A0A096NAF5_PAPAN Loading...

Zinc finger and BTB domain containing 39

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NAF5, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB39, Length 712 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.4	Very low	31.3	Very low	222 Å²	222	119.1 Å²	119.1	100%	1.094	62%	0.615	S	S	*	*				0	142.1	0	-69.1	-174.3	177	0	0	108
2	G	26.3	Very low	31.9	Very low	58 Å²	58	119.3 Å²	119.3	60%	0.598	61%	0.611	S	S	*	*			trans	-85.3	148.9	174.4	0	0	0	0	0	112.3	R4	G2-R4 PolarHBondContact O-N 2.85Å
3	M	29.3	Very low	32.2	Very low	122 Å²	122	115.1 Å²	115.1	60%	0.601	60%	0.596	S	S	*	*			trans	-76.6	88.7	179.1	-174.3	175.3	62.6	0	0	111.3	I5 V32	M3-I5 HydrophobicContact CE-CD1 4.18Å; M3-I5 HydrophobicContact CE-CG1 4.5Å; M3-I5 HydrophobicContact CG-CG1 4.2Å; M3-I5 PolarHBondContact O-N 3.3Å; M3-V32 HydrophobicContact CE-CG1 4.31Å
4	R	29.9	Very low	32.5	Very low	168 Å²	168	114.2 Å²	114.2	63%	0.634	59%	0.593	S	S	*	*			trans	-84.6	90.4	177.9	-176.3	178.9	-73.9	162.2	-5.8	111.3	G2 K6 V71	G2-R4 PolarHBondContact O-N 2.85Å; R4-K6 PolarHBondContact O-N 3.02Å; R4-K6 VanDerWaalsContact O-N 3.14Å; R4-V71 HydrophobicContact CG-CG1 4.14Å
5	I	33	Very low	32.8	Very low	93 Å²	93	111.2 Å²	111.2	48%	0.477	58%	0.578	S	S	.	*			trans	-71.7	105.2	173.2	-51.1	179.9	0	0	0	109.3	M3 L7	M3-I5 HydrophobicContact CE-CD1 4.18Å; M3-I5 HydrophobicContact CE-CG1 4.5Å; M3-I5 HydrophobicContact CG-CG1 4.2Å; M3-I5 PolarHBondContact O-N 3.3Å; I5-L7 HydrophobicContact CG2-CD2 3.78Å; I5-L7 HydrophobicContact CG2-CG 3.93Å
6	K	29.8	Very low	33.2	Very low	145 Å²	145	105.3 Å²	105.3	63%	0.63	55%	0.547	S	S	*	.			trans	-83.2	109.5	165.4	-87.1	-172.8	171.5	-175.6	0	109.1	R4	R4-K6 PolarHBondContact O-N 3.02Å; R4-K6 VanDerWaalsContact O-N 3.14Å
7	L	33.4	Very low	33.5	Very low	57 Å²	57	103.5 Å²	103.5	30%	0.298	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	-95.2	135.2	166.7	-61.7	179.8	0	0	0	110	I5 L16	I5-L7 HydrophobicContact CG2-CD2 3.78Å; I5-L7 HydrophobicContact CG2-CG 3.93Å; L7-L16 HydrophobicContact CB-CD1 4.19Å; L7-L16 HydrophobicContact CD1-CD1 4.18Å; L7-L16 HydrophobicContact CD1-CD2 4.34Å; L7-L16 HydrophobicContact CD1-CG 4.47Å
8	Q	31.7	Very low	33.8	Very low	166 Å²	166	105.2 Å²	105.2	78%	0.776	54%	0.541	S	S	*	.			trans	-134.5	111.6	178.7	-160.1	172	10.2	0	0	107.9
9	S	33.4	Very low	34	Very low	51 Å²	51	104.2 Å²	104.2	36%	0.357	53%	0.533	S	S	.	.			trans	-136.9	123.7	175.9	-169.3	0	0	0	0	107.8
10	T	37.5	Very low	34.3	Very low	108 Å²	108	103 Å²	103	66%	0.663	53%	0.527	S	S	*	.	S	Bend	trans	-87.2	-14.7	-172.4	44.7	0	0	0	0	113.6
11	N	35.6	Very low	34.4	Very low	120 Å²	120	104.2 Å²	104.2	64%	0.642	54%	0.535	S	S	*	.	S	Bend	trans	-149.4	120.6	-179.1	-86.3	-67.5	0	0	0	113.3	N15	N11-N15 PolarHBondContact O-ND2 3.12Å
12	H	38.3	Very low	34.8	Very low	122 Å²	122	100 Å²	100	57%	0.565	51%	0.511	S	S	*	.			trans	70.3	129.1	159.4	-154.2	67	0	0	0	117.4	N14 N15	H12-N14 VanDerWaalsContact C-N 3.26Å; H12-N14 PolarHBondContact CD2-ND2 3.33Å; H12-N14 PolarHBondContact NE2-ND2 3.16Å; H12-N14 PolarHBondContact O-N 3.27Å; H12-N14 VanDerWaalsContact O-N 3.13Å; H12-N15 WeakPolarHBondContact O-CB 3.42Å; H12-N15 PolarHBondContact O-N 2.63Å
13	P	35.9	Very low	35.4	Very low	64 Å²	64	101.3 Å²	101.3	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-25.3	-171.3	24.9	-35.2	0	0	0	114.4	N15 L16 L17	P13-N15 PolarHBondContact O-N 3.41Å; P13-L16 WeakPolarHBondContact O-CB 3.46Å; P13-L16 PolarHBondContact O-N 3.47Å; P13-L17 PolarHBondContact O-N 3.47Å
14	N	36.1	Very low	35.4	Very low	103 Å²	103	106.3 Å²	106.3	55%	0.551	52%	0.522	S	S	*	.	H	α-helix	trans	-62.7	-25.7	174	-69.2	-51.6	0	0	0	113	H12 K18	H12-N14 VanDerWaalsContact C-N 3.26Å; H12-N14 PolarHBondContact CD2-ND2 3.33Å; H12-N14 PolarHBondContact NE2-ND2 3.16Å; H12-N14 PolarHBondContact O-N 3.27Å; H12-N14 VanDerWaalsContact O-N 3.13Å; N14-K18 PolarHBondContact O-N 3.04Å
15	N	37.4	Very low	35.8	Very low	69 Å²	69	101.9 Å²	101.9	37%	0.369	51%	0.511	S	S	.	.	H	α-helix	trans	-74.7	-31	172.4	-73.9	-39.1	0	0	0	112.1	N11 H12 P13 K18 E19	N11-N15 PolarHBondContact O-ND2 3.12Å; H12-N15 WeakPolarHBondContact O-CB 3.42Å; H12-N15 PolarHBondContact O-N 2.63Å; P13-N15 PolarHBondContact O-N 3.41Å; N15-K18 CarbonylContact O-C 3.55Å; N15-K18 WeakPolarHBondContact O-CA 3.3Å; N15-K18 WeakPolarHBondContact O-CB 3.27Å; N15-K18 PolarHBondContact O-N 3.05Å; N15-K18 VanDerWaalsContact O-N 3.12Å; N15-E19 PolarHBondContact O-N 3Å
16	L	39.3	Very low	35.7	Very low	17 Å²	17	100 Å²	100	9%	0.089	51%	0.506	C	S	.	.	H	α-helix	trans	-67.5	-42.3	177.1	-159.9	79.5	0	0	0	111.8	L7 P13 K18 E19 L20 F59	L7-L16 HydrophobicContact CB-CD1 4.19Å; L7-L16 HydrophobicContact CD1-CD1 4.18Å; L7-L16 HydrophobicContact CD1-CD2 4.34Å; L7-L16 HydrophobicContact CD1-CG 4.47Å; P13-L16 WeakPolarHBondContact O-CB 3.46Å; P13-L16 PolarHBondContact O-N 3.47Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 3.32Å; L16-E19 PolarHBondContact O-N 3.39Å; L16-L20 WeakPolarHBondContact O-CB 3.16Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 2.82Å; L16-F59 HydrophobicContact CD2-CD2 4.46Å; L16-F59 HydrophobicContact CD2-CE2 3.4Å; L16-F59 HydrophobicContact CD2-CZ 3.59Å
17	L	38.9	Very low	35.7	Very low	74 Å²	74	102.8 Å²	102.8	39%	0.387	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-33	169.5	-91.5	87.2	0	0	0	111.8	P13 N21	P13-L17 PolarHBondContact O-N 3.47Å; L17-N21 WeakPolarHBondContact O-CB 3.31Å; L17-N21 PolarHBondContact O-N 3.5Å; L17-N21 PolarHBondContact O-ND2 3.25Å
18	K	37.5	Very low	35.6	Very low	135 Å²	135	104.7 Å²	104.7	59%	0.587	54%	0.535	S	S	*	.	H	α-helix	trans	-67.3	-42.9	174.6	-115.6	175.5	-179.7	178.5	0	112.4	N14 N15 L16 N21 K22	N14-K18 PolarHBondContact O-N 3.04Å; N15-K18 CarbonylContact O-C 3.55Å; N15-K18 WeakPolarHBondContact O-CA 3.3Å; N15-K18 WeakPolarHBondContact O-CB 3.27Å; N15-K18 PolarHBondContact O-N 3.05Å; N15-K18 VanDerWaalsContact O-N 3.12Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 3.32Å; K18-N21 PolarHBondContact O-N 2.98Å; K18-K22 WeakPolarHBondContact O-CB 3.47Å; K18-K22 VanDerWaalsContact O-CG 3.27Å; K18-K22 WeakPolarHBondContact O-CG 3.27Å; K18-K22 PolarHBondContact O-N 2.78Å
19	E	38.4	Very low	35.4	Very low	85 Å²	85	103.9 Å²	103.9	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-67.9	-40.6	175.4	-63.1	-45.4	129.8	0	0	111.8	N15 L16 N21 K22 C23	N15-E19 PolarHBondContact O-N 3Å; L16-E19 PolarHBondContact O-N 3.39Å; E19-N21 VanDerWaalsContact C-N 3.26Å; E19-N21 PolarHBondContact O-N 3.16Å; E19-K22 CarbonylContact O-C 3.59Å; E19-K22 PolarHBondContact O-N 3.1Å; E19-K22 VanDerWaalsContact O-N 3.11Å; E19-K22 WeakPolarHBondContact OE1-CD 3.39Å; E19-K22 WeakPolarHBondContact OE1-CE 3.48Å; E19-K22 IonicContact OE1-NZ 2.73Å; E19-K22 PolarHBondContact OE1-NZ 2.86Å; E19-K22 WeakPolarHBondContact OE2-CD 3.3Å; E19-K22 IonicContact OE2-NZ 2.67Å; E19-K22 PolarHBondContact OE2-NZ 3.1Å; E19-C23 PolarHBondContact O-N 3.07Å
20	L	39.8	Very low	35.3	Very low	80 Å²	80	104.5 Å²	104.5	42%	0.419	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-29.2	173.7	-75.9	166.6	0	0	0	113.4	L16	L16-L20 WeakPolarHBondContact O-CB 3.16Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 2.82Å
21	N	35.9	Very low	35.1	Very low	130 Å²	130	104.4 Å²	104.4	70%	0.695	53%	0.532	S	S	*	.	H	α-helix	trans	-85.6	-24	171.5	-77.1	-71.2	0	0	0	113.6	L17 K18 E19	L17-N21 WeakPolarHBondContact O-CB 3.31Å; L17-N21 PolarHBondContact O-N 3.5Å; L17-N21 PolarHBondContact O-ND2 3.25Å; K18-N21 PolarHBondContact O-N 2.98Å; E19-N21 VanDerWaalsContact C-N 3.26Å; E19-N21 PolarHBondContact O-N 3.16Å
22	K	34.4	Very low	35.2	Very low	133 Å²	133	100.1 Å²	100.1	58%	0.578	51%	0.51	S	S	*	.	H	α-helix	trans	-75.1	-25.8	171.3	-80.4	167.5	164.8	-173.1	0	112.5	K18 E19 R24	K18-K22 WeakPolarHBondContact O-CB 3.47Å; K18-K22 VanDerWaalsContact O-CG 3.27Å; K18-K22 WeakPolarHBondContact O-CG 3.27Å; K18-K22 PolarHBondContact O-N 2.78Å; E19-K22 CarbonylContact O-C 3.59Å; E19-K22 PolarHBondContact O-N 3.1Å; E19-K22 VanDerWaalsContact O-N 3.11Å; E19-K22 WeakPolarHBondContact OE1-CD 3.39Å; E19-K22 WeakPolarHBondContact OE1-CE 3.48Å; E19-K22 IonicContact OE1-NZ 2.73Å; E19-K22 PolarHBondContact OE1-NZ 2.86Å; E19-K22 WeakPolarHBondContact OE2-CD 3.3Å; E19-K22 IonicContact OE2-NZ 2.67Å; E19-K22 PolarHBondContact OE2-NZ 3.1Å; K22-R24 PolarHBondContact O-N 3.23Å
23	C	37	Very low	35.1	Very low	85 Å²	85	97.5 Å²	97.5	57%	0.574	50%	0.503	S	S	*	.	S	Bend	trans	-59.3	84.5	158.9	-73.8	0	0	0	0	108.3	E19 L25	E19-C23 PolarHBondContact O-N 3.07Å; C23-L25 PolarHBondContact O-N 2.8Å
24	R	30.1	Very low	35.1	Very low	227 Å²	227	98.1 Å²	98.1	86%	0.857	50%	0.502	S	S	*	.			trans	-58.9	89.1	172.7	-89.5	-179.9	156.3	177.3	-7.9	108.8	K22 S26	K22-R24 PolarHBondContact O-N 3.23Å; R24-S26 PolarHBondContact O-N 2.93Å
25	L	39.3	Very low	35	Very low	76 Å²	76	96.3 Å²	96.3	40%	0.398	50%	0.495	S	S	.	.			trans	-69.5	75.6	157	-68.2	164.6	0	0	0	106.9	C23 C30 K45	C23-L25 PolarHBondContact O-N 2.8Å; L25-C30 HydrophobicContact CD2-CB 4.18Å; L25-K45 VanDerWaalsContact CB-CE 3.49Å; L25-K45 PolarHBondContact O-NZ 3.05Å
26	S	29.3	Very low	34.8	Very low	54 Å²	54	96.4 Å²	96.4	38%	0.378	50%	0.498	S	S	.	.			trans	-56.3	179.1	-172.2	41.2	0	0	0	0	113.5	R24 T28 K45	R24-S26 PolarHBondContact O-N 2.93Å; S26-T28 PolarHBondContact O-N 3.34Å; S26-T28 PolarHBondContact OG-OG1 3.32Å; S26-K45 PolarHBondContact O-NZ 3.46Å
27	E	31.5	Very low	34.9	Very low	202 Å²	202	99.3 Å²	99.3	94%	0.944	53%	0.532	S	S	*	.	S	Bend	trans	-69.4	-12.5	-179.8	-71.5	148.5	119.2	0	0	113.1
28	T	30.1	Very low	34.5	Very low	97 Å²	97	101.4 Å²	101.4	60%	0.595	55%	0.553	S	S	*	*	S	Bend	trans	-71.5	130.5	161.4	43.9	0	0	0	0	110.9	S26 C30	S26-T28 PolarHBondContact O-N 3.34Å; S26-T28 PolarHBondContact OG-OG1 3.32Å; T28-C30 PolarHBondContact O-N 3.4Å
29	M	28	Very low	34.1	Very low	149 Å²	149	101.8 Å²	101.8	73%	0.734	55%	0.55	S	S	*	*			trans	-69.8	104.2	-179.4	-59.9	-154.1	-54.2	0	0	111	D31	M29-D31 PolarHBondContact O-N 3.26Å
30	C	31.3	Very low	33.9	Very low	65 Å²	65	101.3 Å²	101.3	44%	0.439	56%	0.557	S	S	.	*			trans	-79.6	94.3	168.4	-55.5	0	0	0	0	109.4	L25 T28 V32	L25-C30 HydrophobicContact CD2-CB 4.18Å; T28-C30 PolarHBondContact O-N 3.4Å; C30-V32 PolarHBondContact O-N 2.86Å; C30-V32 VanDerWaalsContact O-N 3.09Å
31	D	32.5	Very low	33.7	Very low	105 Å²	105	100 Å²	100	56%	0.561	55%	0.548	S	S	*	.			trans	-66.3	103.9	176.2	-72.1	-41.5	0	0	0	111.2	M29 T33	M29-D31 PolarHBondContact O-N 3.26Å; D31-T33 PolarHBondContact O-N 3.08Å
32	V	38.3	Very low	33.7	Very low	30 Å²	30	98.8 Å²	98.8	18%	0.182	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	90.8	-177.7	-174.3	0	0	0	0	109.1	M3 C30 I34 A43 L48	M3-V32 HydrophobicContact CE-CG1 4.31Å; C30-V32 PolarHBondContact O-N 2.86Å; C30-V32 VanDerWaalsContact O-N 3.09Å; V32-I34 PolarHBondContact O-N 3.36Å; V32-A43 WeakPolarHBondContact CB-O 3.35Å; V32-A43 WeakPolarHBondContact O-CB 3.48Å; V32-A43 PolarHBondContact O-N 2.83Å; V32-L48 HydrophobicContact CG1-CD1 4.45Å; V32-L48 HydrophobicContact CG2-CD1 4.05Å
33	T	35.4	Very low	34	Very low	68 Å²	68	93.4 Å²	93.4	42%	0.417	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.3	-179.2	19	0	0	0	0	111.8	D31 F41	D31-T33 PolarHBondContact O-N 3.08Å; T33-F41 CarbonylContact C-O 3.51Å; T33-F41 WeakPolarHBondContact CA-O 3.48Å
34	I	36.5	Very low	34.1	Very low	77 Å²	77	95 Å²	95	40%	0.395	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.7	170.4	-59.3	179.1	0	0	0	108	V32 V36 F41 A43	V32-I34 PolarHBondContact O-N 3.36Å; I34-V36 HydrophobicContact CG2-CG2 4.29Å; I34-F41 PolarHBondContact N-O 3.45Å; I34-F41 PolarHBondContact O-N 3.43Å; I34-A43 HydrophobicContact CD1-CB 3.59Å; I34-A43 HydrophobicContact CG1-CB 3.84Å
35	V	33.8	Very low	34.4	Very low	65 Å²	65	88.9 Å²	88.9	39%	0.394	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.1	179.9	-175	0	0	0	0	110.1	R39	V35-R39 WeakPolarHBondContact CA-O 3.25Å
36	V	33	Very low	34.1	Very low	71 Å²	71	87.3 Å²	87.3	43%	0.43	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117	174.6	-174.3	0	0	0	0	108.1	I34 S38 R39 F41	I34-V36 HydrophobicContact CG2-CG2 4.29Å; V36-S38 PolarHBondContact O-N 3.45Å; V36-S38 VanDerWaalsContact O-N 3.09Å; V36-R39 PolarHBondContact N-O 3.29Å; V36-R39 PolarHBondContact O-N 2.84Å; V36-R39 VanDerWaalsContact O-N 3.14Å; V36-F41 HydrophobicContact CB-CE2 4.23Å; V36-F41 HydrophobicContact CG2-CD2 4.47Å; V36-F41 HydrophobicContact CG2-CE2 4.47Å
37	G	41.8	Very low	34.6	Very low	78 Å²	78	88.3 Å²	88.3	80%	0.804	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	-111.3	-171.6	0	0	0	0	0	111.8
38	S	30.3	Very low	35.2	Very low	118 Å²	118	82.3 Å²	82.3	83%	0.825	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	2.8	-179.9	56.4	0	0	0	0	114.5	V36	V36-S38 PolarHBondContact O-N 3.45Å; V36-S38 VanDerWaalsContact O-N 3.09Å
39	R	29.2	Very low	35.5	Very low	142 Å²	142	81 Å²	81	54%	0.536	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.4	-177.4	-66.1	-173	175.1	-156.3	-3.9	112.1	V35 V36 F41 E104	V35-R39 WeakPolarHBondContact CA-O 3.25Å; V36-R39 PolarHBondContact N-O 3.29Å; V36-R39 PolarHBondContact O-N 2.84Å; V36-R39 VanDerWaalsContact O-N 3.14Å; R39-F41 HydrophobicContact CB-CE2 4.09Å; R39-F41 HydrophobicContact CB-CZ 4.25Å; R39-E104 IonicContact NH1-OE1 3.59Å
40	S	34.5	Very low	36	Very low	76 Å²	76	76.9 Å²	76.9	53%	0.531	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.1	-175.5	55.5	0	0	0	0	111.9
41	F	35.1	Very low	36.4	Very low	53 Å²	53	74.8 Å²	74.8	23%	0.232	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.4	-177.3	-57.2	-91.6	0	0	0	109.9	T33 I34 V36 R39 V101	T33-F41 CarbonylContact C-O 3.51Å; T33-F41 WeakPolarHBondContact CA-O 3.48Å; I34-F41 PolarHBondContact N-O 3.45Å; I34-F41 PolarHBondContact O-N 3.43Å; V36-F41 HydrophobicContact CB-CE2 4.23Å; V36-F41 HydrophobicContact CG2-CD2 4.47Å; V36-F41 HydrophobicContact CG2-CE2 4.47Å; R39-F41 HydrophobicContact CB-CE2 4.09Å; R39-F41 HydrophobicContact CB-CZ 4.25Å; F41-V101 HydrophobicContact CD1-CG1 4.05Å; F41-V101 HydrophobicContact CE1-CG1 4.01Å
42	P	35.9	Very low	36.8	Very low	104 Å²	104	71.6 Å²	71.6	68%	0.675	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	134	180	28.9	-34	0	0	0	111.5
43	A	42.1	Very low	36.8	Very low	19 Å²	19	71.7 Å²	71.7	16%	0.157	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.8	174.5	0	0	0	0	0	111	V32 I34 V47	V32-A43 WeakPolarHBondContact CB-O 3.35Å; V32-A43 WeakPolarHBondContact O-CB 3.48Å; V32-A43 PolarHBondContact O-N 2.83Å; I34-A43 HydrophobicContact CD1-CB 3.59Å; I34-A43 HydrophobicContact CG1-CB 3.84Å; A43-V47 HydrophobicContact CB-CG2 4.43Å
44	H	38.1	Very low	37.2	Very low	120 Å²	120	72.7 Å²	72.7	56%	0.556	45%	0.445	S	S	*	.			trans	-97.3	161.3	-170.1	-154	-113.8	0	0	0	112.9	A46 V47	H44-A46 PolarHBondContact O-N 2.93Å; H44-V47 PolarHBondContact O-N 2.85Å
45	K	36.6	Very low	37.5	Very low	98 Å²	98	71.3 Å²	71.3	43%	0.426	44%	0.436	S	S	.	.	H	α-helix	trans	-45	-32.3	-177.1	-85	175.3	165.6	171.9	0	114.8	L25 S26 V47 A49	L25-K45 VanDerWaalsContact CB-CE 3.49Å; L25-K45 PolarHBondContact O-NZ 3.05Å; S26-K45 PolarHBondContact O-NZ 3.46Å; K45-V47 PolarHBondContact O-N 3.3Å; K45-A49 PolarHBondContact O-N 2.86Å
46	A	33.1	Very low	37.8	Very low	43 Å²	43	73.3 Å²	73.3	36%	0.355	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-34.3	178.6	0	0	0	0	0	114.3	H44 L48 A49 C50	H44-A46 PolarHBondContact O-N 2.93Å; A46-L48 PolarHBondContact O-N 3.36Å; A46-A49 PolarHBondContact O-N 2.84Å; A46-C50 PolarHBondContact O-N 3.36Å; A46-C50 PolarHBondContact O-SG 3.42Å
47	V	40.5	Very low	38.2	Very low	74 Å²	74	74.6 Å²	74.6	45%	0.448	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-40.9	-177.5	-177.4	0	0	0	0	110.8	A43 H44 K45 C50 A51	A43-V47 HydrophobicContact CB-CG2 4.43Å; H44-V47 PolarHBondContact O-N 2.85Å; K45-V47 PolarHBondContact O-N 3.3Å; V47-C50 PolarHBondContact O-N 3.19Å; V47-A51 PolarHBondContact O-N 3.23Å
48	L	42.7	Very low	38.2	Very low	76 Å²	76	73.6 Å²	73.6	40%	0.398	42%	0.421	S	S	.	.	H	α-helix	trans	-69.3	-34.3	175.5	-66.4	177.2	0	0	0	112.4	V32 A46 A51 A52	V32-L48 HydrophobicContact CG1-CD1 4.45Å; V32-L48 HydrophobicContact CG2-CD1 4.05Å; A46-L48 PolarHBondContact O-N 3.36Å; L48-A51 PolarHBondContact O-N 3.16Å; L48-A52 PolarHBondContact O-N 3.45Å
49	A	37	Very low	38.8	Very low	69 Å²	69	70.8 Å²	70.8	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-65.1	-40.1	173.7	0	0	0	0	0	112	K45 A46 A51 A52	K45-A49 PolarHBondContact O-N 2.86Å; A46-A49 PolarHBondContact O-N 2.84Å; A49-A51 VanDerWaalsContact C-N 3.33Å; A49-A51 PolarHBondContact O-N 3Å; A49-A52 VanDerWaalsContact O-CB 3.24Å; A49-A52 WeakPolarHBondContact O-CB 3.39Å; A49-A52 PolarHBondContact O-N 3.29Å
50	C	37.7	Very low	39.4	Very low	64 Å²	64	70.3 Å²	70.3	43%	0.432	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-35.7	175.9	-63.6	0	0	0	0	112.3	A46 V47 A52	A46-C50 PolarHBondContact O-N 3.36Å; A46-C50 PolarHBondContact O-SG 3.42Å; V47-C50 PolarHBondContact O-N 3.19Å; C50-A52 PolarHBondContact O-N 3.46Å
51	A	40.9	Very low	39.7	Very low	20 Å²	20	73.3 Å²	73.3	17%	0.165	41%	0.412	C	S	.	.	H	α-helix	trans	-63.5	-24.1	176.1	0	0	0	0	0	113.5	V47 L48 A49 G53 Y54 F55	V47-A51 PolarHBondContact O-N 3.23Å; L48-A51 PolarHBondContact O-N 3.16Å; A49-A51 VanDerWaalsContact C-N 3.33Å; A49-A51 PolarHBondContact O-N 3Å; A51-G53 VanDerWaalsContact C-N 3.3Å; A51-G53 PolarHBondContact O-N 3.08Å; A51-Y54 WeakPolarHBondContact O-CB 3.47Å; A51-Y54 PolarHBondContact O-N 3.08Å; A51-F55 HydrophobicContact CB-CD2 4.2Å; A51-F55 HydrophobicContact CB-CE2 3.74Å; A51-F55 WeakPolarHBondContact O-CD2 3.38Å; A51-F55 PolarHBondContact O-N 2.92Å
52	A	40.3	Very low	40	Very low	38 Å²	38	74.6 Å²	74.6	31%	0.314	42%	0.424	S	S	.	.	H	α-helix	trans	-56.3	-40.5	-179.8	0	0	0	0	0	113.1	L48 A49 C50 F55 Q56	L48-A52 PolarHBondContact O-N 3.45Å; A49-A52 VanDerWaalsContact O-CB 3.24Å; A49-A52 WeakPolarHBondContact O-CB 3.39Å; A49-A52 PolarHBondContact O-N 3.29Å; C50-A52 PolarHBondContact O-N 3.46Å; A52-F55 PolarHBondContact O-N 3.03Å; A52-Q56 WeakPolarHBondContact O-CB 3.21Å; A52-Q56 PolarHBondContact O-N 3.44Å
53	G	39.3	Very low	40.1	Very low	33 Å²	33	73.1 Å²	73.1	34%	0.34	43%	0.428	S	S	.	.	H	α-helix	trans	-68	-32.9	177	0	0	0	0	0	113.5	A51 N57	A51-G53 VanDerWaalsContact C-N 3.3Å; A51-G53 PolarHBondContact O-N 3.08Å; G53-N57 PolarHBondContact O-N 3.24Å; G53-N57 VanDerWaalsContact O-N 3.16Å; G53-N57 PolarHBondContact O-ND2 2.97Å
54	Y	42.8	Very low	40.1	Very low	89 Å²	89	80.5 Å²	80.5	35%	0.349	46%	0.464	S	S	.	.	H	α-helix	trans	-68	-47.5	173.7	179	-90.2	0	0	0	110.9	A51 Q56 N57 L58 N79	A51-Y54 WeakPolarHBondContact O-CB 3.47Å; A51-Y54 PolarHBondContact O-N 3.08Å; Y54-Q56 VanDerWaalsContact C-N 3.32Å; Y54-Q56 PolarHBondContact O-N 2.85Å; Y54-N57 PolarHBondContact O-N 3.41Å; Y54-L58 HydrophobicContact CE1-CD1 4.14Å; Y54-L58 PolarHBondContact O-N 3.49Å; Y54-N79 PolarHBondContact OH-OD1 3.32Å
55	F	42.8	Very low	40	Very low	47 Å²	47	82.6 Å²	82.6	21%	0.206	48%	0.479	C	S	.	.	H	α-helix	trans	-56.7	-45.8	173.8	-67.5	-62.8	0	0	0	111.5	A51 A52 N57 L58 F59 V72	A51-F55 HydrophobicContact CB-CD2 4.2Å; A51-F55 HydrophobicContact CB-CE2 3.74Å; A51-F55 WeakPolarHBondContact O-CD2 3.38Å; A51-F55 PolarHBondContact O-N 2.92Å; A52-F55 PolarHBondContact O-N 3.03Å; F55-N57 VanDerWaalsContact C-N 3.33Å; F55-N57 PolarHBondContact O-N 2.76Å; F55-L58 VanDerWaalsContact O-CB 3.3Å; F55-L58 WeakPolarHBondContact O-CB 3.46Å; F55-L58 PolarHBondContact O-N 2.78Å; F55-F59 HydrophobicContact CB-CE2 4.23Å; F55-F59 WeakPolarHBondContact O-CD2 3.43Å; F55-F59 PolarHBondContact O-N 3.02Å; F55-F59 VanDerWaalsContact O-N 3.13Å; F55-V72 HydrophobicContact CE1-CB 4.5Å; F55-V72 HydrophobicContact CE1-CG2 3.96Å
56	Q	41.1	Very low	39.8	Very low	107 Å²	107	80.6 Å²	80.6	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-61.3	-38.6	-178.9	-163.8	169.8	21.4	0	0	112.8	A52 Y54 F59 L60	A52-Q56 WeakPolarHBondContact O-CB 3.21Å; A52-Q56 PolarHBondContact O-N 3.44Å; Y54-Q56 VanDerWaalsContact C-N 3.32Å; Y54-Q56 PolarHBondContact O-N 2.85Å; Q56-F59 PolarHBondContact O-N 3.31Å; Q56-L60 WeakPolarHBondContact O-CG 3.48Å; Q56-L60 PolarHBondContact O-N 3.28Å
57	N	39.9	Very low	39.9	Very low	98 Å²	98	82.8 Å²	82.8	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-71.8	-28.7	173.6	-79.7	-79.4	0	0	0	113.4	G53 Y54 F55 N61	G53-N57 PolarHBondContact O-N 3.24Å; G53-N57 VanDerWaalsContact O-N 3.16Å; G53-N57 PolarHBondContact O-ND2 2.97Å; Y54-N57 PolarHBondContact O-N 3.41Å; F55-N57 VanDerWaalsContact C-N 3.33Å; F55-N57 PolarHBondContact O-N 2.76Å; N57-N61 PolarHBondContact O-ND2 2.87Å
58	L	42.3	Very low	39.7	Very low	58 Å²	58	88 Å²	88	30%	0.304	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-41.1	173.9	-142.1	83.2	0	0	0	111.3	Y54 F55 T62 Y70	Y54-L58 HydrophobicContact CE1-CD1 4.14Å; Y54-L58 PolarHBondContact O-N 3.49Å; F55-L58 VanDerWaalsContact O-CB 3.3Å; F55-L58 WeakPolarHBondContact O-CB 3.46Å; F55-L58 PolarHBondContact O-N 2.78Å; L58-T62 PolarHBondContact O-OG1 2.98Å; L58-Y70 HydrophobicContact CD2-CD1 4.11Å; L58-Y70 HydrophobicContact CD2-CE1 4.46Å
59	F	42.1	Very low	39.1	Very low	58 Å²	58	87.6 Å²	87.6	25%	0.254	51%	0.512	S	S	.	.	H	α-helix	trans	-75.5	-29.6	179	-66.6	-62.9	0	0	0	113.9	L16 F55 Q56 N61 Y70	L16-F59 HydrophobicContact CD2-CD2 4.46Å; L16-F59 HydrophobicContact CD2-CE2 3.4Å; L16-F59 HydrophobicContact CD2-CZ 3.59Å; F55-F59 HydrophobicContact CB-CE2 4.23Å; F55-F59 WeakPolarHBondContact O-CD2 3.43Å; F55-F59 PolarHBondContact O-N 3.02Å; F55-F59 VanDerWaalsContact O-N 3.13Å; Q56-F59 PolarHBondContact O-N 3.31Å; F59-N61 VanDerWaalsContact C-N 3.28Å; F59-N61 PolarHBondContact O-N 3.04Å; F59-Y70 HydrophobicContact CD1-CE2 4.48Å; F59-Y70 HydrophobicContact CE1-CD2 4Å; F59-Y70 HydrophobicContact CE1-CE1 4.43Å; F59-Y70 AromaticContact CE1-CE2 3.61Å; F59-Y70 HydrophobicContact CE1-CE2 3.61Å; F59-Y70 AromaticContact CE1-CZ 3.85Å; F59-Y70 HydrophobicContact CZ-CD2 4.37Å; F59-Y70 HydrophobicContact CZ-CE2 4.42Å
60	L	42.2	Very low	39	Very low	132 Å²	132	88.1 Å²	88.1	69%	0.691	50%	0.499	S	S	*	.	H	α-helix	trans	-70	-22.4	178.4	-77	167.1	0	0	0	113.7	Q56	Q56-L60 WeakPolarHBondContact O-CG 3.48Å; Q56-L60 PolarHBondContact O-N 3.28Å
61	N	40.8	Very low	38.8	Very low	139 Å²	139	88.1 Å²	88.1	74%	0.743	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	8	-177.3	-72.9	-51.9	0	0	0	114.3	N57 F59	N57-N61 PolarHBondContact O-ND2 2.87Å; F59-N61 VanDerWaalsContact C-N 3.28Å; F59-N61 PolarHBondContact O-N 3.04Å
62	T	42.7	Very low	38.6	Very low	80 Å²	80	89.2 Å²	89.2	49%	0.491	50%	0.502	S	S	.	.	S	Bend	trans	-128.4	139.2	-178.6	45.4	0	0	0	0	112.5	L58	L58-T62 PolarHBondContact O-OG1 2.98Å
63	G	38.2	Very low	38.3	Very low	74 Å²	74	91 Å²	91	76%	0.763	51%	0.506	S	S	*	.			trans	-67.7	155.8	-172.7	0	0	0	0	0	114.3	D65	G63-D65 PolarHBondContact O-N 2.92Å
64	L	40.3	Very low	38.1	Very low	173 Å²	173	96.1 Å²	96.1	91%	0.906	52%	0.519	S	S	*	.	S	Bend	trans	-66.1	-18.4	-160.4	-92.9	160.8	0	0	0	117.7
65	D	36.1	Very low	37.7	Very low	164 Å²	164	98.8 Å²	98.8	88%	0.877	54%	0.538	S	S	*	.			trans	-123.8	82.1	-169.5	-92.8	-55.6	0	0	0	114.1	G63	G63-D65 PolarHBondContact O-N 2.92Å
66	A	32.3	Very low	37.5	Very low	56 Å²	56	99.8 Å²	99.8	46%	0.463	55%	0.548	S	S	.	.			trans	-166.8	118.6	149.9	0	0	0	0	0	111.4	R68	A66-R68 HydrophobicContact CB-CG 4.1Å; A66-R68 PolarHBondContact O-N 3.36Å
67	A	35.7	Very low	37.3	Very low	89 Å²	89	98.6 Å²	98.6	74%	0.736	55%	0.549	S	S	*	.			trans	-68.2	104.5	169.3	0	0	0	0	0	110.2
68	R	35.7	Very low	37.2	Very low	183 Å²	183	96.3 Å²	96.3	69%	0.691	54%	0.544	S	S	*	.			trans	-122.6	137.1	179.4	-67.2	-177.2	176.8	-175.2	-0.3	110.8	A66 Y70	A66-R68 HydrophobicContact CB-CG 4.1Å; A66-R68 PolarHBondContact O-N 3.36Å; R68-Y70 HydrophobicContact CB-CE2 4.46Å; R68-Y70 VanDerWaalsContact O-CD2 3.26Å; R68-Y70 WeakPolarHBondContact O-CD2 3.35Å; R68-Y70 WeakPolarHBondContact O-CE2 3.28Å; R68-Y70 PolarHBondContact O-N 3.24Å
69	T	31.9	Very low	37	Very low	69 Å²	69	95.8 Å²	95.8	42%	0.423	54%	0.542	S	S	.	.			trans	-76.5	114.7	168.8	46.6	0	0	0	0	109.7
70	Y	34.2	Very low	37	Very low	80 Å²	80	96.6 Å²	96.6	31%	0.314	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-79.4	135.2	172.2	-63.2	-94.2	0	0	0	109.4	L58 F59 R68	L58-Y70 HydrophobicContact CD2-CD1 4.11Å; L58-Y70 HydrophobicContact CD2-CE1 4.46Å; F59-Y70 HydrophobicContact CD1-CE2 4.48Å; F59-Y70 HydrophobicContact CE1-CD2 4Å; F59-Y70 HydrophobicContact CE1-CE1 4.43Å; F59-Y70 AromaticContact CE1-CE2 3.61Å; F59-Y70 HydrophobicContact CE1-CE2 3.61Å; F59-Y70 AromaticContact CE1-CZ 3.85Å; F59-Y70 HydrophobicContact CZ-CD2 4.37Å; F59-Y70 HydrophobicContact CZ-CE2 4.42Å; R68-Y70 HydrophobicContact CB-CE2 4.46Å; R68-Y70 VanDerWaalsContact O-CD2 3.26Å; R68-Y70 WeakPolarHBondContact O-CD2 3.35Å; R68-Y70 WeakPolarHBondContact O-CE2 3.28Å; R68-Y70 PolarHBondContact O-N 3.24Å
