NE-OD1 3.66Å; R435-D437 IonicContact NH2-OD2 3.18Å; R435-D437 PolarHBondContact O-N 2.87Å; R435-D437 VanDerWaalsContact O-N 3.12Å; R435-E438 IonicContact CZ-OE1 3.22Å; R435-E438 PolarHBondContact N-OE2 3.18Å; R435-E438 IonicContact NE-OE1 3.96Å; R435-E438 PolarHBondContact NE-OE1 2.86Å; R435-E438 IonicContact NH2-OE1 3.98Å; R435-E438 PolarHBondContact NH2-OE1 3.21Å; R435-E438 WeakPolarHBondContact O-CA 3.01Å; R435-E438 WeakPolarHBondContact O-CB 3.47Å; R435-E438 PolarHBondContact O-N 2.97Å
436	N	61.4	Low	73.2	Confident	86 Å²	86	61.8 Å²	61.8	46%	0.46	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.8	-174.5	-83.3	-29.2	0	0	0	114.8	R439 E494	N436-R439 WeakPolarHBondContact O-CD 3.39Å; N436-R439 WeakPolarHBondContact O-CG 3.41Å; N436-R439 PolarHBondContact O-NE 3.27Å; N436-E494 PolarHBondContact ND2-OE2 3.37Å
437	D	56.7	Low	72.9	Confident	115 Å²	115	63 Å²	63	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.3	170.2	54.6	-18.4	0	0	0	112.8	R435	R435-D437 WeakPolarHBondContact CB-OD1 3.24Å; R435-D437 IonicContact CZ-OD2 3.41Å; R435-D437 IonicContact NE-OD1 3.66Å; R435-D437 IonicContact NH2-OD2 3.18Å; R435-D437 PolarHBondContact O-N 2.87Å; R435-D437 VanDerWaalsContact O-N 3.12Å
438	E	58.8	Low	72.7	Confident	60 Å²	60	61.7 Å²	61.7	28%	0.28	30%	0.302	S	S	.	.			trans	-105	32.5	-177	-64	166.4	-164.5	0	0	112.3	R435 H440 T441	R435-E438 IonicContact CZ-OE1 3.22Å; R435-E438 PolarHBondContact N-OE2 3.18Å; R435-E438 IonicContact NE-OE1 3.96Å; R435-E438 PolarHBondContact NE-OE1 2.86Å; R435-E438 IonicContact NH2-OE1 3.98Å; R435-E438 PolarHBondContact NH2-OE1 3.21Å; R435-E438 WeakPolarHBondContact O-CA 3.01Å; R435-E438 WeakPolarHBondContact O-CB 3.47Å; R435-E438 PolarHBondContact O-N 2.97Å; E438-H440 PolarHBondContact O-N 3.34Å; E438-T441 PolarHBondContact O-N 3.16Å; E438-T441 PolarHBondContact O-OG1 2.86Å
439	R	50.9	Low	72.8	Confident	174 Å²	174	62.4 Å²	62.4	66%	0.657	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-0.5	-167.9	-61.4	-175.6	-176	-174.9	-2.7	117	N436 K443	N436-R439 WeakPolarHBondContact O-CD 3.39Å; N436-R439 WeakPolarHBondContact O-CG 3.41Å; N436-R439 PolarHBondContact O-NE 3.27Å; R439-K443 WeakPolarHBondContact O-CD 3.36Å; R439-K443 WeakPolarHBondContact O-CE 3.34Å; R439-K443 PolarHBondContact O-NZ 3.48Å
440	H	53.1	Low	72.8	Confident	117 Å²	117	63.6 Å²	63.6	54%	0.542	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-8.1	-174.9	-67.2	-97.2	0	0	0	114.6	E438 F442 K443	E438-H440 PolarHBondContact O-N 3.34Å; H440-F442 PolarHBondContact O-N 3.49Å; H440-K443 HydrophobicContact CB-CD 4.47Å; H440-K443 PolarHBondContact CE1-NZ 3.01Å; H440-K443 PolarHBondContact ND1-NZ 3.4Å; H440-K443 PolarHBondContact NE2-NZ 3.32Å; H440-K443 PolarHBondContact O-N 3.35Å
441	T	56.6	Low	73	Confident	42 Å²	42	62.4 Å²	62.4	26%	0.258	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-39.3	-169.9	-35.5	0	0	0	0	113.3	S434 E438	S434-T441 WeakPolarHBondContact OG-CB 3.39Å; S434-T441 PolarHBondContact OG-OG1 3.09Å; E438-T441 PolarHBondContact O-N 3.16Å; E438-T441 PolarHBondContact O-OG1 2.86Å
442	F	59.1	Low	73.2	Confident	28 Å²	28	60.8 Å²	60.8	12%	0.123	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	2.2	179.5	-57.1	-68.3	0	0	0	114.4	S434 H440 H444 L445 G446 G448 N449 R450 H519	S434-F442 WeakPolarHBondContact OG-CD2 3.32Å; S434-F442 WeakPolarHBondContact OG-CE2 3.45Å; H440-F442 PolarHBondContact O-N 3.49Å; F442-H444 PolarHBondContact O-N 3.42Å; F442-L445 HydrophobicContact CD1-CD1 3.9Å; F442-L445 PolarHBondContact O-N 2.88Å; F442-G446 PolarHBondContact O-N 3.22Å; F442-G448 WeakPolarHBondContact CB-O 3.21Å; F442-N449 VanDerWaalsContact CE2-OD1 3.28Å; F442-N449 WeakPolarHBondContact CE2-OD1 3.04Å; F442-R450 HydrophobicContact CE1-CG 4.27Å; F442-R450 HydrophobicContact CZ-CG 3.98Å; F442-H519 AromaticContact CD1-CE1 3.75Å; F442-H519 AromaticContact CE1-CE1 3.96Å
443	K	59.9	Low	73.4	Confident	126 Å²	126	60.5 Å²	60.5	55%	0.548	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.8	-177.9	-84.1	-175.2	178.7	160.7	0	112.5	R439 H440	R439-K443 WeakPolarHBondContact O-CD 3.36Å; R439-K443 WeakPolarHBondContact O-CE 3.34Å; R439-K443 PolarHBondContact O-NZ 3.48Å; H440-K443 HydrophobicContact CB-CD 4.47Å; H440-K443 PolarHBondContact CE1-NZ 3.01Å; H440-K443 PolarHBondContact ND1-NZ 3.4Å; H440-K443 PolarHBondContact NE2-NZ 3.32Å; H440-K443 PolarHBondContact O-N 3.35Å
444	H	58	Low	73.9	Confident	175 Å²	175	60.2 Å²	60.2	81%	0.81	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.3	179.2	-63.2	-69.1	0	0	0	113.6	F442	F442-H444 PolarHBondContact O-N 3.42Å
445	L	65.1	Low	74.6	Confident	105 Å²	105	60.2 Å²	60.2	55%	0.55	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-27.5	178.7	-72.3	162	0	0	0	111.9	F442 T447	F442-L445 HydrophobicContact CD1-CD1 3.9Å; F442-L445 PolarHBondContact O-N 2.88Å; L445-T447 PolarHBondContact O-N 2.86Å; L445-T447 VanDerWaalsContact O-N 3.13Å
446	G	73.9	Confident	75.5	Confident	36 Å²	36	56.2 Å²	56.2	37%	0.371	28%	0.279	S	S	.	.	S	Bend	trans	65.1	14.9	179.9	0	0	0	0	0	113.7	F442 R521	F442-G446 PolarHBondContact O-N 3.22Å; G446-R521 VanDerWaalsContact C-NH1 3.33Å; G446-R521 WeakPolarHBondContact O-CD 3.49Å; G446-R521 PolarHBondContact O-NH1 2.91Å
447	T	80.1	Confident	77.2	Confident	27 Å²	27	52.2 Å²	52.2	17%	0.166	26%	0.257	C	S	.	.	S	Bend	trans	-101.9	-6.6	179.7	50.8	0	0	0	0	113.3	T412 L445 H519 R521	T412-T447 HydrophobicContact CG2-CG2 4.44Å; L445-T447 PolarHBondContact O-N 2.86Å; L445-T447 VanDerWaalsContact O-N 3.13Å; T447-H519 WeakPolarHBondContact O-CB 3.16Å; T447-H519 PolarHBondContact OG1-CE1 2.82Å; T447-H519 PolarHBondContact OG1-ND1 3.25Å; T447-R521 WeakPolarHBondContact O-CB 3.44Å; T447-R521 WeakPolarHBondContact O-CG 3.41Å; T447-R521 PolarHBondContact O-N 3.47Å; T447-R521 VanDerWaalsContact O-N 3.16Å
448	G	84.4	Confident	79.1	Confident	9 Å²	9	46.7 Å²	46.7	9%	0.093	23%	0.228	C	C	.	.			trans	83.1	-169.5	-179.6	0	0	0	0	0	112.8	F442 H519 E520	F442-G448 WeakPolarHBondContact CB-O 3.21Å; G448-H519 PolarHBondContact O-ND1 2.78Å; G448-E520 VanDerWaalsContact CA-OE1 3.25Å; G448-E520 WeakPolarHBondContact CA-OE1 3.41Å
449	N	89.1	Confident	80.8	Confident	27 Å²	27	44.5 Å²	44.5	14%	0.144	22%	0.219	C	C	.	.	S	Bend	trans	-76.4	162.3	-177.8	-151.8	-11.6	0	0	0	112	F433 S434 F442 V451 L489 H519 E520	F433-N449 WeakPolarHBondContact CA-OD1 3.45Å; F433-N449 WeakPolarHBondContact CB-OD1 3.44Å; S434-N449 PolarHBondContact N-OD1 3.26Å; S434-N449 PolarHBondContact O-ND2 3.17Å; F442-N449 VanDerWaalsContact CE2-OD1 3.28Å; F442-N449 WeakPolarHBondContact CE2-OD1 3.04Å; N449-V451 PolarHBondContact O-N 3.39Å; N449-L489 HydrophobicContact CB-CD1 4.03Å; N449-H519 WeakPolarHBondContact O-CA 3.2Å; N449-E520 PolarHBondContact N-OE1 3.31Å; N449-E520 PolarHBondContact O-N 2.97Å
450	R	93.3	Very high	82.8	Confident	35 Å²	35	40.5 Å²	40.5	13%	0.132	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	109.1	178.9	-71.5	164.5	167	-173.6	-2.6	109.8	E414 D432 F442 N488 L489 W517 F518	E414-R450 IonicContact OE1-CZ 2.8Å; E414-R450 VanDerWaalsContact OE1-CZ 3.26Å; E414-R450 IonicContact OE1-NE 3.59Å; E414-R450 PolarHBondContact OE1-NE 3.01Å; E414-R450 IonicContact OE1-NH2 3.36Å; E414-R450 PolarHBondContact OE1-NH2 2.82Å; E414-R450 IonicContact OE2-CZ 3.46Å; E414-R450 IonicContact OE2-NE 2.8Å; E414-R450 IonicContact OE2-NH2 2.7Å; E414-R450 PolarHBondContact OE2-NH2 3.22Å; D432-R450 WeakPolarHBondContact O-CD 3.37Å; D432-R450 PolarHBondContact O-NH1 3.11Å; D432-R450 IonicContact OD1-NH1 3.74Å; F442-R450 HydrophobicContact CE1-CG 4.27Å; F442-R450 HydrophobicContact CZ-CG 3.98Å; R450-N488 VanDerWaalsContact O-CB 3.31Å; R450-N488 WeakPolarHBondContact O-CB 3.32Å; R450-L489 WeakPolarHBondContact O-CG 3.26Å; R450-W517 HydrophobicContact CG-CB 3.99Å; R450-W517 HydrophobicContact CG-CG 4.36Å; R450-W517 VanDerWaalsContact CZ-CD2 3.42Å; R450-W517 VanDerWaalsContact NH2-CE3 3.25Å; R450-F518 CarbonylContact C-O 3.51Å; R450-F518 VanDerWaalsContact CA-O 3.3Å; R450-F518 WeakPolarHBondContact CA-O 3.38Å
