A0A087YNW0_POEFO Loading...

Zinc finger and BTB domain containing 39

AlphaFold DB , UniProt , Accession A0A087YNW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 697 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	A	24.3	Very low	30.2	Very low	158 Å²	158	127.8 Å²	127.8	100%	1.306	74%	0.736	S	S	*	*				0	113.4	0	0	0	0	0	0	108
2	G	26.8	Very low	30.8	Very low	76 Å²	76	121.8 Å²	121.8	78%	0.784	70%	0.696	S	S	*	*			trans	-78.6	135.8	178.8	0	0	0	0	0	111.2	R4	G2-R4 PolarHBondContact O-N 3.1Å
3	M	25.6	Very low	31.4	Very low	139 Å²	139	118.2 Å²	118.2	69%	0.685	69%	0.691	S	S	*	*			trans	-73.1	108.1	-176.8	-164.2	171.6	-176.6	0	0	110	E19	M3-E19 HydrophobicContact CE-CG 4.46Å
4	R	29.1	Very low	31.9	Very low	230 Å²	230	115.1 Å²	115.1	87%	0.868	69%	0.686	S	S	*	*			trans	-97.2	100.3	-177.7	-164.4	-172	-61.2	171	0.2	109.5	G2 Q6	G2-R4 PolarHBondContact O-N 3.1Å; R4-Q6 PolarHBondContact O-N 3.01Å
5	I	29	Very low	32.5	Very low	89 Å²	89	112.7 Å²	112.7	46%	0.456	67%	0.672	S	S	.	*			trans	-81.2	107.9	-176	-57.3	178.8	0	0	0	110.1	L7 L16	I5-L7 HydrophobicContact CG2-CD1 3.85Å; I5-L7 HydrophobicContact CG2-CD2 4.4Å; I5-L7 HydrophobicContact CG2-CG 3.77Å; I5-L16 HydrophobicContact CD1-CD1 4.24Å; I5-L16 HydrophobicContact CG2-CD1 3.88Å
6	Q	32.2	Very low	33.2	Very low	179 Å²	179	109.8 Å²	109.8	84%	0.836	65%	0.651	S	S	*	*			trans	-123.6	118.9	165.1	-101.3	-172.3	-4.7	0	0	108	R4	R4-Q6 PolarHBondContact O-N 3.01Å
7	L	30.2	Very low	33.8	Very low	85 Å²	85	108.5 Å²	108.5	45%	0.445	64%	0.64	S	S	.	*			trans	-125	128.3	-175.9	-59.6	179.3	0	0	0	111.1	I5 H12 L16	I5-L7 HydrophobicContact CG2-CD1 3.85Å; I5-L7 HydrophobicContact CG2-CD2 4.4Å; I5-L7 HydrophobicContact CG2-CG 3.77Å; L7-H12 HydrophobicContact CB-CB 3.71Å; L7-H12 HydrophobicContact CD1-CB 3.9Å; L7-H12 HydrophobicContact CG-CB 4.32Å; L7-L16 HydrophobicContact CD1-CB 4.25Å; L7-L16 HydrophobicContact CD1-CD1 4.06Å
8	K	31	Very low	34.5	Very low	188 Å²	188	105.6 Å²	105.6	82%	0.817	63%	0.631	S	S	*	*			trans	-110	106.8	-179.4	-84.7	-177.2	172.8	178	0	111	H12	K8-H12 PolarHBondContact O-CE1 3.47Å; K8-H12 PolarHBondContact O-ND1 2.89Å; K8-H12 VanDerWaalsContact O-ND1 3.12Å
9	G	33.6	Very low	35.1	Very low	41 Å²	41	102.8 Å²	102.8	42%	0.423	61%	0.61	S	S	.	*	S	Bend	trans	109.1	171.9	163.5	0	0	0	0	0	116.2	S11 H12	G9-S11 PolarHBondContact O-N 3.13Å; G9-H12 WeakPolarHBondContact O-CB 3.25Å; G9-H12 PolarHBondContact O-N 3.4Å; G9-H12 PolarHBondContact O-ND1 3.12Å
10	P	35.3	Very low	35.6	Very low	140 Å²	140	100.2 Å²	100.2	91%	0.909	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-12.1	-153	27.2	-36.3	0	0	0	116.9	H12	P10-H12 VanDerWaalsContact C-N 3.32Å
11	S	34.9	Very low	36	Very low	81 Å²	81	97.8 Å²	97.8	57%	0.566	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-16.6	174.7	44.9	0	0	0	0	113.6	G9 A13 T15	G9-S11 PolarHBondContact O-N 3.13Å; S11-A13 PolarHBondContact O-N 2.84Å; S11-T15 PolarHBondContact O-OG1 3.4Å
12	H	37	Very low	36.8	Very low	55 Å²	55	96.4 Å²	96.4	26%	0.255	54%	0.539	S	S	.	.	H	α-helix	trans	-79.1	-18.2	-163.9	-71.3	102.9	0	0	0	116.1	L7 K8 G9 P10 T15 L16	L7-H12 HydrophobicContact CB-CB 3.71Å; L7-H12 HydrophobicContact CD1-CB 3.9Å; L7-H12 HydrophobicContact CG-CB 4.32Å; K8-H12 PolarHBondContact O-CE1 3.47Å; K8-H12 PolarHBondContact O-ND1 2.89Å; K8-H12 VanDerWaalsContact O-ND1 3.12Å; G9-H12 WeakPolarHBondContact O-CB 3.25Å; G9-H12 PolarHBondContact O-N 3.4Å; G9-H12 PolarHBondContact O-ND1 3.12Å; P10-H12 VanDerWaalsContact C-N 3.32Å; H12-T15 PolarHBondContact O-N 2.91Å; H12-L16 VanDerWaalsContact O-CB 3.29Å; H12-L16 WeakPolarHBondContact O-CB 3.46Å; H12-L16 PolarHBondContact O-N 3.25Å
13	A	38.7	Very low	37.6	Very low	76 Å²	76	93.5 Å²	93.5	63%	0.628	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-41	177.6	0	0	0	0	0	111.6	S11 L16 L17	S11-A13 PolarHBondContact O-N 2.84Å; A13-L16 PolarHBondContact O-N 2.8Å; A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 PolarHBondContact O-N 3.48Å
14	A	38.8	Very low	38.5	Very low	75 Å²	75	94.8 Å²	94.8	62%	0.62	50%	0.503	S	S	*	.	H	α-helix	trans	-65.9	-41.9	174.6	0	0	0	0	0	111.5	L17 A18	A14-L17 PolarHBondContact O-N 3.38Å; A14-A18 VanDerWaalsContact O-CB 3.31Å; A14-A18 WeakPolarHBondContact O-CB 3.39Å; A14-A18 PolarHBondContact O-N 2.84Å
15	T	40.3	Very low	39	Very low	78 Å²	78	90.3 Å²	90.3	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-39.3	176.2	-36.4	0	0	0	0	112.2	S11 H12 A18 E19	S11-T15 PolarHBondContact O-OG1 3.4Å; H12-T15 PolarHBondContact O-N 2.91Å; T15-A18 PolarHBondContact O-N 3.42Å; T15-E19 WeakPolarHBondContact O-CB 3.31Å; T15-E19 PolarHBondContact O-N 3.47Å
16	L	43.6	Very low	39.6	Very low	66 Å²	66	90.5 Å²	90.5	35%	0.346	50%	0.497	S	S	.	.	H	α-helix	trans	-64	-46	176	-173.1	76.7	0	0	0	110.9	I5 L7 H12 A13 A18 E19 L20	I5-L16 HydrophobicContact CD1-CD1 4.24Å; I5-L16 HydrophobicContact CG2-CD1 3.88Å; L7-L16 HydrophobicContact CD1-CB 4.25Å; L7-L16 HydrophobicContact CD1-CD1 4.06Å; H12-L16 VanDerWaalsContact O-CB 3.29Å; H12-L16 WeakPolarHBondContact O-CB 3.46Å; H12-L16 PolarHBondContact O-N 3.25Å; A13-L16 PolarHBondContact O-N 2.8Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.96Å; L16-E19 PolarHBondContact O-N 3.24Å; L16-L20 HydrophobicContact CG-CD1 4.07Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 2.97Å
17	L	44.7	Very low	39.9	Very low	88 Å²	88	92.9 Å²	92.9	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-37.3	177.8	-145.6	80.7	0	0	0	111.7	A13 A14 N21	A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 PolarHBondContact O-N 3.48Å; A14-L17 PolarHBondContact O-N 3.38Å; L17-N21 WeakPolarHBondContact O-CB 3.42Å; L17-N21 PolarHBondContact O-N 3.31Å; L17-N21 PolarHBondContact O-ND2 2.7Å
18	A	46.5	Very low	40.2	Very low	57 Å²	57	94.9 Å²	94.9	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-44.6	174.5	0	0	0	0	0	111.9	A14 T15 L16 N21 R22	A14-A18 VanDerWaalsContact O-CB 3.31Å; A14-A18 WeakPolarHBondContact O-CB 3.39Å; A14-A18 PolarHBondContact O-N 2.84Å; T15-A18 PolarHBondContact O-N 3.42Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.96Å; A18-N21 CarbonylContact O-C 3.59Å; A18-N21 PolarHBondContact O-N 2.8Å; A18-R22 WeakPolarHBondContact O-CB 3.46Å; A18-R22 PolarHBondContact O-N 3Å
19	E	45	Very low	40.6	Very low	52 Å²	52	93.3 Å²	93.3	24%	0.243	50%	0.495	C	S	.	.	H	α-helix	trans	-72.5	-34.8	-179.1	-161.7	64.2	-170.4	0	0	112.1	M3 T15 L16 R22 C23	M3-E19 HydrophobicContact CE-CG 4.46Å; T15-E19 WeakPolarHBondContact O-CB 3.31Å; T15-E19 PolarHBondContact O-N 3.47Å; L16-E19 PolarHBondContact O-N 3.24Å; E19-R22 VanDerWaalsContact CD-NE 3.29Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 2.94Å; E19-R22 IonicContact OE1-CZ 3.27Å; E19-R22 VanDerWaalsContact OE1-CZ 3.27Å; E19-R22 IonicContact OE1-NE 2.99Å; E19-R22 PolarHBondContact OE1-NE 2.9Å; E19-R22 IonicContact OE1-NH2 2.7Å; E19-R22 PolarHBondContact OE1-NH2 3.2Å; E19-R22 IonicContact OE2-CZ 3.88Å; E19-R22 IonicContact OE2-NE 2.94Å; E19-R22 PolarHBondContact OE2-NE 3.31Å; E19-R22 IonicContact OE2-NH2 3.97Å; E19-C23 PolarHBondContact O-N 2.93Å; E19-C23 PolarHBondContact O-SG 3.24Å; E19-C23 VanDerWaalsContact O-SG 3.42Å
20	L	45.8	Very low	40.8	Very low	50 Å²	50	93.2 Å²	93.2	26%	0.262	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-41.7	169.9	-72.2	170.7	0	0	0	111.7	L16 R22 C23 R24	L16-L20 HydrophobicContact CG-CD1 4.07Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 2.97Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 2.99Å; L20-C23 PolarHBondContact O-N 3.19Å; L20-R24 PolarHBondContact O-N 3.42Å
21	N	42.8	Very low	41	Very low	50 Å²	50	90.9 Å²	90.9	27%	0.267	47%	0.468	S	S	.	.	H	α-helix	trans	-65.6	-32	171.7	-82.8	-54.5	0	0	0	112.6	L17 A18 R24 L25	L17-N21 WeakPolarHBondContact O-CB 3.42Å; L17-N21 PolarHBondContact O-N 3.31Å; L17-N21 PolarHBondContact O-ND2 2.7Å; A18-N21 CarbonylContact O-C 3.59Å; A18-N21 PolarHBondContact O-N 2.8Å; N21-R24 WeakPolarHBondContact O-CB 3.32Å; N21-R24 PolarHBondContact O-N 3.11Å; N21-L25 WeakPolarHBondContact O-CG 3.35Å; N21-L25 PolarHBondContact O-N 3.49Å
22	R	42.9	Very low	41.3	Very low	130 Å²	130	88.6 Å²	88.6	49%	0.491	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-45.4	174.1	-157.6	173.2	80.5	93.6	3.9	111.2	A18 E19 L20 R24 L25 I26	A18-R22 WeakPolarHBondContact O-CB 3.46Å; A18-R22 PolarHBondContact O-N 3Å; E19-R22 VanDerWaalsContact CD-NE 3.29Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 2.94Å; E19-R22 IonicContact OE1-CZ 3.27Å; E19-R22 VanDerWaalsContact OE1-CZ 3.27Å; E19-R22 IonicContact OE1-NE 2.99Å; E19-R22 PolarHBondContact OE1-NE 2.9Å; E19-R22 IonicContact OE1-NH2 2.7Å; E19-R22 PolarHBondContact OE1-NH2 3.2Å; E19-R22 IonicContact OE2-CZ 3.88Å; E19-R22 IonicContact OE2-NE 2.94Å; E19-R22 PolarHBondContact OE2-NE 3.31Å; E19-R22 IonicContact OE2-NH2 3.97Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 2.99Å; R22-R24 VanDerWaalsContact C-N 3.3Å; R22-R24 PolarHBondContact O-N 2.99Å; R22-L25 PolarHBondContact O-N 3.12Å; R22-I26 HydrophobicContact CG-CD1 3.83Å; R22-I26 WeakPolarHBondContact O-CD1 3.35Å; R22-I26 VanDerWaalsContact O-CG1 3.28Å; R22-I26 WeakPolarHBondContact O-CG1 3.48Å; R22-I26 PolarHBondContact O-N 3.22Å
23	C	43.5	Very low	41.5	Very low	15 Å²	15	92.6 Å²	92.6	10%	0.101	47%	0.467	C	S	.	.	H	α-helix	trans	-61.3	-36.7	172.7	-69	0	0	0	0	112.3	E19 L20 I26 R27 Q28	E19-C23 PolarHBondContact O-N 2.93Å; E19-C23 PolarHBondContact O-SG 3.24Å; E19-C23 VanDerWaalsContact O-SG 3.42Å; L20-C23 PolarHBondContact O-N 3.19Å; C23-I26 PolarHBondContact O-N 3.26Å; C23-R27 PolarHBondContact O-N 3.47Å; C23-Q28 PolarHBondContact O-N 3.46Å
24	R	44.3	Very low	41.5	Very low	166 Å²	166	93.6 Å²	93.6	63%	0.626	46%	0.461	S	S	*	.	H	α-helix	trans	-59.3	-49.3	172.2	-171.7	-174.8	77.3	157.3	5.2	111.7	L20 N21 R22 I26 R27	L20-R24 PolarHBondContact O-N 3.42Å; N21-R24 WeakPolarHBondContact O-CB 3.32Å; N21-R24 PolarHBondContact O-N 3.11Å; R22-R24 VanDerWaalsContact C-N 3.3Å; R22-R24 PolarHBondContact O-N 2.99Å; R24-I26 VanDerWaalsContact C-N 3.33Å; R24-I26 PolarHBondContact O-N 3.44Å; R24-R27 PolarHBondContact O-N 3.48Å
25	L	39.8	Very low	41.4	Very low	136 Å²	136	96 Å²	96	71%	0.712	46%	0.459	S	S	*	.	H	α-helix	trans	-64	-34	179.5	-79.2	160.2	0	0	0	113.2	N21 R22	N21-L25 WeakPolarHBondContact O-CG 3.35Å; N21-L25 PolarHBondContact O-N 3.49Å; R22-L25 PolarHBondContact O-N 3.12Å
26	I	39.9	Very low	41.2	Very low	92 Å²	92	95.1 Å²	95.1	47%	0.472	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	3.8	-177.5	-46.7	159.9	0	0	0	111.9	R22 C23 R24 Q28	R22-I26 HydrophobicContact CG-CD1 3.83Å; R22-I26 WeakPolarHBondContact O-CD1 3.35Å; R22-I26 VanDerWaalsContact O-CG1 3.28Å; R22-I26 WeakPolarHBondContact O-CG1 3.48Å; R22-I26 PolarHBondContact O-N 3.22Å; C23-I26 PolarHBondContact O-N 3.26Å; R24-I26 VanDerWaalsContact C-N 3.33Å; R24-I26 PolarHBondContact O-N 3.44Å; I26-Q28 VanDerWaalsContact C-N 3.27Å; I26-Q28 PolarHBondContact O-N 3.13Å
27	R	38.9	Very low	41.3	Very low	229 Å²	229	95.2 Å²	95.2	86%	0.864	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.2	-177.1	-60.8	-175	175.3	-171.1	-1.3	114.3	C23 R24	C23-R27 PolarHBondContact O-N 3.47Å; R24-R27 PolarHBondContact O-N 3.48Å
28	Q	36.5	Very low	40.8	Very low	127 Å²	127	96.7 Å²	96.7	59%	0.593	49%	0.488	S	S	*	.			trans	-92.5	132.7	173.5	-78.1	-171.3	-21.1	0	0	111.8	C23 I26	C23-Q28 PolarHBondContact O-N 3.46Å; I26-Q28 VanDerWaalsContact C-N 3.27Å; I26-Q28 PolarHBondContact O-N 3.13Å
29	Y	39.5	Very low	40.1	Very low	156 Å²	156	102.2 Å²	102.2	61%	0.612	50%	0.497	S	S	*	.			trans	-82.4	136.5	176.6	-60.4	-93.3	0	0	0	110.7	R45	Y29-R45 VanDerWaalsContact CE2-NH2 3.29Å; Y29-R45 VanDerWaalsContact CG-NH2 3.27Å
30	C	38.6	Very low	39.8	Very low	39 Å²	39	104.2 Å²	104.2	26%	0.264	51%	0.513	S	S	.	.			trans	-112.3	136.3	174.1	-62.1	0	0	0	0	110.1
31	D	38.3	Very low	39.3	Very low	91 Å²	91	105.5 Å²	105.5	49%	0.487	52%	0.517	S	S	.	.			trans	-81.1	129.8	166.2	-69.2	-50.4	0	0	0	109.3	F33 H44 R45	D31-F33 HydrophobicContact CB-CE2 4.15Å; D31-H44 IonicContact OD1-ND1 3.27Å; D31-R45 PolarHBondContact OD1-N 3.48Å
32	V	42	Very low	39	Very low	32 Å²	32	106.1 Å²	106.1	19%	0.194	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.5	-176.8	-179.9	0	0	0	0	108.6	A43 A46 L48	V32-A43 PolarHBondContact N-O 3.46Å; V32-A43 CarbonylContact O-C 3.49Å; V32-A43 WeakPolarHBondContact O-CA 3.32Å; V32-A43 WeakPolarHBondContact O-CB 3.43Å; V32-A43 PolarHBondContact O-N 2.82Å; V32-A46 HydrophobicContact CB-CB 4.36Å; V32-A46 HydrophobicContact CG2-CB 4.05Å; V32-L48 HydrophobicContact CG2-CD1 4.44Å
33	F	40.4	Very low	39	Very low	139 Å²	139	101.2 Å²	101.2	61%	0.61	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	120	176.3	-65.5	-93.7	0	0	0	109	D31 F41 A42	D31-F33 HydrophobicContact CB-CE2 4.15Å; F33-F41 CarbonylContact C-O 3.48Å; F33-F41 VanDerWaalsContact CA-O 3.31Å; F33-F41 WeakPolarHBondContact CA-O 3.34Å; F33-A42 HydrophobicContact CD1-CB 3.91Å; F33-A42 HydrophobicContact CE1-CB 3.6Å; F33-A42 HydrophobicContact CZ-CB 4.49Å
34	L	38.8	Very low	38.5	Very low	97 Å²	97	107.3 Å²	107.3	51%	0.508	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.5	177.7	-66.3	171.6	0	0	0	108.6	T40 F41 A43	L34-T40 WeakPolarHBondContact O-CA 3.3Å; L34-F41 PolarHBondContact N-O 3.39Å; L34-F41 PolarHBondContact O-N 3.48Å; L34-A43 HydrophobicContact CD1-CB 4.1Å; L34-A43 HydrophobicContact CG-CB 4.28Å
35	Q	37.3	Very low	38.1	Very low	125 Å²	125	106.2 Å²	106.2	58%	0.584	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.3	178	-170.9	169	-15.8	0	0	110.3	G37 R39 T40	Q35-G37 PolarHBondContact NE2-O 3.27Å; Q35-R39 WeakPolarHBondContact CA-O 3.22Å; Q35-T40 HydrophobicContact CB-CG2 3.94Å; Q35-T40 HydrophobicContact CG-CG2 3.8Å
36	V	35.6	Very low	37.8	Very low	61 Å²	61	100.9 Å²	100.9	37%	0.37	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.3	176.5	-174.1	0	0	0	0	107.7	S38 R39 F41	V36-S38 PolarHBondContact O-N 2.82Å; V36-R39 PolarHBondContact N-O 3.26Å; V36-R39 PolarHBondContact O-N 3.1Å; V36-F41 HydrophobicContact CB-CE2 4.16Å; V36-F41 HydrophobicContact CG2-CE2 4.41Å
37	G	45.6	Very low	37.5	Very low	68 Å²	68	101.8 Å²	101.8	70%	0.701	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-126.6	-169.8	0	0	0	0	0	112.1	Q35	Q35-G37 PolarHBondContact NE2-O 3.27Å
38	S	34.8	Very low	37.4	Very low	118 Å²	118	95.4 Å²	95.4	83%	0.825	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.7	179.4	57.8	0	0	0	0	114.7	V36	V36-S38 PolarHBondContact O-N 2.82Å
39	R	31.8	Very low	37.2	Very low	173 Å²	173	93.4 Å²	93.4	65%	0.653	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	138	-175.4	-64.7	-175.1	-179	-126.9	1.1	111.6	Q35 V36 F41	Q35-R39 WeakPolarHBondContact CA-O 3.22Å; V36-R39 PolarHBondContact N-O 3.26Å; V36-R39 PolarHBondContact O-N 3.1Å; R39-F41 HydrophobicContact CB-CE2 3.86Å; R39-F41 HydrophobicContact CB-CZ 4.09Å
40	T	38.5	Very low	36.9	Very low	94 Å²	94	88.5 Å²	88.5	58%	0.577	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.8	174.8	41.1	0	0	0	0	109.8	L34 Q35	L34-T40 WeakPolarHBondContact O-CA 3.3Å; Q35-T40 HydrophobicContact CB-CG2 3.94Å; Q35-T40 HydrophobicContact CG-CG2 3.8Å
41	F	36.5	Very low	36.4	Very low	78 Å²	78	90.3 Å²	90.3	34%	0.342	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.6	-178.7	-60.4	-92.1	0	0	0	108.5	F33 L34 V36 R39 A43	F33-F41 CarbonylContact C-O 3.48Å; F33-F41 VanDerWaalsContact CA-O 3.31Å; F33-F41 WeakPolarHBondContact CA-O 3.34Å; L34-F41 PolarHBondContact N-O 3.39Å; L34-F41 PolarHBondContact O-N 3.48Å; V36-F41 HydrophobicContact CB-CE2 4.16Å; V36-F41 HydrophobicContact CG2-CE2 4.41Å; R39-F41 HydrophobicContact CB-CE2 3.86Å; R39-F41 HydrophobicContact CB-CZ 4.09Å; F41-A43 PolarHBondContact O-N 2.98Å
42	A	36.4	Very low	36	Very low	62 Å²	62	88.2 Å²	88.2	51%	0.512	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	110.5	176.8	0	0	0	0	0	110	F33	F33-A42 HydrophobicContact CD1-CB 3.91Å; F33-A42 HydrophobicContact CE1-CB 3.6Å; F33-A42 HydrophobicContact CZ-CB 4.49Å
43	A	42.3	Very low	35.7	Very low	28 Å²	28	93 Å²	93	23%	0.231	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	94.5	166.4	0	0	0	0	0	107.9	V32 L34 F41 R45	V32-A43 PolarHBondContact N-O 3.46Å; V32-A43 CarbonylContact O-C 3.49Å; V32-A43 WeakPolarHBondContact O-CA 3.32Å; V32-A43 WeakPolarHBondContact O-CB 3.43Å; V32-A43 PolarHBondContact O-N 2.82Å; L34-A43 HydrophobicContact CD1-CB 4.1Å; L34-A43 HydrophobicContact CG-CB 4.28Å; F41-A43 PolarHBondContact O-N 2.98Å; A43-R45 PolarHBondContact O-N 3.32Å
44	H	32.8	Very low	35.4	Very low	143 Å²	143	95.3 Å²	95.3	66%	0.662	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	125.2	-178.5	-95.1	-68.7	0	0	0	111.4	D31 A46	D31-H44 IonicContact OD1-ND1 3.27Å; H44-A46 PolarHBondContact O-N 2.93Å
45	R	35.1	Very low	35.3	Very low	142 Å²	142	93.1 Å²	93.1	54%	0.536	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	59	169.4	-56.6	177.7	81.3	150.1	0.6	115.5	Y29 D31 A43	Y29-R45 VanDerWaalsContact CE2-NH2 3.29Å; Y29-R45 VanDerWaalsContact CG-NH2 3.27Å; D31-R45 PolarHBondContact OD1-N 3.48Å; A43-R45 PolarHBondContact O-N 3.32Å
46	A	35.1	Very low	35.3	Very low	24 Å²	24	94.8 Å²	94.8	20%	0.198	55%	0.547	C	S	.	.			trans	-83.5	124.9	168.3	0	0	0	0	0	111.8	V32 H44 L48	V32-A46 HydrophobicContact CB-CB 4.36Å; V32-A46 HydrophobicContact CG2-CB 4.05Å; H44-A46 PolarHBondContact O-N 2.93Å; A46-L48 PolarHBondContact O-N 3.49Å
47	V	31.7	Very low	35.3	Very low	111 Å²	111	99 Å²	99	67%	0.673	57%	0.567	S	S	*	*			trans	-86.1	102.4	160.9	178.7	0	0	0	0	107.3	A49	V47-A49 VanDerWaalsContact C-N 3.35Å; V47-A49 PolarHBondContact O-N 2.64Å
48	L	38.5	Very low	34.8	Very low	95 Å²	95	98.2 Å²	98.2	50%	0.497	55%	0.546	S	S	.	.			trans	-72.2	88.9	175.8	-78.1	169	0	0	0	110.5	V32 A46 C50	V32-L48 HydrophobicContact CG2-CD1 4.44Å; A46-L48 PolarHBondContact O-N 3.49Å; L48-C50 PolarHBondContact O-N 2.99Å
49	A	30.9	Very low	34.8	Very low	86 Å²	86	99.2 Å²	99.2	71%	0.711	54%	0.536	S	S	*	.			trans	-75	68.4	171.4	0	0	0	0	0	111.4	V47	V47-A49 VanDerWaalsContact C-N 3.35Å; V47-A49 PolarHBondContact O-N 2.64Å
50	C	34.6	Very low	34.6	Very low	52 Å²	52	96.2 Å²	96.2	35%	0.351	54%	0.541	S	S	.	.			trans	-118.4	82.9	178.6	-71.6	0	0	0	0	111.9	L48	L48-C50 PolarHBondContact O-N 2.99Å
51	A	27.2	Very low	34.3	Very low	78 Å²	78	103 Å²	103	65%	0.645	56%	0.557	S	S	*	*			trans	-142.9	44.4	165.3	0	0	0	0	0	111.7
52	G	30.9	Very low	33.9	Very low	47 Å²	47	103.8 Å²	103.8	49%	0.485	58%	0.577	S	S	.	*	S	Bend	trans	-109.9	141.4	163.6	0	0	0	0	0	109.9	Y54 F55	G52-Y54 PolarHBondContact O-N 3.38Å; G52-F55 PolarHBondContact O-N 3.37Å
53	T	35.8	Very low	34.3	Very low	131 Å²	131	105.9 Å²	105.9	80%	0.804	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-56.2	-16.9	-178.8	45.7	0	0	0	0	114.2	F55 H56	T53-F55 VanDerWaalsContact C-N 3.32Å; T53-F55 PolarHBondContact O-N 2.97Å; T53-H56 VanDerWaalsContact O-CB 3.26Å; T53-H56 WeakPolarHBondContact O-CB 3.42Å; T53-H56 PolarHBondContact O-N 2.86Å
54	Y	34.2	Very low	33.8	Very low	188 Å²	188	111 Å²	111	74%	0.737	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-52.1	-41.8	176.5	-144.9	-101.4	0	0	0	114.1	G52 H56	G52-Y54 PolarHBondContact O-N 3.38Å; Y54-H56 VanDerWaalsContact C-N 3.3Å; Y54-H56 PolarHBondContact O-N 3.35Å
55	F	36.3	Very low	33.7	Very low	52 Å²	52	110.7 Å²	110.7	23%	0.228	62%	0.623	C	S	.	*	G	3₁₀ helix	trans	-77	-13.5	-179.9	-78.3	-80.7	0	0	0	113.9	G52 T53 N57 L58 F59 F86	G52-F55 PolarHBondContact O-N 3.37Å; T53-F55 VanDerWaalsContact C-N 3.32Å; T53-F55 PolarHBondContact O-N 2.97Å; F55-N57 PolarHBondContact O-N 3.22Å; F55-L58 HydrophobicContact CD1-CD1 3.52Å; F55-L58 HydrophobicContact CE1-CD1 3.7Å; F55-L58 HydrophobicContact CG-CD1 4.34Å; F55-L58 PolarHBondContact O-N 3.2Å; F55-F59 HydrophobicContact CB-CE2 4.49Å; F55-F59 HydrophobicContact CD1-CE2 4.33Å; F55-F59 WeakPolarHBondContact O-CD2 3.3Å; F55-F86 HydrophobicContact CE2-CE1 4.47Å; F55-F86 HydrophobicContact CZ-CD1 4.48Å; F55-F86 HydrophobicContact CZ-CE1 4.38Å
56	H	36.7	Very low	34.1	Very low	160 Å²	160	111.2 Å²	111.2	74%	0.741	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-68.1	-17.3	-179.4	-152.9	-59.4	0	0	0	112.8	T53 Y54	T53-H56 VanDerWaalsContact O-CB 3.26Å; T53-H56 WeakPolarHBondContact O-CB 3.42Å; T53-H56 PolarHBondContact O-N 2.86Å; Y54-H56 VanDerWaalsContact C-N 3.3Å; Y54-H56 PolarHBondContact O-N 3.35Å
57	N	35.7	Very low	33.8	Very low	150 Å²	150	114.3 Å²	114.3	80%	0.802	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-102.8	-5.2	177.9	-66.7	-25.6	0	0	0	113.8	F55	F55-N57 PolarHBondContact O-N 3.22Å
58	L	34.6	Very low	33.8	Very low	50 Å²	50	115.3 Å²	115.3	26%	0.262	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-12	179.6	-83.5	167.1	0	0	0	113.7	F55	F55-L58 HydrophobicContact CD1-CD1 3.52Å; F55-L58 HydrophobicContact CE1-CD1 3.7Å; F55-L58 HydrophobicContact CG-CD1 4.34Å; F55-L58 PolarHBondContact O-N 3.2Å
59	F	35.4	Very low	33.2	Very low	140 Å²	140	114.3 Å²	114.3	61%	0.614	68%	0.676	S	S	*	*			trans	-120	96.3	-178.9	-56.6	-71.9	0	0	0	110.7	F55 L72	F55-F59 HydrophobicContact CB-CE2 4.49Å; F55-F59 HydrophobicContact CD1-CE2 4.33Å; F55-F59 WeakPolarHBondContact O-CD2 3.3Å; F59-L72 HydrophobicContact CD1-CD2 4.44Å; F59-L72 HydrophobicContact CE1-CD2 4.05Å
60	S	28.2	Very low	33.1	Very low	109 Å²	109	120.5 Å²	120.5	76%	0.762	69%	0.687	S	S	*	*			trans	-79.3	131.7	171.3	51.6	0	0	0	0	110.9
61	R	31.5	Very low	32.8	Very low	238 Å²	238	122 Å²	122	90%	0.898	70%	0.699	S	S	*	*			trans	-91.6	126.5	176	170.4	-179.7	169.9	173.1	-4	110.1
62	A	28.2	Very low	33	Very low	94 Å²	94	124.6 Å²	124.6	78%	0.777	70%	0.701	S	S	*	*			trans	-144.8	135.6	156	0	0	0	0	0	110.2
63	P	44	Very low	32.8	Very low	106 Å²	106	129.8 Å²	129.8	69%	0.688	71%	0.713	S	S	*	*			trans	-101	134	-179.3	35.3	-28.9	0	0	0	112.4
64	T	33.3	Very low	32.9	Very low	134 Å²	134	129.1 Å²	129.1	82%	0.822	70%	0.699	S	S	*	*			trans	-164.3	144.9	147.7	32.7	0	0	0	0	113.3
65	T	29.9	Very low	32.7	Very low	138 Å²	138	125.8 Å²	125.8	85%	0.847	70%	0.698	S	S	*	*			trans	74.6	135.4	170.7	74.6	0	0	0	0	117.9	S67	T65-S67 PolarHBondContact O-N 2.89Å
66	T	42.7	Very low	32.8	Very low	152 Å²	152	125.3 Å²	125.3	93%	0.933	70%	0.701	S	S	*	*			trans	-84.5	100.5	-173.7	44.1	0	0	0	0	111.4
67	S	30.5	Very low	32.9	Very low	89 Å²	89	122 Å²	122	62%	0.622	69%	0.694	S	S	*	*			trans	-137	140.3	168.3	-175.5	0	0	0	0	109.5	T65 A69	T65-S67 PolarHBondContact O-N 2.89Å; S67-A69 PolarHBondContact O-N 3.48Å
68	P	30.7	Very low	33.1	Very low	132 Å²	132	116.9 Å²	116.9	86%	0.857	67%	0.672	S	S	*	*	S	Bend	trans	-81.2	25.2	-170.3	34.5	-37.8	0	0	0	114.5
69	A	25.7	Very low	33.2	Very low	74 Å²	74	116.7 Å²	116.7	61%	0.612	67%	0.671	S	S	*	*			trans	-133	124.8	179	0	0	0	0	0	110.5	S67	S67-A69 PolarHBondContact O-N 3.48Å
70	F	29.8	Very low	33.6	Very low	216 Å²	216	111.5 Å²	111.5	95%	0.947	65%	0.648	S	S	*	*			trans	-93.7	112.8	163.2	-97.2	-90	0	0	0	108.5
71	S	28.2	Very low	34.3	Very low	85 Å²	85	110 Å²	110	59%	0.594	63%	0.629	S	S	*	*			trans	-80.6	137.7	158.8	40.4	0	0	0	0	109.3	E73	S71-E73 PolarHBondContact O-N 3.12Å
72	L	30.1	Very low	34.7	Very low	132 Å²	132	104.6 Å²	104.6	69%	0.691	61%	0.613	S	S	*	*			trans	-84.6	90	159.1	-97.4	154.2	0	0	0	107.1	F59 F74	F59-L72 HydrophobicContact CD1-CD2 4.44Å; F59-L72 HydrophobicContact CE1-CD2 4.05Å; L72-F74 PolarHBondContact O-N 2.77Å
73	E	28.1	Very low	35.4	Very low	155 Å²	155	102.6 Å²	102.6	72%	0.724	59%	0.591	S	S	*	*			trans	-77.1	118.3	169.4	-73.1	-170.9	154.1	0	0	109.8	S71 V75	S71-E73 PolarHBondContact O-N 3.12Å; E73-V75 PolarHBondContact O-N 2.96Å; E73-V75 VanDerWaalsContact O-N 3.12Å
74	F	36.6	Very low	35.3	Very low	117 Å²	117	98.5 Å²	98.5	51%	0.513	56%	0.563	S	S	.	*			trans	-72.9	100.6	168.6	-69.7	-90.5	0	0	0	108.3	L72 S76 F80	L72-F74 PolarHBondContact O-N 2.77Å; F74-S76 PolarHBondContact O-N 3.44Å; F74-F80 HydrophobicContact CD1-CB 4.45Å; F74-F80 HydrophobicContact CD1-CD2 4.28Å; F74-F80 HydrophobicContact CE1-CD2 4.32Å
75	V	31.6	Very low	35.6	Very low	119 Å²	119	95.3 Å²	95.3	72%	0.721	54%	0.543	S	S	*	.	S	Bend	trans	-63.4	-11.1	-168	-178.8	0	0	0	0	114.4	E73	E73-V75 PolarHBondContact O-N 2.96Å; E73-V75 VanDerWaalsContact O-N 3.12Å
76	S	38.3	Very low	36.1	Very low	42 Å²	42	93.4 Å²	93.4	29%	0.294	52%	0.523	S	S	.	.			trans	-158.3	156.5	165	70.3	0	0	0	0	113.1	F74 A78 N79 F80	F74-S76 PolarHBondContact O-N 3.44Å; S76-A78 PolarHBondContact O-N 3.35Å; S76-N79 PolarHBondContact O-N 2.83Å; S76-N79 PolarHBondContact OG-N 3.24Å; S76-F80 PolarHBondContact O-N 3.48Å
77	P	38.6	Very low	35.9	Very low	90 Å²	90	88.4 Å²	88.4	58%	0.584	49%	0.492	S	S	*	.	H	α-helix	trans	-52.2	-39	169.5	-27.2	35.5	0	0	0	112.6	N79 F80 E81	P77-N79 VanDerWaalsContact C-N 3.26Å; P77-N79 PolarHBondContact O-N 2.91Å; P77-F80 PolarHBondContact O-N 3.42Å; P77-E81 VanDerWaalsContact O-CB 3.27Å; P77-E81 WeakPolarHBondContact O-CB 3.37Å; P77-E81 PolarHBondContact O-N 3.37Å
78	A	38.5	Very low	36.3	Very low	42 Å²	42	89.1 Å²	89.1	35%	0.347	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-21	179.6	0	0	0	0	0	114.4	S76 K82	S76-A78 PolarHBondContact O-N 3.35Å; A78-K82 WeakPolarHBondContact O-CD 3.31Å; A78-K82 WeakPolarHBondContact O-CG 3.42Å; A78-K82 PolarHBondContact O-N 3.32Å
79	N	38.1	Very low	36.6	Very low	46 Å²	46	88.1 Å²	88.1	25%	0.246	47%	0.474	C	S	.	.	H	α-helix	trans	-88	-33.1	173.2	-78.1	-4.8	0	0	0	112	S76 P77 V83	S76-N79 PolarHBondContact O-N 2.83Å; S76-N79 PolarHBondContact OG-N 3.24Å; P77-N79 VanDerWaalsContact C-N 3.26Å; P77-N79 PolarHBondContact O-N 2.91Å; N79-V83 WeakPolarHBondContact O-CG2 3.28Å; N79-V83 PolarHBondContact O-N 3.21Å
80	F	43.3	Very low	37.1	Very low	31 Å²	31	85.8 Å²	85.8	14%	0.136	46%	0.457	C	S	.	.	H	α-helix	trans	-63.7	-45.9	168.6	-178.7	-107.5	0	0	0	110.5	F74 S76 P77 K82 V83 L84 L105 L109 L114	F74-F80 HydrophobicContact CD1-CB 4.45Å; F74-F80 HydrophobicContact CD1-CD2 4.28Å; F74-F80 HydrophobicContact CE1-CD2 4.32Å; S76-F80 PolarHBondContact O-N 3.48Å; P77-F80 PolarHBondContact O-N 3.42Å; F80-K82 PolarHBondContact O-N 3.41Å; F80-V83 PolarHBondContact O-N 3.44Å; F80-V83 VanDerWaalsContact O-N 3.14Å; F80-L84 HydrophobicContact CD1-CD1 4.19Å; F80-L84 HydrophobicContact CE1-CD1 3.41Å; F80-L84 VanDerWaalsContact CE1-CD1 3.41Å; F80-L84 HydrophobicContact CE2-CD1 4.2Å; F80-L84 HydrophobicContact CZ-CD1 3.41Å; F80-L84 VanDerWaalsContact CZ-CD1 3.41Å; F80-L84 WeakPolarHBondContact O-CB 3.27Å; F80-L84 PolarHBondContact O-N 3.41Å; F80-L105 HydrophobicContact CE2-CD2 4.2Å; F80-L105 HydrophobicContact CZ-CD2 3.71Å; F80-L109 HydrophobicContact CE1-CD1 4.22Å; F80-L109 HydrophobicContact CZ-CD1 4.33Å; F80-L114 HydrophobicContact CE1-CD2 4.38Å
81	E	41.8	Very low	37.6	Very low	77 Å²	77	83.5 Å²	83.5	36%	0.36	45%	0.449	S	S	.	.	H	α-helix	trans	-56.7	-43.9	174.8	-172	167.4	-125.4	0	0	112.1	P77 V83 L84 T85	P77-E81 VanDerWaalsContact O-CB 3.27Å; P77-E81 WeakPolarHBondContact O-CB 3.37Å; P77-E81 PolarHBondContact O-N 3.37Å; E81-V83 PolarHBondContact O-N 3.43Å; E81-L84 CarbonylContact O-C 3.6Å; E81-L84 PolarHBondContact O-N 2.85Å; E81-T85 WeakPolarHBondContact O-CB 3.41Å; E81-T85 PolarHBondContact O-N 3.4Å; E81-T85 PolarHBondContact O-OG1 3.18Å
82	K	41.2	Very low	37.9	Very low	126 Å²	126	83 Å²	83	55%	0.548	44%	0.439	S	S	.	.	H	α-helix	trans	-62.8	-39.1	174.1	-75.2	165	-166.8	168.5	0	114	A78 F80 L84 F86	A78-K82 WeakPolarHBondContact O-CD 3.31Å; A78-K82 WeakPolarHBondContact O-CG 3.42Å; A78-K82 PolarHBondContact O-N 3.32Å; F80-K82 PolarHBondContact O-N 3.41Å; K82-L84 VanDerWaalsContact C-N 3.33Å; K82-F86 VanDerWaalsContact O-CB 3.28Å; K82-F86 WeakPolarHBondContact O-CB 3.37Å; K82-F86 PolarHBondContact O-N 3.45Å
83	V	41.7	Very low	38.2	Very low	52 Å²	52	80.9 Å²	80.9	32%	0.315	43%	0.428	S	S	.	.	H	α-helix	trans	-67.7	-38.8	175.3	172.9	0	0	0	0	110.2	N79 F80 E81 F86 V87	N79-V83 WeakPolarHBondContact O-CG2 3.28Å; N79-V83 PolarHBondContact O-N 3.21Å; F80-V83 PolarHBondContact O-N 3.44Å; F80-V83 VanDerWaalsContact O-N 3.14Å; E81-V83 PolarHBondContact O-N 3.43Å; V83-F86 PolarHBondContact O-N 3.05Å; V83-V87 WeakPolarHBondContact O-CG2 3.26Å; V83-V87 PolarHBondContact O-N 2.9Å
84	L	41.8	Very low	38.7	Very low	20 Å²	20	79.3 Å²	79.3	11%	0.105	42%	0.423	C	S	.	.	H	α-helix	trans	-70.9	-42.8	178.9	-141.6	129.1	0	0	0	111.7	F80 E81 K82 F86 V87 Y88 L102 L114	F80-L84 HydrophobicContact CD1-CD1 4.19Å; F80-L84 HydrophobicContact CE1-CD1 3.41Å; F80-L84 VanDerWaalsContact CE1-CD1 3.41Å; F80-L84 HydrophobicContact CE2-CD1 4.2Å; F80-L84 HydrophobicContact CZ-CD1 3.41Å; F80-L84 VanDerWaalsContact CZ-CD1 3.41Å; F80-L84 WeakPolarHBondContact O-CB 3.27Å; F80-L84 PolarHBondContact O-N 3.41Å; E81-L84 CarbonylContact O-C 3.6Å; E81-L84 PolarHBondContact O-N 2.85Å; K82-L84 VanDerWaalsContact C-N 3.33Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 3.22Å; L84-V87 PolarHBondContact O-N 3.42Å; L84-Y88 WeakPolarHBondContact O-CB 3.49Å; L84-Y88 PolarHBondContact O-N 2.88Å; L84-L102 HydrophobicContact CD1-CD1 4.08Å; L84-L102 HydrophobicContact CD1-CG 4.46Å; L84-L102 HydrophobicContact CD2-CD2 4.06Å; L84-L114 HydrophobicContact CD1-CD2 3.83Å; L84-L114 HydrophobicContact CD2-CD1 3.51Å; L84-L114 HydrophobicContact CD2-CD2 3.65Å; L84-L114 HydrophobicContact CD2-CG 4.24Å; L84-L114 HydrophobicContact CG-CD2 4.36Å
85	T	40.9	Very low	38.7	Very low	66 Å²	66	78.7 Å²	78.7	41%	0.405	43%	0.425	S	S	.	.	H	α-helix	trans	-58.8	-44.7	169.6	-54.2	0	0	0	0	110.2	E81 V87 Y88 T89	E81-T85 WeakPolarHBondContact O-CB 3.41Å; E81-T85 PolarHBondContact O-N 3.4Å; E81-T85 PolarHBondContact O-OG1 3.18Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 PolarHBondContact O-N 3.36Å; T85-Y88 PolarHBondContact O-N 3.44Å; T85-Y88 VanDerWaalsContact O-N 3.15Å; T85-T89 HydrophobicContact CG2-CG2 3.78Å; T85-T89 WeakPolarHBondContact O-CB 3.37Å; T85-T89 PolarHBondContact O-N 2.83Å; T85-T89 PolarHBondContact O-OG1 3.27Å
86	F	38.9	Very low	39	Very low	98 Å²	98	77.2 Å²	77.2	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-59.9	-39.1	175.8	-175.7	-98.4	0	0	0	112.7	F55 K82 V83 L84 G90	F55-F86 HydrophobicContact CE2-CE1 4.47Å; F55-F86 HydrophobicContact CZ-CD1 4.48Å; F55-F86 HydrophobicContact CZ-CE1 4.38Å; K82-F86 VanDerWaalsContact O-CB 3.28Å; K82-F86 WeakPolarHBondContact O-CB 3.37Å; K82-F86 PolarHBondContact O-N 3.45Å; V83-F86 PolarHBondContact O-N 3.05Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 3.22Å; F86-G90 WeakPolarHBondContact O-CA 3.29Å; F86-G90 PolarHBondContact O-N 3.47Å
87	V	40.5	Very low	39.2	Very low	47 Å²	47	79 Å²	79	29%	0.285	42%	0.418	S	S	.	.	H	α-helix	trans	-69.5	-37.9	173.7	170.7	0	0	0	0	112.3	V83 L84 T85 I97	V83-V87 WeakPolarHBondContact O-CG2 3.26Å; V83-V87 PolarHBondContact O-N 2.9Å; L84-V87 PolarHBondContact O-N 3.42Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 PolarHBondContact O-N 3.36Å; V87-I97 HydrophobicContact CG1-CD1 4.28Å
88	Y	38.1	Very low	39.5	Very low	105 Å²	105	80 Å²	80	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-87.9	-26.4	-173.7	-132.2	-90.6	0	0	0	114.6	L84 T85 L102	L84-Y88 WeakPolarHBondContact O-CB 3.49Å; L84-Y88 PolarHBondContact O-N 2.88Å; T85-Y88 PolarHBondContact O-N 3.44Å; T85-Y88 VanDerWaalsContact O-N 3.15Å; Y88-L102 HydrophobicContact CE2-CD2 4.18Å
89	T	37.2	Very low	39.8	Very low	110 Å²	110	79.6 Å²	79.6	68%	0.675	41%	0.412	S	S	*	.	H	α-helix	trans	-113	-16	-179.1	75.3	0	0	0	0	113.3	T85	T85-T89 HydrophobicContact CG2-CG2 3.78Å; T85-T89 WeakPolarHBondContact O-CB 3.37Å; T85-T89 PolarHBondContact O-N 2.83Å; T85-T89 PolarHBondContact O-OG1 3.27Å
90	G	35.2	Very low	40.2	Very low	25 Å²	25	78.8 Å²	78.8	26%	0.258	41%	0.414	S	S	.	.	S	Bend	trans	-105.8	71.7	176.8	0	0	0	0	0	112.1	F86 I92	F86-G90 WeakPolarHBondContact O-CA 3.29Å; F86-G90 PolarHBondContact O-N 3.47Å; G90-I92 WeakPolarHBondContact O-CG1 3.43Å; G90-I92 PolarHBondContact O-N 3.27Å
91	E	41.1	Very low	40.3	Very low	168 Å²	168	80.1 Å²	80.1	79%	0.785	43%	0.425	S	S	*	.	S	Bend	trans	47.9	0.9	164.1	-60.5	-167.5	159.7	0	0	120.4	L93	E91-L93 PolarHBondContact O-N 3.39Å
92	I	35	Very low	40.7	Very low	76 Å²	76	77.7 Å²	77.7	39%	0.39	41%	0.414	S	S	.	.			trans	-102	75.3	-175.8	-56.7	174.9	0	0	0	111	G90	G90-I92 WeakPolarHBondContact O-CG1 3.43Å; G90-I92 PolarHBondContact O-N 3.27Å
93	L	35.8	Very low	41.1	Very low	87 Å²	87	72.7 Å²	72.7	46%	0.455	39%	0.392	S	S	.	.			trans	54.1	99.9	143.2	-71.2	144.8	0	0	0	118.3	E91 D95 L96	E91-L93 PolarHBondContact O-N 3.39Å; L93-D95 HydrophobicContact CD2-CB 4Å; L93-D95 PolarHBondContact O-N 3.04Å; L93-D95 VanDerWaalsContact O-N 3.11Å; L93-L96 HydrophobicContact CB-CB 4.1Å; L93-L96 HydrophobicContact CB-CD1 3.71Å; L93-L96 HydrophobicContact CD1-CD1 3.6Å; L93-L96 HydrophobicContact CD2-CD1 4.45Å; L93-L96 HydrophobicContact CG-CD1 4.09Å; L93-L96 PolarHBondContact O-N 3.39Å; L93-L96 VanDerWaalsContact O-N 3.1Å
94	I	38	Very low	41.3	Very low	122 Å²	122	74.4 Å²	74.4	63%	0.626	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.7	156.7	-25.1	176.9	0	0	0	112.1
95	D	36.8	Very low	41.5	Very low	104 Å²	104	75.3 Å²	75.3	56%	0.556	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.2	177.1	-70.2	-29.3	0	0	0	113.9	L93 K616	L93-D95 HydrophobicContact CD2-CB 4Å; L93-D95 PolarHBondContact O-N 3.04Å; L93-D95 VanDerWaalsContact O-N 3.11Å; D95-K616 IonicContact OD2-NZ 2.67Å; D95-K616 PolarHBondContact OD2-NZ 3.36Å
96	L	37.4	Very low	42	Very low	88 Å²	88	72.2 Å²	72.2	46%	0.461	38%	0.382	S	S	.	.	S	Bend	trans	-101	-19.1	-174.9	-114.1	93	0	0	0	116	L93	L93-L96 HydrophobicContact CB-CB 4.1Å; L93-L96 HydrophobicContact CB-CD1 3.71Å; L93-L96 HydrophobicContact CD1-CD1 3.6Å; L93-L96 HydrophobicContact CD2-CD1 4.45Å; L93-L96 HydrophobicContact CG-CD1 4.09Å; L93-L96 PolarHBondContact O-N 3.39Å; L93-L96 VanDerWaalsContact O-N 3.1Å
97	I	43.4	Very low	42.5	Very low	79 Å²	79	71.3 Å²	71.3	41%	0.405	38%	0.38	S	S	.	.	S	Bend	trans	-132.7	125.6	-177.6	-54.2	179	0	0	0	108.7	V87 V99 L102	V87-I97 HydrophobicContact CG1-CD1 4.28Å; I97-V99 PolarHBondContact O-N 3.07Å; I97-L102 HydrophobicContact CG2-CD1 3.98Å
98	D	43.8	Very low	42.7	Very low	110 Å²	110	77.8 Å²	77.8	59%	0.588	40%	0.399	S	S	*	.			trans	-59.5	119.5	176.3	-172.5	-37.5	0	0	0	110.3	G100 V101 L102	D98-G100 PolarHBondContact O-N 2.63Å; D98-G100 WeakPolarHBondContact OD1-CA 3.3Å; D98-G100 PolarHBondContact OD1-N 3.32Å; D98-V101 HydrophobicContact CB-CB 4.2Å; D98-V101 HydrophobicContact CB-CG2 3.84Å; D98-V101 WeakPolarHBondContact O-CB 3.14Å; D98-V101 PolarHBondContact O-N 2.95Å; D98-L102 PolarHBondContact O-N 2.9Å
99	V	46.2	Very low	43	Very low	34 Å²	34	77.2 Å²	77.2	21%	0.206	40%	0.403	C	S	.	.	H	α-helix	trans	-60.2	-32.3	-178	179.1	0	0	0	0	111.6	I97 L102 Y103 F122 L125	I97-V99 PolarHBondContact O-N 3.07Å; V99-L102 PolarHBondContact O-N 3.42Å; V99-Y103 WeakPolarHBondContact O-CB 3.47Å; V99-Y103 PolarHBondContact O-N 2.94Å; V99-F122 HydrophobicContact CG1-CD2 3.67Å; V99-F122 HydrophobicContact CG1-CE2 3.55Å; V99-F122 HydrophobicContact CG1-CG 4.25Å; V99-F122 HydrophobicContact CG1-CZ 4.02Å; V99-F122 HydrophobicContact CG2-CZ 4.3Å; V99-L125 HydrophobicContact CG1-CD1 4.44Å