71	V	34.3	Very low	36.9	Very low	64 Å²	64	95.9 Å²	95.9	39%	0.388	54%	0.539	S	S	.	.			trans	-119.1	118.6	170	177.5	0	0	0	0	106.3	R4	R4-V71 HydrophobicContact CG-CG1 4.14Å
72	V	34.8	Very low	36.9	Very low	43 Å²	43	95 Å²	95	26%	0.261	53%	0.528	S	S	.	.			trans	-111	96.3	178	177.1	0	0	0	0	107.9	F55	F55-V72 HydrophobicContact CE1-CB 4.5Å; F55-V72 HydrophobicContact CE1-CG2 3.96Å
73	D	34.3	Very low	36.9	Very low	75 Å²	75	95.4 Å²	95.4	40%	0.401	53%	0.53	S	S	.	.			trans	-88.6	111.7	175.7	-67.7	-46.8	0	0	0	109.3	I75 T76	D73-I75 PolarHBondContact O-N 3.01Å; D73-T76 PolarHBondContact O-OG1 3.49Å
74	F	36.2	Very low	36.9	Very low	140 Å²	140	93 Å²	93	61%	0.614	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	15.8	-179.7	-66.3	-90.3	0	0	0	114.7
75	I	34.6	Very low	36.9	Very low	145 Å²	145	88.4 Å²	88.4	74%	0.744	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	8.2	-166.4	-52	171.1	0	0	0	110.9	D73	D73-I75 PolarHBondContact O-N 3.01Å
76	T	38.3	Very low	36.9	Very low	68 Å²	68	86.3 Å²	86.3	42%	0.417	47%	0.465	S	S	.	.			trans	-102.9	121.8	-178.1	39.2	0	0	0	0	111.6	D73 A78 N79 F80	D73-T76 PolarHBondContact O-OG1 3.49Å; T76-A78 VanDerWaalsContact C-N 3.33Å; T76-A78 PolarHBondContact O-N 2.89Å; T76-N79 PolarHBondContact O-N 3.38Å; T76-N79 PolarHBondContact OG1-ND2 3.21Å; T76-F80 PolarHBondContact O-N 3.39Å
77	P	35.6	Very low	37.2	Very low	82 Å²	82	85 Å²	85	53%	0.532	45%	0.451	S	S	.	.	H	α-helix	trans	-52.9	-45	-174.6	-30.5	35.7	0	0	0	114.1	N79 F80 E81	P77-N79 PolarHBondContact O-N 3.15Å; P77-F80 WeakPolarHBondContact O-CA 3.35Å; P77-F80 WeakPolarHBondContact O-CB 3.48Å; P77-F80 PolarHBondContact O-N 3.05Å; P77-E81 PolarHBondContact O-N 3.16Å
78	A	38.2	Very low	37.2	Very low	51 Å²	51	87.2 Å²	87.2	42%	0.421	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-4.1	179.5	0	0	0	0	0	115.2	T76 K82	T76-A78 VanDerWaalsContact C-N 3.33Å; T76-A78 PolarHBondContact O-N 2.89Å; A78-K82 WeakPolarHBondContact O-CD 3.45Å; A78-K82 VanDerWaalsContact O-CE 3.26Å; A78-K82 WeakPolarHBondContact O-CE 3.49Å; A78-K82 PolarHBondContact O-NZ 2.81Å
79	N	38.3	Very low	37.1	Very low	47 Å²	47	83.5 Å²	83.5	25%	0.251	44%	0.439	S	S	.	.	H	α-helix	trans	-103.1	-31.1	167	-73.2	-42.3	0	0	0	111.8	Y54 T76 P77 K82 V83	Y54-N79 PolarHBondContact OH-OD1 3.32Å; T76-N79 PolarHBondContact O-N 3.38Å; T76-N79 PolarHBondContact OG1-ND2 3.21Å; P77-N79 PolarHBondContact O-N 3.15Å; N79-K82 PolarHBondContact O-N 3.25Å; N79-V83 PolarHBondContact O-N 2.95Å
80	F	43.5	Very low	37.3	Very low	74 Å²	74	81.2 Å²	81.2	33%	0.325	43%	0.427	S	S	.	.	H	α-helix	trans	-67.6	-42.9	173.1	-168.5	-115.2	0	0	0	111.9	T76 P77 K82 V83 L84 V105 L114	T76-F80 PolarHBondContact O-N 3.39Å; P77-F80 WeakPolarHBondContact O-CA 3.35Å; P77-F80 WeakPolarHBondContact O-CB 3.48Å; P77-F80 PolarHBondContact O-N 3.05Å; F80-K82 PolarHBondContact O-N 3.14Å; F80-V83 PolarHBondContact O-N 3.46Å; F80-V83 VanDerWaalsContact O-N 3.09Å; F80-L84 HydrophobicContact CD1-CD1 3.74Å; F80-L84 HydrophobicContact CE1-CD1 3.54Å; F80-L84 HydrophobicContact CE1-CG 4.33Å; F80-L84 HydrophobicContact CZ-CD1 4.28Å; F80-L84 PolarHBondContact O-N 2.65Å; F80-V105 HydrophobicContact CZ-CG1 4.45Å; F80-L114 HydrophobicContact CE1-CD2 4.38Å
81	E	39.9	Very low	37.5	Very low	118 Å²	118	86.8 Å²	86.8	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-55.1	-36.8	172.9	-72.6	-176.7	117.3	0	0	113	P77 L84 S85	P77-E81 PolarHBondContact O-N 3.16Å; E81-L84 PolarHBondContact O-N 3.25Å; E81-S85 VanDerWaalsContact O-CB 3.24Å; E81-S85 WeakPolarHBondContact O-CB 3.37Å; E81-S85 PolarHBondContact O-N 2.75Å
82	K	41.1	Very low	37.5	Very low	121 Å²	121	90.3 Å²	90.3	53%	0.526	47%	0.471	S	S	.	.	H	α-helix	trans	-72.2	-32.7	179.9	-67.1	175.2	-176.5	126.2	0	112	A78 N79 F80 F86	A78-K82 WeakPolarHBondContact O-CD 3.45Å; A78-K82 VanDerWaalsContact O-CE 3.26Å; A78-K82 WeakPolarHBondContact O-CE 3.49Å; A78-K82 PolarHBondContact O-NZ 2.81Å; N79-K82 PolarHBondContact O-N 3.25Å; F80-K82 PolarHBondContact O-N 3.14Å; K82-F86 WeakPolarHBondContact O-CB 3.32Å; K82-F86 PolarHBondContact O-N 2.98Å; K82-F86 VanDerWaalsContact O-N 3.17Å
83	V	42.1	Very low	37.4	Very low	88 Å²	88	90.7 Å²	90.7	53%	0.533	47%	0.47	S	S	.	.	H	α-helix	trans	-70.9	-45.6	171.6	176.7	0	0	0	0	110.2	N79 F80 F86 V87	N79-V83 PolarHBondContact O-N 2.95Å; F80-V83 PolarHBondContact O-N 3.46Å; F80-V83 VanDerWaalsContact O-N 3.09Å; V83-F86 PolarHBondContact O-N 3.17Å; V83-V87 WeakPolarHBondContact O-CG2 3.32Å; V83-V87 PolarHBondContact O-N 3.29Å
84	L	38.4	Very low	37.8	Very low	24 Å²	24	91.8 Å²	91.8	13%	0.126	48%	0.479	C	S	.	.	H	α-helix	trans	-58.5	-48.3	174.7	-91.6	165.4	0	0	0	112	F80 E81 F86 V87 Y88 L114	F80-L84 HydrophobicContact CD1-CD1 3.74Å; F80-L84 HydrophobicContact CE1-CD1 3.54Å; F80-L84 HydrophobicContact CE1-CG 4.33Å; F80-L84 HydrophobicContact CZ-CD1 4.28Å; F80-L84 PolarHBondContact O-N 2.65Å; E81-L84 PolarHBondContact O-N 3.25Å; L84-F86 VanDerWaalsContact C-N 3.29Å; L84-F86 PolarHBondContact O-N 3.33Å; L84-V87 PolarHBondContact O-N 3.31Å; L84-V87 VanDerWaalsContact O-N 3.16Å; L84-Y88 HydrophobicContact CD2-CD2 4.45Å; L84-Y88 HydrophobicContact CD2-CE2 4.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.46Å; L84-Y88 PolarHBondContact O-N 3.46Å; L84-L114 HydrophobicContact CD1-CD1 4.11Å; L84-L114 HydrophobicContact CD1-CD2 3.95Å
85	S	39.2	Very low	37.7	Very low	76 Å²	76	90.7 Å²	90.7	53%	0.531	48%	0.48	S	S	.	.	H	α-helix	trans	-58.5	-41	177.2	179.6	0	0	0	0	111.6	E81 Y88 T89	E81-S85 VanDerWaalsContact O-CB 3.24Å; E81-S85 WeakPolarHBondContact O-CB 3.37Å; E81-S85 PolarHBondContact O-N 2.75Å; S85-Y88 PolarHBondContact O-N 2.84Å; S85-T89 WeakPolarHBondContact O-CG2 3.29Å; S85-T89 PolarHBondContact O-N 3.36Å; S85-T89 VanDerWaalsContact O-N 3.1Å; S85-T89 PolarHBondContact O-OG1 3.27Å
86	F	37.1	Very low	37.5	Very low	119 Å²	119	90.2 Å²	90.2	52%	0.522	48%	0.478	S	S	.	.	H	α-helix	trans	-66.3	-42.7	175.1	-171.2	-100.7	0	0	0	112.6	K82 V83 L84 T89 S90	K82-F86 WeakPolarHBondContact O-CB 3.32Å; K82-F86 PolarHBondContact O-N 2.98Å; K82-F86 VanDerWaalsContact O-N 3.17Å; V83-F86 PolarHBondContact O-N 3.17Å; L84-F86 VanDerWaalsContact C-N 3.29Å; L84-F86 PolarHBondContact O-N 3.33Å; F86-T89 WeakPolarHBondContact CA-OG1 3.12Å; F86-T89 CarbonylContact O-C 3.47Å; F86-T89 PolarHBondContact O-N 2.8Å; F86-T89 VanDerWaalsContact O-N 3.13Å; F86-T89 PolarHBondContact O-OG1 3.22Å; F86-S90 PolarHBondContact O-N 2.79Å; F86-S90 VanDerWaalsContact O-N 3.15Å; F86-S90 PolarHBondContact O-OG 3.38Å
87	V	37.8	Very low	37.6	Very low	28 Å²	28	90.2 Å²	90.2	17%	0.17	48%	0.475	C	S	.	.	H	α-helix	trans	-59.7	-46	174.3	166.4	0	0	0	0	111.3	V83 L84 T89 S90 F93 I97	V83-V87 WeakPolarHBondContact O-CG2 3.32Å; V83-V87 PolarHBondContact O-N 3.29Å; L84-V87 PolarHBondContact O-N 3.31Å; L84-V87 VanDerWaalsContact O-N 3.16Å; V87-T89 PolarHBondContact O-N 3.34Å; V87-S90 WeakPolarHBondContact CA-OG 3.17Å; V87-S90 PolarHBondContact O-N 2.81Å; V87-S90 PolarHBondContact O-OG 2.93Å; V87-F93 HydrophobicContact CG1-CB 4.02Å; V87-F93 HydrophobicContact CG2-CB 4.49Å; V87-I97 HydrophobicContact CG1-CD1 4.25Å; V87-I97 HydrophobicContact CG2-CD1 4.32Å
88	Y	36.3	Very low	37.8	Very low	136 Å²	136	92.3 Å²	92.3	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-62.6	-26.3	174.9	-92.8	-81.9	0	0	0	113.4	L84 S85	L84-Y88 HydrophobicContact CD2-CD2 4.45Å; L84-Y88 HydrophobicContact CD2-CE2 4.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.46Å; L84-Y88 PolarHBondContact O-N 3.46Å; S85-Y88 PolarHBondContact O-N 2.84Å
89	T	33.7	Very low	38	Very low	105 Å²	105	91.7 Å²	91.7	64%	0.644	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.8	173.4	58.6	0	0	0	0	114.8	S85 F86 V87	S85-T89 WeakPolarHBondContact O-CG2 3.29Å; S85-T89 PolarHBondContact O-N 3.36Å; S85-T89 VanDerWaalsContact O-N 3.1Å; S85-T89 PolarHBondContact O-OG1 3.27Å; F86-T89 WeakPolarHBondContact CA-OG1 3.12Å; F86-T89 CarbonylContact O-C 3.47Å; F86-T89 PolarHBondContact O-N 2.8Å; F86-T89 VanDerWaalsContact O-N 3.13Å; F86-T89 PolarHBondContact O-OG1 3.22Å; V87-T89 PolarHBondContact O-N 3.34Å
90	S	34.7	Very low	38	Very low	22 Å²	22	91.1 Å²	91.1	15%	0.154	48%	0.478	C	S	.	.			trans	-124.6	101	-176.8	47.9	0	0	0	0	112.3	F86 V87 L92 F93	F86-S90 PolarHBondContact O-N 2.79Å; F86-S90 VanDerWaalsContact O-N 3.15Å; F86-S90 PolarHBondContact O-OG 3.38Å; V87-S90 WeakPolarHBondContact CA-OG 3.17Å; V87-S90 PolarHBondContact O-N 2.81Å; V87-S90 PolarHBondContact O-OG 2.93Å; S90-L92 PolarHBondContact O-N 2.78Å; S90-F93 PolarHBondContact O-N 2.88Å; S90-F93 WeakPolarHBondContact OG-CD2 3.24Å
91	E	38.9	Very low	37.9	Very low	196 Å²	196	89.9 Å²	89.9	92%	0.916	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	12	-175.1	-55.1	177.5	142.8	0	0	115.8
92	L	34.3	Very low	38.2	Very low	139 Å²	139	86 Å²	86	73%	0.728	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-9.2	-177.6	-75.9	163.8	0	0	0	113.9	S90	S90-L92 PolarHBondContact O-N 2.78Å
93	F	33.8	Very low	38.3	Very low	51 Å²	51	81.8 Å²	81.8	22%	0.224	44%	0.439	C	S	.	.	S	Bend	trans	-106.1	-15.9	-168.6	-79	-83.3	0	0	0	116.1	V87 S90 D95 L96 I97	V87-F93 HydrophobicContact CG1-CB 4.02Å; V87-F93 HydrophobicContact CG2-CB 4.49Å; S90-F93 PolarHBondContact O-N 2.88Å; S90-F93 WeakPolarHBondContact OG-CD2 3.24Å; F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 3.19Å; F93-L96 PolarHBondContact O-N 3.1Å; F93-L96 VanDerWaalsContact O-N 3.16Å; F93-I97 PolarHBondContact O-N 2.95Å
94	T	41.3	Very low	38.3	Very low	98 Å²	98	80.1 Å²	80.1	60%	0.601	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.3	179.4	47.4	0	0	0	0	113.3	L96	T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.29Å
95	D	34.8	Very low	38.5	Very low	117 Å²	117	80.3 Å²	80.3	63%	0.626	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.7	-179.4	-82.7	42.2	0	0	0	113.7	F93 R360	F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 3.19Å; D95-R360 IonicContact OD2-NH1 2.69Å; D95-R360 IonicContact OD2-NH2 3.65Å
96	L	30.7	Very low	38.9	Very low	134 Å²	134	76.7 Å²	76.7	70%	0.702	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-22	-173	-106.3	74.4	0	0	0	115	F93 T94	F93-L96 PolarHBondContact O-N 3.1Å; F93-L96 VanDerWaalsContact O-N 3.16Å; T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.29Å
97	I	39.5	Very low	39.3	Very low	68 Å²	68	77.7 Å²	77.7	35%	0.349	41%	0.409	S	S	.	.	S	Bend	trans	-99.5	110.2	176.4	-53.2	179.7	0	0	0	108.1	V87 F93 V99 I102	V87-I97 HydrophobicContact CG1-CD1 4.25Å; V87-I97 HydrophobicContact CG2-CD1 4.32Å; F93-I97 PolarHBondContact O-N 2.95Å; I97-V99 PolarHBondContact O-N 3.49Å; I97-V99 VanDerWaalsContact O-N 3.07Å; I97-I102 HydrophobicContact CG2-CD1 3.81Å; I97-I102 HydrophobicContact CG2-CG1 3.8Å
98	N	41	Very low	39.5	Very low	127 Å²	127	83.1 Å²	83.1	68%	0.679	43%	0.427	S	S	*	.			trans	-63.4	111.6	179.4	-168.5	-2.4	0	0	0	109.7	G100 V101	N98-G100 PolarHBondContact O-N 2.78Å; N98-G100 VanDerWaalsContact O-N 3.08Å; N98-V101 HydrophobicContact CB-CG2 4.26Å; N98-V101 WeakPolarHBondContact O-CB 3.4Å; N98-V101 PolarHBondContact O-N 3.17Å
99	V	40.8	Very low	39.7	Very low	38 Å²	38	81.4 Å²	81.4	23%	0.23	43%	0.426	C	S	.	.	H	α-helix	trans	-56.8	-33.3	-164.5	176.7	0	0	0	0	113	I97 V101 I102 Y103 F122	I97-V99 PolarHBondContact O-N 3.49Å; I97-V99 VanDerWaalsContact O-N 3.07Å; V99-V101 PolarHBondContact O-N 3.29Å; V99-I102 WeakPolarHBondContact O-CB 3.05Å; V99-I102 PolarHBondContact O-N 3.2Å; V99-Y103 HydrophobicContact CG1-CD2 4.02Å; V99-Y103 HydrophobicContact CG1-CE2 3.95Å; V99-Y103 PolarHBondContact O-N 2.9Å; V99-F122 HydrophobicContact CG1-CD2 4.27Å; V99-F122 HydrophobicContact CG1-CE2 4.4Å
100	G	38.3	Very low	40	Very low	35 Å²	35	78.4 Å²	78.4	36%	0.361	42%	0.416	S	S	.	.	H	α-helix	trans	-59	-28.1	174.7	0	0	0	0	0	114.3	N98 Y103 E104	N98-G100 PolarHBondContact O-N 2.78Å; N98-G100 VanDerWaalsContact O-N 3.08Å; G100-Y103 PolarHBondContact O-N 3.33Å; G100-E104 WeakPolarHBondContact O-CB 3.23Å; G100-E104 PolarHBondContact O-N 3.31Å
101	V	42.5	Very low	40.4	Very low	47 Å²	47	79.2 Å²	79.2	29%	0.285	42%	0.418	S	S	.	.	H	α-helix	trans	-71.8	-30.9	175.6	-177.9	0	0	0	0	111.3	F41 N98 V99 V105	F41-V101 HydrophobicContact CD1-CG1 4.05Å; F41-V101 HydrophobicContact CE1-CG1 4.01Å; N98-V101 HydrophobicContact CB-CG2 4.26Å; N98-V101 WeakPolarHBondContact O-CB 3.4Å; N98-V101 PolarHBondContact O-N 3.17Å; V99-V101 PolarHBondContact O-N 3.29Å; V101-V105 HydrophobicContact CG1-CG2 4.43Å; V101-V105 WeakPolarHBondContact O-CB 3.25Å; V101-V105 WeakPolarHBondContact O-CG2 3.08Å; V101-V105 PolarHBondContact O-N 3.46Å; V101-V105 VanDerWaalsContact O-N 3.1Å
102	I	45.2	Very low	40.7	Very low	37 Å²	37	76.3 Å²	76.3	19%	0.19	40%	0.404	C	S	.	.	H	α-helix	trans	-68.8	-45.4	174.7	-55.1	179.1	0	0	0	109.5	I97 V99 V105 A106	I97-I102 HydrophobicContact CG2-CD1 3.81Å; I97-I102 HydrophobicContact CG2-CG1 3.8Å; V99-I102 WeakPolarHBondContact O-CB 3.05Å; V99-I102 PolarHBondContact O-N 3.2Å; I102-V105 PolarHBondContact O-N 2.93Å; I102-A106 WeakPolarHBondContact O-CB 3.38Å; I102-A106 PolarHBondContact O-N 3.09Å
103	Y	43.5	Very low	41	Very low	32 Å²	32	76.8 Å²	76.8	13%	0.125	41%	0.408	C	S	.	.	H	α-helix	trans	-59.2	-52.6	173.3	-83.8	-80.5	0	0	0	112.3	V99 G100 V105 A106 E107 C118 H119	V99-Y103 HydrophobicContact CG1-CD2 4.02Å; V99-Y103 HydrophobicContact CG1-CE2 3.95Å; V99-Y103 PolarHBondContact O-N 2.9Å; G100-Y103 PolarHBondContact O-N 3.33Å; Y103-V105 PolarHBondContact O-N 3.38Å; Y103-A106 PolarHBondContact O-N 2.97Å; Y103-A106 VanDerWaalsContact O-N 3.13Å; Y103-E107 WeakPolarHBondContact O-CB 3.41Å; Y103-E107 PolarHBondContact O-N 3.29Å; Y103-C118 HydrophobicContact CD1-CB 4.21Å; Y103-C118 HydrophobicContact CD2-CB 4.41Å; Y103-C118 HydrophobicContact CE1-CB 3.61Å; Y103-C118 HydrophobicContact CE2-CB 3.86Å; Y103-C118 VanDerWaalsContact CZ-CB 3.45Å; Y103-C118 PolarHBondContact OH-O 3.28Å; Y103-H119 AromaticContact CE1-CE1 3.68Å; Y103-H119 AromaticContact CE1-ND1 3.81Å; Y103-H119 AromaticContact CE1-NE2 3.81Å; Y103-H119 WeakPolarHBondContact OH-CA 3.33Å; Y103-H119 PolarHBondContact OH-N 3.37Å
104	E	41.6	Very low	41.4	Very low	53 Å²	53	75.5 Å²	75.5	25%	0.248	40%	0.403	C	S	.	.	H	α-helix	trans	-62.4	-26.9	-178.1	-167.4	-171.9	178.6	0	0	112.6	R39 G100 R108	R39-E104 IonicContact NH1-OE1 3.59Å; G100-E104 WeakPolarHBondContact O-CB 3.23Å; G100-E104 PolarHBondContact O-N 3.31Å; E104-R108 VanDerWaalsContact CD-NH1 3.31Å; E104-R108 WeakPolarHBondContact O-CB 3.35Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 2.93Å; E104-R108 IonicContact OE1-CZ 3.31Å; E104-R108 IonicContact OE1-NH1 2.67Å; E104-R108 PolarHBondContact OE1-NH1 2.97Å; E104-R108 IonicContact OE1-NH2 3.1Å; E104-R108 PolarHBondContact OE1-NH2 3.36Å
105	V	43	Very low	41.7	Very low	28 Å²	28	72.5 Å²	72.5	17%	0.17	38%	0.383	C	S	.	.	H	α-helix	trans	-80.6	-43.2	173.1	168.5	0	0	0	0	111.8	F80 V101 I102 Y103 E107 R108 L109	F80-V105 HydrophobicContact CZ-CG1 4.45Å; V101-V105 HydrophobicContact CG1-CG2 4.43Å; V101-V105 WeakPolarHBondContact O-CB 3.25Å; V101-V105 WeakPolarHBondContact O-CG2 3.08Å; V101-V105 PolarHBondContact O-N 3.46Å; V101-V105 VanDerWaalsContact O-N 3.1Å; I102-V105 PolarHBondContact O-N 2.93Å; Y103-V105 PolarHBondContact O-N 3.38Å; V105-E107 PolarHBondContact O-N 2.98Å; V105-R108 PolarHBondContact O-N 3.38Å; V105-L109 HydrophobicContact CG1-CD1 3.72Å; V105-L109 HydrophobicContact CG1-CG 4.43Å; V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 2.85Å; V105-L109 VanDerWaalsContact O-N 3.12Å
106	A	48.8	Very low	42.2	Very low	1 Å²	1	73.2 Å²	73.2	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-41.2	178	0	0	0	0	0	111.8	I102 Y103 L109 G110 M111 L114 L115	I102-A106 WeakPolarHBondContact O-CB 3.38Å; I102-A106 PolarHBondContact O-N 3.09Å; Y103-A106 PolarHBondContact O-N 2.97Å; Y103-A106 VanDerWaalsContact O-N 3.13Å; A106-L109 PolarHBondContact O-N 3.38Å; A106-G110 PolarHBondContact O-N 2.98Å; A106-M111 HydrophobicContact CB-CB 4.41Å; A106-M111 PolarHBondContact O-N 3.24Å; A106-M111 VanDerWaalsContact O-N 3.12Å; A106-L114 HydrophobicContact CB-CB 4.3Å; A106-L114 HydrophobicContact CB-CD2 3.93Å; A106-L114 HydrophobicContact CB-CG 4.07Å; A106-L115 HydrophobicContact CB-CD1 3.68Å; A106-L115 HydrophobicContact CB-CG 4.21Å
107	E	44.7	Very low	42.8	Very low	139 Å²	139	68.7 Å²	68.7	65%	0.65	36%	0.364	S	S	*	.	H	α-helix	trans	-64.5	-43.9	177.7	-173	-174.5	-158.4	0	0	111.5	Y103 V105 L109	Y103-E107 WeakPolarHBondContact O-CB 3.41Å; Y103-E107 PolarHBondContact O-N 3.29Å; V105-E107 PolarHBondContact O-N 2.98Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 3.45Å
108	R	42.1	Very low	43	Very low	142 Å²	142	65.6 Å²	65.6	54%	0.536	35%	0.349	S	S	.	.	H	α-helix	trans	-75	-15	179.4	-75.3	-171.1	-176.3	127.3	16.1	115.2	E104 V105	E104-R108 VanDerWaalsContact CD-NH1 3.31Å; E104-R108 WeakPolarHBondContact O-CB 3.35Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 2.93Å; E104-R108 IonicContact OE1-CZ 3.31Å; E104-R108 IonicContact OE1-NH1 2.67Å; E104-R108 PolarHBondContact OE1-NH1 2.97Å; E104-R108 IonicContact OE1-NH2 3.1Å; E104-R108 PolarHBondContact OE1-NH2 3.36Å; V105-R108 PolarHBondContact O-N 3.38Å
109	L	41.5	Very low	43.3	Very low	101 Å²	101	62.7 Å²	62.7	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-101.4	-6.2	179	-68.5	178.8	0	0	0	113.6	V105 A106 E107 M111	V105-L109 HydrophobicContact CG1-CD1 3.72Å; V105-L109 HydrophobicContact CG1-CG 4.43Å; V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 2.85Å; V105-L109 VanDerWaalsContact O-N 3.12Å; A106-L109 PolarHBondContact O-N 3.38Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 3.45Å; L109-M111 HydrophobicContact CB-CG 3.97Å; L109-M111 HydrophobicContact CB-SD 4.17Å; L109-M111 HydrophobicContact CD1-SD 4.28Å
110	G	39	Very low	43.5	Very low	42 Å²	42	65.2 Å²	65.2	43%	0.433	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	60.7	-173.9	0	0	0	0	0	110.7	A106 E112	A106-G110 PolarHBondContact O-N 2.98Å; G110-E112 WeakPolarHBondContact CA-OE1 3.23Å
111	M	43.5	Very low	43.4	Very low	39 Å²	39	66.9 Å²	66.9	19%	0.192	35%	0.354	C	S	.	.			trans	-119.6	67.1	180	-65.8	-171.5	65.7	0	0	110	A106 L109 D113 L114 L115	A106-M111 HydrophobicContact CB-CB 4.41Å; A106-M111 PolarHBondContact O-N 3.24Å; A106-M111 VanDerWaalsContact O-N 3.12Å; L109-M111 HydrophobicContact CB-CG 3.97Å; L109-M111 HydrophobicContact CB-SD 4.17Å; L109-M111 HydrophobicContact CD1-SD 4.28Å; M111-D113 VanDerWaalsContact C-N 3.31Å; M111-D113 PolarHBondContact O-N 3.19Å; M111-L114 HydrophobicContact CB-CB 4.06Å; M111-L114 HydrophobicContact CE-CD2 4.08Å; M111-L114 WeakPolarHBondContact O-CA 3.38Å; M111-L114 WeakPolarHBondContact O-CB 3.49Å; M111-L114 PolarHBondContact O-N 3.31Å; M111-L114 HydrophobicContact SD-CD2 4.46Å; M111-L115 WeakPolarHBondContact O-CD1 3.27Å; M111-L115 PolarHBondContact O-N 3.18Å; M111-L115 VanDerWaalsContact O-N 3.11Å
112	E	44.7	Very low	43.3	Very low	134 Å²	134	68.5 Å²	68.5	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-59.2	-39.2	-170.9	-66.1	67.6	-146.2	0	0	112.4	G110 L114 L115 Q116	G110-E112 WeakPolarHBondContact CA-OE1 3.23Å; E112-L114 PolarHBondContact O-N 3.5Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-Q116 WeakPolarHBondContact O-CB 3.31Å; E112-Q116 PolarHBondContact O-N 3.2Å
113	D	41.1	Very low	43.1	Very low	149 Å²	149	70.9 Å²	70.9	80%	0.797	38%	0.375	S	S	*	.	H	α-helix	trans	-59.3	-34.6	174.5	-69.2	-42.2	0	0	0	112.5	M111 A117	M111-D113 VanDerWaalsContact C-N 3.31Å; M111-D113 PolarHBondContact O-N 3.19Å; D113-A117 WeakPolarHBondContact O-CB 3.48Å; D113-A117 PolarHBondContact O-N 2.91Å
114	L	42.9	Very low	42.9	Very low	24 Å²	24	75.8 Å²	75.8	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-77.3	-38.9	179	-176.6	59.4	0	0	0	111.4	F80 L84 A106 M111 E112 Q116 A117 C118	F80-L114 HydrophobicContact CE1-CD2 4.38Å; L84-L114 HydrophobicContact CD1-CD1 4.11Å; L84-L114 HydrophobicContact CD1-CD2 3.95Å; A106-L114 HydrophobicContact CB-CB 4.3Å; A106-L114 HydrophobicContact CB-CD2 3.93Å; A106-L114 HydrophobicContact CB-CG 4.07Å; M111-L114 HydrophobicContact CB-CB 4.06Å; M111-L114 HydrophobicContact CE-CD2 4.08Å; M111-L114 WeakPolarHBondContact O-CA 3.38Å; M111-L114 WeakPolarHBondContact O-CB 3.49Å; M111-L114 PolarHBondContact O-N 3.31Å; M111-L114 HydrophobicContact SD-CD2 4.46Å; E112-L114 PolarHBondContact O-N 3.5Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-A117 PolarHBondContact O-N 3.14Å; L114-C118 PolarHBondContact O-N 3.48Å; L114-C118 PolarHBondContact O-SG 3.38Å
115	L	46.5	Very low	43	Very low	36 Å²	36	76.6 Å²	76.6	19%	0.188	41%	0.409	C	S	.	.	H	α-helix	trans	-59.2	-47.8	168.2	-83.3	99.6	0	0	0	110.5	A106 M111 E112 A117 C118 H119	A106-L115 HydrophobicContact CB-CD1 3.68Å; A106-L115 HydrophobicContact CB-CG 4.21Å; M111-L115 WeakPolarHBondContact O-CD1 3.27Å; M111-L115 PolarHBondContact O-N 3.18Å; M111-L115 VanDerWaalsContact O-N 3.11Å; E112-L115 PolarHBondContact O-N 3.41Å; L115-A117 VanDerWaalsContact C-N 3.29Å; L115-A117 PolarHBondContact O-N 2.86Å; L115-C118 CarbonylContact O-C 3.58Å; L115-C118 PolarHBondContact O-N 2.81Å; L115-H119 PolarHBondContact O-CD2 3.25Å; L115-H119 PolarHBondContact O-N 2.87Å
116	Q	45.2	Very low	42.7	Very low	132 Å²	132	81.5 Å²	81.5	62%	0.617	43%	0.43	S	S	*	.	H	α-helix	trans	-60.8	-38.7	-178.8	-169.6	64.5	19.3	0	0	111.8	E112 L114 S120	E112-Q116 WeakPolarHBondContact O-CB 3.31Å; E112-Q116 PolarHBondContact O-N 3.2Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; Q116-S120 WeakPolarHBondContact O-CB 3.34Å; Q116-S120 PolarHBondContact O-N 3.28Å; Q116-S120 VanDerWaalsContact O-N 3.08Å; Q116-S120 PolarHBondContact O-OG 2.82Å
117	A	43.5	Very low	42	Very low	38 Å²	38	86.8 Å²	86.8	31%	0.314	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-41.8	172.3	0	0	0	0	0	112.6	D113 L114 L115 S120 T121	D113-A117 WeakPolarHBondContact O-CB 3.48Å; D113-A117 PolarHBondContact O-N 2.91Å; L114-A117 PolarHBondContact O-N 3.14Å; L115-A117 VanDerWaalsContact C-N 3.29Å; L115-A117 PolarHBondContact O-N 2.86Å; A117-S120 PolarHBondContact O-OG 2.88Å; A117-T121 WeakPolarHBondContact O-CB 3.4Å; A117-T121 PolarHBondContact O-N 3.1Å; A117-T121 PolarHBondContact O-OG1 3.21Å
118	C	44.2	Very low	41.5	Very low	3 Å²	3	85.7 Å²	85.7	2%	0.02	47%	0.47	C	S	.	.	H	α-helix	trans	-67.5	-45.9	176.4	-68.2	0	0	0	0	112.5	Y103 L114 L115 S120 T121 F122	Y103-C118 HydrophobicContact CD1-CB 4.21Å; Y103-C118 HydrophobicContact CD2-CB 4.41Å; Y103-C118 HydrophobicContact CE1-CB 3.61Å; Y103-C118 HydrophobicContact CE2-CB 3.86Å; Y103-C118 VanDerWaalsContact CZ-CB 3.45Å; Y103-C118 PolarHBondContact OH-O 3.28Å; L114-C118 PolarHBondContact O-N 3.48Å; L114-C118 PolarHBondContact O-SG 3.38Å; L115-C118 CarbonylContact O-C 3.58Å; L115-C118 PolarHBondContact O-N 2.81Å; C118-S120 PolarHBondContact O-N 3.24Å; C118-T121 PolarHBondContact O-N 2.86Å; C118-T121 VanDerWaalsContact O-N 3.12Å; C118-F122 PolarHBondContact O-N 2.97Å
119	H	46.4	Very low	41.1	Very low	67 Å²	67	82.8 Å²	82.8	31%	0.31	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40.8	178.2	-74	-67.2	0	0	0	112.2	Y103 L115 T121	Y103-H119 AromaticContact CE1-CE1 3.68Å; Y103-H119 AromaticContact CE1-ND1 3.81Å; Y103-H119 AromaticContact CE1-NE2 3.81Å; Y103-H119 WeakPolarHBondContact OH-CA 3.33Å; Y103-H119 PolarHBondContact OH-N 3.37Å; L115-H119 PolarHBondContact O-CD2 3.25Å; L115-H119 PolarHBondContact O-N 2.87Å; H119-T121 VanDerWaalsContact C-N 3.27Å; H119-T121 PolarHBondContact O-N 3.23Å
120	S	44.8	Very low	40.6	Very low	90 Å²	90	89.5 Å²	89.5	63%	0.629	49%	0.494	S	S	*	.	H	α-helix	trans	-73	-16.7	176.3	53.2	0	0	0	0	114.1	Q116 A117 C118	Q116-S120 WeakPolarHBondContact O-CB 3.34Å; Q116-S120 PolarHBondContact O-N 3.28Å; Q116-S120 VanDerWaalsContact O-N 3.08Å; Q116-S120 PolarHBondContact O-OG 2.82Å; A117-S120 PolarHBondContact O-OG 2.88Å; C118-S120 PolarHBondContact O-N 3.24Å
121	T	36.9	Very low	40	Very low	71 Å²	71	91.3 Å²	91.3	44%	0.436	51%	0.505	S	S	.	.	H	α-helix	trans	-92.7	-30.6	174.6	-52.8	0	0	0	0	112.7	A117 C118 H119	A117-T121 WeakPolarHBondContact O-CB 3.4Å; A117-T121 PolarHBondContact O-N 3.1Å; A117-T121 PolarHBondContact O-OG1 3.21Å; C118-T121 PolarHBondContact O-N 2.86Å; C118-T121 VanDerWaalsContact O-N 3.12Å; H119-T121 VanDerWaalsContact C-N 3.27Å; H119-T121 PolarHBondContact O-N 3.23Å
122	F	40.8	Very low	39.1	Very low	80 Å²	80	99 Å²	99	35%	0.351	54%	0.538	S	S	.	.			trans	-136.6	71.1	-171.7	-59.7	-72.2	0	0	0	112.8	V99 C118 D124 L125	V99-F122 HydrophobicContact CG1-CD2 4.27Å; V99-F122 HydrophobicContact CG1-CE2 4.4Å; C118-F122 PolarHBondContact O-N 2.97Å; F122-D124 PolarHBondContact O-N 3Å; F122-L125 HydrophobicContact CB-CD1 3.82Å; F122-L125 HydrophobicContact CG-CD1 4.41Å
123	P	41.3	Very low	38.2	Very low	87 Å²	87	98.2 Å²	98.2	57%	0.565	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-67.8	-31.8	-172.7	26.4	-35.2	0	0	0	114.5	L125	P123-L125 PolarHBondContact O-N 3.45Å