451	V	94.8	Very high	84.6	Confident	3 Å²	3	36 Å²	36	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-31.3	-176.6	70.4	0	0	0	0	113.2	L408 N449 Y487 N488 L489 F518 E520 Q523	L408-V451 HydrophobicContact CD1-CG1 4.34Å; N449-V451 PolarHBondContact O-N 3.39Å; V451-Y487 HydrophobicContact CG2-CD1 4.32Å; V451-Y487 CarbonylContact O-C 3.38Å; V451-Y487 WeakPolarHBondContact O-CA 3.48Å; V451-N488 PolarHBondContact O-N 2.75Å; V451-L489 HydrophobicContact CB-CD1 4.15Å; V451-L489 HydrophobicContact CG2-CB 4.38Å; V451-L489 HydrophobicContact CG2-CD1 4.33Å; V451-L489 PolarHBondContact O-N 2.85Å; V451-F518 HydrophobicContact CG1-CB 3.98Å; V451-F518 WeakPolarHBondContact CG1-O 3.36Å; V451-F518 PolarHBondContact N-O 2.93Å; V451-E520 HydrophobicContact CB-CB 4.27Å; V451-Q523 HydrophobicContact CG1-CG 4.43Å
452	A	96.8	Very high	86.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.3	-176.4	0	0	0	0	0	112.2	L408 F485 W486 Y487 F518	L408-A452 HydrophobicContact CD1-CB 3.87Å; A452-F485 HydrophobicContact CB-CE2 3.57Å; A452-F485 HydrophobicContact CB-CZ 3.83Å; A452-W486 WeakPolarHBondContact CA-O 3.43Å; A452-W486 WeakPolarHBondContact CB-O 3.18Å; A452-Y487 HydrophobicContact CB-CD1 3.79Å; A452-Y487 HydrophobicContact CB-CE1 4.08Å; A452-F518 HydrophobicContact CB-CB 4.42Å; A452-F518 PolarHBondContact O-N 3.3Å
453	T	97.9	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.3	177.7	-59.8	0	0	0	0	109.7	D432 F485 W486 N488 N515	D432-T453 WeakPolarHBondContact OD2-CB 3.38Å; D432-T453 VanDerWaalsContact OD2-CG2 3.23Å; D432-T453 WeakPolarHBondContact OD2-CG2 3.22Å; D432-T453 PolarHBondContact OD2-OG1 2.97Å; T453-F485 WeakPolarHBondContact O-CA 2.88Å; T453-F485 WeakPolarHBondContact O-CD2 3.33Å; T453-W486 VanDerWaalsContact CB-CZ2 3.43Å; T453-W486 HydrophobicContact CG2-CH2 3.42Å; T453-W486 VanDerWaalsContact CG2-CH2 3.42Å; T453-W486 HydrophobicContact CG2-CZ2 3.36Å; T453-W486 HydrophobicContact CG2-CZ3 4.12Å; T453-W486 PolarHBondContact N-O 2.69Å; T453-W486 PolarHBondContact O-N 2.85Å; T453-N488 PolarHBondContact OG1-ND2 3.48Å; T453-N488 PolarHBondContact OG1-OD1 2.82Å; T453-N515 WeakPolarHBondContact CG2-OD1 3.09Å
454	F	98.2	Very high	89.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	106.8	175.2	-162.5	-73.4	0	0	0	109.2	Y341 V344 M402 I405 T406 N456 A483 F485 N515 K516 F518	Y341-F454 HydrophobicContact CD2-CE2 4.05Å; Y341-F454 HydrophobicContact CD2-CZ 4.18Å; Y341-F454 HydrophobicContact CE2-CE2 4.11Å; V344-F454 HydrophobicContact CG1-CE1 4.12Å; V344-F454 HydrophobicContact CG1-CZ 4.23Å; M402-F454 HydrophobicContact CG-CD1 3.79Å; M402-F454 HydrophobicContact CG-CE1 3.75Å; M402-F454 HydrophobicContact CG-CG 4.24Å; M402-F454 HydrophobicContact CG-CZ 4.2Å; M402-F454 HydrophobicContact SD-CB 4.29Å; M402-F454 HydrophobicContact SD-CD1 3.59Å; M402-F454 VanDerWaalsContact SD-CD1 3.59Å; M402-F454 HydrophobicContact SD-CE1 4.13Å; M402-F454 HydrophobicContact SD-CG 4.03Å; I405-F454 HydrophobicContact CB-CE2 4.25Å; I405-F454 HydrophobicContact CD1-CE2 4.49Å; I405-F454 HydrophobicContact CD1-CZ 3.96Å; I405-F454 HydrophobicContact CG2-CE2 3.78Å; I405-F454 HydrophobicContact CG2-CZ 4.22Å; T406-F454 HydrophobicContact CG2-CD2 3.48Å; T406-F454 VanDerWaalsContact CG2-CD2 3.48Å; T406-F454 HydrophobicContact CG2-CE2 3.8Å; F454-N456 VanDerWaalsContact CE1-OD1 3.28Å; F454-N456 WeakPolarHBondContact CE1-OD1 3.23Å; F454-A483 HydrophobicContact CD1-CB 3.96Å; F454-A483 HydrophobicContact CE1-CB 3.22Å; F454-A483 HydrophobicContact CZ-CB 3.66Å; F454-F485 HydrophobicContact CB-CD2 4.19Å; F454-F485 HydrophobicContact CD2-CB 4.05Å; F454-F485 AromaticContact CD2-CD2 3.63Å; F454-F485 HydrophobicContact CD2-CD2 3.63Å; F454-F485 HydrophobicContact CD2-CE2 4.48Å; F454-F485 HydrophobicContact CD2-CG 4.17Å; F454-F485 HydrophobicContact CE2-CB 4.38Å; F454-F485 HydrophobicContact CG-CD2 4.35Å; F454-N515 PolarHBondContact O-OD1 2.9Å; F454-K516 HydrophobicContact CB-CB 4.34Å; F454-K516 PolarHBondContact N-O 2.82Å; F454-K516 PolarHBondContact O-N 2.91Å; F454-F518 HydrophobicContact CB-CE2 3.85Å
455	L	98.3	Very high	90.9	Very high	16 Å²	16	24.9 Å²	24.9	8%	0.084	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.6	-172.7	-177	69.2	0	0	0	110.4	Y457 T467 A483 V484 W486 V513 N515	L455-Y457 HydrophobicContact CD2-CE1 4.26Å; L455-T467 HydrophobicContact CD2-CG2 4.38Å; L455-A483 CarbonylContact O-C 3.33Å; L455-A483 WeakPolarHBondContact O-CA 3.45Å; L455-V484 PolarHBondContact N-O 3Å; L455-V484 PolarHBondContact O-N 3.06Å; L455-W486 HydrophobicContact CB-CH2 4.24Å; L455-W486 HydrophobicContact CB-CZ3 4.1Å; L455-W486 HydrophobicContact CD2-CH2 4.47Å; L455-V513 HydrophobicContact CD1-CB 3.81Å; L455-V513 HydrophobicContact CD1-CG1 4.32Å; L455-V513 HydrophobicContact CD1-CG2 3.97Å; L455-N515 HydrophobicContact CD1-CB 4.12Å
456	N	98.3	Very high	92.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.3	172.9	-56.3	-63.5	0	0	0	110.9	M345 M402 F454 A483 V513 S514	M345-N456 HydrophobicContact SD-CB 3.64Å; M402-N456 WeakPolarHBondContact CE-ND2 3.23Å; F454-N456 VanDerWaalsContact CE1-OD1 3.28Å; F454-N456 WeakPolarHBondContact CE1-OD1 3.23Å; N456-A483 VanDerWaalsContact OD1-CB 3.24Å; N456-A483 WeakPolarHBondContact OD1-CB 3.49Å; N456-V513 CarbonylContact O-C 3.47Å; N456-V513 WeakPolarHBondContact O-CA 3.06Å; N456-V513 VanDerWaalsContact O-CB 3.3Å; N456-V513 WeakPolarHBondContact O-CB 3.09Å; N456-S514 WeakPolarHBondContact CB-OG 3.4Å; N456-S514 PolarHBondContact N-O 3.04Å; N456-S514 PolarHBondContact ND2-OG 3.22Å; N456-S514 PolarHBondContact O-N 3.37Å
457	Y	98	Very high	93.4	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.7	167.9	-64	-67.5	0	0	0	110.2	L455 T467 I476 P478 K479 G481 T482 V484 V513	L455-Y457 HydrophobicContact CD2-CE1 4.26Å; Y457-T467 WeakPolarHBondContact OH-CB 3.43Å; Y457-T467 PolarHBondContact OH-OG1 3.22Å; Y457-I476 PolarHBondContact OH-O 3.45Å; Y457-P478 HydrophobicContact CD1-CB 3.6Å; Y457-P478 HydrophobicContact CD1-CG 4.17Å; Y457-P478 HydrophobicContact CE1-CB 3.89Å; Y457-P478 HydrophobicContact CE1-CG 3.99Å; Y457-P478 HydrophobicContact CG-CB 4.1Å; Y457-K479 VanDerWaalsContact CB-O 3.29Å; Y457-K479 WeakPolarHBondContact CB-O 3.44Å; Y457-G481 PolarHBondContact O-N 3.03Å; Y457-T482 WeakPolarHBondContact CD2-OG1 3.31Å; Y457-T482 PolarHBondContact N-O 2.88Å; Y457-V484 HydrophobicContact CD2-CG2 4.41Å; Y457-V484 HydrophobicContact CE2-CG2 3.52Å; Y457-V513 HydrophobicContact CD1-CG1 3.79Å; Y457-V513 HydrophobicContact CE1-CG1 4.24Å
458	M	97.2	Very high	94.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.			trans	-108.1	5.7	-174.4	-64.2	-164.2	-54.7	0	0	113.2	M345 I350 I353 K354 V418 W512	M345-M458 HydrophobicContact CE-CG 4.44Å; M345-M458 HydrophobicContact CE-SD 3.97Å; M345-M458 HydrophobicContact SD-CG 4.36Å; M345-M458 HydrophobicContact SD-SD 4.44Å; I350-M458 HydrophobicContact CG1-CB 4.36Å; I350-M458 HydrophobicContact CG1-CG 4.21Å; I350-M458 HydrophobicContact CG2-CB 3.87Å; I350-M458 HydrophobicContact CG2-CG 4.45Å; I350-M458 VanDerWaalsContact CG2-O 3.28Å; I350-M458 WeakPolarHBondContact CG2-O 3.35Å; I353-M458 HydrophobicContact CG2-CE 4.17Å; I353-M458 HydrophobicContact CG2-SD 3.92Å; K354-M458 WeakPolarHBondContact CE-O 3.46Å; K354-M458 PolarHBondContact NZ-O 3.44Å; V418-M458 HydrophobicContact CG1-CE 3.69Å; V418-M458 HydrophobicContact CG2-CE 4.39Å; M458-W512 WeakPolarHBondContact CA-O 3.34Å; M458-W512 HydrophobicContact CB-CB 3.86Å; M458-W512 HydrophobicContact CE-CB 4.29Å; M458-W512 HydrophobicContact CE-CE3 4.48Å; M458-W512 PolarHBondContact N-O 3.07Å
459	S	94.2	Very high	94.7	Very high	13 Å²	13	16.6 Å²	16.6	9%	0.091	9%	0.087	C	C	.	.	S	Bend	trans	-149.1	154.5	170.4	56.8	0	0	0	0	110.3	C510 K511 W512	S459-C510 VanDerWaalsContact CB-O 3.31Å; S459-C510 WeakPolarHBondContact CB-O 3.47Å; S459-C510 PolarHBondContact OG-O 3.47Å; S459-K511 WeakPolarHBondContact OG-CA 3.41Å; S459-W512 PolarHBondContact OG-N 3.34Å
460	D	92.1	Very high	94.9	Very high	91 Å²	91	15.7 Å²	15.7	49%	0.487	8%	0.083	S	C	.	.			trans	-79.3	146.5	161.5	-63.7	-54.4	0	0	0	108.1	K480	D460-K480 WeakPolarHBondContact OD1-CB 3.22Å; D460-K480 PolarHBondContact OD1-N 2.88Å; D460-K480 WeakPolarHBondContact OD2-CB 3.43Å