100	G	46.3	Very low	43.2	Very low	29 Å²	29	75 Å²	75	30%	0.299	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-39.4	174.7	0	0	0	0	0	112.5	D98 Y103 E104	D98-G100 PolarHBondContact O-N 2.63Å; D98-G100 WeakPolarHBondContact OD1-CA 3.3Å; D98-G100 PolarHBondContact OD1-N 3.32Å; G100-Y103 PolarHBondContact O-N 3.31Å; G100-E104 WeakPolarHBondContact O-CB 3.48Å; G100-E104 PolarHBondContact O-N 3.38Å
101	V	45.8	Very low	44	Very low	59 Å²	59	74.6 Å²	74.6	36%	0.358	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-40.9	175.1	177.5	0	0	0	0	110.8	D98 E104 L105	D98-V101 HydrophobicContact CB-CB 4.2Å; D98-V101 HydrophobicContact CB-CG2 3.84Å; D98-V101 WeakPolarHBondContact O-CB 3.14Å; D98-V101 PolarHBondContact O-N 2.95Å; V101-E104 PolarHBondContact O-N 3.29Å; V101-L105 WeakPolarHBondContact O-CB 3.47Å; V101-L105 PolarHBondContact O-N 3.38Å
102	L	49.4	Very low	44.1	Very low	27 Å²	27	68 Å²	68	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-43.5	176.8	-152.5	80.1	0	0	0	111.5	L84 Y88 I97 D98 V99 L105 A106	L84-L102 HydrophobicContact CD1-CD1 4.08Å; L84-L102 HydrophobicContact CD1-CG 4.46Å; L84-L102 HydrophobicContact CD2-CD2 4.06Å; Y88-L102 HydrophobicContact CE2-CD2 4.18Å; I97-L102 HydrophobicContact CG2-CD1 3.98Å; D98-L102 PolarHBondContact O-N 2.9Å; V99-L102 PolarHBondContact O-N 3.42Å; L102-L105 PolarHBondContact O-N 2.89Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.84Å
103	Y	49.2	Very low	44.7	Very low	20 Å²	20	70.4 Å²	70.4	8%	0.078	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-48.3	176.5	174.3	-85.6	0	0	0	112.1	V99 G100 L105 A106 E107 V115 C118 H119 L125	V99-Y103 WeakPolarHBondContact O-CB 3.47Å; V99-Y103 PolarHBondContact O-N 2.94Å; G100-Y103 PolarHBondContact O-N 3.31Å; Y103-L105 VanDerWaalsContact C-N 3.29Å; Y103-L105 PolarHBondContact O-N 3.02Å; Y103-A106 PolarHBondContact O-N 3.39Å; Y103-A106 VanDerWaalsContact O-N 3.15Å; Y103-E107 VanDerWaalsContact CE1-OE2 3.25Å; Y103-E107 WeakPolarHBondContact CE1-OE2 3.34Å; Y103-E107 PolarHBondContact O-N 2.73Å; Y103-E107 PolarHBondContact OH-OE2 2.94Å; Y103-E107 VanDerWaalsContact OH-OE2 3.09Å; Y103-V115 HydrophobicContact CE2-CG1 3.99Å; Y103-C118 HydrophobicContact CD2-CB 3.89Å; Y103-H119 AromaticContact CE2-CE1 3.41Å; Y103-H119 VanDerWaalsContact CE2-CE1 3.41Å; Y103-H119 WeakPolarHBondContact CE2-CE1 3.4Å; Y103-H119 AromaticContact CE2-ND1 3.85Å; Y103-H119 AromaticContact CE2-NE2 3.72Å; Y103-H119 AromaticContact CZ-CE1 3.64Å; Y103-H119 AromaticContact CZ-NE2 3.97Å; Y103-H119 PolarHBondContact OH-CE1 3.02Å; Y103-H119 PolarHBondContact OH-NE2 3.2Å; Y103-L125 HydrophobicContact CD2-CD1 4.01Å; Y103-L125 HydrophobicContact CG-CD1 4.07Å
104	E	47.4	Very low	45.2	Very low	88 Å²	88	67.6 Å²	67.6	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-34.4	178.6	-168.3	-174.6	171	0	0	111.9	G100 V101 R108	G100-E104 WeakPolarHBondContact O-CB 3.48Å; G100-E104 PolarHBondContact O-N 3.38Å; V101-E104 PolarHBondContact O-N 3.29Å; E104-R108 WeakPolarHBondContact O-CB 3.22Å; E104-R108 WeakPolarHBondContact O-CG 3.49Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-R108 VanDerWaalsContact O-N 3.17Å; E104-R108 IonicContact OE1-CZ 3.96Å; E104-R108 IonicContact OE1-NH1 3.71Å; E104-R108 PolarHBondContact OE1-NH1 3.08Å; E104-R108 IonicContact OE1-NH2 3.49Å; E104-R108 PolarHBondContact OE1-NH2 2.99Å
105	L	46	Very low	45.8	Very low	40 Å²	40	62.7 Å²	62.7	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-43.1	173.4	-144.7	91.5	0	0	0	111.5	F80 V101 L102 Y103 R108 L109	F80-L105 HydrophobicContact CE2-CD2 4.2Å; F80-L105 HydrophobicContact CZ-CD2 3.71Å; V101-L105 WeakPolarHBondContact O-CB 3.47Å; V101-L105 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 2.89Å; Y103-L105 VanDerWaalsContact C-N 3.29Å; Y103-L105 PolarHBondContact O-N 3.02Å; L105-R108 PolarHBondContact O-N 3.03Å; L105-L109 HydrophobicContact CD2-CD1 3.91Å; L105-L109 HydrophobicContact CG-CD1 4.03Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.2Å; L105-L109 PolarHBondContact O-N 2.9Å
106	A	50.8	Low	46.4	Very low	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-41.3	179.5	0	0	0	0	0	112.5	L102 Y103 L109 G110 V111 L114 V115	L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.84Å; Y103-A106 PolarHBondContact O-N 3.39Å; Y103-A106 VanDerWaalsContact O-N 3.15Å; A106-L109 PolarHBondContact O-N 2.93Å; A106-G110 PolarHBondContact O-N 2.83Å; A106-G110 VanDerWaalsContact O-N 3.16Å; A106-V111 PolarHBondContact O-N 2.79Å; A106-L114 HydrophobicContact CB-CB 4.25Å; A106-L114 HydrophobicContact CB-CD2 3.71Å; A106-L114 HydrophobicContact CB-CG 3.86Å; A106-V115 HydrophobicContact CB-CG2 3.69Å
107	E	49	Very low	47	Very low	80 Å²	80	63.1 Å²	63.1	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-43	176.1	-169.3	168	-170.8	0	0	111	Y103 G110 V115 R133	Y103-E107 VanDerWaalsContact CE1-OE2 3.25Å; Y103-E107 WeakPolarHBondContact CE1-OE2 3.34Å; Y103-E107 PolarHBondContact O-N 2.73Å; Y103-E107 PolarHBondContact OH-OE2 2.94Å; Y103-E107 VanDerWaalsContact OH-OE2 3.09Å; E107-G110 PolarHBondContact O-N 3.38Å; E107-V115 HydrophobicContact CB-CG2 4.3Å; E107-R133 IonicContact OE1-CZ 2.67Å; E107-R133 IonicContact OE1-NH2 3.9Å; E107-R133 PolarHBondContact OE1-NH2 3Å
108	R	45	Very low	47.2	Very low	183 Å²	183	59.6 Å²	59.6	69%	0.691	32%	0.323	S	S	*	.	H	α-helix	trans	-69.8	-30.1	176.9	-76.9	-170.7	178.1	124	13	115	E104 L105 G110	E104-R108 WeakPolarHBondContact O-CB 3.22Å; E104-R108 WeakPolarHBondContact O-CG 3.49Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-R108 VanDerWaalsContact O-N 3.17Å; E104-R108 IonicContact OE1-CZ 3.96Å; E104-R108 IonicContact OE1-NH1 3.71Å; E104-R108 PolarHBondContact OE1-NH1 3.08Å; E104-R108 IonicContact OE1-NH2 3.49Å; E104-R108 PolarHBondContact OE1-NH2 2.99Å; L105-R108 PolarHBondContact O-N 3.03Å; R108-G110 VanDerWaalsContact C-N 3.31Å
109	L	44.1	Very low	47.7	Very low	93 Å²	93	56.1 Å²	56.1	49%	0.487	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.8	176.4	-67	172.1	0	0	0	112.8	F80 L105 A106 V111	F80-L109 HydrophobicContact CE1-CD1 4.22Å; F80-L109 HydrophobicContact CZ-CD1 4.33Å; L105-L109 HydrophobicContact CD2-CD1 3.91Å; L105-L109 HydrophobicContact CG-CD1 4.03Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.2Å; L105-L109 PolarHBondContact O-N 2.9Å; A106-L109 PolarHBondContact O-N 2.93Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-V111 HydrophobicContact CB-CG2 3.91Å; L109-V111 PolarHBondContact O-N 3.04Å
110	G	42.1	Very low	47.9	Very low	62 Å²	62	58.7 Å²	58.7	64%	0.639	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	18.7	178.6	0	0	0	0	0	114.5	A106 E107 R108 G112	A106-G110 PolarHBondContact O-N 2.83Å; A106-G110 VanDerWaalsContact O-N 3.16Å; E107-G110 PolarHBondContact O-N 3.38Å; R108-G110 VanDerWaalsContact C-N 3.31Å; G110-G112 PolarHBondContact O-N 3.46Å
111	V	50.4	Low	47.7	Very low	17 Å²	17	61.2 Å²	61.2	10%	0.103	34%	0.337	C	S	.	.			trans	-80.8	74.3	-175.7	-169.8	0	0	0	0	109.6	A106 L109 E113 L114 V115	A106-V111 PolarHBondContact O-N 2.79Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-V111 HydrophobicContact CB-CG2 3.91Å; L109-V111 PolarHBondContact O-N 3.04Å; V111-E113 PolarHBondContact O-N 2.98Å; V111-E113 VanDerWaalsContact O-N 3.13Å; V111-L114 HydrophobicContact CB-CB 4.26Å; V111-L114 HydrophobicContact CG1-CB 3.74Å; V111-L114 PolarHBondContact O-N 2.93Å; V111-L114 VanDerWaalsContact O-N 3.09Å; V111-V115 PolarHBondContact O-N 3.21Å; V111-V115 VanDerWaalsContact O-N 3.08Å
112	G	44.7	Very low	47.7	Very low	31 Å²	31	61.5 Å²	61.5	32%	0.32	33%	0.333	S	S	.	.	H	α-helix	trans	-59.9	-25.4	-169.5	0	0	0	0	0	115.3	G110 R116	G110-G112 PolarHBondContact O-N 3.46Å; G112-R116 WeakPolarHBondContact O-CB 3.25Å; G112-R116 VanDerWaalsContact O-CG 3.24Å; G112-R116 WeakPolarHBondContact O-CG 3.42Å; G112-R116 PolarHBondContact O-N 3.29Å; G112-R116 PolarHBondContact O-NH1 2.77Å
113	E	47.2	Very low	47.7	Very low	126 Å²	126	63.9 Å²	63.9	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-73.9	-41	175.1	-74.7	-173.7	176.7	0	0	112.4	V111 R116 A117	V111-E113 PolarHBondContact O-N 2.98Å; V111-E113 VanDerWaalsContact O-N 3.13Å; E113-R116 PolarHBondContact O-N 2.86Å; E113-R116 IonicContact OE1-NH2 2.65Å; E113-R116 PolarHBondContact OE1-NH2 2.82Å; E113-A117 WeakPolarHBondContact O-CB 3.14Å; E113-A117 PolarHBondContact O-N 3.35Å
114	L	46.5	Very low	47.5	Very low	27 Å²	27	69.1 Å²	69.1	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-65.5	-40.9	173.7	-178.2	56.9	0	0	0	111.6	F80 L84 A106 V111 A117 C118	F80-L114 HydrophobicContact CE1-CD2 4.38Å; L84-L114 HydrophobicContact CD1-CD2 3.83Å; L84-L114 HydrophobicContact CD2-CD1 3.51Å; L84-L114 HydrophobicContact CD2-CD2 3.65Å; L84-L114 HydrophobicContact CD2-CG 4.24Å; L84-L114 HydrophobicContact CG-CD2 4.36Å; A106-L114 HydrophobicContact CB-CB 4.25Å; A106-L114 HydrophobicContact CB-CD2 3.71Å; A106-L114 HydrophobicContact CB-CG 3.86Å; V111-L114 HydrophobicContact CB-CB 4.26Å; V111-L114 HydrophobicContact CG1-CB 3.74Å; V111-L114 PolarHBondContact O-N 2.93Å; V111-L114 VanDerWaalsContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 2.89Å; L114-C118 WeakPolarHBondContact O-CB 3.43Å; L114-C118 PolarHBondContact O-N 2.97Å; L114-C118 PolarHBondContact O-SG 2.96Å
115	V	49.3	Very low	47.7	Very low	20 Å²	20	67.1 Å²	67.1	12%	0.121	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-42.2	174	176.6	0	0	0	0	111.2	Y103 A106 E107 V111 C118 H119	Y103-V115 HydrophobicContact CE2-CG1 3.99Å; A106-V115 HydrophobicContact CB-CG2 3.69Å; E107-V115 HydrophobicContact CB-CG2 4.3Å; V111-V115 PolarHBondContact O-N 3.21Å; V111-V115 VanDerWaalsContact O-N 3.08Å; V115-C118 PolarHBondContact O-N 3.42Å; V115-H119 PolarHBondContact O-CD2 3.04Å; V115-H119 VanDerWaalsContact O-CD2 3.27Å; V115-H119 PolarHBondContact O-N 3.04Å
116	R	51.1	Low	47.9	Very low	150 Å²	150	70.5 Å²	70.5	57%	0.566	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-43.6	173.6	-77.8	-173.6	-63.2	-97.5	20.5	112.3	G112 E113 H119 A120	G112-R116 WeakPolarHBondContact O-CB 3.25Å; G112-R116 VanDerWaalsContact O-CG 3.24Å; G112-R116 WeakPolarHBondContact O-CG 3.42Å; G112-R116 PolarHBondContact O-N 3.29Å; G112-R116 PolarHBondContact O-NH1 2.77Å; E113-R116 PolarHBondContact O-N 2.86Å; E113-R116 IonicContact OE1-NH2 2.65Å; E113-R116 PolarHBondContact OE1-NH2 2.82Å; R116-H119 PolarHBondContact O-N 2.89Å; R116-A120 WeakPolarHBondContact O-CB 3.13Å; R116-A120 PolarHBondContact O-N 2.75Å
117	A	48.4	Very low	47.6	Very low	50 Å²	50	75.5 Å²	75.5	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-42.4	176.7	0	0	0	0	0	111.6	E113 L114 A120 T121	E113-A117 WeakPolarHBondContact O-CB 3.14Å; E113-A117 PolarHBondContact O-N 3.35Å; L114-A117 PolarHBondContact O-N 2.89Å; A117-A120 PolarHBondContact O-N 3Å; A117-T121 WeakPolarHBondContact O-CB 3.48Å; A117-T121 PolarHBondContact O-N 3.02Å; A117-T121 PolarHBondContact O-OG1 3.27Å
118	C	49.1	Very low	47.3	Very low	6 Å²	6	76 Å²	76	4%	0.041	43%	0.429	C	S	.	.	H	α-helix	trans	-63.1	-42.9	174.7	-67	0	0	0	0	111.7	Y103 L114 V115 T121 F122	Y103-C118 HydrophobicContact CD2-CB 3.89Å; L114-C118 WeakPolarHBondContact O-CB 3.43Å; L114-C118 PolarHBondContact O-N 2.97Å; L114-C118 PolarHBondContact O-SG 2.96Å; V115-C118 PolarHBondContact O-N 3.42Å; C118-T121 PolarHBondContact O-N 3.35Å; C118-F122 WeakPolarHBondContact O-CA 3.36Å; C118-F122 WeakPolarHBondContact O-CB 3.49Å; C118-F122 PolarHBondContact O-N 3.47Å
119	H	54.4	Low	47.2	Very low	37 Å²	37	68.4 Å²	68.4	17%	0.171	41%	0.406	C	S	.	.	H	α-helix	trans	-65.2	-37.3	174.3	-77.2	-47.9	0	0	0	113.7	Y103 V115 R116 T121 F122 P123	Y103-H119 AromaticContact CE2-CE1 3.41Å; Y103-H119 VanDerWaalsContact CE2-CE1 3.41Å; Y103-H119 WeakPolarHBondContact CE2-CE1 3.4Å; Y103-H119 AromaticContact CE2-ND1 3.85Å; Y103-H119 AromaticContact CE2-NE2 3.72Å; Y103-H119 AromaticContact CZ-CE1 3.64Å; Y103-H119 AromaticContact CZ-NE2 3.97Å; Y103-H119 PolarHBondContact OH-CE1 3.02Å; Y103-H119 PolarHBondContact OH-NE2 3.2Å; V115-H119 PolarHBondContact O-CD2 3.04Å; V115-H119 VanDerWaalsContact O-CD2 3.27Å; V115-H119 PolarHBondContact O-N 3.04Å; R116-H119 PolarHBondContact O-N 2.89Å; H119-T121 VanDerWaalsContact C-N 3.29Å; H119-F122 CarbonylContact O-C 3.53Å; H119-P123 WeakPolarHBondContact O-CA 3.39Å
120	A	50	Low	46.8	Very low	87 Å²	87	71.7 Å²	71.7	72%	0.719	42%	0.416	S	S	*	.	H	α-helix	trans	-68.9	-29.3	176.4	0	0	0	0	0	112.4	R116 A117	R116-A120 WeakPolarHBondContact O-CB 3.13Å; R116-A120 PolarHBondContact O-N 2.75Å; A117-A120 PolarHBondContact O-N 3Å
121	T	42.2	Very low	46.5	Very low	82 Å²	82	72.3 Å²	72.3	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-89.3	-32.5	179.6	-46.7	0	0	0	0	112.4	A117 C118 H119	A117-T121 WeakPolarHBondContact O-CB 3.48Å; A117-T121 PolarHBondContact O-N 3.02Å; A117-T121 PolarHBondContact O-OG1 3.27Å; C118-T121 PolarHBondContact O-N 3.35Å; H119-T121 VanDerWaalsContact C-N 3.29Å
122	F	45.3	Very low	46	Very low	65 Å²	65	74.2 Å²	74.2	29%	0.285	44%	0.438	S	S	.	.			trans	-135.3	76.6	-174.9	-54.2	-76.5	0	0	0	110.3	V99 C118 H119 D124 L125	V99-F122 HydrophobicContact CG1-CD2 3.67Å; V99-F122 HydrophobicContact CG1-CE2 3.55Å; V99-F122 HydrophobicContact CG1-CG 4.25Å; V99-F122 HydrophobicContact CG1-CZ 4.02Å; V99-F122 HydrophobicContact CG2-CZ 4.3Å; C118-F122 WeakPolarHBondContact O-CA 3.36Å; C118-F122 WeakPolarHBondContact O-CB 3.49Å; C118-F122 PolarHBondContact O-N 3.47Å; H119-F122 CarbonylContact O-C 3.53Å; F122-D124 PolarHBondContact O-N 3.27Å; F122-L125 HydrophobicContact CB-CD1 3.8Å; F122-L125 HydrophobicContact CB-CG 4.06Å; F122-L125 HydrophobicContact CG-CD1 4.49Å; F122-L125 PolarHBondContact O-N 3.43Å
123	P	49.3	Very low	45.6	Very low	78 Å²	78	80.9 Å²	80.9	51%	0.506	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.4	-175.1	23.1	-33.3	0	0	0	113.6	H119 L125 Q126	H119-P123 WeakPolarHBondContact O-CA 3.39Å; P123-L125 PolarHBondContact O-N 3.23Å; P123-Q126 WeakPolarHBondContact O-CB 3.4Å; P123-Q126 PolarHBondContact O-N 3.28Å
124	D	46.2	Very low	45	Very low	130 Å²	130	82.1 Å²	82.1	70%	0.695	46%	0.464	S	S	*	.	H	α-helix	trans	-62.3	-27.6	-179.5	-57.2	-46.8	0	0	0	113.7	F122 Q126 V127 S128	F122-D124 PolarHBondContact O-N 3.27Å; D124-Q126 PolarHBondContact O-N 2.83Å; D124-V127 WeakPolarHBondContact O-CB 3.4Å; D124-V127 PolarHBondContact O-N 2.87Å; D124-V127 VanDerWaalsContact O-N 3.11Å; D124-S128 PolarHBondContact O-N 2.79Å
125	L	49.9	Very low	44.5	Very low	45 Å²	45	91.6 Å²	91.6	24%	0.236	50%	0.498	C	S	.	.	H	α-helix	trans	-61.4	-28	174.6	-64.7	177.5	0	0	0	111.9	V99 Y103 F122 P123 V127 S128 A129	V99-L125 HydrophobicContact CG1-CD1 4.44Å; Y103-L125 HydrophobicContact CD2-CD1 4.01Å; Y103-L125 HydrophobicContact CG-CD1 4.07Å; F122-L125 HydrophobicContact CB-CD1 3.8Å; F122-L125 HydrophobicContact CB-CG 4.06Å; F122-L125 HydrophobicContact CG-CD1 4.49Å; F122-L125 PolarHBondContact O-N 3.43Å; P123-L125 PolarHBondContact O-N 3.23Å; L125-V127 VanDerWaalsContact C-N 3.32Å; L125-V127 PolarHBondContact O-N 3.2Å; L125-S128 PolarHBondContact O-N 3.36Å; L125-A129 PolarHBondContact O-N 2.61Å; L125-A129 VanDerWaalsContact O-N 3.07Å
126	Q	50.2	Low	43.6	Very low	112 Å²	112	99.5 Å²	99.5	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-69.5	-29.8	178.3	-158.9	173.5	82.1	0	0	112.4	P123 D124 K130	P123-Q126 WeakPolarHBondContact O-CB 3.4Å; P123-Q126 PolarHBondContact O-N 3.28Å; D124-Q126 PolarHBondContact O-N 2.83Å; Q126-K130 PolarHBondContact O-N 2.93Å
127	V	45.2	Very low	42.6	Very low	104 Å²	104	100.3 Å²	100.3	63%	0.63	55%	0.548	S	S	*	.	H	α-helix	trans	-71	-42.5	175.9	-175.8	0	0	0	0	110.4	D124 L125 K130 A131	D124-V127 WeakPolarHBondContact O-CB 3.4Å; D124-V127 PolarHBondContact O-N 2.87Å; D124-V127 VanDerWaalsContact O-N 3.11Å; L125-V127 VanDerWaalsContact C-N 3.32Å; L125-V127 PolarHBondContact O-N 3.2Å; V127-K130 PolarHBondContact O-N 3.33Å; V127-A131 PolarHBondContact O-N 3.42Å; V127-A131 VanDerWaalsContact O-N 3.11Å
128	S	42.2	Very low	41.8	Very low	90 Å²	90	103.7 Å²	103.7	63%	0.629	57%	0.566	S	S	*	*	H	α-helix	trans	-63.9	-40.7	175.8	-165.8	0	0	0	0	112.2	D124 L125 K130 A131 G132	D124-S128 PolarHBondContact O-N 2.79Å; L125-S128 PolarHBondContact O-N 3.36Å; S128-K130 PolarHBondContact O-N 3.11Å; S128-A131 PolarHBondContact O-N 3.15Å; S128-G132 PolarHBondContact O-N 2.79Å; S128-G132 VanDerWaalsContact O-N 3.14Å
129	A	42.7	Very low	40.9	Very low	24 Å²	24	111.9 Å²	111.9	20%	0.198	61%	0.609	C	S	.	*	H	α-helix	trans	-64.9	-34.8	176.4	0	0	0	0	0	113.3	L125 G132	L125-A129 PolarHBondContact O-N 2.61Å; L125-A129 VanDerWaalsContact O-N 3.07Å; A129-G132 PolarHBondContact O-N 3Å
130	K	36.9	Very low	39.6	Very low	162 Å²	162	117.6 Å²	117.6	70%	0.704	64%	0.641	S	S	*	*	H	α-helix	trans	-70.1	-44	175.4	-122.1	177	-178.6	178.2	0	111.9	Q126 V127 S128 G132 R133	Q126-K130 PolarHBondContact O-N 2.93Å; V127-K130 PolarHBondContact O-N 3.33Å; S128-K130 PolarHBondContact O-N 3.11Å; K130-G132 PolarHBondContact O-N 3.47Å; K130-R133 PolarHBondContact O-N 3.44Å
131	A	36.2	Very low	38.7	Very low	76 Å²	76	119.4 Å²	119.4	63%	0.628	65%	0.648	S	S	*	*	H	α-helix	trans	-62.9	-21.3	175.5	0	0	0	0	0	113.7	V127 S128	V127-A131 PolarHBondContact O-N 3.42Å; V127-A131 VanDerWaalsContact O-N 3.11Å; S128-A131 PolarHBondContact O-N 3.15Å
132	G	38.3	Very low	37.9	Very low	56 Å²	56	118.8 Å²	118.8	58%	0.577	66%	0.658	S	S	*	*	H	α-helix	trans	-83.8	-18	176.9	0	0	0	0	0	115.8	S128 A129 K130	S128-G132 PolarHBondContact O-N 2.79Å; S128-G132 VanDerWaalsContact O-N 3.14Å; A129-G132 PolarHBondContact O-N 3Å; K130-G132 PolarHBondContact O-N 3.47Å
133	R	37.6	Very low	37.1	Very low	171 Å²	171	123.9 Å²	123.9	65%	0.645	69%	0.687	S	S	*	*	H	α-helix	trans	-93.3	-24.5	-174.8	-69.1	-178.6	-167.8	-164	3.2	114.3	E107 K130 R135	E107-R133 IonicContact OE1-CZ 2.67Å; E107-R133 IonicContact OE1-NH2 3.9Å; E107-R133 PolarHBondContact OE1-NH2 3Å; K130-R133 PolarHBondContact O-N 3.44Å; R133-R135 PolarHBondContact O-N 3.5Å; R133-R135 VanDerWaalsContact O-N 3.08Å
134	D	33.4	Very low	36	Very low	152 Å²	152	125.8 Å²	125.8	81%	0.813	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	28.9	179.3	-65.6	-30.5	0	0	0	113.5
135	R	36.8	Very low	35.1	Very low	226 Å²	226	125.2 Å²	125.2	85%	0.853	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	22.5	-175.4	-132.8	179.7	-170.3	179.1	4	116.5	R133	R133-R135 PolarHBondContact O-N 3.5Å; R133-R135 VanDerWaalsContact O-N 3.08Å
136	E	29.8	Very low	33.9	Very low	186 Å²	186	126.9 Å²	126.9	87%	0.869	73%	0.731	S	S	*	*			trans	-101	105.4	162	-66	-159	139.3	0	0	110.5
137	L	30.6	Very low	32.6	Very low	167 Å²	167	124.8 Å²	124.8	87%	0.874	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-71.9	125.4	166.1	-72.9	164.6	0	0	0	108.9
138	P	31.5	Very low	31.7	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-71.8	133.3	168.2	-10.7	26.8	0	0	0	109.8
139	L	30.4	Very low	30.9	Very low	177 Å²	177	127.7 Å²	127.7	93%	0.927	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-77.9	127.3	165.1	-85.5	160.3	0	0	0	109.5
140	D	27.6	Very low	30.1	Very low	158 Å²	158	131.7 Å²	131.7	85%	0.845	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.9	140.2	-179.9	-95.6	-52.7	0	0	0	113.9
141	S	29.8	Very low	29.5	Very low	124 Å²	124	131.3 Å²	131.3	87%	0.867	79%	0.786	S	S	*	*			trans	-167.5	94.1	144.5	-83.7	0	0	0	0	113.3
142	G	26.7	Very low	29.7	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	79%	0.794	S	S	*	*				82.3	102.1	124.2	0	0	0	0	0	121.8
143	L	27.6	Very low	29.3	Very low	173 Å²	173	135.7 Å²	135.7	91%	0.906	80%	0.8	S	S	*	*				96.7	128.9	122.7	-128.3	77.7	0	0	0	121.8
144	V	26.5	Very low	28.7	Very low	117 Å²	117	136.1 Å²	136.1	71%	0.709	82%	0.815	S	S	*	*			trans	91.7	98.7	152.6	-165.2	0	0	0	0	120.7
145	S	26.3	Very low	28.4	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	81%	0.812	S	S	*	*			trans	65.3	122.2	137.5	-58.7	0	0	0	0	123.7
146	G	25.4	Very low	28.1	Very low	80 Å²	80	129 Å²	129	83%	0.825	81%	0.81	S	S	*	*				131.7	104.5	105.7	0	0	0	0	0	119.6
147	G	24	Very low	28.1	Very low	68 Å²	68	125.1 Å²	125.1	70%	0.701	80%	0.803	S	S	*	*				93.8	94.6	126.7	0	0	0	0	0	121.7
148	V	25	Very low	28	Very low	134 Å²	134	122 Å²	122	81%	0.812	80%	0.802	S	S	*	*			trans	42.5	140	132.5	-100.9	0	0	0	0	124.9
149	T	25	Very low	27.8	Very low	120 Å²	120	120.4 Å²	120.4	74%	0.736	80%	0.799	S	S	*	*			trans	80.3	119	142.5	49.6	0	0	0	0	123.8
150	S	27.5	Very low	27.6	Very low	108 Å²	108	117.3 Å²	117.3	76%	0.755	79%	0.792	S	S	*	*			trans	66.7	125.8	133	62.2	0	0	0	0	123.7
151	D	24	Very low	27.5	Very low	154 Å²	154	115.5 Å²	115.5	82%	0.824	79%	0.79	S	S	*	*			trans	-10.9	150	134.3	-78.7	-22.8	0	0	0	117.2
152	P	40.6	Very low	27.4	Very low	123 Å²	123	114.3 Å²	114.3	80%	0.799	78%	0.782	S	S	*	*				-152.7	-175.1	58.6	42.3	-20.9	0	0	0	119.3
153	S	28.2	Very low	27.5	Very low	102 Å²	102	115.9 Å²	115.9	71%	0.713	78%	0.782	S	S	*	*			trans	-70.9	165.1	179.7	55.8	0	0	0	0	117.1
154	L	26.9	Very low	27.4	Very low	180 Å²	180	114.9 Å²	114.9	94%	0.942	78%	0.777	S	S	*	*			trans	-133	138.7	155.3	-91	170	0	0	0	112
155	C	26.3	Very low	27.3	Very low	112 Å²	112	114.4 Å²	114.4	76%	0.757	78%	0.779	S	S	*	*			trans	-109.2	164.8	-179.9	-67.3	0	0	0	0	112.3
156	S	29.7	Very low	27.3	Very low	117 Å²	117	113.5 Å²	113.5	82%	0.818	77%	0.772	S	S	*	*			trans	174.1	139	143.8	-85.3	0	0	0	0	110.3
157	S	31	Very low	27.5	Very low	104 Å²	104	114.7 Å²	114.7	73%	0.727	77%	0.768	S	S	*	*			cis	-161	150.3	2.8	-82.6	0	0	0	0	112.8
158	A	28.1	Very low	27.6	Very low	102 Å²	102	118.1 Å²	118.1	84%	0.843	78%	0.775	S	S	*	*			trans	38.6	156.4	138.9	0	0	0	0	0	123.3
159	A	27.2	Very low	27.7	Very low	88 Å²	88	115 Å²	115	73%	0.727	77%	0.77	S	S	*	*			cis	-171.1	126.8	-24.9	0	0	0	0	0	110.5
160	S	26.5	Very low	27.9	Very low	111 Å²	111	118.2 Å²	118.2	78%	0.776	78%	0.776	S	S	*	*				38.9	133	126.4	-52.2	0	0	0	0	125.4
161	C	25.7	Very low	28	Very low	121 Å²	121	118.7 Å²	118.7	82%	0.818	78%	0.78	S	S	*	*			trans	77.5	147.5	143.8	-62.5	0	0	0	0	120.4
162	S	27.9	Very low	28.1	Very low	99 Å²	99	116.4 Å²	116.4	69%	0.692	78%	0.783	S	S	*	*			cis	-171.3	167.3	-15.4	-86.8	0	0	0	0	111.5
163	S	28	Very low	27.4	Very low	102 Å²	102	115.1 Å²	115.1	71%	0.713	78%	0.782	S	S	*	*			trans	91.7	112.1	143.5	-60.5	0	0	0	0	124.7
164	L	25.9	Very low	28	Very low	152 Å²	152	116.4 Å²	116.4	80%	0.796	79%	0.788	S	S	*	*				74.1	123	120.7	-61.3	173.4	0	0	0	124.5
165	S	24.9	Very low	28	Very low	107 Å²	107	114 Å²	114	75%	0.748	78%	0.781	S	S	*	*			trans	64.1	147.5	132	-54.7	0	0	0	0	121.2
166	S	26.4	Very low	29.2	Very low	100 Å²	100	114.3 Å²	114.3	70%	0.699	78%	0.782	S	S	*	*			cis	-173.2	145.9	-5.1	41.4	0	0	0	0	112.8
167	S	28.4	Very low	28.9	Very low	105 Å²	105	113.3 Å²	113.3	73%	0.734	78%	0.781	S	S	*	*			trans	55.4	131.9	148.5	65	0	0	0	0	124.5
168	V	27.3	Very low	28.6	Very low	140 Å²	140	113.2 Å²	113.2	85%	0.848	79%	0.786	S	S	*	*				154.3	124.6	117.7	165.1	0	0	0	0	114.4
169	G	25.9	Very low	28.4	Very low	68 Å²	68	112.8 Å²	112.8	70%	0.701	78%	0.782	S	S	*	*			trans	69.7	153.6	148.4	0	0	0	0	0	121
170	Q	30.2	Very low	28.9	Very low	187 Å²	187	114.5 Å²	114.5	87%	0.874	79%	0.786	S	S	*	*			cis	-154.9	155.7	-7.5	-73.1	-173.4	-6.6	0	0	112.1
171	S	28.1	Very low	29	Very low	118 Å²	118	113.8 Å²	113.8	83%	0.825	78%	0.781	S	S	*	*			trans	23.6	130.2	152.2	-58	0	0	0	0	124.6
172	A	26.1	Very low	29.4	Very low	107 Å²	107	113.7 Å²	113.7	88%	0.884	78%	0.779	S	S	*	*				175.5	153.6	98	0	0	0	0	0	113.7
173	A	26.7	Very low	29.3	Very low	95 Å²	95	115.2 Å²	115.2	79%	0.785	78%	0.779	S	S	*	*			trans	-131.1	168.8	172.6	0	0	0	0	0	109.6
174	P	40.3	Very low	29.1	Very low	130 Å²	130	118 Å²	118	84%	0.844	78%	0.778	S	S	*	*				-153.1	177.5	75.5	39.3	-17.6	0	0	0	118.3
175	T	28	Very low	29.1	Very low	130 Å²	130	117 Å²	117	80%	0.798	77%	0.769	S	S	*	*			trans	-87.4	-161.9	173.3	6.7	0	0	0	0	112.5
176	P	50.4	Low	29.1	Very low	117 Å²	117	116 Å²	116	76%	0.76	76%	0.762	S	S	*	*			cis	-140.1	-161.3	-9.2	30.9	-5.2	0	0	0	116.2
177	A	24.4	Very low	29	Very low	97 Å²	97	119.7 Å²	119.7	80%	0.802	77%	0.769	S	S	*	*			trans	98	142.6	145.7	0	0	0	0	0	119.2
178	A	24.1	Very low	28.8	Very low	101 Å²	101	123.6 Å²	123.6	84%	0.835	77%	0.773	S	S	*	*			cis	-159.6	170.8	-10.8	0	0	0	0	0	112.1
179	A	24.1	Very low	28.5	Very low	93 Å²	93	127.8 Å²	127.8	77%	0.769	78%	0.775	S	S	*	*			trans	-93.8	-165.8	177.3	0	0	0	0	0	111.8
180	P	37.2	Very low	28.3	Very low	124 Å²	124	135 Å²	135	81%	0.805	78%	0.781	S	S	*	*			cis	-146.2	177.3	44	41.6	-19.9	0	0	0	118.5
181	S	28.6	Very low	28	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	77%	0.772	S	S	*	*			trans	-84.9	-179.3	165.8	-45.7	0	0	0	0	112.9
182	P	35.2	Very low	27.7	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	77%	0.767	S	S	*	*				-126.4	147.1	104.5	9.6	11.2	0	0	0	112
183	L	24.1	Very low	27.6	Very low	131 Å²	131	133 Å²	133	69%	0.686	76%	0.76	S	S	*	*			cis	67.6	143.1	48.2	-57.7	-178.3	0	0	0	112.2
184	F	24.8	Very low	27.6	Very low	162 Å²	162	135.8 Å²	135.8	71%	0.711	76%	0.757	S	S	*	*			cis	-176	169.2	-9.1	-119.3	-160.9	0	0	0	108
185	Q	26	Very low	26.8	Very low	129 Å²	129	137.6 Å²	137.6	60%	0.603	76%	0.756	S	S	*	*			cis	-168.3	145.1	-12	-146.7	-172.6	1.6	0	0	109.7
186	S	24	Very low	26.7	Very low	86 Å²	86	137.1 Å²	137.1	60%	0.601	75%	0.753	S	S	*	*			trans	49.7	173	140.5	67.1	0	0	0	0	121.6
187	Q	26	Very low	25.4	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	75%	0.751	S	S	*	*			cis	-157.6	171.2	17.6	-148.9	159.8	30.7	0	0	113.2
188	K	23.5	Very low	25.3	Very low	187 Å²	187	141 Å²	141	81%	0.813	75%	0.754	S	S	*	*			trans	-75.2	162.1	-178.3	-56.2	163.9	177.3	175	0	112.9
189	Y	20.7	Very low	25.2	Very low	227 Å²	227	144.4 Å²	144.4	89%	0.89	75%	0.754	S	S	*	*				-168.9	-168.1	114.3	-115.1	-88.5	0	0	0	113
190	R	22.4	Very low	26.1	Very low	219 Å²	219	144.8 Å²	144.8	83%	0.826	75%	0.749	S	S	*	*			trans	-126	153.3	-146.1	-115.9	-173.1	172.6	168.2	-4	114.6
191	V	23.4	Very low	25.3	Very low	115 Å²	115	144.2 Å²	144.2	70%	0.697	75%	0.748	S	S	*	*			trans	88.1	145.9	137.3	168.7	0	0	0	0	122.2
192	T	22.8	Very low	25.1	Very low	117 Å²	117	151 Å²	151	72%	0.718	76%	0.759	S	S	*	*			trans	83.1	111.3	160.2	35.1	0	0	0	0	124
193	D	23.9	Very low	25.7	Very low	139 Å²	139	151.1 Å²	151.1	74%	0.743	76%	0.76	S	S	*	*				68.9	137.3	121.7	-86.1	-49.7	0	0	0	127.6
194	Q	26	Very low	25.5	Very low	153 Å²	153	148.9 Å²	148.9	72%	0.715	76%	0.761	S	S	*	*			trans	66.7	108.3	144.2	-71	-178.1	11	0	0	125.1
195	M	23.6	Very low	25.4	Very low	168 Å²	168	148.4 Å²	148.4	83%	0.828	76%	0.764	S	S	*	*				66	151	117.5	-65.9	-172.9	167.6	0	0	124.4
196	V	24.8	Very low	25.3	Very low	121 Å²	121	149.2 Å²	149.2	73%	0.733	77%	0.768	S	S	*	*			trans	98.3	104.7	154.6	-165.7	0	0	0	0	119.4
197	N	23.7	Very low	25.3	Very low	133 Å²	133	151.4 Å²	151.4	71%	0.711	77%	0.772	S	S	*	*			trans	22.9	131.4	138.8	-49.5	-21.3	0	0	0	121.2
198	N	23.1	Very low	25	Very low	161 Å²	161	150.7 Å²	150.7	86%	0.861	77%	0.767	S	S	*	*				-177.8	137.4	102.6	-91	-30.4	0	0	0	115
199	M	21.5	Very low	25	Very low	173 Å²	173	146.6 Å²	146.6	85%	0.852	76%	0.757	S	S	*	*			trans	-87	-178.2	154.5	-97.6	-83	-164.1	0	0	108.9
200	P	42.6	Very low	25.1	Very low	101 Å²	101	143.8 Å²	143.8	66%	0.656	75%	0.752	S	S	*	*			cis	-131.8	-172.4	-20.2	27.8	-5.6	0	0	0	113
201	S	21.4	Very low	25.2	Very low	113 Å²	113	141.6 Å²	141.6	79%	0.79	75%	0.751	S	S	*	*			trans	130.6	133.1	132.5	-53.7	0	0	0	0	118.4
202	R	24.3	Very low	25.1	Very low	237 Å²	237	142 Å²	142	89%	0.894	76%	0.759	S	S	*	*			trans	-69.7	-171.7	157.1	-70.5	173.8	151.3	-175.6	-5.9	110.7
203	P	46.4	Very low	25.1	Very low	123 Å²	123	140.9 Å²	140.9	80%	0.799	76%	0.756	S	S	*	*			cis	-140.4	178.7	1.3	40.3	-20.9	0	0	0	117
204	A	21.6	Very low	25.1	Very low	84 Å²	84	141.3 Å²	141.3	69%	0.694	76%	0.758	S	S	*	*			trans	-168.1	122.7	149	0	0	0	0	0	109.3
205	L	21.9	Very low	25	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	76%	0.759	S	S	*	*				68.5	135	87.7	-62.7	174.1	0	0	0	113.1
206	Q	24.1	Very low	25	Very low	146 Å²	146	137.4 Å²	137.4	68%	0.682	75%	0.752	S	S	*	*			cis	-175	170.7	0.9	-136	179.2	-4.8	0	0	112.5
207	L	22.7	Very low	24.9	Very low	132 Å²	132	137.8 Å²	137.8	69%	0.691	75%	0.754	S	S	*	*			trans	70.9	148.5	149.6	-62.7	159.7	0	0	0	120.1
208	K	21.7	Very low	24.9	Very low	165 Å²	165	137.4 Å²	137.4	72%	0.717	76%	0.757	S	S	*	*			cis	-175.2	159.1	-22.7	-161.3	174.3	158.3	172.7	0	110.9
209	T	22.4	Very low	25	Very low	100 Å²	100	140.6 Å²	140.6	61%	0.613	76%	0.757	S	S	*	*			trans	68.1	150.7	148.9	25.7	0	0	0	0	118.4
210	E	23	Very low	25	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	76%	0.759	S	S	*	*			cis	-143.1	143.9	5.6	-58.9	-162.3	135.8	0	0	107.5
211	Q	24.5	Very low	24.3	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	77%	0.767	S	S	*	*				81.3	105.2	56.7	-164.2	177.9	-2.5	0	0	116
212	S	22	Very low	24.8	Very low	123 Å²	123	141.6 Å²	141.6	86%	0.86	77%	0.767	S	S	*	*			trans	-160.9	160.4	140.3	73.7	0	0	0	0	111.1
213	C	22.4	Very low	24.9	Very low	95 Å²	95	134.5 Å²	134.5	64%	0.642	76%	0.759	S	S	*	*			trans	-129.2	178.2	-165	-60.7	0	0	0	0	113.1
214	D	23.9	Very low	25.1	Very low	148 Å²	148	134 Å²	134	79%	0.791	76%	0.756	S	S	*	*			trans	76.5	147.1	156.4	-46.3	-42.8	0	0	0	117.5
215	D	23	Very low	25.3	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	75%	0.754	S	S	*	*			cis	-157.4	166.2	11.2	-145.6	-28.4	0	0	0	114.5
216	C	23	Very low	25.4	Very low	101 Å²	101	133.6 Å²	133.6	68%	0.682	75%	0.75	S	S	*	*			trans	47.3	121.6	160	-75.2	0	0	0	0	121.7
217	V	24.4	Very low	25.4	Very low	128 Å²	128	133.5 Å²	133.5	78%	0.776	75%	0.754	S	S	*	*				66.3	111.7	60.9	-174.7	0	0	0	0	112.1
218	T	23.8	Very low	25.5	Very low	126 Å²	126	132.4 Å²	132.4	77%	0.773	76%	0.756	S	S	*	*				-166.5	129.8	79.5	-51.6	0	0	0	0	115.3
219	R	25	Very low	25.6	Very low	228 Å²	228	130.1 Å²	130.1	86%	0.86	76%	0.761	S	S	*	*			trans	-10.7	135.6	149.5	-171.6	-169.9	-60.7	175	0.4	120.3
220	C	21.6	Very low	25.9	Very low	133 Å²	133	132.7 Å²	132.7	90%	0.899	77%	0.77	S	S	*	*			trans	-164.2	137.9	132.5	-101.2	0	0	0	0	114.9
221	N	26.3	Very low	26.6	Very low	154 Å²	154	130.8 Å²	130.8	82%	0.824	77%	0.772	S	S	*	*			trans	-133.1	153.3	163.3	-129.6	-8	0	0	0	104.2
222	P	33.2	Very low	26.6	Very low	121 Å²	121	128.8 Å²	128.8	79%	0.786	77%	0.766	S	S	*	*				-152.9	-171.5	61.6	39.9	-17.5	0	0	0	116.5
223	A	26.2	Very low	26.8	Very low	87 Å²	87	129 Å²	129	72%	0.719	77%	0.768	S	S	*	*			trans	-84.8	-166.3	167	0	0	0	0	0	111.5
224	P	50	Low	27.1	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	77%	0.774	S	S	*	*			cis	-142.5	-151.6	3.4	43.4	-20.7	0	0	0	115.6
225	S	25.5	Very low	27.4	Very low	96 Å²	96	126.7 Å²	126.7	67%	0.671	77%	0.77	S	S	*	*			trans	79.2	148.2	162.9	-71.6	0	0	0	0	118.9
226	D	24.9	Very low	27.7	Very low	130 Å²	130	128 Å²	128	70%	0.695	77%	0.771	S	S	*	*			cis	-167.1	163.8	-8.8	-114.6	-48.7	0	0	0	114
227	L	24.4	Very low	28	Very low	145 Å²	145	130.5 Å²	130.5	76%	0.759	78%	0.777	S	S	*	*			trans	67	126.6	148.5	-67.1	163.1	0	0	0	126.4
228	C	23.4	Very low	28	Very low	109 Å²	109	127.6 Å²	127.6	74%	0.736	77%	0.773	S	S	*	*			trans	46.3	133.1	136	-60.8	0	0	0	0	122.4
229	S	24.7	Very low	28.9	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	77%	0.773	S	S	*	*				-177.5	156.6	69.4	-59.9	0	0	0	0	113.4
230	L	28.2	Very low	29	Very low	154 Å²	154	124.8 Å²	124.8	81%	0.806	77%	0.771	S	S	*	*			trans	-85.1	173.7	162.1	-64.1	168.1	0	0	0	110.9
231	P	38	Very low	29.2	Very low	127 Å²	127	122.6 Å²	122.6	83%	0.825	76%	0.763	S	S	*	*				-144.4	170.6	86.7	35.4	-16.8	0	0	0	116.6
232	D	23.6	Very low	30	Very low	131 Å²	131	120.3 Å²	120.3	70%	0.701	76%	0.756	S	S	*	*			trans	-70.4	165.2	-179.6	-65.3	-73.8	0	0	0	116.7
233	S	27.4	Very low	29.6	Very low	128 Å²	128	120.9 Å²	120.9	90%	0.895	76%	0.758	S	S	*	*				-158.6	147.3	122.2	-81.1	0	0	0	0	112.2
234	S	28.4	Very low	29.6	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	76%	0.758	S	S	*	*			trans	-123.5	-172.6	-169.4	-42.5	0	0	0	0	113
235	A	30.1	Very low	28.6	Very low	86 Å²	86	121.5 Å²	121.5	71%	0.711	76%	0.759	S	S	*	*			trans	88.5	145	161.3	0	0	0	0	0	116.9
236	Q	30.5	Very low	28.7	Very low	165 Å²	165	122.3 Å²	122.3	77%	0.771	77%	0.765	S	S	*	*			cis	-168.2	159	-6	-121	178.9	0.3	0	0	113
237	L	27.6	Very low	28.7	Very low	155 Å²	155	120.1 Å²	120.1	81%	0.812	77%	0.773	S	S	*	*			trans	71.9	140	147.5	-63.6	164.1	0	0	0	122.7
238	G	24.8	Very low	28.8	Very low	66 Å²	66	122.2 Å²	122.2	68%	0.68	78%	0.779	S	S	*	*			trans	-90.9	-145.5	161.5	0	0	0	0	0	111.9
239	P	43.6	Very low	30.1	Very low	118 Å²	118	121.9 Å²	121.9	77%	0.766	78%	0.776	S	S	*	*			cis	-147	-156.7	26.9	31.7	-3.7	0	0	0	116
240	E	25.7	Very low	31.3	Very low	178 Å²	178	121.5 Å²	121.5	83%	0.832	77%	0.77	S	S	*	*			trans	83.7	138.4	159.2	-53.5	-59.3	88.6	0	0	123.2
241	A	27.1	Very low	31.2	Very low	87 Å²	87	118.9 Å²	118.9	72%	0.719	77%	0.771	S	S	*	*			trans	-123.2	-156.2	162.3	0	0	0	0	0	107.3
242	P	43	Very low	30.6	Very low	106 Å²	106	125 Å²	125	69%	0.688	78%	0.777	S	S	*	*			cis	-142.5	-164.3	-5.8	37.8	-13.8	0	0	0	115.6
243	T	24.5	Very low	30.8	Very low	133 Å²	133	126.4 Å²	126.4	82%	0.816	78%	0.784	S	S	*	*			trans	69.8	154.5	160.2	63.4	0	0	0	0	120.3
244	S	27.2	Very low	30.7	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	79%	0.787	S	S	*	*			cis	-172.3	169.8	-21.6	58.9	0	0	0	0	111.7
245	S	27.4	Very low	30.5	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	79%	0.787	S	S	*	*			trans	69.3	159	157.3	157.1	0	0	0	0	119.1
246	S	28.4	Very low	30.2	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	79%	0.79	S	S	*	*			cis	179.5	149.8	-38.3	60.3	0	0	0	0	109.3
247	G	24.2	Very low	29.8	Very low	84 Å²	84	127.2 Å²	127.2	87%	0.866	79%	0.792	S	S	*	*			trans	143.6	136.2	162.8	0	0	0	0	0	120
248	E	26	Very low	29.6	Very low	188 Å²	188	126.3 Å²	126.3	88%	0.879	79%	0.792	S	S	*	*			trans	-120.9	-175.3	171.9	-100.9	-156.8	121.3	0	0	109.7
249	P	51.4	Low	29.4	Very low	103 Å²	103	130.2 Å²	130.2	67%	0.669	80%	0.803	S	S	*	*			cis	-126.4	-118.2	-35.8	33.3	-11.1	0	0	0	110.2
250	P	49.4	Very low	28.4	Very low	108 Å²	108	130 Å²	130	70%	0.701	80%	0.804	S	S	*	*			cis	-130.7	157.1	-47.7	35.5	-17	0	0	0	118.2
251	A	27.1	Very low	28.3	Very low	100 Å²	100	130.8 Å²	130.8	83%	0.826	81%	0.805	S	S	*	*			trans	56.8	133.6	137.8	0	0	0	0	0	126.4
252	R	25.4	Very low	28.1	Very low	254 Å²	254	136 Å²	136	96%	0.958	82%	0.815	S	S	*	*				-164.5	168.2	128.1	-133.8	178.7	179	178.7	-0.1	115.2
253	L	26.8	Very low	27.2	Very low	162 Å²	162	134 Å²	134	85%	0.848	81%	0.813	S	S	*	*			trans	-128.1	149.9	-166.3	-89.8	158.5	0	0	0	114.9