124	D	38.6	Very low	37.5	Very low	136 Å²	136	99.7 Å²	99.7	73%	0.727	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-71.5	-13.4	-171.3	-58.4	-53.3	0	0	0	114.6	F122 E126 S127	F122-D124 PolarHBondContact O-N 3Å; D124-E126 PolarHBondContact O-N 3Å; D124-S127 PolarHBondContact O-N 3.36Å
125	L	43.8	Very low	36.6	Very low	69 Å²	69	104.9 Å²	104.9	36%	0.361	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-74.7	-14	-172.3	-97.8	126.6	0	0	0	115.2	F122 P123 S127 T128 A129	F122-L125 HydrophobicContact CB-CD1 3.82Å; F122-L125 HydrophobicContact CG-CD1 4.41Å; P123-L125 PolarHBondContact O-N 3.45Å; L125-S127 PolarHBondContact O-N 2.94Å; L125-T128 PolarHBondContact O-N 3.24Å; L125-T128 PolarHBondContact O-OG1 3.45Å; L125-A129 PolarHBondContact O-N 3.37Å
126	E	37.2	Very low	35.6	Very low	132 Å²	132	108.6 Å²	108.6	62%	0.617	61%	0.613	S	S	*	*	H	α-helix	trans	-62.8	-30.3	172.7	-72.5	-157.4	123.2	0	0	112.5	D124 T128 A129 R130	D124-E126 PolarHBondContact O-N 3Å; E126-T128 VanDerWaalsContact C-N 3.25Å; E126-T128 PolarHBondContact O-N 3.33Å; E126-A129 PolarHBondContact O-N 2.77Å; E126-R130 PolarHBondContact O-N 3.21Å; E126-R130 VanDerWaalsContact O-N 3.11Å
127	S	33.1	Very low	34.6	Very low	112 Å²	112	108.6 Å²	108.6	78%	0.783	62%	0.622	S	S	*	*	H	α-helix	trans	-65.1	-25.9	-176.5	-59	0	0	0	0	113.6	D124 L125	D124-S127 PolarHBondContact O-N 3.36Å; L125-S127 PolarHBondContact O-N 2.94Å
128	T	34.8	Very low	33.6	Very low	116 Å²	116	114.8 Å²	114.8	71%	0.712	65%	0.65	S	S	*	*	H	α-helix	trans	-100.4	-19.2	173.3	42	0	0	0	0	113.2	L125 E126	L125-T128 PolarHBondContact O-N 3.24Å; L125-T128 PolarHBondContact O-OG1 3.45Å; E126-T128 VanDerWaalsContact C-N 3.25Å; E126-T128 PolarHBondContact O-N 3.33Å
129	A	32.5	Very low	32.8	Very low	81 Å²	81	123.4 Å²	123.4	67%	0.669	69%	0.69	S	S	*	*	H	α-helix	trans	-74.8	-34.2	176.4	0	0	0	0	0	113.2	L125 E126 A131	L125-A129 PolarHBondContact O-N 3.37Å; E126-A129 PolarHBondContact O-N 2.77Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.4Å
130	R	31.4	Very low	31.7	Very low	241 Å²	241	125 Å²	125	91%	0.909	71%	0.709	S	S	*	*			trans	-84.2	48.5	-169.6	-151.5	177.3	-174	-159.6	0.9	115.3	E126	E126-R130 PolarHBondContact O-N 3.21Å; E126-R130 VanDerWaalsContact O-N 3.11Å
131	A	26.7	Very low	31	Very low	80 Å²	80	129 Å²	129	66%	0.661	72%	0.717	S	S	*	*	S	Bend	trans	-110.7	97.6	175.8	0	0	0	0	0	112.6	A129	A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.4Å
132	K	24.3	Very low	30.4	Very low	201 Å²	201	131.5 Å²	131.5	87%	0.874	74%	0.738	S	S	*	*			trans	70.3	118.7	175.6	-60.4	179.8	178	176.7	0	117
133	P	27.4	Very low	29.6	Very low	118 Å²	118	131.2 Å²	131.2	77%	0.766	76%	0.758	S	S	*	*			trans	-68.5	153.9	161.2	-13.4	28.9	0	0	0	111.8
134	L	25.1	Very low	28.8	Very low	179 Å²	179	133.1 Å²	133.1	94%	0.937	77%	0.768	S	S	*	*			trans	-81.3	115.3	160.7	-118.3	74.9	0	0	0	109.2
135	T	24.9	Very low	28.2	Very low	133 Å²	133	134 Å²	134	82%	0.816	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-97.1	128.7	162.8	39.8	0	0	0	0	109.9
136	S	25.4	Very low	27.2	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.3	149.9	173.5	51.2	0	0	0	0	111.6
137	T	23	Very low	26.5	Very low	133 Å²	133	135.6 Å²	135.6	82%	0.816	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-55.6	135.6	173.7	47.8	0	0	0	0	113.2
138	N	23.4	Very low	26.3	Very low	167 Å²	167	135.7 Å²	135.7	89%	0.893	80%	0.799	S	S	*	*			trans	-152.3	152.7	143.3	-110.5	-9.2	0	0	0	109
139	E	26.8	Very low	25.8	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.864	81%	0.806	S	S	*	*			trans	-94.2	172.2	-167.6	-61.5	-174.4	97.6	0	0	114.3
140	S	24.5	Very low	25.4	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	82%	0.816	S	S	*	*			trans	99.6	119.5	146.7	80.5	0	0	0	0	120.6
141	H	28.4	Very low	25	Very low	172 Å²	172	134.4 Å²	134.4	80%	0.796	81%	0.814	S	S	*	*			trans	64.9	101.4	148.5	-52.8	-46.3	0	0	0	123
142	S	24.4	Very low	25.7	Very low	125 Å²	125	135.6 Å²	135.6	87%	0.874	82%	0.815	S	S	*	*				42.9	120.5	121	-49.1	0	0	0	0	121.8
143	G	25.3	Very low	25.6	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	81%	0.813	S	S	*	*			trans	175.8	62.8	166.9	0	0	0	0	0	121.1
144	T	24.4	Very low	25.4	Very low	127 Å²	127	134.2 Å²	134.2	78%	0.779	82%	0.818	S	S	*	*			trans	36.9	113.1	135.6	-48.5	0	0	0	0	122.9
145	L	25.5	Very low	26	Very low	153 Å²	153	131 Å²	131	80%	0.801	81%	0.808	S	S	*	*			trans	65	118.7	143.3	-64.4	171.3	0	0	0	124
146	S	23.4	Very low	26	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	81%	0.813	S	S	*	*				74.4	128.7	123.3	-59.8	0	0	0	0	123.9
147	C	22.3	Very low	25.9	Very low	132 Å²	132	131.3 Å²	131.3	89%	0.892	81%	0.812	S	S	*	*			trans	-142.3	126.9	149.4	-91.4	0	0	0	0	110.6
148	P	29.4	Very low	26	Very low	113 Å²	113	133.4 Å²	133.4	73%	0.734	81%	0.813	S	S	*	*			trans	-95.9	127.3	163.2	34.5	-28.1	0	0	0	110.8
149	S	23.1	Very low	26.2	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	80%	0.804	S	S	*	*				84.9	109.5	86	-57.7	0	0	0	0	114.7
150	A	25.1	Very low	26	Very low	108 Å²	108	133.9 Å²	133.9	89%	0.893	80%	0.804	S	S	*	*			trans	-160.7	127.4	157.1	0	0	0	0	0	112.7
151	E	21.4	Very low	25.9	Very low	183 Å²	183	134.2 Å²	134.2	86%	0.855	81%	0.812	S	S	*	*			trans	-136.6	170.8	162.8	-101.3	-129.1	126.7	0	0	106.1
152	P	42.8	Very low	25.7	Very low	105 Å²	105	130 Å²	130	68%	0.682	82%	0.816	S	S	*	*			cis	-134.3	171.6	-40.8	37.1	-21.9	0	0	0	112.2
153	A	21.8	Very low	25.5	Very low	102 Å²	102	127.4 Å²	127.4	84%	0.843	81%	0.809	S	S	*	*			trans	-175.1	148.3	151.7	0	0	0	0	0	114.7
154	H	23.1	Very low	25.5	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.875	81%	0.809	S	S	*	*			trans	-109.3	-174.8	163.7	-76.2	-62.2	0	0	0	109.5
155	P	37.6	Very low	25.5	Very low	111 Å²	111	132.7 Å²	132.7	72%	0.721	81%	0.809	S	S	*	*			cis	-134	-168.1	-11.4	22.5	3.4	0	0	0	114.6
156	L	23.9	Very low	25.5	Very low	178 Å²	178	133.9 Å²	133.9	93%	0.932	82%	0.815	S	S	*	*			trans	87.8	141.9	144.8	-126.1	80.7	0	0	0	120.4
157	G	24.8	Very low	25.6	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	82%	0.818	S	S	*	*			trans	142.7	121.9	166.5	0	0	0	0	0	114.9
158	E	25.1	Very low	26	Very low	178 Å²	178	130.4 Å²	130.4	83%	0.832	81%	0.81	S	S	*	*			trans	-100	171.4	-171.8	-55.6	178.1	84.3	0	0	116.1
159	L	26.5	Very low	25.7	Very low	134 Å²	134	131.9 Å²	131.9	70%	0.702	81%	0.812	S	S	*	*			trans	82	108.6	143.9	-79.2	160.5	0	0	0	122.9
160	R	23.3	Very low	26	Very low	227 Å²	227	136.1 Å²	136.1	86%	0.857	81%	0.809	S	S	*	*			trans	60.3	119	132.1	-86.6	-175.8	176.5	-179.6	-0.2	122.9
161	A	22.7	Very low	26	Very low	108 Å²	108	135.9 Å²	135.9	89%	0.893	79%	0.793	S	S	*	*				76.8	144.4	129.6	0	0	0	0	0	120.5
162	G	22.9	Very low	26.2	Very low	84 Å²	84	137 Å²	137	87%	0.866	79%	0.791	S	S	*	*			trans	140.6	143	-179.1	0	0	0	0	0	110.5
163	G	21.8	Very low	25.3	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	80%	0.798	S	S	*	*			trans	-124.8	-170.4	-177	0	0	0	0	0	114.4
164	D	24.1	Very low	25.6	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	80%	0.798	S	S	*	*			trans	90	97.2	150.8	-56.6	-3.2	0	0	0	121
165	H	25	Very low	26.6	Very low	167 Å²	167	137.7 Å²	137.7	77%	0.773	79%	0.791	S	S	*	*				66.2	109.7	118.4	-65	-56.5	0	0	0	123.4
166	L	26	Very low	26.1	Very low	178 Å²	178	137.3 Å²	137.3	93%	0.932	79%	0.791	S	S	*	*				-142.6	150.9	125.5	-66.5	179.3	0	0	0	106.9
167	G	24	Very low	26.2	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	78%	0.783	S	S	*	*			cis	105.5	121.8	7.9	0	0	0	0	0	111.2
168	A	30.5	Very low	26.4	Very low	86 Å²	86	136.7 Å²	136.7	71%	0.711	79%	0.785	S	S	*	*			cis	-137.3	-168.5	2.9	0	0	0	0	0	109.6
169	D	24.1	Very low	26.3	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	79%	0.786	S	S	*	*			cis	-139.5	164.1	17.4	-84.7	-53.9	0	0	0	110.6
170	R	29.1	Very low	26.2	Very low	210 Å²	210	129.5 Å²	129.5	79%	0.792	79%	0.79	S	S	*	*			cis	84.2	141.4	25.1	-74.2	-165.3	163.7	-164.3	-2.3	116.9
171	N	25.8	Very low	26.4	Very low	103 Å²	103	123.4 Å²	123.4	55%	0.551	78%	0.782	S	S	*	*			cis	-171.3	152.1	-26.4	-123.5	-1.8	0	0	0	113.8
172	Y	25.6	Very low	26.6	Very low	205 Å²	205	128.8 Å²	128.8	80%	0.804	78%	0.781	S	S	*	*			trans	62.3	168.1	158.3	-59.4	-55.2	0	0	0	119.8
173	V	24.5	Very low	26.9	Very low	139 Å²	139	133.1 Å²	133.1	84%	0.842	78%	0.776	S	S	*	*			cis	-144	168.7	17.9	-160.3	0	0	0	0	112.8
174	L	27.4	Very low	27.1	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	77%	0.774	S	S	*	*			trans	-94.8	-163.7	173.2	-59.9	164.1	0	0	0	111.9
175	P	44.1	Very low	27.1	Very low	111 Å²	111	137.5 Å²	137.5	72%	0.721	77%	0.773	S	S	*	*			cis	-141.7	-167.8	-5.6	44.3	-24.3	0	0	0	117.5
176	S	26.2	Very low	27.3	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	77%	0.773	S	S	*	*			trans	72.1	152.7	157.5	-83.2	0	0	0	0	120.4
177	D	26.4	Very low	27.4	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	77%	0.771	S	S	*	*			cis	-159.9	168.1	-7.3	-132	-60.9	0	0	0	114.4
178	A	28.5	Very low	27.4	Very low	98 Å²	98	143.1 Å²	143.1	81%	0.81	77%	0.768	S	S	*	*			trans	54.6	150.3	168.6	0	0	0	0	0	120.3
179	G	23.5	Very low	27.3	Very low	84 Å²	84	146 Å²	146	87%	0.866	78%	0.776	S	S	*	*			cis	143.5	145.6	-0.8	0	0	0	0	0	110.8
180	G	24.3	Very low	27.4	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	77%	0.77	S	S	*	*			cis	175.1	-178.5	-1.9	0	0	0	0	0	111.9
181	S	28.5	Very low	27.2	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	76%	0.763	S	S	*	*			trans	74.2	150.7	-179.8	-127.1	0	0	0	0	116.7
182	Y	26.5	Very low	27.2	Very low	222 Å²	222	139.3 Å²	139.3	87%	0.871	77%	0.774	S	S	*	*			cis	-134.4	175.3	18.1	-63	-95.2	0	0	0	114.5
183	K	28.8	Very low	27.3	Very low	175 Å²	175	132.9 Å²	132.9	76%	0.761	76%	0.764	S	S	*	*			trans	-64.1	176	-176.2	-70.1	-171	174.7	-169.2	0	115.7
184	E	25.4	Very low	27.5	Very low	146 Å²	146	132.5 Å²	132.5	68%	0.682	76%	0.757	S	S	*	*			cis	-160.9	154.2	35.4	-148.4	134.1	-114.3	0	0	116.5
185	E	25.4	Very low	27.5	Very low	161 Å²	161	132.4 Å²	132.4	75%	0.752	75%	0.752	S	S	*	*			trans	30.5	121.6	159.3	-67.6	174	-174.4	0	0	121.5
186	E	28.8	Very low	26.6	Very low	163 Å²	163	131.9 Å²	131.9	76%	0.762	75%	0.751	S	S	*	*				91.6	112.2	50.6	-81	-144.8	134.3	0	0	116.5
187	R	28.3	Very low	26.6	Very low	240 Å²	240	134 Å²	134	91%	0.906	75%	0.754	S	S	*	*				-164.4	134.4	112.7	-153.1	159.1	-66.2	-173	0.4	112.9
188	N	24	Very low	26.5	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	75%	0.751	S	S	*	*			trans	-108.2	-172.6	-178.6	-77.3	-65.6	0	0	0	113.4
189	V	27.9	Very low	26.3	Very low	146 Å²	146	135.8 Å²	135.8	89%	0.885	75%	0.748	S	S	*	*			trans	85.8	129.4	166.7	-177.3	0	0	0	0	114.4
190	A	25.8	Very low	26.4	Very low	76 Å²	76	138.8 Å²	138.8	63%	0.628	74%	0.744	S	S	*	*			cis	-160.8	176.4	-13.3	0	0	0	0	0	108.4
191	S	26	Very low	26.4	Very low	93 Å²	93	143.4 Å²	143.4	65%	0.65	75%	0.745	S	S	*	*			cis	69.8	139.4	30.1	152.8	0	0	0	0	113.6
192	D	25.6	Very low	27.1	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	75%	0.747	S	S	*	*			cis	-165.6	168.8	-9.3	-91.4	-33.5	0	0	0	108.3
193	A	27.7	Very low	27.9	Very low	71 Å²	71	139.1 Å²	139.1	59%	0.587	74%	0.741	S	S	*	*			cis	-175	-168.1	-23.1	0	0	0	0	0	109.5
194	N	27.7	Very low	28.5	Very low	130 Å²	130	136 Å²	136	70%	0.695	74%	0.739	S	S	*	*			trans	81.7	124.2	147.3	-74.3	-22.6	0	0	0	124.6
195	H	27.9	Very low	29.3	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.736	74%	0.744	S	S	*	*			trans	83.2	117.6	131.6	-67.7	-34.4	0	0	0	124.5
196	S	25.4	Very low	30.6	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	74%	0.743	S	S	*	*				73.5	150.7	123.2	-62.1	0	0	0	0	121.2
197	L	26	Very low	31	Very low	148 Å²	148	130.5 Å²	130.5	78%	0.775	74%	0.744	S	S	*	*			cis	-171.3	161.2	-29.6	-121.7	175.4	0	0	0	109.7
198	L	24.6	Very low	30.8	Very low	135 Å²	135	128.4 Å²	128.4	71%	0.707	74%	0.742	S	S	*	*			trans	75.3	109	159.5	-59.5	166.3	0	0	0	123.3
199	L	24.6	Very low	30.9	Very low	143 Å²	143	127.8 Å²	127.8	75%	0.749	74%	0.743	S	S	*	*				66.8	127.9	122.1	-62.9	178.2	0	0	0	126.3
200	L	24.8	Very low	31	Very low	148 Å²	148	128.6 Å²	128.6	78%	0.775	74%	0.737	S	S	*	*			trans	87.2	148.4	134.8	-73.8	164.3	0	0	0	123.5
201	Q	24	Very low	31	Very low	173 Å²	173	132.7 Å²	132.7	81%	0.808	75%	0.748	S	S	*	*			trans	-97.5	-178	-162.8	-60.2	166.4	-69.1	0	0	113.7
202	P	43.2	Very low	31.1	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	75%	0.752	S	S	*	*			cis	-126.4	-130.1	-31.5	29.2	-3.6	0	0	0	109.2
203	P	44	Very low	31	Very low	115 Å²	115	135.8 Å²	135.8	75%	0.747	75%	0.752	S	S	*	*			cis	-123.1	-93	-26.8	22.1	5.1	0	0	0	118.1
204	P	41.3	Very low	30.7	Very low	109 Å²	109	137.8 Å²	137.8	71%	0.708	76%	0.757	S	S	*	*			trans	-137.9	-165	-147.8	43.1	-19.5	0	0	0	116.6
205	P	42.1	Very low	31.6	Very low	121 Å²	121	136.9 Å²	136.9	79%	0.786	76%	0.759	S	S	*	*				-117.5	-131.6	-66.9	43.3	-26.6	0	0	0	111.5
206	P	53.5	Low	31.3	Very low	113 Å²	113	133.7 Å²	133.7	73%	0.734	76%	0.76	S	S	*	*			trans	-127.2	167.6	-140.7	40.4	-19.3	0	0	0	119.2
207	P	36.6	Very low	32.3	Very low	122 Å²	122	133.8 Å²	133.8	79%	0.792	76%	0.758	S	S	*	*			trans	-137.4	161.7	132.4	30.3	-13.1	0	0	0	112.8
208	K	24.2	Very low	32.2	Very low	195 Å²	195	135.5 Å²	135.5	85%	0.848	76%	0.759	S	S	*	*			cis	102.4	118	24.6	-108.5	-159.4	176.4	-158.5	0	115.9
209	T	26.6	Very low	32.1	Very low	123 Å²	123	135 Å²	135	76%	0.755	76%	0.762	S	S	*	*			trans	-176.3	120.5	151.6	15.9	0	0	0	0	104.9
210	E	29	Very low	32	Very low	163 Å²	163	134 Å²	134	76%	0.762	77%	0.768	S	S	*	*				72.6	131.3	76.2	-68.6	169.8	163.3	0	0	111.5
211	D	26.1	Very low	32.3	Very low	162 Å²	162	133.5 Å²	133.5	87%	0.866	77%	0.77	S	S	*	*				-139	-179.1	55.4	-136.8	-35.8	0	0	0	116.8
212	H	28.3	Very low	33	Very low	157 Å²	157	130.5 Å²	130.5	73%	0.727	77%	0.766	S	S	*	*			trans	-106	156.9	-172	-99.7	-101.2	0	0	0	114.8
213	D	23	Very low	32.2	Very low	149 Å²	149	129.9 Å²	129.9	80%	0.797	76%	0.764	S	S	*	*				-176.3	170.4	104.7	-133	-30	0	0	0	115.1
214	T	21.8	Very low	31.5	Very low	113 Å²	113	132.4 Å²	132.4	69%	0.693	77%	0.768	S	S	*	*			trans	-153.8	-170.5	-177.4	67.8	0	0	0	0	111.2
215	P	45.6	Very low	30.7	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	77%	0.771	S	S	*	*			cis	-134.8	171.2	-18.7	38.6	-21.6	0	0	0	116
216	A	23.3	Very low	29.8	Very low	91 Å²	91	135.4 Å²	135.4	75%	0.752	77%	0.773	S	S	*	*			trans	68.5	173.3	145	0	0	0	0	0	120.3
217	P	45.9	Very low	28.7	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	78%	0.777	S	S	*	*				-139.5	174.4	-52.4	39.9	-24.9	0	0	0	117
218	F	24	Very low	28.9	Very low	184 Å²	184	137.9 Å²	137.9	81%	0.807	77%	0.774	S	S	*	*			trans	77.4	121.9	153.7	-64.9	-55.6	0	0	0	124.1
219	T	21.6	Very low	29.1	Very low	125 Å²	125	134.5 Å²	134.5	77%	0.767	77%	0.77	S	S	*	*			trans	57.3	118.4	139.3	58.8	0	0	0	0	122.8
220	S	23.1	Very low	29.1	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	77%	0.77	S	S	*	*				179	165.3	105.3	46	0	0	0	0	113.5
221	V	30.6	Very low	28.9	Very low	137 Å²	137	130.9 Å²	130.9	83%	0.83	77%	0.766	S	S	*	*			trans	-146.2	135.7	-173.9	169.1	0	0	0	0	105.6
222	P	39.3	Very low	28.7	Very low	110 Å²	110	129.6 Å²	129.6	71%	0.714	76%	0.764	S	S	*	*				-163.7	173.2	93.7	43.8	-22.5	0	0	0	120.3
223	S	25.6	Very low	28.5	Very low	101 Å²	101	128.3 Å²	128.3	71%	0.706	77%	0.767	S	S	*	*			trans	65.1	118.9	143.6	-71.4	0	0	0	0	121.4
224	M	28.9	Very low	28.6	Very low	168 Å²	168	126.3 Å²	126.3	83%	0.828	76%	0.764	S	S	*	*				77	151.9	85.8	-66.1	-147	174.4	0	0	114.2
225	M	25.7	Very low	28.7	Very low	158 Å²	158	128.4 Å²	128.4	78%	0.778	78%	0.777	S	S	*	*			cis	-158.6	166.5	12.7	-148.7	-170.4	-158	0	0	110.4
226	T	23.6	Very low	27.6	Very low	136 Å²	136	126.1 Å²	126.1	83%	0.834	77%	0.774	S	S	*	*				176.2	136.8	121.8	35	0	0	0	0	114
227	Q	29.4	Very low	27.6	Very low	173 Å²	173	129.1 Å²	129.1	81%	0.808	78%	0.776	S	S	*	*			trans	-112.4	-171.9	149.3	-79.6	-169.5	-25.7	0	0	108.5
228	P	40.8	Very low	26.5	Very low	114 Å²	114	132.7 Å²	132.7	74%	0.74	78%	0.784	S	S	*	*				-148.3	142.5	110.4	33.1	-15.4	0	0	0	118.9
229	V	28.6	Very low	26.4	Very low	124 Å²	124	129.4 Å²	129.4	75%	0.752	78%	0.779	S	S	*	*			trans	67.5	151.7	130.4	175.6	0	0	0	0	117.7
230	L	26.4	Very low	26.5	Very low	144 Å²	144	127.9 Å²	127.9	75%	0.754	77%	0.773	S	S	*	*			cis	-145.8	160.9	19.3	-153.5	139.8	0	0	0	110.9	T232	L230-T232 HydrophobicContact CD2-CG2 4.26Å
231	G	24.1	Very low	26.5	Very low	66 Å²	66	128.4 Å²	128.4	68%	0.68	77%	0.772	S	S	*	*			cis	149.6	12.1	-13.1	0	0	0	0	0	120.3
232	T	23	Very low	26.2	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	77%	0.769	S	S	*	*			trans	-124.4	153.9	-177.1	34.7	0	0	0	0	116.9	L230	L230-T232 HydrophobicContact CD2-CG2 4.26Å
233	V	25	Very low	25.5	Very low	131 Å²	131	127.4 Å²	127.4	79%	0.794	77%	0.773	S	S	*	*			trans	-146.9	137.6	-152.1	166.4	0	0	0	0	115.3
234	S	25	Very low	25.3	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	78%	0.78	S	S	*	*			trans	47.6	117.7	152.4	-60.2	0	0	0	0	125.5
235	T	23.9	Very low	25.2	Very low	157 Å²	157	129 Å²	129	96%	0.963	78%	0.78	S	S	*	*			trans	-172.8	160.2	134.6	10.6	0	0	0	0	109.7
236	G	21.3	Very low	25.6	Very low	64 Å²	64	126.9 Å²	126.9	66%	0.66	78%	0.778	S	S	*	*			cis	169.2	143	-12.1	0	0	0	0	0	113.9
237	I	23.3	Very low	25.4	Very low	155 Å²	155	130.6 Å²	130.6	80%	0.795	78%	0.779	S	S	*	*			trans	67.8	119.3	166.8	-59.9	178.9	0	0	0	119
238	Q	24.3	Very low	25	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	78%	0.783	S	S	*	*			trans	34.3	147.7	143.7	-50	176.4	6	0	0	121.4
239	T	21.1	Very low	24.1	Very low	115 Å²	115	132.1 Å²	132.1	71%	0.706	78%	0.78	S	S	*	*			cis	-152.7	155.5	36.1	47.6	0	0	0	0	116
240	S	22.9	Very low	23.8	Very low	93 Å²	93	134.9 Å²	134.9	65%	0.65	79%	0.785	S	S	*	*			trans	63.3	112.3	139.9	65.1	0	0	0	0	124.6
241	T	23.6	Very low	23.6	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	79%	0.785	S	S	*	*			trans	64.1	147.2	132.5	54	0	0	0	0	121
242	S	25.1	Very low	23.6	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	79%	0.794	S	S	*	*			cis	-162.1	161	7.1	42.1	0	0	0	0	109.8
243	S	24.3	Very low	23.6	Very low	116 Å²	116	135 Å²	135	81%	0.811	79%	0.793	S	S	*	*			cis	-163.2	177.4	-11.8	49.1	0	0	0	0	109.2
244	C	21.5	Very low	23.5	Very low	127 Å²	127	135.9 Å²	135.9	86%	0.858	79%	0.793	S	S	*	*			trans	-98.6	168.4	-159.2	-56.8	0	0	0	0	117.8
245	Q	25.9	Very low	23.5	Very low	175 Å²	175	139.9 Å²	139.9	82%	0.818	80%	0.797	S	S	*	*			trans	-48.2	168.6	152.2	-82.1	-169.7	5.4	0	0	113.6
246	P	33.6	Very low	23.5	Very low	115 Å²	115	137 Å²	137	75%	0.747	78%	0.784	S	S	*	*			cis	-157.7	-166	43.8	45.6	-22.2	0	0	0	119.9
247	Y	20.2	Very low	23.7	Very low	214 Å²	214	143 Å²	143	84%	0.839	79%	0.791	S	S	*	*			trans	-33.1	147.3	162.6	-79.7	-109.1	0	0	0	117.5
248	K	20.3	Very low	23.8	Very low	205 Å²	205	142 Å²	142	89%	0.891	79%	0.787	S	S	*	*				-167.5	-165.9	105.2	-143.7	163.1	177.4	177.9	0	113.4
249	V	23	Very low	23.8	Very low	114 Å²	114	138.9 Å²	138.9	69%	0.691	79%	0.785	S	S	*	*			trans	-127.3	168.6	-161.2	163.9	0	0	0	0	109.9
250	Q	22.1	Very low	23.9	Very low	181 Å²	181	141.5 Å²	141.5	85%	0.846	79%	0.787	S	S	*	*			trans	77	152.1	177.6	-77.9	150.5	-22.5	0	0	115.4
251	S	22.7	Very low	24	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	79%	0.793	S	S	*	*			cis	-164.1	178.7	-10.7	46.1	0	0	0	0	111.3
252	N	23.2	Very low	24.3	Very low	163 Å²	163	143.6 Å²	143.6	87%	0.872	79%	0.79	S	S	*	*			trans	-52.8	154.5	174.9	-54.2	-0.8	0	0	0	114.7
253	G	24.1	Very low	25	Very low	77 Å²	77	143.6 Å²	143.6	79%	0.794	79%	0.787	S	S	*	*			trans	-173	132.3	166.6	0	0	0	0	0	113
254	D	22.2	Very low	25.1	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	78%	0.782	S	S	*	*			trans	-88	161.7	-163.4	-76.8	-80.5	0	0	0	118.1
255	F	24.4	Very low	25.2	Very low	190 Å²	190	145.5 Å²	145.5	83%	0.833	78%	0.78	S	S	*	*			trans	20.7	138	146.3	-84.9	-99.1	0	0	0	122.3
256	S	24.1	Very low	25.3	Very low	97 Å²	97	141 Å²	141	68%	0.678	77%	0.773	S	S	*	*				177.4	141	114.7	-86.2	0	0	0	0	116.6
257	K	26.7	Very low	25.1	Very low	188 Å²	188	142.2 Å²	142.2	82%	0.817	78%	0.778	S	S	*	*			trans	67.9	161.7	144.8	-70.9	171.1	-176.6	174.9	0	120.1
258	N	24.2	Very low	25.3	Very low	134 Å²	134	139 Å²	139	72%	0.717	78%	0.775	S	S	*	*			cis	-176.4	139.1	-41.7	-119.7	56.4	0	0	0	110.1
259	S	24.1	Very low	25.6	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	77%	0.771	S	S	*	*			trans	175.6	130	153.6	-90.9	0	0	0	0	109.1
260	F	24.4	Very low	25.7	Very low	170 Å²	170	136.4 Å²	136.4	75%	0.746	77%	0.77	S	S	*	*				71.2	124.1	63	-78.5	-123.2	0	0	0	112
261	L	25	Very low	25.9	Very low	149 Å²	149	133.5 Å²	133.5	78%	0.78	76%	0.764	S	S	*	*			cis	-153.2	170.6	6.6	-99.9	168	0	0	0	112.8
262	T	28.6	Very low	25.9	Very low	124 Å²	124	136.3 Å²	136.3	76%	0.761	77%	0.765	S	S	*	*			trans	-102.1	-168.1	168.1	51.1	0	0	0	0	110.1
263	P	40.3	Very low	26.1	Very low	108 Å²	108	133.3 Å²	133.3	70%	0.701	75%	0.753	S	S	*	*			cis	-129.1	-145.5	3.1	34	-7.1	0	0	0	112.1
264	D	26.2	Very low	26.1	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	75%	0.752	S	S	*	*			cis	-164.6	-176.6	9.2	-140.8	-35.5	0	0	0	113.2
265	N	24.6	Very low	26.2	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	75%	0.751	S	S	*	*			trans	76.8	140.8	165.9	-64.2	-33.8	0	0	0	119.6
266	A	27	Very low	26.1	Very low	82 Å²	82	131.1 Å²	131.1	68%	0.678	75%	0.749	S	S	*	*			cis	-169.2	167.1	-17.4	0	0	0	0	0	112.4
267	V	29.7	Very low	26.2	Very low	140 Å²	140	134.1 Å²	134.1	85%	0.848	76%	0.756	S	S	*	*			trans	84.4	126.5	161	-167.7	0	0	0	0	119.1
268	D	24.1	Very low	26.3	Very low	147 Å²	147	129.5 Å²	129.5	79%	0.786	75%	0.747	S	S	*	*			trans	-87.4	168	172.7	-61.3	-81.5	0	0	0	114.1
269	I	26.8	Very low	26.4	Very low	155 Å²	155	130 Å²	130	80%	0.795	75%	0.75	S	S	*	*				-177.4	118.1	120.3	-92.9	159.2	0	0	0	113.2
270	T	25.2	Very low	27	Very low	109 Å²	109	130 Å²	130	67%	0.669	75%	0.75	S	S	*	*			trans	11.2	131.4	154.7	67.3	0	0	0	0	125
271	T	26.3	Very low	27.4	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	75%	0.749	S	S	*	*				72.9	127.2	126.4	57.5	0	0	0	0	125.3
272	E	23.1	Very low	27.6	Very low	167 Å²	167	129.3 Å²	129.3	78%	0.78	75%	0.745	S	S	*	*			trans	87.1	115.9	131.8	-74.7	-164.8	131.3	0	0	125.1
273	T	27.2	Very low	27.8	Very low	101 Å²	101	127.8 Å²	127.8	62%	0.62	74%	0.739	S	S	*	*			trans	64.4	115.8	134.6	60.8	0	0	0	0	124.2
274	N	23.7	Very low	27.1	Very low	144 Å²	144	131.6 Å²	131.6	77%	0.77	74%	0.744	S	S	*	*				61.4	112.6	126.4	-54.6	-18.7	0	0	0	121.6
275	S	25.3	Very low	27	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	74%	0.744	S	S	*	*				149	157.9	111.2	-63.3	0	0	0	0	115.9
276	C	21.5	Very low	27.9	Very low	116 Å²	116	130 Å²	130	78%	0.784	74%	0.743	S	S	*	*			trans	75.6	102.8	153.9	-65	0	0	0	0	123.3
277	L	25.7	Very low	27.9	Very low	159 Å²	159	128.5 Å²	128.5	83%	0.832	74%	0.735	S	S	*	*				49.4	133	117.6	-91.5	77.7	0	0	0	125
278	S	28.5	Very low	27.8	Very low	91 Å²	91	131.2 Å²	131.2	64%	0.636	74%	0.736	S	S	*	*			trans	100.1	133.5	130.7	-67.5	0	0	0	0	124.1
279	N	26.5	Very low	27.8	Very low	146 Å²	146	127.7 Å²	127.7	78%	0.781	73%	0.734	S	S	*	*			trans	59.4	117.9	145.4	-59.8	-1.3	0	0	0	119.9
280	S	37.1	Very low	28	Very low	109 Å²	109	127 Å²	127	76%	0.762	73%	0.727	S	S	*	*				117.9	168.7	83.4	61	0	0	0	0	109
281	E	32.4	Very low	28.4	Very low	155 Å²	155	128.4 Å²	128.4	72%	0.724	73%	0.728	S	S	*	*			cis	-169.2	-177.2	33.7	-148	-151.9	114.3	0	0	113.5
282	H	30.3	Very low	28.5	Very low	151 Å²	151	128.6 Å²	128.6	70%	0.699	73%	0.725	S	S	*	*			trans	65.7	160.7	173.1	-98	51.4	0	0	0	116
283	S	32.3	Very low	28.8	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	73%	0.725	S	S	*	*			cis	-167.3	-175.3	-21.5	56.4	0	0	0	0	108.1
284	K	26.5	Very low	28.8	Very low	187 Å²	187	130.9 Å²	130.9	81%	0.813	73%	0.732	S	S	*	*			cis	-155.8	-151.7	10.5	-149.1	163	-176	170.4	0	111.3
285	D	22.6	Very low	28.9	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	73%	0.732	S	S	*	*			trans	-149.6	-175.1	-163.1	-145.1	18.6	0	0	0	110.7	G287	D285-G287 PolarHBondContact OD1-N 3.43Å; D285-G287 VanDerWaalsContact OD1-N 3.16Å
286	P	43.9	Very low	29	Very low	119 Å²	119	132.5 Å²	132.5	77%	0.773	73%	0.726	S	S	*	*			cis	-85.9	171.6	9.8	39.3	-39.8	0	0	0	113.9
287	G	27.3	Very low	29.5	Very low	50 Å²	50	134.9 Å²	134.9	52%	0.515	73%	0.726	S	S	.	*			cis	97.8	145	13.3	0	0	0	0	0	111.6	D285	D285-G287 PolarHBondContact OD1-N 3.43Å; D285-G287 VanDerWaalsContact OD1-N 3.16Å
288	F	27.2	Very low	29.7	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.864	73%	0.725	S	S	*	*			cis	-102.8	-173.6	1.8	-75	-111.7	0	0	0	109.9
289	G	24.6	Very low	29.7	Very low	72 Å²	72	138 Å²	138	74%	0.742	74%	0.736	S	S	*	*			cis	155.4	-167.5	4.8	0	0	0	0	0	109.1
290	Q	31.4	Very low	29.8	Very low	141 Å²	141	134.2 Å²	134.2	66%	0.659	73%	0.731	S	S	*	*			cis	-167.3	138.1	-10.3	-175.2	177.8	-61.9	0	0	109.5
291	M	32.6	Very low	29.5	Very low	138 Å²	138	136.6 Å²	136.6	68%	0.68	74%	0.735	S	S	*	*			trans	56.7	149.1	158.7	82.8	-162.2	-74.1	0	0	120.9
292	D	28.1	Very low	29.5	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	75%	0.745	S	S	*	*			cis	-136.2	176.3	6.4	-71.4	-67	0	0	0	109.8