461	V	91.1	Very high	94.8	Very high	21 Å²	21	18.3 Å²	18.3	13%	0.127	10%	0.099	C	C	.	.			trans	-123.1	120.3	179.1	-179.4	0	0	0	0	107.2	A463 P478 V506 K511	V461-A463 WeakPolarHBondContact CG1-O 3.35Å; V461-P478 HydrophobicContact CB-CB 4.33Å; V461-P478 HydrophobicContact CB-CG 4.21Å; V461-P478 HydrophobicContact CG2-CB 3.92Å; V461-P478 HydrophobicContact CG2-CG 3.94Å; V461-V506 HydrophobicContact CG1-CG1 3.95Å; V461-K511 HydrophobicContact CG2-CB 3.77Å; V461-K511 HydrophobicContact CG2-CG 4.15Å
462	E	90.1	Very high	94.5	Very high	120 Å²	120	19.4 Å²	19.4	56%	0.561	11%	0.105	S	C	*	.	S	Bend	trans	-67	-41.4	-173.7	-68.3	85.5	162.5	0	0	112	V508 G509	E462-V508 HydrophobicContact CB-CB 4.28Å; E462-V508 HydrophobicContact CB-CG1 3.96Å; E462-V508 PolarHBondContact N-O 2.81Å; E462-G509 WeakPolarHBondContact OE2-CA 3.43Å
463	A	90.7	Very high	94.2	Very high	15 Å²	15	19.7 Å²	19.7	12%	0.124	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	140.6	174	0	0	0	0	0	112.3	V461 L507 V508	V461-A463 WeakPolarHBondContact CG1-O 3.35Å; A463-L507 HydrophobicContact CB-CB 4.08Å; A463-L507 HydrophobicContact CB-CD2 4.09Å; A463-L507 HydrophobicContact CB-CG 4.25Å; A463-L507 WeakPolarHBondContact O-CB 3.18Å; A463-L507 PolarHBondContact O-N 2.9Å; A463-V508 HydrophobicContact CB-CB 3.98Å; A463-V508 HydrophobicContact CB-CG2 4.3Å; A463-V508 PolarHBondContact N-O 2.93Å; A463-V508 PolarHBondContact O-N 3.31Å; A463-V508 VanDerWaalsContact O-O 3.11Å
464	G	92.3	Very high	93.9	Very high	4 Å²	4	20 Å²	20	4%	0.041	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77	-158.6	-178.8	0	0	0	0	0	113.9	Y143 A466 W477	Y143-G464 WeakPolarHBondContact OH-CA 3.25Å; G464-A466 VanDerWaalsContact C-N 3.29Å; G464-A466 PolarHBondContact O-N 3.19Å; G464-W477 WeakPolarHBondContact O-CZ3 3.42Å
465	G	93.9	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.			trans	72.6	10.2	173.4	0	0	0	0	0	116.4	P478 C504 P505 K511	G465-P478 WeakPolarHBondContact O-CG 3.32Å; G465-C504 WeakPolarHBondContact CA-O 3.29Å; G465-P505 PolarHBondContact N-O 2.78Å; G465-K511 WeakPolarHBondContact O-CD 3.43Å; G465-K511 WeakPolarHBondContact O-CE 3.04Å; G465-K511 PolarHBondContact O-NZ 2.78Å
466	A	95.4	Very high	93.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.			trans	-56.9	150.2	175.7	0	0	0	0	0	113	G464 V468 I476 W477 C504	G464-A466 VanDerWaalsContact C-N 3.29Å; G464-A466 PolarHBondContact O-N 3.19Å; A466-V468 HydrophobicContact CB-CG1 3.98Å; A466-I476 WeakPolarHBondContact CA-O 3.49Å; A466-W477 HydrophobicContact CB-CD2 4.01Å; A466-W477 HydrophobicContact CB-CE3 3.9Å; A466-W477 HydrophobicContact CB-CH2 4.3Å; A466-W477 HydrophobicContact CB-CZ2 4.41Å; A466-W477 HydrophobicContact CB-CZ3 4.05Å; A466-C504 HydrophobicContact CB-CB 4.39Å; A466-C504 WeakPolarHBondContact O-CB 3.33Å; A466-C504 PolarHBondContact O-N 2.88Å
467	T	96.4	Very high	93.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.6	161.7	-58.6	0	0	0	0	107.4	L455 Y457 F469 I476 A502	L455-T467 HydrophobicContact CD2-CG2 4.38Å; Y457-T467 WeakPolarHBondContact OH-CB 3.43Å; Y457-T467 PolarHBondContact OH-OG1 3.22Å; T467-F469 HydrophobicContact CG2-CE2 4.13Å; T467-I476 PolarHBondContact N-O 3.05Å; T467-I476 PolarHBondContact O-N 3.42Å; T467-A502 CarbonylContact C-O 3.5Å; T467-A502 WeakPolarHBondContact CA-O 3.45Å
468	V	96.1	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.6	-173.4	-61.5	0	0	0	0	111.2	Y290 L293 A466 A474 A475 H501 A502 C504	Y290-V468 HydrophobicContact CD2-CG2 3.75Å; Y290-V468 HydrophobicContact CE2-CG2 4.02Å; L293-V468 HydrophobicContact CB-CB 3.84Å; L293-V468 HydrophobicContact CB-CG1 3.7Å; L293-V468 HydrophobicContact CB-CG2 4.35Å; L293-V468 HydrophobicContact CD1-CB 4.18Å; A466-V468 HydrophobicContact CB-CG1 3.98Å; V468-A474 CarbonylContact C-O 3.51Å; V468-A474 WeakPolarHBondContact CA-O 3.31Å; V468-A475 HydrophobicContact CG1-CB 3.88Å; V468-H501 CarbonylContact O-C 3.58Å; V468-H501 WeakPolarHBondContact O-CA 3.38Å; V468-H501 WeakPolarHBondContact O-CB 3.45Å; V468-A502 HydrophobicContact CG2-CB 3.85Å; V468-A502 PolarHBondContact N-O 2.73Å; V468-A502 PolarHBondContact O-N 2.93Å; V468-C504 WeakPolarHBondContact CG1-SG 2.98Å
469	F	95.3	Very high	93.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	92	176.9	-66.7	-101.3	0	0	0	108.4	I338 T467 D471 L472 G473 A474 I476 W486 R500 H501	I338-F469 HydrophobicContact CD1-CD1 4.03Å; I338-F469 HydrophobicContact CD1-CD2 3.95Å; I338-F469 HydrophobicContact CD1-CE1 3.91Å; I338-F469 HydrophobicContact CD1-CE2 3.85Å; I338-F469 HydrophobicContact CD1-CG 4.05Å; I338-F469 HydrophobicContact CD1-CZ 3.83Å; T467-F469 HydrophobicContact CG2-CE2 4.13Å; F469-D471 PolarHBondContact O-N 3.49Å; F469-L472 HydrophobicContact CB-CB 3.99Å; F469-L472 HydrophobicContact CB-CD1 3.87Å; F469-L472 HydrophobicContact CB-CG 4.13Å; F469-L472 HydrophobicContact CD1-CD1 4.23Å; F469-L472 HydrophobicContact CG-CD1 4.2Å; F469-L472 PolarHBondContact O-N 3.19Å; F469-G473 PolarHBondContact O-N 2.97Å; F469-A474 HydrophobicContact CB-CB 4.27Å; F469-A474 HydrophobicContact CD2-CB 4.46Å; F469-A474 PolarHBondContact N-O 3.23Å; F469-A474 PolarHBondContact O-N 3.3Å; F469-I476 HydrophobicContact CD2-CD1 4.33Å; F469-I476 HydrophobicContact CE2-CD1 3.75Å; F469-W486 HydrophobicContact CE1-CD2 4.3Å; F469-W486 HydrophobicContact CE1-CG 4.39Å; F469-W486 AromaticContact CZ-CD2 3.97Å; F469-W486 HydrophobicContact CZ-CD2 3.97Å; F469-W486 HydrophobicContact CZ-CE3 4.1Å; F469-W486 HydrophobicContact CZ-CG 4.4Å; F469-W486 HydrophobicContact CZ-CZ3 4.44Å; F469-R500 WeakPolarHBondContact CA-O 3.38Å; F469-H501 HydrophobicContact CD1-CB 3.71Å; F469-H501 HydrophobicContact CD2-CB 4.49Å; F469-H501 HydrophobicContact CE1-CB 3.64Å; F469-H501 HydrophobicContact CE2-CB 4.41Å; F469-H501 HydrophobicContact CG-CB 4.15Å; F469-H501 HydrophobicContact CZ-CB 4Å
470	P	92.8	Very high	93.3	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.045	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-47.4	-172	-30.3	37.6	0	0	0	114.3	V289 L293 P429 L472 G473 R500	V289-P470 HydrophobicContact CG1-CB 4.4Å; L293-P470 VanDerWaalsContact CD1-CA 3.49Å; L293-P470 HydrophobicContact CD1-CB 4.41Å; P429-P470 HydrophobicContact CB-CG 4.33Å; P429-P470 HydrophobicContact CG-CG 4.08Å; P470-L472 PolarHBondContact O-N 3.06Å; P470-G473 PolarHBondContact O-N 3.25Å; P470-R500 WeakPolarHBondContact CD-O 3.48Å
471	D	90.6	Very high	93.6	Very high	91 Å²	91	29.7 Å²	29.7	49%	0.487	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.8	-177.1	-62	-22.7	0	0	0	113.2	F469	F469-D471 PolarHBondContact O-N 3.49Å
472	L	89.6	Confident	93.9	Very high	25 Å²	25	28.8 Å²	28.8	13%	0.131	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-26.5	178.9	-60.7	179.9	0	0	0	112.6	W333 P336 I338 F469 P470 A474 R498	W333-L472 WeakPolarHBondContact CH2-O 3.07Å; W333-L472 HydrophobicContact CZ2-CB 4.01Å; W333-L472 WeakPolarHBondContact CZ2-O 3.34Å; P336-L472 HydrophobicContact CG-CD1 3.85Å; I338-L472 HydrophobicContact CD1-CD1 3.92Å; F469-L472 HydrophobicContact CB-CB 3.99Å; F469-L472 HydrophobicContact CB-CD1 3.87Å; F469-L472 HydrophobicContact CB-CG 4.13Å; F469-L472 HydrophobicContact CD1-CD1 4.23Å; F469-L472 HydrophobicContact CG-CD1 4.2Å; F469-L472 PolarHBondContact O-N 3.19Å; P470-L472 PolarHBondContact O-N 3.06Å; L472-A474 VanDerWaalsContact C-N 3.31Å; L472-A474 HydrophobicContact CB-CB 4.22Å; L472-R498 HydrophobicContact CD2-CB 4.01Å; L472-R498 WeakPolarHBondContact CG-O 3.46Å
473	G	90.2	Very high	94.3	Very high	6 Å²	6	23.1 Å²	23.1	6%	0.062	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	21.6	-167.6	0	0	0	0	0	113.6	L293 V299 F469 P470	L293-G473 WeakPolarHBondContact CD2-O 3.39Å; V299-G473 PolarHBondContact N-O 2.65Å; F469-G473 PolarHBondContact O-N 2.97Å; P470-G473 PolarHBondContact O-N 3.25Å
474	A	90.9	Very high	94.6	Very high	6 Å²	6	22.4 Å²	22.4	5%	0.05	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.4	180	0	0	0	0	0	111.7	W333 V468 F469 L472	W333-A474 HydrophobicContact CD2-CB 3.98Å; W333-A474 HydrophobicContact CE3-CB 3.59Å; W333-A474 HydrophobicContact CH2-CB 4.23Å; W333-A474 HydrophobicContact CZ3-CB 3.73Å; V468-A474 CarbonylContact C-O 3.51Å; V468-A474 WeakPolarHBondContact CA-O 3.31Å; F469-A474 HydrophobicContact CB-CB 4.27Å; F469-A474 HydrophobicContact CD2-CB 4.46Å; F469-A474 PolarHBondContact N-O 3.23Å; F469-A474 PolarHBondContact O-N 3.3Å; L472-A474 VanDerWaalsContact C-N 3.31Å; L472-A474 HydrophobicContact CB-CB 4.22Å