254	Q	26.4	Very low	27.1	Very low	205 Å²	205	135.5 Å²	135.5	96%	0.958	82%	0.817	S	S	*	*			trans	171.5	160.5	150.2	-98.4	160.7	-0.3	0	0	111.1
255	G	24.1	Very low	26.9	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	82%	0.822	S	S	*	*			cis	167.6	136	-15.5	0	0	0	0	0	116.7
256	A	22.9	Very low	26.6	Very low	94 Å²	94	138.2 Å²	138.2	78%	0.777	83%	0.828	S	S	*	*			trans	84.2	122.7	150.6	0	0	0	0	0	125.8
257	T	22	Very low	26.5	Very low	132 Å²	132	139.9 Å²	139.9	81%	0.81	83%	0.827	S	S	*	*			trans	55	128	138.6	53.9	0	0	0	0	122.6
258	V	23.3	Very low	26.3	Very low	136 Å²	136	143.8 Å²	143.8	82%	0.824	83%	0.825	S	S	*	*			cis	98.8	119.1	42.2	168.2	0	0	0	0	115.1
259	T	22.5	Very low	26.1	Very low	148 Å²	148	143.3 Å²	143.3	91%	0.908	82%	0.82	S	S	*	*			trans	-165.6	162	144	33.4	0	0	0	0	111.5
260	S	22.4	Very low	24.8	Very low	113 Å²	113	147.9 Å²	147.9	79%	0.79	83%	0.832	S	S	*	*			trans	-130.7	167.8	-168.6	60.9	0	0	0	0	115.3
261	K	23.3	Very low	23.6	Very low	196 Å²	196	151 Å²	151	85%	0.852	84%	0.837	S	S	*	*			trans	172.3	121.9	155.5	-94.4	157.7	-175.7	-174.9	0	107.1
262	Q	22.8	Very low	23.4	Very low	196 Å²	196	152.5 Å²	152.5	92%	0.916	84%	0.836	S	S	*	*			cis	90.6	119.8	39.3	-170.1	165.4	14	0	0	114.4
263	G	23.1	Very low	23.3	Very low	64 Å²	64	148.6 Å²	148.6	66%	0.66	83%	0.829	S	S	*	*			trans	145.3	75.9	161.3	0	0	0	0	0	119.6
264	D	22.6	Very low	23.4	Very low	165 Å²	165	145.4 Å²	145.4	88%	0.882	83%	0.826	S	S	*	*			trans	59	152.4	138.4	-53.1	-27	0	0	0	125.8
265	C	22.7	Very low	23.4	Very low	124 Å²	124	146.7 Å²	146.7	84%	0.838	82%	0.822	S	S	*	*			trans	-110.6	157.5	-171	-42.7	0	0	0	0	113.2
266	V	21.8	Very low	23.9	Very low	146 Å²	146	152.7 Å²	152.7	89%	0.885	83%	0.83	S	S	*	*			trans	-147.8	146.8	142.6	177.5	0	0	0	0	109.9
267	L	25.6	Very low	24.3	Very low	147 Å²	147	153.7 Å²	153.7	77%	0.77	83%	0.832	S	S	*	*			trans	-88.1	158.8	-176.7	-57.5	161	0	0	0	113.2
268	M	20.1	Very low	25	Very low	167 Å²	167	157.7 Å²	157.7	82%	0.823	84%	0.838	S	S	*	*				-170.6	156.8	122.3	-87.5	-36.3	161	0	0	112.6
269	F	23.1	Very low	25.6	Very low	177 Å²	177	153.7 Å²	153.7	78%	0.776	83%	0.825	S	S	*	*			trans	-61.9	153.8	-166.4	-62.9	-103	0	0	0	119
270	E	22.9	Very low	26	Very low	200 Å²	200	155.4 Å²	155.4	94%	0.935	82%	0.822	S	S	*	*				-149.2	146.3	125.9	-116	174.9	175.8	0	0	109.9
271	E	23.8	Very low	26.4	Very low	172 Å²	172	157.9 Å²	157.9	80%	0.804	82%	0.823	S	S	*	*			trans	-104.4	-175.4	-176.7	-85.2	-174.7	113	0	0	112.2
272	V	23.5	Very low	27.4	Very low	133 Å²	133	154.9 Å²	154.9	81%	0.806	81%	0.812	S	S	*	*			trans	83.9	119.6	160	-166.6	0	0	0	0	113.3
273	E	24.2	Very low	28.2	Very low	171 Å²	171	150.5 Å²	150.5	80%	0.799	79%	0.792	S	S	*	*			cis	-133.5	156.9	11.5	-62.9	-170.1	138.4	0	0	113.5
274	A	27.7	Very low	29	Very low	95 Å²	95	152.8 Å²	152.8	79%	0.785	79%	0.786	S	S	*	*			trans	-92	143.7	164.5	0	0	0	0	0	111.5
275	R	27.8	Very low	29.9	Very low	232 Å²	232	151.7 Å²	151.7	88%	0.875	78%	0.775	S	S	*	*			trans	-119.2	117.9	163.1	-85.2	-174.9	170.2	172.8	-2.3	110
276	E	34	Very low	30.8	Very low	198 Å²	198	151.5 Å²	151.5	93%	0.925	76%	0.757	S	S	*	*			trans	-78.6	130.9	177	-61.9	175.1	131.4	0	0	110.4
277	S	31.7	Very low	31.8	Very low	115 Å²	115	152 Å²	152	80%	0.804	74%	0.743	S	S	*	*			trans	-153.7	71.5	168.4	68.8	0	0	0	0	111.2
278	K	35.3	Very low	32.6	Very low	216 Å²	216	150.7 Å²	150.7	94%	0.939	73%	0.733	S	S	*	*			trans	-146.6	116.7	166.4	-93.2	-171.4	171.4	-172.7	0	108
279	G	35.7	Very low	33.6	Very low	53 Å²	53	144.5 Å²	144.5	55%	0.546	70%	0.703	S	S	.	*			trans	175.5	-21.8	179.9	0	0	0	0	0	116
280	E	32.3	Very low	34.4	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	68%	0.68	S	S	*	*	S	Bend	trans	-94.8	-11	-172	-62.4	-179.9	159.5	0	0	114.8
281	M	29.3	Very low	35.3	Very low	165 Å²	165	130.3 Å²	130.3	81%	0.813	65%	0.65	S	S	*	*	S	Bend	trans	-87.6	-32.8	-175.1	-162.3	-178.2	-53.8	0	0	113.5
282	E	44.3	Very low	36.4	Very low	133 Å²	133	126.8 Å²	126.8	62%	0.621	63%	0.634	S	S	*	*	H	α-helix	trans	-77.8	-31.4	-176.3	-65	174.5	171.2	0	0	111.6	E284 E285 W286	E282-E284 VanDerWaalsContact C-N 3.32Å; E282-E284 PolarHBondContact O-N 3.32Å; E282-E285 PolarHBondContact O-N 3.38Å; E282-W286 PolarHBondContact O-N 3.3Å
283	E	40.3	Very low	37.4	Very low	103 Å²	103	120.9 Å²	120.9	48%	0.481	60%	0.598	S	S	.	*	H	α-helix	trans	-65.3	-32.7	-174.3	-156.3	-173.7	145.7	0	0	113.2	R287	E283-R287 WeakPolarHBondContact O-CB 3.31Å; E283-R287 WeakPolarHBondContact O-CD 3.37Å; E283-R287 WeakPolarHBondContact O-CG 3.4Å; E283-R287 PolarHBondContact O-N 3.21Å; E283-R287 IonicContact OE1-CZ 2.5Å; E283-R287 VanDerWaalsContact OE1-CZ 3.25Å; E283-R287 IonicContact OE1-NE 3.93Å; E283-R287 PolarHBondContact OE1-NE 2.88Å; E283-R287 IonicContact OE1-NH2 3.89Å; E283-R287 PolarHBondContact OE1-NH2 3.38Å
284	E	40.3	Very low	38.2	Very low	113 Å²	113	117 Å²	117	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-71.6	-40.5	177.7	-170.1	65.3	-158	0	0	111.7	E282 R287 Q288	E282-E284 VanDerWaalsContact C-N 3.32Å; E282-E284 PolarHBondContact O-N 3.32Å; E284-R287 PolarHBondContact O-N 3.48Å; E284-Q288 WeakPolarHBondContact O-CG 3.43Å; E284-Q288 PolarHBondContact O-N 2.64Å
285	E	40.5	Very low	38.9	Very low	141 Å²	141	118.3 Å²	118.3	66%	0.659	57%	0.571	S	S	*	*	H	α-helix	trans	-63	-42.4	172.4	-74.6	-169.3	130.9	0	0	111.2	E282 R287 Q288 L289	E282-E285 PolarHBondContact O-N 3.38Å; E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 3.13Å; E285-Q288 PolarHBondContact O-N 3.3Å; E285-L289 VanDerWaalsContact O-CB 3.29Å; E285-L289 WeakPolarHBondContact O-CB 3.43Å; E285-L289 PolarHBondContact O-N 2.94Å
286	W	41.8	Very low	39.4	Very low	120 Å²	120	110.1 Å²	110.1	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-36	175.6	-76.4	113.8	0	0	0	112.9	E282 L289 T290 V622 H640	E282-W286 PolarHBondContact O-N 3.3Å; W286-L289 HydrophobicContact CE3-CD2 4.01Å; W286-L289 HydrophobicContact CZ3-CD2 3.85Å; W286-T290 WeakPolarHBondContact O-CB 3.09Å; W286-T290 PolarHBondContact O-N 3.01Å; W286-T290 PolarHBondContact O-OG1 2.93Å; W286-V622 HydrophobicContact CH2-CG1 4.47Å; W286-H640 WeakPolarHBondContact CZ3-O 3.29Å
287	R	42.4	Very low	39.6	Very low	156 Å²	156	101.9 Å²	101.9	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-67.2	-43	174.2	-75.4	166.9	-177.9	-78	2.1	111.9	E283 E284 E285 T290 G291	E283-R287 WeakPolarHBondContact O-CB 3.31Å; E283-R287 WeakPolarHBondContact O-CD 3.37Å; E283-R287 WeakPolarHBondContact O-CG 3.4Å; E283-R287 PolarHBondContact O-N 3.21Å; E283-R287 IonicContact OE1-CZ 2.5Å; E283-R287 VanDerWaalsContact OE1-CZ 3.25Å; E283-R287 IonicContact OE1-NE 3.93Å; E283-R287 PolarHBondContact OE1-NE 2.88Å; E283-R287 IonicContact OE1-NH2 3.89Å; E283-R287 PolarHBondContact OE1-NH2 3.38Å; E284-R287 PolarHBondContact O-N 3.48Å; E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 3.13Å; R287-T290 PolarHBondContact O-N 3.01Å; R287-G291 PolarHBondContact O-N 3.17Å
288	Q	43.1	Very low	39.6	Very low	121 Å²	121	102.7 Å²	102.7	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-64.7	-45.7	174.8	-72	177.3	18.5	0	0	111.9	E284 E285 T290 G291 E292	E284-Q288 WeakPolarHBondContact O-CG 3.43Å; E284-Q288 PolarHBondContact O-N 2.64Å; E285-Q288 PolarHBondContact O-N 3.3Å; Q288-T290 VanDerWaalsContact C-N 3.33Å; Q288-T290 PolarHBondContact O-N 3.12Å; Q288-G291 WeakPolarHBondContact O-CA 3.5Å; Q288-G291 PolarHBondContact O-N 3.09Å; Q288-G291 VanDerWaalsContact O-N 3.15Å; Q288-E292 PolarHBondContact O-N 2.94Å
289	L	42.3	Very low	39.6	Very low	37 Å²	37	98.3 Å²	98.3	19%	0.194	49%	0.491	C	S	.	.	H	α-helix	trans	-63.2	-39.5	177.9	-167.7	76.7	0	0	0	111.7	E285 W286 G291 E292 I293 V622	E285-L289 VanDerWaalsContact O-CB 3.29Å; E285-L289 WeakPolarHBondContact O-CB 3.43Å; E285-L289 PolarHBondContact O-N 2.94Å; W286-L289 HydrophobicContact CE3-CD2 4.01Å; W286-L289 HydrophobicContact CZ3-CD2 3.85Å; L289-G291 VanDerWaalsContact C-N 3.34Å; L289-E292 PolarHBondContact O-N 2.86Å; L289-I293 HydrophobicContact CD2-CD1 4.43Å; L289-I293 HydrophobicContact CG-CD1 4.03Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 WeakPolarHBondContact O-CD1 3.35Å; L289-I293 WeakPolarHBondContact O-CG1 3.48Å; L289-I293 PolarHBondContact O-N 3.16Å; L289-V622 HydrophobicContact CD2-CG2 3.8Å
290	T	38.2	Very low	39.6	Very low	47 Å²	47	100.5 Å²	100.5	29%	0.288	49%	0.487	S	S	.	.	H	α-helix	trans	-68.2	-34.9	175.5	-60.5	0	0	0	0	111.2	W286 R287 Q288 I293 I294	W286-T290 WeakPolarHBondContact O-CB 3.09Å; W286-T290 PolarHBondContact O-N 3.01Å; W286-T290 PolarHBondContact O-OG1 2.93Å; R287-T290 PolarHBondContact O-N 3.01Å; Q288-T290 VanDerWaalsContact C-N 3.33Å; Q288-T290 PolarHBondContact O-N 3.12Å; T290-I293 PolarHBondContact O-N 3.09Å; T290-I294 HydrophobicContact CG2-CD1 3.85Å; T290-I294 HydrophobicContact CG2-CG1 4.44Å; T290-I294 WeakPolarHBondContact O-CB 3.34Å; T290-I294 VanDerWaalsContact O-CG1 3.25Å; T290-I294 WeakPolarHBondContact O-CG1 3.46Å; T290-I294 PolarHBondContact O-N 3.08Å
291	G	42.8	Very low	39.6	Very low	31 Å²	31	96.9 Å²	96.9	32%	0.32	48%	0.478	S	S	.	.	H	α-helix	trans	-58.3	-53	168.6	0	0	0	0	0	112.8	R287 Q288 L289 I293 I294 E295	R287-G291 PolarHBondContact O-N 3.17Å; Q288-G291 WeakPolarHBondContact O-CA 3.5Å; Q288-G291 PolarHBondContact O-N 3.09Å; Q288-G291 VanDerWaalsContact O-N 3.15Å; L289-G291 VanDerWaalsContact C-N 3.34Å; G291-I293 PolarHBondContact O-N 3.3Å; G291-I294 PolarHBondContact O-N 3.33Å; G291-I294 VanDerWaalsContact O-N 3.16Å; G291-E295 PolarHBondContact O-N 3.47Å
292	E	46.6	Very low	39.8	Very low	99 Å²	99	97.1 Å²	97.1	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-57.4	-37	175.8	-70.3	-164	163.8	0	0	112.1	Q288 L289 L296	Q288-E292 PolarHBondContact O-N 2.94Å; L289-E292 PolarHBondContact O-N 2.86Å; E292-L296 WeakPolarHBondContact O-CB 3.36Å; E292-L296 WeakPolarHBondContact O-CD1 3.33Å; E292-L296 WeakPolarHBondContact O-CG 3.47Å; E292-L296 PolarHBondContact O-N 2.87Å; E292-L296 VanDerWaalsContact O-N 3.14Å
293	I	44	Very low	39.2	Very low	8 Å²	8	98.1 Å²	98.1	4%	0.041	48%	0.477	C	S	.	.	H	α-helix	trans	-73	-33.9	-179.9	-69.7	166.6	0	0	0	112.1	L289 T290 G291 S297 L637 K638 A641	L289-I293 HydrophobicContact CD2-CD1 4.43Å; L289-I293 HydrophobicContact CG-CD1 4.03Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 WeakPolarHBondContact O-CD1 3.35Å; L289-I293 WeakPolarHBondContact O-CG1 3.48Å; L289-I293 PolarHBondContact O-N 3.16Å; T290-I293 PolarHBondContact O-N 3.09Å; G291-I293 PolarHBondContact O-N 3.3Å; I293-S297 WeakPolarHBondContact O-CB 3.5Å; I293-S297 PolarHBondContact O-N 2.94Å; I293-L637 HydrophobicContact CD1-CB 4.05Å; I293-L637 HydrophobicContact CD1-CD2 4.37Å; I293-L637 HydrophobicContact CD1-CG 4.48Å; I293-L637 HydrophobicContact CG1-CB 4.06Å; I293-L637 HydrophobicContact CG1-CD2 4.08Å; I293-K638 HydrophobicContact CG2-CB 4.44Å; I293-K638 HydrophobicContact CG2-CG 3.76Å; I293-A641 HydrophobicContact CD1-CB 4.2Å; I293-A641 HydrophobicContact CG2-CB 4.37Å
294	I	41.7	Very low	38.9	Very low	89 Å²	89	97.9 Å²	97.9	46%	0.456	48%	0.476	S	S	.	.	H	α-helix	trans	-73.2	-43.8	176.2	-70	167	0	0	0	110.7	T290 G291 L296 S297 D298	T290-I294 HydrophobicContact CG2-CD1 3.85Å; T290-I294 HydrophobicContact CG2-CG1 4.44Å; T290-I294 WeakPolarHBondContact O-CB 3.34Å; T290-I294 VanDerWaalsContact O-CG1 3.25Å; T290-I294 WeakPolarHBondContact O-CG1 3.46Å; T290-I294 PolarHBondContact O-N 3.08Å; G291-I294 PolarHBondContact O-N 3.33Å; G291-I294 VanDerWaalsContact O-N 3.16Å; I294-L296 VanDerWaalsContact C-N 3.28Å; I294-L296 PolarHBondContact O-N 3.04Å; I294-S297 WeakPolarHBondContact CA-OG 3.28Å; I294-S297 WeakPolarHBondContact O-CA 3.46Å; I294-S297 WeakPolarHBondContact O-CB 3.39Å; I294-S297 PolarHBondContact O-N 3.02Å; I294-S297 PolarHBondContact O-OG 3.34Å; I294-D298 PolarHBondContact O-N 3.32Å
295	E	41.5	Very low	38.6	Very low	123 Å²	123	96.6 Å²	96.6	58%	0.575	47%	0.47	S	S	*	.	H	α-helix	trans	-61.6	-35.6	175.2	-71.4	-174.4	173.5	0	0	112.2	G291 S297 H404	G291-E295 PolarHBondContact O-N 3.47Å; E295-S297 PolarHBondContact O-N 3.31Å; E295-H404 IonicContact OE2-CE1 2.66Å
296	L	38.9	Very low	38.3	Very low	60 Å²	60	96.6 Å²	96.6	31%	0.314	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-0.2	170.9	-70.5	171	0	0	0	114	E292 I294 I634	E292-L296 WeakPolarHBondContact O-CB 3.36Å; E292-L296 WeakPolarHBondContact O-CD1 3.33Å; E292-L296 WeakPolarHBondContact O-CG 3.47Å; E292-L296 PolarHBondContact O-N 2.87Å; E292-L296 VanDerWaalsContact O-N 3.14Å; I294-L296 VanDerWaalsContact C-N 3.28Å; I294-L296 PolarHBondContact O-N 3.04Å; L296-I634 HydrophobicContact CB-CG2 4.07Å; L296-I634 HydrophobicContact CD2-CD1 4.29Å
297	S	39.1	Very low	37.8	Very low	25 Å²	25	94.9 Å²	94.9	18%	0.175	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-17.4	-176.7	81.7	0	0	0	0	115.3	I293 I294 E295 D299 E300 K638	I293-S297 WeakPolarHBondContact O-CB 3.5Å; I293-S297 PolarHBondContact O-N 2.94Å; I294-S297 WeakPolarHBondContact CA-OG 3.28Å; I294-S297 WeakPolarHBondContact O-CA 3.46Å; I294-S297 WeakPolarHBondContact O-CB 3.39Å; I294-S297 PolarHBondContact O-N 3.02Å; I294-S297 PolarHBondContact O-OG 3.34Å; E295-S297 PolarHBondContact O-N 3.31Å; S297-D299 VanDerWaalsContact C-N 3.28Å; S297-E300 WeakPolarHBondContact O-CG 3.31Å; S297-K638 VanDerWaalsContact CB-CE 3.41Å; S297-K638 VanDerWaalsContact CB-NZ 3.33Å
298	D	31.6	Very low	37.8	Very low	133 Å²	133	96.1 Å²	96.1	71%	0.711	48%	0.483	S	S	*	.	S	Bend	trans	-80.7	-13.2	174.4	-69.9	-27.2	0	0	0	112.2	I294 E300	I294-D298 PolarHBondContact O-N 3.32Å; D298-E300 PolarHBondContact O-N 2.95Å
299	D	35.9	Very low	37.7	Very low	123 Å²	123	97.4 Å²	97.4	66%	0.658	49%	0.489	S	S	*	.			trans	-70.7	38.8	163.9	-93.5	-11.9	0	0	0	112.5	S297 T301	S297-D299 VanDerWaalsContact C-N 3.28Å; D299-T301 PolarHBondContact O-N 2.81Å
300	E	33.8	Very low	37.8	Very low	99 Å²	99	103.7 Å²	103.7	46%	0.463	52%	0.517	S	S	.	.			trans	-79.9	41.1	171.7	-67.4	-102.5	174.2	0	0	111.6	S297 D298 K638 S656 L660	S297-E300 WeakPolarHBondContact O-CG 3.31Å; D298-E300 PolarHBondContact O-N 2.95Å; E300-K638 IonicContact OE1-NZ 2.67Å; E300-K638 PolarHBondContact OE1-NZ 3.48Å; E300-S656 WeakPolarHBondContact OE1-CB 3.48Å; E300-S656 PolarHBondContact OE1-OG 2.82Å; E300-S656 PolarHBondContact OE2-OG 3.11Å; E300-L660 WeakPolarHBondContact OE2-CD1 3.38Å
301	T	32.9	Very low	37.6	Very low	109 Å²	109	107.4 Å²	107.4	67%	0.669	54%	0.535	S	S	*	.	S	Bend	trans	-100	133.3	152.1	-56.1	0	0	0	0	107.1	D299 M303	D299-T301 PolarHBondContact O-N 2.81Å; T301-M303 PolarHBondContact O-N 3.28Å
302	Y	33.9	Very low	37.3	Very low	170 Å²	170	109.6 Å²	109.6	67%	0.667	54%	0.539	S	S	*	.			trans	-59.6	86.7	174.2	176.8	-104	0	0	0	109.8	E304	Y302-E304 VanDerWaalsContact C-N 3.31Å; Y302-E304 HydrophobicContact CD1-CG 3.66Å; Y302-E304 HydrophobicContact CE1-CG 3.35Å; Y302-E304 PolarHBondContact O-N 3.21Å
303	M	32.4	Very low	36.4	Very low	153 Å²	153	110.4 Å²	110.4	75%	0.754	55%	0.55	S	S	*	*			trans	-69	97.1	166.8	-68.8	-67.3	-73.5	0	0	106.1	T301 E305	T301-M303 PolarHBondContact O-N 3.28Å; M303-E305 PolarHBondContact O-N 3.34Å
304	E	33.9	Very low	35.7	Very low	98 Å²	98	114.9 Å²	114.9	46%	0.458	58%	0.581	S	S	.	*			trans	-45.9	135.1	160.8	-69.1	177.8	-168.6	0	0	107.7	Y302 E306	Y302-E304 VanDerWaalsContact C-N 3.31Å; Y302-E304 HydrophobicContact CD1-CG 3.66Å; Y302-E304 HydrophobicContact CE1-CG 3.35Å; Y302-E304 PolarHBondContact O-N 3.21Å; E304-E306 HydrophobicContact CB-CG 3.98Å; E304-E306 PolarHBondContact O-N 3.47Å
305	E	32.8	Very low	35	Very low	86 Å²	86	114.8 Å²	114.8	40%	0.402	58%	0.584	S	S	.	*			trans	-69.2	67.9	157.1	-72.9	-171.9	179.6	0	0	105.6	M303 D307 R610 Y618	M303-E305 PolarHBondContact O-N 3.34Å; E305-D307 PolarHBondContact O-N 3.26Å; E305-R610 IonicContact OE1-NH1 2.61Å; E305-R610 IonicContact OE2-NH1 3.28Å; E305-R610 IonicContact OE2-NH2 3.25Å; E305-R610 PolarHBondContact OE2-NH2 2.93Å; E305-Y618 PolarHBondContact OE1-OH 3.37Å
306	E	34.7	Very low	34.6	Very low	142 Å²	142	116 Å²	116	66%	0.664	59%	0.591	S	S	*	*			trans	-58.1	130.5	162.5	-82.1	-175.7	141	0	0	106.4	E304 E308	E304-E306 HydrophobicContact CB-CG 3.98Å; E304-E306 PolarHBondContact O-N 3.47Å; E306-E308 PolarHBondContact O-N 2.9Å
307	D	31.8	Very low	34	Very low	83 Å²	83	118.9 Å²	118.9	44%	0.444	61%	0.606	S	S	.	*			trans	-57.3	126.6	-175.8	-64.1	-71.5	0	0	0	109.4	E305 E309 E310 S602	E305-D307 PolarHBondContact O-N 3.26Å; D307-E309 PolarHBondContact O-N 3.46Å; D307-E310 PolarHBondContact O-N 3.42Å; D307-S602 WeakPolarHBondContact OD2-CB 3.14Å; D307-S602 PolarHBondContact OD2-OG 3.4Å
308	E	42.7	Very low	33.3	Very low	183 Å²	183	121.3 Å²	121.3	86%	0.855	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	17.7	177.6	-68.2	-166	136.6	0	0	113.6	E306	E306-E308 PolarHBondContact O-N 2.9Å
309	E	40.8	Very low	33	Very low	148 Å²	148	118.6 Å²	118.6	69%	0.692	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	1	174.6	-69.7	-121.4	127.3	0	0	114.4	D307 K345	D307-E309 PolarHBondContact O-N 3.46Å; E309-K345 IonicContact OE1-NZ 3.34Å; E309-K345 PolarHBondContact OE1-NZ 3.48Å; E309-K345 IonicContact OE2-NZ 3.51Å; E309-K345 PolarHBondContact OE2-NZ 3.3Å
310	E	44.7	Very low	32.7	Very low	168 Å²	168	123.8 Å²	123.8	79%	0.785	64%	0.641	S	S	*	*			trans	-133.3	33.5	-175.5	-127.9	167.5	-108.5	0	0	117.3	D307	D307-E310 PolarHBondContact O-N 3.42Å
311	D	34.2	Very low	32.3	Very low	125 Å²	125	125.3 Å²	125.3	67%	0.668	65%	0.653	S	S	*	*			trans	-114.5	72.4	178.7	-141.9	1.8	0	0	0	113.4
312	L	36.4	Very low	32.2	Very low	77 Å²	77	128.7 Å²	128.7	40%	0.403	66%	0.661	S	S	.	*			trans	-123.2	51.2	164.4	-89.9	176.1	0	0	0	110.6	C314 P341 V381	L312-C314 PolarHBondContact O-N 3.12Å; L312-C314 VanDerWaalsContact O-N 3.14Å; L312-P341 HydrophobicContact CB-CB 4.35Å; L312-P341 HydrophobicContact CB-CG 4.02Å; L312-P341 HydrophobicContact CD1-CB 4.18Å; L312-V381 HydrophobicContact CD2-CG1 3.85Å; L312-V381 HydrophobicContact CD2-CG2 4.5Å
313	V	27.8	Very low	32.1	Very low	116 Å²	116	127.3 Å²	127.3	70%	0.703	67%	0.67	S	S	*	*			trans	-72.5	104	169.7	-175.4	0	0	0	0	109.2	V315	V313-V315 PolarHBondContact O-N 2.8Å
314	C	28.5	Very low	32.3	Very low	102 Å²	102	125.3 Å²	125.3	69%	0.689	67%	0.671	S	S	*	*			trans	-68.4	115.7	172.4	-65.8	0	0	0	0	109.7	L312 E316	L312-C314 PolarHBondContact O-N 3.12Å; L312-C314 VanDerWaalsContact O-N 3.14Å; C314-E316 PolarHBondContact O-N 2.94Å; C314-E316 VanDerWaalsContact O-N 3.14Å
315	V	27.8	Very low	32.6	Very low	87 Å²	87	127.3 Å²	127.3	53%	0.527	67%	0.674	S	S	.	*			trans	-76.1	99.3	169.1	179.6	0	0	0	0	108.5	V313 N317	V313-V315 PolarHBondContact O-N 2.8Å; V315-N317 PolarHBondContact O-N 2.88Å
316	E	31.2	Very low	33.3	Very low	150 Å²	150	129.3 Å²	129.3	70%	0.701	69%	0.688	S	S	*	*			trans	-65.9	116	164.5	-74.4	-162.1	131.6	0	0	109.7	C314	C314-E316 PolarHBondContact O-N 2.94Å; C314-E316 VanDerWaalsContact O-N 3.14Å
317	N	27.3	Very low	34.2	Very low	119 Å²	119	128.4 Å²	128.4	64%	0.636	68%	0.684	S	S	*	*			trans	-103	116.6	155.9	-89.8	-39.3	0	0	0	108	V315 E508	V315-N317 PolarHBondContact O-N 2.88Å; N317-E508 PolarHBondContact ND2-OE1 3.22Å
318	G	24.6	Very low	35.4	Very low	77 Å²	77	127.1 Å²	127.1	79%	0.794	68%	0.676	S	S	*	*			trans	-80.1	137.2	-158.5	0	0	0	0	0	115.7
319	A	25.1	Very low	35.8	Very low	75 Å²	75	121.4 Å²	121.4	62%	0.62	66%	0.657	S	S	*	*			trans	-127.5	147.7	144.8	0	0	0	0	0	108.3	R325	A319-R325 PolarHBondContact O-NH1 3.34Å; A319-R325 PolarHBondContact O-NH2 3.49Å
320	R	29.4	Very low	36.8	Very low	232 Å²	232	114.4 Å²	114.4	88%	0.875	62%	0.624	S	S	*	*			trans	-72.8	137.6	-179	-65.9	178.3	176.5	-162	-3.4	110.6
321	D	26.3	Very low	37.4	Very low	131 Å²	131	114.7 Å²	114.7	70%	0.701	62%	0.623	S	S	*	*				174.7	161.1	126	-83.4	-10.9	0	0	0	110.1	R325	D321-R325 PolarHBondContact O-NH2 2.71Å
322	E	31.1	Very low	38.6	Very low	181 Å²	181	110.9 Å²	110.9	85%	0.846	61%	0.609	S	S	*	*			trans	-89.1	147.2	-144.3	-67.5	179.7	145.2	0	0	116.2
323	V	31.5	Very low	40	Very low	140 Å²	140	109.9 Å²	109.9	85%	0.848	61%	0.607	S	S	*	*	S	Bend	trans	57.3	56.5	150.7	-172.2	0	0	0	0	117
324	S	35.3	Very low	41.5	Very low	111 Å²	111	109.1 Å²	109.1	78%	0.776	61%	0.607	S	S	*	*			trans	-155.2	12.6	157.6	-79.1	0	0	0	0	115.4	N326	S324-N326 PolarHBondContact O-N 3.25Å
325	R	41.7	Very low	43.5	Very low	141 Å²	141	107.4 Å²	107.4	53%	0.532	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-8.7	-155.7	-89.4	-178.1	-171.2	179.3	3.2	119.9	A319 D321 Q327	A319-R325 PolarHBondContact O-NH1 3.34Å; A319-R325 PolarHBondContact O-NH2 3.49Å; D321-R325 PolarHBondContact O-NH2 2.71Å; R325-Q327 PolarHBondContact O-N 3.33Å
326	N	47.4	Very low	44.9	Very low	128 Å²	128	108.4 Å²	108.4	68%	0.684	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	22.4	-171.5	-68.1	11.2	0	0	0	114.4	S324 P338 A339	S324-N326 PolarHBondContact O-N 3.25Å; N326-P338 WeakPolarHBondContact O-CA 3.33Å; N326-A339 PolarHBondContact O-N 2.87Å; N326-A339 VanDerWaalsContact O-N 3.11Å
327	Q	53.5	Low	46.3	Very low	123 Å²	123	101.9 Å²	101.9	58%	0.575	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.3	116	-177.9	-65.3	-179.1	15.6	0	0	112.8	R325 L336 L337	R325-Q327 PolarHBondContact O-N 3.33Å; Q327-L336 HydrophobicContact CB-CB 4.41Å; Q327-L336 HydrophobicContact CB-CD2 4.24Å; Q327-L337 CarbonylContact C-O 3.58Å; Q327-L337 WeakPolarHBondContact CA-O 3.41Å
328	L	56.1	Low	47.7	Very low	55 Å²	55	99.7 Å²	99.7	29%	0.288	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.3	136.2	170.9	-67.7	164.9	0	0	0	109.1	L336 L337 A339 V344	L328-L336 WeakPolarHBondContact O-CA 3.43Å; L328-L337 HydrophobicContact CB-CB 4.48Å; L328-L337 PolarHBondContact N-O 3.18Å; L328-L337 PolarHBondContact O-N 3Å; L328-A339 HydrophobicContact CD1-CB 4.49Å; L328-V344 HydrophobicContact CD1-CG2 3.73Å
329	S	51.9	Low	49.1	Very low	64 Å²	64	98.9 Å²	98.9	45%	0.448	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124	174.6	57.8	0	0	0	0	111	K331 S380	S329-K331 PolarHBondContact O-N 3.02Å; S329-S380 PolarHBondContact O-OG 3.04Å
330	C	60.3	Low	50.5	Low	1 Å²	1	98.3 Å²	98.3	1%	0.007	53%	0.53	C	S	.	.	B	Isolated β-bridge	trans	-67.5	119.7	172.4	178.5	0	0	0	0	109.9	A332 C333 S334 V335 L337 H347	C330-A332 PolarHBondContact O-N 3.48Å; C330-A332 VanDerWaalsContact O-N 3.13Å; C330-C333 PolarHBondContact O-N 2.87Å; C330-S334 WeakPolarHBondContact O-CA 3.34Å; C330-S334 PolarHBondContact O-N 3.44Å; C330-V335 PolarHBondContact N-O 3.3Å; C330-L337 HydrophobicContact CB-CD1 4.47Å; C330-H347 VanDerWaalsContact CB-NE2 3.34Å; C330-H347 WeakPolarHBondContact CB-NE2 3.36Å; C330-H347 PolarHBondContact SG-NE2 3.14Å
331	K	57	Low	51.6	Low	174 Å²	174	89.8 Å²	89.8	76%	0.757	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.4	-179.3	-76	-178.7	176.6	174	0	113.4	S329 H378	S329-K331 PolarHBondContact O-N 3.02Å; K331-H378 PolarHBondContact N-O 2.86Å
332	A	60.7	Low	53	Low	45 Å²	45	87.3 Å²	87.3	37%	0.372	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-32.4	-174.9	0	0	0	0	0	114.8	C330 L360 H378	C330-A332 PolarHBondContact O-N 3.48Å; C330-A332 VanDerWaalsContact O-N 3.13Å; A332-L360 HydrophobicContact CB-CD1 3.33Å; A332-L360 HydrophobicContact CB-CD2 3.73Å; A332-L360 HydrophobicContact CB-CG 4.14Å; A332-H378 HydrophobicContact CB-CB 4.47Å
333	C	65.6	Low	54.5	Low	55 Å²	55	79.3 Å²	79.3	37%	0.372	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	5.1	-177.4	64.3	0	0	0	0	114.3	C330 V335 H347	C330-C333 PolarHBondContact O-N 2.87Å; C333-V335 HydrophobicContact CB-CG2 4.34Å; C333-V335 PolarHBondContact O-N 2.94Å; C333-V335 VanDerWaalsContact SG-CG2 3.57Å; C333-H347 PolarHBondContact SG-CE1 3.36Å; C333-H347 PolarHBondContact SG-NE2 3.28Å
334	S	60.1	Low	56	Low	101 Å²	101	72.8 Å²	72.8	71%	0.706	42%	0.419	S	S	*	.			trans	56.7	13.2	179.6	-52.4	0	0	0	0	115.4	C330 L336	C330-S334 WeakPolarHBondContact O-CA 3.34Å; C330-S334 PolarHBondContact O-N 3.44Å; S334-L336 PolarHBondContact O-N 3.05Å
335	V	69.1	Low	57.3	Low	66 Å²	66	71 Å²	71	40%	0.4	40%	0.397	S	S	.	.			trans	-68.9	130.4	176.2	173.5	0	0	0	0	109.6	C330 C333 L337	C330-V335 PolarHBondContact N-O 3.3Å; C333-V335 HydrophobicContact CB-CG2 4.34Å; C333-V335 PolarHBondContact O-N 2.94Å; C333-V335 VanDerWaalsContact SG-CG2 3.57Å; V335-L337 HydrophobicContact CG1-CD2 3.87Å; V335-L337 HydrophobicContact CG1-CG 4.45Å
336	L	58.8	Low	58.7	Low	108 Å²	108	71.1 Å²	71.1	57%	0.565	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.8	171.8	-66.3	166.2	0	0	0	109	Q327 L328 S334	Q327-L336 HydrophobicContact CB-CB 4.41Å; Q327-L336 HydrophobicContact CB-CD2 4.24Å; L328-L336 WeakPolarHBondContact O-CA 3.43Å; S334-L336 PolarHBondContact O-N 3.05Å
337	L	59.7	Low	59.9	Low	13 Å²	13	66.2 Å²	66.2	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.3	-177.8	-58.6	169.8	0	0	0	109.1	Q327 L328 C330 V335 H347 V379	Q327-L337 CarbonylContact C-O 3.58Å; Q327-L337 WeakPolarHBondContact CA-O 3.41Å; L328-L337 HydrophobicContact CB-CB 4.48Å; L328-L337 PolarHBondContact N-O 3.18Å; L328-L337 PolarHBondContact O-N 3Å; C330-L337 HydrophobicContact CB-CD1 4.47Å; V335-L337 HydrophobicContact CG1-CD2 3.87Å; V335-L337 HydrophobicContact CG1-CG 4.45Å; L337-H347 HydrophobicContact CD1-CB 3.87Å; L337-H347 VanDerWaalsContact CD1-CD2 3.42Å; L337-H347 WeakPolarHBondContact CD1-CD2 3.41Å; L337-H347 HydrophobicContact CD2-CB 3.74Å; L337-H347 HydrophobicContact CG-CB 4.46Å; L337-V379 HydrophobicContact CD1-CG1 3.66Å
338	P	56.2	Low	60.6	Low	72 Å²	72	60.3 Å²	60.3	47%	0.468	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	148.3	166.9	28.5	-33.9	0	0	0	109.8	N326 D340 A343	N326-P338 WeakPolarHBondContact O-CA 3.33Å; P338-D340 HydrophobicContact CG-CB 4.49Å; P338-D340 PolarHBondContact O-N 3.35Å; P338-A343 HydrophobicContact CG-CB 3.78Å
339	A	53.5	Low	61.3	Low	61 Å²	61	61.1 Å²	61.1	50%	0.504	35%	0.346	S	S	.	.	S	Bend	trans	-71.1	45.7	172.6	0	0	0	0	0	112.9	N326 L328	N326-A339 PolarHBondContact O-N 2.87Å; N326-A339 VanDerWaalsContact O-N 3.11Å; L328-A339 HydrophobicContact CD1-CB 4.49Å
340	D	54.8	Low	62.3	Low	62 Å²	62	60.9 Å²	60.9	33%	0.332	34%	0.344	S	S	.	.			trans	-102.5	118.8	173	160	30.8	0	0	0	108.5	P338 V342 A343 V344	P338-D340 HydrophobicContact CG-CB 4.49Å; P338-D340 PolarHBondContact O-N 3.35Å; D340-V342 PolarHBondContact O-N 3.15Å; D340-V342 VanDerWaalsContact O-N 3.15Å; D340-V342 WeakPolarHBondContact OD1-CB 3.39Å; D340-V342 PolarHBondContact OD1-N 3.25Å; D340-A343 HydrophobicContact CB-CB 3.92Å; D340-A343 PolarHBondContact O-N 3.49Å; D340-A343 VanDerWaalsContact O-N 3.08Å; D340-A343 VanDerWaalsContact OD2-CB 3.25Å; D340-A343 WeakPolarHBondContact OD2-CB 3.41Å; D340-A343 PolarHBondContact OD2-N 3.4Å; D340-V344 WeakPolarHBondContact O-CG2 3.16Å; D340-V344 PolarHBondContact O-N 2.8Å
341	P	52.2	Low	62.8	Low	53 Å²	53	61.5 Å²	61.5	34%	0.344	35%	0.346	S	S	.	.	H	α-helix	trans	-52	-35.6	177.7	-28.7	36.5	0	0	0	113.8	L312 V344 K345	L312-P341 HydrophobicContact CB-CB 4.35Å; L312-P341 HydrophobicContact CB-CG 4.02Å; L312-P341 HydrophobicContact CD1-CB 4.18Å; P341-V344 PolarHBondContact O-N 2.94Å; P341-K345 WeakPolarHBondContact O-CB 3.29Å; P341-K345 PolarHBondContact O-N 3.46Å
342	V	55.9	Low	63.6	Low	79 Å²	79	53.8 Å²	53.8	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-73.6	-38.2	-178.6	-164.6	0	0	0	0	110.8	D340 R346	D340-V342 PolarHBondContact O-N 3.15Å; D340-V342 VanDerWaalsContact O-N 3.15Å; D340-V342 WeakPolarHBondContact OD1-CB 3.39Å; D340-V342 PolarHBondContact OD1-N 3.25Å; V342-R346 WeakPolarHBondContact O-CB 3.43Å; V342-R346 PolarHBondContact O-N 3.38Å
343	A	62.8	Low	64	Low	13 Å²	13	53.9 Å²	53.9	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-40	170.2	0	0	0	0	0	112.7	P338 D340 H347	P338-A343 HydrophobicContact CG-CB 3.78Å; D340-A343 HydrophobicContact CB-CB 3.92Å; D340-A343 PolarHBondContact O-N 3.49Å; D340-A343 VanDerWaalsContact O-N 3.08Å; D340-A343 VanDerWaalsContact OD2-CB 3.25Å; D340-A343 WeakPolarHBondContact OD2-CB 3.41Å; D340-A343 PolarHBondContact OD2-N 3.4Å; A343-H347 VanDerWaalsContact O-CB 3.3Å; A343-H347 WeakPolarHBondContact O-CB 3.26Å; A343-H347 PolarHBondContact O-N 3.33Å
344	V	63.6	Low	64	Low	4 Å²	4	60.3 Å²	60.3	2%	0.024	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-47.2	177.3	172.2	0	0	0	0	111.2	L328 D340 P341 H347 A348 L376 V379	L328-V344 HydrophobicContact CD1-CG2 3.73Å; D340-V344 WeakPolarHBondContact O-CG2 3.16Å; D340-V344 PolarHBondContact O-N 2.8Å; P341-V344 PolarHBondContact O-N 2.94Å; V344-H347 PolarHBondContact O-N 3.25Å; V344-A348 WeakPolarHBondContact O-CB 3.36Å; V344-A348 PolarHBondContact O-N 3.06Å; V344-L376 HydrophobicContact CG1-CD2 3.82Å; V344-V379 HydrophobicContact CG1-CG1 3.94Å
345	K	63.4	Low	64.3	Low	72 Å²	72	62.6 Å²	62.6	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-47.4	175.3	-172.2	176.6	-178.3	177.8	0	111.7	E309 P341 H347 A348 E349 V372	E309-K345 IonicContact OE1-NZ 3.34Å; E309-K345 PolarHBondContact OE1-NZ 3.48Å; E309-K345 IonicContact OE2-NZ 3.51Å; E309-K345 PolarHBondContact OE2-NZ 3.3Å; P341-K345 WeakPolarHBondContact O-CB 3.29Å; P341-K345 PolarHBondContact O-N 3.46Å; K345-H347 VanDerWaalsContact C-N 3.29Å; K345-H347 PolarHBondContact O-N 2.88Å; K345-A348 WeakPolarHBondContact O-CB 3.17Å; K345-A348 PolarHBondContact O-N 3.42Å; K345-E349 PolarHBondContact O-N 3.19Å; K345-V372 HydrophobicContact CG-CG1 4.18Å
346	R	70.2	Confident	63.9	Low	145 Å²	145	60.2 Å²	60.2	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-34.1	175.7	-168.5	-172.1	-55.8	110.5	2	112.6	V342 S350	V342-R346 WeakPolarHBondContact O-CB 3.43Å; V342-R346 PolarHBondContact O-N 3.38Å; R346-S350 PolarHBondContact O-N 3.12Å
347	H	71.9	Confident	64.5	Low	24 Å²	24	58.1 Å²	58.1	11%	0.111	32%	0.315	C	S	.	.	H	α-helix	trans	-73.5	-40.8	174.2	-177.9	77.1	0	0	0	112.3	C330 C333 L337 A343 V344 K345 E349 S350 H351	C330-H347 VanDerWaalsContact CB-NE2 3.34Å; C330-H347 WeakPolarHBondContact CB-NE2 3.36Å; C330-H347 PolarHBondContact SG-NE2 3.14Å; C333-H347 PolarHBondContact SG-CE1 3.36Å; C333-H347 PolarHBondContact SG-NE2 3.28Å; L337-H347 HydrophobicContact CD1-CB 3.87Å; L337-H347 VanDerWaalsContact CD1-CD2 3.42Å; L337-H347 WeakPolarHBondContact CD1-CD2 3.41Å; L337-H347 HydrophobicContact CD2-CB 3.74Å; L337-H347 HydrophobicContact CG-CB 4.46Å; A343-H347 VanDerWaalsContact O-CB 3.3Å; A343-H347 WeakPolarHBondContact O-CB 3.26Å; A343-H347 PolarHBondContact O-N 3.33Å; V344-H347 PolarHBondContact O-N 3.25Å; K345-H347 VanDerWaalsContact C-N 3.29Å; K345-H347 PolarHBondContact O-N 2.88Å; H347-E349 VanDerWaalsContact C-N 3.26Å; H347-E349 PolarHBondContact O-N 3.37Å; H347-S350 WeakPolarHBondContact O-CB 3.44Å; H347-S350 PolarHBondContact O-N 2.95Å; H347-S350 PolarHBondContact O-OG 3.32Å; H347-H351 AromaticContact CD2-NE2 3.49Å; H347-H351 PolarHBondContact CD2-NE2 3.2Å; H347-H351 AromaticContact CE1-NE2 3.55Å; H347-H351 AromaticContact NE2-CD2 3.91Å; H347-H351 AromaticContact NE2-CE1 3.83Å; H347-H351 AromaticContact NE2-NE2 2.93Å; H347-H351 PolarHBondContact NE2-NE2 2.87Å; H347-H351 PolarHBondContact O-CD2 3.49Å; H347-H351 VanDerWaalsContact O-CD2 3.27Å
348	A	68.6	Low	65	Low	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-39.1	173.8	0	0	0	0	0	111.5	V344 K345 S350 H351 S375 L376 V379	V344-A348 WeakPolarHBondContact O-CB 3.36Å; V344-A348 PolarHBondContact O-N 3.06Å; K345-A348 WeakPolarHBondContact O-CB 3.17Å; K345-A348 PolarHBondContact O-N 3.42Å; A348-S350 VanDerWaalsContact C-N 3.29Å; A348-S350 PolarHBondContact O-N 3.31Å; A348-H351 PolarHBondContact O-N 3.22Å; A348-S375 VanDerWaalsContact C-OG 3.24Å; A348-S375 WeakPolarHBondContact CB-OG 3.39Å; A348-S375 VanDerWaalsContact O-CB 3.3Å; A348-S375 WeakPolarHBondContact O-CB 3.38Å; A348-S375 PolarHBondContact O-OG 3.06Å; A348-L376 HydrophobicContact CB-CD2 3.62Å; A348-L376 HydrophobicContact CB-CG 3.82Å; A348-V379 HydrophobicContact CB-CG2 4.11Å
349	E	71.9	Confident	65.6	Low	72 Å²	72	61.7 Å²	61.7	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-30.7	171.4	-78.4	177	-155	0	0	113.9	K345 H347 H351 L352 V372	K345-E349 PolarHBondContact O-N 3.19Å; H347-E349 VanDerWaalsContact C-N 3.26Å; H347-E349 PolarHBondContact O-N 3.37Å; E349-H351 PolarHBondContact O-N 3.26Å; E349-L352 WeakPolarHBondContact O-CB 3.39Å; E349-L352 PolarHBondContact O-N 3.31Å; E349-V372 HydrophobicContact CG-CG1 4.37Å; E349-V372 HydrophobicContact CG-CG2 3.49Å; E349-V372 VanDerWaalsContact CG-CG2 3.49Å
350	S	72.8	Confident	66.1	Low	58 Å²	58	62.2 Å²	62.2	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-21	177.8	78.8	0	0	0	0	113.4	R346 H347 A348 L352 R359	R346-S350 PolarHBondContact O-N 3.12Å; H347-S350 WeakPolarHBondContact O-CB 3.44Å; H347-S350 PolarHBondContact O-N 2.95Å; H347-S350 PolarHBondContact O-OG 3.32Å; A348-S350 VanDerWaalsContact C-N 3.29Å; A348-S350 PolarHBondContact O-N 3.31Å; S350-L352 VanDerWaalsContact C-N 3.26Å; S350-L352 PolarHBondContact O-N 3.11Å; S350-R359 PolarHBondContact O-NE 3.33Å
351	H	69.3	Low	66.4	Low	14 Å²	14	62.6 Å²	62.6	7%	0.065	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	3.8	172.7	-60.8	-64.4	0	0	0	113.5	H347 A348 E349 R359 L360	H347-H351 AromaticContact CD2-NE2 3.49Å; H347-H351 PolarHBondContact CD2-NE2 3.2Å; H347-H351 AromaticContact CE1-NE2 3.55Å; H347-H351 AromaticContact NE2-CD2 3.91Å; H347-H351 AromaticContact NE2-CE1 3.83Å; H347-H351 AromaticContact NE2-NE2 2.93Å; H347-H351 PolarHBondContact NE2-NE2 2.87Å; H347-H351 PolarHBondContact O-CD2 3.49Å; H347-H351 VanDerWaalsContact O-CD2 3.27Å; A348-H351 PolarHBondContact O-N 3.22Å; E349-H351 PolarHBondContact O-N 3.26Å; H351-R359 VanDerWaalsContact O-CB 3.31Å; H351-R359 WeakPolarHBondContact O-CB 3.12Å; H351-R359 VanDerWaalsContact O-CG 3.29Å; H351-R359 WeakPolarHBondContact O-CG 3.26Å; H351-R359 PolarHBondContact O-N 2.74Å; H351-L360 HydrophobicContact CB-CD1 3.95Å; H351-L360 HydrophobicContact CB-CG 4.21Å
352	L	74.6	Confident	66.9	Low	12 Å²	12	62.8 Å²	62.8	6%	0.063	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-102.8	144.8	175.1	-58.6	179.5	0	0	0	111.5	E349 S350 L357 C358 R359 A371 V372	E349-L352 WeakPolarHBondContact O-CB 3.39Å; E349-L352 PolarHBondContact O-N 3.31Å; S350-L352 VanDerWaalsContact C-N 3.26Å; S350-L352 PolarHBondContact O-N 3.11Å; L352-L357 WeakPolarHBondContact CA-O 3.43Å; L352-C358 HydrophobicContact CD2-CB 4.36Å; L352-R359 VanDerWaalsContact C-NE 3.34Å; L352-R359 VanDerWaalsContact O-CZ 3.25Å; L352-R359 PolarHBondContact O-NE 3.27Å; L352-R359 PolarHBondContact O-NH2 2.84Å; L352-A371 HydrophobicContact CD1-CB 3.69Å; L352-A371 HydrophobicContact CD2-CB 3.95Å; L352-A371 HydrophobicContact CG-CB 4.47Å; L352-V372 HydrophobicContact CD1-CG2 3.65Å