293	E	29.3	Very low	29.5	Very low	168 Å²	168	137.3 Å²	137.3	79%	0.785	75%	0.749	S	S	*	*			cis	-159.6	178.1	-44.9	-173.9	152	118.5	0	0	108.6
294	L	27.1	Very low	29.4	Very low	148 Å²	148	139.7 Å²	139.7	78%	0.775	75%	0.754	S	S	*	*			trans	-67.2	-173.3	-171.5	-54.6	165.5	0	0	0	114.3
295	Q	26.7	Very low	29.4	Very low	162 Å²	162	138.8 Å²	138.8	76%	0.757	75%	0.752	S	S	*	*			cis	-158.1	-164.9	23	-144.1	169.7	15.1	0	0	108
296	L	27.9	Very low	29.7	Very low	126 Å²	126	142 Å²	142	66%	0.66	76%	0.76	S	S	*	*			cis	-159.2	176.4	8.6	-175.4	56.9	0	0	0	109.6
297	E	31	Very low	28.9	Very low	166 Å²	166	145.5 Å²	145.5	78%	0.776	77%	0.767	S	S	*	*			trans	-87.4	171.8	174.7	-52.9	117.5	136.1	0	0	114.9
298	D	29.6	Very low	29.3	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	78%	0.781	S	S	*	*				-169.7	-176.9	118.6	-144.4	-12.9	0	0	0	114
299	L	30.4	Very low	30.1	Very low	163 Å²	163	146.6 Å²	146.6	85%	0.853	78%	0.776	S	S	*	*			trans	-100.5	174.9	-159.6	-66.2	158.8	0	0	0	118
300	G	27.8	Very low	30.2	Very low	66 Å²	66	147.5 Å²	147.5	68%	0.68	78%	0.776	S	S	*	*			trans	109.1	116.1	163.7	0	0	0	0	0	113.7
301	D	30.9	Very low	30.4	Very low	158 Å²	158	149.6 Å²	149.6	85%	0.845	79%	0.786	S	S	*	*			cis	68.7	103.6	43.1	-60.9	-35.3	0	0	0	115
302	D	32.1	Very low	30.3	Very low	176 Å²	176	149.2 Å²	149.2	94%	0.941	79%	0.787	S	S	*	*				-167.5	165.9	129.8	-120.5	-38.2	0	0	0	112
303	D	30.8	Very low	30.4	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	79%	0.793	S	S	*	*			trans	-106.1	-178.2	-156.6	-118.2	-47.5	0	0	0	116.8
304	L	29.9	Very low	30.2	Very low	141 Å²	141	146.1 Å²	146.1	74%	0.738	79%	0.791	S	S	*	*			trans	93.2	96.1	157.5	-50.6	-174.1	0	0	0	122.5
305	Q	26.1	Very low	30.2	Very low	169 Å²	169	146 Å²	146	79%	0.79	80%	0.797	S	S	*	*				37.8	134.2	119	-62.7	-179.2	-22.8	0	0	123.8
306	F	28.2	Very low	30.3	Very low	199 Å²	199	143.3 Å²	143.3	87%	0.873	80%	0.803	S	S	*	*			trans	11.7	135.6	142.8	-59.5	-95.9	0	0	0	119.4
307	E	28.8	Very low	30.4	Very low	193 Å²	193	146 Å²	146	90%	0.902	81%	0.812	S	S	*	*				-166.9	162.4	68.2	-80.1	-174.1	141.4	0	0	113.2
308	D	34.9	Very low	30.3	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	82%	0.82	S	S	*	*			trans	-84.5	150.2	156.5	-100.4	-51.1	0	0	0	108.7
309	P	43.1	Very low	30.2	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	81%	0.81	S	S	*	*				-157.9	150.9	57.4	39.7	-17.8	0	0	0	120.3
310	A	28.5	Very low	30.1	Very low	91 Å²	91	145.7 Å²	145.7	75%	0.752	81%	0.811	S	S	*	*			trans	51.7	-165.2	148.8	0	0	0	0	0	118
311	E	35.5	Very low	30	Very low	185 Å²	185	150 Å²	150	86%	0.864	81%	0.814	S	S	*	*			cis	-135.6	-171	-5.9	-51.8	175.9	120.3	0	0	107.3
312	D	30.7	Very low	29.9	Very low	131 Å²	131	149.3 Å²	149.3	70%	0.701	81%	0.809	S	S	*	*			cis	-161.9	177.3	-2.6	-164.9	9	0	0	0	110
313	I	29.6	Very low	29.5	Very low	153 Å²	153	146.7 Å²	146.7	79%	0.785	81%	0.805	S	S	*	*			trans	70.6	136.3	153.5	-79.8	155.7	0	0	0	121.5
314	G	25.6	Very low	29.4	Very low	73 Å²	73	146.4 Å²	146.4	75%	0.753	80%	0.803	S	S	*	*			trans	167.5	73.2	161.8	0	0	0	0	0	115.8
315	T	26.5	Very low	29.3	Very low	147 Å²	147	146.1 Å²	146.1	90%	0.902	80%	0.803	S	S	*	*			trans	-103.6	149.9	-178.1	44.9	0	0	0	0	114.7
316	A	28.8	Very low	29.6	Very low	105 Å²	105	144.3 Å²	144.3	87%	0.868	81%	0.808	S	S	*	*			trans	-154.2	128.1	158.1	0	0	0	0	0	109.7
317	E	29.6	Very low	30	Very low	183 Å²	183	143.6 Å²	143.6	86%	0.855	81%	0.808	S	S	*	*			trans	-100	152.7	170.4	-65	179.1	117.4	0	0	110.2
318	E	28.6	Very low	30	Very low	201 Å²	201	142.4 Å²	142.4	94%	0.939	81%	0.808	S	S	*	*			trans	-146.9	154.8	140.3	-141.6	169	-145.9	0	0	109.5
319	V	28.6	Very low	30.1	Very low	102 Å²	102	143.4 Å²	143.4	62%	0.618	81%	0.807	S	S	*	*			trans	-130.6	151.5	-155.4	171.8	0	0	0	0	110.9
320	I	26.9	Very low	29.4	Very low	171 Å²	171	145.7 Å²	145.7	88%	0.877	81%	0.812	S	S	*	*			trans	-170.9	148.5	141.9	-99.2	150.2	0	0	0	110.6
321	E	25.5	Very low	29.2	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	81%	0.807	S	S	*	*			trans	-108.6	153.6	-169	-69.3	-177.5	116.9	0	0	115
322	L	29	Very low	28.8	Very low	144 Å²	144	146.5 Å²	146.5	75%	0.754	81%	0.805	S	S	*	*			trans	39.7	129	137.4	-59	171.9	0	0	0	122.3
323	S	24.6	Very low	28.6	Very low	120 Å²	120	144.2 Å²	144.2	84%	0.839	81%	0.812	S	S	*	*				174.4	165.9	127.7	34.2	0	0	0	0	110.9
324	D	28.8	Very low	28.7	Very low	140 Å²	140	145 Å²	145	75%	0.749	81%	0.813	S	S	*	*				-160.7	-172	-60.8	-136.6	-32.3	0	0	0	108.1
325	D	27.7	Very low	28.8	Very low	136 Å²	136	149.6 Å²	149.6	73%	0.727	82%	0.82	S	S	*	*			trans	62.1	100.5	161.8	-68.4	-25.2	0	0	0	119.5
326	S	31.8	Very low	29.1	Very low	130 Å²	130	149.5 Å²	149.5	91%	0.909	81%	0.814	S	S	*	*				-157.6	107.8	111.6	-11	0	0	0	0	110.6
327	E	36.4	Very low	29.5	Very low	184 Å²	184	150.8 Å²	150.8	86%	0.86	81%	0.806	S	S	*	*			trans	-94.5	145.4	171	-56.2	-173.6	150.2	0	0	110.6
328	D	30.1	Very low	29.8	Very low	169 Å²	169	153.4 Å²	153.4	90%	0.904	81%	0.808	S	S	*	*			trans	-156.7	95.9	161.8	-111	-33.4	0	0	0	109.4
329	E	36.8	Very low	30.2	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	79%	0.79	S	S	*	*			trans	-78.6	130.7	168.7	-84.5	-157.6	112.5	0	0	110.9
330	L	27.3	Very low	30.9	Very low	166 Å²	166	152 Å²	152	87%	0.869	80%	0.8	S	S	*	*			trans	-139.7	79.3	151.2	-80.1	-174.5	0	0	0	112.4
331	T	25.9	Very low	31.7	Very low	104 Å²	104	150 Å²	150	64%	0.638	79%	0.785	S	S	*	*			trans	29.7	114.1	141.1	57.4	0	0	0	0	120
332	F	26.7	Very low	33.2	Very low	189 Å²	189	145 Å²	145	83%	0.829	77%	0.77	S	S	*	*			trans	17.6	105.4	143.4	-69.7	-90.7	0	0	0	119.1	E334	F332-E334 HydrophobicContact CD1-CG 4.43Å
333	G	25.6	Very low	34.3	Very low	82 Å²	82	140.4 Å²	140.4	85%	0.845	75%	0.746	S	S	*	*			trans	-92.5	95.4	144.7	0	0	0	0	0	109.9	N335	G333-N335 PolarHBondContact O-N 3.18Å
334	E	31.8	Very low	35.4	Very low	171 Å²	171	138 Å²	138	80%	0.799	73%	0.727	S	S	*	*			trans	-65.8	114.2	178.5	-71.4	-178.3	107.3	0	0	112	F332	F332-E334 HydrophobicContact CD1-CG 4.43Å
335	N	28.6	Very low	36.6	Very low	168 Å²	168	131.4 Å²	131.4	90%	0.898	69%	0.692	S	S	*	*			trans	-151.2	48.2	149.7	-108.9	-48	0	0	0	109.7	G333 N337	G333-N335 PolarHBondContact O-N 3.18Å; N335-N337 PolarHBondContact O-N 3.16Å
336	D	31.4	Very low	38	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	69%	0.69	S	S	*	*			trans	-71.7	96.3	170.7	-175.5	7.9	0	0	0	109.5
337	N	37.2	Very low	39.2	Very low	132 Å²	132	128.3 Å²	128.3	71%	0.706	66%	0.662	S	S	*	*			trans	-163.9	84.9	155.9	-115.8	-76	0	0	0	113	N335	N335-N337 PolarHBondContact O-N 3.16Å
338	R	36.6	Very low	40.4	Very low	238 Å²	238	122.5 Å²	122.5	90%	0.898	64%	0.641	S	S	*	*	S	Bend	trans	-160.6	49.3	146.1	-110.3	162.6	-160.7	-99.7	-0.8	113.4	N340	R338-N340 PolarHBondContact O-N 2.92Å
339	E	36	Very low	42	Very low	119 Å²	119	123 Å²	123	56%	0.556	64%	0.635	S	S	*	*			trans	34.4	67.2	152.8	-54	-156.8	148.5	0	0	118.7	K341	E339-K341 HydrophobicContact CB-CD 4.39Å; E339-K341 HydrophobicContact CB-CG 4.26Å; E339-K341 PolarHBondContact O-N 3.48Å; E339-K341 VanDerWaalsContact OE1-CE 3.22Å; E339-K341 WeakPolarHBondContact OE1-CE 3.42Å; E339-K341 IonicContact OE1-NZ 2.62Å; E339-K341 PolarHBondContact OE1-NZ 2.67Å; E339-K341 WeakPolarHBondContact OE2-CD 3.46Å; E339-K341 VanDerWaalsContact OE2-CE 3.25Å; E339-K341 WeakPolarHBondContact OE2-CE 3.49Å; E339-K341 IonicContact OE2-NZ 2.68Å; E339-K341 PolarHBondContact OE2-NZ 3.13Å
340	N	44.8	Very low	43.1	Very low	155 Å²	155	120.8 Å²	120.8	83%	0.829	62%	0.623	S	S	*	*			trans	-72.2	64.2	155.3	-85.9	-32.3	0	0	0	110.2	R338 A342	R338-N340 PolarHBondContact O-N 2.92Å; N340-A342 PolarHBondContact O-N 3Å
341	K	43	Very low	44.5	Very low	129 Å²	129	117.4 Å²	117.4	56%	0.561	61%	0.609	S	S	*	*			trans	-65	104.3	180	-86.5	173.6	177.5	158.3	0	110.1	E339	E339-K341 HydrophobicContact CB-CD 4.39Å; E339-K341 HydrophobicContact CB-CG 4.26Å; E339-K341 PolarHBondContact O-N 3.48Å; E339-K341 VanDerWaalsContact OE1-CE 3.22Å; E339-K341 WeakPolarHBondContact OE1-CE 3.42Å; E339-K341 IonicContact OE1-NZ 2.62Å; E339-K341 PolarHBondContact OE1-NZ 2.67Å; E339-K341 WeakPolarHBondContact OE2-CD 3.46Å; E339-K341 VanDerWaalsContact OE2-CE 3.25Å; E339-K341 WeakPolarHBondContact OE2-CE 3.49Å; E339-K341 IonicContact OE2-NZ 2.68Å; E339-K341 PolarHBondContact OE2-NZ 3.13Å
342	A	56.3	Low	46.1	Very low	51 Å²	51	113.3 Å²	113.3	42%	0.421	58%	0.583	S	S	.	*			trans	-58.9	139.3	173.2	0	0	0	0	0	110.5	N340 P344 V351	N340-A342 PolarHBondContact O-N 3Å; A342-P344 VanDerWaalsContact O-CD 3.26Å; A342-P344 WeakPolarHBondContact O-CD 3.44Å; A342-V351 HydrophobicContact CB-CG1 3.41Å; A342-V351 VanDerWaalsContact CB-CG1 3.41Å
343	M	52.7	Low	47.4	Very low	48 Å²	48	110.5 Å²	110.5	24%	0.236	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	105.5	-164	-64.5	-68.6	-83.2	0	0	110.2	C345 L352 I397 F398	M343-C345 PolarHBondContact O-N 3.36Å; M343-L352 PolarHBondContact N-O 3.18Å; M343-L352 PolarHBondContact O-N 2.92Å; M343-I397 HydrophobicContact CB-CD1 3.93Å; M343-I397 HydrophobicContact CB-CG1 4.11Å; M343-I397 HydrophobicContact CB-CG2 4.31Å; M343-I397 HydrophobicContact CE-CB 4.33Å; M343-I397 HydrophobicContact CE-CG1 4.48Å; M343-I397 HydrophobicContact CE-CG2 3.78Å; M343-I397 HydrophobicContact CG-CG2 4.48Å; M343-F398 WeakPolarHBondContact CE-O 3.48Å
344	P	48	Very low	48.6	Very low	70 Å²	70	110.8 Å²	110.8	46%	0.455	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	128.8	175	28.9	-33.9	0	0	0	110.7	A342 Q346	A342-P344 VanDerWaalsContact O-CD 3.26Å; A342-P344 WeakPolarHBondContact O-CD 3.44Å; P344-Q346 PolarHBondContact O-N 2.96Å
345	C	54.7	Low	49.7	Very low	0 Å²	0	106 Å²	106	0%	0	54%	0.54	C	S	.	.			trans	-65.2	117.5	167.6	173.6	0	0	0	0	109.5	M343 V347 K349 K350 H362 I395	M343-C345 PolarHBondContact O-N 3.36Å; C345-V347 PolarHBondContact O-N 3.06Å; C345-V347 VanDerWaalsContact O-N 3.11Å; C345-K349 WeakPolarHBondContact O-CA 3.48Å; C345-K349 PolarHBondContact O-N 3Å; C345-K350 WeakPolarHBondContact CB-O 3.33Å; C345-K350 PolarHBondContact N-O 3.1Å; C345-H362 PolarHBondContact SG-NE2 2.86Å; C345-I395 HydrophobicContact CB-CG2 4.37Å
346	Q	56.6	Low	50.9	Low	146 Å²	146	100.8 Å²	100.8	68%	0.682	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22	-174.2	-169.4	62.6	9.8	0	0	113.5	P344 I395	P344-Q346 PolarHBondContact O-N 2.96Å; Q346-I395 WeakPolarHBondContact CB-O 3.41Å; Q346-I395 PolarHBondContact N-O 3.29Å; Q346-I395 VanDerWaalsContact N-O 3.1Å
347	V	57.5	Low	51.8	Low	56 Å²	56	99.3 Å²	99.3	34%	0.339	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-48.5	-176.8	-176.9	0	0	0	0	112.5	C345 V376 H394 I395	C345-V347 PolarHBondContact O-N 3.06Å; C345-V347 VanDerWaalsContact O-N 3.11Å; V347-V376 HydrophobicContact CG1-CG1 4.34Å; V347-V376 HydrophobicContact CG1-CG2 3.9Å; V347-V376 HydrophobicContact CG2-CG1 4.16Å; V347-V376 HydrophobicContact CG2-CG2 4.11Å; V347-H394 HydrophobicContact CG2-CB 4.39Å; V347-I395 HydrophobicContact CG2-CG1 4.26Å
348	C	61.3	Low	52.8	Low	62 Å²	62	96.5 Å²	96.5	42%	0.419	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	8.7	-177.3	67.4	0	0	0	0	114.7	K350 H362	C348-K350 PolarHBondContact O-N 2.87Å; C348-H362 PolarHBondContact SG-CE1 2.89Å; C348-H362 PolarHBondContact SG-NE2 2.95Å
349	K	63	Low	53.7	Low	178 Å²	178	85.2 Å²	85.2	77%	0.774	44%	0.442	S	S	*	.			trans	59.3	6.9	178.4	-55.5	-178.7	-178.4	178.3	0	115.8	C345 V351	C345-K349 WeakPolarHBondContact O-CA 3.48Å; C345-K349 PolarHBondContact O-N 3Å; K349-V351 PolarHBondContact O-N 2.86Å
350	K	59.4	Low	54.7	Low	127 Å²	127	83.6 Å²	83.6	55%	0.552	43%	0.43	S	S	*	.			trans	-65.2	121.7	174.1	-171.8	171.7	-176.9	175.5	0	109.5	C345 C348 L352	C345-K350 WeakPolarHBondContact CB-O 3.33Å; C345-K350 PolarHBondContact N-O 3.1Å; C348-K350 PolarHBondContact O-N 2.87Å; K350-L352 HydrophobicContact CG-CD2 4.37Å
351	V	58	Low	55.5	Low	95 Å²	95	81.3 Å²	81.3	58%	0.576	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.9	174.2	-179.9	0	0	0	0	109	A342 K349	A342-V351 HydrophobicContact CB-CG1 3.41Å; A342-V351 VanDerWaalsContact CB-CG1 3.41Å; K349-V351 PolarHBondContact O-N 2.86Å
352	L	58	Low	56.4	Low	18 Å²	18	75.7 Å²	75.7	9%	0.094	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.9	178.1	-58.4	178.1	0	0	0	110.5	M343 K350 I359 H362 I397	M343-L352 PolarHBondContact N-O 3.18Å; M343-L352 PolarHBondContact O-N 2.92Å; K350-L352 HydrophobicContact CG-CD2 4.37Å; L352-I359 HydrophobicContact CB-CG1 4.39Å; L352-I359 HydrophobicContact CD1-CG1 3.99Å; L352-H362 HydrophobicContact CD1-CB 3.9Å; L352-H362 HydrophobicContact CD2-CB 4.27Å; L352-I397 HydrophobicContact CD1-CD1 3.94Å
353	E	55	Low	56.6	Low	130 Å²	130	73.3 Å²	73.3	61%	0.607	37%	0.37	S	S	*	.			trans	-64.1	152.7	164.5	-64.7	179.6	163.9	0	0	110.6	N355	E353-N355 PolarHBondContact O-N 3.36Å
354	P	51.3	Low	57.1	Low	88 Å²	88	75.5 Å²	75.5	57%	0.571	38%	0.376	S	S	*	.	S	Bend	trans	-73.2	45.9	179.2	31.9	-36.7	0	0	0	113.5
355	N	54.5	Low	57.9	Low	70 Å²	70	76.5 Å²	76.5	37%	0.374	38%	0.378	S	S	.	.			trans	-104.8	113.6	178.2	-178.9	-35.3	0	0	0	110.1	E353 Q357 L358 I359	E353-N355 PolarHBondContact O-N 3.36Å; N355-Q357 PolarHBondContact O-N 3.06Å; N355-Q357 VanDerWaalsContact O-N 3.11Å; N355-Q357 PolarHBondContact OD1-N 3.23Å; N355-L358 HydrophobicContact CB-CB 4.15Å; N355-L358 HydrophobicContact CB-CD1 3.97Å; N355-L358 HydrophobicContact CB-CG 3.99Å; N355-L358 PolarHBondContact O-N 3.41Å; N355-L358 VanDerWaalsContact O-N 3.09Å; N355-L358 PolarHBondContact OD1-N 3.06Å; N355-I359 WeakPolarHBondContact O-CD1 3.42Å; N355-I359 WeakPolarHBondContact O-CG1 3.42Å; N355-I359 PolarHBondContact O-N 2.77Å
356	I	52.7	Low	58.1	Low	58 Å²	58	77.4 Å²	77.4	30%	0.297	38%	0.382	S	S	.	.	H	α-helix	trans	-56.9	-30.3	-176.1	-167.3	169	0	0	0	113.6	R360 L399	I356-R360 HydrophobicContact CG1-CG 4.34Å; I356-R360 WeakPolarHBondContact O-CB 3.32Å; I356-R360 WeakPolarHBondContact O-CG 3.47Å; I356-R360 PolarHBondContact O-N 2.89Å; I356-L399 HydrophobicContact CD1-CD1 3.97Å; I356-L399 HydrophobicContact CG1-CD1 4Å
357	Q	52.2	Low	58.2	Low	116 Å²	116	70.6 Å²	70.6	54%	0.542	35%	0.35	S	S	.	.	H	α-helix	trans	-77.1	-38.8	178.8	-57.1	-63	1.5	0	0	111.8	N355 R360 Q361	N355-Q357 PolarHBondContact O-N 3.06Å; N355-Q357 VanDerWaalsContact O-N 3.11Å; N355-Q357 PolarHBondContact OD1-N 3.23Å; Q357-R360 CarbonylContact O-C 3.59Å; Q357-R360 PolarHBondContact O-N 3.33Å; Q357-Q361 VanDerWaalsContact O-CB 3.25Å; Q357-Q361 WeakPolarHBondContact O-CB 3.45Å; Q357-Q361 PolarHBondContact O-N 2.94Å
358	L	57.8	Low	58.2	Low	73 Å²	73	70.8 Å²	70.8	38%	0.382	35%	0.349	S	S	.	.	H	α-helix	trans	-66.9	-39.2	173.4	-62	-177.2	0	0	0	111.3	N355 Q361 H362	N355-L358 HydrophobicContact CB-CB 4.15Å; N355-L358 HydrophobicContact CB-CD1 3.97Å; N355-L358 HydrophobicContact CB-CG 3.99Å; N355-L358 PolarHBondContact O-N 3.41Å; N355-L358 VanDerWaalsContact O-N 3.09Å; N355-L358 PolarHBondContact OD1-N 3.06Å; L358-Q361 WeakPolarHBondContact O-CB 3.41Å; L358-Q361 PolarHBondContact O-N 3.29Å; L358-Q361 VanDerWaalsContact O-N 3.17Å; L358-H362 PolarHBondContact O-N 3.34Å
359	I	55.6	Low	58.1	Low	1 Å²	1	74.7 Å²	74.7	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-46.1	175.3	-65.4	158.8	0	0	0	110.8	L352 N355 Q361 H362 A363 L392 I397 L399	L352-I359 HydrophobicContact CB-CG1 4.39Å; L352-I359 HydrophobicContact CD1-CG1 3.99Å; N355-I359 WeakPolarHBondContact O-CD1 3.42Å; N355-I359 WeakPolarHBondContact O-CG1 3.42Å; N355-I359 PolarHBondContact O-N 2.77Å; I359-Q361 PolarHBondContact O-N 3.42Å; I359-H362 PolarHBondContact O-N 3.12Å; I359-A363 WeakPolarHBondContact O-CB 3.31Å; I359-A363 PolarHBondContact O-N 3.36Å; I359-L392 HydrophobicContact CG2-CD2 3.68Å; I359-I397 HydrophobicContact CD1-CG2 3.97Å; I359-I397 HydrophobicContact CG2-CB 4.5Å; I359-I397 HydrophobicContact CG2-CD1 4.39Å; I359-I397 HydrophobicContact CG2-CG2 4.04Å; I359-L399 HydrophobicContact CD1-CD2 3.87Å
360	R	56.9	Low	57.6	Low	85 Å²	85	74.6 Å²	74.6	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-19.8	171.4	-75.8	173.9	175.8	-171.2	-0.9	113	D95 I356 Q357 R364 L392	D95-R360 IonicContact OD2-NH1 2.69Å; D95-R360 IonicContact OD2-NH2 3.65Å; I356-R360 HydrophobicContact CG1-CG 4.34Å; I356-R360 WeakPolarHBondContact O-CB 3.32Å; I356-R360 WeakPolarHBondContact O-CG 3.47Å; I356-R360 PolarHBondContact O-N 2.89Å; Q357-R360 CarbonylContact O-C 3.59Å; Q357-R360 PolarHBondContact O-N 3.33Å; R360-R364 WeakPolarHBondContact O-CG 3.47Å; R360-R364 PolarHBondContact O-NH1 3.37Å; R360-L392 HydrophobicContact CG-CD1 4.31Å
361	Q	61.9	Low	57.6	Low	106 Å²	106	72.3 Å²	72.3	50%	0.495	37%	0.369	S	S	.	.	H	α-helix	trans	-81.4	-49.7	173.5	178.5	156.6	-18.4	0	0	111.5	Q357 L358 I359 A363 R364	Q357-Q361 VanDerWaalsContact O-CB 3.25Å; Q357-Q361 WeakPolarHBondContact O-CB 3.45Å; Q357-Q361 PolarHBondContact O-N 2.94Å; L358-Q361 WeakPolarHBondContact O-CB 3.41Å; L358-Q361 PolarHBondContact O-N 3.29Å; L358-Q361 VanDerWaalsContact O-N 3.17Å; I359-Q361 PolarHBondContact O-N 3.42Å; Q361-A363 PolarHBondContact O-N 3.12Å; Q361-R364 VanDerWaalsContact CA-CZ 3.48Å; Q361-R364 VanDerWaalsContact O-CB 3.32Å; Q361-R364 WeakPolarHBondContact O-CB 3.43Å; Q361-R364 PolarHBondContact O-N 3.05Å
362	H	61	Low	57.6	Low	12 Å²	12	68.3 Å²	68.3	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-34.5	175.4	-173.6	49.4	0	0	0	112.6	C345 C348 L352 L358 I359 R364 D365 H366	C345-H362 PolarHBondContact SG-NE2 2.86Å; C348-H362 PolarHBondContact SG-CE1 2.89Å; C348-H362 PolarHBondContact SG-NE2 2.95Å; L352-H362 HydrophobicContact CD1-CB 3.9Å; L352-H362 HydrophobicContact CD2-CB 4.27Å; L358-H362 PolarHBondContact O-N 3.34Å; I359-H362 PolarHBondContact O-N 3.12Å; H362-R364 PolarHBondContact O-N 3.42Å; H362-D365 WeakPolarHBondContact CA-OD2 3.34Å; H362-D365 IonicContact CE1-OD2 3.65Å; H362-D365 IonicContact CG-OD2 3.78Å; H362-D365 IonicContact ND1-OD2 2.8Å; H362-D365 PolarHBondContact ND1-OD2 3.02Å; H362-D365 WeakPolarHBondContact O-CB 3.48Å; H362-D365 PolarHBondContact O-N 3.26Å; H362-H366 AromaticContact CD2-NE2 3.78Å; H362-H366 AromaticContact CE1-CD2 3.92Å; H362-H366 AromaticContact CE1-NE2 3.28Å; H362-H366 PolarHBondContact CE1-NE2 2.79Å; H362-H366 VanDerWaalsContact CE1-NE2 3.28Å; H362-H366 AromaticContact NE2-CD2 3.65Å; H362-H366 AromaticContact NE2-NE2 2.95Å; H362-H366 PolarHBondContact NE2-NE2 3.07Å; H362-H366 PolarHBondContact O-CD2 3.5Å
363	A	60.3	Low	57.5	Low	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-11.5	171.9	0	0	0	0	0	114.7	I359 Q361 V388 V391 L392 I395	I359-A363 WeakPolarHBondContact O-CB 3.31Å; I359-A363 PolarHBondContact O-N 3.36Å; Q361-A363 PolarHBondContact O-N 3.12Å; A363-V388 HydrophobicContact CB-CG1 4.24Å; A363-V391 HydrophobicContact CB-CG1 4.18Å; A363-V391 WeakPolarHBondContact O-CG1 3.36Å; A363-L392 HydrophobicContact CB-CD2 3.74Å; A363-L392 HydrophobicContact CB-CG 3.96Å; A363-I395 HydrophobicContact CB-CD1 3.72Å
364	R	63.6	Low	57.5	Low	95 Å²	95	63 Å²	63	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-89.3	-18.6	171.9	-57	-173.9	-66.5	-101.1	15.7	112.7	R360 Q361 H362 H366 V367 V388	R360-R364 WeakPolarHBondContact O-CG 3.47Å; R360-R364 PolarHBondContact O-NH1 3.37Å; Q361-R364 VanDerWaalsContact CA-CZ 3.48Å; Q361-R364 VanDerWaalsContact O-CB 3.32Å; Q361-R364 WeakPolarHBondContact O-CB 3.43Å; Q361-R364 PolarHBondContact O-N 3.05Å; H362-R364 PolarHBondContact O-N 3.42Å; R364-H366 VanDerWaalsContact C-N 3.29Å; R364-V367 WeakPolarHBondContact O-CB 3.34Å; R364-V367 PolarHBondContact O-N 3.45Å; R364-V388 HydrophobicContact CG-CG2 4.33Å
365	D	63.8	Low	57.8	Low	90 Å²	90	63.7 Å²	63.7	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-32.8	174.1	-50.7	-25.3	0	0	0	110.5	H362 V367 K375	H362-D365 WeakPolarHBondContact CA-OD2 3.34Å; H362-D365 IonicContact CE1-OD2 3.65Å; H362-D365 IonicContact CG-OD2 3.78Å; H362-D365 IonicContact ND1-OD2 2.8Å; H362-D365 PolarHBondContact ND1-OD2 3.02Å; H362-D365 WeakPolarHBondContact O-CB 3.48Å; H362-D365 PolarHBondContact O-N 3.26Å; D365-V367 PolarHBondContact O-N 3.03Å; D365-K375 WeakPolarHBondContact O-CD 3.38Å; D365-K375 PolarHBondContact O-NZ 2.98Å
366	H	59	Low	58	Low	19 Å²	19	63 Å²	63	9%	0.088	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	15.9	175.5	-63.5	-71.5	0	0	0	114.2	H362 R364 K375 V376 V391	H362-H366 AromaticContact CD2-NE2 3.78Å; H362-H366 AromaticContact CE1-CD2 3.92Å; H362-H366 AromaticContact CE1-NE2 3.28Å; H362-H366 PolarHBondContact CE1-NE2 2.79Å; H362-H366 VanDerWaalsContact CE1-NE2 3.28Å; H362-H366 AromaticContact NE2-CD2 3.65Å; H362-H366 AromaticContact NE2-NE2 2.95Å; H362-H366 PolarHBondContact NE2-NE2 3.07Å; H362-H366 PolarHBondContact O-CD2 3.5Å; R364-H366 VanDerWaalsContact C-N 3.29Å; H366-K375 WeakPolarHBondContact O-CB 3.5Å; H366-K375 PolarHBondContact O-N 3.17Å; H366-V376 HydrophobicContact CB-CG2 4.39Å; H366-V391 HydrophobicContact CB-CG1 3.65Å
367	V	59.2	Low	58	Low	3 Å²	3	62.7 Å²	62.7	2%	0.018	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-114.1	141.1	173.6	164.5	0	0	0	0	109.2	R364 D365 L369 K375 R387 V391	R364-V367 WeakPolarHBondContact O-CB 3.34Å; R364-V367 PolarHBondContact O-N 3.45Å; D365-V367 PolarHBondContact O-N 3.03Å; V367-L369 PolarHBondContact O-N 3.23Å; V367-K375 VanDerWaalsContact O-CE 3.24Å; V367-K375 WeakPolarHBondContact O-CE 3.41Å; V367-K375 PolarHBondContact O-NZ 3.36Å; V367-R387 HydrophobicContact CG2-CG 3.93Å; V367-V391 HydrophobicContact CG2-CG2 3.88Å
368	D	58.4	Low	58.2	Low	60 Å²	60	64.9 Å²	64.9	32%	0.321	33%	0.328	S	S	.	.			trans	-81.2	115.3	166	-76.2	-51.9	0	0	0	110.1	L370 T371 G372 N373 K375	D368-L370 PolarHBondContact O-N 3.46Å; D368-T371 WeakPolarHBondContact CB-OG1 3.25Å; D368-G372 VanDerWaalsContact O-CA 3.26Å; D368-G372 WeakPolarHBondContact O-CA 3.34Å; D368-G372 PolarHBondContact O-N 3.03Å; D368-N373 PolarHBondContact N-O 3.34Å; D368-K375 WeakPolarHBondContact OD1-CE 3.04Å; D368-K375 VanDerWaalsContact OD2-CG 3.3Å; D368-K375 WeakPolarHBondContact OD2-CG 3.37Å
369	L	58.3	Low	57.6	Low	144 Å²	144	63.8 Å²	63.8	75%	0.754	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	-178.4	-64.3	172.4	0	0	0	112.8	V367	V367-L369 PolarHBondContact O-N 3.23Å
370	L	53.9	Low	57.2	Low	176 Å²	176	69.5 Å²	69.5	92%	0.921	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-45.3	-179.6	-64.5	173.1	0	0	0	113	D368	D368-L370 PolarHBondContact O-N 3.46Å
371	T	59.1	Low	56.8	Low	79 Å²	79	67.6 Å²	67.6	49%	0.485	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-22.3	-179.1	57.5	0	0	0	0	113.1	D368 N373	D368-T371 WeakPolarHBondContact CB-OG1 3.25Å; T371-N373 VanDerWaalsContact C-N 3.33Å; T371-N373 PolarHBondContact O-OD1 3.22Å; T371-N373 PolarHBondContact OG1-N 3.29Å
372	G	58.3	Low	56	Low	12 Å²	12	71.7 Å²	71.7	12%	0.124	36%	0.364	C	S	.	.			trans	78.7	13.2	-173.4	0	0	0	0	0	114.5	D368 R387	D368-G372 VanDerWaalsContact O-CA 3.26Å; D368-G372 WeakPolarHBondContact O-CA 3.34Å; D368-G372 PolarHBondContact O-N 3.03Å; G372-R387 WeakPolarHBondContact O-CD 3.21Å; G372-R387 PolarHBondContact O-NH1 2.78Å
373	N	55.4	Low	55.4	Low	35 Å²	35	74.5 Å²	74.5	19%	0.187	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-89.2	166.8	-177.5	-64.1	-0.1	0	0	0	112.6	D368 T371 E378 T379 H380	D368-N373 PolarHBondContact N-O 3.34Å; T371-N373 VanDerWaalsContact C-N 3.33Å; T371-N373 PolarHBondContact O-OD1 3.22Å; T371-N373 PolarHBondContact OG1-N 3.29Å; N373-E378 PolarHBondContact ND2-O 3.43Å; N373-T379 WeakPolarHBondContact CA-O 3.41Å; N373-H380 VanDerWaalsContact OD1-CA 3.32Å; N373-H380 WeakPolarHBondContact OD1-CA 3.43Å; N373-H380 VanDerWaalsContact OD1-CB 3.24Å; N373-H380 WeakPolarHBondContact OD1-CB 3.48Å; N373-H380 PolarHBondContact OD1-CD2 3.43Å; N373-H380 VanDerWaalsContact OD1-CD2 3.31Å
374	C	54.5	Low	54.9	Low	0 Å²	0	82.3 Å²	82.3	0%	0	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-83.3	124.2	166.3	174.1	0	0	0	0	110.6	V376 C377 E378 T379 F381 V391	C374-V376 PolarHBondContact O-N 3.07Å; C374-V376 PolarHBondContact SG-N 3.16Å; C374-V376 VanDerWaalsContact SG-N 3.44Å; C374-C377 PolarHBondContact O-N 3.07Å; C374-C377 VanDerWaalsContact SG-SG 3.64Å; C374-E378 WeakPolarHBondContact O-CA 3.29Å; C374-E378 PolarHBondContact O-N 3.49Å; C374-T379 PolarHBondContact N-O 2.85Å; C374-T379 VanDerWaalsContact N-O 3.08Å; C374-F381 HydrophobicContact CB-CE2 4.35Å; C374-V391 HydrophobicContact CB-CG2 4.06Å
375	K	58.6	Low	54.2	Low	104 Å²	104	83 Å²	83	45%	0.452	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10	179	-73.9	172.8	173.4	153.1	0	115	D365 H366 V367 D368	D365-K375 WeakPolarHBondContact O-CD 3.38Å; D365-K375 PolarHBondContact O-NZ 2.98Å; H366-K375 WeakPolarHBondContact O-CB 3.5Å; H366-K375 PolarHBondContact O-N 3.17Å; V367-K375 VanDerWaalsContact O-CE 3.24Å; V367-K375 WeakPolarHBondContact O-CE 3.41Å; V367-K375 PolarHBondContact O-NZ 3.36Å; D368-K375 WeakPolarHBondContact OD1-CE 3.04Å; D368-K375 VanDerWaalsContact OD2-CG 3.3Å; D368-K375 WeakPolarHBondContact OD2-CG 3.37Å