475	A	93.7	Very high	94.9	Very high	30 Å²	30	22.7 Å²	22.7	25%	0.248	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.1	176.8	0	0	0	0	0	110.4	V468	V468-A475 HydrophobicContact CG1-CB 3.88Å
476	I	94.5	Very high	95.1	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	109.5	-172.9	-54.8	178.2	0	0	0	108.3	E332 I338 Y457 A466 T467 F469 V484	E332-I476 HydrophobicContact CB-CD1 4.04Å; E332-I476 HydrophobicContact CB-CG1 4.42Å; E332-I476 HydrophobicContact CG-CD1 4.25Å; E332-I476 HydrophobicContact CG-CG2 4.37Å; I338-I476 HydrophobicContact CG2-CD1 3.59Å; Y457-I476 PolarHBondContact OH-O 3.45Å; A466-I476 WeakPolarHBondContact CA-O 3.49Å; T467-I476 PolarHBondContact N-O 3.05Å; T467-I476 PolarHBondContact O-N 3.42Å; F469-I476 HydrophobicContact CD2-CD1 4.33Å; F469-I476 HydrophobicContact CE2-CD1 3.75Å; I476-V484 HydrophobicContact CD1-CG1 3.84Å; I476-V484 HydrophobicContact CG2-CG2 3.67Å
477	W	94.4	Very high	95.1	Very high	113 Å²	113	26.2 Å²	26.2	43%	0.428	13%	0.128	S	C	.	.			trans	-79.4	140.5	-175.3	-65.8	93.1	0	0	0	111.7	C294 R340 G464 A466	C294-W477 WeakPolarHBondContact O-CH2 3.45Å; R340-W477 PolarHBondContact NH1-O 2.89Å; R340-W477 VanDerWaalsContact NH1-O 3.15Å; R340-W477 PolarHBondContact NH2-O 3.01Å; G464-W477 WeakPolarHBondContact O-CZ3 3.42Å; A466-W477 HydrophobicContact CB-CD2 4.01Å; A466-W477 HydrophobicContact CB-CE3 3.9Å; A466-W477 HydrophobicContact CB-CH2 4.3Å; A466-W477 HydrophobicContact CB-CZ2 4.41Å; A466-W477 HydrophobicContact CB-CZ3 4.05Å
478	P	95.2	Very high	95.1	Very high	15 Å²	15	26 Å²	26	10%	0.097	13%	0.127	C	C	.	.			trans	-62.1	137.2	178.4	-21.8	35.2	0	0	0	111.2	Y457 V461 G465	Y457-P478 HydrophobicContact CD1-CB 3.6Å; Y457-P478 HydrophobicContact CD1-CG 4.17Å; Y457-P478 HydrophobicContact CE1-CB 3.89Å; Y457-P478 HydrophobicContact CE1-CG 3.99Å; Y457-P478 HydrophobicContact CG-CB 4.1Å; V461-P478 HydrophobicContact CB-CB 4.33Å; V461-P478 HydrophobicContact CB-CG 4.21Å; V461-P478 HydrophobicContact CG2-CB 3.92Å; V461-P478 HydrophobicContact CG2-CG 3.94Å; G465-P478 WeakPolarHBondContact O-CG 3.32Å
479	K	96.6	Very high	94.9	Very high	105 Å²	105	26.1 Å²	26.1	46%	0.457	13%	0.128	S	C	.	.			trans	-140.6	119.9	170.5	-178.5	177.1	177.9	177.9	0	108.7	Y342 Y457 G481 T482	Y342-K479 HydrophobicContact CD1-CD 4.47Å; Y342-K479 HydrophobicContact CE1-CD 3.97Å; Y457-K479 VanDerWaalsContact CB-O 3.29Å; Y457-K479 WeakPolarHBondContact CB-O 3.44Å; K479-G481 PolarHBondContact O-N 3.07Å; K479-T482 HydrophobicContact CB-CG2 3.93Å; K479-T482 HydrophobicContact CD-CG2 3.87Å; K479-T482 HydrophobicContact CG-CG2 3.85Å; K479-T482 WeakPolarHBondContact O-CB 3.37Å; K479-T482 PolarHBondContact O-N 3.06Å; K479-T482 VanDerWaalsContact O-N 3.12Å; K479-T482 PolarHBondContact O-OG1 3.36Å
480	K	97.7	Very high	94.7	Very high	52 Å²	52	27.7 Å²	27.7	23%	0.226	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	138.3	-175.7	-168.2	-176.3	-175.9	-160.4	0	111.3	D347 I350 D460 T482	D347-K480 WeakPolarHBondContact OD1-CE 3.31Å; D347-K480 IonicContact OD1-NZ 2.73Å; D347-K480 PolarHBondContact OD1-NZ 3.36Å; D347-K480 IonicContact OD2-NZ 3.92Å; I350-K480 HydrophobicContact CD1-CG 3.89Å; D460-K480 WeakPolarHBondContact OD1-CB 3.22Å; D460-K480 PolarHBondContact OD1-N 2.88Å; D460-K480 WeakPolarHBondContact OD2-CB 3.43Å; K480-T482 PolarHBondContact O-N 3.33Å
481	G	97.6	Very high	94.5	Very high	8 Å²	8	31.6 Å²	31.6	8%	0.082	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-4.5	178.8	0	0	0	0	0	114.6	D343 V344 M345 Y457 K479	D343-G481 PolarHBondContact N-O 2.96Å; V344-G481 PolarHBondContact N-O 3.08Å; M345-G481 PolarHBondContact N-O 2.72Å; Y457-G481 PolarHBondContact O-N 3.03Å; K479-G481 PolarHBondContact O-N 3.07Å
482	T	98	Very high	94.3	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	15%	0.149	C	C	.	.			trans	-93	161.4	174.3	70.5	0	0	0	0	111.8	R340 Y341 Y342 Y457 K479 K480	R340-T482 PolarHBondContact NH1-OG1 3.09Å; Y341-T482 CarbonylContact O-C 3.49Å; Y341-T482 WeakPolarHBondContact O-CA 3.37Å; Y341-T482 VanDerWaalsContact O-CB 3.31Å; Y341-T482 WeakPolarHBondContact O-CB 3.46Å; Y342-T482 HydrophobicContact CD1-CG2 3.55Å; Y342-T482 HydrophobicContact CE1-CG2 3.93Å; Y342-T482 HydrophobicContact CG-CG2 4.2Å; Y457-T482 WeakPolarHBondContact CD2-OG1 3.31Å; Y457-T482 PolarHBondContact N-O 2.88Å; K479-T482 HydrophobicContact CB-CG2 3.93Å; K479-T482 HydrophobicContact CD-CG2 3.87Å; K479-T482 HydrophobicContact CG-CG2 3.85Å; K479-T482 WeakPolarHBondContact O-CB 3.37Å; K479-T482 PolarHBondContact O-N 3.06Å; K479-T482 VanDerWaalsContact O-N 3.12Å; K479-T482 PolarHBondContact O-OG1 3.36Å; K480-T482 PolarHBondContact O-N 3.33Å
483	A	98.1	Very high	94.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.4	172.3	0	0	0	0	0	111.5	R340 Y341 V344 F454 L455 N456	R340-A483 CarbonylContact C-O 3.58Å; R340-A483 VanDerWaalsContact CA-O 3.25Å; R340-A483 WeakPolarHBondContact CA-O 3.31Å; R340-A483 WeakPolarHBondContact CG-O 3.34Å; Y341-A483 PolarHBondContact N-O 3.14Å; Y341-A483 PolarHBondContact O-N 3.07Å; V344-A483 HydrophobicContact CB-CB 4.22Å; V344-A483 HydrophobicContact CG1-CB 4.19Å; V344-A483 HydrophobicContact CG2-CB 3.89Å; F454-A483 HydrophobicContact CD1-CB 3.96Å; F454-A483 HydrophobicContact CE1-CB 3.22Å; F454-A483 HydrophobicContact CZ-CB 3.66Å; L455-A483 CarbonylContact O-C 3.33Å; L455-A483 WeakPolarHBondContact O-CA 3.45Å; N456-A483 VanDerWaalsContact OD1-CB 3.24Å; N456-A483 WeakPolarHBondContact OD1-CB 3.49Å
484	V	98.1	Very high	94	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.1	175.5	179.4	0	0	0	0	108.8	I338 V339 L455 Y457 I476 W486	I338-V484 HydrophobicContact CG2-CG1 3.65Å; V339-V484 WeakPolarHBondContact O-CA 3.41Å; L455-V484 PolarHBondContact N-O 3Å; L455-V484 PolarHBondContact O-N 3.06Å; Y457-V484 HydrophobicContact CD2-CG2 4.41Å; Y457-V484 HydrophobicContact CE2-CG2 3.52Å; I476-V484 HydrophobicContact CD1-CG1 3.84Å; I476-V484 HydrophobicContact CG2-CG2 3.67Å; V484-W486 HydrophobicContact CB-CZ3 4.41Å; V484-W486 HydrophobicContact CG1-CE3 3.95Å; V484-W486 HydrophobicContact CG1-CZ3 4Å
485	F	97.9	Very high	94	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.3	-176.5	174.8	-100.1	0	0	0	111.4	V339 Y341 T406 L408 A452 T453 F454 Y487	V339-F485 HydrophobicContact CG2-CB 3.95Å; V339-F485 HydrophobicContact CG2-CD1 3.95Å; V339-F485 HydrophobicContact CG2-CG 4.46Å; V339-F485 PolarHBondContact N-O 3.02Å; V339-F485 VanDerWaalsContact N-O 3.09Å; V339-F485 PolarHBondContact O-N 3.29Å; Y341-F485 HydrophobicContact CD2-CB 4.45Å; Y341-F485 HydrophobicContact CE2-CB 3.85Å; Y341-F485 HydrophobicContact CE2-CG 4.45Å; T406-F485 HydrophobicContact CG2-CD2 3.78Å; T406-F485 HydrophobicContact CG2-CE2 3.51Å; T406-F485 HydrophobicContact CG2-CG 4.47Å; T406-F485 HydrophobicContact CG2-CZ 4.04Å; L408-F485 HydrophobicContact CD1-CE2 4.43Å; L408-F485 HydrophobicContact CD1-CZ 4.31Å; A452-F485 HydrophobicContact CB-CE2 3.57Å; A452-F485 HydrophobicContact CB-CZ 3.83Å; T453-F485 WeakPolarHBondContact O-CA 2.88Å; T453-F485 WeakPolarHBondContact O-CD2 3.33Å; F454-F485 HydrophobicContact CB-CD2 4.19Å; F454-F485 HydrophobicContact CD2-CB 4.05Å; F454-F485 AromaticContact CD2-CD2 3.63Å; F454-F485 HydrophobicContact CD2-CD2 3.63Å; F454-F485 HydrophobicContact CD2-CE2 4.48Å; F454-F485 HydrophobicContact CD2-CG 4.17Å; F454-F485 HydrophobicContact CE2-CB 4.38Å; F454-F485 HydrophobicContact CG-CD2 4.35Å; F485-Y487 HydrophobicContact CE1-CD2 4.02Å; F485-Y487 HydrophobicContact CE1-CE1 4.49Å; F485-Y487 AromaticContact CE1-CE2 3.53Å; F485-Y487 HydrophobicContact CE1-CE2 3.53Å; F485-Y487 AromaticContact CE1-CZ 3.8Å; F485-Y487 HydrophobicContact CZ-CD1 4.42Å; F485-Y487 HydrophobicContact CZ-CD2 4.31Å; F485-Y487 AromaticContact CZ-CE1 3.95Å; F485-Y487 HydrophobicContact CZ-CE1 3.95Å; F485-Y487 AromaticContact CZ-CE2 3.83Å; F485-Y487 HydrophobicContact CZ-CE2 3.83Å; F485-Y487 AromaticContact CZ-CZ 3.62Å