353	T	70	Confident	67.1	Low	47 Å²	47	60.6 Å²	60.6	29%	0.288	32%	0.321	S	S	.	.			trans	-79.4	164.4	168	60.2	0	0	0	0	110.6	L355 G356 L357 R359	T353-L355 PolarHBondContact O-N 3.22Å; T353-L355 VanDerWaalsContact O-N 3.1Å; T353-G356 PolarHBondContact O-N 3.42Å; T353-L357 HydrophobicContact CG2-CB 4.36Å; T353-L357 PolarHBondContact N-O 2.97Å; T353-L357 WeakPolarHBondContact OG1-CA 3.48Å; T353-L357 VanDerWaalsContact OG1-CB 3.25Å; T353-L357 WeakPolarHBondContact OG1-CB 3.37Å; T353-L357 PolarHBondContact OG1-N 3.16Å; T353-L357 PolarHBondContact OG1-O 3.14Å; T353-L357 VanDerWaalsContact OG1-O 3.13Å; T353-R359 HydrophobicContact CG2-CG 3.72Å
354	E	65.8	Low	67.1	Low	190 Å²	190	64.2 Å²	64.2	89%	0.888	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	175.7	-61.4	-175	166.3	0	0	113.1
355	L	65.6	Low	67.2	Low	150 Å²	150	66.8 Å²	66.8	79%	0.785	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	7.9	175.8	-58.1	177.6	0	0	0	113.7	T353 L357	T353-L355 PolarHBondContact O-N 3.22Å; T353-L355 VanDerWaalsContact O-N 3.1Å; L355-L357 VanDerWaalsContact C-N 3.32Å; L355-L357 HydrophobicContact CB-CG 4.39Å; L355-L357 PolarHBondContact O-N 3.05Å
356	G	60.9	Low	66.4	Low	15 Å²	15	69.5 Å²	69.5	16%	0.155	38%	0.381	C	S	.	.	S	Bend	trans	78.3	7.7	178.6	0	0	0	0	0	115.6	T353	T353-G356 PolarHBondContact O-N 3.42Å
357	L	71.8	Confident	65.9	Low	64 Å²	64	66.3 Å²	66.3	34%	0.335	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-80.5	138.9	175.3	-45.7	175.7	0	0	0	111.1	L352 T353 L355 R359 A363	L352-L357 WeakPolarHBondContact CA-O 3.43Å; T353-L357 HydrophobicContact CG2-CB 4.36Å; T353-L357 PolarHBondContact N-O 2.97Å; T353-L357 WeakPolarHBondContact OG1-CA 3.48Å; T353-L357 VanDerWaalsContact OG1-CB 3.25Å; T353-L357 WeakPolarHBondContact OG1-CB 3.37Å; T353-L357 PolarHBondContact OG1-N 3.16Å; T353-L357 PolarHBondContact OG1-O 3.14Å; T353-L357 VanDerWaalsContact OG1-O 3.13Å; L355-L357 VanDerWaalsContact C-N 3.32Å; L355-L357 HydrophobicContact CB-CG 4.39Å; L355-L357 PolarHBondContact O-N 3.05Å; L357-R359 PolarHBondContact O-N 2.88Å; L357-A363 WeakPolarHBondContact CA-O 3.46Å
358	C	70	Confident	65.5	Low	2 Å²	2	73.1 Å²	73.1	1%	0.014	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-72.5	122.4	171.8	-176.6	0	0	0	0	111.2	L352 L360 C361 G362 A363 F365	L352-C358 HydrophobicContact CD2-CB 4.36Å; C358-L360 PolarHBondContact O-N 3.06Å; C358-C361 VanDerWaalsContact CB-SG 3.59Å; C358-G362 WeakPolarHBondContact O-CA 3.45Å; C358-G362 PolarHBondContact O-N 3.07Å; C358-A363 PolarHBondContact N-O 2.99Å; C358-F365 HydrophobicContact CB-CE2 4.38Å
359	R	67.2	Low	65.1	Low	158 Å²	158	76.5 Å²	76.5	60%	0.596	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.3	-179.7	-63	178	-164.4	-150.2	4.7	113.7	S350 H351 L352 T353 L357	S350-R359 PolarHBondContact O-NE 3.33Å; H351-R359 VanDerWaalsContact O-CB 3.31Å; H351-R359 WeakPolarHBondContact O-CB 3.12Å; H351-R359 VanDerWaalsContact O-CG 3.29Å; H351-R359 WeakPolarHBondContact O-CG 3.26Å; H351-R359 PolarHBondContact O-N 2.74Å; L352-R359 VanDerWaalsContact C-NE 3.34Å; L352-R359 VanDerWaalsContact O-CZ 3.25Å; L352-R359 PolarHBondContact O-NE 3.27Å; L352-R359 PolarHBondContact O-NH2 2.84Å; T353-R359 HydrophobicContact CG2-CG 3.72Å; L357-R359 PolarHBondContact O-N 2.88Å
360	L	65.8	Low	64.5	Low	73 Å²	73	74.7 Å²	74.7	38%	0.382	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-34.5	-172.4	-58.7	175.8	0	0	0	113.1	A332 H351 C358 H378	A332-L360 HydrophobicContact CB-CD1 3.33Å; A332-L360 HydrophobicContact CB-CD2 3.73Å; A332-L360 HydrophobicContact CB-CG 4.14Å; H351-L360 HydrophobicContact CB-CD1 3.95Å; H351-L360 HydrophobicContact CB-CG 4.21Å; C358-L360 PolarHBondContact O-N 3.06Å; L360-H378 HydrophobicContact CD1-CB 3.56Å
361	C	59.7	Low	64	Low	70 Å²	70	72 Å²	72	47%	0.473	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-7	-177.8	69.8	0	0	0	0	113.9	C358 A363 H374	C358-C361 VanDerWaalsContact CB-SG 3.59Å; C361-A363 VanDerWaalsContact C-N 3.27Å; C361-A363 PolarHBondContact O-N 3.49Å; C361-A363 VanDerWaalsContact SG-CB 3.52Å; C361-A363 PolarHBondContact SG-N 3.41Å; C361-H374 PolarHBondContact SG-NE2 3.49Å
362	G	62.7	Low	63.7	Low	56 Å²	56	72 Å²	72	58%	0.577	41%	0.407	S	S	*	.			trans	78.3	-1.2	-178.7	0	0	0	0	0	115.6	C358	C358-G362 WeakPolarHBondContact O-CA 3.45Å; C358-G362 PolarHBondContact O-N 3.07Å
363	A	61.7	Low	63.2	Low	33 Å²	33	74.5 Å²	74.5	27%	0.273	43%	0.43	S	S	.	.			trans	-64.8	136.9	-175.6	0	0	0	0	0	112.9	L357 C358 C361 F365	L357-A363 WeakPolarHBondContact CA-O 3.46Å; C358-A363 PolarHBondContact N-O 2.99Å; C361-A363 VanDerWaalsContact C-N 3.27Å; C361-A363 PolarHBondContact O-N 3.49Å; C361-A363 VanDerWaalsContact SG-CB 3.52Å; C361-A363 PolarHBondContact SG-N 3.41Å; A363-F365 HydrophobicContact CB-CE2 3.59Å; A363-F365 HydrophobicContact CB-CZ 3.55Å; A363-F365 WeakPolarHBondContact O-CE2 3.42Å
364	S	62.5	Low	63	Low	89 Å²	89	74.5 Å²	74.5	62%	0.622	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-101.4	136.2	175.9	61.3	0	0	0	0	111.3
365	F	65.2	Low	62.9	Low	58 Å²	58	65.4 Å²	65.4	25%	0.254	38%	0.384	S	S	.	.			trans	-120.9	147.7	-179.1	-60.9	-82.4	0	0	0	111.3	C358 A363 D367 A370 A371 H374	C358-F365 HydrophobicContact CB-CE2 4.38Å; A363-F365 HydrophobicContact CB-CE2 3.59Å; A363-F365 HydrophobicContact CB-CZ 3.55Å; A363-F365 WeakPolarHBondContact O-CE2 3.42Å; F365-D367 VanDerWaalsContact C-N 3.26Å; F365-D367 PolarHBondContact O-N 2.88Å; F365-A370 HydrophobicContact CB-CB 4.35Å; F365-A370 HydrophobicContact CD1-CB 4.41Å; F365-A371 HydrophobicContact CB-CB 3.97Å; F365-A371 HydrophobicContact CD2-CB 3.84Å; F365-A371 HydrophobicContact CG-CB 4.12Å; F365-H374 HydrophobicContact CE1-CB 3.88Å; F365-H374 AromaticContact CE1-CG 3.96Å; F365-H374 HydrophobicContact CE2-CB 3.96Å; F365-H374 AromaticContact CE2-CD2 3.35Å; F365-H374 WeakPolarHBondContact CE2-CD2 3.39Å; F365-H374 AromaticContact CE2-CG 3.67Å; F365-H374 HydrophobicContact CZ-CB 3.54Å; F365-H374 AromaticContact CZ-CD2 3.32Å; F365-H374 WeakPolarHBondContact CZ-CD2 3.5Å; F365-H374 AromaticContact CZ-CG 3.19Å; F365-H374 AromaticContact CZ-ND1 3.69Å; F365-H374 AromaticContact CZ-NE2 3.86Å
366	P	46.9	Very low	63	Low	129 Å²	129	60.3 Å²	60.3	84%	0.838	36%	0.357	S	S	*	.	S	Bend	trans	-70.7	-23.1	-177.3	29.4	-35.4	0	0	0	112.8
367	D	58.9	Low	62.8	Low	79 Å²	79	62 Å²	62	42%	0.422	37%	0.367	S	S	.	.	S	Bend	trans	-140.7	158	179.3	74.3	-79	0	0	0	111.5	F365 A369 A370 A371	F365-D367 VanDerWaalsContact C-N 3.26Å; F365-D367 PolarHBondContact O-N 2.88Å; D367-A369 VanDerWaalsContact C-N 3.34Å; D367-A369 PolarHBondContact O-N 3.16Å; D367-A369 WeakPolarHBondContact OD2-CA 3.26Å; D367-A369 WeakPolarHBondContact OD2-CB 3.44Å; D367-A369 PolarHBondContact OD2-N 3.31Å; D367-A370 WeakPolarHBondContact OD1-CB 3.48Å; D367-A370 PolarHBondContact OD2-N 3.43Å; D367-A371 PolarHBondContact O-N 3.19Å
368	R	63.5	Low	62.1	Low	166 Å²	166	61.1 Å²	61.1	63%	0.626	36%	0.361	S	S	*	.	H	α-helix	trans	-72.5	-24.9	-175.6	-170.5	169.7	174.2	145.4	-3.7	112.9	V372	R368-V372 VanDerWaalsContact O-CG2 3.32Å; R368-V372 WeakPolarHBondContact O-CG2 3.26Å; R368-V372 PolarHBondContact O-N 3.1Å; R368-V372 VanDerWaalsContact O-N 3.11Å
369	A	60	Low	61.6	Low	72 Å²	72	61.1 Å²	61.1	60%	0.595	36%	0.361	S	S	*	.	H	α-helix	trans	-74.8	-41.6	179	0	0	0	0	0	111.1	D367 A371 V372 A373	D367-A369 VanDerWaalsContact C-N 3.34Å; D367-A369 PolarHBondContact O-N 3.16Å; D367-A369 WeakPolarHBondContact OD2-CA 3.26Å; D367-A369 WeakPolarHBondContact OD2-CB 3.44Å; D367-A369 PolarHBondContact OD2-N 3.31Å; A369-A371 VanDerWaalsContact C-N 3.31Å; A369-A371 PolarHBondContact O-N 3.19Å; A369-V372 PolarHBondContact O-N 3.44Å; A369-A373 WeakPolarHBondContact O-CB 3.48Å; A369-A373 PolarHBondContact O-N 3.38Å
370	A	58.8	Low	60.9	Low	34 Å²	34	55.6 Å²	55.6	28%	0.281	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-39.1	170.6	0	0	0	0	0	112.2	F365 D367 V372 A373 H374	F365-A370 HydrophobicContact CB-CB 4.35Å; F365-A370 HydrophobicContact CD1-CB 4.41Å; D367-A370 WeakPolarHBondContact OD1-CB 3.48Å; D367-A370 PolarHBondContact OD2-N 3.43Å; A370-V372 PolarHBondContact O-N 3.03Å; A370-A373 PolarHBondContact O-N 3.48Å; A370-H374 WeakPolarHBondContact O-CB 3.4Å; A370-H374 PolarHBondContact O-N 3.35Å
371	A	62.3	Low	60.2	Low	0 Å²	0	53.8 Å²	53.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-42.1	174.3	0	0	0	0	0	112.5	L352 F365 D367 A369 H374 S375	L352-A371 HydrophobicContact CD1-CB 3.69Å; L352-A371 HydrophobicContact CD2-CB 3.95Å; L352-A371 HydrophobicContact CG-CB 4.47Å; F365-A371 HydrophobicContact CB-CB 3.97Å; F365-A371 HydrophobicContact CD2-CB 3.84Å; F365-A371 HydrophobicContact CG-CB 4.12Å; D367-A371 PolarHBondContact O-N 3.19Å; A369-A371 VanDerWaalsContact C-N 3.31Å; A369-A371 PolarHBondContact O-N 3.19Å; A371-H374 PolarHBondContact O-N 3.15Å; A371-S375 PolarHBondContact O-N 3.42Å; A371-S375 PolarHBondContact O-OG 3.36Å
372	V	63.8	Low	59.6	Low	14 Å²	14	57.8 Å²	57.8	9%	0.085	35%	0.35	C	S	.	.	H	α-helix	trans	-68.9	-43.4	176.9	172.7	0	0	0	0	111.6	K345 E349 L352 R368 A369 A370 H374 S375 L376	K345-V372 HydrophobicContact CG-CG1 4.18Å; E349-V372 HydrophobicContact CG-CG1 4.37Å; E349-V372 HydrophobicContact CG-CG2 3.49Å; E349-V372 VanDerWaalsContact CG-CG2 3.49Å; L352-V372 HydrophobicContact CD1-CG2 3.65Å; R368-V372 VanDerWaalsContact O-CG2 3.32Å; R368-V372 WeakPolarHBondContact O-CG2 3.26Å; R368-V372 PolarHBondContact O-N 3.1Å; R368-V372 VanDerWaalsContact O-N 3.11Å; A369-V372 PolarHBondContact O-N 3.44Å; A370-V372 PolarHBondContact O-N 3.03Å; V372-H374 VanDerWaalsContact C-N 3.27Å; V372-H374 PolarHBondContact O-N 3.2Å; V372-S375 PolarHBondContact O-N 3.28Å; V372-S375 PolarHBondContact O-OG 3.47Å; V372-S375 VanDerWaalsContact O-OG 3.1Å; V372-L376 HydrophobicContact CG1-CD1 4.46Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 2.99Å
373	A	63.6	Low	59.2	Low	65 Å²	65	57.8 Å²	57.8	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-39.8	174.8	0	0	0	0	0	111.7	A369 A370	A369-A373 WeakPolarHBondContact O-CB 3.48Å; A369-A373 PolarHBondContact O-N 3.38Å; A370-A373 PolarHBondContact O-N 3.48Å
374	H	65.7	Low	59.2	Low	47 Å²	47	59.1 Å²	59.1	22%	0.218	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-45.1	172.7	169.8	71.9	0	0	0	112.4	C361 F365 A370 A371 V372 L376 S377 H378	C361-H374 PolarHBondContact SG-NE2 3.49Å; F365-H374 HydrophobicContact CE1-CB 3.88Å; F365-H374 AromaticContact CE1-CG 3.96Å; F365-H374 HydrophobicContact CE2-CB 3.96Å; F365-H374 AromaticContact CE2-CD2 3.35Å; F365-H374 WeakPolarHBondContact CE2-CD2 3.39Å; F365-H374 AromaticContact CE2-CG 3.67Å; F365-H374 HydrophobicContact CZ-CB 3.54Å; F365-H374 AromaticContact CZ-CD2 3.32Å; F365-H374 WeakPolarHBondContact CZ-CD2 3.5Å; F365-H374 AromaticContact CZ-CG 3.19Å; F365-H374 AromaticContact CZ-ND1 3.69Å; F365-H374 AromaticContact CZ-NE2 3.86Å; A370-H374 WeakPolarHBondContact O-CB 3.4Å; A370-H374 PolarHBondContact O-N 3.35Å; A371-H374 PolarHBondContact O-N 3.15Å; V372-H374 VanDerWaalsContact C-N 3.27Å; V372-H374 PolarHBondContact O-N 3.2Å; H374-L376 PolarHBondContact O-N 3.05Å; H374-S377 VanDerWaalsContact O-CB 3.3Å; H374-S377 WeakPolarHBondContact O-CB 3.45Å; H374-S377 PolarHBondContact O-N 3.19Å; H374-S377 PolarHBondContact O-OG 3.49Å; H374-H378 AromaticContact CE1-NE2 3.85Å; H374-H378 AromaticContact NE2-NE2 3.51Å
375	S	64.7	Low	59.1	Low	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.5	-23.4	-179	66.2	0	0	0	0	113.4	A348 A371 V372 S377 H378 V379	A348-S375 VanDerWaalsContact C-OG 3.24Å; A348-S375 WeakPolarHBondContact CB-OG 3.39Å; A348-S375 VanDerWaalsContact O-CB 3.3Å; A348-S375 WeakPolarHBondContact O-CB 3.38Å; A348-S375 PolarHBondContact O-OG 3.06Å; A371-S375 PolarHBondContact O-N 3.42Å; A371-S375 PolarHBondContact O-OG 3.36Å; V372-S375 PolarHBondContact O-N 3.28Å; V372-S375 PolarHBondContact O-OG 3.47Å; V372-S375 VanDerWaalsContact O-OG 3.1Å; S375-S377 PolarHBondContact O-N 3.48Å; S375-H378 WeakPolarHBondContact O-CB 3.36Å; S375-H378 PolarHBondContact O-N 2.86Å; S375-H378 VanDerWaalsContact O-N 3.07Å; S375-V379 PolarHBondContact O-N 3.17Å
376	L	66.6	Low	59.6	Low	42 Å²	42	54.8 Å²	54.8	22%	0.22	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.4	167.9	-72.1	166.8	0	0	0	113.7	V344 A348 V372 H374 H378 V379 V381	V344-L376 HydrophobicContact CG1-CD2 3.82Å; A348-L376 HydrophobicContact CB-CD2 3.62Å; A348-L376 HydrophobicContact CB-CG 3.82Å; V372-L376 HydrophobicContact CG1-CD1 4.46Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 2.99Å; H374-L376 PolarHBondContact O-N 3.05Å; L376-H378 PolarHBondContact O-N 3.43Å; L376-V379 CarbonylContact O-C 3.59Å; L376-V379 PolarHBondContact O-N 3.11Å; L376-V381 HydrophobicContact CD2-CG2 4.43Å
377	S	57.3	Low	61.1	Low	51 Å²	51	51.6 Å²	51.6	36%	0.357	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.3	170	71.4	0	0	0	0	113	H374 S375	H374-S377 VanDerWaalsContact O-CB 3.3Å; H374-S377 WeakPolarHBondContact O-CB 3.45Å; H374-S377 PolarHBondContact O-N 3.19Å; H374-S377 PolarHBondContact O-OG 3.49Å; S375-S377 PolarHBondContact O-N 3.48Å
378	H	57.8	Low	62.1	Low	45 Å²	45	47.8 Å²	47.8	21%	0.208	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.6	177.2	-57.7	-49.1	0	0	0	113.2	K331 A332 L360 H374 S375 L376	K331-H378 PolarHBondContact N-O 2.86Å; A332-H378 HydrophobicContact CB-CB 4.47Å; L360-H378 HydrophobicContact CD1-CB 3.56Å; H374-H378 AromaticContact CE1-NE2 3.85Å; H374-H378 AromaticContact NE2-NE2 3.51Å; S375-H378 WeakPolarHBondContact O-CB 3.36Å; S375-H378 PolarHBondContact O-N 2.86Å; S375-H378 VanDerWaalsContact O-N 3.07Å; L376-H378 PolarHBondContact O-N 3.43Å
379	V	58.5	Low	62.6	Low	2 Å²	2	40.5 Å²	40.5	1%	0.012	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-108.8	103.8	179.3	-172.2	0	0	0	0	107.8	L337 V344 A348 S375 L376 V381	L337-V379 HydrophobicContact CD1-CG1 3.66Å; V344-V379 HydrophobicContact CG1-CG1 3.94Å; A348-V379 HydrophobicContact CB-CG2 4.11Å; S375-V379 PolarHBondContact O-N 3.17Å; L376-V379 CarbonylContact O-C 3.59Å; L376-V379 PolarHBondContact O-N 3.11Å; V379-V381 PolarHBondContact O-N 3.13Å
380	S	52.3	Low	63.4	Low	43 Å²	43	43.4 Å²	43.4	30%	0.301	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	83.8	-159	57.4	0	0	0	0	116.8	S329	S329-S380 PolarHBondContact O-OG 3.04Å
381	V	50.8	Low	63.8	Low	35 Å²	35	46 Å²	46	21%	0.212	24%	0.243	C	C	.	.			trans	-86.8	146.6	158.2	175.8	0	0	0	0	108.3	L312 L376 V379 L383	L312-V381 HydrophobicContact CD2-CG1 3.85Å; L312-V381 HydrophobicContact CD2-CG2 4.5Å; L376-V381 HydrophobicContact CD2-CG2 4.43Å; V379-V381 PolarHBondContact O-N 3.13Å; V381-L383 PolarHBondContact O-N 3.16Å
382	Q	47.1	Very low	63.7	Low	154 Å²	154	52.1 Å²	52.1	72%	0.72	27%	0.272	S	S	*	.			trans	-73	110.2	174.6	-174.1	170.9	2.7	0	0	109.8
383	L	54.9	Low	63.3	Low	56 Å²	56	53.1 Å²	53.1	29%	0.293	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-91.3	134.7	179	-60.8	176.4	0	0	0	110.6	V381 E392	V381-L383 PolarHBondContact O-N 3.16Å; L383-E392 HydrophobicContact CB-CB 4.15Å; L383-E392 HydrophobicContact CB-CG 4.45Å; L383-E392 HydrophobicContact CD1-CB 4.15Å; L383-E392 VanDerWaalsContact CD1-OE2 3.29Å; L383-E392 WeakPolarHBondContact CD1-OE2 3.47Å
384	F	61.2	Low	62.8	Low	61 Å²	61	53.4 Å²	53.4	27%	0.268	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.4	176.2	-63.2	-94.2	0	0	0	108.8	F393 Q396 L399	F384-F393 PolarHBondContact N-O 3.19Å; F384-F393 WeakPolarHBondContact O-CD2 3.48Å; F384-F393 PolarHBondContact O-N 3.17Å; F384-Q396 HydrophobicContact CD1-CB 3.98Å; F384-Q396 HydrophobicContact CD1-CG 4.25Å; F384-Q396 HydrophobicContact CE1-CB 3.72Å; F384-Q396 HydrophobicContact CE1-CG 4.1Å; F384-Q396 HydrophobicContact CE2-CB 4.36Å; F384-Q396 HydrophobicContact CG-CB 4.4Å; F384-Q396 HydrophobicContact CZ-CB 3.92Å; F384-L399 HydrophobicContact CB-CB 4.21Å; F384-L399 HydrophobicContact CB-CD2 3.83Å
385	S	62.4	Low	62.3	Low	54 Å²	54	52.7 Å²	52.7	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.3	-177.9	65	0	0	0	0	112.5	E387 Q391	S385-E387 PolarHBondContact O-N 2.87Å; S385-Q391 CarbonylContact C-O 3.58Å; S385-Q391 WeakPolarHBondContact CA-O 3.22Å
386	C	74.9	Confident	61.9	Low	2 Å²	2	56.2 Å²	56.2	1%	0.014	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.8	124.7	168.3	176.5	0	0	0	0	110.3	M388 C389 R390 Q391 F393 L399	C386-M388 VanDerWaalsContact C-N 3.25Å; C386-M388 PolarHBondContact O-N 2.82Å; C386-C389 VanDerWaalsContact CB-SG 3.51Å; C386-R390 WeakPolarHBondContact O-CA 3.39Å; C386-R390 PolarHBondContact O-N 2.66Å; C386-Q391 PolarHBondContact N-O 3.38Å; C386-F393 HydrophobicContact CB-CE2 4.06Å; C386-L399 HydrophobicContact CB-CD1 3.56Å
387	E	77.9	Confident	61.3	Low	61 Å²	61	58 Å²	58	29%	0.285	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.4	-177.1	-61	-161.8	131.1	0	0	113.2	S385 F439 R443 C490 C491	S385-E387 PolarHBondContact O-N 2.87Å; E387-F439 HydrophobicContact CB-CD1 4.28Å; E387-F439 HydrophobicContact CB-CE1 3.74Å; E387-R443 WeakPolarHBondContact O-CD 3.37Å; E387-R443 PolarHBondContact O-NE 3.49Å; E387-R443 VanDerWaalsContact O-NE 3.11Å; E387-C490 WeakPolarHBondContact OE2-CA 3.44Å; E387-C491 PolarHBondContact OE2-N 2.91Å
388	M	79.8	Confident	61.2	Low	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-58.7	-179.1	-163.6	64.5	80	0	0	112.1	C386 F439 R443 L446 L471 W472	C386-M388 VanDerWaalsContact C-N 3.25Å; C386-M388 PolarHBondContact O-N 2.82Å; M388-F439 HydrophobicContact CE-CE2 4.19Å; M388-F439 HydrophobicContact CE-CZ 3.83Å; M388-F439 HydrophobicContact SD-CZ 4.07Å; M388-R443 PolarHBondContact O-NE 3.37Å; M388-L446 HydrophobicContact SD-CD1 4.14Å; M388-L471 HydrophobicContact CG-CB 3.62Å; M388-L471 HydrophobicContact CG-CD1 3.8Å; M388-L471 HydrophobicContact CG-CG 4.37Å; M388-L471 VanDerWaalsContact O-CD1 3.31Å; M388-L471 WeakPolarHBondContact O-CD1 3.49Å; M388-L471 HydrophobicContact SD-CB 3.56Å; M388-L471 VanDerWaalsContact SD-CB 3.56Å; M388-L471 HydrophobicContact SD-CD1 3.98Å; M388-L471 HydrophobicContact SD-CG 4.34Å; M388-W472 HydrophobicContact CE-CD2 4.13Å; M388-W472 HydrophobicContact CE-CE3 4.47Å; M388-W472 HydrophobicContact CE-CH2 4.05Å; M388-W472 HydrophobicContact CE-CZ2 3.69Å; M388-W472 HydrophobicContact CE-CZ3 4.44Å
389	C	75.1	Confident	61.8	Low	12 Å²	12	58.1 Å²	58.1	8%	0.081	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.4	-175.3	69.8	0	0	0	0	114.8	C386 Q391 H402 L467 C468	C386-C389 VanDerWaalsContact CB-SG 3.51Å; C389-Q391 HydrophobicContact CB-CG 4.43Å; C389-Q391 PolarHBondContact O-N 3.37Å; C389-H402 PolarHBondContact SG-NE2 2.67Å; C389-L467 HydrophobicContact CB-CB 4.47Å; C389-C468 HydrophobicContact CB-CB 3.72Å
390	R	76.1	Confident	62.1	Low	134 Å²	134	60.4 Å²	60.4	51%	0.506	31%	0.311	S	S	.	.			trans	57.1	19.4	-174.5	-59.5	-66.8	-169.8	126.9	3.1	115.1	C386 R443	C386-R390 WeakPolarHBondContact O-CA 3.39Å; C386-R390 PolarHBondContact O-N 2.66Å; R390-R443 VanDerWaalsContact CG-NH2 3.34Å
391	Q	67.4	Low	62.6	Low	89 Å²	89	65.3 Å²	65.3	42%	0.416	32%	0.323	S	S	.	.			trans	-69.1	141.8	167.6	-68.1	-179	-2.8	0	0	110.4	S385 C386 C389 F393 H402	S385-Q391 CarbonylContact C-O 3.58Å; S385-Q391 WeakPolarHBondContact CA-O 3.22Å; C386-Q391 PolarHBondContact N-O 3.38Å; C389-Q391 HydrophobicContact CB-CG 4.43Å; C389-Q391 PolarHBondContact O-N 3.37Å; Q391-F393 HydrophobicContact CB-CE2 3.84Å; Q391-F393 HydrophobicContact CB-CZ 3.94Å; Q391-F393 WeakPolarHBondContact O-CE2 3.46Å; Q391-H402 PolarHBondContact OE1-CE1 3.5Å; Q391-H402 VanDerWaalsContact OE1-CE1 3.26Å
392	E	60.2	Low	63.6	Low	128 Å²	128	65 Å²	65	60%	0.598	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.8	-178.4	-68.7	-179.2	156.3	0	0	110.9	L383	L383-E392 HydrophobicContact CB-CB 4.15Å; L383-E392 HydrophobicContact CB-CG 4.45Å; L383-E392 HydrophobicContact CD1-CB 4.15Å; L383-E392 VanDerWaalsContact CD1-OE2 3.29Å; L383-E392 WeakPolarHBondContact CD1-OE2 3.47Å
393	F	55.1	Low	64.7	Low	34 Å²	34	58.3 Å²	58.3	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.2	-176.3	-61.1	-88.3	0	0	0	110.5	F384 C386 Q391 S395 K398 L399 H402	F384-F393 PolarHBondContact N-O 3.19Å; F384-F393 WeakPolarHBondContact O-CD2 3.48Å; F384-F393 PolarHBondContact O-N 3.17Å; C386-F393 HydrophobicContact CB-CE2 4.06Å; Q391-F393 HydrophobicContact CB-CE2 3.84Å; Q391-F393 HydrophobicContact CB-CZ 3.94Å; Q391-F393 WeakPolarHBondContact O-CE2 3.46Å; F393-S395 PolarHBondContact O-N 3.26Å; F393-K398 HydrophobicContact CB-CB 4.4Å; F393-K398 HydrophobicContact CD1-CB 4.25Å; F393-L399 HydrophobicContact CB-CB 4.11Å; F393-L399 HydrophobicContact CD2-CB 3.87Å; F393-L399 HydrophobicContact CD2-CD1 3.74Å; F393-L399 HydrophobicContact CD2-CG 4.38Å; F393-L399 HydrophobicContact CE2-CD1 3.85Å; F393-L399 HydrophobicContact CG-CB 4.05Å; F393-H402 HydrophobicContact CE1-CB 3.75Å; F393-H402 AromaticContact CE1-CG 3.92Å; F393-H402 HydrophobicContact CE2-CB 4.4Å; F393-H402 AromaticContact CE2-CD2 3.97Å; F393-H402 HydrophobicContact CZ-CB 3.62Å; F393-H402 AromaticContact CZ-CD2 3.55Å; F393-H402 AromaticContact CZ-CG 3.34Å; F393-H402 AromaticContact CZ-ND1 3.7Å
394	C	52.6	Low	65.5	Low	71 Å²	71	60.3 Å²	60.3	48%	0.48	30%	0.295	S	S	.	.	S	Bend	trans	-76.2	-6.3	179.8	70.4	0	0	0	0	114.3	K398	C394-K398 PolarHBondContact SG-NZ 3.14Å
395	S	54.7	Low	65.9	Low	32 Å²	32	63.7 Å²	63.7	22%	0.224	31%	0.312	C	S	.	.	S	Bend	trans	-153.7	153	173.2	71.6	0	0	0	0	112.3	F393 S397 K398 L399	F393-S395 PolarHBondContact O-N 3.26Å; S395-S397 VanDerWaalsContact C-N 3.34Å; S395-S397 PolarHBondContact O-N 3.26Å; S395-K398 PolarHBondContact O-N 2.56Å; S395-K398 WeakPolarHBondContact OG-CG 3.25Å; S395-L399 PolarHBondContact O-N 3.34Å
396	Q	57.8	Low	66.3	Low	75 Å²	75	61.6 Å²	61.6	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-43	-179.8	-168.2	165.7	-8.2	0	0	111.8	F384 K398 L399 L400 H487	F384-Q396 HydrophobicContact CD1-CB 3.98Å; F384-Q396 HydrophobicContact CD1-CG 4.25Å; F384-Q396 HydrophobicContact CE1-CB 3.72Å; F384-Q396 HydrophobicContact CE1-CG 4.1Å; F384-Q396 HydrophobicContact CE2-CB 4.36Å; F384-Q396 HydrophobicContact CG-CB 4.4Å; F384-Q396 HydrophobicContact CZ-CB 3.92Å; Q396-K398 VanDerWaalsContact C-N 3.29Å; Q396-K398 PolarHBondContact O-N 3.13Å; Q396-L399 WeakPolarHBondContact O-CB 3.49Å; Q396-L399 PolarHBondContact O-N 3.39Å; Q396-L399 VanDerWaalsContact O-N 3.16Å; Q396-L400 HydrophobicContact CG-CD1 4.47Å; Q396-L400 WeakPolarHBondContact O-CG 3.39Å; Q396-L400 PolarHBondContact O-N 2.84Å; Q396-H487 PolarHBondContact NE2-O 3.43Å
397	S	53.7	Low	66.1	Low	79 Å²	79	62.3 Å²	62.3	55%	0.552	30%	0.302	S	S	*	.	H	α-helix	trans	-63	-31.7	178.4	-41.7	0	0	0	0	113.1	S395 R401	S395-S397 VanDerWaalsContact C-N 3.34Å; S395-S397 PolarHBondContact O-N 3.26Å; S397-R401 WeakPolarHBondContact O-CB 3.36Å; S397-R401 PolarHBondContact O-N 2.91Å
398	K	56	Low	65.5	Low	92 Å²	92	62.8 Å²	62.8	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-72.6	-40.2	174.4	-74	172.2	-178.6	172.3	0	111.5	F393 C394 S395 Q396 R401 H402	F393-K398 HydrophobicContact CB-CB 4.4Å; F393-K398 HydrophobicContact CD1-CB 4.25Å; C394-K398 PolarHBondContact SG-NZ 3.14Å; S395-K398 PolarHBondContact O-N 2.56Å; S395-K398 WeakPolarHBondContact OG-CG 3.25Å; Q396-K398 VanDerWaalsContact C-N 3.29Å; Q396-K398 PolarHBondContact O-N 3.13Å; K398-R401 PolarHBondContact O-N 3.34Å; K398-H402 PolarHBondContact O-N 3.35Å
399	L	69.4	Low	64.5	Low	6 Å²	6	67.3 Å²	67.3	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-48.9	171.3	168.3	60.7	0	0	0	111.4	F384 C386 F393 S395 Q396 R401 H402 H403 A489	F384-L399 HydrophobicContact CB-CB 4.21Å; F384-L399 HydrophobicContact CB-CD2 3.83Å; C386-L399 HydrophobicContact CB-CD1 3.56Å; F393-L399 HydrophobicContact CB-CB 4.11Å; F393-L399 HydrophobicContact CD2-CB 3.87Å; F393-L399 HydrophobicContact CD2-CD1 3.74Å; F393-L399 HydrophobicContact CD2-CG 4.38Å; F393-L399 HydrophobicContact CE2-CD1 3.85Å; F393-L399 HydrophobicContact CG-CB 4.05Å; S395-L399 PolarHBondContact O-N 3.34Å; Q396-L399 WeakPolarHBondContact O-CB 3.49Å; Q396-L399 PolarHBondContact O-N 3.39Å; Q396-L399 VanDerWaalsContact O-N 3.16Å; L399-R401 VanDerWaalsContact C-N 3.34Å; L399-R401 PolarHBondContact O-N 2.85Å; L399-H402 PolarHBondContact O-N 3.43Å; L399-H403 WeakPolarHBondContact O-CB 3.47Å; L399-H403 PolarHBondContact O-N 2.77Å; L399-A489 HydrophobicContact CG-CB 4.3Å
400	L	64.6	Low	63.8	Low	51 Å²	51	68.7 Å²	68.7	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-43.3	179.2	-69.7	176.8	0	0	0	111.8	Q396 H403 H404 P486 A489	Q396-L400 HydrophobicContact CG-CD1 4.47Å; Q396-L400 WeakPolarHBondContact O-CG 3.39Å; Q396-L400 PolarHBondContact O-N 2.84Å; L400-H403 PolarHBondContact O-N 3.49Å; L400-H404 WeakPolarHBondContact O-CB 3.44Å; L400-H404 PolarHBondContact O-N 3.01Å; L400-P486 WeakPolarHBondContact CD2-O 3.5Å; L400-A489 HydrophobicContact CD2-CB 4.05Å
401	R	64	Low	62.7	Low	146 Å²	146	67.5 Å²	67.5	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-62.4	-45.3	176.5	-169.5	-175.4	-60.4	164.6	2	112.4	S397 K398 L399 H404 Q405	S397-R401 WeakPolarHBondContact O-CB 3.36Å; S397-R401 PolarHBondContact O-N 2.91Å; K398-R401 PolarHBondContact O-N 3.34Å; L399-R401 VanDerWaalsContact C-N 3.34Å; L399-R401 PolarHBondContact O-N 2.85Å; R401-H404 PolarHBondContact O-N 3.38Å; R401-Q405 WeakPolarHBondContact O-CB 3.43Å; R401-Q405 VanDerWaalsContact O-CG 3.26Å; R401-Q405 WeakPolarHBondContact O-CG 3.46Å; R401-Q405 PolarHBondContact O-N 3.37Å
402	H	70.2	Confident	62	Low	27 Å²	27	67 Å²	67	13%	0.125	36%	0.36	C	S	.	.	H	α-helix	trans	-60	-46.5	174.6	170.5	86.4	0	0	0	111.6	C389 Q391 F393 K398 L399 T406	C389-H402 PolarHBondContact SG-NE2 2.67Å; Q391-H402 PolarHBondContact OE1-CE1 3.5Å; Q391-H402 VanDerWaalsContact OE1-CE1 3.26Å; F393-H402 HydrophobicContact CE1-CB 3.75Å; F393-H402 AromaticContact CE1-CG 3.92Å; F393-H402 HydrophobicContact CE2-CB 4.4Å; F393-H402 AromaticContact CE2-CD2 3.97Å; F393-H402 HydrophobicContact CZ-CB 3.62Å; F393-H402 AromaticContact CZ-CD2 3.55Å; F393-H402 AromaticContact CZ-CG 3.34Å; F393-H402 AromaticContact CZ-ND1 3.7Å; K398-H402 PolarHBondContact O-N 3.35Å; L399-H402 PolarHBondContact O-N 3.43Å; H402-T406 WeakPolarHBondContact O-CB 3.33Å; H402-T406 WeakPolarHBondContact O-CG2 3.5Å; H402-T406 PolarHBondContact O-N 2.93Å; H402-T406 VanDerWaalsContact O-N 3.14Å; H402-T406 PolarHBondContact O-OG1 3.5Å
403	H	71.6	Confident	61.2	Low	15 Å²	15	63.7 Å²	63.7	7%	0.069	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-50.3	178.4	-176	-84.6	0	0	0	111.3	L399 L400 Q405 T406 A407 W472 A489	L399-H403 WeakPolarHBondContact O-CB 3.47Å; L399-H403 PolarHBondContact O-N 2.77Å; L400-H403 PolarHBondContact O-N 3.49Å; H403-Q405 PolarHBondContact O-N 3.39Å; H403-T406 PolarHBondContact O-N 2.85Å; H403-T406 VanDerWaalsContact O-N 3.16Å; H403-T406 PolarHBondContact O-OG1 3Å; H403-T406 VanDerWaalsContact O-OG1 3.11Å; H403-A407 VanDerWaalsContact O-CB 3.26Å; H403-A407 WeakPolarHBondContact O-CB 3.45Å; H403-A407 PolarHBondContact O-N 3.23Å; H403-W472 AromaticContact CE1-CZ2 4Å; H403-W472 AromaticContact NE2-CZ2 3.39Å; H403-W472 WeakPolarHBondContact NE2-CZ2 3.45Å; H403-A489 HydrophobicContact CB-CB 3.77Å
404	H	70.9	Confident	60.6	Low	98 Å²	98	70 Å²	70	45%	0.454	38%	0.379	S	S	.	.	H	α-helix	trans	-57.2	-49.6	179	-164.4	-106.4	0	0	0	112.1	E295 L400 R401 T406 A407 A408	E295-H404 IonicContact OE2-CE1 2.66Å; L400-H404 WeakPolarHBondContact O-CB 3.44Å; L400-H404 PolarHBondContact O-N 3.01Å; R401-H404 PolarHBondContact O-N 3.38Å; H404-T406 PolarHBondContact O-N 3.25Å; H404-A407 PolarHBondContact O-N 2.77Å; H404-A408 WeakPolarHBondContact O-CB 3.4Å; H404-A408 PolarHBondContact O-N 3.3Å
405	Q	69	Low	60.1	Low	131 Å²	131	70 Å²	70	61%	0.612	39%	0.392	S	S	*	.	H	α-helix	trans	-60.7	-30.9	179.2	-72	173.2	-16.9	0	0	113.5	R401 H403	R401-Q405 WeakPolarHBondContact O-CB 3.43Å; R401-Q405 VanDerWaalsContact O-CG 3.26Å; R401-Q405 WeakPolarHBondContact O-CG 3.46Å; R401-Q405 PolarHBondContact O-N 3.37Å; H403-Q405 PolarHBondContact O-N 3.39Å
406	T	71.5	Confident	59.5	Low	11 Å²	11	71.2 Å²	71.2	7%	0.067	40%	0.404	C	S	.	.	H	α-helix	trans	-93.3	-19.5	-178.1	56.9	0	0	0	0	114.1	H402 H403 H404 T409 Y410 C468	H402-T406 WeakPolarHBondContact O-CB 3.33Å; H402-T406 WeakPolarHBondContact O-CG2 3.5Å; H402-T406 PolarHBondContact O-N 2.93Å; H402-T406 VanDerWaalsContact O-N 3.14Å; H402-T406 PolarHBondContact O-OG1 3.5Å; H403-T406 PolarHBondContact O-N 2.85Å; H403-T406 VanDerWaalsContact O-N 3.16Å; H403-T406 PolarHBondContact O-OG1 3Å; H403-T406 VanDerWaalsContact O-OG1 3.11Å; H404-T406 PolarHBondContact O-N 3.25Å; T406-T409 PolarHBondContact O-OG1 3.24Å; T406-Y410 WeakPolarHBondContact O-CD2 3.38Å; T406-C468 HydrophobicContact CG2-CB 3.94Å; T406-C468 PolarHBondContact OG1-SG 3.42Å
407	A	71.4	Confident	58.6	Low	16 Å²	16	72.3 Å²	72.3	13%	0.132	41%	0.412	C	S	.	.	H	α-helix	trans	-97.9	-35.9	178.1	0	0	0	0	0	113	H403 H404 T409 Y410 W472	H403-A407 VanDerWaalsContact O-CB 3.26Å; H403-A407 WeakPolarHBondContact O-CB 3.45Å; H403-A407 PolarHBondContact O-N 3.23Å; H404-A407 PolarHBondContact O-N 2.77Å; A407-T409 PolarHBondContact O-N 3.38Å; A407-T409 VanDerWaalsContact O-N 3.1Å; A407-Y410 PolarHBondContact O-N 3.45Å; A407-Y410 VanDerWaalsContact O-O 3.05Å; A407-W472 HydrophobicContact CB-CD2 4.11Å; A407-W472 HydrophobicContact CB-CG 4.49Å; A407-W472 HydrophobicContact CB-CZ2 4.25Å
408	A	63.7	Low	57.7	Low	72 Å²	72	76.9 Å²	76.9	60%	0.595	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20	-177.9	0	0	0	0	0	113.8	H404 Y410	H404-A408 WeakPolarHBondContact O-CB 3.4Å; H404-A408 PolarHBondContact O-N 3.3Å; A408-Y410 PolarHBondContact O-N 2.99Å
409	T	60.1	Low	56.7	Low	95 Å²	95	77 Å²	77	58%	0.583	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.6	172.4	29.1	0	0	0	0	113.9	T406 A407	T406-T409 PolarHBondContact O-OG1 3.24Å; A407-T409 PolarHBondContact O-N 3.38Å; A407-T409 VanDerWaalsContact O-N 3.1Å
410	Y	60.8	Low	55.3	Low	40 Å²	40	83.3 Å²	83.3	16%	0.157	48%	0.484	C	S	.	.	S	Bend	trans	-134.7	110	-175.8	-57.6	-70.8	0	0	0	110.9	T406 A407 A408 I412 Q464 S469 W472 H473	T406-Y410 WeakPolarHBondContact O-CD2 3.38Å; A407-Y410 PolarHBondContact O-N 3.45Å; A407-Y410 VanDerWaalsContact O-O 3.05Å; A408-Y410 PolarHBondContact O-N 2.99Å; Y410-I412 PolarHBondContact O-N 3.48Å; Y410-Q464 VanDerWaalsContact OH-CD 3.27Å; Y410-Q464 PolarHBondContact OH-NE2 3.3Å; Y410-Q464 PolarHBondContact OH-OE1 3.37Å; Y410-S469 WeakPolarHBondContact CE2-O 3.4Å; Y410-W472 HydrophobicContact CD2-CB 3.41Å; Y410-W472 VanDerWaalsContact CD2-CB 3.41Å; Y410-W472 HydrophobicContact CD2-CG 4.48Å; Y410-W472 HydrophobicContact CE2-CB 4.03Å; Y410-W472 HydrophobicContact CG-CB 4Å; Y410-H473 HydrophobicContact CD1-CB 4.17Å; Y410-H473 HydrophobicContact CE1-CB 3.53Å; Y410-H473 AromaticContact CE1-CG 3.96Å; Y410-H473 AromaticContact CE1-ND1 3.63Å; Y410-H473 HydrophobicContact CE2-CB 4.28Å
411	S	51.8	Low	54	Low	109 Å²	109	82.8 Å²	82.8	76%	0.762	49%	0.49	S	S	*	.			trans	-66.7	120.4	179.4	46.6	0	0	0	0	111.4	P413	S411-P413 WeakPolarHBondContact O-CD 3.47Å
412	I	52.7	Low	53.2	Low	80 Å²	80	86 Å²	86	41%	0.41	51%	0.511	S	S	.	.			trans	-63	125.8	174	-60	173.1	0	0	0	108.3	Y410 Q414	Y410-I412 PolarHBondContact O-N 3.48Å; I412-Q414 PolarHBondContact O-N 3.25Å
413	P	43.3	Very low	52.5	Low	57 Å²	57	87.8 Å²	87.8	37%	0.37	54%	0.538	S	S	.	.			trans	-63.1	102.7	-179.9	-24.2	34.7	0	0	0	112.2	S411 G415	S411-P413 WeakPolarHBondContact O-CD 3.47Å; P413-G415 PolarHBondContact O-N 3.4Å
414	Q	42.9	Very low	51.9	Low	166 Å²	166	90.7 Å²	90.7	78%	0.776	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-62.5	-12.9	178.9	-65.7	180	-7.6	0	0	113.5	I412 A416 L417	I412-Q414 PolarHBondContact O-N 3.25Å; Q414-A416 PolarHBondContact O-N 2.9Å; Q414-A416 VanDerWaalsContact O-N 3.11Å; Q414-L417 WeakPolarHBondContact O-CG 3.17Å; Q414-L417 PolarHBondContact O-N 2.85Å
415	G	42.8	Very low	51.8	Low	72 Å²	72	91.6 Å²	91.6	74%	0.742	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-62.4	-13.7	-178.3	0	0	0	0	0	116	P413 L417	P413-G415 PolarHBondContact O-N 3.4Å; G415-L417 PolarHBondContact O-N 2.8Å
416	A	41.3	Very low	52	Low	57 Å²	57	86.3 Å²	86.3	47%	0.471	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-74.5	-1.3	176.1	0	0	0	0	0	114.3	Q414 M418 P481	Q414-A416 PolarHBondContact O-N 2.9Å; Q414-A416 VanDerWaalsContact O-N 3.11Å; A416-M418 PolarHBondContact O-N 3.1Å; A416-P481 HydrophobicContact CB-CB 4.35Å
417	L	40	Very low	52.4	Low	99 Å²	99	91.3 Å²	91.3	52%	0.518	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-79.3	-8.2	-175.6	-73.7	170.2	0	0	0	115.5	Q414 G415	Q414-L417 WeakPolarHBondContact O-CG 3.17Å; Q414-L417 PolarHBondContact O-N 2.85Å; G415-L417 PolarHBondContact O-N 2.8Å
418	M	34.6	Very low	52.8	Low	175 Å²	175	90.7 Å²	90.7	86%	0.862	56%	0.555	S	S	*	*	S	Bend	trans	-125.8	52.3	-173.5	-68.3	-85.3	88.4	0	0	113.2	A416	A416-M418 PolarHBondContact O-N 3.1Å
419	S	35	Very low	53.4	Low	94 Å²	94	90.2 Å²	90.2	66%	0.657	55%	0.551	S	S	*	*			trans	-141.7	90.2	161.5	-148.8	0	0	0	0	112.1	G421	S419-G421 PolarHBondContact O-N 2.79Å
420	S	39.1	Very low	54.3	Low	139 Å²	139	89.1 Å²	89.1	97%	0.972	54%	0.544	S	S	*	.			trans	-72.3	66.9	162.8	58.1	0	0	0	0	109.8
421	G	37	Very low	55.3	Low	39 Å²	39	89 Å²	89	40%	0.402	55%	0.549	S	S	.	.			trans	-123.5	107	179.8	0	0	0	0	0	110.6	S419 G423	S419-G421 PolarHBondContact O-N 2.79Å; G421-G423 VanDerWaalsContact C-N 3.29Å; G421-G423 PolarHBondContact O-N 3.43Å
422	Q	48.2	Very low	56.7	Low	213 Å²	213	89.3 Å²	89.3	100%	0.995	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	87.6	167.9	-72.5	176.3	-37.2	0	0	109.1
423	G	54.3	Low	58.1	Low	66 Å²	66	91.4 Å²	91.4	68%	0.68	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.3	16.2	175.5	0	0	0	0	0	118.1	G421 E425	G421-G423 VanDerWaalsContact C-N 3.29Å; G421-G423 PolarHBondContact O-N 3.43Å; G423-E425 PolarHBondContact O-N 3.49Å
424	S	59.8	Low	59.9	Low	75 Å²	75	92.7 Å²	92.7	52%	0.524	56%	0.559	S	S	.	*			trans	-75.4	106.7	171.6	41.1	0	0	0	0	111.6
425	E	68.1	Low	61.8	Low	118 Å²	118	86.1 Å²	86.1	55%	0.551	53%	0.529	S	S	*	.			trans	-63.9	134.8	162.3	-62	173.2	139.6	0	0	109.5	G423 K427 T434	G423-E425 PolarHBondContact O-N 3.49Å; E425-K427 PolarHBondContact O-N 3.5Å; E425-K427 WeakPolarHBondContact OE2-CE 3.34Å; E425-K427 IonicContact OE2-NZ 2.99Å; E425-K427 PolarHBondContact OE2-NZ 3.08Å; E425-T434 HydrophobicContact CB-CG2 4.06Å; E425-T434 WeakPolarHBondContact OE2-CG2 3.47Å
426	L	74.8	Confident	63.4	Low	20 Å²	20	84.5 Å²	84.5	11%	0.105	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.8	174.2	-71.8	143	0	0	0	109	T434 L435 G436 K437 P481 V493	L426-T434 CarbonylContact O-C 3.58Å; L426-T434 VanDerWaalsContact O-CA 3.29Å; L426-T434 WeakPolarHBondContact O-CA 3.47Å; L426-L435 HydrophobicContact CB-CB 3.98Å; L426-L435 PolarHBondContact O-N 2.84Å; L426-G436 WeakPolarHBondContact CD1-O 3.14Å; L426-K437 HydrophobicContact CD1-CB 4.36Å; L426-K437 HydrophobicContact CD1-CG 3.95Å; L426-P481 HydrophobicContact CD2-CG 3.51Å; L426-V493 HydrophobicContact CD1-CB 4.41Å; L426-V493 HydrophobicContact CD1-CG1 3.41Å; L426-V493 VanDerWaalsContact CD1-CG1 3.41Å; L426-V493 HydrophobicContact CD2-CG1 3.44Å; L426-V493 VanDerWaalsContact CD2-CG1 3.44Å; L426-V493 HydrophobicContact CG-CG1 4.04Å