376	V	58.5	Low	53.6	Low	56 Å²	56	81.3 Å²	81.3	34%	0.339	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-19.4	-172.5	-163.4	0	0	0	0	112.4	V347 H366 C374 H394	V347-V376 HydrophobicContact CG1-CG1 4.34Å; V347-V376 HydrophobicContact CG1-CG2 3.9Å; V347-V376 HydrophobicContact CG2-CG1 4.16Å; V347-V376 HydrophobicContact CG2-CG2 4.11Å; H366-V376 HydrophobicContact CB-CG2 4.39Å; C374-V376 PolarHBondContact O-N 3.07Å; C374-V376 PolarHBondContact SG-N 3.16Å; C374-V376 VanDerWaalsContact SG-N 3.44Å; V376-H394 HydrophobicContact CB-CB 4.29Å; V376-H394 HydrophobicContact CG1-CB 4.04Å; V376-H394 HydrophobicContact CG2-CB 4.44Å
377	C	51.8	Low	53.4	Low	50 Å²	50	81.9 Å²	81.9	34%	0.338	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	12.6	-178.4	64	0	0	0	0	114	C374 T379 H390 H394	C374-C377 PolarHBondContact O-N 3.07Å; C374-C377 VanDerWaalsContact SG-SG 3.64Å; C377-T379 PolarHBondContact O-N 2.79Å; C377-T379 PolarHBondContact SG-OG1 3.38Å; C377-H390 PolarHBondContact SG-NE2 2.84Å; C377-H394 PolarHBondContact SG-NE2 3.26Å
378	E	56.8	Low	53.1	Low	162 Å²	162	83 Å²	83	76%	0.757	42%	0.423	S	S	*	.			trans	57.7	-1.6	176	-58.4	-175.4	-173.8	0	0	117.1	N373 C374 H380	N373-E378 PolarHBondContact ND2-O 3.43Å; C374-E378 WeakPolarHBondContact O-CA 3.29Å; C374-E378 PolarHBondContact O-N 3.49Å; E378-H380 PolarHBondContact O-N 2.69Å
379	T	44.3	Very low	52.8	Low	50 Å²	50	84.7 Å²	84.7	31%	0.307	44%	0.436	S	S	.	.			trans	-58.2	129.4	-179.7	51.6	0	0	0	0	112.6	N373 C374 C377 F381 H390	N373-T379 WeakPolarHBondContact CA-O 3.41Å; C374-T379 PolarHBondContact N-O 2.85Å; C374-T379 VanDerWaalsContact N-O 3.08Å; C377-T379 PolarHBondContact O-N 2.79Å; C377-T379 PolarHBondContact SG-OG1 3.38Å; T379-F381 WeakPolarHBondContact O-CD2 3.5Å; T379-F381 WeakPolarHBondContact O-CE2 3.45Å; T379-F381 WeakPolarHBondContact OG1-CE2 3.39Å; T379-F381 WeakPolarHBondContact OG1-CZ 3.42Å; T379-H390 PolarHBondContact OG1-NE2 3.45Å
380	H	46.9	Very low	52.5	Low	121 Å²	121	80.3 Å²	80.3	56%	0.56	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-89.6	125.7	-178.1	170.5	-81.4	0	0	0	111.6	N373 E378	N373-H380 VanDerWaalsContact OD1-CA 3.32Å; N373-H380 WeakPolarHBondContact OD1-CA 3.43Å; N373-H380 VanDerWaalsContact OD1-CB 3.24Å; N373-H380 WeakPolarHBondContact OD1-CB 3.48Å; N373-H380 PolarHBondContact OD1-CD2 3.43Å; N373-H380 VanDerWaalsContact OD1-CD2 3.31Å; E378-H380 PolarHBondContact O-N 2.69Å
381	F	50.2	Low	52.3	Low	46 Å²	46	71.9 Å²	71.9	20%	0.202	37%	0.367	C	S	.	.			trans	-117.6	123.9	179	-64.3	-84.1	0	0	0	111.9	C374 T379 D383 R387 H390	C374-F381 HydrophobicContact CB-CE2 4.35Å; T379-F381 WeakPolarHBondContact O-CD2 3.5Å; T379-F381 WeakPolarHBondContact O-CE2 3.45Å; T379-F381 WeakPolarHBondContact OG1-CE2 3.39Å; T379-F381 WeakPolarHBondContact OG1-CZ 3.42Å; F381-D383 VanDerWaalsContact C-N 3.3Å; F381-D383 PolarHBondContact O-N 3.41Å; F381-R387 HydrophobicContact CB-CB 3.76Å; F381-R387 HydrophobicContact CB-CG 4.24Å; F381-R387 HydrophobicContact CD2-CB 3.98Å; F381-R387 HydrophobicContact CD2-CG 3.77Å; F381-R387 HydrophobicContact CG-CB 3.94Å; F381-R387 HydrophobicContact CG-CG 4.24Å; F381-H390 HydrophobicContact CE1-CB 4.15Å; F381-H390 HydrophobicContact CE2-CB 4.13Å; F381-H390 AromaticContact CE2-CD2 3.44Å; F381-H390 VanDerWaalsContact CE2-CD2 3.44Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.38Å; F381-H390 AromaticContact CE2-CG 3.83Å; F381-H390 HydrophobicContact CZ-CB 3.68Å; F381-H390 AromaticContact CZ-CD2 3.33Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.39Å; F381-H390 AromaticContact CZ-CG 3.32Å; F381-H390 AromaticContact CZ-ND1 3.81Å; F381-H390 AromaticContact CZ-NE2 3.83Å
382	Q	45.3	Very low	51.9	Low	191 Å²	191	69.1 Å²	69.1	89%	0.893	35%	0.349	S	S	*	.	S	Bend	trans	-69.1	-26.9	173.7	-66	179.4	-1.5	0	0	112.8
383	D	48.2	Very low	51.7	Low	72 Å²	72	71.2 Å²	71.2	39%	0.385	36%	0.362	S	S	.	.	S	Bend	trans	-107.1	132.3	176.9	168.1	40.3	0	0	0	111.9	F381 N385 S386 R387	F381-D383 VanDerWaalsContact C-N 3.3Å; F381-D383 PolarHBondContact O-N 3.41Å; D383-N385 PolarHBondContact OD1-N 3.25Å; D383-N385 PolarHBondContact OD2-N 2.99Å; D383-S386 VanDerWaalsContact OD2-CB 3.27Å; D383-S386 WeakPolarHBondContact OD2-CB 3.35Å; D383-S386 PolarHBondContact OD2-N 3.11Å; D383-S386 PolarHBondContact OD2-OG 3.03Å; D383-R387 WeakPolarHBondContact O-CB 3.49Å; D383-R387 PolarHBondContact O-N 2.93Å; D383-R387 VanDerWaalsContact O-N 3.17Å
384	R	48.4	Very low	51.2	Low	164 Å²	164	72.4 Å²	72.4	62%	0.619	37%	0.366	S	S	*	.	H	α-helix	trans	-66.1	-34.1	178.6	-172.5	178.4	-174.3	172.7	2.9	112.5	V388	R384-V388 WeakPolarHBondContact O-CG2 3.34Å; R384-V388 PolarHBondContact O-N 2.92Å
385	N	49	Very low	51.1	Low	108 Å²	108	72.4 Å²	72.4	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-75.2	-49.9	-177.8	-73.5	7.4	0	0	0	110.7	D383 R387 V388 T389	D383-N385 PolarHBondContact OD1-N 3.25Å; D383-N385 PolarHBondContact OD2-N 2.99Å; N385-R387 PolarHBondContact O-N 3.03Å; N385-V388 PolarHBondContact O-N 3.1Å; N385-T389 PolarHBondContact O-N 3.25Å; N385-T389 PolarHBondContact O-OG1 3.14Å
386	S	51.7	Low	50.4	Low	55 Å²	55	69 Å²	69	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-50.6	-41.7	172.7	-60.8	0	0	0	0	111.9	D383 T389 H390	D383-S386 VanDerWaalsContact OD2-CB 3.27Å; D383-S386 WeakPolarHBondContact OD2-CB 3.35Å; D383-S386 PolarHBondContact OD2-N 3.11Å; D383-S386 PolarHBondContact OD2-OG 3.03Å; S386-T389 WeakPolarHBondContact CA-OG1 3.14Å; S386-T389 PolarHBondContact O-N 2.92Å; S386-T389 PolarHBondContact O-OG1 3.4Å; S386-H390 WeakPolarHBondContact O-CB 3.46Å; S386-H390 PolarHBondContact O-N 3.43Å
387	R	55.2	Low	49.9	Very low	32 Å²	32	66.5 Å²	66.5	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-48.2	174.6	-171.2	165.1	67.6	-140.9	8.5	113.3	V367 G372 F381 D383 N385 T389 H390 V391	V367-R387 HydrophobicContact CG2-CG 3.93Å; G372-R387 WeakPolarHBondContact O-CD 3.21Å; G372-R387 PolarHBondContact O-NH1 2.78Å; F381-R387 HydrophobicContact CB-CB 3.76Å; F381-R387 HydrophobicContact CB-CG 4.24Å; F381-R387 HydrophobicContact CD2-CB 3.98Å; F381-R387 HydrophobicContact CD2-CG 3.77Å; F381-R387 HydrophobicContact CG-CB 3.94Å; F381-R387 HydrophobicContact CG-CG 4.24Å; D383-R387 WeakPolarHBondContact O-CB 3.49Å; D383-R387 PolarHBondContact O-N 2.93Å; D383-R387 VanDerWaalsContact O-N 3.17Å; N385-R387 PolarHBondContact O-N 3.03Å; R387-T389 PolarHBondContact O-N 3.35Å; R387-H390 PolarHBondContact O-N 3.19Å; R387-V391 HydrophobicContact CG-CG2 4.36Å; R387-V391 WeakPolarHBondContact O-CB 3.49Å; R387-V391 VanDerWaalsContact O-CG2 3.25Å; R387-V391 WeakPolarHBondContact O-CG2 3.46Å; R387-V391 PolarHBondContact O-N 2.92Å
388	V	53	Low	49.6	Very low	26 Å²	26	68 Å²	68	16%	0.158	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-40.6	179.4	175.2	0	0	0	0	110.7	A363 R364 R384 N385 H390 V391 L392	A363-V388 HydrophobicContact CB-CG1 4.24Å; R364-V388 HydrophobicContact CG-CG2 4.33Å; R384-V388 WeakPolarHBondContact O-CG2 3.34Å; R384-V388 PolarHBondContact O-N 2.92Å; N385-V388 PolarHBondContact O-N 3.1Å; V388-H390 VanDerWaalsContact C-N 3.32Å; V388-H390 PolarHBondContact O-N 3.24Å; V388-V391 PolarHBondContact O-N 3.48Å; V388-L392 HydrophobicContact CG1-CD1 4.07Å; V388-L392 HydrophobicContact CG1-CG 4.45Å; V388-L392 WeakPolarHBondContact O-CB 3.43Å; V388-L392 VanDerWaalsContact O-CG 3.26Å; V388-L392 WeakPolarHBondContact O-CG 3.49Å; V388-L392 PolarHBondContact O-N 3.18Å
389	T	52.3	Low	49	Very low	95 Å²	95	62.9 Å²	62.9	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-64.5	-34.8	174.9	46.8	0	0	0	0	113	N385 S386 R387	N385-T389 PolarHBondContact O-N 3.25Å; N385-T389 PolarHBondContact O-OG1 3.14Å; S386-T389 WeakPolarHBondContact CA-OG1 3.14Å; S386-T389 PolarHBondContact O-N 2.92Å; S386-T389 PolarHBondContact O-OG1 3.4Å; R387-T389 PolarHBondContact O-N 3.35Å
390	H	51.8	Low	49.1	Very low	52 Å²	52	63.5 Å²	63.5	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-69.3	-46.4	174.4	179.9	76.9	0	0	0	112	C377 T379 F381 S386 R387 V388 L392 S393 H394	C377-H390 PolarHBondContact SG-NE2 2.84Å; T379-H390 PolarHBondContact OG1-NE2 3.45Å; F381-H390 HydrophobicContact CE1-CB 4.15Å; F381-H390 HydrophobicContact CE2-CB 4.13Å; F381-H390 AromaticContact CE2-CD2 3.44Å; F381-H390 VanDerWaalsContact CE2-CD2 3.44Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.38Å; F381-H390 AromaticContact CE2-CG 3.83Å; F381-H390 HydrophobicContact CZ-CB 3.68Å; F381-H390 AromaticContact CZ-CD2 3.33Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.39Å; F381-H390 AromaticContact CZ-CG 3.32Å; F381-H390 AromaticContact CZ-ND1 3.81Å; F381-H390 AromaticContact CZ-NE2 3.83Å; S386-H390 WeakPolarHBondContact O-CB 3.46Å; S386-H390 PolarHBondContact O-N 3.43Å; R387-H390 PolarHBondContact O-N 3.19Å; V388-H390 VanDerWaalsContact C-N 3.32Å; V388-H390 PolarHBondContact O-N 3.24Å; H390-L392 VanDerWaalsContact C-N 3.28Å; H390-L392 PolarHBondContact O-N 3.29Å; H390-S393 WeakPolarHBondContact O-CB 3.32Å; H390-S393 PolarHBondContact O-N 3.43Å; H390-S393 PolarHBondContact O-OG 3.37Å; H390-H394 AromaticContact CD2-CD2 3.87Å; H390-H394 AromaticContact CD2-NE2 3.61Å; H390-H394 AromaticContact CE1-NE2 3.48Å; H390-H394 PolarHBondContact CE1-NE2 2.76Å; H390-H394 AromaticContact NE2-CD2 3.66Å; H390-H394 AromaticContact NE2-NE2 2.92Å; H390-H394 PolarHBondContact NE2-NE2 3.11Å; H390-H394 PolarHBondContact O-CD2 3Å
391	V	48.9	Very low	48.6	Very low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-36.4	178.3	173.3	0	0	0	0	111.6	A363 H366 V367 C374 R387 V388 S393 H394 I395	A363-V391 HydrophobicContact CB-CG1 4.18Å; A363-V391 WeakPolarHBondContact O-CG1 3.36Å; H366-V391 HydrophobicContact CB-CG1 3.65Å; V367-V391 HydrophobicContact CG2-CG2 3.88Å; C374-V391 HydrophobicContact CB-CG2 4.06Å; R387-V391 HydrophobicContact CG-CG2 4.36Å; R387-V391 WeakPolarHBondContact O-CB 3.49Å; R387-V391 VanDerWaalsContact O-CG2 3.25Å; R387-V391 WeakPolarHBondContact O-CG2 3.46Å; R387-V391 PolarHBondContact O-N 2.92Å; V388-V391 PolarHBondContact O-N 3.48Å; V391-S393 PolarHBondContact O-N 3.44Å; V391-H394 PolarHBondContact O-N 3.48Å; V391-H394 VanDerWaalsContact O-N 3.15Å; V391-I395 HydrophobicContact CG1-CD1 3.79Å; V391-I395 HydrophobicContact CG1-CG1 4.4Å; V391-I395 WeakPolarHBondContact O-CG1 3.48Å; V391-I395 PolarHBondContact O-N 3.32Å; V391-I395 VanDerWaalsContact O-N 3.11Å
392	L	52.1	Low	48.2	Very low	20 Å²	20	58.5 Å²	58.5	11%	0.105	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-28.5	173.3	-74.5	168.5	0	0	0	113.4	I359 R360 A363 V388 H390 I395 G396	I359-L392 HydrophobicContact CG2-CD2 3.68Å; R360-L392 HydrophobicContact CG-CD1 4.31Å; A363-L392 HydrophobicContact CB-CD2 3.74Å; A363-L392 HydrophobicContact CB-CG 3.96Å; V388-L392 HydrophobicContact CG1-CD1 4.07Å; V388-L392 HydrophobicContact CG1-CG 4.45Å; V388-L392 WeakPolarHBondContact O-CB 3.43Å; V388-L392 VanDerWaalsContact O-CG 3.26Å; V388-L392 WeakPolarHBondContact O-CG 3.49Å; V388-L392 PolarHBondContact O-N 3.18Å; H390-L392 VanDerWaalsContact C-N 3.28Å; H390-L392 PolarHBondContact O-N 3.29Å; L392-I395 PolarHBondContact O-N 3.48Å; L392-G396 PolarHBondContact O-N 3.49Å
393	S	52.3	Low	47.9	Very low	57 Å²	57	55.4 Å²	55.4	40%	0.399	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-33.8	175	77	0	0	0	0	112.9	H390 V391	H390-S393 WeakPolarHBondContact O-CB 3.32Å; H390-S393 PolarHBondContact O-N 3.43Å; H390-S393 PolarHBondContact O-OG 3.37Å; V391-S393 PolarHBondContact O-N 3.44Å
394	H	45.8	Very low	47.3	Very low	59 Å²	59	59.6 Å²	59.6	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-73.9	-30.9	172.8	-66.3	-70.1	0	0	0	112.9	V347 V376 C377 H390 V391 G396	V347-H394 HydrophobicContact CG2-CB 4.39Å; V376-H394 HydrophobicContact CB-CB 4.29Å; V376-H394 HydrophobicContact CG1-CB 4.04Å; V376-H394 HydrophobicContact CG2-CB 4.44Å; C377-H394 PolarHBondContact SG-NE2 3.26Å; H390-H394 AromaticContact CD2-CD2 3.87Å; H390-H394 AromaticContact CD2-NE2 3.61Å; H390-H394 AromaticContact CE1-NE2 3.48Å; H390-H394 PolarHBondContact CE1-NE2 2.76Å; H390-H394 AromaticContact NE2-CD2 3.66Å; H390-H394 AromaticContact NE2-NE2 2.92Å; H390-H394 PolarHBondContact NE2-NE2 3.11Å; H390-H394 PolarHBondContact O-CD2 3Å; V391-H394 PolarHBondContact O-N 3.48Å; V391-H394 VanDerWaalsContact O-N 3.15Å; H394-G396 PolarHBondContact O-N 3.02Å
395	I	51.5	Low	47	Very low	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-70	-19.5	-179.2	-73.9	172.3	0	0	0	112.2	C345 Q346 V347 A363 V391 L392 I397	C345-I395 HydrophobicContact CB-CG2 4.37Å; Q346-I395 WeakPolarHBondContact CB-O 3.41Å; Q346-I395 PolarHBondContact N-O 3.29Å; Q346-I395 VanDerWaalsContact N-O 3.1Å; V347-I395 HydrophobicContact CG2-CG1 4.26Å; A363-I395 HydrophobicContact CB-CD1 3.72Å; V391-I395 HydrophobicContact CG1-CD1 3.79Å; V391-I395 HydrophobicContact CG1-CG1 4.4Å; V391-I395 WeakPolarHBondContact O-CG1 3.48Å; V391-I395 PolarHBondContact O-N 3.32Å; V391-I395 VanDerWaalsContact O-N 3.11Å; L392-I395 PolarHBondContact O-N 3.48Å; I395-I397 HydrophobicContact CG2-CB 4.09Å; I395-I397 HydrophobicContact CG2-CD1 3.62Å; I395-I397 HydrophobicContact CG2-CG1 3.73Å; I395-I397 PolarHBondContact O-N 3.45Å
396	G	45.4	Very low	46.5	Very low	31 Å²	31	57.5 Å²	57.5	32%	0.32	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	4.2	172.7	0	0	0	0	0	115.2	L392 H394 F398	L392-G396 PolarHBondContact O-N 3.49Å; H394-G396 PolarHBondContact O-N 3.02Å; G396-F398 VanDerWaalsContact O-CD2 3.24Å; G396-F398 WeakPolarHBondContact O-CD2 3.14Å; G396-F398 PolarHBondContact O-N 3.23Å
397	I	46.3	Very low	45.8	Very low	4 Å²	4	57.5 Å²	57.5	2%	0.021	31%	0.313	C	S	.	.			trans	-85.2	95.6	-178.4	-67.1	177.5	0	0	0	109.1	M343 L352 I359 I395 L399	M343-I397 HydrophobicContact CB-CD1 3.93Å; M343-I397 HydrophobicContact CB-CG1 4.11Å; M343-I397 HydrophobicContact CB-CG2 4.31Å; M343-I397 HydrophobicContact CE-CB 4.33Å; M343-I397 HydrophobicContact CE-CG1 4.48Å; M343-I397 HydrophobicContact CE-CG2 3.78Å; M343-I397 HydrophobicContact CG-CG2 4.48Å; L352-I397 HydrophobicContact CD1-CD1 3.94Å; I359-I397 HydrophobicContact CD1-CG2 3.97Å; I359-I397 HydrophobicContact CG2-CB 4.5Å; I359-I397 HydrophobicContact CG2-CD1 4.39Å; I359-I397 HydrophobicContact CG2-CG2 4.04Å; I395-I397 HydrophobicContact CG2-CB 4.09Å; I395-I397 HydrophobicContact CG2-CD1 3.62Å; I395-I397 HydrophobicContact CG2-CG1 3.73Å; I395-I397 PolarHBondContact O-N 3.45Å; I397-L399 HydrophobicContact CG2-CD2 4.05Å
398	F	45.5	Very low	45.1	Very low	82 Å²	82	62.3 Å²	62.3	36%	0.36	34%	0.335	S	S	.	.			trans	-70.8	128.8	168.3	-55.5	-94.4	0	0	0	109.5	M343 G396 K408 F410	M343-F398 WeakPolarHBondContact CE-O 3.48Å; G396-F398 VanDerWaalsContact O-CD2 3.24Å; G396-F398 WeakPolarHBondContact O-CD2 3.14Å; G396-F398 PolarHBondContact O-N 3.23Å; F398-K408 HydrophobicContact CB-CB 3.59Å; F398-K408 HydrophobicContact CD1-CB 3.94Å; F398-K408 VanDerWaalsContact CD1-O 3.31Å; F398-K408 WeakPolarHBondContact CD1-O 3.28Å; F398-K408 HydrophobicContact CD2-CB 4.3Å; F398-K408 HydrophobicContact CG-CB 3.7Å; F398-F410 HydrophobicContact CD1-CD1 4.16Å; F398-F410 HydrophobicContact CD1-CD2 4.16Å; F398-F410 AromaticContact CD1-CE1 3.83Å; F398-F410 HydrophobicContact CD1-CE1 3.83Å; F398-F410 AromaticContact CD1-CE2 3.83Å; F398-F410 HydrophobicContact CD1-CE2 3.83Å; F398-F410 HydrophobicContact CD1-CG 4.33Å; F398-F410 AromaticContact CD1-CZ 3.65Å; F398-F410 HydrophobicContact CD1-CZ 3.65Å; F398-F410 HydrophobicContact CE1-CD2 4.17Å; F398-F410 AromaticContact CE1-CE1 3.97Å; F398-F410 HydrophobicContact CE1-CE1 3.97Å; F398-F410 AromaticContact CE1-CE2 3.43Å; F398-F410 HydrophobicContact CE1-CE2 3.43Å; F398-F410 VanDerWaalsContact CE1-CE2 3.43Å; F398-F410 AromaticContact CE1-CZ 3.32Å; F398-F410 HydrophobicContact CE1-CZ 3.32Å; F398-F410 HydrophobicContact CE2-CZ 4.37Å; F398-F410 HydrophobicContact CG-CE1 4.16Å; F398-F410 HydrophobicContact CG-CZ 4.33Å; F398-F410 HydrophobicContact CZ-CE1 4.4Å; F398-F410 HydrophobicContact CZ-CE2 4.19Å; F398-F410 AromaticContact CZ-CZ 3.72Å; F398-F410 HydrophobicContact CZ-CZ 3.72Å
399	L	45.6	Very low	44.8	Very low	54 Å²	54	62.9 Å²	62.9	28%	0.283	34%	0.335	S	S	.	.			trans	-99.6	-15.4	-172.2	-69.1	170.2	0	0	0	113.8	I356 I359 I397 F409	I356-L399 HydrophobicContact CD1-CD1 3.97Å; I356-L399 HydrophobicContact CG1-CD1 4Å; I359-L399 HydrophobicContact CD1-CD2 3.87Å; I397-L399 HydrophobicContact CG2-CD2 4.05Å; L399-F409 PolarHBondContact N-O 3.04Å; L399-F409 VanDerWaalsContact N-O 3.09Å
400	F	45.2	Very low	44.3	Very low	64 Å²	64	61.6 Å²	61.6	28%	0.281	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.8	-173.7	-55.4	-84.2	0	0	0	110.5	F409 Q412 L415	F400-F409 PolarHBondContact N-O 3.46Å; F400-F409 VanDerWaalsContact N-O 3.12Å; F400-F409 PolarHBondContact O-N 3.17Å; F400-Q412 HydrophobicContact CD1-CB 4.39Å; F400-Q412 HydrophobicContact CE1-CB 4.18Å; F400-Q412 HydrophobicContact CZ-CB 4.26Å; F400-L415 HydrophobicContact CB-CB 4.49Å; F400-L415 HydrophobicContact CB-CD2 3.85Å
401	S	37	Very low	43.8	Very low	59 Å²	59	61.9 Å²	61.9	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	152.7	174.8	46.5	0	0	0	0	112.1	T407 L415 R419	S401-T407 CarbonylContact C-O 3.56Å; S401-T407 WeakPolarHBondContact CA-O 3.43Å; S401-L415 VanDerWaalsContact O-CD2 3.26Å; S401-L415 WeakPolarHBondContact O-CD2 3.37Å; S401-R419 PolarHBondContact O-NH2 3.49Å
402	C	42.1	Very low	43.2	Very low	3 Å²	3	66.7 Å²	66.7	2%	0.02	35%	0.349	C	S	.	.			trans	-88.5	108.5	168.5	-166.8	0	0	0	0	110.8	M404 C405 E406 T407 F409 L415	C402-M404 PolarHBondContact O-N 3.32Å; C402-C405 VanDerWaalsContact CB-SG 3.57Å; C402-C405 PolarHBondContact O-N 3.39Å; C402-C405 VanDerWaalsContact O-N 3.08Å; C402-C405 PolarHBondContact SG-SG 3.13Å; C402-E406 WeakPolarHBondContact O-CA 3.4Å; C402-E406 PolarHBondContact O-N 3.14Å; C402-T407 WeakPolarHBondContact CB-OG1 3.4Å; C402-T407 PolarHBondContact N-O 2.8Å; C402-F409 HydrophobicContact CB-CE2 4.2Å; C402-L415 HydrophobicContact CB-CD1 3.54Å
403	D	39.5	Very low	42.6	Very low	125 Å²	125	73.9 Å²	73.9	67%	0.668	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.2	179.9	-35.3	-42.6	0	0	0	113.5	R419	D403-R419 VanDerWaalsContact CG-NH2 3.31Å; D403-R419 IonicContact OD1-NH2 3.76Å; D403-R419 IonicContact OD2-CZ 3.76Å; D403-R419 VanDerWaalsContact OD2-CZ 3.31Å; D403-R419 IonicContact OD2-NH1 3.11Å; D403-R419 PolarHBondContact OD2-NH1 3.06Å; D403-R419 VanDerWaalsContact OD2-NH1 3.1Å; D403-R419 IonicContact OD2-NH2 3.64Å; D403-R419 PolarHBondContact OD2-NH2 3.13Å
404	M	34.8	Very low	42.1	Very low	160 Å²	160	75 Å²	75	79%	0.788	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-15.9	-178.2	-135.8	110.6	73.4	0	0	114.4	C402	C402-M404 PolarHBondContact O-N 3.32Å
405	C	41.1	Very low	42.1	Very low	62 Å²	62	72.4 Å²	72.4	42%	0.419	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.1	11.2	-172.2	58.6	0	0	0	0	115	C402 T407 H418	C402-C405 VanDerWaalsContact CB-SG 3.57Å; C402-C405 PolarHBondContact O-N 3.39Å; C402-C405 VanDerWaalsContact O-N 3.08Å; C402-C405 PolarHBondContact SG-SG 3.13Å; C405-T407 PolarHBondContact O-N 3.36Å; C405-T407 PolarHBondContact SG-OG1 2.86Å; C405-H418 PolarHBondContact SG-NE2 3.37Å
406	E	38.7	Very low	41.6	Very low	166 Å²	166	75.3 Å²	75.3	78%	0.776	38%	0.38	S	S	*	.			trans	59.3	1	175	-57.2	-176.9	-177.9	0	0	117	C402 K408	C402-E406 WeakPolarHBondContact O-CA 3.4Å; C402-E406 PolarHBondContact O-N 3.14Å; E406-K408 WeakPolarHBondContact O-CG 3.44Å; E406-K408 PolarHBondContact O-N 2.81Å
407	T	37	Very low	41.6	Very low	55 Å²	55	76.1 Å²	76.1	34%	0.337	38%	0.377	S	S	.	.			trans	-59.5	134.5	175	53.5	0	0	0	0	111.1	S401 C402 C405 F409 H418	S401-T407 CarbonylContact C-O 3.56Å; S401-T407 WeakPolarHBondContact CA-O 3.43Å; C402-T407 WeakPolarHBondContact CB-OG1 3.4Å; C402-T407 PolarHBondContact N-O 2.8Å; C405-T407 PolarHBondContact O-N 3.36Å; C405-T407 PolarHBondContact SG-OG1 2.86Å; T407-F409 WeakPolarHBondContact O-CE2 3.34Å; T407-F409 VanDerWaalsContact OG1-CE2 3.24Å; T407-F409 WeakPolarHBondContact OG1-CE2 3.32Å; T407-F409 WeakPolarHBondContact OG1-CZ 3.43Å; T407-H418 PolarHBondContact OG1-CD2 3.05Å; T407-H418 VanDerWaalsContact OG1-CD2 3.28Å; T407-H418 PolarHBondContact OG1-NE2 2.94Å
408	K	42.2	Very low	41.6	Very low	133 Å²	133	79 Å²	79	58%	0.578	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.6	-172.5	-52.2	-167.7	-179.9	-172.5	0	111.3	F398 E406	F398-K408 HydrophobicContact CB-CB 3.59Å; F398-K408 HydrophobicContact CD1-CB 3.94Å; F398-K408 VanDerWaalsContact CD1-O 3.31Å; F398-K408 WeakPolarHBondContact CD1-O 3.28Å; F398-K408 HydrophobicContact CD2-CB 4.3Å; F398-K408 HydrophobicContact CG-CB 3.7Å; E406-K408 WeakPolarHBondContact O-CG 3.44Å; E406-K408 PolarHBondContact O-N 2.81Å
409	F	46.5	Very low	41.6	Very low	38 Å²	38	80.3 Å²	80.3	17%	0.167	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.2	-172	-59.5	-80.3	0	0	0	111.7	L399 F400 C402 T407 Q414 L415 H418	L399-F409 PolarHBondContact N-O 3.04Å; L399-F409 VanDerWaalsContact N-O 3.09Å; F400-F409 PolarHBondContact N-O 3.46Å; F400-F409 VanDerWaalsContact N-O 3.12Å; F400-F409 PolarHBondContact O-N 3.17Å; C402-F409 HydrophobicContact CB-CE2 4.2Å; T407-F409 WeakPolarHBondContact O-CE2 3.34Å; T407-F409 VanDerWaalsContact OG1-CE2 3.24Å; T407-F409 WeakPolarHBondContact OG1-CE2 3.32Å; T407-F409 WeakPolarHBondContact OG1-CZ 3.43Å; F409-Q414 HydrophobicContact CB-CB 4.13Å; F409-Q414 HydrophobicContact CD1-CB 3.81Å; F409-Q414 HydrophobicContact CG-CB 4.22Å; F409-L415 HydrophobicContact CB-CB 4.45Å; F409-L415 HydrophobicContact CD2-CB 4.03Å; F409-L415 HydrophobicContact CD2-CD1 3.88Å; F409-L415 HydrophobicContact CE2-CD1 4Å; F409-L415 HydrophobicContact CG-CB 4.39Å; F409-H418 HydrophobicContact CE1-CB 4.19Å; F409-H418 HydrophobicContact CE2-CB 4.05Å; F409-H418 AromaticContact CE2-CD2 3.62Å; F409-H418 AromaticContact CE2-CG 3.96Å; F409-H418 HydrophobicContact CZ-CB 3.6Å; F409-H418 AromaticContact CZ-CD2 3.46Å; F409-H418 VanDerWaalsContact CZ-CD2 3.46Å; F409-H418 WeakPolarHBondContact CZ-CD2 3.09Å; F409-H418 AromaticContact CZ-CG 3.43Å; F409-H418 VanDerWaalsContact CZ-CG 3.43Å
410	F	40.7	Very low	41.5	Very low	68 Å²	68	85.1 Å²	85.1	30%	0.298	41%	0.407	S	S	.	.	S	Bend	trans	-85.3	-19.4	178.2	-61.4	-75.5	0	0	0	112.9	F398	F398-F410 HydrophobicContact CD1-CD1 4.16Å; F398-F410 HydrophobicContact CD1-CD2 4.16Å; F398-F410 AromaticContact CD1-CE1 3.83Å; F398-F410 HydrophobicContact CD1-CE1 3.83Å; F398-F410 AromaticContact CD1-CE2 3.83Å; F398-F410 HydrophobicContact CD1-CE2 3.83Å; F398-F410 HydrophobicContact CD1-CG 4.33Å; F398-F410 AromaticContact CD1-CZ 3.65Å; F398-F410 HydrophobicContact CD1-CZ 3.65Å; F398-F410 HydrophobicContact CE1-CD2 4.17Å; F398-F410 AromaticContact CE1-CE1 3.97Å; F398-F410 HydrophobicContact CE1-CE1 3.97Å; F398-F410 AromaticContact CE1-CE2 3.43Å; F398-F410 HydrophobicContact CE1-CE2 3.43Å; F398-F410 VanDerWaalsContact CE1-CE2 3.43Å; F398-F410 AromaticContact CE1-CZ 3.32Å; F398-F410 HydrophobicContact CE1-CZ 3.32Å; F398-F410 HydrophobicContact CE2-CZ 4.37Å; F398-F410 HydrophobicContact CG-CE1 4.16Å; F398-F410 HydrophobicContact CG-CZ 4.33Å; F398-F410 HydrophobicContact CZ-CE1 4.4Å; F398-F410 HydrophobicContact CZ-CE2 4.19Å; F398-F410 AromaticContact CZ-CZ 3.72Å; F398-F410 HydrophobicContact CZ-CZ 3.72Å
411	T	40.6	Very low	41.2	Very low	59 Å²	59	86.7 Å²	86.7	36%	0.362	42%	0.419	S	S	.	.	S	Bend	trans	-139.4	146.6	-176.9	63.2	0	0	0	0	112.6	W413 Q414 L415	T411-W413 PolarHBondContact O-N 3.36Å; T411-Q414 PolarHBondContact O-N 2.94Å; T411-Q414 VanDerWaalsContact O-N 3.14Å; T411-Q414 WeakPolarHBondContact OG1-CB 3.45Å; T411-Q414 VanDerWaalsContact OG1-CD 3.23Å; T411-Q414 VanDerWaalsContact OG1-CG 3.24Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.32Å; T411-Q414 PolarHBondContact OG1-N 3.21Å; T411-Q414 PolarHBondContact OG1-OE1 3.47Å; T411-L415 PolarHBondContact O-N 3.06Å
412	Q	37.6	Very low	41.4	Very low	100 Å²	100	86.3 Å²	86.3	47%	0.467	42%	0.424	S	S	.	.	H	α-helix	trans	-60.3	-27.8	174	-171	68.2	-12	0	0	112.5	F400 L415 T416	F400-Q412 HydrophobicContact CD1-CB 4.39Å; F400-Q412 HydrophobicContact CE1-CB 4.18Å; F400-Q412 HydrophobicContact CZ-CB 4.26Å; Q412-L415 PolarHBondContact O-N 3.05Å; Q412-T416 WeakPolarHBondContact O-CB 3.34Å; Q412-T416 WeakPolarHBondContact O-CG2 3.39Å; Q412-T416 PolarHBondContact O-N 3.01Å; Q412-T416 PolarHBondContact O-OG1 3.07Å
413	W	39.8	Very low	41	Very low	171 Å²	171	92.8 Å²	92.8	65%	0.648	46%	0.457	S	S	*	.	H	α-helix	trans	-66.1	-43.9	173.5	177.6	-109.3	0	0	0	112.6	T411 L415 T416 L417	T411-W413 PolarHBondContact O-N 3.36Å; W413-L415 VanDerWaalsContact C-N 3.34Å; W413-T416 WeakPolarHBondContact CA-OG1 3.34Å; W413-T416 PolarHBondContact O-N 3.49Å; W413-T416 PolarHBondContact O-OG1 2.67Å; W413-L417 HydrophobicContact CD2-CD1 4.42Å; W413-L417 HydrophobicContact CG-CD1 4.47Å; W413-L417 HydrophobicContact CZ2-CD1 4.26Å; W413-L417 WeakPolarHBondContact O-CB 3.31Å; W413-L417 PolarHBondContact O-N 2.73Å