486	W	97.6	Very high	94	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.3	172.1	65.8	93.9	0	0	0	110.8	I338 A452 T453 L455 F469 V484 N488 H501	I338-W486 HydrophobicContact CG1-CB 4.17Å; A452-W486 WeakPolarHBondContact CA-O 3.43Å; A452-W486 WeakPolarHBondContact CB-O 3.18Å; T453-W486 VanDerWaalsContact CB-CZ2 3.43Å; T453-W486 HydrophobicContact CG2-CH2 3.42Å; T453-W486 VanDerWaalsContact CG2-CH2 3.42Å; T453-W486 HydrophobicContact CG2-CZ2 3.36Å; T453-W486 HydrophobicContact CG2-CZ3 4.12Å; T453-W486 PolarHBondContact N-O 2.69Å; T453-W486 PolarHBondContact O-N 2.85Å; L455-W486 HydrophobicContact CB-CH2 4.24Å; L455-W486 HydrophobicContact CB-CZ3 4.1Å; L455-W486 HydrophobicContact CD2-CH2 4.47Å; F469-W486 HydrophobicContact CE1-CD2 4.3Å; F469-W486 HydrophobicContact CE1-CG 4.39Å; F469-W486 AromaticContact CZ-CD2 3.97Å; F469-W486 HydrophobicContact CZ-CD2 3.97Å; F469-W486 HydrophobicContact CZ-CE3 4.1Å; F469-W486 HydrophobicContact CZ-CG 4.4Å; F469-W486 HydrophobicContact CZ-CZ3 4.44Å; V484-W486 HydrophobicContact CB-CZ3 4.41Å; V484-W486 HydrophobicContact CG1-CE3 3.95Å; V484-W486 HydrophobicContact CG1-CZ3 4Å; W486-N488 PolarHBondContact NE1-OD1 3.15Å; W486-H501 AromaticContact CZ2-CD2 3.89Å; W486-H501 AromaticContact CZ2-CE1 3.61Å; W486-H501 AromaticContact CZ2-ND1 3.93Å; W486-H501 AromaticContact CZ2-NE2 3.55Å
487	Y	96.3	Very high	93.9	Very high	73 Å²	73	40 Å²	40	29%	0.286	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.7	172.3	-74	-78.9	0	0	0	110.2	L408 V451 A452 F485 T499 R527	L408-Y487 HydrophobicContact CD1-CE1 4.12Å; V451-Y487 HydrophobicContact CG2-CD1 4.32Å; V451-Y487 CarbonylContact O-C 3.38Å; V451-Y487 WeakPolarHBondContact O-CA 3.48Å; A452-Y487 HydrophobicContact CB-CD1 3.79Å; A452-Y487 HydrophobicContact CB-CE1 4.08Å; F485-Y487 HydrophobicContact CE1-CD2 4.02Å; F485-Y487 HydrophobicContact CE1-CE1 4.49Å; F485-Y487 AromaticContact CE1-CE2 3.53Å; F485-Y487 HydrophobicContact CE1-CE2 3.53Å; F485-Y487 AromaticContact CE1-CZ 3.8Å; F485-Y487 HydrophobicContact CZ-CD1 4.42Å; F485-Y487 HydrophobicContact CZ-CD2 4.31Å; F485-Y487 AromaticContact CZ-CE1 3.95Å; F485-Y487 HydrophobicContact CZ-CE1 3.95Å; F485-Y487 AromaticContact CZ-CE2 3.83Å; F485-Y487 HydrophobicContact CZ-CE2 3.83Å; F485-Y487 AromaticContact CZ-CZ 3.62Å; Y487-T499 WeakPolarHBondContact O-CG2 3.33Å; Y487-R527 VanDerWaalsContact CD1-NE 3.3Å
488	N	95.6	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-82.5	-22.5	177.5	-66.3	-43.2	0	0	0	112.8	D432 F433 R450 V451 T453 W486 D496	D432-N488 WeakPolarHBondContact CB-ND2 3.28Å; F433-N488 HydrophobicContact CB-CB 4.25Å; F433-N488 HydrophobicContact CD1-CB 4.03Å; F433-N488 WeakPolarHBondContact CD1-O 3.27Å; R450-N488 VanDerWaalsContact O-CB 3.31Å; R450-N488 WeakPolarHBondContact O-CB 3.32Å; V451-N488 PolarHBondContact O-N 2.75Å; T453-N488 PolarHBondContact OG1-ND2 3.48Å; T453-N488 PolarHBondContact OG1-OD1 2.82Å; W486-N488 PolarHBondContact NE1-OD1 3.15Å; N488-D496 PolarHBondContact O-N 2.98Å
489	L	92.9	Very high	93.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-117.3	144.9	-179.2	-52.1	177.3	0	0	0	109.7	F433 N449 R450 V451 E494 E520 R527	F433-L489 HydrophobicContact CB-CD2 3.68Å; F433-L489 HydrophobicContact CD2-CD2 4.29Å; F433-L489 HydrophobicContact CG-CD2 3.94Å; N449-L489 HydrophobicContact CB-CD1 4.03Å; R450-L489 WeakPolarHBondContact O-CG 3.26Å; V451-L489 HydrophobicContact CB-CD1 4.15Å; V451-L489 HydrophobicContact CG2-CB 4.38Å; V451-L489 HydrophobicContact CG2-CD1 4.33Å; V451-L489 PolarHBondContact O-N 2.85Å; L489-E494 CarbonylContact C-O 3.51Å; L489-E494 VanDerWaalsContact CA-O 3.27Å; L489-E494 WeakPolarHBondContact CA-O 3.29Å; L489-E520 HydrophobicContact CD1-CB 4.48Å; L489-R527 PolarHBondContact O-NH2 2.69Å
490	L	91.2	Very high	93.7	Very high	33 Å²	33	34.8 Å²	34.8	17%	0.173	17%	0.167	C	C	.	.			trans	-63.6	169	165.9	-59.7	173.1	0	0	0	110.1	S492 G493 E494 D496 R527	L490-S492 PolarHBondContact O-N 3.35Å; L490-G493 PolarHBondContact O-N 2.86Å; L490-E494 HydrophobicContact CD1-CB 4.48Å; L490-E494 PolarHBondContact N-O 2.57Å; L490-D496 HydrophobicContact CD2-CB 4.01Å; L490-D496 HydrophobicContact CG-CB 4.2Å; L490-R527 PolarHBondContact O-NH1 2.95Å
491	R	88.9	Confident	93.6	Very high	89 Å²	89	32.8 Å²	32.8	34%	0.336	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.7	174.3	-72.4	-179.2	-174.6	-90.4	-2.8	113.9	G493 P528 G530 D535	R491-G493 PolarHBondContact O-N 2.72Å; R491-P528 PolarHBondContact NH1-O 2.84Å; R491-G530 VanDerWaalsContact CB-N 3.27Å; R491-G530 VanDerWaalsContact CD-CA 3.5Å; R491-D535 WeakPolarHBondContact CB-O 3.41Å; R491-D535 VanDerWaalsContact CD-C 3.46Å; R491-D535 WeakPolarHBondContact CD-O 3.39Å; R491-D535 WeakPolarHBondContact CD-OXT 3.28Å; R491-D535 WeakPolarHBondContact CG-O 3.28Å; R491-D535 PolarHBondContact N-O 3.3Å; R491-D535 VanDerWaalsContact N-O 3.12Å; R491-D535 PolarHBondContact NE-OXT 3.47Å
492	S	85.9	Confident	93.5	Very high	68 Å²	68	32.4 Å²	32.4	48%	0.476	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.4	170.3	59.4	0	0	0	0	113.2	L490 E494	L490-S492 PolarHBondContact O-N 3.35Å; S492-E494 VanDerWaalsContact C-N 3.34Å; S492-E494 PolarHBondContact OG-N 3.41Å
493	G	85.8	Confident	93.3	Very high	27 Å²	27	32.6 Å²	32.6	28%	0.278	16%	0.157	S	C	.	.	S	Bend	trans	90.8	-9.1	-171	0	0	0	0	0	113.8	L490 R491	L490-G493 PolarHBondContact O-N 2.86Å; R491-G493 PolarHBondContact O-N 2.72Å
494	E	87.9	Confident	93.2	Very high	100 Å²	100	32.7 Å²	32.7	47%	0.467	16%	0.157	S	C	.	.			trans	-69.2	148.8	172.4	-70.5	-64.3	141.1	0	0	111.3	N436 L489 L490 S492	N436-E494 PolarHBondContact ND2-OE2 3.37Å; L489-E494 CarbonylContact C-O 3.51Å; L489-E494 VanDerWaalsContact CA-O 3.27Å; L489-E494 WeakPolarHBondContact CA-O 3.29Å; L490-E494 HydrophobicContact CD1-CB 4.48Å; L490-E494 PolarHBondContact N-O 2.57Å; S492-E494 VanDerWaalsContact C-N 3.34Å; S492-E494 PolarHBondContact OG-N 3.41Å
495	G	90.9	Very high	93	Very high	12 Å²	12	32.7 Å²	32.7	12%	0.124	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-66.5	131.7	177.7	0	0	0	0	0	113	F433 Y497	F433-G495 VanDerWaalsContact CE2-CA 3.47Å; G495-Y497 WeakPolarHBondContact O-CD2 3.3Å; G495-Y497 PolarHBondContact O-N 3.07Å
496	D	93.2	Very high	92.7	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.07	16%	0.155	C	C	.	.			trans	-84.8	97.9	173.2	-168.6	-13.7	0	0	0	109.7	N488 L490 R498 T499	N488-D496 PolarHBondContact O-N 2.98Å; L490-D496 HydrophobicContact CD2-CB 4.01Å; L490-D496 HydrophobicContact CG-CB 4.2Å; D496-R498 PolarHBondContact O-N 2.97Å; D496-R498 VanDerWaalsContact OD1-CB 3.25Å; D496-R498 WeakPolarHBondContact OD1-CB 3.16Å; D496-R498 WeakPolarHBondContact OD1-CG 3.36Å; D496-R498 IonicContact OD1-CZ 3.03Å; D496-R498 PolarHBondContact OD1-N 3.03Å; D496-R498 VanDerWaalsContact OD1-N 3.07Å; D496-R498 IonicContact OD1-NE 2.82Å; D496-R498 PolarHBondContact OD1-NE 3.3Å; D496-R498 IonicContact OD1-NH2 2.81Å; D496-R498 IonicContact OD2-CZ 2.7Å; D496-R498 IonicContact OD2-NE 3.26Å; D496-R498 PolarHBondContact OD2-NE 2.87Å; D496-R498 IonicContact OD2-NH2 3.64Å; D496-R498 PolarHBondContact OD2-NH2 2.85Å; D496-T499 HydrophobicContact CB-CG2 4.15Å; D496-T499 PolarHBondContact O-N 2.83Å; D496-T499 PolarHBondContact O-OG1 3.05Å
497	Y	92.4	Very high	92.4	Very high	116 Å²	116	32.9 Å²	32.9	46%	0.455	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-60.6	-17.3	-179.2	-71.9	-92.1	0	0	0	113.4	F431 G495 T499 R500	F431-Y497 HydrophobicContact CE1-CD1 4.25Å; F431-Y497 VanDerWaalsContact CE1-O 3.29Å; F431-Y497 WeakPolarHBondContact CE1-O 3.45Å; F431-Y497 HydrophobicContact CE2-CD1 4.09Å; F431-Y497 HydrophobicContact CE2-CE1 4.47Å; F431-Y497 AromaticContact CZ-CD1 3.65Å; F431-Y497 HydrophobicContact CZ-CD1 3.65Å; F431-Y497 HydrophobicContact CZ-CE1 4.44Å; F431-Y497 HydrophobicContact CZ-CG 4.39Å; G495-Y497 WeakPolarHBondContact O-CD2 3.3Å; G495-Y497 PolarHBondContact O-N 3.07Å; Y497-T499 PolarHBondContact O-N 3.21Å; Y497-R500 PolarHBondContact O-N 2.91Å