427	K	78.3	Confident	65.1	Low	116 Å²	116	86.6 Å²	86.6	50%	0.504	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127	-177.6	-74.9	171.2	-179.7	164.1	0	110.1	E425 A429 K433 T434	E425-K427 PolarHBondContact O-N 3.5Å; E425-K427 WeakPolarHBondContact OE2-CE 3.34Å; E425-K427 IonicContact OE2-NZ 2.99Å; E425-K427 PolarHBondContact OE2-NZ 3.08Å; K427-A429 PolarHBondContact O-N 2.93Å; K427-K433 WeakPolarHBondContact CA-O 3.47Å; K427-T434 HydrophobicContact CD-CG2 4.2Å; K427-T434 HydrophobicContact CG-CG2 3.78Å
428	C	81.4	Confident	67	Low	2 Å²	2	87.2 Å²	87.2	1%	0.014	52%	0.515	C	S	.	.			trans	-68.5	124.4	173.5	169.8	0	0	0	0	110.5	V430 C431 T432 K433 H445 L478	C428-V430 PolarHBondContact O-N 2.71Å; C428-V430 PolarHBondContact SG-N 2.91Å; C428-V430 VanDerWaalsContact SG-N 3.44Å; C428-C431 PolarHBondContact SG-N 3.35Å; C428-C431 VanDerWaalsContact SG-N 3.36Å; C428-T432 WeakPolarHBondContact O-CA 3.08Å; C428-T432 PolarHBondContact O-N 3.23Å; C428-K433 PolarHBondContact N-O 3.28Å; C428-H445 VanDerWaalsContact CB-NE2 3.26Å; C428-H445 WeakPolarHBondContact CB-NE2 3.37Å; C428-H445 PolarHBondContact SG-NE2 2.81Å; C428-L478 WeakPolarHBondContact SG-CD2 3.48Å
429	A	76	Confident	69.2	Low	62 Å²	62	80 Å²	80	51%	0.512	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.2	-179.7	0	0	0	0	0	114	K427 L478 S479	K427-A429 PolarHBondContact O-N 2.93Å; A429-L478 WeakPolarHBondContact CB-O 3.37Å; A429-L478 PolarHBondContact N-O 3.22Å; A429-S479 WeakPolarHBondContact CB-OG 3.48Å
430	V	79.2	Confident	71.5	Confident	72 Å²	72	78.7 Å²	78.7	44%	0.436	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-44.4	-175.9	177	0	0	0	0	112.5	C428 V459 L478	C428-V430 PolarHBondContact O-N 2.71Å; C428-V430 PolarHBondContact SG-N 2.91Å; C428-V430 VanDerWaalsContact SG-N 3.44Å; V430-V459 HydrophobicContact CG2-CG1 4.43Å; V430-V459 HydrophobicContact CG2-CG2 4.36Å; V430-L478 HydrophobicContact CB-CD2 3.75Å; V430-L478 HydrophobicContact CG2-CD2 3.64Å
431	C	81.9	Confident	73.7	Confident	39 Å²	39	73.9 Å²	73.9	26%	0.264	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	3.1	-177	80.9	0	0	0	0	114.6	C428 K433 H445	C428-C431 PolarHBondContact SG-N 3.35Å; C428-C431 VanDerWaalsContact SG-N 3.36Å; C431-K433 PolarHBondContact O-N 2.88Å; C431-K433 VanDerWaalsContact SG-CG 3.51Å; C431-H445 PolarHBondContact SG-CE1 3.5Å
432	T	79.6	Confident	76	Confident	115 Å²	115	72.1 Å²	72.1	71%	0.706	41%	0.412	S	S	*	.			trans	59.5	3.8	178.9	68.3	0	0	0	0	116.8	C428 T434	C428-T432 WeakPolarHBondContact O-CA 3.08Å; C428-T432 PolarHBondContact O-N 3.23Å; T432-T434 PolarHBondContact O-N 2.92Å
433	K	83.1	Confident	77.8	Confident	124 Å²	124	63.3 Å²	63.3	54%	0.539	37%	0.37	S	S	.	.			trans	-62.6	135.5	178.6	-74.4	179.1	-177.6	176.6	0	110.6	K427 C428 C431	K427-K433 WeakPolarHBondContact CA-O 3.47Å; C428-K433 PolarHBondContact N-O 3.28Å; C431-K433 PolarHBondContact O-N 2.88Å; C431-K433 VanDerWaalsContact SG-CG 3.51Å
434	T	81.6	Confident	79.3	Confident	84 Å²	84	64 Å²	64	52%	0.515	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.7	165.8	40.2	0	0	0	0	110.4	E425 L426 K427 T432	E425-T434 HydrophobicContact CB-CG2 4.06Å; E425-T434 WeakPolarHBondContact OE2-CG2 3.47Å; L426-T434 CarbonylContact O-C 3.58Å; L426-T434 VanDerWaalsContact O-CA 3.29Å; L426-T434 WeakPolarHBondContact O-CA 3.47Å; K427-T434 HydrophobicContact CD-CG2 4.2Å; K427-T434 HydrophobicContact CG-CG2 3.78Å; T432-T434 PolarHBondContact O-N 2.92Å
435	L	81	Confident	80.6	Confident	28 Å²	28	61 Å²	61	15%	0.147	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.4	-178.4	-54	176.2	0	0	0	110.2	L426 L442 H445 L480	L426-L435 HydrophobicContact CB-CB 3.98Å; L426-L435 PolarHBondContact O-N 2.84Å; L435-L442 HydrophobicContact CD1-CD1 3.79Å; L435-H445 HydrophobicContact CD1-CB 4.18Å; L435-H445 VanDerWaalsContact CD1-CD2 3.44Å; L435-H445 WeakPolarHBondContact CD1-CD2 3.4Å; L435-H445 HydrophobicContact CD2-CB 3.61Å; L435-H445 VanDerWaalsContact CD2-CG 3.46Å; L435-L480 HydrophobicContact CD1-CD1 3.85Å; L435-L480 HydrophobicContact CD1-CD2 3.92Å
436	G	76.9	Confident	81.4	Confident	37 Å²	37	55.4 Å²	55.4	38%	0.381	31%	0.309	S	S	.	.			trans	-64	160.1	167.4	0	0	0	0	0	111.4	L426 D438	L426-G436 WeakPolarHBondContact CD1-O 3.14Å; G436-D438 PolarHBondContact O-N 2.83Å
437	K	77.8	Confident	82.1	Confident	101 Å²	101	56.4 Å²	56.4	44%	0.439	31%	0.314	S	S	.	.	S	Bend	trans	-77.6	1.7	179.9	-66	180	166.4	-151.3	0	113.8	L426 E494	L426-K437 HydrophobicContact CD1-CB 4.36Å; L426-K437 HydrophobicContact CD1-CG 3.95Å; K437-E494 WeakPolarHBondContact CD-OE1 3.09Å; K437-E494 WeakPolarHBondContact CE-OE1 3.34Å; K437-E494 IonicContact NZ-OE1 3.05Å; K437-E494 PolarHBondContact NZ-OE1 3.38Å
438	D	80.3	Confident	82.5	Confident	113 Å²	113	54.4 Å²	54.4	60%	0.604	32%	0.315	S	S	*	.	S	Bend	trans	-84.8	131.2	179.8	-52.8	-63.2	0	0	0	111.3	G436 Q440 A441 L442	G436-D438 PolarHBondContact O-N 2.83Å; D438-Q440 PolarHBondContact O-N 3.33Å; D438-A441 HydrophobicContact CB-CB 4.3Å; D438-A441 PolarHBondContact O-N 3.2Å; D438-A441 VanDerWaalsContact O-N 3.08Å; D438-L442 PolarHBondContact O-N 2.97Å; D438-L442 VanDerWaalsContact O-N 3.12Å
439	F	80.7	Confident	82.5	Confident	23 Å²	23	55.6 Å²	55.6	10%	0.101	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-34.1	179.5	179.2	-102.4	0	0	0	112.9	E387 M388 L442 R443 V482 C491 V493	E387-F439 HydrophobicContact CB-CD1 4.28Å; E387-F439 HydrophobicContact CB-CE1 3.74Å; M388-F439 HydrophobicContact CE-CE2 4.19Å; M388-F439 HydrophobicContact CE-CZ 3.83Å; M388-F439 HydrophobicContact SD-CZ 4.07Å; F439-L442 HydrophobicContact CD2-CD2 4.26Å; F439-L442 HydrophobicContact CE2-CD2 4.48Å; F439-L442 WeakPolarHBondContact O-CB 3.44Å; F439-L442 PolarHBondContact O-N 3.36Å; F439-R443 HydrophobicContact CE1-CB 4.37Å; F439-R443 WeakPolarHBondContact O-CB 3.28Å; F439-R443 PolarHBondContact O-N 2.97Å; F439-V482 HydrophobicContact CD2-CG1 4.48Å; F439-V482 HydrophobicContact CE2-CG1 4.03Å; F439-V482 HydrophobicContact CE2-CG2 4.12Å; F439-C491 HydrophobicContact CD1-CB 3.91Å; F439-C491 HydrophobicContact CD2-CB 3.57Å; F439-C491 HydrophobicContact CE1-CB 3.71Å; F439-C491 HydrophobicContact CE2-CB 3.34Å; F439-C491 HydrophobicContact CG-CB 3.86Å; F439-C491 HydrophobicContact CZ-CB 3.41Å; F439-C491 VanDerWaalsContact CZ-CB 3.41Å; F439-V493 VanDerWaalsContact CA-CG2 3.49Å; F439-V493 HydrophobicContact CB-CG2 3.96Å; F439-V493 HydrophobicContact CD2-CG2 4.26Å
440	Q	83.4	Confident	83.1	Confident	67 Å²	67	53.4 Å²	53.4	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-39.2	177.1	-178.2	53.6	40.9	0	0	112.1	D438 R443 D444	D438-Q440 PolarHBondContact O-N 3.33Å; Q440-R443 PolarHBondContact O-N 2.84Å; Q440-D444 PolarHBondContact NE2-OD1 3.21Å; Q440-D444 PolarHBondContact NE2-OD2 3.14Å; Q440-D444 WeakPolarHBondContact O-CB 3.42Å; Q440-D444 VanDerWaalsContact O-CG 3.24Å; Q440-D444 PolarHBondContact O-N 3.15Å
441	A	84.3	Confident	83.3	Confident	38 Å²	38	52.3 Å²	52.3	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-36.8	175.4	0	0	0	0	0	112	D438 H445	D438-A441 HydrophobicContact CB-CB 4.3Å; D438-A441 PolarHBondContact O-N 3.2Å; D438-A441 VanDerWaalsContact O-N 3.08Å; A441-H445 WeakPolarHBondContact O-CB 3.31Å; A441-H445 PolarHBondContact O-N 3.45Å; A441-H445 VanDerWaalsContact O-N 3.09Å
442	L	84.9	Confident	83.2	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-49.3	171.1	173.8	61.6	0	0	0	111.4	L435 D438 F439 D444 H445 L446 L480 V482 V493	L435-L442 HydrophobicContact CD1-CD1 3.79Å; D438-L442 PolarHBondContact O-N 2.97Å; D438-L442 VanDerWaalsContact O-N 3.12Å; F439-L442 HydrophobicContact CD2-CD2 4.26Å; F439-L442 HydrophobicContact CE2-CD2 4.48Å; F439-L442 WeakPolarHBondContact O-CB 3.44Å; F439-L442 PolarHBondContact O-N 3.36Å; L442-D444 PolarHBondContact O-N 2.88Å; L442-H445 CarbonylContact O-C 3.57Å; L442-H445 WeakPolarHBondContact O-CA 3.49Å; L442-H445 WeakPolarHBondContact O-CB 3.29Å; L442-H445 PolarHBondContact O-N 3.21Å; L442-H445 VanDerWaalsContact O-N 3.12Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 3.18Å; L442-L480 HydrophobicContact CD1-CB 3.87Å; L442-L480 HydrophobicContact CD1-CD1 3.49Å; L442-L480 VanDerWaalsContact CD1-CD1 3.49Å; L442-L480 HydrophobicContact CD1-CD2 4.45Å; L442-L480 HydrophobicContact CD1-CG 4.12Å; L442-V482 HydrophobicContact CD2-CG2 3.45Å; L442-V482 VanDerWaalsContact CD2-CG2 3.45Å; L442-V493 HydrophobicContact CB-CG2 4.26Å; L442-V493 HydrophobicContact CD2-CG1 4.05Å; L442-V493 HydrophobicContact CD2-CG2 3.82Å
443	R	86.3	Confident	83.2	Confident	28 Å²	28	58.8 Å²	58.8	11%	0.106	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-44.4	178.8	175.8	176.3	170.6	-92.6	-12.1	112.5	E387 M388 R390 F439 Q440 H445 L446 L447	E387-R443 WeakPolarHBondContact O-CD 3.37Å; E387-R443 PolarHBondContact O-NE 3.49Å; E387-R443 VanDerWaalsContact O-NE 3.11Å; M388-R443 PolarHBondContact O-NE 3.37Å; R390-R443 VanDerWaalsContact CG-NH2 3.34Å; F439-R443 HydrophobicContact CE1-CB 4.37Å; F439-R443 WeakPolarHBondContact O-CB 3.28Å; F439-R443 PolarHBondContact O-N 2.97Å; Q440-R443 PolarHBondContact O-N 2.84Å; R443-H445 PolarHBondContact O-N 3.41Å; R443-L446 WeakPolarHBondContact O-CB 3.37Å; R443-L446 PolarHBondContact O-N 3.31Å; R443-L446 VanDerWaalsContact O-N 3.17Å; R443-L447 WeakPolarHBondContact O-CG 3.43Å; R443-L447 PolarHBondContact O-N 3.25Å
444	D	86.3	Confident	82.9	Confident	80 Å²	80	56.9 Å²	56.9	43%	0.428	32%	0.316	S	S	.	.	H	α-helix	trans	-65.9	-29.7	177	-65.9	-25.2	0	0	0	111.8	Q440 L442	Q440-D444 PolarHBondContact NE2-OD1 3.21Å; Q440-D444 PolarHBondContact NE2-OD2 3.14Å; Q440-D444 WeakPolarHBondContact O-CB 3.42Å; Q440-D444 VanDerWaalsContact O-CG 3.24Å; Q440-D444 PolarHBondContact O-N 3.15Å; L442-D444 PolarHBondContact O-N 2.88Å
445	H	87.1	Confident	83	Confident	13 Å²	13	55.5 Å²	55.5	6%	0.06	31%	0.305	C	S	.	.	H	α-helix	trans	-70.3	-43.6	168.9	175.5	58.8	0	0	0	113.3	C428 C431 L435 A441 L442 R443 L447 S448 H449	C428-H445 VanDerWaalsContact CB-NE2 3.26Å; C428-H445 WeakPolarHBondContact CB-NE2 3.37Å; C428-H445 PolarHBondContact SG-NE2 2.81Å; C431-H445 PolarHBondContact SG-CE1 3.5Å; L435-H445 HydrophobicContact CD1-CB 4.18Å; L435-H445 VanDerWaalsContact CD1-CD2 3.44Å; L435-H445 WeakPolarHBondContact CD1-CD2 3.4Å; L435-H445 HydrophobicContact CD2-CB 3.61Å; L435-H445 VanDerWaalsContact CD2-CG 3.46Å; A441-H445 WeakPolarHBondContact O-CB 3.31Å; A441-H445 PolarHBondContact O-N 3.45Å; A441-H445 VanDerWaalsContact O-N 3.09Å; L442-H445 CarbonylContact O-C 3.57Å; L442-H445 WeakPolarHBondContact O-CA 3.49Å; L442-H445 WeakPolarHBondContact O-CB 3.29Å; L442-H445 PolarHBondContact O-N 3.21Å; L442-H445 VanDerWaalsContact O-N 3.12Å; R443-H445 PolarHBondContact O-N 3.41Å; H445-L447 PolarHBondContact O-N 3.06Å; H445-S448 PolarHBondContact ND1-OG 3.5Å; H445-S448 WeakPolarHBondContact O-CB 3.27Å; H445-S448 PolarHBondContact O-N 3.25Å; H445-S448 PolarHBondContact O-OG 3.06Å; H445-H449 AromaticContact CE1-CD2 3.32Å; H445-H449 PolarHBondContact CE1-CD2 3.13Å; H445-H449 AromaticContact CE1-NE2 3.21Å; H445-H449 PolarHBondContact CE1-NE2 3.37Å; H445-H449 AromaticContact NE2-CD2 3.54Å; H445-H449 AromaticContact NE2-NE2 3.63Å
446	L	85.4	Confident	82.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56	-40.7	174.1	-62.9	179.8	0	0	0	111.1	M388 L442 R443 S448 H449 L471 L475 L478 L480	M388-L446 HydrophobicContact SD-CD1 4.14Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 3.18Å; R443-L446 WeakPolarHBondContact O-CB 3.37Å; R443-L446 PolarHBondContact O-N 3.31Å; R443-L446 VanDerWaalsContact O-N 3.17Å; L446-S448 PolarHBondContact O-N 3.34Å; L446-H449 PolarHBondContact O-N 2.75Å; L446-L471 HydrophobicContact CB-CD2 3.62Å; L446-L471 HydrophobicContact CD1-CB 4.49Å; L446-L471 HydrophobicContact CD1-CD2 4.45Å; L446-L475 HydrophobicContact CD1-CD1 4.15Å; L446-L475 HydrophobicContact CD2-CD1 4.03Å; L446-L478 HydrophobicContact CD2-CD1 3.43Å; L446-L478 VanDerWaalsContact CD2-CD1 3.43Å; L446-L480 HydrophobicContact CD2-CD1 4.24Å
447	L	87.8	Confident	83.3	Confident	40 Å²	40	53.9 Å²	53.9	21%	0.209	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-25	176.2	-71.9	169.2	0	0	0	113.4	R443 H445 H449 V450 L452 L467 L471	R443-L447 WeakPolarHBondContact O-CG 3.43Å; R443-L447 PolarHBondContact O-N 3.25Å; H445-L447 PolarHBondContact O-N 3.06Å; L447-H449 VanDerWaalsContact C-N 3.28Å; L447-H449 PolarHBondContact O-N 2.93Å; L447-V450 HydrophobicContact CD2-CG2 4.44Å; L447-L452 HydrophobicContact CD2-CD1 4.37Å; L447-L452 HydrophobicContact CD2-CD2 3.8Å; L447-L452 HydrophobicContact CD2-CG 4.48Å; L447-L467 HydrophobicContact CD2-CD1 4.24Å; L447-L471 HydrophobicContact CD2-CD1 4.43Å; L447-L471 HydrophobicContact CD2-CD2 3.98Å; L447-L471 HydrophobicContact CG-CD2 4.19Å
448	S	86.8	Confident	83.5	Confident	74 Å²	74	51.1 Å²	51.1	52%	0.517	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.6	174.4	74.4	0	0	0	0	114.5	H445 L446	H445-S448 PolarHBondContact ND1-OG 3.5Å; H445-S448 WeakPolarHBondContact O-CB 3.27Å; H445-S448 PolarHBondContact O-N 3.25Å; H445-S448 PolarHBondContact O-OG 3.06Å; L446-S448 PolarHBondContact O-N 3.34Å
449	H	83.3	Confident	83.6	Confident	28 Å²	28	48.2 Å²	48.2	13%	0.13	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	13	-179.9	-78.3	-72.5	0	0	0	113.7	H445 L446 L447 G458 L478	H445-H449 AromaticContact CE1-CD2 3.32Å; H445-H449 PolarHBondContact CE1-CD2 3.13Å; H445-H449 AromaticContact CE1-NE2 3.21Å; H445-H449 PolarHBondContact CE1-NE2 3.37Å; H445-H449 AromaticContact NE2-CD2 3.54Å; H445-H449 AromaticContact NE2-NE2 3.63Å; L446-H449 PolarHBondContact O-N 2.75Å; L447-H449 VanDerWaalsContact C-N 3.28Å; L447-H449 PolarHBondContact O-N 2.93Å; H449-G458 WeakPolarHBondContact O-CA 3.33Å; H449-G458 PolarHBondContact O-N 2.98Å; H449-L478 HydrophobicContact CB-CD1 4.15Å; H449-L478 HydrophobicContact CB-CD2 4.49Å
450	V	87.8	Confident	83.8	Confident	16 Å²	16	49.2 Å²	49.2	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.4	-178.7	-60	0	0	0	0	111.3	L447 L470 L471 A474	L447-V450 HydrophobicContact CD2-CG2 4.44Å; V450-L470 HydrophobicContact CB-CD1 4.16Å; V450-L470 HydrophobicContact CB-CD2 3.91Å; V450-L470 HydrophobicContact CB-CG 3.89Å; V450-L470 HydrophobicContact CG1-CD1 3.91Å; V450-L470 HydrophobicContact CG1-CD2 4.41Å; V450-L470 HydrophobicContact CG1-CG 3.82Å; V450-L470 HydrophobicContact CG2-CD2 4.28Å; V450-L470 HydrophobicContact CG2-CG 4.42Å; V450-L471 HydrophobicContact CG2-CD2 4.29Å; V450-A474 HydrophobicContact CG1-CB 3.67Å
451	C	82.9	Confident	83.8	Confident	49 Å²	49	52.6 Å²	52.6	33%	0.331	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.1	174.7	-174	0	0	0	0	110.4	Q453 T454 L455 T456	C451-Q453 VanDerWaalsContact C-N 3.34Å; C451-Q453 PolarHBondContact O-N 2.6Å; C451-T454 WeakPolarHBondContact CB-OG1 3.43Å; C451-T454 PolarHBondContact SG-OG1 2.7Å; C451-L455 VanDerWaalsContact O-CA 3.27Å; C451-L455 WeakPolarHBondContact O-CA 3.37Å; C451-L455 PolarHBondContact O-N 3.46Å; C451-T456 PolarHBondContact N-O 2.89Å; C451-T456 PolarHBondContact O-N 2.75Å
452	L	80.8	Confident	83.6	Confident	98 Å²	98	55.3 Å²	55.3	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.1	-178.8	-68.5	176.2	0	0	0	114.1	L447 L467	L447-L452 HydrophobicContact CD2-CD1 4.37Å; L447-L452 HydrophobicContact CD2-CD2 3.8Å; L447-L452 HydrophobicContact CD2-CG 4.48Å; L452-L467 HydrophobicContact CD2-CD1 3.42Å; L452-L467 VanDerWaalsContact CD2-CD1 3.42Å; L452-L467 HydrophobicContact CD2-CD2 4.48Å
453	Q	79.6	Confident	83.2	Confident	191 Å²	191	59.6 Å²	59.6	89%	0.893	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.8	-177	-66.8	-178.7	-2.6	0	0	112.8	C451	C451-Q453 VanDerWaalsContact C-N 3.34Å; C451-Q453 PolarHBondContact O-N 2.6Å
454	T	75.6	Confident	82.8	Confident	85 Å²	85	60 Å²	60	52%	0.521	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.9	-177.8	50.4	0	0	0	0	113.3	C451 T456	C451-T454 WeakPolarHBondContact CB-OG1 3.43Å; C451-T454 PolarHBondContact SG-OG1 2.7Å; T454-T456 PolarHBondContact O-N 3.11Å; T454-T456 PolarHBondContact OG1-OG1 3.21Å
455	L	84.1	Confident	82.2	Confident	54 Å²	54	64.6 Å²	64.6	28%	0.283	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	38.7	-170.6	-62.8	176.3	0	0	0	113.4	C451 Q464 L467 L470	C451-L455 VanDerWaalsContact O-CA 3.27Å; C451-L455 WeakPolarHBondContact O-CA 3.37Å; C451-L455 PolarHBondContact O-N 3.46Å; L455-Q464 WeakPolarHBondContact CB-O 3.46Å; L455-Q464 PolarHBondContact O-N 3.43Å; L455-L467 HydrophobicContact CD2-CB 4.43Å; L455-L470 HydrophobicContact CB-CD2 4.19Å; L455-L470 HydrophobicContact CD2-CD2 4Å
456	T	78.1	Confident	81.8	Confident	32 Å²	32	65 Å²	65	20%	0.196	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.9	179.7	50.2	0	0	0	0	112.2	C451 T454 L462 P463	C451-T456 PolarHBondContact N-O 2.89Å; C451-T456 PolarHBondContact O-N 2.75Å; T454-T456 PolarHBondContact O-N 3.11Å; T454-T456 PolarHBondContact OG1-OG1 3.21Å; T456-L462 WeakPolarHBondContact CA-O 3.43Å; T456-P463 HydrophobicContact CG2-CB 3.98Å
457	C	86.4	Confident	81.5	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133	172.6	-171.4	0	0	0	0	111.2	V459 C460 H461 L462 L470 H473	C457-V459 VanDerWaalsContact C-N 3.26Å; C457-V459 PolarHBondContact O-N 3.5Å; C457-V459 PolarHBondContact SG-N 3Å; C457-C460 VanDerWaalsContact CB-SG 3.53Å; C457-H461 WeakPolarHBondContact O-CA 3.36Å; C457-H461 PolarHBondContact O-N 3.5Å; C457-H461 PolarHBondContact O-ND1 3.15Å; C457-L462 PolarHBondContact N-O 3.43Å; C457-L470 HydrophobicContact CB-CD1 4.37Å; C457-H473 WeakPolarHBondContact CB-NE2 3.35Å; C457-H473 VanDerWaalsContact SG-CD2 3.57Å; C457-H473 PolarHBondContact SG-NE2 3.45Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å
458	G	82.6	Confident	81.1	Confident	42 Å²	42	65.1 Å²	65.1	43%	0.433	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9	175.3	0	0	0	0	0	114.1	H449	H449-G458 WeakPolarHBondContact O-CA 3.33Å; H449-G458 PolarHBondContact O-N 2.98Å
459	V	82.3	Confident	80.8	Confident	52 Å²	52	62.3 Å²	62.3	32%	0.315	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-45.2	-179.4	-174.9	0	0	0	0	112	V430 C457 H477	V430-V459 HydrophobicContact CG2-CG1 4.43Å; V430-V459 HydrophobicContact CG2-CG2 4.36Å; C457-V459 VanDerWaalsContact C-N 3.26Å; C457-V459 PolarHBondContact O-N 3.5Å; C457-V459 PolarHBondContact SG-N 3Å; V459-H477 HydrophobicContact CB-CB 4.39Å; V459-H477 HydrophobicContact CG1-CB 4.25Å; V459-H477 HydrophobicContact CG2-CB 4.38Å
460	C	83.6	Confident	80.8	Confident	45 Å²	45	61 Å²	61	30%	0.304	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	2.5	-174.6	66.1	0	0	0	0	114.1	C457 L462 H473 H477	C457-C460 VanDerWaalsContact CB-SG 3.53Å; C460-L462 PolarHBondContact O-N 3.04Å; C460-H473 PolarHBondContact SG-NE2 3.4Å; C460-H477 PolarHBondContact SG-NE2 3.16Å
461	H	83.8	Confident	80.5	Confident	137 Å²	137	60.2 Å²	60.2	63%	0.634	34%	0.338	S	S	*	.			trans	60.6	6.3	177.9	-53.8	-49.8	0	0	0	117	C457	C457-H461 WeakPolarHBondContact O-CA 3.36Å; C457-H461 PolarHBondContact O-N 3.5Å; C457-H461 PolarHBondContact O-ND1 3.15Å
462	L	79.8	Confident	80.6	Confident	95 Å²	95	58 Å²	58	50%	0.497	32%	0.323	S	S	.	.			trans	-62.5	129.7	173.3	-80.6	160.9	0	0	0	111.5	T456 C457 C460	T456-L462 WeakPolarHBondContact CA-O 3.43Å; C457-L462 PolarHBondContact N-O 3.43Å; C460-L462 PolarHBondContact O-N 3.04Å
463	P	77.4	Confident	80.7	Confident	92 Å²	92	54 Å²	54	60%	0.597	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-76.4	149.7	172.9	32.2	-34.3	0	0	0	111.2	T456	T456-P463 HydrophobicContact CG2-CB 3.98Å
464	Q	76.7	Confident	80.9	Confident	37 Å²	37	45 Å²	45	17%	0.173	26%	0.259	C	S	.	.			trans	-131.9	143.1	-174.8	-71.9	-69.5	-19.2	0	0	111.4	Y410 L455 S466 L470 H473	Y410-Q464 VanDerWaalsContact OH-CD 3.27Å; Y410-Q464 PolarHBondContact OH-NE2 3.3Å; Y410-Q464 PolarHBondContact OH-OE1 3.37Å; L455-Q464 WeakPolarHBondContact CB-O 3.46Å; L455-Q464 PolarHBondContact O-N 3.43Å; Q464-S466 VanDerWaalsContact C-N 3.27Å; Q464-S466 PolarHBondContact O-N 2.95Å; Q464-L470 HydrophobicContact CB-CB 3.82Å; Q464-L470 HydrophobicContact CB-CD1 4.06Å; Q464-L470 HydrophobicContact CB-CG 4.46Å; Q464-L470 HydrophobicContact CG-CB 4.24Å; Q464-L470 HydrophobicContact CG-CD1 3.88Å; Q464-H473 HydrophobicContact CG-CB 4.41Å
465	L	74.6	Confident	81.3	Confident	176 Å²	176	41.1 Å²	41.1	92%	0.921	24%	0.235	S	C	*	.	S	Bend	trans	-71	-18.3	-172.2	-66.6	170.4	0	0	0	114.1
466	S	78.1	Confident	81.2	Confident	23 Å²	23	40.7 Å²	40.7	16%	0.161	24%	0.239	C	C	.	.	S	Bend	trans	-152.5	158.7	178.7	80.5	0	0	0	0	111.6	Q464 C468 S469 L470	Q464-S466 VanDerWaalsContact C-N 3.27Å; Q464-S466 PolarHBondContact O-N 2.95Å; S466-C468 PolarHBondContact O-N 2.9Å; S466-C468 PolarHBondContact OG-N 2.67Å; S466-S469 PolarHBondContact O-N 2.93Å; S466-S469 PolarHBondContact OG-N 2.94Å; S466-S469 PolarHBondContact OG-OG 2.88Å; S466-L470 WeakPolarHBondContact O-CB 3.33Å; S466-L470 PolarHBondContact O-N 3.25Å
467	L	79.3	Confident	81.3	Confident	41 Å²	41	42.6 Å²	42.6	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-33.3	171.4	179.5	59	0	0	0	112.3	C389 L447 L452 L455 L471	C389-L467 HydrophobicContact CB-CB 4.47Å; L447-L467 HydrophobicContact CD2-CD1 4.24Å; L452-L467 HydrophobicContact CD2-CD1 3.42Å; L452-L467 VanDerWaalsContact CD2-CD1 3.42Å; L452-L467 HydrophobicContact CD2-CD2 4.48Å; L455-L467 HydrophobicContact CD2-CB 4.43Å; L467-L471 HydrophobicContact CD1-CD1 3.92Å; L467-L471 HydrophobicContact CD1-CG 4.07Å; L467-L471 HydrophobicContact CG-CD1 3.96Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.3Å; L467-L471 PolarHBondContact O-N 3.36Å; L467-L471 VanDerWaalsContact O-N 3.09Å
468	C	80.8	Confident	80.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-53.1	177.5	-157.5	0	0	0	0	110.7	C389 T406 S466 L470 L471 W472	C389-C468 HydrophobicContact CB-CB 3.72Å; T406-C468 HydrophobicContact CG2-CB 3.94Å; T406-C468 PolarHBondContact OG1-SG 3.42Å; S466-C468 PolarHBondContact O-N 2.9Å; S466-C468 PolarHBondContact OG-N 2.67Å; C468-L470 PolarHBondContact O-N 3.22Å; C468-L471 PolarHBondContact O-N 3.09Å; C468-L471 VanDerWaalsContact O-N 3.16Å; C468-W472 VanDerWaalsContact O-CD1 3.24Å; C468-W472 PolarHBondContact O-N 2.78Å
469	S	79.9	Confident	80.5	Confident	15 Å²	15	44 Å²	44	11%	0.105	25%	0.249	C	C	.	.	H	α-helix	trans	-56.5	-39.7	176.2	-50	0	0	0	0	111.8	Y410 S466 H473	Y410-S469 WeakPolarHBondContact CE2-O 3.4Å; S466-S469 PolarHBondContact O-N 2.93Å; S466-S469 PolarHBondContact OG-N 2.94Å; S466-S469 PolarHBondContact OG-OG 2.88Å; S469-H473 WeakPolarHBondContact O-CB 3.22Å; S469-H473 PolarHBondContact O-N 3.06Å
470	L	82.8	Confident	80.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-38.4	178.6	-178.4	56.9	0	0	0	113.4	V450 L455 C457 Q464 S466 C468 A474	V450-L470 HydrophobicContact CB-CD1 4.16Å; V450-L470 HydrophobicContact CB-CD2 3.91Å; V450-L470 HydrophobicContact CB-CG 3.89Å; V450-L470 HydrophobicContact CG1-CD1 3.91Å; V450-L470 HydrophobicContact CG1-CD2 4.41Å; V450-L470 HydrophobicContact CG1-CG 3.82Å; V450-L470 HydrophobicContact CG2-CD2 4.28Å; V450-L470 HydrophobicContact CG2-CG 4.42Å; L455-L470 HydrophobicContact CB-CD2 4.19Å; L455-L470 HydrophobicContact CD2-CD2 4Å; C457-L470 HydrophobicContact CB-CD1 4.37Å; Q464-L470 HydrophobicContact CB-CB 3.82Å; Q464-L470 HydrophobicContact CB-CD1 4.06Å; Q464-L470 HydrophobicContact CB-CG 4.46Å; Q464-L470 HydrophobicContact CG-CB 4.24Å; Q464-L470 HydrophobicContact CG-CD1 3.88Å; S466-L470 WeakPolarHBondContact O-CB 3.33Å; S466-L470 PolarHBondContact O-N 3.25Å; C468-L470 PolarHBondContact O-N 3.22Å; L470-A474 WeakPolarHBondContact O-CB 3.25Å; L470-A474 PolarHBondContact O-N 3.16Å
471	L	82.4	Confident	79.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-75.8	-38.4	178.3	-69.1	168	0	0	0	111.9	M388 L446 L447 V450 L467 C468 A474 L475	M388-L471 HydrophobicContact CG-CB 3.62Å; M388-L471 HydrophobicContact CG-CD1 3.8Å; M388-L471 HydrophobicContact CG-CG 4.37Å; M388-L471 VanDerWaalsContact O-CD1 3.31Å; M388-L471 WeakPolarHBondContact O-CD1 3.49Å; M388-L471 HydrophobicContact SD-CB 3.56Å; M388-L471 VanDerWaalsContact SD-CB 3.56Å; M388-L471 HydrophobicContact SD-CD1 3.98Å; M388-L471 HydrophobicContact SD-CG 4.34Å; L446-L471 HydrophobicContact CB-CD2 3.62Å; L446-L471 HydrophobicContact CD1-CB 4.49Å; L446-L471 HydrophobicContact CD1-CD2 4.45Å; L447-L471 HydrophobicContact CD2-CD1 4.43Å; L447-L471 HydrophobicContact CD2-CD2 3.98Å; L447-L471 HydrophobicContact CG-CD2 4.19Å; V450-L471 HydrophobicContact CG2-CD2 4.29Å; L467-L471 HydrophobicContact CD1-CD1 3.92Å; L467-L471 HydrophobicContact CD1-CG 4.07Å; L467-L471 HydrophobicContact CG-CD1 3.96Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.3Å; L467-L471 PolarHBondContact O-N 3.36Å; L467-L471 VanDerWaalsContact O-N 3.09Å; C468-L471 PolarHBondContact O-N 3.09Å; C468-L471 VanDerWaalsContact O-N 3.16Å; L471-A474 PolarHBondContact O-N 2.85Å; L471-L475 WeakPolarHBondContact O-CB 3.22Å; L471-L475 PolarHBondContact O-N 3.46Å
472	W	84	Confident	79.6	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-42.1	170.6	-76.9	115.5	0	0	0	112.4	M388 H403 A407 Y410 C468 L475 A476 V482 T484	M388-W472 HydrophobicContact CE-CD2 4.13Å; M388-W472 HydrophobicContact CE-CE3 4.47Å; M388-W472 HydrophobicContact CE-CH2 4.05Å; M388-W472 HydrophobicContact CE-CZ2 3.69Å; M388-W472 HydrophobicContact CE-CZ3 4.44Å; H403-W472 AromaticContact CE1-CZ2 4Å; H403-W472 AromaticContact NE2-CZ2 3.39Å; H403-W472 WeakPolarHBondContact NE2-CZ2 3.45Å; A407-W472 HydrophobicContact CB-CD2 4.11Å; A407-W472 HydrophobicContact CB-CG 4.49Å; A407-W472 HydrophobicContact CB-CZ2 4.25Å; Y410-W472 HydrophobicContact CD2-CB 3.41Å; Y410-W472 VanDerWaalsContact CD2-CB 3.41Å; Y410-W472 HydrophobicContact CD2-CG 4.48Å; Y410-W472 HydrophobicContact CE2-CB 4.03Å; Y410-W472 HydrophobicContact CG-CB 4Å; C468-W472 VanDerWaalsContact O-CD1 3.24Å; C468-W472 PolarHBondContact O-N 2.78Å; W472-L475 HydrophobicContact CE3-CD2 3.82Å; W472-L475 HydrophobicContact CZ3-CD2 3.59Å; W472-L475 WeakPolarHBondContact O-CB 3.32Å; W472-L475 PolarHBondContact O-N 3.2Å; W472-A476 PolarHBondContact O-N 3.08Å; W472-V482 HydrophobicContact CH2-CB 4.45Å; W472-V482 HydrophobicContact CH2-CG1 3.9Å; W472-V482 HydrophobicContact CZ3-CB 4.44Å; W472-V482 HydrophobicContact CZ3-CG1 4.38Å; W472-T484 HydrophobicContact CH2-CG2 3.54Å; W472-T484 HydrophobicContact CZ2-CG2 3.98Å
473	H	83.1	Confident	79.5	Confident	14 Å²	14	32.3 Å²	32.3	7%	0.065	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-45.6	172.8	175.3	65.7	0	0	0	112.9	Y410 C457 C460 Q464 S469 L475 A476 H477	Y410-H473 HydrophobicContact CD1-CB 4.17Å; Y410-H473 HydrophobicContact CE1-CB 3.53Å; Y410-H473 AromaticContact CE1-CG 3.96Å; Y410-H473 AromaticContact CE1-ND1 3.63Å; Y410-H473 HydrophobicContact CE2-CB 4.28Å; C457-H473 WeakPolarHBondContact CB-NE2 3.35Å; C457-H473 VanDerWaalsContact SG-CD2 3.57Å; C457-H473 PolarHBondContact SG-NE2 3.45Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C460-H473 PolarHBondContact SG-NE2 3.4Å; Q464-H473 HydrophobicContact CG-CB 4.41Å; S469-H473 WeakPolarHBondContact O-CB 3.22Å; S469-H473 PolarHBondContact O-N 3.06Å; H473-L475 VanDerWaalsContact C-N 3.32Å; H473-L475 PolarHBondContact O-N 2.98Å; H473-A476 PolarHBondContact O-N 3.24Å; H473-H477 AromaticContact CE1-CD2 3.65Å; H473-H477 AromaticContact CE1-NE2 3.25Å; H473-H477 PolarHBondContact CE1-NE2 2.95Å; H473-H477 AromaticContact NE2-CD2 3.65Å; H473-H477 AromaticContact NE2-NE2 3.5Å; H473-H477 PolarHBondContact O-N 3.03Å
474	A	83.5	Confident	79.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-39.2	176.1	0	0	0	0	0	111.7	V450 L470 L471 A476 H477 L478	V450-A474 HydrophobicContact CG1-CB 3.67Å; L470-A474 WeakPolarHBondContact O-CB 3.25Å; L470-A474 PolarHBondContact O-N 3.16Å; L471-A474 PolarHBondContact O-N 2.85Å; A474-A476 VanDerWaalsContact C-N 3.29Å; A474-A476 PolarHBondContact O-N 3.14Å; A474-H477 PolarHBondContact O-N 3.22Å; A474-H477 VanDerWaalsContact O-N 3.15Å; A474-L478 HydrophobicContact CB-CD1 4.25Å; A474-L478 WeakPolarHBondContact O-CD1 3.48Å; A474-L478 WeakPolarHBondContact O-CG 3.32Å; A474-L478 PolarHBondContact O-N 3.31Å
475	L	85.2	Confident	79.2	Confident	4 Å²	4	28 Å²	28	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-56.3	-43.2	176.8	-167.8	78.4	0	0	0	112.1	L446 L471 W472 H473 H477 L478 S479 L480 V482	L446-L475 HydrophobicContact CD1-CD1 4.15Å; L446-L475 HydrophobicContact CD2-CD1 4.03Å; L471-L475 WeakPolarHBondContact O-CB 3.22Å; L471-L475 PolarHBondContact O-N 3.46Å; W472-L475 HydrophobicContact CE3-CD2 3.82Å; W472-L475 HydrophobicContact CZ3-CD2 3.59Å; W472-L475 WeakPolarHBondContact O-CB 3.32Å; W472-L475 PolarHBondContact O-N 3.2Å; H473-L475 VanDerWaalsContact C-N 3.32Å; H473-L475 PolarHBondContact O-N 2.98Å; L475-H477 VanDerWaalsContact C-N 3.32Å; L475-H477 PolarHBondContact O-N 2.92Å; L475-L478 PolarHBondContact O-N 3.3Å; L475-S479 PolarHBondContact O-N 2.88Å; L475-L480 HydrophobicContact CD1-CB 3.83Å; L475-L480 WeakPolarHBondContact CD1-O 3.48Å; L475-V482 HydrophobicContact CD1-CG2 3.64Å; L475-V482 HydrophobicContact CD2-CB 3.83Å; L475-V482 HydrophobicContact CD2-CG2 3.71Å; L475-V482 HydrophobicContact CG-CG2 4.34Å
476	A	81.5	Confident	79	Confident	45 Å²	45	23.8 Å²	23.8	37%	0.372	14%	0.144	S	C	.	.	H	α-helix	trans	-60.5	-38.5	178.1	0	0	0	0	0	112.7	W472 H473 A474	W472-A476 PolarHBondContact O-N 3.08Å; H473-A476 PolarHBondContact O-N 3.24Å; A474-A476 VanDerWaalsContact C-N 3.29Å; A474-A476 PolarHBondContact O-N 3.14Å
477	H	79.5	Confident	78.4	Confident	73 Å²	73	27.8 Å²	27.8	34%	0.338	16%	0.16	S	C	.	.	H	α-helix	trans	-73.4	-32.7	174.7	-76.1	-63.1	0	0	0	113.8	V459 C460 H473 A474 L475	V459-H477 HydrophobicContact CB-CB 4.39Å; V459-H477 HydrophobicContact CG1-CB 4.25Å; V459-H477 HydrophobicContact CG2-CB 4.38Å; C460-H477 PolarHBondContact SG-NE2 3.16Å; H473-H477 AromaticContact CE1-CD2 3.65Å; H473-H477 AromaticContact CE1-NE2 3.25Å; H473-H477 PolarHBondContact CE1-NE2 2.95Å; H473-H477 AromaticContact NE2-CD2 3.65Å; H473-H477 AromaticContact NE2-NE2 3.5Å; H473-H477 PolarHBondContact O-N 3.03Å; A474-H477 PolarHBondContact O-N 3.22Å; A474-H477 VanDerWaalsContact O-N 3.15Å; L475-H477 VanDerWaalsContact C-N 3.32Å; L475-H477 PolarHBondContact O-N 2.92Å
478	L	78.7	Confident	78.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-86.4	-12.6	-174.8	-60.8	163.6	0	0	0	112.2	C428 A429 V430 L446 H449 A474 L475 L480	C428-L478 WeakPolarHBondContact SG-CD2 3.48Å; A429-L478 WeakPolarHBondContact CB-O 3.37Å; A429-L478 PolarHBondContact N-O 3.22Å; V430-L478 HydrophobicContact CB-CD2 3.75Å; V430-L478 HydrophobicContact CG2-CD2 3.64Å; L446-L478 HydrophobicContact CD2-CD1 3.43Å; L446-L478 VanDerWaalsContact CD2-CD1 3.43Å; H449-L478 HydrophobicContact CB-CD1 4.15Å; H449-L478 HydrophobicContact CB-CD2 4.49Å; A474-L478 HydrophobicContact CB-CD1 4.25Å; A474-L478 WeakPolarHBondContact O-CD1 3.48Å; A474-L478 WeakPolarHBondContact O-CG 3.32Å; A474-L478 PolarHBondContact O-N 3.31Å; L475-L478 PolarHBondContact O-N 3.3Å; L478-L480 HydrophobicContact CB-CD1 3.75Å; L478-L480 HydrophobicContact CB-CG 4.03Å; L478-L480 HydrophobicContact CD1-CD1 4.42Å; L478-L480 PolarHBondContact O-N 2.67Å
479	S	73	Confident	77.8	Confident	70 Å²	70	26.9 Å²	26.9	49%	0.49	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	26.2	-179.4	65	0	0	0	0	114.5	A429 L475	A429-S479 WeakPolarHBondContact CB-OG 3.48Å; L475-S479 PolarHBondContact O-N 2.88Å
480	L	76.1	Confident	77.7	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.163	C	C	.	.			trans	-81.8	134.1	-178.8	-66.7	165.1	0	0	0	109.8	L435 L442 L446 L475 L478 V482	L435-L480 HydrophobicContact CD1-CD1 3.85Å; L435-L480 HydrophobicContact CD1-CD2 3.92Å; L442-L480 HydrophobicContact CD1-CB 3.87Å; L442-L480 HydrophobicContact CD1-CD1 3.49Å; L442-L480 VanDerWaalsContact CD1-CD1 3.49Å; L442-L480 HydrophobicContact CD1-CD2 4.45Å; L442-L480 HydrophobicContact CD1-CG 4.12Å; L446-L480 HydrophobicContact CD2-CD1 4.24Å; L475-L480 HydrophobicContact CD1-CB 3.83Å; L475-L480 WeakPolarHBondContact CD1-O 3.48Å; L478-L480 HydrophobicContact CB-CD1 3.75Å; L478-L480 HydrophobicContact CB-CG 4.03Å; L478-L480 HydrophobicContact CD1-CD1 4.42Å; L478-L480 PolarHBondContact O-N 2.67Å; L480-V482 PolarHBondContact O-N 3.15Å
481	P	76.1	Confident	77.7	Confident	32 Å²	32	27.9 Å²	27.9	21%	0.208	16%	0.164	C	C	.	.			trans	-74	128.3	-179	29.9	-34.4	0	0	0	111	A416 L426 F483	A416-P481 HydrophobicContact CB-CB 4.35Å; L426-P481 HydrophobicContact CD2-CG 3.51Å; P481-F483 HydrophobicContact CB-CE2 4.34Å
482	V	78.4	Confident	77.4	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.172	C	C	.	.			trans	-131.5	131.7	164.6	177.8	0	0	0	0	107.9	F439 L442 W472 L475 L480 T484 C491 F492	F439-V482 HydrophobicContact CD2-CG1 4.48Å; F439-V482 HydrophobicContact CE2-CG1 4.03Å; F439-V482 HydrophobicContact CE2-CG2 4.12Å; L442-V482 HydrophobicContact CD2-CG2 3.45Å; L442-V482 VanDerWaalsContact CD2-CG2 3.45Å; W472-V482 HydrophobicContact CH2-CB 4.45Å; W472-V482 HydrophobicContact CH2-CG1 3.9Å; W472-V482 HydrophobicContact CZ3-CB 4.44Å; W472-V482 HydrophobicContact CZ3-CG1 4.38Å; L475-V482 HydrophobicContact CD1-CG2 3.64Å; L475-V482 HydrophobicContact CD2-CB 3.83Å; L475-V482 HydrophobicContact CD2-CG2 3.71Å; L475-V482 HydrophobicContact CG-CG2 4.34Å; L480-V482 PolarHBondContact O-N 3.15Å; V482-T484 HydrophobicContact CG1-CG2 4.14Å; V482-C491 HydrophobicContact CG1-CB 3.98Å; V482-F492 WeakPolarHBondContact CA-O 3.36Å
483	F	79.6	Confident	77.2	Confident	51 Å²	51	29.9 Å²	29.9	22%	0.224	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.4	171.5	-48.6	-88	0	0	0	108.8	P481 C491 F492 L498	P481-F483 HydrophobicContact CB-CE2 4.34Å; F483-C491 CarbonylContact O-C 3.54Å; F483-C491 WeakPolarHBondContact O-CA 3.42Å; F483-F492 PolarHBondContact N-O 2.99Å; F483-F492 PolarHBondContact O-N 3.35Å; F483-L498 HydrophobicContact CB-CD2 3.78Å
484	T	73.6	Confident	77	Confident	36 Å²	36	32.5 Å²	32.5	22%	0.221	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.8	-175.3	56.7	0	0	0	0	111	W472 V482 C490	W472-T484 HydrophobicContact CH2-CG2 3.54Å; W472-T484 HydrophobicContact CZ2-CG2 3.98Å; V482-T484 HydrophobicContact CG1-CG2 4.14Å; T484-C490 CarbonylContact C-O 3.58Å; T484-C490 WeakPolarHBondContact CA-O 3.33Å