414	Q	40.8	Very low	40.5	Very low	81 Å²	81	95.9 Å²	95.9	38%	0.379	47%	0.465	S	S	.	.	H	α-helix	trans	-65.2	-39	175.1	-73.3	162.8	-37.3	0	0	111.7	F409 T411 L417 H418	F409-Q414 HydrophobicContact CB-CB 4.13Å; F409-Q414 HydrophobicContact CD1-CB 3.81Å; F409-Q414 HydrophobicContact CG-CB 4.22Å; T411-Q414 PolarHBondContact O-N 2.94Å; T411-Q414 VanDerWaalsContact O-N 3.14Å; T411-Q414 WeakPolarHBondContact OG1-CB 3.45Å; T411-Q414 VanDerWaalsContact OG1-CD 3.23Å; T411-Q414 VanDerWaalsContact OG1-CG 3.24Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.32Å; T411-Q414 PolarHBondContact OG1-N 3.21Å; T411-Q414 PolarHBondContact OG1-OE1 3.47Å; Q414-L417 WeakPolarHBondContact O-CB 3.44Å; Q414-H418 WeakPolarHBondContact O-CB 3.49Å; Q414-H418 PolarHBondContact O-N 2.72Å
415	L	45.8	Very low	40.3	Very low	4 Å²	4	95 Å²	95	2%	0.021	46%	0.459	C	S	.	.	H	α-helix	trans	-65.8	-42.3	175.2	175.9	57	0	0	0	112.4	F400 S401 C402 F409 T411 Q412 W413 H418 R419	F400-L415 HydrophobicContact CB-CB 4.49Å; F400-L415 HydrophobicContact CB-CD2 3.85Å; S401-L415 VanDerWaalsContact O-CD2 3.26Å; S401-L415 WeakPolarHBondContact O-CD2 3.37Å; C402-L415 HydrophobicContact CB-CD1 3.54Å; F409-L415 HydrophobicContact CB-CB 4.45Å; F409-L415 HydrophobicContact CD2-CB 4.03Å; F409-L415 HydrophobicContact CD2-CD1 3.88Å; F409-L415 HydrophobicContact CE2-CD1 4Å; F409-L415 HydrophobicContact CG-CB 4.39Å; T411-L415 PolarHBondContact O-N 3.06Å; Q412-L415 PolarHBondContact O-N 3.05Å; W413-L415 VanDerWaalsContact C-N 3.34Å; L415-H418 PolarHBondContact O-N 2.84Å; L415-R419 HydrophobicContact CD1-CG 4.14Å; L415-R419 WeakPolarHBondContact O-CG 3.38Å; L415-R419 PolarHBondContact O-N 3.47Å
416	T	41.5	Very low	39.9	Very low	62 Å²	62	98.2 Å²	98.2	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-72.1	-31.7	177.7	44.6	0	0	0	0	112.9	Q412 W413 R420	Q412-T416 WeakPolarHBondContact O-CB 3.34Å; Q412-T416 WeakPolarHBondContact O-CG2 3.39Å; Q412-T416 PolarHBondContact O-N 3.01Å; Q412-T416 PolarHBondContact O-OG1 3.07Å; W413-T416 WeakPolarHBondContact CA-OG1 3.34Å; W413-T416 PolarHBondContact O-N 3.49Å; W413-T416 PolarHBondContact O-OG1 2.67Å; T416-R420 VanDerWaalsContact O-CB 3.25Å; T416-R420 WeakPolarHBondContact O-CB 3.42Å; T416-R420 PolarHBondContact O-N 3.21Å; T416-R420 VanDerWaalsContact O-N 3.12Å
417	L	44.5	Very low	39.4	Very low	49 Å²	49	98.5 Å²	98.5	26%	0.257	48%	0.479	S	S	.	.	H	α-helix	trans	-58.2	-52.1	163.4	-101	155.8	0	0	0	111	W413 Q414 R419 R420 D421	W413-L417 HydrophobicContact CD2-CD1 4.42Å; W413-L417 HydrophobicContact CG-CD1 4.47Å; W413-L417 HydrophobicContact CZ2-CD1 4.26Å; W413-L417 WeakPolarHBondContact O-CB 3.31Å; W413-L417 PolarHBondContact O-N 2.73Å; Q414-L417 WeakPolarHBondContact O-CB 3.44Å; L417-R419 PolarHBondContact O-N 3.04Å; L417-R420 WeakPolarHBondContact O-CB 3.26Å; L417-R420 PolarHBondContact O-N 3.06Å; L417-D421 VanDerWaalsContact CD2-OD2 3.27Å; L417-D421 WeakPolarHBondContact CD2-OD2 3.44Å; L417-D421 WeakPolarHBondContact O-CB 3.43Å; L417-D421 PolarHBondContact O-N 3.37Å
418	H	47.6	Very low	38.9	Very low	65 Å²	65	103.5 Å²	103.5	30%	0.301	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-41.8	-178.7	-175.1	59.7	0	0	0	113.1	C405 T407 F409 Q414 L415 R420 G422	C405-H418 PolarHBondContact SG-NE2 3.37Å; T407-H418 PolarHBondContact OG1-CD2 3.05Å; T407-H418 VanDerWaalsContact OG1-CD2 3.28Å; T407-H418 PolarHBondContact OG1-NE2 2.94Å; F409-H418 HydrophobicContact CE1-CB 4.19Å; F409-H418 HydrophobicContact CE2-CB 4.05Å; F409-H418 AromaticContact CE2-CD2 3.62Å; F409-H418 AromaticContact CE2-CG 3.96Å; F409-H418 HydrophobicContact CZ-CB 3.6Å; F409-H418 AromaticContact CZ-CD2 3.46Å; F409-H418 VanDerWaalsContact CZ-CD2 3.46Å; F409-H418 WeakPolarHBondContact CZ-CD2 3.09Å; F409-H418 AromaticContact CZ-CG 3.43Å; F409-H418 VanDerWaalsContact CZ-CG 3.43Å; Q414-H418 WeakPolarHBondContact O-CB 3.49Å; Q414-H418 PolarHBondContact O-N 2.72Å; L415-H418 PolarHBondContact O-N 2.84Å; H418-R420 PolarHBondContact O-N 3.05Å; H418-G422 PolarHBondContact O-N 2.84Å; H418-G422 VanDerWaalsContact O-N 3.16Å
419	R	45.6	Very low	38.2	Very low	108 Å²	108	103.4 Å²	103.4	41%	0.408	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-24.8	173.3	-70.3	-178.7	-166.2	-140.1	-2	113.1	S401 D403 L415 L417	S401-R419 PolarHBondContact O-NH2 3.49Å; D403-R419 VanDerWaalsContact CG-NH2 3.31Å; D403-R419 IonicContact OD1-NH2 3.76Å; D403-R419 IonicContact OD2-CZ 3.76Å; D403-R419 VanDerWaalsContact OD2-CZ 3.31Å; D403-R419 IonicContact OD2-NH1 3.11Å; D403-R419 PolarHBondContact OD2-NH1 3.06Å; D403-R419 VanDerWaalsContact OD2-NH1 3.1Å; D403-R419 IonicContact OD2-NH2 3.64Å; D403-R419 PolarHBondContact OD2-NH2 3.13Å; L415-R419 HydrophobicContact CD1-CG 4.14Å; L415-R419 WeakPolarHBondContact O-CG 3.38Å; L415-R419 PolarHBondContact O-N 3.47Å; L417-R419 PolarHBondContact O-N 3.04Å
420	R	43.8	Very low	37.2	Very low	155 Å²	155	107 Å²	107	59%	0.585	54%	0.537	S	S	*	.	H	α-helix	trans	-88.4	-37	179.2	-178.6	178.3	67.5	-157.8	-0.1	113.2	T416 L417 H418 G422	T416-R420 VanDerWaalsContact O-CB 3.25Å; T416-R420 WeakPolarHBondContact O-CB 3.42Å; T416-R420 PolarHBondContact O-N 3.21Å; T416-R420 VanDerWaalsContact O-N 3.12Å; L417-R420 WeakPolarHBondContact O-CB 3.26Å; L417-R420 PolarHBondContact O-N 3.06Å; H418-R420 PolarHBondContact O-N 3.05Å; R420-G422 VanDerWaalsContact C-N 3.34Å
421	D	39	Very low	36.5	Very low	97 Å²	97	111.9 Å²	111.9	52%	0.519	56%	0.56	S	S	.	*	H	α-helix	trans	-88.4	-9.3	-174.8	-58.2	-9.1	0	0	0	111.6	L417 I423	L417-D421 VanDerWaalsContact CD2-OD2 3.27Å; L417-D421 WeakPolarHBondContact CD2-OD2 3.44Å; L417-D421 WeakPolarHBondContact O-CB 3.43Å; L417-D421 PolarHBondContact O-N 3.37Å; D421-I423 VanDerWaalsContact C-N 3.34Å; D421-I423 PolarHBondContact O-N 3.3Å
422	G	39.3	Very low	36	Very low	51 Å²	51	114.1 Å²	114.1	53%	0.526	58%	0.576	S	S	.	*			trans	-78	51.7	-178.6	0	0	0	0	0	117.1	H418 R420	H418-G422 PolarHBondContact O-N 2.84Å; H418-G422 VanDerWaalsContact O-N 3.16Å; R420-G422 VanDerWaalsContact C-N 3.34Å
423	I	34.8	Very low	35.5	Very low	140 Å²	140	116.9 Å²	116.9	72%	0.718	59%	0.594	S	S	*	*			trans	-135.7	104.3	154.4	-67.4	94.2	0	0	0	110.6	D421	D421-I423 VanDerWaalsContact C-N 3.34Å; D421-I423 PolarHBondContact O-N 3.3Å
424	F	28	Very low	34.8	Very low	190 Å²	190	115.5 Å²	115.5	83%	0.833	60%	0.599	S	S	*	*			trans	-151.9	120.3	155.2	-87.2	-90.6	0	0	0	105.7
425	E	30.8	Very low	34.2	Very low	142 Å²	142	117.2 Å²	117.2	66%	0.664	62%	0.617	S	S	*	*	S	Bend	cis	-140.1	170.7	-6.9	-62.1	-171.3	154.8	0	0	110.2
426	N	33.6	Very low	33.4	Very low	128 Å²	128	124.7 Å²	124.7	68%	0.684	66%	0.656	S	S	*	*			trans	58.7	73.7	153.3	-53.6	-39.9	0	0	0	118.2
427	N	27.3	Very low	32.8	Very low	173 Å²	173	128.1 Å²	128.1	93%	0.925	68%	0.68	S	S	*	*				-159.1	155.9	129.2	-92.8	-41	0	0	0	109.9
428	I	28.2	Very low	31.9	Very low	159 Å²	159	129 Å²	129	82%	0.815	70%	0.701	S	S	*	*			trans	-121.9	159	-171.9	-42	177.9	0	0	0	109.3
429	V	26.9	Very low	31	Very low	131 Å²	131	135.3 Å²	135.3	79%	0.794	73%	0.727	S	S	*	*			trans	83.7	127.6	167.2	-175.3	0	0	0	0	114.3
430	V	25.3	Very low	30.3	Very low	114 Å²	114	138.6 Å²	138.6	69%	0.691	75%	0.752	S	S	*	*			cis	-154.8	160.3	-13.3	118.5	0	0	0	0	108.6
431	H	25.9	Very low	29.4	Very low	171 Å²	171	134.7 Å²	134.7	79%	0.792	76%	0.76	S	S	*	*			trans	-78.8	132.4	173	-124.6	-83.6	0	0	0	111.5	N433	H431-N433 PolarHBondContact O-N 3.16Å
432	P	29.9	Very low	29	Very low	106 Å²	106	136.2 Å²	136.2	69%	0.688	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	88.7	-179.8	30.6	-34.7	0	0	0	111.7
433	N	28.2	Very low	28.5	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	170.2	45.7	136.8	-83.7	-19.4	0	0	0	112.9	H431 P435	H431-N433 PolarHBondContact O-N 3.16Å; N433-P435 WeakPolarHBondContact O-CD 3.33Å
434	D	24.1	Very low	28.1	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	79%	0.789	S	S	*	*			trans	-79.2	106.9	150.9	-96.5	-33.4	0	0	0	108.5	L436	D434-L436 PolarHBondContact O-N 3.39Å
435	P	28.8	Very low	28.1	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	79%	0.786	S	S	*	*			trans	-67.6	127.4	157.4	29.6	-32.4	0	0	0	108.4	N433	N433-P435 WeakPolarHBondContact O-CD 3.33Å
436	L	28.7	Very low	28	Very low	162 Å²	162	134 Å²	134	85%	0.848	80%	0.795	S	S	*	*			trans	-52.6	141.7	-173.7	-72.8	165.5	0	0	0	113	D434 G438	D434-L436 PolarHBondContact O-N 3.39Å; L436-G438 PolarHBondContact O-N 2.95Å
437	P	28.8	Very low	28.1	Very low	134 Å²	134	133.1 Å²	133.1	87%	0.87	81%	0.805	S	S	*	*			trans	-64.2	108.5	-173.8	24.9	-34.4	0	0	0	112.2
438	G	26.1	Very low	28.6	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	80%	0.795	S	S	*	*			trans	-143.1	74	-168.1	0	0	0	0	0	115.8	L436	L436-G438 PolarHBondContact O-N 2.95Å
439	K	27.7	Very low	29.4	Very low	197 Å²	197	126.7 Å²	126.7	86%	0.857	79%	0.786	S	S	*	*			trans	86.7	110	166.7	-56.4	176.3	178.9	174.5	0	119.3
440	L	31	Very low	30.4	Very low	177 Å²	177	126.7 Å²	126.7	93%	0.927	78%	0.777	S	S	*	*			trans	28.7	131.4	141.7	-68.3	80.7	0	0	0	121.4
441	G	25.7	Very low	31.6	Very low	72 Å²	72	125.4 Å²	125.4	74%	0.742	77%	0.766	S	S	*	*			trans	171.8	77	153.6	0	0	0	0	0	120.1
442	V	29.5	Very low	32.7	Very low	130 Å²	130	124.5 Å²	124.5	79%	0.788	76%	0.759	S	S	*	*			trans	52.9	121.7	140.9	178.2	0	0	0	0	121.7
443	F	28.8	Very low	33.7	Very low	191 Å²	191	120.7 Å²	120.7	84%	0.838	74%	0.735	S	S	*	*			trans	9.4	146.5	146	-58.7	-93.7	0	0	0	120.9
444	S	27.9	Very low	34.7	Very low	108 Å²	108	118.5 Å²	118.5	76%	0.755	74%	0.739	S	S	*	*			cis	-170.7	175.8	-0.6	-110.5	0	0	0	0	108.9
445	G	27.8	Very low	35.7	Very low	74 Å²	74	115.9 Å²	115.9	76%	0.763	74%	0.737	S	S	*	*			cis	124.1	105.2	-1	0	0	0	0	0	114.2
446	A	27.1	Very low	36.9	Very low	104 Å²	104	113.1 Å²	113.1	86%	0.86	72%	0.72	S	S	*	*			trans	-146	136.3	177.7	0	0	0	0	0	114.9
447	A	37.2	Very low	38.1	Very low	109 Å²	109	108.1 Å²	108.1	90%	0.901	71%	0.707	S	S	*	*			trans	-1.3	131.8	176.7	0	0	0	0	0	122.2
448	S	36.3	Very low	39.3	Very low	102 Å²	102	107.8 Å²	107.8	71%	0.713	69%	0.692	S	S	*	*			trans	-134	150.8	163.8	-77.9	0	0	0	0	110.9	E450	S448-E450 PolarHBondContact O-N 2.83Å
449	P	45.1	Very low	40.7	Very low	94 Å²	94	107.5 Å²	107.5	61%	0.61	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-77.6	119.3	-172.1	29.3	-34.4	0	0	0	112.7	K462	P449-K462 WeakPolarHBondContact O-CE 3.4Å
450	E	47.7	Very low	41.9	Very low	131 Å²	131	99 Å²	99	61%	0.612	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-80.6	147.1	-172.3	-47.5	172.9	114.7	0	0	113.8	S448 V459	S448-E450 PolarHBondContact O-N 2.83Å; E450-V459 HydrophobicContact CB-CG1 3.32Å; E450-V459 VanDerWaalsContact CD-CG1 3.47Å; E450-V459 HydrophobicContact CG-CG1 4.01Å; E450-V459 VanDerWaalsContact OE2-CG1 3.31Å; E450-V459 WeakPolarHBondContact OE2-CG1 3.35Å
451	L	51	Low	43	Very low	87 Å²	87	92.7 Å²	92.7	46%	0.455	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	133.9	-179.1	-151.1	82.6	0	0	0	110.8	V459 L460	L451-V459 CarbonylContact O-C 3.52Å; L451-V459 WeakPolarHBondContact O-CA 3.33Å; L451-L460 PolarHBondContact N-O 2.93Å; L451-L460 PolarHBondContact O-N 2.79Å
452	K	50.2	Low	44.2	Very low	152 Å²	152	95.9 Å²	95.9	66%	0.661	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.6	126.6	-176.9	-55.2	-162.5	177.2	-175.2	0	112.3	A454 V459	K452-A454 PolarHBondContact O-N 3.23Å; K452-V459 HydrophobicContact CD-CG2 3.99Å; K452-V459 HydrophobicContact CG-CG1 4.26Å; K452-V459 HydrophobicContact CG-CG2 4.04Å
453	C	50.9	Low	44.9	Very low	26 Å²	26	94.3 Å²	94.3	18%	0.176	59%	0.594	C	S	.	*			trans	-78	115.1	179.3	-178.6	0	0	0	0	111.5	A455 C456 G457 K458 H470	C453-A455 PolarHBondContact O-N 3.06Å; C453-C456 PolarHBondContact O-N 2.97Å; C453-C456 VanDerWaalsContact SG-SG 3.69Å; C453-G457 WeakPolarHBondContact O-CA 3.43Å; C453-G457 PolarHBondContact O-N 3.23Å; C453-K458 PolarHBondContact N-O 3.43Å; C453-H470 WeakPolarHBondContact CB-NE2 3.28Å; C453-H470 PolarHBondContact SG-NE2 2.98Å
454	A	48	Very low	45.3	Very low	111 Å²	111	91.9 Å²	91.9	92%	0.917	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-23.6	-177.6	0	0	0	0	0	114.4	K452	K452-A454 PolarHBondContact O-N 3.23Å
455	A	44.5	Very low	46	Very low	88 Å²	88	93.6 Å²	93.6	73%	0.727	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-22	-177.3	0	0	0	0	0	114.4	C453	C453-A455 PolarHBondContact O-N 3.06Å
456	C	54.2	Low	47	Very low	59 Å²	59	93.3 Å²	93.3	40%	0.399	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.4	4.7	-175.4	68.3	0	0	0	0	115.2	C453 K458 H470	C453-C456 PolarHBondContact O-N 2.97Å; C453-C456 VanDerWaalsContact SG-SG 3.69Å; C456-K458 PolarHBondContact O-N 2.89Å; C456-H470 PolarHBondContact SG-CE1 3.16Å
457	G	54.6	Low	48.1	Very low	56 Å²	56	89.9 Å²	89.9	58%	0.577	53%	0.531	S	S	*	.			trans	70.9	-10.7	178.4	0	0	0	0	0	115.9	C453	C453-G457 WeakPolarHBondContact O-CA 3.43Å; C453-G457 PolarHBondContact O-N 3.23Å
458	K	54	Low	48.5	Very low	128 Å²	128	91.5 Å²	91.5	56%	0.557	51%	0.514	S	S	*	.			trans	-59	140.6	-179.9	-74.9	-170.1	176.8	-178.8	0	111.7	C453 C456	C453-K458 PolarHBondContact N-O 3.43Å; C456-K458 PolarHBondContact O-N 2.89Å
459	V	55.4	Low	49.2	Very low	62 Å²	62	88.1 Å²	88.1	38%	0.376	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.1	-180	-171.9	0	0	0	0	108.3	E450 L451 K452	E450-V459 HydrophobicContact CB-CG1 3.32Å; E450-V459 VanDerWaalsContact CD-CG1 3.47Å; E450-V459 HydrophobicContact CG-CG1 4.01Å; E450-V459 VanDerWaalsContact OE2-CG1 3.31Å; E450-V459 WeakPolarHBondContact OE2-CG1 3.35Å; L451-V459 CarbonylContact O-C 3.52Å; L451-V459 WeakPolarHBondContact O-CA 3.33Å; K452-V459 HydrophobicContact CD-CG2 3.99Å; K452-V459 HydrophobicContact CG-CG1 4.26Å; K452-V459 HydrophobicContact CG-CG2 4.04Å
460	L	53.9	Low	49.6	Very low	18 Å²	18	84.4 Å²	84.4	9%	0.094	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.4	-167.4	-55	171.7	0	0	0	110.7	L451 V466 V467 H470	L451-L460 PolarHBondContact N-O 2.93Å; L451-L460 PolarHBondContact O-N 2.79Å; L460-V466 HydrophobicContact CD2-CG1 4.47Å; L460-V467 HydrophobicContact CD1-CG2 4.48Å; L460-H470 HydrophobicContact CD1-CB 4.08Å; L460-H470 HydrophobicContact CD2-CB 3.93Å
461	A	54	Low	49.8	Very low	45 Å²	45	82.8 Å²	82.8	37%	0.372	46%	0.464	S	S	.	.			trans	-61.7	154.6	162.5	0	0	0	0	0	110.5	D463	A461-D463 WeakPolarHBondContact CB-OD2 3.21Å; A461-D463 PolarHBondContact O-N 2.78Å; A461-D463 VanDerWaalsContact O-N 3.13Å
462	K	50.1	Low	49.8	Very low	138 Å²	138	82.2 Å²	82.2	60%	0.6	46%	0.461	S	S	*	.	S	Bend	trans	-75.5	9.1	-179.7	-78.4	-174.4	169.3	-177.1	0	114.2	P449 F464	P449-K462 WeakPolarHBondContact O-CE 3.4Å; K462-F464 PolarHBondContact O-N 3.17Å
463	D	43.6	Very low	49.9	Very low	97 Å²	97	80.8 Å²	80.8	52%	0.519	46%	0.461	S	S	.	.			trans	-71	126.4	178.4	-58.7	-59.8	0	0	0	111.7	A461 H465 V466 V467	A461-D463 WeakPolarHBondContact CB-OD2 3.21Å; A461-D463 PolarHBondContact O-N 2.78Å; A461-D463 VanDerWaalsContact O-N 3.13Å; D463-H465 PolarHBondContact O-N 3.36Å; D463-H465 VanDerWaalsContact O-N 3.1Å; D463-V466 HydrophobicContact CB-CB 4.12Å; D463-V466 HydrophobicContact CB-CG2 3.87Å; D463-V466 PolarHBondContact O-N 3.47Å; D463-V467 PolarHBondContact O-N 2.83Å
464	F	38.2	Very low	50	Low	140 Å²	140	82.9 Å²	82.9	61%	0.614	47%	0.468	S	S	*	.	H	α-helix	trans	-51.8	-37	177.9	176.4	-111.2	0	0	0	112.6	K462 R468	K462-F464 PolarHBondContact O-N 3.17Å; F464-R468 WeakPolarHBondContact O-CB 3.5Å; F464-R468 PolarHBondContact O-N 3.26Å
465	H	41.8	Very low	50.1	Low	145 Å²	145	78.7 Å²	78.7	67%	0.671	43%	0.43	S	S	*	.	H	α-helix	trans	-72.7	-36	179	-67	-96.7	0	0	0	113.2	D463 G469	D463-H465 PolarHBondContact O-N 3.36Å; D463-H465 VanDerWaalsContact O-N 3.1Å; H465-G469 PolarHBondContact O-N 3.1Å
466	V	49.3	Very low	50.1	Low	67 Å²	67	79.9 Å²	79.9	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-71.4	-44	176.4	176.2	0	0	0	0	110.2	L460 D463 G469 H470	L460-V466 HydrophobicContact CD2-CG1 4.47Å; D463-V466 HydrophobicContact CB-CB 4.12Å; D463-V466 HydrophobicContact CB-CG2 3.87Å; D463-V466 PolarHBondContact O-N 3.47Å; V466-G469 PolarHBondContact O-N 3.23Å; V466-H470 WeakPolarHBondContact O-CB 3.27Å; V466-H470 PolarHBondContact O-N 3.09Å
467	V	49.9	Very low	49.8	Very low	33 Å²	33	82.5 Å²	82.5	20%	0.2	43%	0.433	C	S	.	.	H	α-helix	trans	-64.6	-43.3	175.2	177.2	0	0	0	0	111	L460 D463 H470 I471	L460-V467 HydrophobicContact CD1-CG2 4.48Å; D463-V467 PolarHBondContact O-N 2.83Å; V467-H470 PolarHBondContact O-N 2.92Å; V467-I471 HydrophobicContact CG1-CD1 3.87Å; V467-I471 VanDerWaalsContact O-CG1 3.27Å; V467-I471 WeakPolarHBondContact O-CG1 3.49Å; V467-I471 PolarHBondContact O-N 3.15Å
468	R	45.9	Very low	49.2	Very low	143 Å²	143	89.9 Å²	89.9	54%	0.54	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-44.4	175.8	-179.4	175.5	177.1	171.8	-1.1	112.2	F464 I471 L472	F464-R468 WeakPolarHBondContact O-CB 3.5Å; F464-R468 PolarHBondContact O-N 3.26Å; R468-I471 PolarHBondContact O-N 3.13Å; R468-L472 HydrophobicContact CG-CD1 4.16Å; R468-L472 VanDerWaalsContact O-CG 3.29Å; R468-L472 WeakPolarHBondContact O-CG 3.37Å; R468-L472 PolarHBondContact O-N 3.18Å
469	G	49.9	Very low	49.1	Very low	30 Å²	30	84.8 Å²	84.8	31%	0.309	43%	0.434	S	S	.	.	H	α-helix	trans	-59	-47.2	174.3	0	0	0	0	0	111.6	H465 V466 I471 L472 D473	H465-G469 PolarHBondContact O-N 3.1Å; V466-G469 PolarHBondContact O-N 3.23Å; G469-I471 VanDerWaalsContact C-N 3.33Å; G469-I471 PolarHBondContact O-N 3.21Å; G469-L472 WeakPolarHBondContact O-CA 3.23Å; G469-L472 WeakPolarHBondContact O-CB 3.43Å; G469-L472 PolarHBondContact O-N 3.05Å; G469-L472 VanDerWaalsContact O-N 3.09Å; G469-D473 PolarHBondContact O-N 2.84Å
470	H	54.8	Low	48.9	Very low	17 Å²	17	86.1 Å²	86.1	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-62.4	-36.5	176.5	-175.5	63.7	0	0	0	113.5	C453 C456 L460 V466 V467 L472 D473 H474	C453-H470 WeakPolarHBondContact CB-NE2 3.28Å; C453-H470 PolarHBondContact SG-NE2 2.98Å; C456-H470 PolarHBondContact SG-CE1 3.16Å; L460-H470 HydrophobicContact CD1-CB 4.08Å; L460-H470 HydrophobicContact CD2-CB 3.93Å; V466-H470 WeakPolarHBondContact O-CB 3.27Å; V466-H470 PolarHBondContact O-N 3.09Å; V467-H470 PolarHBondContact O-N 2.92Å; H470-L472 VanDerWaalsContact C-N 3.34Å; H470-D473 WeakPolarHBondContact O-CB 3.42Å; H470-D473 PolarHBondContact O-N 3.05Å; H470-H474 AromaticContact CD2-NE2 3.7Å; H470-H474 AromaticContact CE1-NE2 3.29Å; H470-H474 PolarHBondContact CE1-NE2 2.75Å; H470-H474 VanDerWaalsContact CE1-NE2 3.29Å; H470-H474 AromaticContact NE2-CD2 3.81Å; H470-H474 AromaticContact NE2-NE2 2.97Å; H470-H474 PolarHBondContact NE2-NE2 3.22Å; H470-H474 PolarHBondContact O-CD2 2.85Å
471	I	52.1	Low	48.7	Very low	96 Å²	96	86.1 Å²	86.1	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-67.5	-36.7	173.9	-70.6	165	0	0	0	110.9	V467 R468 G469 D473 H474	V467-I471 HydrophobicContact CG1-CD1 3.87Å; V467-I471 VanDerWaalsContact O-CG1 3.27Å; V467-I471 WeakPolarHBondContact O-CG1 3.49Å; V467-I471 PolarHBondContact O-N 3.15Å; R468-I471 PolarHBondContact O-N 3.13Å; G469-I471 VanDerWaalsContact C-N 3.33Å; G469-I471 PolarHBondContact O-N 3.21Å; I471-D473 VanDerWaalsContact C-N 3.35Å; I471-H474 PolarHBondContact O-N 3.27Å
472	L	50.7	Low	48.6	Very low	76 Å²	76	84 Å²	84	40%	0.398	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-32.4	174.5	-69.4	163.1	0	0	0	112.4	R468 G469 H470 H474 L475	R468-L472 HydrophobicContact CG-CD1 4.16Å; R468-L472 VanDerWaalsContact O-CG 3.29Å; R468-L472 WeakPolarHBondContact O-CG 3.37Å; R468-L472 PolarHBondContact O-N 3.18Å; G469-L472 WeakPolarHBondContact O-CA 3.23Å; G469-L472 WeakPolarHBondContact O-CB 3.43Å; G469-L472 PolarHBondContact O-N 3.05Å; G469-L472 VanDerWaalsContact O-N 3.09Å; H470-L472 VanDerWaalsContact C-N 3.34Å; L472-H474 PolarHBondContact O-N 3.01Å; L472-L475 HydrophobicContact CD2-CD1 4.26Å; L472-L475 PolarHBondContact O-N 3.07Å
473	D	53	Low	48.8	Very low	122 Å²	122	81 Å²	81	65%	0.652	42%	0.418	S	S	*	.	H	α-helix	trans	-60.8	-30.8	173.2	-71.1	-25.2	0	0	0	112.9	G469 H470 I471 L475	G469-D473 PolarHBondContact O-N 2.84Å; H470-D473 WeakPolarHBondContact O-CB 3.42Å; H470-D473 PolarHBondContact O-N 3.05Å; I471-D473 VanDerWaalsContact C-N 3.35Å; D473-L475 VanDerWaalsContact C-N 3.31Å
474	H	52.5	Low	49.5	Very low	69 Å²	69	81.1 Å²	81.1	32%	0.319	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.1	175.3	-65.3	-70	0	0	0	113.6	H470 I471 L472 S483	H470-H474 AromaticContact CD2-NE2 3.7Å; H470-H474 AromaticContact CE1-NE2 3.29Å; H470-H474 PolarHBondContact CE1-NE2 2.75Å; H470-H474 VanDerWaalsContact CE1-NE2 3.29Å; H470-H474 AromaticContact NE2-CD2 3.81Å; H470-H474 AromaticContact NE2-NE2 2.97Å; H470-H474 PolarHBondContact NE2-NE2 3.22Å; H470-H474 PolarHBondContact O-CD2 2.85Å; I471-H474 PolarHBondContact O-N 3.27Å; L472-H474 PolarHBondContact O-N 3.01Å; H474-S483 PolarHBondContact O-OG 2.94Å
475	L	48.7	Very low	50.6	Low	23 Å²	23	76.8 Å²	76.8	12%	0.12	41%	0.408	C	S	.	.	S	Bend	trans	-95.7	96.4	177.7	-67.2	174	0	0	0	109.3	L472 D473 L477 L495 T499	L472-L475 HydrophobicContact CD2-CD1 4.26Å; L472-L475 PolarHBondContact O-N 3.07Å; D473-L475 VanDerWaalsContact C-N 3.31Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3.32Å; L475-L495 HydrophobicContact CD2-CD2 4.42Å; L475-L495 HydrophobicContact CD2-CG 4.47Å; L475-T499 HydrophobicContact CD2-CG2 4.46Å
476	N	44.7	Very low	51.2	Low	113 Å²	113	76.2 Å²	76.2	60%	0.604	41%	0.41	S	S	*	.			trans	-72.5	83.6	-176.6	-164.1	-24.6	0	0	0	111.7	K478 G479	N476-K478 PolarHBondContact O-N 3.3Å; N476-G479 PolarHBondContact O-N 2.88Å
477	L	49.4	Very low	51	Low	115 Å²	115	78.3 Å²	78.3	60%	0.602	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.4	-169.4	-77.2	163	0	0	0	115.3	L475 L492	L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3.32Å; L477-L492 HydrophobicContact CD2-CD1 3.98Å; L477-L492 HydrophobicContact CD2-CD2 3.98Å
478	K	40.8	Very low	50.9	Low	210 Å²	210	86 Å²	86	91%	0.913	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.3	175.9	-74.7	-175.4	175.6	178.3	0	114.4	N476	N476-K478 PolarHBondContact O-N 3.3Å
479	G	51.5	Low	50.9	Low	22 Å²	22	80.8 Å²	80.8	23%	0.227	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-17.7	-172.8	0	0	0	0	0	115.9	N476 A481 R488	N476-G479 PolarHBondContact O-N 2.88Å; G479-A481 PolarHBondContact O-N 3.34Å; G479-R488 PolarHBondContact O-NE 3.08Å; G479-R488 VanDerWaalsContact O-NE 3.16Å
480	Q	52.4	Low	50.5	Low	89 Å²	89	86 Å²	86	42%	0.416	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	21.5	-168.8	-85.6	-170.1	-12	0	0	114.3	R488 H489 L490	Q480-R488 CarbonylContact O-C 3.54Å; Q480-R488 WeakPolarHBondContact O-CA 3.01Å; Q480-H489 WeakPolarHBondContact CB-O 3.43Å; Q480-H489 PolarHBondContact O-N 2.98Å; Q480-H489 PolarHBondContact OE1-O 3.45Å; Q480-L490 PolarHBondContact NE2-O 3.42Å; Q480-L490 PolarHBondContact OE1-O 2.9Å
481	A	49.6	Very low	49.9	Very low	19 Å²	19	90 Å²	90	16%	0.157	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-107.2	145.1	-171.9	0	0	0	0	0	112	G479 S483 Q487 R488	G479-A481 PolarHBondContact O-N 3.34Å; A481-S483 PolarHBondContact O-N 3.31Å; A481-Q487 CarbonylContact C-O 3.1Å; A481-Q487 WeakPolarHBondContact CA-O 3.39Å; A481-R488 HydrophobicContact CB-CG 3.86Å
482	C	52.3	Low	49.5	Very low	0 Å²	0	89.4 Å²	89.4	0%	0	46%	0.462	C	S	.	.			trans	-77.8	114.9	173.6	-179.6	0	0	0	0	110.7	V484 C485 D486 Q487 L495	C482-V484 PolarHBondContact O-N 3.27Å; C482-C485 VanDerWaalsContact CB-SG 3.57Å; C482-C485 PolarHBondContact O-N 2.86Å; C482-C485 VanDerWaalsContact O-N 3.08Å; C482-C485 VanDerWaalsContact SG-SG 3.67Å; C482-D486 VanDerWaalsContact O-CA 3.3Å; C482-D486 WeakPolarHBondContact O-CA 3.3Å; C482-D486 PolarHBondContact O-N 3.12Å; C482-Q487 PolarHBondContact N-O 3.21Å; C482-L495 HydrophobicContact CB-CD1 3.79Å
483	S	54.6	Low	49	Very low	76 Å²	76	89.1 Å²	89.1	53%	0.531	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-0.7	179.2	37.6	0	0	0	0	115.5	H474 A481	H474-S483 PolarHBondContact O-OG 2.94Å; A481-S483 PolarHBondContact O-N 3.31Å
484	V	57.4	Low	48.5	Very low	98 Å²	98	86.2 Å²	86.2	59%	0.594	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-20.7	177	-174	0	0	0	0	112.5	C482 H502	C482-V484 PolarHBondContact O-N 3.27Å; V484-H502 HydrophobicContact CG1-CB 4.27Å
485	C	60.3	Low	48.4	Very low	49 Å²	49	83.1 Å²	83.1	33%	0.331	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.6	5.3	-172.9	70.5	0	0	0	0	115.6	C482 Q487 H498	C482-C485 VanDerWaalsContact CB-SG 3.57Å; C482-C485 PolarHBondContact O-N 2.86Å; C482-C485 VanDerWaalsContact O-N 3.08Å; C482-C485 VanDerWaalsContact SG-SG 3.67Å; C485-Q487 PolarHBondContact O-N 2.89Å; C485-H498 PolarHBondContact SG-NE2 3.19Å
486	D	55.6	Low	48.2	Very low	133 Å²	133	86 Å²	86	71%	0.711	45%	0.454	S	S	*	.			trans	52.6	13.1	-175.9	-70.8	-47.6	0	0	0	117.1	C482 R488	C482-D486 VanDerWaalsContact O-CA 3.3Å; C482-D486 WeakPolarHBondContact O-CA 3.3Å; C482-D486 PolarHBondContact O-N 3.12Å; D486-R488 PolarHBondContact O-N 3.42Å