498	R	92.9	Very high	92	Very high	85 Å²	85	30.4 Å²	30.4	32%	0.321	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-73.1	-13.3	176.5	-57.2	171.9	-64.5	179.2	2.9	113	S335 P336 L472 D496 R500	S335-R498 PolarHBondContact OG-NH1 2.89Å; P336-R498 HydrophobicContact CG-CB 4.15Å; L472-R498 HydrophobicContact CD2-CB 4.01Å; L472-R498 WeakPolarHBondContact CG-O 3.46Å; D496-R498 PolarHBondContact O-N 2.97Å; D496-R498 VanDerWaalsContact OD1-CB 3.25Å; D496-R498 WeakPolarHBondContact OD1-CB 3.16Å; D496-R498 WeakPolarHBondContact OD1-CG 3.36Å; D496-R498 IonicContact OD1-CZ 3.03Å; D496-R498 PolarHBondContact OD1-N 3.03Å; D496-R498 VanDerWaalsContact OD1-N 3.07Å; D496-R498 IonicContact OD1-NE 2.82Å; D496-R498 PolarHBondContact OD1-NE 3.3Å; D496-R498 IonicContact OD1-NH2 2.81Å; D496-R498 IonicContact OD2-CZ 2.7Å; D496-R498 IonicContact OD2-NE 3.26Å; D496-R498 PolarHBondContact OD2-NE 2.87Å; D496-R498 IonicContact OD2-NH2 3.64Å; D496-R498 PolarHBondContact OD2-NH2 2.85Å; R498-R500 PolarHBondContact O-N 2.97Å
499	T	94.8	Very high	91.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-91.3	17.8	177.1	70.9	0	0	0	0	112.9	P336 Y487 D496 Y497 H501	P336-T499 HydrophobicContact CB-CG2 4.35Å; P336-T499 HydrophobicContact CG-CG2 3.95Å; Y487-T499 WeakPolarHBondContact O-CG2 3.33Å; D496-T499 HydrophobicContact CB-CG2 4.15Å; D496-T499 PolarHBondContact O-N 2.83Å; D496-T499 PolarHBondContact O-OG1 3.05Å; Y497-T499 PolarHBondContact O-N 3.21Å; T499-H501 PolarHBondContact O-N 2.96Å; T499-H501 PolarHBondContact O-ND1 3.45Å
500	R	94.6	Very high	91.2	Very high	40 Å²	40	32.5 Å²	32.5	15%	0.151	17%	0.169	C	C	.	.			trans	-57	123.9	165.8	-163.4	167	175.8	67	10.9	108.3	E286 P429 H430 F431 F469 P470 Y497 R498	E286-R500 IonicContact OE1-CZ 2.99Å; E286-R500 IonicContact OE1-NE 3.16Å; E286-R500 PolarHBondContact OE1-NE 2.75Å; E286-R500 IonicContact OE1-NH2 3.6Å; E286-R500 PolarHBondContact OE1-NH2 3.48Å; E286-R500 IonicContact OE2-NE 2.82Å; E286-R500 PolarHBondContact OE2-NE 3.22Å; P429-R500 HydrophobicContact CB-CG 4.4Å; P429-R500 PolarHBondContact O-NH2 2.7Å; H430-R500 WeakPolarHBondContact O-CA 3.19Å; F431-R500 HydrophobicContact CD1-CB 4.14Å; F431-R500 HydrophobicContact CD1-CG 4.46Å; F431-R500 HydrophobicContact CE1-CB 3.41Å; F431-R500 VanDerWaalsContact CE1-CB 3.41Å; F431-R500 HydrophobicContact CE1-CG 3.91Å; F431-R500 HydrophobicContact CE2-CG 4.27Å; F431-R500 HydrophobicContact CZ-CB 3.68Å; F431-R500 HydrophobicContact CZ-CG 3.79Å; F469-R500 WeakPolarHBondContact CA-O 3.38Å; P470-R500 WeakPolarHBondContact CD-O 3.48Å; Y497-R500 PolarHBondContact O-N 2.91Å; R498-R500 PolarHBondContact O-N 2.97Å
501	H	95.9	Very high	91.2	Very high	9 Å²	9	31 Å²	31	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.8	-173	66	-80	0	0	0	112.1	P429 H430 D432 V468 F469 W486 T499	P429-H501 CarbonylContact C-O 3.49Å; P429-H501 WeakPolarHBondContact CA-O 3.11Å; H430-H501 AromaticContact CE1-NE2 3.88Å; H430-H501 PolarHBondContact N-O 2.72Å; H430-H501 PolarHBondContact ND1-O 3.02Å; H430-H501 AromaticContact NE2-NE2 3.49Å; H430-H501 PolarHBondContact NE2-NE2 2.88Å; H430-H501 PolarHBondContact O-N 2.88Å; D432-H501 IonicContact OD1-CE1 2.81Å; D432-H501 IonicContact OD1-NE2 2.65Å; D432-H501 IonicContact OD2-CE1 3.16Å; D432-H501 PolarHBondContact OD2-CE1 3.3Å; D432-H501 IonicContact OD2-NE2 2.87Å; V468-H501 CarbonylContact O-C 3.58Å; V468-H501 WeakPolarHBondContact O-CA 3.38Å; V468-H501 WeakPolarHBondContact O-CB 3.45Å; F469-H501 HydrophobicContact CD1-CB 3.71Å; F469-H501 HydrophobicContact CD2-CB 4.49Å; F469-H501 HydrophobicContact CE1-CB 3.64Å; F469-H501 HydrophobicContact CE2-CB 4.41Å; F469-H501 HydrophobicContact CG-CB 4.15Å; F469-H501 HydrophobicContact CZ-CB 4Å; W486-H501 AromaticContact CZ2-CD2 3.89Å; W486-H501 AromaticContact CZ2-CE1 3.61Å; W486-H501 AromaticContact CZ2-ND1 3.93Å; W486-H501 AromaticContact CZ2-NE2 3.55Å; T499-H501 PolarHBondContact O-N 2.96Å; T499-H501 PolarHBondContact O-ND1 3.45Å
502	A	94.9	Very high	91.5	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.7	-177.7	0	0	0	0	0	110.6	Y290 Y427 P429 T467 V468	Y290-A502 HydrophobicContact CD2-CB 3.71Å; Y290-A502 HydrophobicContact CE2-CB 3.49Å; Y290-A502 VanDerWaalsContact CE2-CB 3.49Å; Y427-A502 CarbonylContact O-C 3.55Å; Y427-A502 WeakPolarHBondContact O-CA 3.5Å; Y427-A502 WeakPolarHBondContact O-CB 3.43Å; P429-A502 HydrophobicContact CB-CB 4.38Å; P429-A502 HydrophobicContact CG-CB 3.91Å; T467-A502 CarbonylContact C-O 3.5Å; T467-A502 WeakPolarHBondContact CA-O 3.45Å; V468-A502 HydrophobicContact CG2-CB 3.85Å; V468-A502 PolarHBondContact N-O 2.73Å; V468-A502 PolarHBondContact O-N 2.93Å
503	A	94.7	Very high	92	Very high	6 Å²	6	24.9 Å²	24.9	5%	0.05	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.1	165.1	0	0	0	0	0	108.5	Y421 Q426 Y427	Y421-A503 HydrophobicContact CE1-CB 4.3Å; Q426-A503 WeakPolarHBondContact CA-O 3.48Å; Q426-A503 WeakPolarHBondContact CB-O 3.33Å; Y427-A503 PolarHBondContact N-O 2.95Å; Y427-A503 PolarHBondContact O-N 2.86Å
504	C	95.2	Very high	92.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-57.6	150.9	175.1	-68.8	0	0	0	0	111.4	C294 G465 A466 V468 V506	C294-C504 WeakPolarHBondContact CA-SG 3.49Å; C294-C504 HydrophobicContact CB-CB 3.68Å; C294-C504 WeakPolarHBondContact CB-SG 3.34Å; C294-C504 VanDerWaalsContact SG-CA 3.57Å; C294-C504 WeakPolarHBondContact SG-CB 3.28Å; C294-C504 CovalentContact SG-SG 2.03Å; C294-C504 PolarHBondContact SG-SG 3.1Å; G465-C504 WeakPolarHBondContact CA-O 3.29Å; A466-C504 HydrophobicContact CB-CB 4.39Å; A466-C504 WeakPolarHBondContact O-CB 3.33Å; A466-C504 PolarHBondContact O-N 2.88Å; V468-C504 WeakPolarHBondContact CG1-SG 2.98Å; C504-V506 PolarHBondContact O-N 3.06Å
505	P	94.1	Very high	92.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-56.9	138.5	174.4	-20.8	33.5	0	0	0	110.9	R138 L139 T142 Y143 Y290 G425 Q426 G465 L507	R138-P505 HydrophobicContact CG-CG 4.21Å; L139-P505 HydrophobicContact CD2-CB 3.58Å; T142-P505 HydrophobicContact CG2-CG 4.04Å; Y143-P505 HydrophobicContact CE2-CB 4.24Å; Y143-P505 PolarHBondContact OH-O 3.32Å; Y290-P505 WeakPolarHBondContact OH-CD 3.27Å; G425-P505 WeakPolarHBondContact O-CA 3.19Å; Q426-P505 HydrophobicContact CB-CB 4.38Å; Q426-P505 HydrophobicContact CB-CG 4.01Å; Q426-P505 VanDerWaalsContact OE1-CG 3.29Å; G465-P505 PolarHBondContact N-O 2.78Å; P505-L507 PolarHBondContact O-N 3.12Å
506	V	92	Very high	93.2	Very high	1 Å²	1	19 Å²	19	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.9	170.3	-178.6	0	0	0	0	108.7	L139 G424 G425 V461 C504 G509 K511	L139-V506 WeakPolarHBondContact CD2-O 3.48Å; G424-V506 PolarHBondContact N-O 3.26Å; G424-V506 VanDerWaalsContact N-O 3.15Å; G425-V506 PolarHBondContact O-N 3.28Å; V461-V506 HydrophobicContact CG1-CG1 3.95Å; C504-V506 PolarHBondContact O-N 3.06Å; V506-G509 WeakPolarHBondContact CG1-O 3.4Å; V506-K511 HydrophobicContact CG2-CB 3.52Å; V506-K511 HydrophobicContact CG2-CD 4.38Å
507	L	90.4	Very high	93.4	Very high	15 Å²	15	18.9 Å²	18.9	8%	0.079	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-52.6	179.9	178.1	59	0	0	0	110.9	L139 Y143 L145 L155 P156 A463 P505	L139-L507 HydrophobicContact CB-CD1 4.22Å; L139-L507 HydrophobicContact CD1-CD1 4.18Å; L139-L507 HydrophobicContact CD2-CB 4.28Å; L139-L507 HydrophobicContact CD2-CD1 4.05Å; L139-L507 HydrophobicContact CG-CD1 4.38Å; Y143-L507 HydrophobicContact CD1-CD2 4.22Å; Y143-L507 HydrophobicContact CD2-CB 4.1Å; Y143-L507 HydrophobicContact CD2-CD1 3.99Å; Y143-L507 HydrophobicContact CD2-CD2 4.11Å; Y143-L507 HydrophobicContact CD2-CG 4.29Å; Y143-L507 HydrophobicContact CE2-CB 3.74Å; Y143-L507 HydrophobicContact CE2-CD1 4.43Å; Y143-L507 HydrophobicContact CE2-CD2 4.46Å; Y143-L507 HydrophobicContact CE2-CG 4.42Å; Y143-L507 HydrophobicContact CG-CD2 4Å; L145-L507 HydrophobicContact CD1-CD1 3.77Å; L155-L507 HydrophobicContact CD1-CD1 4.32Å; L155-L507 HydrophobicContact CD2-CD1 4.41Å; P156-L507 HydrophobicContact CG-CD2 3.8Å; A463-L507 HydrophobicContact CB-CB 4.08Å; A463-L507 HydrophobicContact CB-CD2 4.09Å; A463-L507 HydrophobicContact CB-CG 4.25Å; A463-L507 WeakPolarHBondContact O-CB 3.18Å; A463-L507 PolarHBondContact O-N 2.9Å; P505-L507 PolarHBondContact O-N 3.12Å