485	C	74.1	Confident	76.6	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	21%	0.209	C	C	.	.			trans	-74.5	125.5	175.1	-176.3	0	0	0	0	110.7	H487 C488 A489 C490 F492 L498	C485-H487 PolarHBondContact O-N 2.94Å; C485-C488 VanDerWaalsContact CB-SG 3.52Å; C485-C488 VanDerWaalsContact SG-SG 3.67Å; C485-A489 WeakPolarHBondContact O-CA 3.43Å; C485-A489 PolarHBondContact O-N 3.47Å; C485-C490 PolarHBondContact N-O 3.26Å; C485-F492 HydrophobicContact CB-CE2 4.35Å; C485-L498 HydrophobicContact CB-CD1 3.83Å
486	P	68.8	Low	76.3	Confident	88 Å²	88	42.4 Å²	42.4	57%	0.571	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.5	-178.2	27.8	-35.6	0	0	0	113.3	L400	L400-P486 WeakPolarHBondContact CD2-O 3.5Å
487	H	66.1	Low	76	Confident	108 Å²	108	42.4 Å²	42.4	50%	0.5	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-27.2	-177.4	-60.8	-59.8	0	0	0	113.7	Q396 C485	Q396-H487 PolarHBondContact NE2-O 3.43Å; C485-H487 PolarHBondContact O-N 2.94Å
488	C	73	Confident	75.9	Confident	17 Å²	17	39.7 Å²	39.7	12%	0.115	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138	-3.6	-171	65.3	0	0	0	0	115.1	C485 C490 H501	C485-C488 VanDerWaalsContact CB-SG 3.52Å; C485-C488 VanDerWaalsContact SG-SG 3.67Å; C488-C490 PolarHBondContact O-N 3.36Å; C488-C490 PolarHBondContact SG-N 3.26Å; C488-H501 PolarHBondContact SG-NE2 3.25Å
489	A	74.8	Confident	75.7	Confident	4 Å²	4	43 Å²	43	3%	0.033	23%	0.234	C	C	.	.			trans	60.1	15.5	-174.2	0	0	0	0	0	116	L399 L400 H403 C485	L399-A489 HydrophobicContact CG-CB 4.3Å; L400-A489 HydrophobicContact CD2-CB 4.05Å; H403-A489 HydrophobicContact CB-CB 3.77Å; C485-A489 WeakPolarHBondContact O-CA 3.43Å; C485-A489 PolarHBondContact O-N 3.47Å
490	C	77.9	Confident	76.1	Confident	33 Å²	33	48.8 Å²	48.8	22%	0.223	25%	0.246	C	C	.	.			trans	-65	140.1	168.9	-65.5	0	0	0	0	111	E387 T484 C485 C488 F492	E387-C490 WeakPolarHBondContact OE2-CA 3.44Å; T484-C490 CarbonylContact C-O 3.58Å; T484-C490 WeakPolarHBondContact CA-O 3.33Å; C485-C490 PolarHBondContact N-O 3.26Å; C488-C490 PolarHBondContact O-N 3.36Å; C488-C490 PolarHBondContact SG-N 3.26Å; C490-F492 HydrophobicContact CB-CE2 3.72Å; C490-F492 HydrophobicContact CB-CZ 3.99Å
491	C	81.7	Confident	76.1	Confident	4 Å²	4	51 Å²	51	3%	0.027	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.6	-171.8	-64.4	0	0	0	0	111	E387 F439 V482 F483	E387-C491 PolarHBondContact OE2-N 2.91Å; F439-C491 HydrophobicContact CD1-CB 3.91Å; F439-C491 HydrophobicContact CD2-CB 3.57Å; F439-C491 HydrophobicContact CE1-CB 3.71Å; F439-C491 HydrophobicContact CE2-CB 3.34Å; F439-C491 HydrophobicContact CG-CB 3.86Å; F439-C491 HydrophobicContact CZ-CB 3.41Å; F439-C491 VanDerWaalsContact CZ-CB 3.41Å; V482-C491 HydrophobicContact CG1-CB 3.98Å; F483-C491 CarbonylContact O-C 3.54Å; F483-C491 WeakPolarHBondContact O-CA 3.42Å
492	F	76.9	Confident	76.2	Confident	39 Å²	39	52.7 Å²	52.7	17%	0.171	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143	-175.2	-60	-89.4	0	0	0	110	V482 F483 C485 C490 P497 L498 H501	V482-F492 WeakPolarHBondContact CA-O 3.36Å; F483-F492 PolarHBondContact N-O 2.99Å; F483-F492 PolarHBondContact O-N 3.35Å; C485-F492 HydrophobicContact CB-CE2 4.35Å; C490-F492 HydrophobicContact CB-CE2 3.72Å; C490-F492 HydrophobicContact CB-CZ 3.99Å; F492-P497 HydrophobicContact CD1-CB 3.98Å; F492-P497 HydrophobicContact CD1-CG 4.21Å; F492-P497 HydrophobicContact CE1-CB 4.47Å; F492-L498 HydrophobicContact CB-CB 4.18Å; F492-L498 HydrophobicContact CD2-CB 3.99Å; F492-L498 HydrophobicContact CD2-CD1 3.62Å; F492-L498 HydrophobicContact CD2-CG 4.4Å; F492-L498 HydrophobicContact CE2-CD1 3.82Å; F492-L498 HydrophobicContact CG-CB 4.04Å; F492-H501 HydrophobicContact CE1-CB 4.25Å; F492-H501 HydrophobicContact CE2-CB 4.4Å; F492-H501 AromaticContact CE2-CD2 3.64Å; F492-H501 HydrophobicContact CZ-CB 3.74Å; F492-H501 AromaticContact CZ-CD2 3.54Å; F492-H501 AromaticContact CZ-CG 3.54Å
493	V	79.6	Confident	76.2	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.042	28%	0.28	C	S	.	.	S	Bend	trans	-91.6	-16.4	179.9	-162.2	0	0	0	0	112	L426 F439 L442	L426-V493 HydrophobicContact CD1-CB 4.41Å; L426-V493 HydrophobicContact CD1-CG1 3.41Å; L426-V493 VanDerWaalsContact CD1-CG1 3.41Å; L426-V493 HydrophobicContact CD2-CG1 3.44Å; L426-V493 VanDerWaalsContact CD2-CG1 3.44Å; L426-V493 HydrophobicContact CG-CG1 4.04Å; F439-V493 VanDerWaalsContact CA-CG2 3.49Å; F439-V493 HydrophobicContact CB-CG2 3.96Å; F439-V493 HydrophobicContact CD2-CG2 4.26Å; L442-V493 HydrophobicContact CB-CG2 4.26Å; L442-V493 HydrophobicContact CD2-CG1 4.05Å; L442-V493 HydrophobicContact CD2-CG2 3.82Å
494	E	79.1	Confident	76.1	Confident	68 Å²	68	54.9 Å²	54.9	32%	0.318	29%	0.29	S	S	.	.	S	Bend	trans	-128.2	155.8	176.6	-60.7	-168.6	118.9	0	0	110.9	K437 P497	K437-E494 WeakPolarHBondContact CD-OE1 3.09Å; K437-E494 WeakPolarHBondContact CE-OE1 3.34Å; K437-E494 IonicContact NZ-OE1 3.05Å; K437-E494 PolarHBondContact NZ-OE1 3.38Å; E494-P497 HydrophobicContact CB-CG 4Å; E494-P497 WeakPolarHBondContact O-CD 3.3Å; E494-P497 VanDerWaalsContact O-CG 3.3Å; E494-P497 WeakPolarHBondContact O-CG 3.32Å
495	R	74.8	Confident	76.3	Confident	132 Å²	132	55.4 Å²	55.4	50%	0.498	29%	0.289	S	S	.	.	H	α-helix	trans	-73.6	-42.7	179.2	-160.3	178	-175.9	149.3	4.9	114.7	L498 D499	R495-L498 WeakPolarHBondContact O-CB 3.46Å; R495-L498 PolarHBondContact O-N 2.5Å; R495-L498 VanDerWaalsContact O-N 3.07Å; R495-D499 PolarHBondContact O-N 2.32Å
496	P	79.6	Confident	76.3	Confident	81 Å²	81	58.2 Å²	58.2	53%	0.526	31%	0.313	S	S	.	.	H	α-helix	trans	-56.5	-38.2	179.3	-26.7	36.4	0	0	0	117	R500	P496-R500 PolarHBondContact O-N 2.58Å; P496-R500 VanDerWaalsContact O-N 3.17Å
497	P	75.6	Confident	76.7	Confident	45 Å²	45	59.5 Å²	59.5	29%	0.292	32%	0.315	S	S	.	.	H	α-helix	trans	-70.9	-33.7	173.5	27.5	-34.4	0	0	0	112.6	F492 E494 H501	F492-P497 HydrophobicContact CD1-CB 3.98Å; F492-P497 HydrophobicContact CD1-CG 4.21Å; F492-P497 HydrophobicContact CE1-CB 4.47Å; E494-P497 HydrophobicContact CB-CG 4Å; E494-P497 WeakPolarHBondContact O-CD 3.3Å; E494-P497 VanDerWaalsContact O-CG 3.3Å; E494-P497 WeakPolarHBondContact O-CG 3.32Å; P497-H501 VanDerWaalsContact O-CB 3.31Å; P497-H501 WeakPolarHBondContact O-CB 3.29Å; P497-H501 PolarHBondContact O-N 3.49Å
498	L	75.9	Confident	76.9	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-48.8	171	174.2	71.5	0	0	0	110.8	F483 C485 F492 R495 R500 H501 M502	F483-L498 HydrophobicContact CB-CD2 3.78Å; C485-L498 HydrophobicContact CB-CD1 3.83Å; F492-L498 HydrophobicContact CB-CB 4.18Å; F492-L498 HydrophobicContact CD2-CB 3.99Å; F492-L498 HydrophobicContact CD2-CD1 3.62Å; F492-L498 HydrophobicContact CD2-CG 4.4Å; F492-L498 HydrophobicContact CE2-CD1 3.82Å; F492-L498 HydrophobicContact CG-CB 4.04Å; R495-L498 WeakPolarHBondContact O-CB 3.46Å; R495-L498 PolarHBondContact O-N 2.5Å; R495-L498 VanDerWaalsContact O-N 3.07Å; L498-R500 VanDerWaalsContact C-N 3.29Å; L498-R500 PolarHBondContact O-N 3.27Å; L498-H501 CarbonylContact O-C 3.16Å; L498-H501 WeakPolarHBondContact O-CA 3.38Å; L498-H501 WeakPolarHBondContact O-CB 3.16Å; L498-H501 PolarHBondContact O-N 2.5Å; L498-M502 HydrophobicContact CD1-CG 4.04Å; L498-M502 HydrophobicContact CD1-SD 4.25Å; L498-M502 HydrophobicContact CD2-CE 4.33Å; L498-M502 HydrophobicContact CD2-SD 4.45Å; L498-M502 HydrophobicContact CG-CE 4.1Å; L498-M502 HydrophobicContact CG-CG 4.22Å; L498-M502 HydrophobicContact CG-SD 4.15Å; L498-M502 WeakPolarHBondContact O-CG 3.45Å; L498-M502 PolarHBondContact O-N 3.1Å
499	D	74.4	Confident	76.7	Confident	69 Å²	69	58.9 Å²	58.9	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-41	-178.5	-63.2	-32.3	0	0	0	111.2	R495 H501 M502 A503	R495-D499 PolarHBondContact O-N 2.32Å; D499-H501 VanDerWaalsContact C-N 3.35Å; D499-H501 PolarHBondContact O-N 3.17Å; D499-M502 PolarHBondContact O-N 3.35Å; D499-A503 WeakPolarHBondContact O-CB 3.25Å; D499-A503 PolarHBondContact O-N 2.87Å
500	R	81.3	Confident	76.6	Confident	192 Å²	192	61.6 Å²	61.6	73%	0.725	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-39.1	173	-170.5	-168.8	-55.6	168.7	4.9	112.5	P496 L498 A503 A504	P496-R500 PolarHBondContact O-N 2.58Å; P496-R500 VanDerWaalsContact O-N 3.17Å; L498-R500 VanDerWaalsContact C-N 3.29Å; L498-R500 PolarHBondContact O-N 3.27Å; R500-A503 PolarHBondContact O-N 3.28Å; R500-A504 PolarHBondContact O-N 3.02Å; R500-A504 VanDerWaalsContact O-N 3.1Å
501	H	77.6	Confident	76.1	Confident	48 Å²	48	62.4 Å²	62.4	22%	0.222	35%	0.352	C	S	.	.	H	α-helix	trans	-71.6	-39.2	179.2	173.4	71.7	0	0	0	112.2	C488 F492 P497 L498 D499 A503 A504 H505	C488-H501 PolarHBondContact SG-NE2 3.25Å; F492-H501 HydrophobicContact CE1-CB 4.25Å; F492-H501 HydrophobicContact CE2-CB 4.4Å; F492-H501 AromaticContact CE2-CD2 3.64Å; F492-H501 HydrophobicContact CZ-CB 3.74Å; F492-H501 AromaticContact CZ-CD2 3.54Å; F492-H501 AromaticContact CZ-CG 3.54Å; P497-H501 VanDerWaalsContact O-CB 3.31Å; P497-H501 WeakPolarHBondContact O-CB 3.29Å; P497-H501 PolarHBondContact O-N 3.49Å; L498-H501 CarbonylContact O-C 3.16Å; L498-H501 WeakPolarHBondContact O-CA 3.38Å; L498-H501 WeakPolarHBondContact O-CB 3.16Å; L498-H501 PolarHBondContact O-N 2.5Å; D499-H501 VanDerWaalsContact C-N 3.35Å; D499-H501 PolarHBondContact O-N 3.17Å; H501-A503 VanDerWaalsContact C-N 3.35Å; H501-A504 WeakPolarHBondContact O-CB 3.32Å; H501-A504 PolarHBondContact O-N 2.81Å; H501-H505 AromaticContact CE1-NE2 3.5Å; H501-H505 PolarHBondContact CE1-NE2 3.33Å; H501-H505 AromaticContact NE2-CD2 3.74Å; H501-H505 AromaticContact NE2-NE2 3.34Å; H501-H505 PolarHBondContact NE2-NE2 3.14Å; H501-H505 PolarHBondContact O-N 3.01Å
502	M	77.1	Confident	75	Confident	67 Å²	67	65.7 Å²	65.7	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-37.8	171.7	-66	-169.1	-56.1	0	0	111.8	L498 D499 A504 H505 A506	L498-M502 HydrophobicContact CD1-CG 4.04Å; L498-M502 HydrophobicContact CD1-SD 4.25Å; L498-M502 HydrophobicContact CD2-CE 4.33Å; L498-M502 HydrophobicContact CD2-SD 4.45Å; L498-M502 HydrophobicContact CG-CE 4.1Å; L498-M502 HydrophobicContact CG-CG 4.22Å; L498-M502 HydrophobicContact CG-SD 4.15Å; L498-M502 WeakPolarHBondContact O-CG 3.45Å; L498-M502 PolarHBondContact O-N 3.1Å; D499-M502 PolarHBondContact O-N 3.35Å; M502-A504 VanDerWaalsContact C-N 3.33Å; M502-A504 PolarHBondContact O-N 3.21Å; M502-H505 PolarHBondContact O-N 3.44Å; M502-A506 PolarHBondContact O-N 3.13Å
503	A	79.6	Confident	74.1	Confident	46 Å²	46	68.2 Å²	68.2	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-41.5	171.8	0	0	0	0	0	111.9	D499 R500 H501 H505 A506 D507	D499-A503 WeakPolarHBondContact O-CB 3.25Å; D499-A503 PolarHBondContact O-N 2.87Å; R500-A503 PolarHBondContact O-N 3.28Å; H501-A503 VanDerWaalsContact C-N 3.35Å; A503-H505 VanDerWaalsContact C-N 3.33Å; A503-H505 PolarHBondContact O-N 3.45Å; A503-A506 WeakPolarHBondContact O-CB 3.21Å; A503-A506 PolarHBondContact O-N 2.92Å; A503-A506 VanDerWaalsContact O-N 3.09Å; A503-D507 PolarHBondContact O-N 2.73Å
504	A	77.4	Confident	73.1	Confident	53 Å²	53	75.2 Å²	75.2	44%	0.438	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-37.4	175.4	0	0	0	0	0	113	R500 H501 M502 D507 E508	R500-A504 PolarHBondContact O-N 3.02Å; R500-A504 VanDerWaalsContact O-N 3.1Å; H501-A504 WeakPolarHBondContact O-CB 3.32Å; H501-A504 PolarHBondContact O-N 2.81Å; M502-A504 VanDerWaalsContact C-N 3.33Å; M502-A504 PolarHBondContact O-N 3.21Å; A504-D507 PolarHBondContact O-N 3.32Å; A504-E508 WeakPolarHBondContact O-CB 3.19Å; A504-E508 PolarHBondContact O-N 3.17Å
505	H	76.9	Confident	71.8	Confident	46 Å²	46	78.1 Å²	78.1	21%	0.213	42%	0.422	C	S	.	.	H	α-helix	trans	-66.1	-37.8	171.7	-77.6	-47.9	0	0	0	112.8	H501 M502 A503 A509	H501-H505 AromaticContact CE1-NE2 3.5Å; H501-H505 PolarHBondContact CE1-NE2 3.33Å; H501-H505 AromaticContact NE2-CD2 3.74Å; H501-H505 AromaticContact NE2-NE2 3.34Å; H501-H505 PolarHBondContact NE2-NE2 3.14Å; H501-H505 PolarHBondContact O-N 3.01Å; M502-H505 PolarHBondContact O-N 3.44Å; A503-H505 VanDerWaalsContact C-N 3.33Å; A503-H505 PolarHBondContact O-N 3.45Å; H505-A509 WeakPolarHBondContact O-CB 3.32Å; H505-A509 PolarHBondContact O-N 3.33Å
506	A	73.4	Confident	70.6	Confident	60 Å²	60	80.4 Å²	80.4	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-40.8	175.1	0	0	0	0	0	112.2	M502 A503 A509 A510	M502-A506 PolarHBondContact O-N 3.13Å; A503-A506 WeakPolarHBondContact O-CB 3.21Å; A503-A506 PolarHBondContact O-N 2.92Å; A503-A506 VanDerWaalsContact O-N 3.09Å; A506-A509 PolarHBondContact O-N 2.74Å; A506-A510 WeakPolarHBondContact O-CB 3.31Å; A506-A510 PolarHBondContact O-N 2.89Å
507	D	77.6	Confident	69.4	Low	115 Å²	115	80.9 Å²	80.9	62%	0.615	43%	0.428	S	S	*	.	H	α-helix	trans	-65.3	-41.1	175.3	-71.1	-30.3	0	0	0	111.5	A503 A504 A510 A511	A503-D507 PolarHBondContact O-N 2.73Å; A504-D507 PolarHBondContact O-N 3.32Å; D507-A510 PolarHBondContact O-N 3.49Å; D507-A511 WeakPolarHBondContact O-CB 3.44Å; D507-A511 PolarHBondContact O-N 3.07Å
508	E	71	Confident	68.2	Low	53 Å²	53	83.9 Å²	83.9	25%	0.248	45%	0.445	C	S	.	.	H	α-helix	trans	-65.6	-40.8	174.7	-170.2	-175.9	-179.7	0	0	111.7	N317 A504 A511 K512	N317-E508 PolarHBondContact ND2-OE1 3.22Å; A504-E508 WeakPolarHBondContact O-CB 3.19Å; A504-E508 PolarHBondContact O-N 3.17Å; E508-A511 PolarHBondContact O-N 3.1Å; E508-K512 VanDerWaalsContact CD-NZ 3.3Å; E508-K512 HydrophobicContact CG-CD 4.35Å; E508-K512 WeakPolarHBondContact O-CG 3.47Å; E508-K512 PolarHBondContact O-N 3.48Å; E508-K512 VanDerWaalsContact OE1-CE 3.3Å; E508-K512 WeakPolarHBondContact OE1-CE 3.42Å; E508-K512 IonicContact OE1-NZ 2.77Å; E508-K512 PolarHBondContact OE1-NZ 3.5Å
509	A	68.8	Low	66.7	Low	59 Å²	59	89.9 Å²	89.9	49%	0.488	47%	0.473	S	S	.	.	H	α-helix	trans	-63.6	-43.1	173.9	0	0	0	0	0	111.7	H505 A506 A511 K512 E513	H505-A509 WeakPolarHBondContact O-CB 3.32Å; H505-A509 PolarHBondContact O-N 3.33Å; A506-A509 PolarHBondContact O-N 2.74Å; A509-A511 VanDerWaalsContact C-N 3.34Å; A509-A511 PolarHBondContact O-N 2.85Å; A509-K512 PolarHBondContact O-N 3.18Å; A509-E513 PolarHBondContact O-N 3.23Å
510	A	72.3	Confident	65.1	Low	61 Å²	61	91.4 Å²	91.4	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-35.7	175.3	0	0	0	0	0	112.5	A506 D507 K514	A506-A510 WeakPolarHBondContact O-CB 3.31Å; A506-A510 PolarHBondContact O-N 2.89Å; D507-A510 PolarHBondContact O-N 3.49Å; A510-K514 WeakPolarHBondContact O-CB 3.47Å; A510-K514 PolarHBondContact O-N 3.5Å
511	A	66.9	Low	63.2	Low	50 Å²	50	86.4 Å²	86.4	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-43.6	173.3	0	0	0	0	0	111.9	D507 E508 A509 K514 Q515	D507-A511 WeakPolarHBondContact O-CB 3.44Å; D507-A511 PolarHBondContact O-N 3.07Å; E508-A511 PolarHBondContact O-N 3.1Å; A509-A511 VanDerWaalsContact C-N 3.34Å; A509-A511 PolarHBondContact O-N 2.85Å; A511-K514 PolarHBondContact O-N 3.32Å; A511-Q515 WeakPolarHBondContact O-CG 3.44Å; A511-Q515 PolarHBondContact O-N 3.43Å
512	K	59.9	Low	61.9	Low	73 Å²	73	91.4 Å²	91.4	32%	0.317	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-40.1	175.4	-73.2	170.8	-174.7	169.3	0	112	E508 A509 Q515 R516	E508-K512 VanDerWaalsContact CD-NZ 3.3Å; E508-K512 HydrophobicContact CG-CD 4.35Å; E508-K512 WeakPolarHBondContact O-CG 3.47Å; E508-K512 PolarHBondContact O-N 3.48Å; E508-K512 VanDerWaalsContact OE1-CE 3.3Å; E508-K512 WeakPolarHBondContact OE1-CE 3.42Å; E508-K512 IonicContact OE1-NZ 2.77Å; E508-K512 PolarHBondContact OE1-NZ 3.5Å; A509-K512 PolarHBondContact O-N 3.18Å; K512-Q515 PolarHBondContact O-N 3.21Å; K512-R516 WeakPolarHBondContact O-CG 3.21Å; K512-R516 PolarHBondContact O-N 3.39Å
513	E	57.2	Low	60.7	Low	92 Å²	92	92.4 Å²	92.4	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-38.9	174.4	-176.5	57.4	-163.6	0	0	111.6	A509 Q515 R516 L517	A509-E513 PolarHBondContact O-N 3.23Å; E513-Q515 VanDerWaalsContact C-N 3.31Å; E513-Q515 PolarHBondContact O-N 2.95Å; E513-R516 CarbonylContact O-C 3.59Å; E513-R516 WeakPolarHBondContact O-CB 3.41Å; E513-R516 PolarHBondContact O-N 2.93Å; E513-L517 HydrophobicContact CG-CD1 4.25Å; E513-L517 HydrophobicContact CG-CG 4.48Å; E513-L517 WeakPolarHBondContact O-CB 3.48Å; E513-L517 VanDerWaalsContact O-CG 3.31Å; E513-L517 WeakPolarHBondContact O-CG 3.27Å; E513-L517 PolarHBondContact O-N 2.72Å
514	K	59.2	Low	59.6	Low	155 Å²	155	93.2 Å²	93.2	67%	0.674	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-35.6	173.7	-168.2	174.9	-177.4	178.9	0	112.5	A510 A511 V518	A510-K514 WeakPolarHBondContact O-CB 3.47Å; A510-K514 PolarHBondContact O-N 3.5Å; A511-K514 PolarHBondContact O-N 3.32Å; K514-V518 WeakPolarHBondContact O-CG2 3.12Å; K514-V518 PolarHBondContact O-N 3.09Å
515	Q	51.5	Low	58.6	Low	128 Å²	128	95.5 Å²	95.5	60%	0.598	50%	0.501	S	S	*	.	H	α-helix	trans	-67.6	-44	170.8	-72.5	172	-12.5	0	0	111.7	A511 K512 E513 L517 V518 H519	A511-Q515 WeakPolarHBondContact O-CG 3.44Å; A511-Q515 PolarHBondContact O-N 3.43Å; K512-Q515 PolarHBondContact O-N 3.21Å; E513-Q515 VanDerWaalsContact C-N 3.31Å; E513-Q515 PolarHBondContact O-N 2.95Å; Q515-L517 VanDerWaalsContact C-N 3.3Å; Q515-L517 PolarHBondContact O-N 3.08Å; Q515-V518 PolarHBondContact O-N 2.88Å; Q515-V518 VanDerWaalsContact O-N 3.14Å; Q515-H519 PolarHBondContact O-CD2 3.15Å; Q515-H519 PolarHBondContact O-N 3.26Å; Q515-H519 VanDerWaalsContact O-N 3.09Å
516	R	50.5	Low	57.8	Low	180 Å²	180	93.9 Å²	93.9	68%	0.679	50%	0.495	S	S	*	.	H	α-helix	trans	-58.1	-41	173.8	-73.8	174.9	178.5	-123	-2.6	112	K512 E513 V518 H519 K520	K512-R516 WeakPolarHBondContact O-CG 3.21Å; K512-R516 PolarHBondContact O-N 3.39Å; E513-R516 CarbonylContact O-C 3.59Å; E513-R516 WeakPolarHBondContact O-CB 3.41Å; E513-R516 PolarHBondContact O-N 2.93Å; R516-V518 VanDerWaalsContact C-N 3.35Å; R516-V518 PolarHBondContact O-N 3.13Å; R516-H519 CarbonylContact O-C 3.57Å; R516-H519 PolarHBondContact O-N 2.84Å; R516-K520 WeakPolarHBondContact O-CB 3.45Å; R516-K520 PolarHBondContact O-N 3.31Å
517	L	52.9	Low	57	Low	92 Å²	92	100.1 Å²	100.1	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-30.3	176.7	-71.2	170.1	0	0	0	113.4	E513 Q515 K520	E513-L517 HydrophobicContact CG-CD1 4.25Å; E513-L517 HydrophobicContact CG-CG 4.48Å; E513-L517 WeakPolarHBondContact O-CB 3.48Å; E513-L517 VanDerWaalsContact O-CG 3.31Å; E513-L517 WeakPolarHBondContact O-CG 3.27Å; E513-L517 PolarHBondContact O-N 2.72Å; Q515-L517 VanDerWaalsContact C-N 3.3Å; Q515-L517 PolarHBondContact O-N 3.08Å; L517-K520 HydrophobicContact CD2-CD 4.06Å; L517-K520 PolarHBondContact O-N 3Å
518	V	50	Low	56.2	Low	107 Å²	107	97.8 Å²	97.8	65%	0.648	50%	0.498	S	S	*	.	H	α-helix	trans	-68.4	-39.9	170.7	170	0	0	0	0	111	K514 Q515 R516	K514-V518 WeakPolarHBondContact O-CG2 3.12Å; K514-V518 PolarHBondContact O-N 3.09Å; Q515-V518 PolarHBondContact O-N 2.88Å; Q515-V518 VanDerWaalsContact O-N 3.14Å; R516-V518 VanDerWaalsContact C-N 3.35Å; R516-V518 PolarHBondContact O-N 3.13Å
519	H	45.4	Very low	55.7	Low	142 Å²	142	97 Å²	97	66%	0.657	50%	0.498	S	S	*	.	H	α-helix	trans	-71.7	-26.6	172.1	-80.5	-86.4	0	0	0	113.5	Q515 R516 A521 E522	Q515-H519 PolarHBondContact O-CD2 3.15Å; Q515-H519 PolarHBondContact O-N 3.26Å; Q515-H519 VanDerWaalsContact O-N 3.09Å; R516-H519 CarbonylContact O-C 3.57Å; R516-H519 PolarHBondContact O-N 2.84Å; H519-A521 PolarHBondContact O-N 2.95Å; H519-E522 PolarHBondContact O-N 3.35Å
520	K	41.5	Very low	55.2	Low	101 Å²	101	100.4 Å²	100.4	44%	0.439	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.8	177.7	-161.5	172.5	-173	178.7	0	113.5	R516 L517 E522 V534	R516-K520 WeakPolarHBondContact O-CB 3.45Å; R516-K520 PolarHBondContact O-N 3.31Å; L517-K520 HydrophobicContact CD2-CD 4.06Å; L517-K520 PolarHBondContact O-N 3Å; K520-E522 PolarHBondContact O-N 3.33Å; K520-V534 HydrophobicContact CG-CG1 3.8Å
521	A	41.2	Very low	54.1	Low	87 Å²	87	102.7 Å²	102.7	72%	0.719	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.1	174.1	0	0	0	0	0	113.4	H519 E523	H519-A521 PolarHBondContact O-N 2.95Å; A521-E523 PolarHBondContact O-N 3.23Å
522	E	49.1	Very low	53.4	Low	152 Å²	152	103.6 Å²	103.6	71%	0.71	52%	0.516	S	S	*	.			trans	-98.6	56.9	174.4	-63.6	-172.9	156	0	0	111.4	H519 K520 M524	H519-E522 PolarHBondContact O-N 3.35Å; K520-E522 PolarHBondContact O-N 3.33Å; E522-M524 PolarHBondContact O-N 3.47Å
523	E	53	Low	53.4	Low	88 Å²	88	102 Å²	102	41%	0.411	51%	0.509	S	S	.	.			trans	-62.5	111.6	168.4	-73.5	-171.1	168	0	0	109.5	A521 H525	A521-E523 PolarHBondContact O-N 3.23Å; E523-H525 PolarHBondContact O-CE1 3Å; E523-H525 PolarHBondContact O-N 3.11Å; E523-H525 PolarHBondContact O-ND1 3.23Å
524	M	55.6	Low	52.9	Low	64 Å²	64	102 Å²	102	32%	0.315	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.2	-177.4	-69.9	-117.5	-90.8	0	0	109.5	E522 F533 S536 F539	E522-M524 PolarHBondContact O-N 3.47Å; M524-F533 PolarHBondContact N-O 3.18Å; M524-F533 PolarHBondContact O-N 3.33Å; M524-S536 WeakPolarHBondContact CE-OG 3.34Å; M524-F539 HydrophobicContact CB-CB 4.18Å; M524-F539 HydrophobicContact CB-CD1 3.93Å; M524-F539 HydrophobicContact CB-CD2 3.89Å; M524-F539 HydrophobicContact CB-CE1 4.22Å; M524-F539 HydrophobicContact CB-CE2 4.19Å; M524-F539 HydrophobicContact CB-CG 3.73Å; M524-F539 HydrophobicContact CB-CZ 4.34Å; M524-F539 HydrophobicContact CE-CB 4.35Å; M524-F539 HydrophobicContact CE-CD1 3.52Å; M524-F539 HydrophobicContact CE-CE1 4.16Å; M524-F539 HydrophobicContact CE-CG 4.21Å; M524-F539 HydrophobicContact SD-CD1 3.99Å; M524-F539 HydrophobicContact SD-CE1 4.09Å
525	H	57.8	Low	52.4	Low	100 Å²	100	97 Å²	97	46%	0.463	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133	-176	-64.9	60.3	0	0	0	110	E523 F527 T532 F539	E523-H525 PolarHBondContact O-CE1 3Å; E523-H525 PolarHBondContact O-N 3.11Å; E523-H525 PolarHBondContact O-ND1 3.23Å; H525-F527 PolarHBondContact O-N 3.48Å; H525-T532 HydrophobicContact CB-CG2 4.44Å; H525-T532 WeakPolarHBondContact CD2-CG2 3.39Å; H525-F539 WeakPolarHBondContact O-CE2 3.45Å; H525-F539 WeakPolarHBondContact O-CZ 3.41Å
526	C	58.3	Low	52.1	Low	12 Å²	12	94 Å²	94	8%	0.081	49%	0.493	C	S	.	.			trans	-74.8	126.8	173.2	-173.3	0	0	0	0	110.1	L528 C529 Q531 F533 F539 H542	C526-L528 VanDerWaalsContact C-N 3.26Å; C526-L528 PolarHBondContact O-N 3.07Å; C526-L528 PolarHBondContact SG-N 3.41Å; C526-C529 CarbonylContact C-O 3.6Å; C526-C529 WeakPolarHBondContact CB-O 3.4Å; C526-Q531 WeakPolarHBondContact CB-O 3.45Å; C526-Q531 PolarHBondContact N-O 2.74Å; C526-F533 HydrophobicContact CB-CE2 4.22Å; C526-F539 HydrophobicContact CB-CE2 4.2Å; C526-H542 VanDerWaalsContact SG-CD2 3.57Å; C526-H542 PolarHBondContact SG-NE2 2.99Å
527	F	57.3	Low	51.9	Low	192 Å²	192	89.2 Å²	89.2	84%	0.842	49%	0.487	S	S	*	.	S	Bend	trans	-79.7	-10	177.4	-57.1	-74.1	0	0	0	113	H525	H525-F527 PolarHBondContact O-N 3.48Å
528	L	61.5	Low	51.6	Low	66 Å²	66	86.8 Å²	86.8	35%	0.346	48%	0.48	S	S	.	.	S	Bend	trans	-102.8	-16.2	-177.5	-59.9	175.8	0	0	0	113.3	C526 H546	C526-L528 VanDerWaalsContact C-N 3.26Å; C526-L528 PolarHBondContact O-N 3.07Å; C526-L528 PolarHBondContact SG-N 3.41Å; L528-H546 HydrophobicContact CD1-CB 3.71Å
529	C	60.3	Low	52.1	Low	36 Å²	36	82.6 Å²	82.6	24%	0.243	45%	0.454	C	S	.	.	S	Bend	trans	-157	159.8	173	75.8	0	0	0	0	110.5	C526 Q531 H542	C526-C529 CarbonylContact C-O 3.6Å; C526-C529 WeakPolarHBondContact CB-O 3.4Å; C529-Q531 PolarHBondContact O-N 3.2Å; C529-H542 PolarHBondContact SG-CE1 3.21Å; C529-H542 PolarHBondContact SG-NE2 2.88Å
530	P	57.4	Low	52.5	Low	130 Å²	130	82.1 Å²	82.1	84%	0.844	45%	0.452	S	S	*	.	S	Bend	trans	-77.2	38.2	-170.6	33.5	-38.1	0	0	0	114.4
531	Q	50.3	Low	53.2	Low	110 Å²	110	81.9 Å²	81.9	51%	0.514	45%	0.454	S	S	.	.			trans	-102.2	137	179.8	-66	-67.1	-8.9	0	0	111	C526 C529 F533	C526-Q531 WeakPolarHBondContact CB-O 3.45Å; C526-Q531 PolarHBondContact N-O 2.74Å; C529-Q531 PolarHBondContact O-N 3.2Å; Q531-F533 HydrophobicContact CB-CE2 3.49Å; Q531-F533 VanDerWaalsContact CB-CE2 3.49Å; Q531-F533 HydrophobicContact CB-CZ 3.71Å
532	T	52.5	Low	54.3	Low	69 Å²	69	79.6 Å²	79.6	42%	0.423	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.7	178.5	61.1	0	0	0	0	110.7	H525	H525-T532 HydrophobicContact CB-CG2 4.44Å; H525-T532 WeakPolarHBondContact CD2-CG2 3.39Å
533	F	58.4	Low	54.8	Low	39 Å²	39	75.1 Å²	75.1	17%	0.171	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.6	-170.8	-63	-91.5	0	0	0	110.5	M524 C526 Q531 S535 A538 F539 H542	M524-F533 PolarHBondContact N-O 3.18Å; M524-F533 PolarHBondContact O-N 3.33Å; C526-F533 HydrophobicContact CB-CE2 4.22Å; Q531-F533 HydrophobicContact CB-CE2 3.49Å; Q531-F533 VanDerWaalsContact CB-CE2 3.49Å; Q531-F533 HydrophobicContact CB-CZ 3.71Å; F533-S535 VanDerWaalsContact C-N 3.34Å; F533-A538 HydrophobicContact CD1-CB 4.24Å; F533-F539 HydrophobicContact CB-CB 3.9Å; F533-F539 HydrophobicContact CB-CD2 4.08Å; F533-F539 HydrophobicContact CB-CG 4.46Å; F533-F539 AromaticContact CD2-CD2 3.63Å; F533-F539 HydrophobicContact CD2-CD2 3.63Å; F533-F539 HydrophobicContact CD2-CE2 4.32Å; F533-F539 HydrophobicContact CE2-CD2 4.42Å; F533-F539 HydrophobicContact CG-CB 4.29Å; F533-F539 HydrophobicContact CG-CD2 4.06Å; F533-H542 HydrophobicContact CD1-CB 4.5Å; F533-H542 HydrophobicContact CE1-CB 3.78Å; F533-H542 AromaticContact CE1-CG 3.97Å; F533-H542 HydrophobicContact CE2-CB 4.05Å; F533-H542 AromaticContact CE2-CD2 3.52Å; F533-H542 AromaticContact CE2-CG 3.61Å; F533-H542 HydrophobicContact CZ-CB 3.53Å; F533-H542 AromaticContact CZ-CD2 3.62Å; F533-H542 AromaticContact CZ-CE1 3.98Å; F533-H542 AromaticContact CZ-CG 3.2Å; F533-H542 AromaticContact CZ-ND1 3.47Å; F533-H542 WeakPolarHBondContact CZ-ND1 3.38Å
534	V	47	Very low	55.1	Low	91 Å²	91	74.5 Å²	74.5	55%	0.552	42%	0.419	S	S	*	.	S	Bend	trans	-90.8	-2.2	-179.8	-155.3	0	0	0	0	111.9	K520	K520-V534 HydrophobicContact CG-CG1 3.8Å
535	S	48.1	Very low	55.2	Low	51 Å²	51	77.3 Å²	77.3	36%	0.357	43%	0.433	S	S	.	.			trans	-128.4	127.7	178.4	168.8	0	0	0	0	110.3	F533 S537 A538 F539	F533-S535 VanDerWaalsContact C-N 3.34Å; S535-S537 VanDerWaalsContact C-N 3.28Å; S535-S537 PolarHBondContact O-N 3.28Å; S535-S537 PolarHBondContact OG-N 3.35Å; S535-S537 PolarHBondContact OG-OG 3.36Å; S535-A538 PolarHBondContact O-N 2.92Å; S535-F539 WeakPolarHBondContact O-CB 3.36Å; S535-F539 PolarHBondContact O-N 3.11Å
536	S	45.3	Very low	55.3	Low	65 Å²	65	74.7 Å²	74.7	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-62.5	-32.6	178.8	-176.4	0	0	0	0	112.8	M524 Q540	M524-S536 WeakPolarHBondContact CE-OG 3.34Å; S536-Q540 WeakPolarHBondContact O-CG 3.48Å; S536-Q540 PolarHBondContact O-N 3.32Å
537	S	46.5	Very low	54.8	Low	80 Å²	80	77.8 Å²	77.8	56%	0.559	44%	0.443	S	S	*	.	H	α-helix	trans	-72.3	-41.7	176.5	52.2	0	0	0	0	111.5	S535 F539 Q540 L541	S535-S537 VanDerWaalsContact C-N 3.28Å; S535-S537 PolarHBondContact O-N 3.28Å; S535-S537 PolarHBondContact OG-N 3.35Å; S535-S537 PolarHBondContact OG-OG 3.36Å; S537-F539 VanDerWaalsContact C-N 3.33Å; S537-F539 PolarHBondContact O-N 3.47Å; S537-Q540 PolarHBondContact O-N 2.99Å; S537-L541 WeakPolarHBondContact O-CG 3.47Å; S537-L541 PolarHBondContact O-N 3.46Å
538	A	47.2	Very low	54.3	Low	41 Å²	41	72.9 Å²	72.9	34%	0.339	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-40	173.2	0	0	0	0	0	111.8	F533 S535 L541 H542	F533-A538 HydrophobicContact CD1-CB 4.24Å; S535-A538 PolarHBondContact O-N 2.92Å; A538-L541 PolarHBondContact O-N 2.91Å; A538-H542 WeakPolarHBondContact O-CB 3.41Å; A538-H542 PolarHBondContact O-N 3.44Å
539	F	59.6	Low	53.6	Low	19 Å²	19	76.6 Å²	76.6	8%	0.083	45%	0.448	C	S	.	.	H	α-helix	trans	-61.5	-45.9	175.2	-175.4	-117.6	0	0	0	112.8	M524 H525 C526 F533 S535 S537 H542 L543	M524-F539 HydrophobicContact CB-CB 4.18Å; M524-F539 HydrophobicContact CB-CD1 3.93Å; M524-F539 HydrophobicContact CB-CD2 3.89Å; M524-F539 HydrophobicContact CB-CE1 4.22Å; M524-F539 HydrophobicContact CB-CE2 4.19Å; M524-F539 HydrophobicContact CB-CG 3.73Å; M524-F539 HydrophobicContact CB-CZ 4.34Å; M524-F539 HydrophobicContact CE-CB 4.35Å; M524-F539 HydrophobicContact CE-CD1 3.52Å; M524-F539 HydrophobicContact CE-CE1 4.16Å; M524-F539 HydrophobicContact CE-CG 4.21Å; M524-F539 HydrophobicContact SD-CD1 3.99Å; M524-F539 HydrophobicContact SD-CE1 4.09Å; H525-F539 WeakPolarHBondContact O-CE2 3.45Å; H525-F539 WeakPolarHBondContact O-CZ 3.41Å; C526-F539 HydrophobicContact CB-CE2 4.2Å; F533-F539 HydrophobicContact CB-CB 3.9Å; F533-F539 HydrophobicContact CB-CD2 4.08Å; F533-F539 HydrophobicContact CB-CG 4.46Å; F533-F539 AromaticContact CD2-CD2 3.63Å; F533-F539 HydrophobicContact CD2-CD2 3.63Å; F533-F539 HydrophobicContact CD2-CE2 4.32Å; F533-F539 HydrophobicContact CE2-CD2 4.42Å; F533-F539 HydrophobicContact CG-CB 4.29Å; F533-F539 HydrophobicContact CG-CD2 4.06Å; S535-F539 WeakPolarHBondContact O-CB 3.36Å; S535-F539 PolarHBondContact O-N 3.11Å; S537-F539 VanDerWaalsContact C-N 3.33Å; S537-F539 PolarHBondContact O-N 3.47Å; F539-H542 PolarHBondContact O-N 3.07Å; F539-L543 HydrophobicContact CD1-CD1 3.84Å; F539-L543 HydrophobicContact CE1-CD1 3.46Å; F539-L543 VanDerWaalsContact CE1-CD1 3.46Å; F539-L543 HydrophobicContact CE1-CG 4.33Å; F539-L543 HydrophobicContact CE2-CD1 4.4Å; F539-L543 HydrophobicContact CE2-CG 4.44Å; F539-L543 HydrophobicContact CG-CD1 4.49Å; F539-L543 HydrophobicContact CZ-CD1 3.78Å; F539-L543 HydrophobicContact CZ-CG 4.24Å; F539-L543 WeakPolarHBondContact O-CG 3.36Å; F539-L543 PolarHBondContact O-N 2.89Å
540	Q	53.7	Low	52.9	Low	132 Å²	132	77.6 Å²	77.6	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-68.6	-36.6	178	-73.1	-167.7	6.9	0	0	112.9	S536 S537 H542 L543 A544	S536-Q540 WeakPolarHBondContact O-CG 3.48Å; S536-Q540 PolarHBondContact O-N 3.32Å; S537-Q540 PolarHBondContact O-N 2.99Å; Q540-H542 VanDerWaalsContact C-N 3.35Å; Q540-L543 PolarHBondContact O-N 3.01Å; Q540-A544 PolarHBondContact O-N 3.4Å
541	L	57.5	Low	52.3	Low	95 Å²	95	76.8 Å²	76.8	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-40.4	172.3	-72.7	169.8	0	0	0	111.6	S537 A538 A544 M545	S537-L541 WeakPolarHBondContact O-CG 3.47Å; S537-L541 PolarHBondContact O-N 3.46Å; A538-L541 PolarHBondContact O-N 2.91Å; L541-A544 PolarHBondContact O-N 3.36Å; L541-M545 PolarHBondContact O-N 3.46Å
542	H	64.8	Low	52.1	Low	40 Å²	40	78 Å²	78	19%	0.185	45%	0.452	C	S	.	.	H	α-helix	trans	-64.3	-44.9	173.7	175.2	75.9	0	0	0	112.5	C526 C529 F533 A538 F539 Q540 A544 M545 H546	C526-H542 VanDerWaalsContact SG-CD2 3.57Å; C526-H542 PolarHBondContact SG-NE2 2.99Å; C529-H542 PolarHBondContact SG-CE1 3.21Å; C529-H542 PolarHBondContact SG-NE2 2.88Å; F533-H542 HydrophobicContact CD1-CB 4.5Å; F533-H542 HydrophobicContact CE1-CB 3.78Å; F533-H542 AromaticContact CE1-CG 3.97Å; F533-H542 HydrophobicContact CE2-CB 4.05Å; F533-H542 AromaticContact CE2-CD2 3.52Å; F533-H542 AromaticContact CE2-CG 3.61Å; F533-H542 HydrophobicContact CZ-CB 3.53Å; F533-H542 AromaticContact CZ-CD2 3.62Å; F533-H542 AromaticContact CZ-CE1 3.98Å; F533-H542 AromaticContact CZ-CG 3.2Å; F533-H542 AromaticContact CZ-ND1 3.47Å; F533-H542 WeakPolarHBondContact CZ-ND1 3.38Å; A538-H542 WeakPolarHBondContact O-CB 3.41Å; A538-H542 PolarHBondContact O-N 3.44Å; F539-H542 PolarHBondContact O-N 3.07Å; Q540-H542 VanDerWaalsContact C-N 3.35Å; H542-A544 PolarHBondContact O-N 3.04Å; H542-M545 WeakPolarHBondContact O-CB 3.47Å; H542-M545 PolarHBondContact O-N 3.2Å; H542-H546 AromaticContact CD2-NE2 3.86Å; H542-H546 AromaticContact CE1-NE2 3.59Å; H542-H546 AromaticContact NE2-CD2 3.84Å; H542-H546 AromaticContact NE2-NE2 3.05Å; H542-H546 PolarHBondContact NE2-NE2 3.5Å; H542-H546 PolarHBondContact O-CD2 3.25Å
543	L	58.5	Low	51.6	Low	58 Å²	58	81.3 Å²	81.3	30%	0.304	47%	0.467	S	S	.	.	H	α-helix	trans	-58.8	-36.9	175.4	-78.8	171.4	0	0	0	112.2	F539 Q540 M545 H546	F539-L543 HydrophobicContact CD1-CD1 3.84Å; F539-L543 HydrophobicContact CE1-CD1 3.46Å; F539-L543 VanDerWaalsContact CE1-CD1 3.46Å; F539-L543 HydrophobicContact CE1-CG 4.33Å; F539-L543 HydrophobicContact CE2-CD1 4.4Å; F539-L543 HydrophobicContact CE2-CG 4.44Å; F539-L543 HydrophobicContact CG-CD1 4.49Å; F539-L543 HydrophobicContact CZ-CD1 3.78Å; F539-L543 HydrophobicContact CZ-CG 4.24Å; F539-L543 WeakPolarHBondContact O-CG 3.36Å; F539-L543 PolarHBondContact O-N 2.89Å; Q540-L543 PolarHBondContact O-N 3.01Å; L543-M545 PolarHBondContact O-N 2.88Å; L543-H546 PolarHBondContact O-N 2.9Å
544	A	60.5	Low	50.9	Low	74 Å²	74	84.8 Å²	84.8	61%	0.612	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.8	176.2	0	0	0	0	0	114.5	Q540 L541 H542	Q540-A544 PolarHBondContact O-N 3.4Å; L541-A544 PolarHBondContact O-N 3.36Å; H542-A544 PolarHBondContact O-N 3.04Å
545	M	55.8	Low	50.5	Low	124 Å²	124	83.7 Å²	83.7	61%	0.611	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-19	173.4	-66.5	-65.2	-68.9	0	0	113	L541 H542 L543 S547 W589	L541-M545 PolarHBondContact O-N 3.46Å; H542-M545 WeakPolarHBondContact O-CB 3.47Å; H542-M545 PolarHBondContact O-N 3.2Å; L543-M545 PolarHBondContact O-N 2.88Å; M545-S547 PolarHBondContact O-N 3.26Å; M545-W589 HydrophobicContact SD-CH2 3.58Å; M545-W589 VanDerWaalsContact SD-CH2 3.58Å; M545-W589 HydrophobicContact SD-CZ2 3.79Å
546	H	61.1	Low	50.2	Low	44 Å²	44	89.1 Å²	89.1	20%	0.204	52%	0.518	C	S	.	.	S	Bend	trans	-75.3	105.7	167.1	-65.1	-84.5	0	0	0	107.8	L528 H542 L543	L528-H546 HydrophobicContact CD1-CB 3.71Å; H542-H546 AromaticContact CD2-NE2 3.86Å; H542-H546 AromaticContact CE1-NE2 3.59Å; H542-H546 AromaticContact NE2-CD2 3.84Å; H542-H546 AromaticContact NE2-NE2 3.05Å; H542-H546 PolarHBondContact NE2-NE2 3.5Å; H542-H546 PolarHBondContact O-CD2 3.25Å; L543-H546 PolarHBondContact O-N 2.9Å
547	S	47.5	Very low	50	Low	78 Å²	78	89.5 Å²	89.5	55%	0.545	53%	0.532	S	S	.	.			trans	-59.3	151.3	-170.4	60.8	0	0	0	0	112.5	M545 E549 S550	M545-S547 PolarHBondContact O-N 3.26Å; S547-E549 PolarHBondContact O-N 3.3Å; S547-S550 PolarHBondContact O-N 3.46Å
548	S	47.4	Very low	49.3	Very low	89 Å²	89	94.6 Å²	94.6	62%	0.622	55%	0.55	S	S	*	.	H	α-helix	trans	-56.8	-15.7	-170.2	48.3	0	0	0	0	115.7	I552	S548-I552 WeakPolarHBondContact O-CD1 3.39Å; S548-I552 VanDerWaalsContact O-CG1 3.27Å; S548-I552 WeakPolarHBondContact O-CG1 3.48Å; S548-I552 PolarHBondContact O-N 3.11Å
549	E	46.7	Very low	48.7	Very low	144 Å²	144	97.2 Å²	97.2	67%	0.673	57%	0.571	S	S	*	*	H	α-helix	trans	-74.3	-23.7	176.6	-62.7	-173.7	151.5	0	0	113.1	S547 N553	S547-E549 PolarHBondContact O-N 3.3Å; E549-N553 PolarHBondContact O-ND2 3.06Å
550	S	44.1	Very low	47.3	Very low	56 Å²	56	104 Å²	104	39%	0.392	61%	0.606	S	S	.	*	H	α-helix	trans	-79.8	-35.1	-179.9	-157.6	0	0	0	0	112.8	S547	S547-S550 PolarHBondContact O-N 3.46Å
551	L	46.2	Very low	46.1	Very low	113 Å²	113	101 Å²	101	59%	0.592	61%	0.61	S	S	*	*	H	α-helix	trans	-76.9	-30	178	-72.8	169.4	0	0	0	113.3
552	I	45.5	Very low	44.5	Very low	135 Å²	135	105.8 Å²	105.8	69%	0.692	63%	0.628	S	S	*	*	H	α-helix	trans	-72.4	-34.9	177	-65.8	169.8	0	0	0	111.1	S548 L554	S548-I552 WeakPolarHBondContact O-CD1 3.39Å; S548-I552 VanDerWaalsContact O-CG1 3.27Å; S548-I552 WeakPolarHBondContact O-CG1 3.48Å; S548-I552 PolarHBondContact O-N 3.11Å; I552-L554 VanDerWaalsContact C-N 3.28Å; I552-L554 PolarHBondContact O-N 3.33Å