487	Q	45.7	Very low	48.4	Very low	111 Å²	111	86.3 Å²	86.3	52%	0.519	45%	0.447	S	S	.	.			trans	-67.4	130.2	173.4	-68	-164.6	4.3	0	0	111.2	A481 C482 C485 H489	A481-Q487 CarbonylContact C-O 3.1Å; A481-Q487 WeakPolarHBondContact CA-O 3.39Å; C482-Q487 PolarHBondContact N-O 3.21Å; C485-Q487 PolarHBondContact O-N 2.89Å; Q487-H489 PolarHBondContact O-CD2 2.69Å; Q487-H489 VanDerWaalsContact O-CD2 3.24Å
488	R	47.2	Very low	48.4	Very low	196 Å²	196	82.5 Å²	82.5	74%	0.74	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-90.5	130.4	176.5	-79	-178.4	167.8	150.3	4.9	111.6	G479 Q480 A481 D486	G479-R488 PolarHBondContact O-NE 3.08Å; G479-R488 VanDerWaalsContact O-NE 3.16Å; Q480-R488 CarbonylContact O-C 3.54Å; Q480-R488 WeakPolarHBondContact O-CA 3.01Å; A481-R488 HydrophobicContact CB-CG 3.86Å; D486-R488 PolarHBondContact O-N 3.42Å
489	H	46.6	Very low	48.9	Very low	32 Å²	32	73.6 Å²	73.6	15%	0.148	39%	0.389	C	S	.	.			trans	-123.3	124.6	-178.9	-60.8	-94.1	0	0	0	109.9	Q480 Q487 N491 L495 H498	Q480-H489 WeakPolarHBondContact CB-O 3.43Å; Q480-H489 PolarHBondContact O-N 2.98Å; Q480-H489 PolarHBondContact OE1-O 3.45Å; Q487-H489 PolarHBondContact O-CD2 2.69Å; Q487-H489 VanDerWaalsContact O-CD2 3.24Å; H489-N491 PolarHBondContact O-N 2.74Å; H489-L495 HydrophobicContact CB-CB 4.09Å; H489-H498 AromaticContact CE1-CD2 3.9Å; H489-H498 AromaticContact CE1-CG 3.44Å; H489-H498 VanDerWaalsContact CE1-CG 3.44Å; H489-H498 AromaticContact CE1-ND1 3.65Å; H489-H498 AromaticContact NE2-CD2 3.33Å; H489-H498 PolarHBondContact NE2-CD2 3.04Å; H489-H498 VanDerWaalsContact NE2-CD2 3.33Å; H489-H498 AromaticContact NE2-CG 3.34Å; H489-H498 VanDerWaalsContact NE2-CG 3.34Å; H489-H498 AromaticContact NE2-ND1 3.84Å; H489-H498 AromaticContact NE2-NE2 3.86Å
490	L	39.9	Very low	48.9	Very low	141 Å²	141	74.9 Å²	74.9	74%	0.738	39%	0.391	S	S	*	.	S	Bend	trans	-60.9	-15.9	-171.7	-75.6	76.9	0	0	0	114.8	Q480	Q480-L490 PolarHBondContact NE2-O 3.42Å; Q480-L490 PolarHBondContact OE1-O 2.9Å
491	N	43.9	Very low	48.8	Very low	101 Å²	101	73.3 Å²	73.3	54%	0.54	39%	0.389	S	S	.	.	S	Bend	trans	-135.4	137.2	-175.2	-61.3	73.3	0	0	0	109.9	H489 C493 S494 L495	H489-N491 PolarHBondContact O-N 2.74Å; N491-C493 PolarHBondContact O-N 2.75Å; N491-S494 WeakPolarHBondContact O-CB 3.35Å; N491-S494 PolarHBondContact O-N 3.12Å; N491-L495 PolarHBondContact O-N 3.4Å
492	L	42	Very low	48.7	Very low	83 Å²	83	76.6 Å²	76.6	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-58.2	-34.2	179.6	-176.8	61.2	0	0	0	112.6	L477 L495 M496	L477-L492 HydrophobicContact CD2-CD1 3.98Å; L477-L492 HydrophobicContact CD2-CD2 3.98Å; L492-L495 HydrophobicContact CD1-CD2 4.25Å; L492-L495 WeakPolarHBondContact O-CB 3.49Å; L492-L495 PolarHBondContact O-N 3.16Å; L492-M496 WeakPolarHBondContact O-CB 3.47Å; L492-M496 PolarHBondContact O-N 3.42Å
493	C	41.3	Very low	48.5	Very low	70 Å²	70	82.6 Å²	82.6	47%	0.473	43%	0.433	S	S	.	.	H	α-helix	trans	-62.5	-47	174.9	-165.6	0	0	0	0	111.6	N491 L495 M496 W497	N491-C493 PolarHBondContact O-N 2.75Å; C493-L495 VanDerWaalsContact C-N 3.32Å; C493-L495 PolarHBondContact O-N 3.36Å; C493-M496 WeakPolarHBondContact O-CB 3.24Å; C493-M496 PolarHBondContact O-N 2.86Å; C493-W497 PolarHBondContact O-N 3.26Å; C493-W497 PolarHBondContact SG-NE1 2.85Å
494	S	42.8	Very low	47.9	Very low	60 Å²	60	82.1 Å²	82.1	42%	0.42	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-35.4	176.5	-50	0	0	0	0	112.8	N491 H498	N491-S494 WeakPolarHBondContact O-CB 3.35Å; N491-S494 PolarHBondContact O-N 3.12Å; S494-H498 WeakPolarHBondContact O-CB 3.47Å; S494-H498 PolarHBondContact O-N 3.41Å
495	L	49.7	Very low	47.1	Very low	4 Å²	4	82.6 Å²	82.6	2%	0.021	44%	0.438	C	S	.	.	H	α-helix	trans	-63.5	-44.2	172.6	-179.1	60.3	0	0	0	111.4	L475 C482 H489 N491 L492 C493 H498 T499	L475-L495 HydrophobicContact CD2-CD2 4.42Å; L475-L495 HydrophobicContact CD2-CG 4.47Å; C482-L495 HydrophobicContact CB-CD1 3.79Å; H489-L495 HydrophobicContact CB-CB 4.09Å; N491-L495 PolarHBondContact O-N 3.4Å; L492-L495 HydrophobicContact CD1-CD2 4.25Å; L492-L495 WeakPolarHBondContact O-CB 3.49Å; L492-L495 PolarHBondContact O-N 3.16Å; C493-L495 VanDerWaalsContact C-N 3.32Å; C493-L495 PolarHBondContact O-N 3.36Å; L495-H498 PolarHBondContact O-N 3.02Å; L495-T499 PolarHBondContact O-N 2.97Å; L495-T499 PolarHBondContact O-OG1 3.02Å
496	M	45.1	Very low	46.2	Very low	84 Å²	84	84.8 Å²	84.8	41%	0.414	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-50.1	178.4	-175	177.8	70	0	0	111.9	L492 C493 H498 T499 L500	L492-M496 WeakPolarHBondContact O-CB 3.47Å; L492-M496 PolarHBondContact O-N 3.42Å; C493-M496 WeakPolarHBondContact O-CB 3.24Å; C493-M496 PolarHBondContact O-N 2.86Å; M496-H498 VanDerWaalsContact C-N 3.28Å; M496-H498 PolarHBondContact O-N 3.16Å; M496-T499 WeakPolarHBondContact CA-OG1 3.41Å; M496-T499 PolarHBondContact O-N 3.28Å; M496-T499 PolarHBondContact O-OG1 3.43Å; M496-L500 HydrophobicContact CG-CD1 4.22Å; M496-L500 WeakPolarHBondContact O-CG 3.34Å; M496-L500 PolarHBondContact O-N 3.46Å
497	W	49	Very low	45.8	Very low	120 Å²	120	80.9 Å²	80.9	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-34.8	175.4	-64.8	117.3	0	0	0	112.6	C493 L500 S501	C493-W497 PolarHBondContact O-N 3.26Å; C493-W497 PolarHBondContact SG-NE1 2.85Å; W497-L500 HydrophobicContact CD2-CD1 4.44Å; W497-L500 HydrophobicContact CE3-CD1 3.68Å; W497-L500 HydrophobicContact CZ3-CD1 3.88Å; W497-S501 PolarHBondContact O-N 3.28Å
498	H	49.2	Very low	46	Very low	35 Å²	35	80 Å²	80	16%	0.162	43%	0.43	C	S	.	.	H	α-helix	trans	-66	-45.1	173	-174	77.8	0	0	0	112.2	C485 H489 S494 L495 M496 L500 S501 H502	C485-H498 PolarHBondContact SG-NE2 3.19Å; H489-H498 AromaticContact CE1-CD2 3.9Å; H489-H498 AromaticContact CE1-CG 3.44Å; H489-H498 VanDerWaalsContact CE1-CG 3.44Å; H489-H498 AromaticContact CE1-ND1 3.65Å; H489-H498 AromaticContact NE2-CD2 3.33Å; H489-H498 PolarHBondContact NE2-CD2 3.04Å; H489-H498 VanDerWaalsContact NE2-CD2 3.33Å; H489-H498 AromaticContact NE2-CG 3.34Å; H489-H498 VanDerWaalsContact NE2-CG 3.34Å; H489-H498 AromaticContact NE2-ND1 3.84Å; H489-H498 AromaticContact NE2-NE2 3.86Å; S494-H498 WeakPolarHBondContact O-CB 3.47Å; S494-H498 PolarHBondContact O-N 3.41Å; L495-H498 PolarHBondContact O-N 3.02Å; M496-H498 VanDerWaalsContact C-N 3.28Å; M496-H498 PolarHBondContact O-N 3.16Å; H498-L500 PolarHBondContact O-N 2.85Å; H498-S501 WeakPolarHBondContact O-CB 3.27Å; H498-S501 PolarHBondContact O-N 3.26Å; H498-S501 VanDerWaalsContact O-N 3.16Å; H498-S501 PolarHBondContact O-OG 3.22Å; H498-H502 AromaticContact CD2-CD2 3.9Å; H498-H502 AromaticContact CD2-NE2 3.49Å; H498-H502 PolarHBondContact CD2-NE2 3.19Å; H498-H502 AromaticContact CE1-NE2 3.65Å; H498-H502 AromaticContact NE2-CD2 3.81Å; H498-H502 AromaticContact NE2-CE1 3.94Å; H498-H502 AromaticContact NE2-NE2 2.95Å; H498-H502 PolarHBondContact NE2-NE2 3.39Å; H498-H502 PolarHBondContact O-CD2 3.38Å; H498-H502 VanDerWaalsContact O-CD2 3.29Å; H498-H502 PolarHBondContact O-N 3.49Å
499	T	50.3	Low	45.6	Very low	23 Å²	23	74.5 Å²	74.5	14%	0.141	42%	0.421	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175	46.7	0	0	0	0	113	L475 L495 M496 S501 H502 L503	L475-T499 HydrophobicContact CD2-CG2 4.46Å; L495-T499 PolarHBondContact O-N 2.97Å; L495-T499 PolarHBondContact O-OG1 3.02Å; M496-T499 WeakPolarHBondContact CA-OG1 3.41Å; M496-T499 PolarHBondContact O-N 3.28Å; M496-T499 PolarHBondContact O-OG1 3.43Å; T499-S501 PolarHBondContact O-N 3.13Å; T499-H502 PolarHBondContact O-N 3.18Å; T499-H502 VanDerWaalsContact O-N 3.1Å; T499-L503 WeakPolarHBondContact O-CG 3.41Å; T499-L503 PolarHBondContact O-N 3.31Å
500	L	51.3	Low	45.7	Very low	49 Å²	49	73.1 Å²	73.1	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-31.8	174.2	-72.2	165.9	0	0	0	112.4	M496 W497 H498 L503 G504 I505	M496-L500 HydrophobicContact CG-CD1 4.22Å; M496-L500 WeakPolarHBondContact O-CG 3.34Å; M496-L500 PolarHBondContact O-N 3.46Å; W497-L500 HydrophobicContact CD2-CD1 4.44Å; W497-L500 HydrophobicContact CE3-CD1 3.68Å; W497-L500 HydrophobicContact CZ3-CD1 3.88Å; H498-L500 PolarHBondContact O-N 2.85Å; L500-L503 HydrophobicContact CD2-CD1 4.39Å; L500-L503 PolarHBondContact O-N 2.99Å; L500-G504 PolarHBondContact O-N 2.91Å; L500-I505 HydrophobicContact CD2-CD1 4.19Å
501	S	50.5	Low	45.9	Very low	56 Å²	56	71.4 Å²	71.4	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-69.4	-30.3	175.1	80.1	0	0	0	0	113.9	W497 H498 T499 L503 G504	W497-S501 PolarHBondContact O-N 3.28Å; H498-S501 WeakPolarHBondContact O-CB 3.27Å; H498-S501 PolarHBondContact O-N 3.26Å; H498-S501 VanDerWaalsContact O-N 3.16Å; H498-S501 PolarHBondContact O-OG 3.22Å; T499-S501 PolarHBondContact O-N 3.13Å; S501-L503 VanDerWaalsContact C-N 3.34Å; S501-G504 PolarHBondContact O-N 3.42Å
502	H	48	Very low	46.1	Very low	87 Å²	87	70.8 Å²	70.8	40%	0.403	41%	0.414	S	S	.	.	H	α-helix	trans	-73.1	-27.9	170.5	-66.3	-74.4	0	0	0	112.3	V484 H498 T499 G504	V484-H502 HydrophobicContact CG1-CB 4.27Å; H498-H502 AromaticContact CD2-CD2 3.9Å; H498-H502 AromaticContact CD2-NE2 3.49Å; H498-H502 PolarHBondContact CD2-NE2 3.19Å; H498-H502 AromaticContact CE1-NE2 3.65Å; H498-H502 AromaticContact NE2-CD2 3.81Å; H498-H502 AromaticContact NE2-CE1 3.94Å; H498-H502 AromaticContact NE2-NE2 2.95Å; H498-H502 PolarHBondContact NE2-NE2 3.39Å; H498-H502 PolarHBondContact O-CD2 3.38Å; H498-H502 VanDerWaalsContact O-CD2 3.29Å; H498-H502 PolarHBondContact O-N 3.49Å; T499-H502 PolarHBondContact O-N 3.18Å; T499-H502 VanDerWaalsContact O-N 3.1Å; H502-G504 PolarHBondContact O-N 3.45Å
503	L	48.8	Very low	46.1	Very low	126 Å²	126	69.3 Å²	69.3	66%	0.66	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.1	175.7	-64.6	169.8	0	0	0	113.4	T499 L500 S501 I505	T499-L503 WeakPolarHBondContact O-CG 3.41Å; T499-L503 PolarHBondContact O-N 3.31Å; L500-L503 HydrophobicContact CD2-CD1 4.39Å; L500-L503 PolarHBondContact O-N 2.99Å; S501-L503 VanDerWaalsContact C-N 3.34Å; L503-I505 VanDerWaalsContact C-N 3.29Å; L503-I505 PolarHBondContact O-N 3.32Å
504	G	41.6	Very low	46	Very low	67 Å²	67	70 Å²	70	69%	0.691	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	9	171.5	0	0	0	0	0	115.8	L500 S501 H502	L500-G504 PolarHBondContact O-N 2.91Å; S501-G504 PolarHBondContact O-N 3.42Å; H502-G504 PolarHBondContact O-N 3.45Å
505	I	40	Very low	45.8	Very low	108 Å²	108	71.2 Å²	71.2	55%	0.554	42%	0.423	S	S	*	.			trans	-83	119.3	179.8	-57.1	172.6	0	0	0	108.7	L500 L503 V507	L500-I505 HydrophobicContact CD2-CD1 4.19Å; L503-I505 VanDerWaalsContact C-N 3.29Å; L503-I505 PolarHBondContact O-N 3.32Å; I505-V507 WeakPolarHBondContact O-CG2 3.41Å
506	S	42.5	Very low	45.3	Very low	95 Å²	95	74.5 Å²	74.5	66%	0.664	45%	0.446	S	S	*	.			trans	-91.9	126.5	173.5	55.9	0	0	0	0	111.2
507	V	47.2	Very low	45.4	Very low	50 Å²	50	72.4 Å²	72.4	30%	0.303	44%	0.435	S	S	.	.			cis	84.9	120.3	41.5	174.4	0	0	0	0	112.9	I505 S509 F517 V518	I505-V507 WeakPolarHBondContact O-CG2 3.41Å; V507-S509 PolarHBondContact O-N 3.38Å; V507-F517 WeakPolarHBondContact CG1-O 3.42Å; V507-V518 VanDerWaalsContact CG1-CA 3.48Å; V507-V518 HydrophobicContact CG1-CB 4.44Å; V507-V518 HydrophobicContact CG1-CG2 4.3Å
508	F	49.3	Very low	44.9	Very low	94 Å²	94	70.1 Å²	70.1	41%	0.412	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-51	129.1	-170.6	-58.5	-85.2	0	0	0	113.9	S516 F517 W520 L523	F508-S516 CarbonylContact O-C 3.55Å; F508-S516 VanDerWaalsContact O-CA 3.32Å; F508-S516 WeakPolarHBondContact O-CA 3.45Å; F508-F517 PolarHBondContact O-N 3.15Å; F508-W520 HydrophobicContact CD1-CE3 4.34Å; F508-W520 HydrophobicContact CE1-CE3 4.36Å; F508-W520 HydrophobicContact CE2-CB 4.25Å; F508-W520 HydrophobicContact CZ-CB 4.39Å; F508-L523 HydrophobicContact CB-CD2 3.84Å
509	S	38.3	Very low	44.7	Very low	80 Å²	80	71.8 Å²	71.8	56%	0.559	44%	0.444	S	S	*	.	B	Isolated β-bridge	trans	-103.4	136.6	-179.8	53.3	0	0	0	0	112.9	V507 S511 N515	V507-S509 PolarHBondContact O-N 3.38Å; S509-S511 PolarHBondContact O-N 3.22Å; S509-N515 CarbonylContact C-O 3.58Å; S509-N515 WeakPolarHBondContact CA-O 3.47Å
510	C	49.4	Very low	44.4	Very low	2 Å²	2	77 Å²	77	1%	0.014	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-73.2	120.9	168.8	176.6	0	0	0	0	111.2	V512 C513 A514 N515 F517 L523 H526	C510-V512 VanDerWaalsContact C-N 3.26Å; C510-V512 PolarHBondContact O-N 2.89Å; C510-V512 PolarHBondContact SG-N 3.35Å; C510-V512 VanDerWaalsContact SG-N 3.44Å; C510-C513 PolarHBondContact O-N 2.75Å; C510-A514 WeakPolarHBondContact O-CA 3.48Å; C510-A514 PolarHBondContact O-N 3.25Å; C510-N515 PolarHBondContact N-O 3.24Å; C510-F517 HydrophobicContact CB-CE2 3.9Å; C510-L523 HydrophobicContact CB-CD1 3.68Å; C510-H526 PolarHBondContact SG-CD2 2.87Å; C510-H526 PolarHBondContact SG-NE2 2.93Å; C510-H526 VanDerWaalsContact SG-NE2 3.37Å
511	S	44.8	Very low	44.2	Very low	105 Å²	105	80 Å²	80	73%	0.734	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.7	176.6	49.5	0	0	0	0	114.1	S509	S509-S511 PolarHBondContact O-N 3.22Å
512	V	47.3	Very low	44.1	Very low	89 Å²	89	81.8 Å²	81.8	54%	0.539	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-24.2	-173.3	-171.2	0	0	0	0	113.1	C510 M527 H530	C510-V512 VanDerWaalsContact C-N 3.26Å; C510-V512 PolarHBondContact O-N 2.89Å; C510-V512 PolarHBondContact SG-N 3.35Å; C510-V512 VanDerWaalsContact SG-N 3.44Å; V512-M527 HydrophobicContact CG2-CE 3.88Å; V512-H530 WeakPolarHBondContact CG1-ND1 3.44Å; V512-H530 HydrophobicContact CG2-CB 4.41Å
513	C	41.1	Very low	44.5	Very low	52 Å²	52	78.2 Å²	78.2	35%	0.351	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	10.7	-175.8	72.3	0	0	0	0	116.5	C510 N515 H526	C510-C513 PolarHBondContact O-N 2.75Å; C513-N515 PolarHBondContact O-N 3.4Å; C513-N515 VanDerWaalsContact O-N 3.07Å; C513-N515 PolarHBondContact SG-ND2 2.74Å; C513-H526 PolarHBondContact SG-NE2 3.12Å
514	A	40.6	Very low	44.8	Very low	84 Å²	84	76.7 Å²	76.7	69%	0.694	45%	0.452	S	S	*	.			trans	56.4	20.6	175.3	0	0	0	0	0	116.3	C510	C510-A514 WeakPolarHBondContact O-CA 3.48Å; C510-A514 PolarHBondContact O-N 3.25Å
515	N	37.2	Very low	45.4	Very low	86 Å²	86	80.6 Å²	80.6	46%	0.46	45%	0.45	S	S	.	.			trans	-78.9	138.8	169.8	-75.3	-53.2	0	0	0	110.8	S509 C510 C513 F517	S509-N515 CarbonylContact C-O 3.58Å; S509-N515 WeakPolarHBondContact CA-O 3.47Å; C510-N515 PolarHBondContact N-O 3.24Å; C513-N515 PolarHBondContact O-N 3.4Å; C513-N515 VanDerWaalsContact O-N 3.07Å; C513-N515 PolarHBondContact SG-ND2 2.74Å; N515-F517 HydrophobicContact CB-CD2 4.43Å; N515-F517 HydrophobicContact CB-CE2 3.47Å; N515-F517 VanDerWaalsContact CB-CE2 3.47Å; N515-F517 HydrophobicContact CB-CZ 3.62Å; N515-F517 WeakPolarHBondContact O-CD2 3.48Å; N515-F517 VanDerWaalsContact O-CE2 3.28Å; N515-F517 WeakPolarHBondContact O-CE2 3.38Å
516	S	40.9	Very low	46.3	Very low	73 Å²	73	77.1 Å²	77.1	51%	0.51	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-98.6	134.9	176.9	-50.6	0	0	0	0	111.9	F508	F508-S516 CarbonylContact O-C 3.55Å; F508-S516 VanDerWaalsContact O-CA 3.32Å; F508-S516 WeakPolarHBondContact O-CA 3.45Å
517	F	46.1	Very low	46.9	Very low	40 Å²	40	75 Å²	75	18%	0.175	41%	0.411	C	S	.	.			trans	-129.3	119.6	-173.4	-61.9	-87.5	0	0	0	111.5	V507 F508 C510 N515 D519 L522 L523 H526	V507-F517 WeakPolarHBondContact CG1-O 3.42Å; F508-F517 PolarHBondContact O-N 3.15Å; C510-F517 HydrophobicContact CB-CE2 3.9Å; N515-F517 HydrophobicContact CB-CD2 4.43Å; N515-F517 HydrophobicContact CB-CE2 3.47Å; N515-F517 VanDerWaalsContact CB-CE2 3.47Å; N515-F517 HydrophobicContact CB-CZ 3.62Å; N515-F517 WeakPolarHBondContact O-CD2 3.48Å; N515-F517 VanDerWaalsContact O-CE2 3.28Å; N515-F517 WeakPolarHBondContact O-CE2 3.38Å; F517-D519 PolarHBondContact O-N 2.91Å; F517-L522 HydrophobicContact CB-CB 4.31Å; F517-L522 HydrophobicContact CD1-CB 4.46Å; F517-L523 HydrophobicContact CB-CB 4.14Å; F517-L523 HydrophobicContact CD2-CB 4.35Å; F517-L523 HydrophobicContact CD2-CD1 3.93Å; F517-L523 HydrophobicContact CE2-CD1 4.29Å; F517-L523 HydrophobicContact CG-CB 4.43Å; F517-H526 HydrophobicContact CE1-CB 3.98Å; F517-H526 AromaticContact CE1-CG 3.98Å; F517-H526 HydrophobicContact CE2-CB 4.16Å; F517-H526 AromaticContact CE2-CD2 3.44Å; F517-H526 VanDerWaalsContact CE2-CD2 3.44Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.4Å; F517-H526 AromaticContact CE2-CG 3.73Å; F517-H526 AromaticContact CE2-NE2 3.99Å; F517-H526 HydrophobicContact CZ-CB 3.74Å; F517-H526 AromaticContact CZ-CD2 3.45Å; F517-H526 VanDerWaalsContact CZ-CD2 3.45Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.41Å; F517-H526 AromaticContact CZ-CE1 3.97Å; F517-H526 AromaticContact CZ-CG 3.28Å; F517-H526 AromaticContact CZ-ND1 3.64Å; F517-H526 AromaticContact CZ-NE2 3.88Å
518	V	39.6	Very low	47.6	Very low	71 Å²	71	75.7 Å²	75.7	43%	0.43	42%	0.422	S	S	.	.	S	Bend	trans	-61.4	-8.8	-169.7	-167.1	0	0	0	0	114.4	V507	V507-V518 VanDerWaalsContact CG1-CA 3.48Å; V507-V518 HydrophobicContact CG1-CB 4.44Å; V507-V518 HydrophobicContact CG1-CG2 4.3Å
519	D	43	Very low	47.9	Very low	71 Å²	71	76.2 Å²	76.2	38%	0.38	43%	0.432	S	S	.	.	S	Bend	trans	-147.3	140.2	-174.9	159.7	30.8	0	0	0	109	F517 H521 L522 L523	F517-D519 PolarHBondContact O-N 2.91Å; D519-H521 VanDerWaalsContact C-N 3.32Å; D519-H521 PolarHBondContact O-N 3.13Å; D519-H521 PolarHBondContact OD1-N 3.47Å; D519-H521 WeakPolarHBondContact OD2-CB 3.4Å; D519-L522 HydrophobicContact CB-CB 4.31Å; D519-L522 HydrophobicContact CB-CD1 4.15Å; D519-L522 WeakPolarHBondContact O-CB 3.46Å; D519-L522 PolarHBondContact O-N 3.29Å; D519-L522 VanDerWaalsContact O-N 3.11Å; D519-L523 PolarHBondContact O-N 2.93Å; D519-L523 VanDerWaalsContact O-N 3.1Å
520	W	46	Very low	48.7	Very low	131 Å²	131	75.1 Å²	75.1	50%	0.496	42%	0.418	S	S	.	.	H	α-helix	trans	-56.4	-43.4	175.3	171	-90.8	0	0	0	111.9	F508 L522 L523 E524	F508-W520 HydrophobicContact CD1-CE3 4.34Å; F508-W520 HydrophobicContact CE1-CE3 4.36Å; F508-W520 HydrophobicContact CE2-CB 4.25Å; F508-W520 HydrophobicContact CZ-CB 4.39Å; W520-L522 PolarHBondContact O-N 2.96Å; W520-L522 VanDerWaalsContact O-N 3.14Å; W520-L523 HydrophobicContact CE3-CD2 4.33Å; W520-L523 HydrophobicContact CZ3-CD2 4.22Å; W520-L523 CarbonylContact O-C 3.55Å; W520-L523 WeakPolarHBondContact O-CA 3.39Å; W520-L523 PolarHBondContact O-N 3.08Å; W520-E524 PolarHBondContact NE1-OE2 2.8Å; W520-E524 WeakPolarHBondContact O-CB 3.42Å; W520-E524 PolarHBondContact O-N 2.83Å
521	H	45.7	Very low	48.8	Very low	112 Å²	112	82.6 Å²	82.6	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-64.4	-21.2	179.3	-89.1	67.8	0	0	0	113	D519 K525	D519-H521 VanDerWaalsContact C-N 3.32Å; D519-H521 PolarHBondContact O-N 3.13Å; D519-H521 PolarHBondContact OD1-N 3.47Å; D519-H521 WeakPolarHBondContact OD2-CB 3.4Å; H521-K525 WeakPolarHBondContact O-CB 3.5Å; H521-K525 WeakPolarHBondContact O-CD 3.48Å; H521-K525 VanDerWaalsContact O-CG 3.31Å; H521-K525 WeakPolarHBondContact O-CG 3.25Å; H521-K525 PolarHBondContact O-N 3.11Å
522	L	49.8	Very low	48.9	Very low	95 Å²	95	81.4 Å²	81.4	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-83.8	-34.2	172.9	-90.9	157.3	0	0	0	112.2	F517 D519 W520 H526	F517-L522 HydrophobicContact CB-CB 4.31Å; F517-L522 HydrophobicContact CD1-CB 4.46Å; D519-L522 HydrophobicContact CB-CB 4.31Å; D519-L522 HydrophobicContact CB-CD1 4.15Å; D519-L522 WeakPolarHBondContact O-CB 3.46Å; D519-L522 PolarHBondContact O-N 3.29Å; D519-L522 VanDerWaalsContact O-N 3.11Å; W520-L522 PolarHBondContact O-N 2.96Å; W520-L522 VanDerWaalsContact O-N 3.14Å; L522-H526 WeakPolarHBondContact O-CB 3.32Å; L522-H526 PolarHBondContact O-N 3.07Å
523	L	56.1	Low	48.7	Very low	12 Å²	12	83.2 Å²	83.2	6%	0.063	45%	0.451	C	S	.	.	H	α-helix	trans	-66.3	-43.2	167.3	174.3	58.2	0	0	0	111.1	F508 C510 F517 D519 W520 H526 M527	F508-L523 HydrophobicContact CB-CD2 3.84Å; C510-L523 HydrophobicContact CB-CD1 3.68Å; F517-L523 HydrophobicContact CB-CB 4.14Å; F517-L523 HydrophobicContact CD2-CB 4.35Å; F517-L523 HydrophobicContact CD2-CD1 3.93Å; F517-L523 HydrophobicContact CE2-CD1 4.29Å; F517-L523 HydrophobicContact CG-CB 4.43Å; D519-L523 PolarHBondContact O-N 2.93Å; D519-L523 VanDerWaalsContact O-N 3.1Å; W520-L523 HydrophobicContact CE3-CD2 4.33Å; W520-L523 HydrophobicContact CZ3-CD2 4.22Å; W520-L523 CarbonylContact O-C 3.55Å; W520-L523 WeakPolarHBondContact O-CA 3.39Å; W520-L523 PolarHBondContact O-N 3.08Å; L523-H526 CarbonylContact O-C 3.52Å; L523-H526 WeakPolarHBondContact O-CA 3.38Å; L523-H526 WeakPolarHBondContact O-CB 3.26Å; L523-H526 PolarHBondContact O-N 3.21Å; L523-M527 HydrophobicContact CD1-CG 3.87Å; L523-M527 HydrophobicContact CD1-SD 4.38Å; L523-M527 HydrophobicContact CG-CG 4.06Å; L523-M527 WeakPolarHBondContact O-CG 3.06Å; L523-M527 PolarHBondContact O-N 3.25Å
524	E	53.8	Low	48.8	Very low	93 Å²	93	87.7 Å²	87.7	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-63.4	-46.7	-178.7	-173.1	171.2	-175.6	0	0	111.8	W520 H526 M527 A528	W520-E524 PolarHBondContact NE1-OE2 2.8Å; W520-E524 WeakPolarHBondContact O-CB 3.42Å; W520-E524 PolarHBondContact O-N 2.83Å; E524-H526 PolarHBondContact O-N 3.14Å; E524-M527 WeakPolarHBondContact O-CB 3.48Å; E524-M527 PolarHBondContact O-N 2.86Å; E524-A528 PolarHBondContact O-N 3.18Å
525	K	55.8	Low	48.9	Very low	150 Å²	150	91.8 Å²	91.8	65%	0.652	48%	0.477	S	S	*	.	H	α-helix	trans	-62.6	-22.6	170.8	-75.5	170.4	-176.8	163.5	0	113.7	H521	H521-K525 WeakPolarHBondContact O-CB 3.5Å; H521-K525 WeakPolarHBondContact O-CD 3.48Å; H521-K525 VanDerWaalsContact O-CG 3.31Å; H521-K525 WeakPolarHBondContact O-CG 3.25Å; H521-K525 PolarHBondContact O-N 3.11Å
526	H	58.8	Low	49.2	Very low	34 Å²	34	90.7 Å²	90.7	16%	0.157	48%	0.48	C	S	.	.	H	α-helix	trans	-85	-33	171.9	176.8	71.2	0	0	0	112.3	C510 C513 F517 L522 L523 E524 A528 V529 H530	C510-H526 PolarHBondContact SG-CD2 2.87Å; C510-H526 PolarHBondContact SG-NE2 2.93Å; C510-H526 VanDerWaalsContact SG-NE2 3.37Å; C513-H526 PolarHBondContact SG-NE2 3.12Å; F517-H526 HydrophobicContact CE1-CB 3.98Å; F517-H526 AromaticContact CE1-CG 3.98Å; F517-H526 HydrophobicContact CE2-CB 4.16Å; F517-H526 AromaticContact CE2-CD2 3.44Å; F517-H526 VanDerWaalsContact CE2-CD2 3.44Å; F517-H526 WeakPolarHBondContact CE2-CD2 3.4Å; F517-H526 AromaticContact CE2-CG 3.73Å; F517-H526 AromaticContact CE2-NE2 3.99Å; F517-H526 HydrophobicContact CZ-CB 3.74Å; F517-H526 AromaticContact CZ-CD2 3.45Å; F517-H526 VanDerWaalsContact CZ-CD2 3.45Å; F517-H526 WeakPolarHBondContact CZ-CD2 3.41Å; F517-H526 AromaticContact CZ-CE1 3.97Å; F517-H526 AromaticContact CZ-CG 3.28Å; F517-H526 AromaticContact CZ-ND1 3.64Å; F517-H526 AromaticContact CZ-NE2 3.88Å; L522-H526 WeakPolarHBondContact O-CB 3.32Å; L522-H526 PolarHBondContact O-N 3.07Å; L523-H526 CarbonylContact O-C 3.52Å; L523-H526 WeakPolarHBondContact O-CA 3.38Å; L523-H526 WeakPolarHBondContact O-CB 3.26Å; L523-H526 PolarHBondContact O-N 3.21Å; E524-H526 PolarHBondContact O-N 3.14Å; H526-A528 VanDerWaalsContact C-N 3.3Å; H526-A528 PolarHBondContact O-N 3.43Å; H526-V529 VanDerWaalsContact O-CB 3.28Å; H526-V529 WeakPolarHBondContact O-CB 3.24Å; H526-V529 PolarHBondContact O-N 2.89Å; H526-H530 AromaticContact CD2-NE2 3.72Å; H526-H530 AromaticContact CE1-NE2 3.45Å; H526-H530 PolarHBondContact CE1-NE2 3.14Å; H526-H530 AromaticContact NE2-CD2 3.92Å; H526-H530 AromaticContact NE2-NE2 3.02Å; H526-H530 PolarHBondContact NE2-NE2 2.67Å; H526-H530 PolarHBondContact O-CD2 2.91Å; H526-H530 VanDerWaalsContact O-CD2 3.23Å
527	M	54.6	Low	49.8	Very low	52 Å²	52	91.1 Å²	91.1	26%	0.256	48%	0.476	S	S	.	.	H	α-helix	trans	-64.7	-36.6	173	-67.2	-96.7	50.9	0	0	110.8	V512 L523 E524 V529 H530 Q531	V512-M527 HydrophobicContact CG2-CE 3.88Å; L523-M527 HydrophobicContact CD1-CG 3.87Å; L523-M527 HydrophobicContact CD1-SD 4.38Å; L523-M527 HydrophobicContact CG-CG 4.06Å; L523-M527 WeakPolarHBondContact O-CG 3.06Å; L523-M527 PolarHBondContact O-N 3.25Å; E524-M527 WeakPolarHBondContact O-CB 3.48Å; E524-M527 PolarHBondContact O-N 2.86Å; M527-V529 PolarHBondContact O-N 2.89Å; M527-H530 HydrophobicContact CE-CB 4.34Å; M527-H530 CarbonylContact O-C 3.6Å; M527-H530 WeakPolarHBondContact O-CA 3.38Å; M527-H530 PolarHBondContact O-N 3.49Å; M527-Q531 WeakPolarHBondContact O-CB 3.46Å; M527-Q531 PolarHBondContact O-N 3.26Å
528	A	61.9	Low	50.1	Low	64 Å²	64	92.1 Å²	92.1	53%	0.529	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.9	169.8	0	0	0	0	0	114.9	E524 H526	E524-A528 PolarHBondContact O-N 3.18Å; H526-A528 VanDerWaalsContact C-N 3.3Å; H526-A528 PolarHBondContact O-N 3.43Å
529	V	56	Low	50.7	Low	104 Å²	104	93.3 Å²	93.3	63%	0.63	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.7	171.8	-173.7	0	0	0	0	111.8	H526 M527	H526-V529 VanDerWaalsContact O-CB 3.28Å; H526-V529 WeakPolarHBondContact O-CB 3.24Å; H526-V529 PolarHBondContact O-N 2.89Å; M527-V529 PolarHBondContact O-N 2.89Å