508	V	88.5	Confident	93.6	Very high	21 Å²	21	13.4 Å²	13.4	13%	0.127	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.4	173.6	178.9	0	0	0	0	108.5	L155 P156 E462 A463	L155-V508 HydrophobicContact CB-CG2 4.14Å; P156-V508 WeakPolarHBondContact O-CG2 3.31Å; E462-V508 HydrophobicContact CB-CB 4.28Å; E462-V508 HydrophobicContact CB-CG1 3.96Å; E462-V508 PolarHBondContact N-O 2.81Å; A463-V508 HydrophobicContact CB-CB 3.98Å; A463-V508 HydrophobicContact CB-CG2 4.3Å; A463-V508 PolarHBondContact N-O 2.93Å; A463-V508 PolarHBondContact O-N 3.31Å; A463-V508 VanDerWaalsContact O-O 3.11Å
509	G	85.5	Confident	93.6	Very high	22 Å²	22	9.5 Å²	9.5	23%	0.227	5%	0.053	C	C	.	.	S	Bend	trans	108.9	-163.5	177.9	0	0	0	0	0	114.1	I27 E462 V506	I27-G509 WeakPolarHBondContact CD1-O 3.25Å; E462-G509 WeakPolarHBondContact OE2-CA 3.43Å; V506-G509 WeakPolarHBondContact CG1-O 3.4Å
510	C	85.3	Confident	93.3	Very high	23 Å²	23	12.9 Å²	12.9	16%	0.155	7%	0.069	C	C	.	.			trans	-132.5	124.9	177.6	-172.1	0	0	0	0	110.3	I27 N420 S459 W512	I27-C510 HydrophobicContact CB-CB 4.29Å; I27-C510 HydrophobicContact CD1-CB 3.44Å; I27-C510 VanDerWaalsContact CD1-CB 3.44Å; I27-C510 HydrophobicContact CG1-CB 4.43Å; I27-C510 HydrophobicContact CG2-CB 4.35Å; N420-C510 PolarHBondContact ND2-SG 3.2Å; S459-C510 VanDerWaalsContact CB-O 3.31Å; S459-C510 WeakPolarHBondContact CB-O 3.47Å; S459-C510 PolarHBondContact OG-O 3.47Å; C510-W512 VanDerWaalsContact SG-CD1 3.51Å; C510-W512 PolarHBondContact SG-NE1 2.88Å
511	K	91.8	Very high	93.1	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.013	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.2	175.8	-176.2	179.3	177.9	177.7	0	110.5	N420 Y421 S459 V461 G465 V506 V513	N420-K511 PolarHBondContact ND2-O 3.45Å; Y421-K511 HydrophobicContact CD2-CB 4.16Å; Y421-K511 HydrophobicContact CD2-CD 4.02Å; Y421-K511 HydrophobicContact CD2-CG 4.01Å; Y421-K511 HydrophobicContact CE2-CD 4.42Å; Y421-K511 PolarHBondContact N-O 2.78Å; Y421-K511 PolarHBondContact O-N 3.27Å; S459-K511 WeakPolarHBondContact OG-CA 3.41Å; V461-K511 HydrophobicContact CG2-CB 3.77Å; V461-K511 HydrophobicContact CG2-CG 4.15Å; G465-K511 WeakPolarHBondContact O-CD 3.43Å; G465-K511 WeakPolarHBondContact O-CE 3.04Å; G465-K511 PolarHBondContact O-NZ 2.78Å; V506-K511 HydrophobicContact CG2-CB 3.52Å; V506-K511 HydrophobicContact CG2-CD 4.38Å; K511-V513 HydrophobicContact CD-CG1 4.4Å; K511-V513 HydrophobicContact CG-CG1 4Å
512	W	94.4	Very high	92.8	Very high	24 Å²	24	18.4 Å²	18.4	9%	0.091	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.2	165.9	-74.1	86	0	0	0	108.9	K354 L361 V418 A419 N420 M458 S459 C510	K354-W512 HydrophobicContact CD-CD2 4.22Å; K354-W512 HydrophobicContact CD-CG 4.3Å; K354-W512 HydrophobicContact CG-CD2 4.04Å; K354-W512 HydrophobicContact CG-CE3 3.95Å; K354-W512 HydrophobicContact CG-CG 4.47Å; K354-W512 HydrophobicContact CG-CZ3 4.27Å; L361-W512 HydrophobicContact CD1-CH2 3.63Å; L361-W512 HydrophobicContact CD1-CZ3 4.08Å; V418-W512 HydrophobicContact CG1-CE3 3.84Å; V418-W512 HydrophobicContact CG1-CZ3 3.87Å; A419-W512 WeakPolarHBondContact O-CA 3.37Å; N420-W512 HydrophobicContact CB-CD2 3.99Å; N420-W512 HydrophobicContact CB-CE3 3.9Å; N420-W512 HydrophobicContact CB-CH2 3.92Å; N420-W512 HydrophobicContact CB-CZ2 3.95Å; N420-W512 HydrophobicContact CB-CZ3 3.88Å; N420-W512 PolarHBondContact ND2-NE1 3.44Å; M458-W512 WeakPolarHBondContact CA-O 3.34Å; M458-W512 HydrophobicContact CB-CB 3.86Å; M458-W512 HydrophobicContact CE-CB 4.29Å; M458-W512 HydrophobicContact CE-CE3 4.48Å; M458-W512 PolarHBondContact N-O 3.07Å; S459-W512 PolarHBondContact OG-N 3.34Å; C510-W512 VanDerWaalsContact SG-CD1 3.51Å; C510-W512 PolarHBondContact SG-NE1 2.88Å
513	V	96.4	Very high	92.6	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	173.5	-62.1	0	0	0	0	110	V418 A419 Y421 L455 N456 Y457 K511	V418-V513 WeakPolarHBondContact CA-O 3.35Å; A419-V513 HydrophobicContact CB-CG2 3.87Å; A419-V513 PolarHBondContact N-O 2.8Å; A419-V513 PolarHBondContact O-N 3.4Å; Y421-V513 HydrophobicContact CE2-CG2 3.83Å; L455-V513 HydrophobicContact CD1-CB 3.81Å; L455-V513 HydrophobicContact CD1-CG1 4.32Å; L455-V513 HydrophobicContact CD1-CG2 3.97Å; N456-V513 CarbonylContact O-C 3.47Å; N456-V513 WeakPolarHBondContact O-CA 3.06Å; N456-V513 VanDerWaalsContact O-CB 3.3Å; N456-V513 WeakPolarHBondContact O-CB 3.09Å; Y457-V513 HydrophobicContact CD1-CG1 3.79Å; Y457-V513 HydrophobicContact CE1-CG1 4.24Å; K511-V513 HydrophobicContact CD-CG1 4.4Å; K511-V513 HydrophobicContact CG-CG1 4Å
514	S	97.1	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.6	162.9	75.2	0	0	0	0	109.8	Q417 N456	Q417-S514 CarbonylContact O-C 3.58Å; Q417-S514 WeakPolarHBondContact O-CA 3.46Å; Q417-S514 WeakPolarHBondContact O-CB 3.46Å; N456-S514 WeakPolarHBondContact CB-OG 3.4Å; N456-S514 PolarHBondContact N-O 3.04Å; N456-S514 PolarHBondContact ND2-OG 3.22Å; N456-S514 PolarHBondContact O-N 3.37Å
515	N	96.1	Very high	91.9	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.07	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.4	178.6	-156.6	-2.5	0	0	0	111.2	Q417 T453 F454 L455 W517	Q417-N515 HydrophobicContact CB-CB 4.31Å; Q417-N515 PolarHBondContact N-O 2.74Å; Q417-N515 PolarHBondContact O-N 2.9Å; T453-N515 WeakPolarHBondContact CG2-OD1 3.09Å; F454-N515 PolarHBondContact O-OD1 2.9Å; L455-N515 HydrophobicContact CD1-CB 4.12Å; N515-W517 WeakPolarHBondContact ND2-CZ2 3.3Å; N515-W517 PolarHBondContact ND2-NE1 3.22Å
516	K	97.1	Very high	91.6	Very high	4 Å²	4	37 Å²	37	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.5	172.5	-170.4	74	170.1	-176.9	0	109	N399 M402 E414 L416 F454 F518	N399-K516 VanDerWaalsContact CG-NZ 3.26Å; N399-K516 PolarHBondContact ND2-NZ 3.22Å; N399-K516 WeakPolarHBondContact OD1-CE 3.28Å; N399-K516 PolarHBondContact OD1-NZ 2.73Å; N399-K516 VanDerWaalsContact OD1-NZ 3.07Å; M402-K516 HydrophobicContact CE-CB 4.22Å; M402-K516 HydrophobicContact SD-CB 3.45Å; M402-K516 WeakPolarHBondContact SD-CB 3.23Å; M402-K516 HydrophobicContact SD-CG 3.77Å; E414-K516 WeakPolarHBondContact O-CD 3.39Å; E414-K516 VanDerWaalsContact O-CE 3.22Å; E414-K516 WeakPolarHBondContact O-CE 3.34Å; E414-K516 PolarHBondContact O-NZ 3.02Å; L416-K516 HydrophobicContact CD1-CB 4.47Å; F454-K516 HydrophobicContact CB-CB 4.34Å; F454-K516 PolarHBondContact N-O 2.82Å; F454-K516 PolarHBondContact O-N 2.91Å; K516-F518 HydrophobicContact CB-CE2 4.37Å; K516-F518 HydrophobicContact CG-CE2 3.97Å; K516-F518 HydrophobicContact CG-CZ 4.11Å
517	W	96.9	Very high	91.4	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.038	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.4	176.1	-69.3	-64	0	0	0	111	W386 A413 E414 Q417 D432 R450 N515	W386-W517 AromaticContact CH2-CE3 3.77Å; W386-W517 HydrophobicContact CH2-CE3 3.77Å; W386-W517 HydrophobicContact CH2-CH2 4.42Å; W386-W517 AromaticContact CH2-CZ3 3.3Å; W386-W517 HydrophobicContact CH2-CZ3 3.3Å; W386-W517 HydrophobicContact CZ2-CZ3 4.09Å; W386-W517 HydrophobicContact CZ3-CE3 4.06Å; W386-W517 AromaticContact CZ3-CZ3 3.86Å; W386-W517 HydrophobicContact CZ3-CZ3 3.86Å; A413-W517 VanDerWaalsContact CA-O 3.29Å; A413-W517 WeakPolarHBondContact CA-O 3.44Å; A413-W517 VanDerWaalsContact CB-O 3.28Å; A413-W517 WeakPolarHBondContact CB-O 3.13Å; E414-W517 HydrophobicContact CB-CB 4.41Å; E414-W517 HydrophobicContact CG-CB 4.2Å; E414-W517 PolarHBondContact N-O 2.77Å; E414-W517 VanDerWaalsContact OE2-CE3 3.25Å; Q417-W517 HydrophobicContact CB-CZ3 4.07Å; Q417-W517 HydrophobicContact CG-CZ3 4.44Å; D432-W517 PolarHBondContact OD1-NE1 3.1Å; D432-W517 VanDerWaalsContact OD1-NE1 3.15Å; D432-W517 PolarHBondContact OD2-NE1 3.16Å; R450-W517 HydrophobicContact CG-CB 3.99Å; R450-W517 HydrophobicContact CG-CG 4.36Å; R450-W517 VanDerWaalsContact CZ-CD2 3.42Å; R450-W517 VanDerWaalsContact NH2-CE3 3.25Å; N515-W517 WeakPolarHBondContact ND2-CZ2 3.3Å; N515-W517 PolarHBondContact ND2-NE1 3.22Å