553	N	42.1	Very low	42.7	Very low	139 Å²	139	109.6 Å²	109.6	74%	0.743	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-4.4	-178.2	-81.3	-53.9	0	0	0	115.1	E549	E549-N553 PolarHBondContact O-ND2 3.06Å
554	L	44.4	Very low	41.2	Very low	112 Å²	112	113.4 Å²	113.4	59%	0.586	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	2.7	-177.9	-89.5	161.7	0	0	0	115.3	I552 L556	I552-L554 VanDerWaalsContact C-N 3.28Å; I552-L554 PolarHBondContact O-N 3.33Å; L554-L556 PolarHBondContact O-N 2.96Å
555	G	38.9	Very low	39.6	Very low	68 Å²	68	115.9 Å²	115.9	70%	0.701	69%	0.694	S	S	*	*			trans	64.5	13.5	161.2	0	0	0	0	0	117.6	G557	G555-G557 PolarHBondContact O-N 2.95Å
556	L	41	Very low	38.3	Very low	165 Å²	165	117.4 Å²	117.4	86%	0.864	70%	0.7	S	S	*	*			trans	-84.9	59.3	-178.7	-79.6	162.4	0	0	0	112.8	L554	L554-L556 PolarHBondContact O-N 2.96Å
557	G	40.4	Very low	36.7	Very low	73 Å²	73	123 Å²	123	75%	0.753	72%	0.723	S	S	*	*			trans	-103.2	80.2	166.5	0	0	0	0	0	111.3	G555	G555-G557 PolarHBondContact O-N 2.95Å
558	M	32.6	Very low	35.6	Very low	188 Å²	188	127.9 Å²	127.9	93%	0.926	74%	0.742	S	S	*	*			trans	-137.9	145.6	173.7	-87.7	-87.7	173	0	0	111.2
559	A	35.2	Very low	34.5	Very low	95 Å²	95	127.1 Å²	127.1	79%	0.785	75%	0.749	S	S	*	*			trans	-85.1	153.4	-167	0	0	0	0	0	113.9
560	I	30.2	Very low	33.4	Very low	162 Å²	162	129.8 Å²	129.8	83%	0.831	76%	0.758	S	S	*	*			trans	-128.2	106.7	151.3	-50.9	178.5	0	0	0	106.7
561	G	27.5	Very low	32.8	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	78%	0.779	S	S	*	*			trans	-92.9	145.7	174.8	0	0	0	0	0	111.3
562	F	25.1	Very low	31.7	Very low	197 Å²	197	133 Å²	133	86%	0.864	79%	0.787	S	S	*	*			trans	-113.5	133.7	154.3	-94.5	-88.4	0	0	0	108.8
563	S	26.3	Very low	30.8	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	80%	0.796	S	S	*	*			trans	-86.4	143.9	-168.7	32.2	0	0	0	0	112.8
564	V	26.1	Very low	30	Very low	137 Å²	137	130.2 Å²	130.2	83%	0.83	80%	0.804	S	S	*	*			trans	-122.9	134.7	166.7	-178.7	0	0	0	0	106.9
565	P	28.1	Very low	29.1	Very low	126 Å²	126	128.3 Å²	128.3	82%	0.818	81%	0.811	S	S	*	*			trans	-76.2	167.8	-166.4	29.9	-36.1	0	0	0	114.7
566	E	27.8	Very low	28.6	Very low	156 Å²	156	134 Å²	134	73%	0.729	82%	0.82	S	S	*	*			trans	-70.8	166.4	-168.8	-49.5	176.4	90.3	0	0	116.7
567	K	27.7	Very low	27.8	Very low	161 Å²	161	133.3 Å²	133.3	70%	0.7	82%	0.817	S	S	*	*			trans	103.5	134.2	139.1	-86.8	159.1	-175.8	137.2	0	120.2
568	L	25.4	Very low	27.3	Very low	181 Å²	181	135.7 Å²	135.7	95%	0.948	82%	0.822	S	S	*	*			trans	90.5	117.9	171.4	-53.4	170.7	0	0	0	113.6
569	G	24.1	Very low	27	Very low	73 Å²	73	133 Å²	133	75%	0.753	82%	0.817	S	S	*	*			cis	171.7	148	3.3	0	0	0	0	0	108.8
570	F	23.9	Very low	26.9	Very low	200 Å²	200	133.5 Å²	133.5	88%	0.877	82%	0.82	S	S	*	*			trans	-63.6	165.3	-180	-82.4	-81.6	0	0	0	113.2
571	P	30.4	Very low	26.8	Very low	126 Å²	126	131.8 Å²	131.8	82%	0.818	82%	0.817	S	S	*	*			cis	-144.1	176.9	33.7	42.1	-21.5	0	0	0	119.4
572	S	23.6	Very low	26.9	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	82%	0.82	S	S	*	*			trans	-69.3	151.8	179.3	-46.3	0	0	0	0	115.9
573	A	25.2	Very low	27.1	Very low	106 Å²	106	128.7 Å²	128.7	88%	0.876	82%	0.821	S	S	*	*			trans	-141.9	141.2	137.8	0	0	0	0	0	108.9
574	A	26.7	Very low	27.3	Very low	110 Å²	110	125.7 Å²	125.7	91%	0.909	81%	0.809	S	S	*	*			trans	-95.2	155.9	-169.5	0	0	0	0	0	113.3
575	G	25.3	Very low	27.8	Very low	72 Å²	72	127.4 Å²	127.4	74%	0.742	81%	0.812	S	S	*	*			trans	168.5	73.7	170.6	0	0	0	0	0	118.1
576	Q	28.6	Very low	28.3	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.874	82%	0.815	S	S	*	*			trans	66.7	113.5	148.1	-63.9	174.5	-16.4	0	0	121.3
577	D	24.3	Very low	29.1	Very low	151 Å²	151	127.3 Å²	127.3	81%	0.807	80%	0.804	S	S	*	*			trans	48	90	133.7	-59.1	-9.5	0	0	0	121.1
578	S	29.9	Very low	30.2	Very low	122 Å²	122	128.3 Å²	128.3	85%	0.853	81%	0.808	S	S	*	*			trans	-158.3	96.8	132.6	-80.9	0	0	0	0	109.5	A580	S578-A580 PolarHBondContact O-N 2.75Å
579	T	26.7	Very low	32.1	Very low	133 Å²	133	124.5 Å²	124.5	82%	0.816	78%	0.781	S	S	*	*			trans	-72.2	94.7	-178.2	32.8	0	0	0	0	111.9	V581	T579-V581 PolarHBondContact O-N 3.48Å
580	A	32.3	Very low	34	Very low	104 Å²	104	125.2 Å²	125.2	86%	0.86	76%	0.762	S	S	*	*			trans	-64.2	100.3	163.3	0	0	0	0	0	109.9	S578	S578-A580 PolarHBondContact O-N 2.75Å
581	V	28.3	Very low	35.7	Very low	127 Å²	127	122.8 Å²	122.8	77%	0.77	75%	0.747	S	S	*	*			trans	-94.6	112	174.2	179.1	0	0	0	0	109.8	T579	T579-V581 PolarHBondContact O-N 3.48Å
582	A	28.6	Very low	37.1	Very low	91 Å²	91	116.9 Å²	116.9	75%	0.752	71%	0.708	S	S	*	*			trans	29.7	94.5	157.3	0	0	0	0	0	117.1	G584	A582-G584 PolarHBondContact O-N 2.92Å
583	A	29.8	Very low	38.8	Very low	108 Å²	108	123.2 Å²	123.2	89%	0.893	72%	0.715	S	S	*	*			trans	-72.6	74	167.9	0	0	0	0	0	111.7
584	G	30.9	Very low	40	Very low	58 Å²	58	125.8 Å²	125.8	60%	0.598	70%	0.703	S	S	*	*			trans	-65.9	131	164.7	0	0	0	0	0	110.6	A582 R586	A582-G584 PolarHBondContact O-N 2.92Å; G584-R586 PolarHBondContact O-N 2.89Å
585	I	36.8	Very low	41.3	Very low	173 Å²	173	123.2 Å²	123.2	89%	0.887	68%	0.678	S	S	*	*			trans	-63.3	106.1	-177.3	-60.6	172.5	0	0	0	109.4
586	R	37.8	Very low	42.4	Very low	231 Å²	231	121.7 Å²	121.7	87%	0.872	66%	0.662	S	S	*	*			trans	-90.7	110.7	169.7	-86.1	-176.6	-83.1	-138.6	-5	109.3	G584 K588	G584-R586 PolarHBondContact O-N 2.89Å; R586-K588 PolarHBondContact O-N 3.07Å
587	G	44.4	Very low	43.8	Very low	48 Å²	48	117 Å²	117	50%	0.495	64%	0.639	S	S	.	*			trans	-52.6	123.1	164.7	0	0	0	0	0	110.1	W589	G587-W589 VanDerWaalsContact O-CD1 3.29Å; G587-W589 PolarHBondContact O-N 2.98Å
588	K	51.1	Low	45.5	Very low	182 Å²	182	116.1 Å²	116.1	79%	0.791	62%	0.624	S	S	*	*			trans	-79.5	103.6	-178.5	-100	177.7	174.9	174.4	0	109.4	R586	R586-K588 PolarHBondContact O-N 3.07Å
589	W	65.9	Low	47.1	Very low	102 Å²	102	112 Å²	112	39%	0.386	59%	0.591	S	S	.	*			trans	-78.9	131.7	168.6	-63.8	77.4	0	0	0	110.1	M545 G587 R591 R598 A600	M545-W589 HydrophobicContact SD-CH2 3.58Å; M545-W589 VanDerWaalsContact SD-CH2 3.58Å; M545-W589 HydrophobicContact SD-CZ2 3.79Å; G587-W589 VanDerWaalsContact O-CD1 3.29Å; G587-W589 PolarHBondContact O-N 2.98Å; W589-R591 PolarHBondContact O-N 2.95Å; W589-R598 HydrophobicContact CE3-CB 4.48Å; W589-R598 VanDerWaalsContact CG-NH2 3.29Å; W589-A600 HydrophobicContact CZ3-CB 4.29Å
590	Y	62.6	Low	48.5	Very low	88 Å²	88	108 Å²	108	35%	0.345	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.3	119.4	174.4	-61.8	-82.4	0	0	0	109.7	R598 F599 F605	Y590-R598 CarbonylContact O-C 3.58Å; Y590-R598 WeakPolarHBondContact O-CA 3.37Å; Y590-F599 PolarHBondContact N-O 3.16Å; Y590-F599 PolarHBondContact O-N 3.09Å; Y590-F605 VanDerWaalsContact CB-CG 3.44Å; Y590-F605 AromaticContact CD1-CD1 3.85Å; Y590-F605 HydrophobicContact CD1-CD1 3.85Å; Y590-F605 HydrophobicContact CD1-CE1 4.31Å; Y590-F605 HydrophobicContact CD1-CG 4.48Å; Y590-F605 HydrophobicContact CG-CB 4.15Å; Y590-F605 AromaticContact CG-CD1 3.99Å; Y590-F605 HydrophobicContact CG-CD1 3.99Å; Y590-F605 HydrophobicContact CG-CG 4.17Å
591	R	61.3	Low	50.2	Low	149 Å²	149	107.7 Å²	107.7	56%	0.562	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110	125.9	-179	-173.4	-171.7	-70	-158.6	-1.8	110.9	W589 R593 K597 R598	W589-R591 PolarHBondContact O-N 2.95Å; R591-R593 PolarHBondContact O-N 3.37Å; R591-K597 WeakPolarHBondContact CA-O 3.44Å; R591-R598 HydrophobicContact CB-CG 4.43Å; R591-R598 HydrophobicContact CG-CG 4.21Å
592	C	59.2	Low	51.8	Low	1 Å²	1	102.7 Å²	102.7	1%	0.007	52%	0.523	C	S	.	.			trans	-66.8	124.1	169.7	-172.6	0	0	0	0	111.4	Y594 C595 G596 K597 F599 F605 H608 H612	C592-Y594 VanDerWaalsContact C-N 3.28Å; C592-Y594 PolarHBondContact SG-N 3.29Å; C592-Y594 VanDerWaalsContact SG-N 3.39Å; C592-C595 VanDerWaalsContact SG-SG 3.69Å; C592-G596 WeakPolarHBondContact O-CA 3.27Å; C592-G596 PolarHBondContact O-N 3.35Å; C592-K597 PolarHBondContact N-O 3.45Å; C592-F599 HydrophobicContact CB-CE2 4.47Å; C592-F605 HydrophobicContact CB-CE2 4.14Å; C592-H608 VanDerWaalsContact CB-NE2 3.32Å; C592-H608 WeakPolarHBondContact CB-NE2 3.32Å; C592-H608 PolarHBondContact SG-NE2 3.27Å; C592-H612 PolarHBondContact SG-CD2 3.28Å
593	R	58.8	Low	53.4	Low	244 Å²	244	99 Å²	99	92%	0.921	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.6	176.1	-63.8	-175.9	-178.9	-177.7	1.5	112.8	R591	R591-R593 PolarHBondContact O-N 3.37Å
594	Y	50.5	Low	54.8	Low	161 Å²	161	97.4 Å²	97.4	63%	0.631	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-38.6	-177.6	-59.1	-77.9	0	0	0	113.4	C592 L609 H612	C592-Y594 VanDerWaalsContact C-N 3.28Å; C592-Y594 PolarHBondContact SG-N 3.29Å; C592-Y594 VanDerWaalsContact SG-N 3.39Å; Y594-L609 HydrophobicContact CD2-CD2 4.04Å; Y594-L609 HydrophobicContact CE2-CD2 4.08Å; Y594-H612 HydrophobicContact CD2-CB 3.82Å; Y594-H612 AromaticContact CD2-CG 3.93Å; Y594-H612 HydrophobicContact CE2-CB 4.33Å; Y594-H612 HydrophobicContact CG-CB 4.04Å; Y594-H612 AromaticContact CG-CG 3.91Å
595	C	53.8	Low	56.5	Low	56 Å²	56	96.3 Å²	96.3	38%	0.378	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	3.4	-179	69.4	0	0	0	0	115.1	C592 K597 H608 H612	C592-C595 VanDerWaalsContact SG-SG 3.69Å; C595-K597 PolarHBondContact O-N 2.99Å; C595-H608 PolarHBondContact SG-CE1 2.94Å; C595-H608 PolarHBondContact SG-NE2 2.65Å; C595-H612 PolarHBondContact SG-NE2 2.88Å; C595-H612 VanDerWaalsContact SG-NE2 3.38Å
596	G	49.1	Very low	57.8	Low	40 Å²	40	91 Å²	91	41%	0.412	42%	0.422	S	S	.	.			trans	74.7	-11.8	177.5	0	0	0	0	0	116.2	C592	C592-G596 WeakPolarHBondContact O-CA 3.27Å; C592-G596 PolarHBondContact O-N 3.35Å
597	K	57.2	Low	59.1	Low	87 Å²	87	83.1 Å²	83.1	38%	0.378	39%	0.392	S	S	.	.			trans	-55.5	143.9	179.3	-68	-168.6	178.8	-164.2	0	111.6	R591 C592 C595 F599	R591-K597 WeakPolarHBondContact CA-O 3.44Å; C592-K597 PolarHBondContact N-O 3.45Å; C595-K597 PolarHBondContact O-N 2.99Å; K597-F599 HydrophobicContact CB-CE2 3.77Å; K597-F599 HydrophobicContact CB-CZ 3.87Å
598	R	60.7	Low	60.1	Low	134 Å²	134	81.7 Å²	81.7	51%	0.506	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.7	-175.7	-61.7	179.5	69.7	155.5	-2.6	109.6	W589 Y590 R591	W589-R598 HydrophobicContact CE3-CB 4.48Å; W589-R598 VanDerWaalsContact CG-NH2 3.29Å; Y590-R598 CarbonylContact O-C 3.58Å; Y590-R598 WeakPolarHBondContact O-CA 3.37Å; R591-R598 HydrophobicContact CB-CG 4.43Å; R591-R598 HydrophobicContact CG-CG 4.21Å
599	F	63.4	Low	60.5	Low	36 Å²	36	75.1 Å²	75.1	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.4	-177.7	-57.4	-88.7	0	0	0	108.8	Y590 C592 K597 E604 F605 H608	Y590-F599 PolarHBondContact N-O 3.16Å; Y590-F599 PolarHBondContact O-N 3.09Å; C592-F599 HydrophobicContact CB-CE2 4.47Å; K597-F599 HydrophobicContact CB-CE2 3.77Å; K597-F599 HydrophobicContact CB-CZ 3.87Å; F599-E604 HydrophobicContact CB-CB 4.34Å; F599-E604 HydrophobicContact CD1-CB 3.91Å; F599-E604 HydrophobicContact CG-CB 4.43Å; F599-F605 HydrophobicContact CB-CB 4.04Å; F599-F605 HydrophobicContact CD2-CB 4.22Å; F599-F605 AromaticContact CD2-CD2 3.76Å; F599-F605 HydrophobicContact CD2-CD2 3.76Å; F599-F605 HydrophobicContact CD2-CG 4.47Å; F599-F605 HydrophobicContact CE2-CD2 4.28Å; F599-F605 HydrophobicContact CG-CB 4.23Å; F599-H608 HydrophobicContact CE1-CB 4Å; F599-H608 HydrophobicContact CE2-CB 4.03Å; F599-H608 AromaticContact CE2-CD2 3.32Å; F599-H608 WeakPolarHBondContact CE2-CD2 3.43Å; F599-H608 AromaticContact CE2-CG 3.6Å; F599-H608 AromaticContact CE2-NE2 3.9Å; F599-H608 HydrophobicContact CZ-CB 3.59Å; F599-H608 AromaticContact CZ-CD2 3.48Å; F599-H608 VanDerWaalsContact CZ-CD2 3.48Å; F599-H608 WeakPolarHBondContact CZ-CD2 3.39Å; F599-H608 AromaticContact CZ-CG 3.24Å; F599-H608 AromaticContact CZ-ND1 3.66Å; F599-H608 AromaticContact CZ-NE2 3.99Å
600	A	57	Low	60.5	Low	49 Å²	49	72 Å²	72	41%	0.405	34%	0.335	S	S	.	.	S	Bend	trans	-79.3	-32.1	176	0	0	0	0	0	111	W589	W589-A600 HydrophobicContact CZ3-CB 4.29Å
601	H	66	Low	60.4	Low	96 Å²	96	72 Å²	72	44%	0.444	34%	0.339	S	S	.	.	S	Bend	trans	-113.5	149.4	-174.4	-55.5	-88.3	0	0	0	112.7	E604 F605	H601-E604 HydrophobicContact CB-CG 4.17Å; H601-E604 IonicContact CD2-OE2 2.64Å; H601-F605 WeakPolarHBondContact O-CB 3.22Å; H601-F605 PolarHBondContact O-N 3Å
602	S	63.6	Low	59.9	Low	23 Å²	23	68.5 Å²	68.5	16%	0.161	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-42.9	178.6	19.6	0	0	0	0	112.5	D307 F605 T606	D307-S602 WeakPolarHBondContact OD2-CB 3.14Å; D307-S602 PolarHBondContact OD2-OG 3.4Å; S602-F605 WeakPolarHBondContact O-CB 3.46Å; S602-F605 PolarHBondContact O-N 2.69Å; S602-T606 WeakPolarHBondContact O-CB 3.19Å; S602-T606 PolarHBondContact O-N 3.24Å; S602-T606 PolarHBondContact O-OG1 2.83Å
603	G	62	Low	59.5	Low	12 Å²	12	71.7 Å²	71.7	12%	0.124	35%	0.349	C	S	.	.	H	α-helix	trans	-61.3	-51.4	177.8	0	0	0	0	0	112.7	F605 T606 Y607	G603-F605 VanDerWaalsContact C-N 3.29Å; G603-F605 PolarHBondContact O-N 3.22Å; G603-T606 PolarHBondContact O-N 2.99Å; G603-T606 VanDerWaalsContact O-N 3.13Å; G603-Y607 WeakPolarHBondContact O-CB 3.49Å; G603-Y607 PolarHBondContact O-N 3.24Å
604	E	59.5	Low	59.1	Low	75 Å²	75	61.8 Å²	61.8	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-55.5	-45	175.2	-64.3	-179.1	153.9	0	0	112	F599 H601 H608	F599-E604 HydrophobicContact CB-CB 4.34Å; F599-E604 HydrophobicContact CD1-CB 3.91Å; F599-E604 HydrophobicContact CG-CB 4.43Å; H601-E604 HydrophobicContact CB-CG 4.17Å; H601-E604 IonicContact CD2-OE2 2.64Å; E604-H608 WeakPolarHBondContact O-CB 3.43Å; E604-H608 PolarHBondContact O-N 3.47Å
605	F	65.8	Low	59.3	Low	36 Å²	36	59.7 Å²	59.7	16%	0.158	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-43.6	177.9	176.3	-125.1	0	0	0	112.1	Y590 C592 F599 H601 S602 G603 H608 L609	Y590-F605 VanDerWaalsContact CB-CG 3.44Å; Y590-F605 AromaticContact CD1-CD1 3.85Å; Y590-F605 HydrophobicContact CD1-CD1 3.85Å; Y590-F605 HydrophobicContact CD1-CE1 4.31Å; Y590-F605 HydrophobicContact CD1-CG 4.48Å; Y590-F605 HydrophobicContact CG-CB 4.15Å; Y590-F605 AromaticContact CG-CD1 3.99Å; Y590-F605 HydrophobicContact CG-CD1 3.99Å; Y590-F605 HydrophobicContact CG-CG 4.17Å; C592-F605 HydrophobicContact CB-CE2 4.14Å; F599-F605 HydrophobicContact CB-CB 4.04Å; F599-F605 HydrophobicContact CD2-CB 4.22Å; F599-F605 AromaticContact CD2-CD2 3.76Å; F599-F605 HydrophobicContact CD2-CD2 3.76Å; F599-F605 HydrophobicContact CD2-CG 4.47Å; F599-F605 HydrophobicContact CE2-CD2 4.28Å; F599-F605 HydrophobicContact CG-CB 4.23Å; H601-F605 WeakPolarHBondContact O-CB 3.22Å; H601-F605 PolarHBondContact O-N 3Å; S602-F605 WeakPolarHBondContact O-CB 3.46Å; S602-F605 PolarHBondContact O-N 2.69Å; G603-F605 VanDerWaalsContact C-N 3.29Å; G603-F605 PolarHBondContact O-N 3.22Å; F605-H608 PolarHBondContact O-N 3.29Å; F605-L609 HydrophobicContact CD1-CD1 4.18Å; F605-L609 HydrophobicContact CD2-CG 4.36Å; F605-L609 HydrophobicContact CE1-CD1 3.68Å; F605-L609 HydrophobicContact CE1-CG 4.41Å; F605-L609 HydrophobicContact CE2-CD1 4.09Å; F605-L609 HydrophobicContact CE2-CD2 4.08Å; F605-L609 HydrophobicContact CE2-CG 3.94Å; F605-L609 HydrophobicContact CZ-CD1 3.63Å; F605-L609 HydrophobicContact CZ-CD2 4.16Å; F605-L609 HydrophobicContact CZ-CG 4Å; F605-L609 WeakPolarHBondContact O-CG 3.39Å; F605-L609 PolarHBondContact O-N 2.98Å
606	T	65.1	Low	60.1	Low	60 Å²	60	60 Å²	60	37%	0.368	31%	0.314	S	S	.	.	H	α-helix	trans	-68.9	-44	-179.7	-58.4	0	0	0	0	111.3	S602 G603 H608 L609 R610	S602-T606 WeakPolarHBondContact O-CB 3.19Å; S602-T606 PolarHBondContact O-N 3.24Å; S602-T606 PolarHBondContact O-OG1 2.83Å; G603-T606 PolarHBondContact O-N 2.99Å; G603-T606 VanDerWaalsContact O-N 3.13Å; T606-H608 VanDerWaalsContact C-N 3.31Å; T606-H608 PolarHBondContact O-N 2.81Å; T606-L609 WeakPolarHBondContact O-CB 3.38Å; T606-L609 PolarHBondContact O-N 2.97Å; T606-L609 VanDerWaalsContact O-N 3.17Å; T606-R610 WeakPolarHBondContact O-CG 3.25Å; T606-R610 PolarHBondContact O-N 3.02Å; T606-R610 VanDerWaalsContact O-N 3.11Å
607	Y	64	Low	60.9	Low	66 Å²	66	61.8 Å²	61.8	26%	0.259	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-42.5	171.6	176.4	-98.2	0	0	0	111.8	G603 R610 R628	G603-Y607 WeakPolarHBondContact O-CB 3.49Å; G603-Y607 PolarHBondContact O-N 3.24Å; Y607-R610 WeakPolarHBondContact O-CB 3.35Å; Y607-R610 PolarHBondContact O-N 3.34Å; Y607-R628 HydrophobicContact CE2-CB 3.87Å
608	H	66.3	Low	61.1	Low	19 Å²	19	60.4 Å²	60.4	9%	0.088	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-38	174.7	169.7	71.2	0	0	0	112.6	C592 C595 F599 E604 F605 T606 R610 I611 H612	C592-H608 VanDerWaalsContact CB-NE2 3.32Å; C592-H608 WeakPolarHBondContact CB-NE2 3.32Å; C592-H608 PolarHBondContact SG-NE2 3.27Å; C595-H608 PolarHBondContact SG-CE1 2.94Å; C595-H608 PolarHBondContact SG-NE2 2.65Å; F599-H608 HydrophobicContact CE1-CB 4Å; F599-H608 HydrophobicContact CE2-CB 4.03Å; F599-H608 AromaticContact CE2-CD2 3.32Å; F599-H608 WeakPolarHBondContact CE2-CD2 3.43Å; F599-H608 AromaticContact CE2-CG 3.6Å; F599-H608 AromaticContact CE2-NE2 3.9Å; F599-H608 HydrophobicContact CZ-CB 3.59Å; F599-H608 AromaticContact CZ-CD2 3.48Å; F599-H608 VanDerWaalsContact CZ-CD2 3.48Å; F599-H608 WeakPolarHBondContact CZ-CD2 3.39Å; F599-H608 AromaticContact CZ-CG 3.24Å; F599-H608 AromaticContact CZ-ND1 3.66Å; F599-H608 AromaticContact CZ-NE2 3.99Å; E604-H608 WeakPolarHBondContact O-CB 3.43Å; E604-H608 PolarHBondContact O-N 3.47Å; F605-H608 PolarHBondContact O-N 3.29Å; T606-H608 VanDerWaalsContact C-N 3.31Å; T606-H608 PolarHBondContact O-N 2.81Å; H608-R610 VanDerWaalsContact C-N 3.28Å; H608-R610 PolarHBondContact O-N 2.83Å; H608-I611 WeakPolarHBondContact O-CB 3.27Å; H608-I611 WeakPolarHBondContact O-CG1 3.45Å; H608-I611 PolarHBondContact O-N 3.09Å; H608-H612 AromaticContact CE1-CD2 3.88Å; H608-H612 AromaticContact CE1-NE2 3.43Å; H608-H612 PolarHBondContact CE1-NE2 2.83Å; H608-H612 AromaticContact NE2-CD2 3.6Å; H608-H612 AromaticContact NE2-NE2 3.35Å; H608-H612 PolarHBondContact NE2-NE2 2.95Å
609	L	58.6	Low	61.3	Low	44 Å²	44	58 Å²	58	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-34.6	173	-74.3	176	0	0	0	112.1	Y594 F605 T606 I611 H612 T613	Y594-L609 HydrophobicContact CD2-CD2 4.04Å; Y594-L609 HydrophobicContact CE2-CD2 4.08Å; F605-L609 HydrophobicContact CD1-CD1 4.18Å; F605-L609 HydrophobicContact CD2-CG 4.36Å; F605-L609 HydrophobicContact CE1-CD1 3.68Å; F605-L609 HydrophobicContact CE1-CG 4.41Å; F605-L609 HydrophobicContact CE2-CD1 4.09Å; F605-L609 HydrophobicContact CE2-CD2 4.08Å; F605-L609 HydrophobicContact CE2-CG 3.94Å; F605-L609 HydrophobicContact CZ-CD1 3.63Å; F605-L609 HydrophobicContact CZ-CD2 4.16Å; F605-L609 HydrophobicContact CZ-CG 4Å; F605-L609 WeakPolarHBondContact O-CG 3.39Å; F605-L609 PolarHBondContact O-N 2.98Å; T606-L609 WeakPolarHBondContact O-CB 3.38Å; T606-L609 PolarHBondContact O-N 2.97Å; T606-L609 VanDerWaalsContact O-N 3.17Å; L609-I611 PolarHBondContact O-N 2.97Å; L609-I611 VanDerWaalsContact O-N 3.13Å; L609-H612 CarbonylContact O-C 3.52Å; L609-H612 WeakPolarHBondContact O-CA 3.41Å; L609-H612 PolarHBondContact O-N 3.37Å; L609-T613 PolarHBondContact O-N 3.09Å; L609-T613 PolarHBondContact O-OG1 2.73Å
610	R	67.1	Low	61.4	Low	37 Å²	37	56.3 Å²	56.3	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-18.6	173	-61.6	176.8	-162.6	145.5	11.2	113.5	E305 T606 Y607 H608 T613 G614 E615 R628	E305-R610 IonicContact OE1-NH1 2.61Å; E305-R610 IonicContact OE2-NH1 3.28Å; E305-R610 IonicContact OE2-NH2 3.25Å; E305-R610 PolarHBondContact OE2-NH2 2.93Å; T606-R610 WeakPolarHBondContact O-CG 3.25Å; T606-R610 PolarHBondContact O-N 3.02Å; T606-R610 VanDerWaalsContact O-N 3.11Å; Y607-R610 WeakPolarHBondContact O-CB 3.35Å; Y607-R610 PolarHBondContact O-N 3.34Å; H608-R610 VanDerWaalsContact C-N 3.28Å; H608-R610 PolarHBondContact O-N 2.83Å; R610-T613 WeakPolarHBondContact CA-OG1 3.48Å; R610-G614 PolarHBondContact O-N 2.88Å; R610-G614 VanDerWaalsContact O-N 3.16Å; R610-E615 HydrophobicContact CB-CB 4.5Å; R610-E615 HydrophobicContact CG-CB 4.32Å; R610-E615 PolarHBondContact O-N 2.98Å; R610-R628 HydrophobicContact CB-CB 4.47Å; R610-R628 WeakPolarHBondContact CD-O 3.41Å; R610-R628 PolarHBondContact NH1-O 3.38Å; R610-R628 WeakPolarHBondContact O-CD 3.41Å; R610-R628 PolarHBondContact O-NE 3.39Å
611	I	58.8	Low	61.9	Low	87 Å²	87	61.5 Å²	61.5	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-70	-44.3	170.2	-53.3	176.2	0	0	0	109.8	H608 L609	H608-I611 WeakPolarHBondContact O-CB 3.27Å; H608-I611 WeakPolarHBondContact O-CG1 3.45Å; H608-I611 PolarHBondContact O-N 3.09Å; L609-I611 PolarHBondContact O-N 2.97Å; L609-I611 VanDerWaalsContact O-N 3.13Å
612	H	51.7	Low	61.5	Low	76 Å²	76	59.4 Å²	59.4	35%	0.352	31%	0.305	S	S	.	.	H	α-helix	trans	-78.5	-35.4	-179.9	-67.8	-65.9	0	0	0	114	C592 Y594 C595 H608 L609	C592-H612 PolarHBondContact SG-CD2 3.28Å; Y594-H612 HydrophobicContact CD2-CB 3.82Å; Y594-H612 AromaticContact CD2-CG 3.93Å; Y594-H612 HydrophobicContact CE2-CB 4.33Å; Y594-H612 HydrophobicContact CG-CB 4.04Å; Y594-H612 AromaticContact CG-CG 3.91Å; C595-H612 PolarHBondContact SG-NE2 2.88Å; C595-H612 VanDerWaalsContact SG-NE2 3.38Å; H608-H612 AromaticContact CE1-CD2 3.88Å; H608-H612 AromaticContact CE1-NE2 3.43Å; H608-H612 PolarHBondContact CE1-NE2 2.83Å; H608-H612 AromaticContact NE2-CD2 3.6Å; H608-H612 AromaticContact NE2-NE2 3.35Å; H608-H612 PolarHBondContact NE2-NE2 2.95Å; L609-H612 CarbonylContact O-C 3.52Å; L609-H612 WeakPolarHBondContact O-CA 3.41Å; L609-H612 PolarHBondContact O-N 3.37Å
613	T	51.5	Low	61.3	Low	68 Å²	68	60.3 Å²	60.3	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-82.4	-15.8	177.4	62.2	0	0	0	0	113.2	L609 R610 E615	L609-T613 PolarHBondContact O-N 3.09Å; L609-T613 PolarHBondContact O-OG1 2.73Å; R610-T613 WeakPolarHBondContact CA-OG1 3.48Å; T613-E615 PolarHBondContact O-N 3.32Å; T613-E615 WeakPolarHBondContact OG1-CG 3.22Å; T613-E615 PolarHBondContact OG1-OE2 3.42Å
614	G	50.6	Low	61.2	Low	36 Å²	36	64.9 Å²	64.9	37%	0.371	33%	0.332	S	S	.	.			trans	77.1	0.6	-177.4	0	0	0	0	0	114.8	R610 K616	R610-G614 PolarHBondContact O-N 2.88Å; R610-G614 VanDerWaalsContact O-N 3.16Å; G614-K616 PolarHBondContact O-N 2.84Å
615	E	54.1	Low	61	Low	116 Å²	116	68.2 Å²	68.2	54%	0.542	34%	0.341	S	S	.	.			trans	-65.6	123.9	-174.6	-70.5	167.7	151.7	0	0	112.4	R610 T613 P617	R610-E615 HydrophobicContact CB-CB 4.5Å; R610-E615 HydrophobicContact CG-CB 4.32Å; R610-E615 PolarHBondContact O-N 2.98Å; T613-E615 PolarHBondContact O-N 3.32Å; T613-E615 WeakPolarHBondContact OG1-CG 3.22Å; T613-E615 PolarHBondContact OG1-OE2 3.42Å; E615-P617 WeakPolarHBondContact O-CD 3.46Å
616	K	69.5	Low	60.8	Low	63 Å²	63	71.5 Å²	71.5	27%	0.274	36%	0.356	S	S	.	.			trans	-123.5	79	179.6	-65.7	168.7	-176.5	176.4	0	109.9	D95 G614 Y618 F626 F627 R628	D95-K616 IonicContact OD2-NZ 2.67Å; D95-K616 PolarHBondContact OD2-NZ 3.36Å; G614-K616 PolarHBondContact O-N 2.84Å; K616-Y618 VanDerWaalsContact C-N 3.31Å; K616-Y618 PolarHBondContact O-N 2.9Å; K616-F626 HydrophobicContact CB-CB 3.67Å; K616-F626 HydrophobicContact CD-CB 4.21Å; K616-F626 WeakPolarHBondContact O-CD1 3.43Å; K616-F627 CarbonylContact C-O 3.46Å; K616-F627 VanDerWaalsContact CA-O 3.22Å; K616-F627 WeakPolarHBondContact CA-O 3.4Å; K616-R628 HydrophobicContact CG-CG 3.77Å
617	P	66.4	Low	60.6	Low	78 Å²	78	69.9 Å²	69.9	51%	0.506	34%	0.344	S	S	.	.			trans	-74.4	-14.2	-169.8	27.9	-34	0	0	0	114.8	E615 F627	E615-P617 WeakPolarHBondContact O-CD 3.46Å; P617-F627 WeakPolarHBondContact CD-O 3.47Å
618	Y	62.2	Low	60.6	Low	58 Å²	58	69.8 Å²	69.8	23%	0.227	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.5	-173.8	-59.5	-73.1	0	0	0	111.4	E305 K616 F626 F627 R630	E305-Y618 PolarHBondContact OE1-OH 3.37Å; K616-Y618 VanDerWaalsContact C-N 3.31Å; K616-Y618 PolarHBondContact O-N 2.9Å; Y618-F626 CarbonylContact O-C 3.49Å; Y618-F626 WeakPolarHBondContact O-CA 3.45Å; Y618-F627 PolarHBondContact N-O 3.29Å; Y618-F627 VanDerWaalsContact N-O 3.15Å; Y618-F627 PolarHBondContact O-N 3.01Å; Y618-R630 HydrophobicContact CD1-CB 4.12Å; Y618-R630 HydrophobicContact CD1-CG 4.49Å; Y618-R630 HydrophobicContact CD2-CB 4.48Å; Y618-R630 VanDerWaalsContact CD2-N 3.31Å; Y618-R630 HydrophobicContact CE1-CB 3.78Å; Y618-R630 HydrophobicContact CE1-CG 4.29Å; Y618-R630 HydrophobicContact CE2-CB 4.15Å; Y618-R630 HydrophobicContact CG-CB 4.44Å
619	Q	64.7	Low	60.5	Low	84 Å²	84	69 Å²	69	39%	0.393	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.4	-178.8	-163.5	-179.7	12	0	0	111.7	K621 L624 F626 M633	Q619-K621 PolarHBondContact O-N 3.3Å; Q619-L624 WeakPolarHBondContact CG-O 3.48Å; Q619-L624 PolarHBondContact NE2-O 2.87Å; Q619-F626 HydrophobicContact CB-CD1 3.8Å; Q619-F626 HydrophobicContact CB-CE1 3.67Å; Q619-F626 HydrophobicContact CB-CZ 4.27Å; Q619-F626 HydrophobicContact CG-CD1 3.91Å; Q619-F626 HydrophobicContact CG-CD2 4.32Å; Q619-F626 HydrophobicContact CG-CE1 3.63Å; Q619-F626 HydrophobicContact CG-CE2 4.06Å; Q619-F626 HydrophobicContact CG-CG 4.26Å; Q619-F626 HydrophobicContact CG-CZ 3.71Å; Q619-M633 VanDerWaalsContact O-SD 3.4Å
620	C	65.5	Low	60.8	Low	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.351	C	S	.	.			trans	-65.9	128.2	168	178.5	0	0	0	0	109.9	V622 L624 R625 F627 H636 L637 H640	C620-V622 VanDerWaalsContact C-N 3.29Å; C620-V622 PolarHBondContact O-N 2.97Å; C620-V622 PolarHBondContact SG-N 3.44Å; C620-L624 WeakPolarHBondContact O-CA 3.2Å; C620-L624 PolarHBondContact O-N 3.39Å; C620-L624 VanDerWaalsContact O-N 3.08Å; C620-R625 WeakPolarHBondContact CB-O 3.04Å; C620-R625 PolarHBondContact N-O 3.48Å; C620-F627 HydrophobicContact CB-CE2 4.05Å; C620-H636 PolarHBondContact SG-NE2 2.86Å; C620-H636 VanDerWaalsContact SG-NE2 3.45Å; C620-L637 HydrophobicContact CB-CD1 4.06Å; C620-L637 VanDerWaalsContact SG-CD1 3.55Å; C620-H640 PolarHBondContact SG-NE2 3.48Å
621	K	66.8	Low	60.6	Low	157 Å²	157	75.2 Å²	75.2	68%	0.683	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.4	178.6	-66.7	-178.1	-176.1	171.2	0	113.7	Q619	Q619-K621 PolarHBondContact O-N 3.3Å
622	V	57.9	Low	60.6	Low	52 Å²	52	72 Å²	72	32%	0.315	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-66.8	-173.5	-171.8	0	0	0	0	110.9	W286 L289 C620 H640	W286-V622 HydrophobicContact CH2-CG1 4.47Å; L289-V622 HydrophobicContact CD2-CG2 3.8Å; C620-V622 VanDerWaalsContact C-N 3.29Å; C620-V622 PolarHBondContact O-N 2.97Å; C620-V622 PolarHBondContact SG-N 3.44Å; V622-H640 HydrophobicContact CG1-CB 4.3Å; V622-H640 HydrophobicContact CG2-CB 4.34Å
623	C	59.4	Low	61.8	Low	42 Å²	42	69.5 Å²	69.5	28%	0.284	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	10.1	179.7	70.3	0	0	0	0	114.3	R625 H636 H640	C623-R625 PolarHBondContact O-N 3.18Å; C623-R625 VanDerWaalsContact SG-CB 3.53Å; C623-H636 PolarHBondContact SG-NE2 3.41Å; C623-H640 WeakPolarHBondContact CB-CE1 3.48Å; C623-H640 VanDerWaalsContact CB-NE2 3.32Å; C623-H640 WeakPolarHBondContact CB-NE2 3.38Å; C623-H640 PolarHBondContact SG-NE2 3.02Å
624	L	60.1	Low	62.5	Low	109 Å²	109	67.3 Å²	67.3	57%	0.571	33%	0.331	S	S	*	.			trans	59.4	10.2	177.3	-57.4	-179.4	0	0	0	115.9	Q619 C620 F626	Q619-L624 WeakPolarHBondContact CG-O 3.48Å; Q619-L624 PolarHBondContact NE2-O 2.87Å; C620-L624 WeakPolarHBondContact O-CA 3.2Å; C620-L624 PolarHBondContact O-N 3.39Å; C620-L624 VanDerWaalsContact O-N 3.08Å; L624-F626 WeakPolarHBondContact O-CD2 3.37Å; L624-F626 WeakPolarHBondContact O-CE2 3.46Å
625	R	55	Low	63	Low	145 Å²	145	66.3 Å²	66.3	55%	0.547	32%	0.319	S	S	.	.			trans	-71.1	141.9	-179.8	-174.4	172.6	-178.2	155.6	4.4	112.5	C620 C623 F627	C620-R625 WeakPolarHBondContact CB-O 3.04Å; C620-R625 PolarHBondContact N-O 3.48Å; C623-R625 PolarHBondContact O-N 3.18Å; C623-R625 VanDerWaalsContact SG-CB 3.53Å; R625-F627 HydrophobicContact CB-CE2 3.9Å; R625-F627 HydrophobicContact CB-CZ 4.31Å; R625-F627 HydrophobicContact CG-CE2 3.78Å; R625-F627 HydrophobicContact CG-CZ 3.84Å; R625-F627 WeakPolarHBondContact O-CD2 3.47Å; R625-F627 VanDerWaalsContact O-CE2 3.31Å; R625-F627 WeakPolarHBondContact O-CE2 3.47Å
626	F	62.3	Low	63.6	Low	104 Å²	104	61.2 Å²	61.2	46%	0.456	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.3	-177.3	-65.7	-95	0	0	0	113.6	K616 Y618 Q619 L624	K616-F626 HydrophobicContact CB-CB 3.67Å; K616-F626 HydrophobicContact CD-CB 4.21Å; K616-F626 WeakPolarHBondContact O-CD1 3.43Å; Y618-F626 CarbonylContact O-C 3.49Å; Y618-F626 WeakPolarHBondContact O-CA 3.45Å; Q619-F626 HydrophobicContact CB-CD1 3.8Å; Q619-F626 HydrophobicContact CB-CE1 3.67Å; Q619-F626 HydrophobicContact CB-CZ 4.27Å; Q619-F626 HydrophobicContact CG-CD1 3.91Å; Q619-F626 HydrophobicContact CG-CD2 4.32Å; Q619-F626 HydrophobicContact CG-CE1 3.63Å; Q619-F626 HydrophobicContact CG-CE2 4.06Å; Q619-F626 HydrophobicContact CG-CG 4.26Å; Q619-F626 HydrophobicContact CG-CZ 3.71Å; L624-F626 WeakPolarHBondContact O-CD2 3.37Å; L624-F626 WeakPolarHBondContact O-CE2 3.46Å
627	F	60.3	Low	63.3	Low	27 Å²	27	58.9 Å²	58.9	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.2	-172.5	-66.1	-91.2	0	0	0	112	K616 P617 Y618 C620 R625 M633 H636	K616-F627 CarbonylContact C-O 3.46Å; K616-F627 VanDerWaalsContact CA-O 3.22Å; K616-F627 WeakPolarHBondContact CA-O 3.4Å; P617-F627 WeakPolarHBondContact CD-O 3.47Å; Y618-F627 PolarHBondContact N-O 3.29Å; Y618-F627 VanDerWaalsContact N-O 3.15Å; Y618-F627 PolarHBondContact O-N 3.01Å; C620-F627 HydrophobicContact CB-CE2 4.05Å; R625-F627 HydrophobicContact CB-CE2 3.9Å; R625-F627 HydrophobicContact CB-CZ 4.31Å; R625-F627 HydrophobicContact CG-CE2 3.78Å; R625-F627 HydrophobicContact CG-CZ 3.84Å; R625-F627 WeakPolarHBondContact O-CD2 3.47Å; R625-F627 VanDerWaalsContact O-CE2 3.31Å; R625-F627 WeakPolarHBondContact O-CE2 3.47Å; F627-M633 HydrophobicContact CB-CB 3.89Å; F627-M633 HydrophobicContact CD2-CB 3.91Å; F627-M633 HydrophobicContact CD2-CG 3.87Å; F627-M633 HydrophobicContact CG-CB 3.9Å; F627-M633 HydrophobicContact CG-CG 4.38Å; F627-H636 HydrophobicContact CE1-CB 3.67Å; F627-H636 AromaticContact CE1-CG 3.93Å; F627-H636 HydrophobicContact CE2-CB 4.2Å; F627-H636 AromaticContact CE2-CD2 3.29Å; F627-H636 WeakPolarHBondContact CE2-CD2 3.17Å; F627-H636 AromaticContact CE2-CG 3.89Å; F627-H636 HydrophobicContact CZ-CB 3.48Å; F627-H636 VanDerWaalsContact CZ-CB 3.48Å; F627-H636 AromaticContact CZ-CD2 3.12Å; F627-H636 WeakPolarHBondContact CZ-CD2 3.23Å; F627-H636 AromaticContact CZ-CG 3.24Å; F627-H636 AromaticContact CZ-NE2 3.84Å
628	R	63.8	Low	63.1	Low	64 Å²	64	56.2 Å²	56.2	24%	0.242	27%	0.266	C	S	.	.	S	Bend	trans	-81.7	-23.7	-177.5	-63.8	-171.9	163.3	89.4	-7.9	113.9	Y607 R610 K616	Y607-R628 HydrophobicContact CE2-CB 3.87Å; R610-R628 HydrophobicContact CB-CB 4.47Å; R610-R628 WeakPolarHBondContact CD-O 3.41Å; R610-R628 PolarHBondContact NH1-O 3.38Å; R610-R628 WeakPolarHBondContact O-CD 3.41Å; R610-R628 PolarHBondContact O-NE 3.39Å; K616-R628 HydrophobicContact CG-CG 3.77Å
629	G	64.9	Low	63	Low	1 Å²	1	54.7 Å²	54.7	1%	0.01	26%	0.263	C	S	.	.	S	Bend	trans	-138.6	147.1	-178.9	0	0	0	0	0	112.4	S631 T632 M633	G629-S631 PolarHBondContact O-N 3.3Å; G629-T632 PolarHBondContact O-N 3.21Å; G629-T632 PolarHBondContact O-OG1 3.29Å; G629-M633 PolarHBondContact O-N 2.92Å
630	R	65.4	Low	62.8	Low	127 Å²	127	51.8 Å²	51.8	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-46.1	-176.5	-175.2	-177.7	171.9	88	4.2	111.7	Y618 T632 M633 I634	Y618-R630 HydrophobicContact CD1-CB 4.12Å; Y618-R630 HydrophobicContact CD1-CG 4.49Å; Y618-R630 HydrophobicContact CD2-CB 4.48Å; Y618-R630 VanDerWaalsContact CD2-N 3.31Å; Y618-R630 HydrophobicContact CE1-CB 3.78Å; Y618-R630 HydrophobicContact CE1-CG 4.29Å; Y618-R630 HydrophobicContact CE2-CB 4.15Å; Y618-R630 HydrophobicContact CG-CB 4.44Å; R630-T632 VanDerWaalsContact C-N 3.32Å; R630-T632 PolarHBondContact O-N 2.78Å; R630-M633 WeakPolarHBondContact O-CB 3.38Å; R630-M633 PolarHBondContact O-N 3.32Å; R630-M633 VanDerWaalsContact O-N 3.13Å; R630-I634 HydrophobicContact CG-CD1 3.93Å; R630-I634 HydrophobicContact CG-CG1 4.49Å; R630-I634 WeakPolarHBondContact O-CG1 3.24Å; R630-I634 PolarHBondContact O-N 3.27Å
631	S	61.3	Low	62.5	Low	85 Å²	85	53.2 Å²	53.2	59%	0.594	26%	0.261	S	S	*	.	H	α-helix	trans	-55.4	-43.5	176	52.6	0	0	0	0	112.6	G629 M633 I634 C635	G629-S631 PolarHBondContact O-N 3.3Å; S631-M633 VanDerWaalsContact C-N 3.33Å; S631-M633 PolarHBondContact O-N 2.98Å; S631-I634 PolarHBondContact O-N 2.93Å; S631-C635 WeakPolarHBondContact O-CB 3.4Å; S631-C635 PolarHBondContact O-N 2.88Å
632	T	60.2	Low	61.8	Low	19 Å²	19	46.8 Å²	46.8	12%	0.117	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-32.1	178.6	66.6	0	0	0	0	113	G629 R630 H636 L653	G629-T632 PolarHBondContact O-N 3.21Å; G629-T632 PolarHBondContact O-OG1 3.29Å; R630-T632 VanDerWaalsContact C-N 3.32Å; R630-T632 PolarHBondContact O-N 2.78Å; T632-H636 WeakPolarHBondContact O-CB 3.29Å; T632-H636 PolarHBondContact O-N 3.3Å; T632-L653 HydrophobicContact CG2-CD2 3.76Å
633	M	75.3	Confident	61.7	Low	24 Å²	24	46.3 Å²	46.3	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-71.9	-44.7	173.3	-175.8	-146.7	69	0	0	111.3	Q619 F627 G629 R630 S631 H636 L637	Q619-M633 VanDerWaalsContact O-SD 3.4Å; F627-M633 HydrophobicContact CB-CB 3.89Å; F627-M633 HydrophobicContact CD2-CB 3.91Å; F627-M633 HydrophobicContact CD2-CG 3.87Å; F627-M633 HydrophobicContact CG-CB 3.9Å; F627-M633 HydrophobicContact CG-CG 4.38Å; G629-M633 PolarHBondContact O-N 2.92Å; R630-M633 WeakPolarHBondContact O-CB 3.38Å; R630-M633 PolarHBondContact O-N 3.32Å; R630-M633 VanDerWaalsContact O-N 3.13Å; S631-M633 VanDerWaalsContact C-N 3.33Å; S631-M633 PolarHBondContact O-N 2.98Å; M633-H636 CarbonylContact O-C 3.42Å; M633-H636 PolarHBondContact O-N 3.33Å; M633-L637 HydrophobicContact CE-CD1 4.41Å; M633-L637 HydrophobicContact CG-CD1 4.09Å; M633-L637 VanDerWaalsContact O-CD1 3.27Å; M633-L637 WeakPolarHBondContact O-CD1 3.46Å; M633-L637 PolarHBondContact O-N 3.09Å
634	I	66.5	Low	61.6	Low	22 Å²	22	48.4 Å²	48.4	11%	0.113	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-44.4	177.1	-66.7	171.6	0	0	0	110.4	L296 R630 S631 H636 L637 K638	L296-I634 HydrophobicContact CB-CG2 4.07Å; L296-I634 HydrophobicContact CD2-CD1 4.29Å; R630-I634 HydrophobicContact CG-CD1 3.93Å; R630-I634 HydrophobicContact CG-CG1 4.49Å; R630-I634 WeakPolarHBondContact O-CG1 3.24Å; R630-I634 PolarHBondContact O-N 3.27Å; S631-I634 PolarHBondContact O-N 2.93Å; I634-H636 VanDerWaalsContact C-N 3.34Å; I634-H636 PolarHBondContact O-N 2.82Å; I634-L637 WeakPolarHBondContact O-CB 3.38Å; I634-L637 PolarHBondContact O-N 3.17Å; I634-L637 VanDerWaalsContact O-N 3.13Å; I634-K638 PolarHBondContact O-N 3.39Å