518	F	95.9	Very high	91.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.7	175.5	-64.7	-96.9	0	0	0	109.1	M402 T406 L408 V410 A413 R450 V451 A452 F454 K516	M402-F518 HydrophobicContact CB-CZ 4.1Å; T406-F518 HydrophobicContact CG2-CE2 4.35Å; T406-F518 HydrophobicContact CG2-CZ 4.27Å; L408-F518 HydrophobicContact CB-CD1 3.56Å; L408-F518 HydrophobicContact CB-CE1 3.9Å; L408-F518 HydrophobicContact CB-CG 4.2Å; L408-F518 HydrophobicContact CD1-CB 3.97Å; L408-F518 HydrophobicContact CD1-CD1 4.15Å; L408-F518 HydrophobicContact CD1-CD2 4.38Å; L408-F518 HydrophobicContact CD1-CG 3.91Å; V410-F518 HydrophobicContact CG1-CD1 4.5Å; V410-F518 HydrophobicContact CG1-CE1 3.57Å; V410-F518 HydrophobicContact CG1-CZ 4.09Å; A413-F518 HydrophobicContact CB-CD1 4.14Å; R450-F518 CarbonylContact C-O 3.51Å; R450-F518 VanDerWaalsContact CA-O 3.3Å; R450-F518 WeakPolarHBondContact CA-O 3.38Å; V451-F518 HydrophobicContact CG1-CB 3.98Å; V451-F518 WeakPolarHBondContact CG1-O 3.36Å; V451-F518 PolarHBondContact N-O 2.93Å; A452-F518 HydrophobicContact CB-CB 4.42Å; A452-F518 PolarHBondContact O-N 3.3Å; F454-F518 HydrophobicContact CB-CE2 3.85Å; K516-F518 HydrophobicContact CB-CE2 4.37Å; K516-F518 HydrophobicContact CG-CE2 3.97Å; K516-F518 HydrophobicContact CG-CZ 4.11Å
519	H	93.6	Very high	90.7	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	155.2	174.3	-73	-93.9	0	0	0	112	T412 E414 F442 T447 G448 N449 Q523	T412-H519 WeakPolarHBondContact O-CB 3.26Å; T412-H519 PolarHBondContact O-CD2 3.45Å; E414-H519 WeakPolarHBondContact CG-NE2 3.25Å; E414-H519 IonicContact OE1-CE1 3.25Å; E414-H519 IonicContact OE1-NE2 3.05Å; E414-H519 PolarHBondContact OE1-NE2 3.32Å; F442-H519 AromaticContact CD1-CE1 3.75Å; F442-H519 AromaticContact CE1-CE1 3.96Å; T447-H519 WeakPolarHBondContact O-CB 3.16Å; T447-H519 PolarHBondContact OG1-CE1 2.82Å; T447-H519 PolarHBondContact OG1-ND1 3.25Å; G448-H519 PolarHBondContact O-ND1 2.78Å; N449-H519 WeakPolarHBondContact O-CA 3.2Å; H519-Q523 WeakPolarHBondContact O-CG 3.38Å
520	E	89.6	Confident	90.2	Very high	72 Å²	72	45.9 Å²	45.9	34%	0.336	24%	0.243	S	C	.	.	S	Bend	trans	-66.5	-34.5	-178.4	69.4	-173.6	155.6	0	0	113.7	G448 N449 V451 L489 Q523	G448-E520 VanDerWaalsContact CA-OE1 3.25Å; G448-E520 WeakPolarHBondContact CA-OE1 3.41Å; N449-E520 PolarHBondContact N-OE1 3.31Å; N449-E520 PolarHBondContact O-N 2.97Å; V451-E520 HydrophobicContact CB-CB 4.27Å; L489-E520 HydrophobicContact CD1-CB 4.48Å; E520-Q523 WeakPolarHBondContact O-CB 3.08Å; E520-Q523 PolarHBondContact O-N 3.36Å
521	R	89.9	Confident	89.7	Confident	129 Å²	129	50.4 Å²	50.4	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	138.6	-179.9	-63.3	-179.7	-172.6	-173.2	-4.8	110.8	T412 G446 T447 Q523 E524	T412-R521 WeakPolarHBondContact CB-O 3.41Å; T412-R521 WeakPolarHBondContact CG2-O 3.21Å; T412-R521 PolarHBondContact OG1-O 3.33Å; G446-R521 VanDerWaalsContact C-NH1 3.33Å; G446-R521 WeakPolarHBondContact O-CD 3.49Å; G446-R521 PolarHBondContact O-NH1 2.91Å; T447-R521 WeakPolarHBondContact O-CB 3.44Å; T447-R521 WeakPolarHBondContact O-CG 3.41Å; T447-R521 PolarHBondContact O-N 3.47Å; T447-R521 VanDerWaalsContact O-N 3.16Å; R521-Q523 VanDerWaalsContact C-N 3.28Å; R521-E524 WeakPolarHBondContact CA-OE1 3.17Å
522	G	89.1	Confident	88.7	Confident	35 Å²	35	53.5 Å²	53.5	36%	0.361	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-2.8	-171.5	0	0	0	0	0	113.9	T409 E524	T409-G522 VanDerWaalsContact CG2-O 3.3Å; T409-G522 WeakPolarHBondContact CG2-O 3.46Å; G522-E524 WeakPolarHBondContact CA-OE2 3.44Å; G522-E524 VanDerWaalsContact N-CD 3.28Å; G522-E524 PolarHBondContact N-OE1 3.21Å; G522-E524 PolarHBondContact N-OE2 2.7Å
523	Q	91.2	Very high	87.1	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.019	33%	0.326	C	S	.	.			trans	-104	1.6	176.6	-47.1	-62.1	-9.8	0	0	113	L408 T409 V451 H519 E520 R521 F525 L526 R527	L408-Q523 VanDerWaalsContact CA-OE1 3.24Å; L408-Q523 HydrophobicContact CD2-CB 4.39Å; L408-Q523 HydrophobicContact CD2-CG 4.23Å; T409-Q523 PolarHBondContact O-NE2 3.12Å; V451-Q523 HydrophobicContact CG1-CG 4.43Å; H519-Q523 WeakPolarHBondContact O-CG 3.38Å; E520-Q523 WeakPolarHBondContact O-CB 3.08Å; E520-Q523 PolarHBondContact O-N 3.36Å; R521-Q523 VanDerWaalsContact C-N 3.28Å; Q523-F525 PolarHBondContact O-N 2.86Å; Q523-F525 VanDerWaalsContact O-N 3.1Å; Q523-L526 CarbonylContact O-C 3.57Å; Q523-L526 PolarHBondContact O-N 2.79Å; Q523-R527 HydrophobicContact CB-CB 4.46Å; Q523-R527 PolarHBondContact O-N 2.95Å
524	E	86.4	Confident	85.4	Confident	104 Å²	104	65.2 Å²	65.2	49%	0.486	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.7	-169.4	-56.6	82.1	177.5	0	0	112.3	R521 G522	R521-E524 WeakPolarHBondContact CA-OE1 3.17Å; G522-E524 WeakPolarHBondContact CA-OE2 3.44Å; G522-E524 VanDerWaalsContact N-CD 3.28Å; G522-E524 PolarHBondContact N-OE1 3.21Å; G522-E524 PolarHBondContact N-OE2 2.7Å
525	F	87.6	Confident	83.4	Confident	195 Å²	195	69.3 Å²	69.3	86%	0.855	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-13.2	177.5	-57.3	-66.1	0	0	0	113.8	Q523	Q523-F525 PolarHBondContact O-N 2.86Å; Q523-F525 VanDerWaalsContact O-N 3.1Å
526	L	87.9	Confident	82.8	Confident	95 Å²	95	72.2 Å²	72.2	50%	0.497	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-27.3	-179.8	-60.8	174.5	0	0	0	111.5	T409 Q523	T409-L526 HydrophobicContact CG2-CD1 4.25Å; Q523-L526 CarbonylContact O-C 3.57Å; Q523-L526 PolarHBondContact O-N 2.79Å
527	R	87.8	Confident	82.1	Confident	36 Å²	36	75.7 Å²	75.7	14%	0.136	41%	0.414	C	S	.	.	S	Bend	trans	-135.3	79.3	179.1	-171	-174.6	-173	-111.4	3	109.7	L408 Y487 L489 L490 Q523	L408-R527 HydrophobicContact CD2-CB 4.32Å; Y487-R527 VanDerWaalsContact CD1-NE 3.3Å; L489-R527 PolarHBondContact O-NH2 2.69Å; L490-R527 PolarHBondContact O-NH1 2.95Å; Q523-R527 HydrophobicContact CB-CB 4.46Å; Q523-R527 PolarHBondContact O-N 2.95Å
528	P	84	Confident	81.2	Confident	75 Å²	75	79.4 Å²	79.4	49%	0.487	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-65.9	153	-179.5	26.9	-34.3	0	0	0	112.1	R491	R491-P528 PolarHBondContact NH1-O 2.84Å
529	C	80.6	Confident	80.4	Confident	107 Å²	107	84.1 Å²	84.1	72%	0.723	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-58	149	176.1	-57.7	0	0	0	0	111.8
530	G	75.5	Confident	79.6	Confident	29 Å²	29	89.1 Å²	89.1	30%	0.299	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-79.3	166.1	178.6	0	0	0	0	0	112	R491	R491-G530 VanDerWaalsContact CB-N 3.27Å; R491-G530 VanDerWaalsContact CD-CA 3.5Å
531	S	74	Confident	78.9	Confident	117 Å²	117	90.3 Å²	90.3	82%	0.818	50%	0.498	S	S	*	.	S	Bend	trans	-83.4	-17.6	172.2	44.5	0	0	0	0	112.9	D535	S531-D535 PolarHBondContact N-OD2 3.39Å; S531-D535 VanDerWaalsContact N-OD2 3.1Å; S531-D535 PolarHBondContact OG-OD2 3.37Å
532	T	71.9	Confident	78.1	Confident	69 Å²	69	87.5 Å²	87.5	42%	0.423	50%	0.499	S	S	.	.	S	Bend	trans	-125.4	163.6	176.6	83.1	0	0	0	0	111.3	V534 D535	T532-V534 PolarHBondContact O-N 3.13Å; T532-V534 WeakPolarHBondContact OG1-CG2 3.01Å; T532-V534 PolarHBondContact OG1-N 3.28Å; T532-D535 PolarHBondContact N-OD2 3.11Å; T532-D535 PolarHBondContact OG1-N 3.17Å; T532-D535 PolarHBondContact OG1-OD1 3.25Å; T532-D535 PolarHBondContact OG1-OD2 3.42Å
533	E	60.8	Low	77.2	Confident	164 Å²	164	91.5 Å²	91.5	77%	0.766	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.7	178.4	-69.1	-177.3	166.1	0	0	113.3
534	V	61.5	Low	76.1	Confident	108 Å²	108	98.8 Å²	98.8	66%	0.655	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-0	-175.6	-64.4	0	0	0	0	113.9	T532	T532-V534 PolarHBondContact O-N 3.13Å; T532-V534 WeakPolarHBondContact OG1-CG2 3.01Å; T532-V534 PolarHBondContact OG1-N 3.28Å
535	D	55.1	Low	75.1	Confident	87 Å²	87	98.4 Å²	98.4	47%	0.465	56%	0.557	S	S	.	*			trans	-72.6	0	179.3	-75.8	-9.4	0	0	0	113.8	R491 S531 T532	R491-D535 WeakPolarHBondContact CB-O 3.41Å; R491-D535 VanDerWaalsContact CD-C 3.46Å; R491-D535 WeakPolarHBondContact CD-O 3.39Å; R491-D535 WeakPolarHBondContact CD-OXT 3.28Å; R491-D535 WeakPolarHBondContact CG-O 3.28Å; R491-D535 PolarHBondContact N-O 3.3Å; R491-D535 VanDerWaalsContact N-O 3.12Å; R491-D535 PolarHBondContact NE-OXT 3.47Å; S531-D535 PolarHBondContact N-OD2 3.39Å; S531-D535 VanDerWaalsContact N-OD2 3.1Å; S531-D535 PolarHBondContact OG-OD2 3.37Å; T532-D535 PolarHBondContact N-OD2 3.11Å; T532-D535 PolarHBondContact OG1-N 3.17Å; T532-D535 PolarHBondContact OG1-OD1 3.25Å; T532-D535 PolarHBondContact OG1-OD2 3.42Å

Retrieved 535 of 535 residues in 160.3 ms (Link to these results)

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