635	C	60.9	Low	61.8	Low	16 Å²	16	43.3 Å²	43.3	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-53.7	-51.2	170.3	-97.6	0	0	0	0	110.9	S631 L637 K638 M645 Y654	S631-C635 WeakPolarHBondContact O-CB 3.4Å; S631-C635 PolarHBondContact O-N 2.88Å; C635-L637 VanDerWaalsContact C-N 3.31Å; C635-L637 PolarHBondContact O-N 3.23Å; C635-K638 WeakPolarHBondContact O-CA 3.43Å; C635-K638 VanDerWaalsContact O-CB 3.27Å; C635-K638 WeakPolarHBondContact O-CB 3.32Å; C635-K638 PolarHBondContact O-N 3.27Å; C635-M645 HydrophobicContact CB-CE 3.53Å; C635-M645 VanDerWaalsContact O-CE 3.22Å; C635-M645 WeakPolarHBondContact O-CE 3.28Å; C635-M645 WeakPolarHBondContact SG-CE 3.15Å; C635-Y654 WeakPolarHBondContact CB-O 3.45Å; C635-Y654 PolarHBondContact SG-O 3.3Å; C635-Y654 VanDerWaalsContact SG-O 3.37Å
636	H	66.9	Low	62.2	Low	9 Å²	9	39.1 Å²	39.1	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-34	176.7	166.4	60.6	0	0	0	114	C620 C623 F627 T632 M633 I634 K638 T639 H640	C620-H636 PolarHBondContact SG-NE2 2.86Å; C620-H636 VanDerWaalsContact SG-NE2 3.45Å; C623-H636 PolarHBondContact SG-NE2 3.41Å; F627-H636 HydrophobicContact CE1-CB 3.67Å; F627-H636 AromaticContact CE1-CG 3.93Å; F627-H636 HydrophobicContact CE2-CB 4.2Å; F627-H636 AromaticContact CE2-CD2 3.29Å; F627-H636 WeakPolarHBondContact CE2-CD2 3.17Å; F627-H636 AromaticContact CE2-CG 3.89Å; F627-H636 HydrophobicContact CZ-CB 3.48Å; F627-H636 VanDerWaalsContact CZ-CB 3.48Å; F627-H636 AromaticContact CZ-CD2 3.12Å; F627-H636 WeakPolarHBondContact CZ-CD2 3.23Å; F627-H636 AromaticContact CZ-CG 3.24Å; F627-H636 AromaticContact CZ-NE2 3.84Å; T632-H636 WeakPolarHBondContact O-CB 3.29Å; T632-H636 PolarHBondContact O-N 3.3Å; M633-H636 CarbonylContact O-C 3.42Å; M633-H636 PolarHBondContact O-N 3.33Å; I634-H636 VanDerWaalsContact C-N 3.34Å; I634-H636 PolarHBondContact O-N 2.82Å; H636-K638 PolarHBondContact O-N 3.14Å; H636-T639 PolarHBondContact ND1-OG1 3Å; H636-T639 PolarHBondContact O-N 3.39Å; H636-T639 PolarHBondContact O-OG1 3.4Å; H636-H640 AromaticContact CD2-NE2 3.49Å; H636-H640 PolarHBondContact CD2-NE2 3.02Å; H636-H640 AromaticContact CE1-CD2 3.8Å; H636-H640 AromaticContact CE1-NE2 2.58Å; H636-H640 PolarHBondContact CE1-NE2 3.4Å; H636-H640 AromaticContact ND1-NE2 3.76Å; H636-H640 AromaticContact NE2-CD2 3.71Å; H636-H640 AromaticContact NE2-NE2 2.32Å; H636-H640 PolarHBondContact NE2-NE2 3.25Å
637	L	62.8	Low	62.4	Low	14 Å²	14	39.4 Å²	39.4	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-34.3	172.1	-97.7	75.1	0	0	0	112	I293 C620 M633 I634 C635 T639 H640 A641	I293-L637 HydrophobicContact CD1-CB 4.05Å; I293-L637 HydrophobicContact CD1-CD2 4.37Å; I293-L637 HydrophobicContact CD1-CG 4.48Å; I293-L637 HydrophobicContact CG1-CB 4.06Å; I293-L637 HydrophobicContact CG1-CD2 4.08Å; C620-L637 HydrophobicContact CB-CD1 4.06Å; C620-L637 VanDerWaalsContact SG-CD1 3.55Å; M633-L637 HydrophobicContact CE-CD1 4.41Å; M633-L637 HydrophobicContact CG-CD1 4.09Å; M633-L637 VanDerWaalsContact O-CD1 3.27Å; M633-L637 WeakPolarHBondContact O-CD1 3.46Å; M633-L637 PolarHBondContact O-N 3.09Å; I634-L637 WeakPolarHBondContact O-CB 3.38Å; I634-L637 PolarHBondContact O-N 3.17Å; I634-L637 VanDerWaalsContact O-N 3.13Å; C635-L637 VanDerWaalsContact C-N 3.31Å; C635-L637 PolarHBondContact O-N 3.23Å; L637-T639 PolarHBondContact O-N 3.09Å; L637-H640 WeakPolarHBondContact O-CB 3.47Å; L637-H640 PolarHBondContact O-N 2.79Å; L637-A641 PolarHBondContact O-N 3.33Å
638	K	62.5	Low	62.8	Low	21 Å²	21	38.1 Å²	38.1	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-23.4	174.2	-59.7	178.5	-179	-177.3	0	112.7	I293 S297 E300 I634 C635 H636 A641 G642 A643 M645	I293-K638 HydrophobicContact CG2-CB 4.44Å; I293-K638 HydrophobicContact CG2-CG 3.76Å; S297-K638 VanDerWaalsContact CB-CE 3.41Å; S297-K638 VanDerWaalsContact CB-NZ 3.33Å; E300-K638 IonicContact OE1-NZ 2.67Å; E300-K638 PolarHBondContact OE1-NZ 3.48Å; I634-K638 PolarHBondContact O-N 3.39Å; C635-K638 WeakPolarHBondContact O-CA 3.43Å; C635-K638 VanDerWaalsContact O-CB 3.27Å; C635-K638 WeakPolarHBondContact O-CB 3.32Å; C635-K638 PolarHBondContact O-N 3.27Å; H636-K638 PolarHBondContact O-N 3.14Å; K638-A641 PolarHBondContact O-N 2.86Å; K638-G642 PolarHBondContact O-N 3.27Å; K638-A643 HydrophobicContact CB-CB 4.05Å; K638-A643 WeakPolarHBondContact O-CB 3.44Å; K638-A643 PolarHBondContact O-N 3.19Å; K638-M645 HydrophobicContact CB-CE 4.23Å; K638-M645 HydrophobicContact CB-CG 4.47Å; K638-M645 HydrophobicContact CB-SD 3.81Å; K638-M645 HydrophobicContact CD-CE 4.44Å
639	T	61.4	Low	62.6	Low	27 Å²	27	38 Å²	38	17%	0.166	21%	0.206	C	C	.	.	H	α-helix	trans	-71.4	-33	171.2	70.7	0	0	0	0	112.4	H636 L637 A641 G642 M645	H636-T639 PolarHBondContact ND1-OG1 3Å; H636-T639 PolarHBondContact O-N 3.39Å; H636-T639 PolarHBondContact O-OG1 3.4Å; L637-T639 PolarHBondContact O-N 3.09Å; T639-A641 VanDerWaalsContact C-N 3.26Å; T639-A641 PolarHBondContact O-N 3.07Å; T639-G642 PolarHBondContact O-N 3.45Å; T639-G642 VanDerWaalsContact O-N 3.09Å; T639-M645 HydrophobicContact CG2-CG 4.32Å; T639-M645 HydrophobicContact CG2-SD 3.46Å; T639-M645 WeakPolarHBondContact CG2-SD 3.31Å
640	H	59.9	Low	62.3	Low	22 Å²	22	40.8 Å²	40.8	10%	0.102	22%	0.222	C	C	.	.	H	α-helix	trans	-71.3	-20	173.2	-68.4	-60.6	0	0	0	113	W286 C620 V622 C623 H636 L637 H687 E690	W286-H640 WeakPolarHBondContact CZ3-O 3.29Å; C620-H640 PolarHBondContact SG-NE2 3.48Å; V622-H640 HydrophobicContact CG1-CB 4.3Å; V622-H640 HydrophobicContact CG2-CB 4.34Å; C623-H640 WeakPolarHBondContact CB-CE1 3.48Å; C623-H640 VanDerWaalsContact CB-NE2 3.32Å; C623-H640 WeakPolarHBondContact CB-NE2 3.38Å; C623-H640 PolarHBondContact SG-NE2 3.02Å; H636-H640 AromaticContact CD2-NE2 3.49Å; H636-H640 PolarHBondContact CD2-NE2 3.02Å; H636-H640 AromaticContact CE1-CD2 3.8Å; H636-H640 AromaticContact CE1-NE2 2.58Å; H636-H640 PolarHBondContact CE1-NE2 3.4Å; H636-H640 AromaticContact ND1-NE2 3.76Å; H636-H640 AromaticContact NE2-CD2 3.71Å; H636-H640 AromaticContact NE2-NE2 2.32Å; H636-H640 PolarHBondContact NE2-NE2 3.25Å; L637-H640 WeakPolarHBondContact O-CB 3.47Å; L637-H640 PolarHBondContact O-N 2.79Å; H640-H687 PolarHBondContact O-CE1 3.21Å; H640-E690 IonicContact CE1-OE1 2.6Å; H640-E690 IonicContact CE1-OE2 3.58Å; H640-E690 PolarHBondContact CE1-OE2 2.8Å
641	A	57.9	Low	62.1	Low	30 Å²	30	37.5 Å²	37.5	25%	0.248	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.9	169.2	0	0	0	0	0	113.2	I293 L637 K638 T639 A643 H687	I293-A641 HydrophobicContact CD1-CB 4.2Å; I293-A641 HydrophobicContact CG2-CB 4.37Å; L637-A641 PolarHBondContact O-N 3.33Å; K638-A641 PolarHBondContact O-N 2.86Å; T639-A641 VanDerWaalsContact C-N 3.26Å; T639-A641 PolarHBondContact O-N 3.07Å; A641-A643 VanDerWaalsContact C-N 3.28Å; A641-A643 PolarHBondContact O-N 3.24Å; A641-H687 PolarHBondContact O-NE2 3.49Å
642	G	53.7	Low	61.9	Low	22 Å²	22	34.6 Å²	34.6	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	23.4	-175.1	0	0	0	0	0	114.5	K638 T639 H687	K638-G642 PolarHBondContact O-N 3.27Å; T639-G642 PolarHBondContact O-N 3.45Å; T639-G642 VanDerWaalsContact O-N 3.09Å; G642-H687 WeakPolarHBondContact CA-NE2 3.45Å; G642-H687 PolarHBondContact N-CE1 3.11Å; G642-H687 VanDerWaalsContact N-CE1 3.35Å; G642-H687 PolarHBondContact N-NE2 3.02Å
643	A	56.2	Low	61.9	Low	43 Å²	43	35.7 Å²	35.7	36%	0.355	21%	0.207	S	C	.	.			trans	-69.2	143.1	173.2	0	0	0	0	0	110.3	K638 A641 M645	K638-A643 HydrophobicContact CB-CB 4.05Å; K638-A643 WeakPolarHBondContact O-CB 3.44Å; K638-A643 PolarHBondContact O-N 3.19Å; A641-A643 VanDerWaalsContact C-N 3.28Å; A641-A643 PolarHBondContact O-N 3.24Å; A643-M645 WeakPolarHBondContact O-CG 3.36Å; A643-M645 PolarHBondContact O-N 3.05Å
644	L	56.6	Low	61.4	Low	86 Å²	86	36.9 Å²	36.9	45%	0.45	21%	0.21	S	C	.	.			trans	-61.4	121.7	172	-75.5	164.4	0	0	0	110.2	M683 N685	L644-M683 HydrophobicContact CB-CG 4.29Å; L644-M683 HydrophobicContact CB-SD 4.39Å; L644-M683 HydrophobicContact CD1-SD 4.43Å; L644-M683 HydrophobicContact CD2-CE 3.82Å; L644-M683 HydrophobicContact CD2-CG 3.74Å; L644-M683 HydrophobicContact CD2-SD 3.86Å; L644-M683 HydrophobicContact CG-SD 4.48Å; L644-N685 HydrophobicContact CD2-CB 3.58Å; L644-N685 WeakPolarHBondContact CD2-OD1 3.25Å; L644-N685 WeakPolarHBondContact CG-OD1 3.39Å
645	M	64.3	Low	61.4	Low	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144	-178.5	-61.4	-156.9	79.7	0	0	112.9	C635 K638 T639 A643 Y654 M683 Y684	C635-M645 HydrophobicContact CB-CE 3.53Å; C635-M645 VanDerWaalsContact O-CE 3.22Å; C635-M645 WeakPolarHBondContact O-CE 3.28Å; C635-M645 WeakPolarHBondContact SG-CE 3.15Å; K638-M645 HydrophobicContact CB-CE 4.23Å; K638-M645 HydrophobicContact CB-CG 4.47Å; K638-M645 HydrophobicContact CB-SD 3.81Å; K638-M645 HydrophobicContact CD-CE 4.44Å; T639-M645 HydrophobicContact CG2-CG 4.32Å; T639-M645 HydrophobicContact CG2-SD 3.46Å; T639-M645 WeakPolarHBondContact CG2-SD 3.31Å; A643-M645 WeakPolarHBondContact O-CG 3.36Å; A643-M645 PolarHBondContact O-N 3.05Å; M645-Y654 HydrophobicContact CB-CD1 4.43Å; M645-M683 CarbonylContact O-C 3.58Å; M645-M683 WeakPolarHBondContact O-CA 3.41Å; M645-Y684 PolarHBondContact N-O 2.91Å; M645-Y684 PolarHBondContact O-N 3.47Å
646	Y	64	Low	61.3	Low	58 Å²	58	37.8 Å²	37.8	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.3	177.3	-64.6	-85.6	0	0	0	110.5	Y654 F655 T657 L658 V661 T681 M683	Y646-Y654 CarbonylContact O-C 3.53Å; Y646-Y654 WeakPolarHBondContact O-CA 3.44Å; Y646-F655 PolarHBondContact N-O 2.7Å; Y646-F655 PolarHBondContact O-N 3.05Å; Y646-T657 VanDerWaalsContact CD2-C 3.44Å; Y646-L658 HydrophobicContact CD1-CB 4.27Å; Y646-L658 HydrophobicContact CD1-CD1 3.91Å; Y646-L658 HydrophobicContact CE1-CB 3.95Å; Y646-L658 HydrophobicContact CE1-CD1 3.99Å; Y646-L658 HydrophobicContact CE1-CG 4.46Å; Y646-L658 HydrophobicContact CE2-CB 4.21Å; Y646-V661 VanDerWaalsContact CB-CG2 3.42Å; Y646-V661 HydrophobicContact CG-CG2 4.43Å; Y646-T681 HydrophobicContact CD1-CG2 4.21Å; Y646-T681 HydrophobicContact CG-CG2 4.49Å; Y646-M683 HydrophobicContact CE1-CB 4.45Å; Y646-M683 HydrophobicContact CE1-CG 4.33Å; Y646-M683 HydrophobicContact CE1-SD 4.31Å
647	R	64.8	Low	61.1	Low	110 Å²	110	40 Å²	40	42%	0.415	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.5	178.8	179.9	177.3	166.6	162.7	-9.4	111.5	T649 Y654 T681 F682	R647-T649 PolarHBondContact O-N 3.32Å; R647-Y654 HydrophobicContact CB-CD1 3.85Å; R647-Y654 HydrophobicContact CB-CE1 3.78Å; R647-Y654 HydrophobicContact CG-CD1 4.21Å; R647-Y654 HydrophobicContact CG-CE1 3.88Å; R647-Y654 PolarHBondContact NH1-OH 2.64Å; R647-Y654 VanDerWaalsContact NH1-OH 3.09Å; R647-T681 WeakPolarHBondContact O-CG2 3.41Å; R647-F682 PolarHBondContact N-O 3.15Å
648	C	69.5	Low	61.3	Low	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-59.6	123.9	164.8	170.6	0	0	0	0	110.2	V650 C651 G652 L653 F655 V661 M665	C648-V650 PolarHBondContact SG-N 3.48Å; C648-V650 VanDerWaalsContact SG-N 3.39Å; C648-C651 PolarHBondContact SG-N 3.02Å; C648-C651 PolarHBondContact SG-SG 3.32Å; C648-G652 WeakPolarHBondContact O-CA 3.42Å; C648-G652 PolarHBondContact O-N 2.8Å; C648-L653 WeakPolarHBondContact CB-O 3.47Å; C648-L653 PolarHBondContact N-O 3.02Å; C648-F655 HydrophobicContact CB-CE2 4.03Å; C648-V661 HydrophobicContact CB-CG1 4.47Å; C648-M665 HydrophobicContact CB-CE 3.75Å; C648-M665 WeakPolarHBondContact SG-CE 3.35Å
649	T	59	Low	61.5	Low	61 Å²	61	50.1 Å²	50.1	37%	0.374	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.2	177.4	43.6	0	0	0	0	113.3	R647 F676 Q680 F682	R647-T649 PolarHBondContact O-N 3.32Å; T649-F676 WeakPolarHBondContact OG1-CE2 3.27Å; T649-Q680 WeakPolarHBondContact CG2-O 3.26Å; T649-F682 HydrophobicContact CG2-CD2 3.83Å; T649-F682 HydrophobicContact CG2-CE2 3.9Å
650	V	59.3	Low	61.8	Low	59 Å²	59	52.3 Å²	52.3	36%	0.358	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-42.1	-177.1	-174.6	0	0	0	0	112.9	C648 H668 L672	C648-V650 PolarHBondContact SG-N 3.48Å; C648-V650 VanDerWaalsContact SG-N 3.39Å; V650-H668 HydrophobicContact CG1-CB 4.33Å; V650-L672 HydrophobicContact CG2-CD1 4.48Å
651	C	61	Low	62.3	Low	58 Å²	58	51.2 Å²	51.2	39%	0.392	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-0.3	-176.4	72.9	0	0	0	0	115.2	C648 L653 H664	C648-C651 PolarHBondContact SG-N 3.02Å; C648-C651 PolarHBondContact SG-SG 3.32Å; C651-L653 PolarHBondContact O-N 3.45Å; C651-L653 VanDerWaalsContact SG-CG 3.58Å; C651-H664 PolarHBondContact SG-NE2 2.87Å
652	G	57.5	Low	62.9	Low	24 Å²	24	51.7 Å²	51.7	25%	0.247	28%	0.282	C	S	.	.			trans	73.2	6	176.5	0	0	0	0	0	115.9	C648	C648-G652 WeakPolarHBondContact O-CA 3.42Å; C648-G652 PolarHBondContact O-N 2.8Å
653	L	59.2	Low	63.5	Low	43 Å²	43	54.2 Å²	54.2	23%	0.225	30%	0.296	C	S	.	.			trans	-69.7	143.6	175.3	-70.1	179.1	0	0	0	111.7	T632 C648 C651 F655	T632-L653 HydrophobicContact CG2-CD2 3.76Å; C648-L653 WeakPolarHBondContact CB-O 3.47Å; C648-L653 PolarHBondContact N-O 3.02Å; C651-L653 PolarHBondContact O-N 3.45Å; C651-L653 VanDerWaalsContact SG-CG 3.58Å; L653-F655 HydrophobicContact CB-CD2 4.44Å; L653-F655 HydrophobicContact CB-CE2 3.5Å; L653-F655 HydrophobicContact CB-CZ 3.79Å; L653-F655 HydrophobicContact CD1-CZ 4.24Å; L653-F655 WeakPolarHBondContact O-CE2 3.39Å
654	Y	65.4	Low	64.1	Low	49 Å²	49	53.6 Å²	53.6	19%	0.192	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145	177	-61.1	-89.7	0	0	0	110.6	C635 M645 Y646 R647	C635-Y654 WeakPolarHBondContact CB-O 3.45Å; C635-Y654 PolarHBondContact SG-O 3.3Å; C635-Y654 VanDerWaalsContact SG-O 3.37Å; M645-Y654 HydrophobicContact CB-CD1 4.43Å; Y646-Y654 CarbonylContact O-C 3.53Å; Y646-Y654 WeakPolarHBondContact O-CA 3.44Å; R647-Y654 HydrophobicContact CB-CD1 3.85Å; R647-Y654 HydrophobicContact CB-CE1 3.78Å; R647-Y654 HydrophobicContact CG-CD1 4.21Å; R647-Y654 HydrophobicContact CG-CE1 3.88Å; R647-Y654 PolarHBondContact NH1-OH 2.64Å; R647-Y654 VanDerWaalsContact NH1-OH 3.09Å
655	F	65.8	Low	64.3	Low	30 Å²	30	49.8 Å²	49.8	13%	0.132	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.5	-177.4	-58.8	-97.4	0	0	0	110.5	Y646 C648 L653 L660 V661 H664	Y646-F655 PolarHBondContact N-O 2.7Å; Y646-F655 PolarHBondContact O-N 3.05Å; C648-F655 HydrophobicContact CB-CE2 4.03Å; L653-F655 HydrophobicContact CB-CD2 4.44Å; L653-F655 HydrophobicContact CB-CE2 3.5Å; L653-F655 HydrophobicContact CB-CZ 3.79Å; L653-F655 HydrophobicContact CD1-CZ 4.24Å; L653-F655 WeakPolarHBondContact O-CE2 3.39Å; F655-L660 HydrophobicContact CB-CB 4.18Å; F655-L660 HydrophobicContact CD1-CB 4.04Å; F655-L660 HydrophobicContact CG-CB 4.49Å; F655-V661 HydrophobicContact CB-CG2 3.56Å; F655-V661 HydrophobicContact CD2-CB 4.42Å; F655-V661 HydrophobicContact CD2-CG2 3.56Å; F655-V661 HydrophobicContact CE2-CG2 4.45Å; F655-V661 HydrophobicContact CG-CG2 3.71Å; F655-H664 HydrophobicContact CE1-CB 3.91Å; F655-H664 AromaticContact CE1-CG 3.95Å; F655-H664 HydrophobicContact CE2-CB 4.43Å; F655-H664 AromaticContact CE2-CD2 3.62Å; F655-H664 HydrophobicContact CZ-CB 3.72Å; F655-H664 AromaticContact CZ-CD2 3.29Å; F655-H664 WeakPolarHBondContact CZ-CD2 3.23Å; F655-H664 AromaticContact CZ-CG 3.33Å; F655-H664 AromaticContact CZ-ND1 3.88Å; F655-H664 AromaticContact CZ-NE2 3.84Å
656	S	60.3	Low	64.6	Low	26 Å²	26	54.6 Å²	54.6	18%	0.182	29%	0.288	C	S	.	.	S	Bend	trans	-70.7	-29	179.7	45	0	0	0	0	113.8	E300 L660	E300-S656 WeakPolarHBondContact OE1-CB 3.48Å; E300-S656 PolarHBondContact OE1-OG 2.82Å; E300-S656 PolarHBondContact OE2-OG 3.11Å; S656-L660 WeakPolarHBondContact OG-CD1 3.35Å
657	T	62.2	Low	64.6	Low	56 Å²	56	57.8 Å²	57.8	34%	0.344	31%	0.309	S	S	.	.	S	Bend	trans	-136.3	153.1	-178.1	76.4	0	0	0	0	113.3	Y646 K659 L660 V661	Y646-T657 VanDerWaalsContact CD2-C 3.44Å; T657-K659 PolarHBondContact O-N 3.3Å; T657-L660 PolarHBondContact O-N 3.48Å; T657-L660 PolarHBondContact OG1-N 3.3Å; T657-V661 PolarHBondContact O-N 3.35Å
658	L	66.4	Low	64.4	Low	76 Å²	76	53.7 Å²	53.7	40%	0.398	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-33.3	175.9	-174.5	64.9	0	0	0	112.5	Y646 V661 S662 I678	Y646-L658 HydrophobicContact CD1-CB 4.27Å; Y646-L658 HydrophobicContact CD1-CD1 3.91Å; Y646-L658 HydrophobicContact CE1-CB 3.95Å; Y646-L658 HydrophobicContact CE1-CD1 3.99Å; Y646-L658 HydrophobicContact CE1-CG 4.46Å; Y646-L658 HydrophobicContact CE2-CB 4.21Å; L658-V661 PolarHBondContact O-N 3.35Å; L658-S662 WeakPolarHBondContact O-CB 3.16Å; L658-S662 PolarHBondContact O-N 3.32Å; L658-I678 HydrophobicContact CD1-CG2 4.08Å
659	K	67.7	Low	63.8	Low	172 Å²	172	59.8 Å²	59.8	75%	0.748	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-45.1	176.7	-69.9	-178.2	179.3	177.9	0	111.5	T657 V661 S662 S663	T657-K659 PolarHBondContact O-N 3.3Å; K659-V661 VanDerWaalsContact C-N 3.34Å; K659-V661 PolarHBondContact O-N 3.45Å; K659-S662 WeakPolarHBondContact O-CB 3.37Å; K659-S662 PolarHBondContact O-N 3.27Å; K659-S662 VanDerWaalsContact O-N 3.17Å; K659-S663 PolarHBondContact O-N 3.21Å; K659-S663 PolarHBondContact O-OG 2.91Å
660	L	66.1	Low	63.7	Low	72 Å²	72	63.2 Å²	63.2	38%	0.377	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.8	-87.1	155.1	0	0	0	111.8	E300 F655 S656 T657 H664	E300-L660 WeakPolarHBondContact OE2-CD1 3.38Å; F655-L660 HydrophobicContact CB-CB 4.18Å; F655-L660 HydrophobicContact CD1-CB 4.04Å; F655-L660 HydrophobicContact CG-CB 4.49Å; S656-L660 WeakPolarHBondContact OG-CD1 3.35Å; T657-L660 PolarHBondContact O-N 3.48Å; T657-L660 PolarHBondContact OG1-N 3.3Å; L660-H664 VanDerWaalsContact O-CB 3.28Å; L660-H664 WeakPolarHBondContact O-CB 3.49Å; L660-H664 PolarHBondContact O-N 2.8Å
661	V	70.5	Confident	63.5	Low	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-44.3	171.7	-168.3	0	0	0	0	111.8	Y646 C648 F655 T657 L658 K659 S663 H664 M665 T681	Y646-V661 VanDerWaalsContact CB-CG2 3.42Å; Y646-V661 HydrophobicContact CG-CG2 4.43Å; C648-V661 HydrophobicContact CB-CG1 4.47Å; F655-V661 HydrophobicContact CB-CG2 3.56Å; F655-V661 HydrophobicContact CD2-CB 4.42Å; F655-V661 HydrophobicContact CD2-CG2 3.56Å; F655-V661 HydrophobicContact CE2-CG2 4.45Å; F655-V661 HydrophobicContact CG-CG2 3.71Å; T657-V661 PolarHBondContact O-N 3.35Å; L658-V661 PolarHBondContact O-N 3.35Å; K659-V661 VanDerWaalsContact C-N 3.34Å; K659-V661 PolarHBondContact O-N 3.45Å; V661-S663 PolarHBondContact O-N 3.27Å; V661-H664 CarbonylContact O-C 3.6Å; V661-H664 WeakPolarHBondContact O-CA 3.47Å; V661-H664 WeakPolarHBondContact O-CB 3.48Å; V661-H664 PolarHBondContact O-N 3.31Å; V661-M665 HydrophobicContact CG1-CE 3.67Å; V661-M665 HydrophobicContact CG1-CG 4.2Å; V661-M665 HydrophobicContact CG1-SD 4.39Å; V661-M665 WeakPolarHBondContact O-CG 3.39Å; V661-M665 PolarHBondContact O-N 3.22Å; V661-T681 HydrophobicContact CB-CG2 4.09Å; V661-T681 HydrophobicContact CG1-CG2 3.69Å; V661-T681 HydrophobicContact CG2-CG2 3.92Å
662	S	70.6	Confident	63.1	Low	40 Å²	40	66 Å²	66	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-55.7	-49.5	180	-174.2	0	0	0	0	111.5	L658 K659 H664 M665 I678	L658-S662 WeakPolarHBondContact O-CB 3.16Å; L658-S662 PolarHBondContact O-N 3.32Å; K659-S662 WeakPolarHBondContact O-CB 3.37Å; K659-S662 PolarHBondContact O-N 3.27Å; K659-S662 VanDerWaalsContact O-N 3.17Å; S662-H664 VanDerWaalsContact C-N 3.33Å; S662-H664 PolarHBondContact O-N 3.17Å; S662-M665 WeakPolarHBondContact O-CB 3.4Å; S662-M665 PolarHBondContact O-N 3.41Å; S662-I678 WeakPolarHBondContact OG-CD1 3.45Å
663	S	66.1	Low	63	Low	75 Å²	75	68.9 Å²	68.9	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-66.3	-34.6	175.6	-60.8	0	0	0	0	112.3	K659 V661 E666	K659-S663 PolarHBondContact O-N 3.21Å; K659-S663 PolarHBondContact O-OG 2.91Å; V661-S663 PolarHBondContact O-N 3.27Å; S663-E666 WeakPolarHBondContact O-CB 3.4Å; S663-E666 PolarHBondContact O-N 2.95Å
664	H	70	Confident	62.7	Low	30 Å²	30	72 Å²	72	14%	0.139	39%	0.388	C	S	.	.	H	α-helix	trans	-67.6	-31.5	172.8	178.5	65.9	0	0	0	113.2	C651 F655 L660 V661 S662 E666 L667 H668	C651-H664 PolarHBondContact SG-NE2 2.87Å; F655-H664 HydrophobicContact CE1-CB 3.91Å; F655-H664 AromaticContact CE1-CG 3.95Å; F655-H664 HydrophobicContact CE2-CB 4.43Å; F655-H664 AromaticContact CE2-CD2 3.62Å; F655-H664 HydrophobicContact CZ-CB 3.72Å; F655-H664 AromaticContact CZ-CD2 3.29Å; F655-H664 WeakPolarHBondContact CZ-CD2 3.23Å; F655-H664 AromaticContact CZ-CG 3.33Å; F655-H664 AromaticContact CZ-ND1 3.88Å; F655-H664 AromaticContact CZ-NE2 3.84Å; L660-H664 VanDerWaalsContact O-CB 3.28Å; L660-H664 WeakPolarHBondContact O-CB 3.49Å; L660-H664 PolarHBondContact O-N 2.8Å; V661-H664 CarbonylContact O-C 3.6Å; V661-H664 WeakPolarHBondContact O-CA 3.47Å; V661-H664 WeakPolarHBondContact O-CB 3.48Å; V661-H664 PolarHBondContact O-N 3.31Å; S662-H664 VanDerWaalsContact C-N 3.33Å; S662-H664 PolarHBondContact O-N 3.17Å; H664-E666 PolarHBondContact O-N 3.46Å; H664-L667 WeakPolarHBondContact O-CB 3.45Å; H664-L667 PolarHBondContact O-N 3.07Å; H664-L667 VanDerWaalsContact O-N 3.09Å; H664-H668 AromaticContact CD2-NE2 3.7Å; H664-H668 AromaticContact CE1-NE2 3.44Å; H664-H668 PolarHBondContact CE1-NE2 3.49Å; H664-H668 AromaticContact NE2-CD2 3.8Å; H664-H668 AromaticContact NE2-NE2 2.97Å; H664-H668 PolarHBondContact NE2-NE2 3.21Å; H664-H668 PolarHBondContact O-CD2 3.02Å
665	M	60.9	Low	62.2	Low	5 Å²	5	77 Å²	77	3%	0.025	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-26.8	175.7	-71.2	-49.7	89	0	0	111.3	C648 V661 S662 L667 H668 F676 I678	C648-M665 HydrophobicContact CB-CE 3.75Å; C648-M665 WeakPolarHBondContact SG-CE 3.35Å; V661-M665 HydrophobicContact CG1-CE 3.67Å; V661-M665 HydrophobicContact CG1-CG 4.2Å; V661-M665 HydrophobicContact CG1-SD 4.39Å; V661-M665 WeakPolarHBondContact O-CG 3.39Å; V661-M665 PolarHBondContact O-N 3.22Å; S662-M665 WeakPolarHBondContact O-CB 3.4Å; S662-M665 PolarHBondContact O-N 3.41Å; M665-L667 PolarHBondContact O-N 3.41Å; M665-H668 PolarHBondContact O-N 2.76Å; M665-F676 HydrophobicContact CG-CE1 4.2Å; M665-F676 HydrophobicContact SD-CE1 4Å; M665-F676 HydrophobicContact SD-CZ 4.01Å; M665-I678 HydrophobicContact CB-CG1 4.44Å; M665-I678 HydrophobicContact CG-CG1 4.05Å
666	E	70.8	Confident	61.6	Low	102 Å²	102	77.2 Å²	77.2	48%	0.477	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.2	175.6	-60.4	-163.3	-134.9	0	0	113.6	S663 H664 H668 K669	S663-E666 WeakPolarHBondContact O-CB 3.4Å; S663-E666 PolarHBondContact O-N 2.95Å; H664-E666 PolarHBondContact O-N 3.46Å; E666-H668 VanDerWaalsContact C-N 3.29Å; E666-K669 HydrophobicContact CB-CD 4.41Å; E666-K669 VanDerWaalsContact O-CD 3.26Å; E666-K669 WeakPolarHBondContact O-CD 3.34Å; E666-K669 VanDerWaalsContact O-CG 3.27Å; E666-K669 WeakPolarHBondContact O-CG 3.23Å; E666-K669 IonicContact OE2-NZ 2.74Å; E666-K669 PolarHBondContact OE2-NZ 2.65Å
667	L	62.7	Low	61.5	Low	125 Å²	125	79.4 Å²	79.4	65%	0.654	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-79.5	-12.4	174.1	-58.1	176.6	0	0	0	113.1	H664 M665	H664-L667 WeakPolarHBondContact O-CB 3.45Å; H664-L667 PolarHBondContact O-N 3.07Å; H664-L667 VanDerWaalsContact O-N 3.09Å; M665-L667 PolarHBondContact O-N 3.41Å
668	H	60.3	Low	61.3	Low	25 Å²	25	79.5 Å²	79.5	12%	0.116	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-102.9	9.3	177.9	-61.1	-74.7	0	0	0	112.8	V650 H664 M665 E666 D670 H671 L672	V650-H668 HydrophobicContact CG1-CB 4.33Å; H664-H668 AromaticContact CD2-NE2 3.7Å; H664-H668 AromaticContact CE1-NE2 3.44Å; H664-H668 PolarHBondContact CE1-NE2 3.49Å; H664-H668 AromaticContact NE2-CD2 3.8Å; H664-H668 AromaticContact NE2-NE2 2.97Å; H664-H668 PolarHBondContact NE2-NE2 3.21Å; H664-H668 PolarHBondContact O-CD2 3.02Å; M665-H668 PolarHBondContact O-N 2.76Å; E666-H668 VanDerWaalsContact C-N 3.29Å; H668-D670 PolarHBondContact O-N 3.39Å; H668-H671 CarbonylContact O-C 3.47Å; H668-H671 WeakPolarHBondContact O-CA 3.43Å; H668-H671 PolarHBondContact O-N 2.88Å; H668-L672 HydrophobicContact CB-CD1 3.4Å; H668-L672 VanDerWaalsContact O-CD1 3.23Å; H668-L672 WeakPolarHBondContact O-CD1 3.1Å; H668-L672 PolarHBondContact O-N 3.34Å
669	K	58.3	Low	60.6	Low	127 Å²	127	83.5 Å²	83.5	55%	0.552	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-31.9	-177.4	-80.3	169.4	-176.8	161.8	0	114.5	E666 H671	E666-K669 HydrophobicContact CB-CD 4.41Å; E666-K669 VanDerWaalsContact O-CD 3.26Å; E666-K669 WeakPolarHBondContact O-CD 3.34Å; E666-K669 VanDerWaalsContact O-CG 3.27Å; E666-K669 WeakPolarHBondContact O-CG 3.23Å; E666-K669 IonicContact OE2-NZ 2.74Å; E666-K669 PolarHBondContact OE2-NZ 2.65Å; K669-H671 VanDerWaalsContact C-N 3.3Å; K669-H671 PolarHBondContact O-N 3.49Å
670	D	55.6	Low	60	Low	134 Å²	134	79.7 Å²	79.7	72%	0.717	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.7	178.3	-51.1	-41.1	0	0	0	114.1	H668	H668-D670 PolarHBondContact O-N 3.39Å
671	H	55.9	Low	59.6	Low	119 Å²	119	76.7 Å²	76.7	55%	0.551	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.9	6.4	-173.5	-53.8	-36.8	0	0	0	112.6	H668 K669	H668-H671 CarbonylContact O-C 3.47Å; H668-H671 WeakPolarHBondContact O-CA 3.43Å; H668-H671 PolarHBondContact O-N 2.88Å; K669-H671 VanDerWaalsContact C-N 3.3Å; K669-H671 PolarHBondContact O-N 3.49Å
672	L	52.9	Low	58.9	Low	57 Å²	57	83.6 Å²	83.6	30%	0.298	44%	0.443	S	S	.	.			trans	-80.4	131.5	175.9	-110	70.7	0	0	0	110.5	V650 H668 F676	V650-L672 HydrophobicContact CG2-CD1 4.48Å; H668-L672 HydrophobicContact CB-CD1 3.4Å; H668-L672 VanDerWaalsContact O-CD1 3.23Å; H668-L672 WeakPolarHBondContact O-CD1 3.1Å; H668-L672 PolarHBondContact O-N 3.34Å; L672-F676 HydrophobicContact CD1-CD1 4.47Å; L672-F676 HydrophobicContact CD2-CB 4.23Å; L672-F676 HydrophobicContact CD2-CD1 3.45Å; L672-F676 VanDerWaalsContact CD2-CD1 3.45Å; L672-F676 HydrophobicContact CD2-CE1 4.15Å; L672-F676 HydrophobicContact CD2-CG 4.1Å; L672-F676 HydrophobicContact CG-CB 4.09Å; L672-F676 HydrophobicContact CG-CD1 3.71Å; L672-F676 HydrophobicContact CG-CE1 4.35Å; L672-F676 HydrophobicContact CG-CG 3.95Å
673	P	55.3	Low	57.9	Low	83 Å²	83	86.7 Å²	86.7	54%	0.539	45%	0.454	S	S	.	.			trans	-57.7	147.3	164.9	-23.8	33.4	0	0	0	111.8	D675 F676	P673-D675 PolarHBondContact O-N 3.37Å; P673-D675 VanDerWaalsContact O-N 3.11Å; P673-F676 HydrophobicContact CB-CB 4.38Å; P673-F676 VanDerWaalsContact O-CB 3.25Å; P673-F676 WeakPolarHBondContact O-CB 3.35Å; P673-F676 PolarHBondContact O-N 2.77Å
674	A	52.3	Low	57.4	Low	109 Å²	109	88.3 Å²	88.3	90%	0.901	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-177	0	0	0	0	0	114.3
675	D	55.6	Low	56.4	Low	154 Å²	154	91.6 Å²	91.6	82%	0.824	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	14.6	179.1	-56.2	-49.2	0	0	0	113.2	P673 N677	P673-D675 PolarHBondContact O-N 3.37Å; P673-D675 VanDerWaalsContact O-N 3.11Å; D675-N677 PolarHBondContact O-N 3.41Å
676	F	53.7	Low	55.5	Low	34 Å²	34	95.8 Å²	95.8	15%	0.149	49%	0.491	C	S	.	.			trans	-71.7	129.2	-177.2	-176.1	-93	0	0	0	112.5	T649 M665 L672 P673 Q680	T649-F676 WeakPolarHBondContact OG1-CE2 3.27Å; M665-F676 HydrophobicContact CG-CE1 4.2Å; M665-F676 HydrophobicContact SD-CE1 4Å; M665-F676 HydrophobicContact SD-CZ 4.01Å; L672-F676 HydrophobicContact CD1-CD1 4.47Å; L672-F676 HydrophobicContact CD2-CB 4.23Å; L672-F676 HydrophobicContact CD2-CD1 3.45Å; L672-F676 VanDerWaalsContact CD2-CD1 3.45Å; L672-F676 HydrophobicContact CD2-CE1 4.15Å; L672-F676 HydrophobicContact CD2-CG 4.1Å; L672-F676 HydrophobicContact CG-CB 4.09Å; L672-F676 HydrophobicContact CG-CD1 3.71Å; L672-F676 HydrophobicContact CG-CE1 4.35Å; L672-F676 HydrophobicContact CG-CG 3.95Å; P673-F676 HydrophobicContact CB-CB 4.38Å; P673-F676 VanDerWaalsContact O-CB 3.25Å; P673-F676 WeakPolarHBondContact O-CB 3.35Å; P673-F676 PolarHBondContact O-N 2.77Å; F676-Q680 HydrophobicContact CE2-CB 4.29Å
677	N	58.1	Low	54.5	Low	73 Å²	73	97 Å²	97	39%	0.39	50%	0.496	S	S	.	.			trans	-117.5	136.1	176.5	-179.6	-6.6	0	0	0	109.7	D675 E679 Q680	D675-N677 PolarHBondContact O-N 3.41Å; N677-E679 PolarHBondContact ND2-OE2 2.8Å; N677-E679 PolarHBondContact O-N 2.91Å; N677-E679 VanDerWaalsContact O-N 3.11Å; N677-E679 WeakPolarHBondContact OD1-CG 3.18Å; N677-E679 PolarHBondContact OD1-N 3.47Å; N677-Q680 VanDerWaalsContact O-CB 3.28Å; N677-Q680 WeakPolarHBondContact O-CB 3.3Å; N677-Q680 WeakPolarHBondContact O-CG 3.28Å; N677-Q680 PolarHBondContact O-N 2.94Å
678	I	57.7	Low	53.3	Low	57 Å²	57	95 Å²	95	29%	0.292	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.5	174.9	-84.8	157	0	0	0	112.7	L658 S662 M665 Q680 T681	L658-I678 HydrophobicContact CD1-CG2 4.08Å; S662-I678 WeakPolarHBondContact OG-CD1 3.45Å; M665-I678 HydrophobicContact CB-CG1 4.44Å; M665-I678 HydrophobicContact CG-CG1 4.05Å; I678-Q680 PolarHBondContact O-N 3.46Å; I678-Q680 VanDerWaalsContact O-N 3.15Å; I678-T681 WeakPolarHBondContact O-CB 3.41Å; I678-T681 PolarHBondContact O-N 3.24Å; I678-T681 PolarHBondContact O-OG1 3.31Å
679	E	52.5	Low	52.3	Low	160 Å²	160	102.3 Å²	102.3	75%	0.748	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-62	-14.5	172.1	-64.8	176.7	150	0	0	113.9	N677 T681	N677-E679 PolarHBondContact ND2-OE2 2.8Å; N677-E679 PolarHBondContact O-N 2.91Å; N677-E679 VanDerWaalsContact O-N 3.11Å; N677-E679 WeakPolarHBondContact OD1-CG 3.18Å; N677-E679 PolarHBondContact OD1-N 3.47Å; E679-T681 PolarHBondContact O-N 2.97Å
680	Q	53.5	Low	51.3	Low	92 Å²	92	102 Å²	102	43%	0.43	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-75.1	-0.3	169.8	-62.3	-178.9	-18.4	0	0	113.2	T649 F676 N677 I678 F682	T649-Q680 WeakPolarHBondContact CG2-O 3.26Å; F676-Q680 HydrophobicContact CE2-CB 4.29Å; N677-Q680 VanDerWaalsContact O-CB 3.28Å; N677-Q680 WeakPolarHBondContact O-CB 3.3Å; N677-Q680 WeakPolarHBondContact O-CG 3.28Å; N677-Q680 PolarHBondContact O-N 2.94Å; I678-Q680 PolarHBondContact O-N 3.46Å; I678-Q680 VanDerWaalsContact O-N 3.15Å; Q680-F682 VanDerWaalsContact O-CD2 3.28Å; Q680-F682 WeakPolarHBondContact O-CD2 3.43Å; Q680-F682 VanDerWaalsContact O-CE2 3.3Å; Q680-F682 WeakPolarHBondContact O-CE2 3.28Å; Q680-F682 PolarHBondContact O-N 2.73Å
681	T	57.9	Low	50.1	Low	10 Å²	10	100.4 Å²	100.4	6%	0.061	52%	0.522	C	S	.	.	S	Bend	trans	-74.7	103.4	171.8	-54.1	0	0	0	0	109.8	Y646 R647 V661 I678 E679	Y646-T681 HydrophobicContact CD1-CG2 4.21Å; Y646-T681 HydrophobicContact CG-CG2 4.49Å; R647-T681 WeakPolarHBondContact O-CG2 3.41Å; V661-T681 HydrophobicContact CB-CG2 4.09Å; V661-T681 HydrophobicContact CG1-CG2 3.69Å; V661-T681 HydrophobicContact CG2-CG2 3.92Å; I678-T681 WeakPolarHBondContact O-CB 3.41Å; I678-T681 PolarHBondContact O-N 3.24Å; I678-T681 PolarHBondContact O-OG1 3.31Å; E679-T681 PolarHBondContact O-N 2.97Å
682	F	56.8	Low	49	Very low	144 Å²	144	103 Å²	103	63%	0.632	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.2	-177.5	-61.9	-78.1	0	0	0	112.4	R647 T649 Q680	R647-F682 PolarHBondContact N-O 3.15Å; T649-F682 HydrophobicContact CG2-CD2 3.83Å; T649-F682 HydrophobicContact CG2-CE2 3.9Å; Q680-F682 VanDerWaalsContact O-CD2 3.28Å; Q680-F682 WeakPolarHBondContact O-CD2 3.43Å; Q680-F682 VanDerWaalsContact O-CE2 3.3Å; Q680-F682 WeakPolarHBondContact O-CE2 3.28Å; Q680-F682 PolarHBondContact O-N 2.73Å
683	M	49.6	Very low	48	Very low	105 Å²	105	108 Å²	108	52%	0.517	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	112.2	173.2	-164.3	173.3	62	0	0	108.8	L644 M645 Y646	L644-M683 HydrophobicContact CB-CG 4.29Å; L644-M683 HydrophobicContact CB-SD 4.39Å; L644-M683 HydrophobicContact CD1-SD 4.43Å; L644-M683 HydrophobicContact CD2-CE 3.82Å; L644-M683 HydrophobicContact CD2-CG 3.74Å; L644-M683 HydrophobicContact CD2-SD 3.86Å; L644-M683 HydrophobicContact CG-SD 4.48Å; M645-M683 CarbonylContact O-C 3.58Å; M645-M683 WeakPolarHBondContact O-CA 3.41Å; Y646-M683 HydrophobicContact CE1-CB 4.45Å; Y646-M683 HydrophobicContact CE1-CG 4.33Å; Y646-M683 HydrophobicContact CE1-SD 4.31Å
684	Y	54.1	Low	46.8	Very low	109 Å²	109	109.9 Å²	109.9	43%	0.427	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90	137.6	-177.1	-163.9	-92.6	0	0	0	110.6	M645	M645-Y684 PolarHBondContact N-O 2.91Å; M645-Y684 PolarHBondContact O-N 3.47Å
685	N	50.9	Low	46.1	Very low	99 Å²	99	109.8 Å²	109.8	53%	0.529	58%	0.576	S	S	.	*			trans	-155.1	17.5	-169.3	-157.5	43.9	0	0	0	115.8	L644	L644-N685 HydrophobicContact CD2-CB 3.58Å; L644-N685 WeakPolarHBondContact CD2-OD1 3.25Å; L644-N685 WeakPolarHBondContact CG-OD1 3.39Å
686	D	41.4	Very low	45	Very low	94 Å²	94	105.7 Å²	105.7	50%	0.503	57%	0.57	S	S	.	*			trans	-115.9	140.6	-171.9	-152.6	-23.9	0	0	0	112.4	S688	D686-S688 PolarHBondContact OD1-OG 3.11Å
687	H	49.5	Very low	43.8	Very low	126 Å²	126	115.9 Å²	115.9	58%	0.583	63%	0.626	S	S	*	*			trans	-121.5	15.5	-155.6	-124.6	-31.4	0	0	0	112	H640 A641 G642	H640-H687 PolarHBondContact O-CE1 3.21Å; A641-H687 PolarHBondContact O-NE2 3.49Å; G642-H687 WeakPolarHBondContact CA-NE2 3.45Å; G642-H687 PolarHBondContact N-CE1 3.11Å; G642-H687 VanDerWaalsContact N-CE1 3.35Å; G642-H687 PolarHBondContact N-NE2 3.02Å
688	S	38.4	Very low	43	Very low	84 Å²	84	118 Å²	118	59%	0.587	64%	0.638	S	S	*	*	S	Bend	trans	-136.8	12.9	-153.7	65.5	0	0	0	0	116.9	D686	D686-S688 PolarHBondContact OD1-OG 3.11Å
689	K	37.7	Very low	42.3	Very low	178 Å²	178	121.2 Å²	121.2	77%	0.774	66%	0.656	S	S	*	*			trans	-136.8	14.8	-171.4	-70.9	-171.8	-179.6	171.2	0	118.3
690	E	37.8	Very low	41.7	Very low	120 Å²	120	119.1 Å²	119.1	56%	0.561	65%	0.651	S	S	*	*	S	Bend	trans	-92.2	122.2	161	-73.7	-168.7	156.4	0	0	109	H640 L692	H640-E690 IonicContact CE1-OE1 2.6Å; H640-E690 IonicContact CE1-OE2 3.58Å; H640-E690 PolarHBondContact CE1-OE2 2.8Å; E690-L692 PolarHBondContact O-N 2.99Å
691	P	31.3	Very low	41	Very low	102 Å²	102	120.6 Å²	120.6	66%	0.662	66%	0.664	S	S	*	*			trans	-71.5	115	178.7	-15.2	29.7	0	0	0	111.1	L693	P691-L693 PolarHBondContact O-N 2.75Å
692	L	32.3	Very low	40	Very low	173 Å²	173	127.6 Å²	127.6	91%	0.906	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-64.2	117.8	168.3	-67.6	170.9	0	0	0	109.4	E690	E690-L692 PolarHBondContact O-N 2.99Å
693	L	32.1	Very low	38.8	Very low	163 Å²	163	126.5 Å²	126.5	85%	0.853	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.6	173.4	-72.8	171.7	0	0	0	109.8	P691	P691-L693 PolarHBondContact O-N 2.75Å
694	P	29.6	Very low	38.1	Very low	122 Å²	122	128 Å²	128	79%	0.792	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-69.7	134	-177.6	27.9	-34.2	0	0	0	111.6
695	A	37.5	Very low	36.8	Very low	107 Å²	107	129.5 Å²	129.5	88%	0.884	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-73.7	136.6	164.3	0	0	0	0	0	110
696	G	32.5	Very low	35.7	Very low	67 Å²	67	132 Å²	132	69%	0.691	76%	0.76	S	S	*	*			trans	-175.6	105.4	177.5	0	0	0	0	0	113.1
697	D	27.8	Very low	35.1	Very low	248 Å²	248	135.5 Å²	135.5	100%	1.326	78%	0.784	S	S	*	*			trans	37.8	0	145.5	-52.1	-24.2	0	0	0	120.9

Retrieved 697 of 697 residues in 820.2 ms (Link to these results)

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