530	H	55.4	Low	51.3	Low	57 Å²	57	90.1 Å²	90.1	26%	0.264	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-21.8	175	-52.5	-77.8	0	0	0	112.4	V512 H526 M527 S532	V512-H530 WeakPolarHBondContact CG1-ND1 3.44Å; V512-H530 HydrophobicContact CG2-CB 4.41Å; H526-H530 AromaticContact CD2-NE2 3.72Å; H526-H530 AromaticContact CE1-NE2 3.45Å; H526-H530 PolarHBondContact CE1-NE2 3.14Å; H526-H530 AromaticContact NE2-CD2 3.92Å; H526-H530 AromaticContact NE2-NE2 3.02Å; H526-H530 PolarHBondContact NE2-NE2 2.67Å; H526-H530 PolarHBondContact O-CD2 2.91Å; H526-H530 VanDerWaalsContact O-CD2 3.23Å; M527-H530 HydrophobicContact CE-CB 4.34Å; M527-H530 CarbonylContact O-C 3.6Å; M527-H530 WeakPolarHBondContact O-CA 3.38Å; M527-H530 PolarHBondContact O-N 3.49Å; H530-S532 PolarHBondContact O-N 3.18Å
531	Q	51.2	Low	51.7	Low	159 Å²	159	92 Å²	92	74%	0.743	48%	0.478	S	S	*	.			trans	-80.6	31.6	-173.7	-154.2	171.4	14.2	0	0	114.2	M527	M527-Q531 WeakPolarHBondContact O-CB 3.46Å; M527-Q531 PolarHBondContact O-N 3.26Å
532	S	46.8	Very low	52.4	Low	80 Å²	80	92.7 Å²	92.7	56%	0.559	49%	0.485	S	S	*	.			trans	-101.7	69.5	165.5	63.8	0	0	0	0	109.1	H530	H530-S532 PolarHBondContact O-N 3.18Å
533	L	43.6	Very low	52.9	Low	127 Å²	127	90.5 Å²	90.5	67%	0.665	48%	0.477	S	S	*	.			trans	-88.8	132.9	176.3	-135.6	76.6	0	0	0	109.7
534	E	41.6	Very low	52.8	Low	146 Å²	146	94.7 Å²	94.7	68%	0.682	51%	0.508	S	S	*	.	S	Bend	trans	52.6	144.7	177.1	-74.5	78.3	-112.2	0	0	120.1	A536	E534-A536 VanDerWaalsContact C-N 3.34Å; E534-A536 PolarHBondContact O-N 3.41Å
535	D	43.3	Very low	52.7	Low	170 Å²	170	95.3 Å²	95.3	91%	0.909	51%	0.51	S	S	*	.	S	Bend	trans	50.9	16.9	160.2	-66.2	1	0	0	0	122.4
536	A	43.3	Very low	52.7	Low	63 Å²	63	91.1 Å²	91.1	52%	0.521	50%	0.5	S	S	.	.			trans	-102.9	60.7	162.3	0	0	0	0	0	113.2	E534 F538	E534-A536 VanDerWaalsContact C-N 3.34Å; E534-A536 PolarHBondContact O-N 3.41Å; A536-F538 HydrophobicContact CB-CE2 4.16Å; A536-F538 WeakPolarHBondContact O-CD2 3.38Å; A536-F538 WeakPolarHBondContact O-CE2 3.48Å; A536-F538 PolarHBondContact O-N 3.1Å; A536-F538 VanDerWaalsContact O-N 3.15Å
537	L	53.3	Low	52.9	Low	83 Å²	83	91.2 Å²	91.2	44%	0.435	50%	0.5	S	S	.	.			trans	-70.1	106	166.2	-77.2	-179.2	0	0	0	110	H539 K548	L537-H539 VanDerWaalsContact CB-CE1 3.47Å; L537-H539 WeakPolarHBondContact CB-CE1 3.5Å; L537-H539 PolarHBondContact O-CE1 3.28Å; L537-H539 PolarHBondContact O-N 3.49Å; L537-H539 VanDerWaalsContact O-N 3.13Å; L537-H539 PolarHBondContact O-ND1 3.15Å; L537-K548 HydrophobicContact CD2-CG 4.05Å
538	F	52.7	Low	52.4	Low	60 Å²	60	97.6 Å²	97.6	26%	0.263	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	104.9	176	-66.8	-92.9	0	0	0	109.7	A536 F547 E550 Y553	A536-F538 HydrophobicContact CB-CE2 4.16Å; A536-F538 WeakPolarHBondContact O-CD2 3.38Å; A536-F538 WeakPolarHBondContact O-CE2 3.48Å; A536-F538 PolarHBondContact O-N 3.1Å; A536-F538 VanDerWaalsContact O-N 3.15Å; F538-F547 HydrophobicContact CB-CB 4.34Å; F538-F547 PolarHBondContact N-O 3.12Å; F538-F547 VanDerWaalsContact N-O 3.07Å; F538-F547 WeakPolarHBondContact O-CD2 3.41Å; F538-F547 PolarHBondContact O-N 3.37Å; F538-E550 HydrophobicContact CD1-CB 4.41Å; F538-E550 HydrophobicContact CD1-CG 4.1Å; F538-E550 HydrophobicContact CD2-CB 4.37Å; F538-E550 HydrophobicContact CE1-CB 3.88Å; F538-E550 HydrophobicContact CE1-CG 3.65Å; F538-E550 HydrophobicContact CE2-CB 3.85Å; F538-E550 HydrophobicContact CZ-CB 3.58Å; F538-E550 HydrophobicContact CZ-CG 3.9Å; F538-Y553 HydrophobicContact CB-CD1 3.96Å; F538-Y553 HydrophobicContact CB-CD2 3.76Å; F538-Y553 HydrophobicContact CB-CE2 4.43Å; F538-Y553 HydrophobicContact CB-CG 3.5Å; F538-Y553 VanDerWaalsContact CB-CG 3.5Å; F538-Y553 AromaticContact CD1-CD1 3.83Å; F538-Y553 HydrophobicContact CD1-CD1 3.83Å; F538-Y553 HydrophobicContact CD1-CE1 4.3Å; F538-Y553 HydrophobicContact CD1-CG 4.25Å; F538-Y553 HydrophobicContact CG-CD1 4.19Å; F538-Y553 HydrophobicContact CG-CG 4.13Å
539	H	53	Low	52	Low	97 Å²	97	96.8 Å²	96.8	45%	0.449	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.4	-178.6	-69.4	86.9	0	0	0	111.6	L537 H541 Q545 Y553	L537-H539 VanDerWaalsContact CB-CE1 3.47Å; L537-H539 WeakPolarHBondContact CB-CE1 3.5Å; L537-H539 PolarHBondContact O-CE1 3.28Å; L537-H539 PolarHBondContact O-N 3.49Å; L537-H539 VanDerWaalsContact O-N 3.13Å; L537-H539 PolarHBondContact O-ND1 3.15Å; H539-H541 PolarHBondContact O-N 3.24Å; H539-Q545 WeakPolarHBondContact CA-O 3.35Å; H539-Y553 WeakPolarHBondContact O-CE2 3.5Å
540	C	55.3	Low	51.9	Low	3 Å²	3	95.9 Å²	95.9	2%	0.02	51%	0.506	C	S	.	.			trans	-80.7	107.1	174.3	-171	0	0	0	0	111.6	L542 C543 S544 Q545 F547 Y553 H556 H560	C540-L542 PolarHBondContact O-N 2.93Å; C540-C543 PolarHBondContact O-N 2.75Å; C540-S544 WeakPolarHBondContact O-CA 3.49Å; C540-S544 PolarHBondContact O-N 3.08Å; C540-Q545 PolarHBondContact N-O 2.83Å; C540-F547 HydrophobicContact CB-CE2 4.4Å; C540-Y553 HydrophobicContact CB-CE2 4.4Å; C540-H556 WeakPolarHBondContact CB-NE2 3.5Å; C540-H560 VanDerWaalsContact SG-CD2 3.53Å; C540-H560 PolarHBondContact SG-NE2 2.63Å
541	H	54.1	Low	52.1	Low	172 Å²	172	97 Å²	97	80%	0.796	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-7.1	176.6	-53.9	-66	0	0	0	115.4	H539	H539-H541 PolarHBondContact O-N 3.24Å
542	L	60	Low	52.6	Low	125 Å²	125	91.1 Å²	91.1	65%	0.654	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-15.7	177.5	-60.2	174.8	0	0	0	114.2	C540 H560	C540-L542 PolarHBondContact O-N 2.93Å; L542-H560 HydrophobicContact CD1-CB 3.67Å
543	C	60.7	Low	53.6	Low	49 Å²	49	89.2 Å²	89.2	33%	0.331	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.5	13.8	178.8	72.2	0	0	0	0	115.3	C540 Q545 H556 H560	C540-C543 PolarHBondContact O-N 2.75Å; C543-Q545 PolarHBondContact O-N 3.02Å; C543-H556 VanDerWaalsContact SG-CE1 3.56Å; C543-H556 PolarHBondContact SG-NE2 3.5Å; C543-H560 PolarHBondContact SG-CE1 3.43Å; C543-H560 PolarHBondContact SG-NE2 3.17Å
544	S	53.3	Low	54.7	Low	101 Å²	101	90.7 Å²	90.7	71%	0.706	48%	0.481	S	S	*	.			trans	57.5	5.3	177.9	-54	0	0	0	0	117.4	C540	C540-S544 WeakPolarHBondContact O-CA 3.49Å; C540-S544 PolarHBondContact O-N 3.08Å
545	Q	52.4	Low	55.9	Low	106 Å²	106	91.1 Å²	91.1	50%	0.495	48%	0.478	S	S	.	.			trans	-65.9	136	175.2	-69.1	-176.8	11.2	0	0	111.5	H539 C540 C543 F547 H556	H539-Q545 WeakPolarHBondContact CA-O 3.35Å; C540-Q545 PolarHBondContact N-O 2.83Å; C543-Q545 PolarHBondContact O-N 3.02Å; Q545-F547 HydrophobicContact CB-CE2 3.58Å; Q545-F547 HydrophobicContact CB-CZ 3.73Å; Q545-F547 WeakPolarHBondContact O-CD2 3.37Å; Q545-F547 WeakPolarHBondContact O-CE2 3.47Å; Q545-H556 PolarHBondContact OE1-CE1 3.02Å
546	S	54.8	Low	57.3	Low	62 Å²	62	84.1 Å²	84.1	43%	0.434	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.5	-178.6	58.9	0	0	0	0	111.7
547	F	64.2	Low	58.2	Low	35 Å²	35	83 Å²	83	15%	0.154	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.7	-173.7	-65.6	-83.6	0	0	0	111.7	F538 C540 Q545 S549 A552 Y553 H556	F538-F547 HydrophobicContact CB-CB 4.34Å; F538-F547 PolarHBondContact N-O 3.12Å; F538-F547 VanDerWaalsContact N-O 3.07Å; F538-F547 WeakPolarHBondContact O-CD2 3.41Å; F538-F547 PolarHBondContact O-N 3.37Å; C540-F547 HydrophobicContact CB-CE2 4.4Å; Q545-F547 HydrophobicContact CB-CE2 3.58Å; Q545-F547 HydrophobicContact CB-CZ 3.73Å; Q545-F547 WeakPolarHBondContact O-CD2 3.37Å; Q545-F547 WeakPolarHBondContact O-CE2 3.47Å; F547-S549 PolarHBondContact O-N 2.95Å; F547-A552 HydrophobicContact CD1-CB 4.11Å; F547-Y553 HydrophobicContact CD2-CD2 4.15Å; F547-H556 HydrophobicContact CE1-CB 3.99Å; F547-H556 HydrophobicContact CE2-CB 4Å; F547-H556 AromaticContact CE2-CD2 3.27Å; F547-H556 WeakPolarHBondContact CE2-CD2 3.46Å; F547-H556 AromaticContact CE2-CE1 3.94Å; F547-H556 AromaticContact CE2-CG 3.5Å; F547-H556 AromaticContact CE2-ND1 3.93Å; F547-H556 AromaticContact CE2-NE2 3.58Å; F547-H556 HydrophobicContact CZ-CB 3.69Å; F547-H556 AromaticContact CZ-CD2 3.52Å; F547-H556 AromaticContact CZ-CE1 3.59Å; F547-H556 AromaticContact CZ-CG 3.25Å; F547-H556 AromaticContact CZ-ND1 3.33Å; F547-H556 VanDerWaalsContact CZ-ND1 3.33Å; F547-H556 WeakPolarHBondContact CZ-ND1 3.46Å; F547-H556 AromaticContact CZ-NE2 3.72Å
548	K	43.9	Very low	58.7	Low	186 Å²	186	82 Å²	82	81%	0.809	43%	0.426	S	S	*	.	S	Bend	trans	-78	11	178.9	-58.2	-166.8	176.5	-163.7	0	114.5	L537	L537-K548 HydrophobicContact CD2-CG 4.05Å
549	S	53.8	Low	59	Low	48 Å²	48	83.9 Å²	83.9	34%	0.336	44%	0.436	S	S	.	.	S	Bend	trans	-159.5	143.4	170.8	66.7	0	0	0	0	111.4	F547 A551 A552 Y553	F547-S549 PolarHBondContact O-N 2.95Å; S549-A551 VanDerWaalsContact C-N 3.26Å; S549-A551 PolarHBondContact O-N 3.02Å; S549-A552 PolarHBondContact O-N 3.24Å; S549-A552 WeakPolarHBondContact OG-CB 3.37Å; S549-A552 PolarHBondContact OG-N 3.48Å; S549-Y553 PolarHBondContact O-N 3Å
550	E	53	Low	59.5	Low	84 Å²	84	81.5 Å²	81.5	39%	0.393	43%	0.425	S	S	.	.	H	α-helix	trans	-64	-33.9	-179.3	-163.8	178.9	158.1	0	0	111.8	F538 A552 Y553 R554	F538-E550 HydrophobicContact CD1-CB 4.41Å; F538-E550 HydrophobicContact CD1-CG 4.1Å; F538-E550 HydrophobicContact CD2-CB 4.37Å; F538-E550 HydrophobicContact CE1-CB 3.88Å; F538-E550 HydrophobicContact CE1-CG 3.65Å; F538-E550 HydrophobicContact CE2-CB 3.85Å; F538-E550 HydrophobicContact CZ-CB 3.58Å; F538-E550 HydrophobicContact CZ-CG 3.9Å; E550-A552 VanDerWaalsContact C-N 3.32Å; E550-A552 PolarHBondContact O-N 2.94Å; E550-Y553 HydrophobicContact CG-CD1 4.4Å; E550-Y553 WeakPolarHBondContact O-CB 3.39Å; E550-Y553 PolarHBondContact O-N 3.49Å; E550-R554 HydrophobicContact CG-CG 3.92Å; E550-R554 WeakPolarHBondContact O-CB 3.2Å; E550-R554 VanDerWaalsContact O-CG 3.23Å; E550-R554 WeakPolarHBondContact O-CG 3.46Å; E550-R554 PolarHBondContact O-N 3.12Å; E550-R554 IonicContact OE1-CZ 2.66Å; E550-R554 IonicContact OE1-NE 2.68Å; E550-R554 PolarHBondContact OE1-NE 3.44Å; E550-R554 IonicContact OE1-NH2 3.07Å; E550-R554 PolarHBondContact OE1-NH2 2.79Å
551	A	59.6	Low	59.3	Low	80 Å²	80	89.4 Å²	89.4	66%	0.661	46%	0.459	S	S	*	.	H	α-helix	trans	-60.1	-41	176	0	0	0	0	0	112.3	S549 Y555	S549-A551 VanDerWaalsContact C-N 3.26Å; S549-A551 PolarHBondContact O-N 3.02Å; A551-Y555 VanDerWaalsContact O-CB 3.32Å; A551-Y555 WeakPolarHBondContact O-CB 3.38Å; A551-Y555 PolarHBondContact O-N 3.33Å; A551-Y555 VanDerWaalsContact O-N 3.14Å
552	A	62.4	Low	58.7	Low	37 Å²	37	86.5 Å²	86.5	31%	0.306	46%	0.457	S	S	.	.	H	α-helix	trans	-69.7	-41.5	174.6	0	0	0	0	0	111.7	F547 S549 E550 Y555 H556	F547-A552 HydrophobicContact CD1-CB 4.11Å; S549-A552 PolarHBondContact O-N 3.24Å; S549-A552 WeakPolarHBondContact OG-CB 3.37Å; S549-A552 PolarHBondContact OG-N 3.48Å; E550-A552 VanDerWaalsContact C-N 3.32Å; E550-A552 PolarHBondContact O-N 2.94Å; A552-Y555 PolarHBondContact O-N 3.45Å; A552-H556 WeakPolarHBondContact O-CB 3.26Å; A552-H556 PolarHBondContact O-N 3.43Å
553	Y	68.4	Low	57.6	Low	39 Å²	39	85.7 Å²	85.7	15%	0.153	46%	0.457	C	S	.	.	H	α-helix	trans	-59.3	-51	175.3	172.1	-116.3	0	0	0	112.8	F538 H539 C540 F547 S549 E550 Y555 H556 V557	F538-Y553 HydrophobicContact CB-CD1 3.96Å; F538-Y553 HydrophobicContact CB-CD2 3.76Å; F538-Y553 HydrophobicContact CB-CE2 4.43Å; F538-Y553 HydrophobicContact CB-CG 3.5Å; F538-Y553 VanDerWaalsContact CB-CG 3.5Å; F538-Y553 AromaticContact CD1-CD1 3.83Å; F538-Y553 HydrophobicContact CD1-CD1 3.83Å; F538-Y553 HydrophobicContact CD1-CE1 4.3Å; F538-Y553 HydrophobicContact CD1-CG 4.25Å; F538-Y553 HydrophobicContact CG-CD1 4.19Å; F538-Y553 HydrophobicContact CG-CG 4.13Å; H539-Y553 WeakPolarHBondContact O-CE2 3.5Å; C540-Y553 HydrophobicContact CB-CE2 4.4Å; F547-Y553 HydrophobicContact CD2-CD2 4.15Å; S549-Y553 PolarHBondContact O-N 3Å; E550-Y553 HydrophobicContact CG-CD1 4.4Å; E550-Y553 WeakPolarHBondContact O-CB 3.39Å; E550-Y553 PolarHBondContact O-N 3.49Å; Y553-Y555 VanDerWaalsContact C-N 3.29Å; Y553-Y555 PolarHBondContact O-N 3.42Å; Y553-H556 PolarHBondContact O-N 3.2Å; Y553-H556 VanDerWaalsContact O-N 3.13Å; Y553-V557 HydrophobicContact CD2-CG2 3.87Å; Y553-V557 HydrophobicContact CE1-CG2 4.34Å; Y553-V557 HydrophobicContact CE2-CG2 3.43Å; Y553-V557 VanDerWaalsContact CE2-CG2 3.43Å; Y553-V557 HydrophobicContact CG-CG2 4.47Å; Y553-V557 WeakPolarHBondContact O-CG2 3.24Å; Y553-V557 PolarHBondContact O-N 3.4Å
554	R	66.5	Low	56	Low	158 Å²	158	89.4 Å²	89.4	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-61.9	-38.2	178.5	-64.7	-74.6	-174.8	176.5	0.8	111.1	E550 S558	E550-R554 HydrophobicContact CG-CG 3.92Å; E550-R554 WeakPolarHBondContact O-CB 3.2Å; E550-R554 VanDerWaalsContact O-CG 3.23Å; E550-R554 WeakPolarHBondContact O-CG 3.46Å; E550-R554 PolarHBondContact O-N 3.12Å; E550-R554 IonicContact OE1-CZ 2.66Å; E550-R554 IonicContact OE1-NE 2.68Å; E550-R554 PolarHBondContact OE1-NE 3.44Å; E550-R554 IonicContact OE1-NH2 3.07Å; E550-R554 PolarHBondContact OE1-NH2 2.79Å; R554-S558 WeakPolarHBondContact O-CB 3.41Å; R554-S558 PolarHBondContact O-N 3.16Å
555	Y	66.9	Low	55.2	Low	155 Å²	155	87.8 Å²	87.8	61%	0.608	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-39.7	173.5	-179.4	-113	0	0	0	112.7	A551 A552 Y553 S558 Q559	A551-Y555 VanDerWaalsContact O-CB 3.32Å; A551-Y555 WeakPolarHBondContact O-CB 3.38Å; A551-Y555 PolarHBondContact O-N 3.33Å; A551-Y555 VanDerWaalsContact O-N 3.14Å; A552-Y555 PolarHBondContact O-N 3.45Å; Y553-Y555 VanDerWaalsContact C-N 3.29Å; Y553-Y555 PolarHBondContact O-N 3.42Å; Y555-S558 PolarHBondContact O-N 2.92Å; Y555-S558 PolarHBondContact O-OG 3.13Å; Y555-Q559 VanDerWaalsContact CD1-NE2 3.35Å; Y555-Q559 VanDerWaalsContact CE1-NE2 3.26Å; Y555-Q559 PolarHBondContact O-N 3.5Å; Y555-Q559 PolarHBondContact O-NE2 3.02Å
556	H	71.3	Confident	54.3	Low	23 Å²	23	90.3 Å²	90.3	11%	0.106	50%	0.499	C	S	.	.	H	α-helix	trans	-68.5	-47.4	175.6	172.4	85.4	0	0	0	112.5	C540 C543 Q545 F547 A552 Y553 S558 Q559 H560	C540-H556 WeakPolarHBondContact CB-NE2 3.5Å; C543-H556 VanDerWaalsContact SG-CE1 3.56Å; C543-H556 PolarHBondContact SG-NE2 3.5Å; Q545-H556 PolarHBondContact OE1-CE1 3.02Å; F547-H556 HydrophobicContact CE1-CB 3.99Å; F547-H556 HydrophobicContact CE2-CB 4Å; F547-H556 AromaticContact CE2-CD2 3.27Å; F547-H556 WeakPolarHBondContact CE2-CD2 3.46Å; F547-H556 AromaticContact CE2-CE1 3.94Å; F547-H556 AromaticContact CE2-CG 3.5Å; F547-H556 AromaticContact CE2-ND1 3.93Å; F547-H556 AromaticContact CE2-NE2 3.58Å; F547-H556 HydrophobicContact CZ-CB 3.69Å; F547-H556 AromaticContact CZ-CD2 3.52Å; F547-H556 AromaticContact CZ-CE1 3.59Å; F547-H556 AromaticContact CZ-CG 3.25Å; F547-H556 AromaticContact CZ-ND1 3.33Å; F547-H556 VanDerWaalsContact CZ-ND1 3.33Å; F547-H556 WeakPolarHBondContact CZ-ND1 3.46Å; F547-H556 AromaticContact CZ-NE2 3.72Å; A552-H556 WeakPolarHBondContact O-CB 3.26Å; A552-H556 PolarHBondContact O-N 3.43Å; Y553-H556 PolarHBondContact O-N 3.2Å; Y553-H556 VanDerWaalsContact O-N 3.13Å; H556-S558 PolarHBondContact O-N 3.42Å; H556-Q559 WeakPolarHBondContact O-CB 3.24Å; H556-Q559 PolarHBondContact O-N 3.3Å; H556-H560 AromaticContact CD2-CD2 3.83Å; H556-H560 AromaticContact CD2-NE2 3.64Å; H556-H560 AromaticContact CE1-NE2 3.32Å; H556-H560 PolarHBondContact CE1-NE2 2.9Å; H556-H560 VanDerWaalsContact CE1-NE2 3.32Å; H556-H560 AromaticContact NE2-CD2 3.6Å; H556-H560 AromaticContact NE2-NE2 2.92Å; H556-H560 PolarHBondContact NE2-NE2 2.9Å; H556-H560 PolarHBondContact O-CD2 3.22Å; H556-H560 PolarHBondContact O-N 3.1Å
557	V	63.2	Low	53	Low	40 Å²	40	94.7 Å²	94.7	24%	0.242	52%	0.517	C	S	.	.	H	α-helix	trans	-61.1	-30.2	173.8	174.4	0	0	0	0	111.7	Y553 Q559	Y553-V557 HydrophobicContact CD2-CG2 3.87Å; Y553-V557 HydrophobicContact CE1-CG2 4.34Å; Y553-V557 HydrophobicContact CE2-CG2 3.43Å; Y553-V557 VanDerWaalsContact CE2-CG2 3.43Å; Y553-V557 HydrophobicContact CG-CG2 4.47Å; Y553-V557 WeakPolarHBondContact O-CG2 3.24Å; Y553-V557 PolarHBondContact O-N 3.4Å; V557-Q559 VanDerWaalsContact C-N 3.27Å; V557-Q559 PolarHBondContact O-N 2.79Å
558	S	63.6	Low	51.1	Low	63 Å²	63	98.1 Å²	98.1	44%	0.441	55%	0.552	S	S	.	*	H	α-helix	trans	-69.3	-20.4	172.6	79.7	0	0	0	0	114.4	R554 Y555 H556	R554-S558 WeakPolarHBondContact O-CB 3.41Å; R554-S558 PolarHBondContact O-N 3.16Å; Y555-S558 PolarHBondContact O-N 2.92Å; Y555-S558 PolarHBondContact O-OG 3.13Å; H556-S558 PolarHBondContact O-N 3.42Å
559	Q	59.6	Low	50.2	Low	99 Å²	99	99.2 Å²	99.2	46%	0.463	55%	0.551	S	S	.	*	H	α-helix	trans	-82.2	-37.3	175.7	-72.9	162.7	83.7	0	0	112.3	Y555 H556 V557 K561 C562	Y555-Q559 VanDerWaalsContact CD1-NE2 3.35Å; Y555-Q559 VanDerWaalsContact CE1-NE2 3.26Å; Y555-Q559 PolarHBondContact O-N 3.5Å; Y555-Q559 PolarHBondContact O-NE2 3.02Å; H556-Q559 WeakPolarHBondContact O-CB 3.24Å; H556-Q559 PolarHBondContact O-N 3.3Å; V557-Q559 VanDerWaalsContact C-N 3.27Å; V557-Q559 PolarHBondContact O-N 2.79Å; Q559-K561 PolarHBondContact O-N 3Å; Q559-K561 VanDerWaalsContact O-N 3.16Å; Q559-C562 PolarHBondContact O-N 3.21Å
560	H	61.8	Low	49.3	Very low	47 Å²	47	102.8 Å²	102.8	22%	0.218	57%	0.573	C	S	.	*	H	α-helix	trans	-57.1	-28.7	172.9	-74.2	-68.5	0	0	0	113.2	C540 L542 C543 H556 C562 T563	C540-H560 VanDerWaalsContact SG-CD2 3.53Å; C540-H560 PolarHBondContact SG-NE2 2.63Å; L542-H560 HydrophobicContact CD1-CB 3.67Å; C543-H560 PolarHBondContact SG-CE1 3.43Å; C543-H560 PolarHBondContact SG-NE2 3.17Å; H556-H560 AromaticContact CD2-CD2 3.83Å; H556-H560 AromaticContact CD2-NE2 3.64Å; H556-H560 AromaticContact CE1-NE2 3.32Å; H556-H560 PolarHBondContact CE1-NE2 2.9Å; H556-H560 VanDerWaalsContact CE1-NE2 3.32Å; H556-H560 AromaticContact NE2-CD2 3.6Å; H556-H560 AromaticContact NE2-NE2 2.92Å; H556-H560 PolarHBondContact NE2-NE2 2.9Å; H556-H560 PolarHBondContact O-CD2 3.22Å; H556-H560 PolarHBondContact O-N 3.1Å; H560-C562 PolarHBondContact O-N 3.27Å; H560-T563 PolarHBondContact O-N 3.46Å
561	K	52.3	Low	48	Very low	169 Å²	169	101 Å²	101	74%	0.735	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	4.1	175.5	-71.5	-161.5	171.3	-165.1	0	115.3	Q559	Q559-K561 PolarHBondContact O-N 3Å; Q559-K561 VanDerWaalsContact O-N 3.16Å
562	C	41.2	Very low	46.3	Very low	111 Å²	111	107 Å²	107	75%	0.75	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	5.3	173.8	-70.5	0	0	0	0	114.4	Q559 H560	Q559-C562 PolarHBondContact O-N 3.21Å; H560-C562 PolarHBondContact O-N 3.27Å
563	T	36.4	Very low	44.4	Very low	108 Å²	108	108.3 Å²	108.3	66%	0.663	61%	0.606	S	S	*	*	S	Bend	trans	-139	60.1	-178.8	53.3	0	0	0	0	113.4	H560	H560-T563 PolarHBondContact O-N 3.46Å
564	S	27.9	Very low	42.4	Very low	126 Å²	126	114.1 Å²	114.1	88%	0.881	64%	0.639	S	S	*	*			trans	-170.7	145.4	153.8	-97.7	0	0	0	0	109.7
565	G	35.3	Very low	40.3	Very low	68 Å²	68	115.2 Å²	115.2	70%	0.701	65%	0.651	S	S	*	*			trans	-105.6	173.1	172.9	0	0	0	0	0	112.6
566	L	34.1	Very low	38.5	Very low	159 Å²	159	116 Å²	116	83%	0.832	66%	0.66	S	S	*	*			trans	77.2	107.9	168.9	-53.2	-179.7	0	0	0	118.3
567	D	27	Very low	36.6	Very low	153 Å²	153	120.4 Å²	120.4	82%	0.818	69%	0.691	S	S	*	*			trans	80.8	161.1	134.2	-63.9	-45.4	0	0	0	124.3
568	A	25.4	Very low	34.7	Very low	107 Å²	107	122.1 Å²	122.1	88%	0.884	71%	0.709	S	S	*	*			trans	76.4	118	173	0	0	0	0	0	120.2
569	R	25.3	Very low	33	Very low	209 Å²	209	126.5 Å²	126.5	79%	0.789	73%	0.727	S	S	*	*			trans	-127	144.4	162.2	-161.5	-151.9	174.2	179	-1	106.5
570	P	33.8	Very low	31.4	Very low	123 Å²	123	130 Å²	130	80%	0.799	74%	0.743	S	S	*	*				-123.4	172.6	90.6	-0.5	23.2	0	0	0	111
571	G	25.2	Very low	29.8	Very low	48 Å²	48	137.4 Å²	137.4	50%	0.495	78%	0.775	S	S	.	*			cis	120.7	135.4	30.5	0	0	0	0	0	107.7
572	F	25.2	Very low	28.4	Very low	205 Å²	205	141.1 Å²	141.1	90%	0.899	78%	0.784	S	S	*	*			cis	-114.7	-112.1	11.6	-61.3	-90.8	0	0	0	112
573	G	22.2	Very low	27.7	Very low	64 Å²	64	144.4 Å²	144.4	66%	0.66	79%	0.785	S	S	*	*			cis	172.6	136.6	-13.4	0	0	0	0	0	114.4
574	L	25.5	Very low	27.5	Very low	162 Å²	162	145 Å²	145	85%	0.848	78%	0.784	S	S	*	*			trans	52.8	146.1	161	-54.7	177.4	0	0	0	121.2
575	Q	23	Very low	27.7	Very low	180 Å²	180	144.5 Å²	144.5	84%	0.841	78%	0.778	S	S	*	*			cis	-158.9	152.7	-36.2	-151.6	164.7	23.4	0	0	109.6
576	H	28.8	Very low	27.4	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.796	78%	0.779	S	S	*	*			trans	-104.7	151.9	177.3	-113.5	-53.6	0	0	0	111.6
577	P	31.9	Very low	27.3	Very low	115 Å²	115	143.8 Å²	143.8	75%	0.747	77%	0.767	S	S	*	*				-120.6	162.7	100.9	-6.5	27.9	0	0	0	112.3
578	A	24.2	Very low	27.4	Very low	76 Å²	76	144.3 Å²	144.3	63%	0.628	76%	0.764	S	S	*	*			cis	73.9	111.6	19.6	0	0	0	0	0	113.7
579	L	26.2	Very low	27.5	Very low	155 Å²	155	148.1 Å²	148.1	81%	0.812	76%	0.762	S	S	*	*				-162.5	-179.6	58.5	-76.5	158.4	0	0	0	108.5
580	Q	26.4	Very low	27.7	Very low	173 Å²	173	146.3 Å²	146.3	81%	0.808	77%	0.766	S	S	*	*			cis	-154.5	166.7	13.1	-144.6	159.8	58.7	0	0	110.6
581	K	29.4	Very low	27.6	Very low	203 Å²	203	145.9 Å²	145.9	88%	0.883	77%	0.767	S	S	*	*			trans	-108.9	160.9	178.7	-69.1	-177	178	-178.9	0	112.5
582	R	23.1	Very low	27.9	Very low	247 Å²	247	151.2 Å²	151.2	93%	0.932	78%	0.778	S	S	*	*			trans	-127.5	140.1	151	-161.7	166.3	-176.1	151.1	1.1	110.2
583	K	26.6	Very low	28.2	Very low	179 Å²	179	150.9 Å²	150.9	78%	0.778	78%	0.78	S	S	*	*			trans	-80.6	147.4	179.1	-84	-170.7	174	-169.4	0	110.5
584	L	31.3	Very low	28.8	Very low	120 Å²	120	154.3 Å²	154.3	63%	0.628	78%	0.782	S	S	*	*				55.5	144.3	72.9	-73.3	172.6	0	0	0	112.4
585	P	32.9	Very low	29	Very low	117 Å²	117	151.2 Å²	151.2	76%	0.76	78%	0.78	S	S	*	*			cis	-102	-178	26.1	41.9	-35.5	0	0	0	113.2	E587	P585-E587 WeakPolarHBondContact CA-OE2 3.35Å
586	A	28.7	Very low	29.5	Very low	87 Å²	87	149.9 Å²	149.9	72%	0.719	78%	0.778	S	S	*	*			cis	-141.4	176.4	20.7	0	0	0	0	0	115.7
587	E	31.7	Very low	29.7	Very low	124 Å²	124	151.1 Å²	151.1	58%	0.579	78%	0.784	S	S	*	*			trans	-119.3	-166.6	-157.6	-23.7	-59.3	-39.1	0	0	110.3	P585	P585-E587 WeakPolarHBondContact CA-OE2 3.35Å
588	E	28.4	Very low	29.6	Very low	164 Å²	164	149.4 Å²	149.4	77%	0.766	79%	0.788	S	S	*	*			cis	-154.1	-165	10.4	-143.4	168.8	-155	0	0	113
589	F	29	Very low	30.1	Very low	188 Å²	188	155 Å²	155	83%	0.825	80%	0.801	S	S	*	*	S	Bend	trans	87.5	31.4	-175.9	-62.3	-64.3	0	0	0	118.6
590	L	28.8	Very low	31	Very low	170 Å²	170	153 Å²	153	89%	0.89	80%	0.797	S	S	*	*			trans	-128.2	83.4	151.1	-74.2	177.6	0	0	0	110.5	E592	L590-E592 PolarHBondContact O-N 3.22Å
591	S	31.8	Very low	31.7	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	79%	0.788	S	S	*	*			trans	-72.1	118.7	172.4	-47.1	0	0	0	0	110.5
592	E	31.7	Very low	32.6	Very low	159 Å²	159	145 Å²	145	74%	0.743	78%	0.784	S	S	*	*			trans	-109.5	109.6	178.5	-178.1	174.6	167.7	0	0	109.6	L590 L594	L590-E592 PolarHBondContact O-N 3.22Å; E592-L594 HydrophobicContact CG-CG 4.39Å; E592-L594 WeakPolarHBondContact OE1-CD1 3.4Å
593	E	30.9	Very low	34	Very low	198 Å²	198	134.8 Å²	134.8	93%	0.925	75%	0.75	S	S	*	*			trans	-95.9	114.2	167.2	-84.6	-162	117.4	0	0	110.6	A595	E593-A595 PolarHBondContact O-N 3.07Å
594	L	34.7	Very low	36.2	Very low	136 Å²	136	134.2 Å²	134.2	71%	0.712	75%	0.748	S	S	*	*			trans	-95	81.2	175.2	-91.8	161.9	0	0	0	110.9	E592 L596	E592-L594 HydrophobicContact CG-CG 4.39Å; E592-L594 WeakPolarHBondContact OE1-CD1 3.4Å; L594-L596 PolarHBondContact O-N 2.83Å
595	A	29.9	Very low	38.2	Very low	98 Å²	98	132.4 Å²	132.4	81%	0.81	73%	0.733	S	S	*	*			trans	-76.5	116.4	162	0	0	0	0	0	109.8	E593	E593-A595 PolarHBondContact O-N 3.07Å
596	L	33.8	Very low	40.4	Very low	152 Å²	152	129.6 Å²	129.6	80%	0.796	72%	0.716	S	S	*	*			trans	-82.2	117.3	-179	-75.8	166.7	0	0	0	112.1	L594	L594-L596 PolarHBondContact O-N 2.83Å
597	Q	32.3	Very low	42.8	Very low	197 Å²	197	125.8 Å²	125.8	92%	0.921	68%	0.684	S	S	*	*				171.7	152.7	122.8	-93.3	166	78.8	0	0	112.3
598	G	29.8	Very low	44.9	Very low	80 Å²	80	129.9 Å²	129.9	83%	0.825	70%	0.7	S	S	*	*			trans	103.5	110.3	171.8	0	0	0	0	0	115.7
599	Q	34.2	Very low	47	Very low	193 Å²	193	127.1 Å²	127.1	90%	0.902	69%	0.694	S	S	*	*			trans	-102.8	168.5	162.7	-79.1	-164.6	8.6	0	0	109.9
600	P	46.4	Very low	49.2	Very low	113 Å²	113	120.8 Å²	120.8	73%	0.734	67%	0.673	S	S	*	*			cis	-122.8	163.3	-2.7	38.6	-25.4	0	0	0	114.2
601	G	41.3	Very low	51.3	Low	60 Å²	60	115.4 Å²	115.4	62%	0.619	66%	0.658	S	S	*	*			trans	155.6	113.8	166.9	0	0	0	0	0	113.3	S603	G601-S603 PolarHBondContact O-N 2.94Å
602	N	48.3	Very low	53.3	Low	148 Å²	148	112.2 Å²	112.2	79%	0.791	63%	0.63	S	S	*	*			trans	-72.2	33.4	-166.9	-72.4	-20.9	0	0	0	116.1	K604	N602-K604 PolarHBondContact O-N 3.48Å
603	S	52.3	Low	55.5	Low	33 Å²	33	112.3 Å²	112.3	23%	0.231	62%	0.623	C	S	.	*			trans	-86.9	85.8	179.1	65.5	0	0	0	0	112.5	G601 R613 F614	G601-S603 PolarHBondContact O-N 2.94Å; S603-R613 PolarHBondContact O-NH2 3.48Å; S603-R613 PolarHBondContact OG-NE 2.83Å; S603-F614 CarbonylContact C-O 3.58Å; S603-F614 VanDerWaalsContact CA-O 3.23Å; S603-F614 WeakPolarHBondContact CA-O 3.46Å
604	K	71.8	Confident	57.8	Low	167 Å²	167	104.1 Å²	104.1	73%	0.726	59%	0.585	S	S	*	*			trans	-77.3	-13.9	-178	-68.8	-171.3	177.1	-173	0	114.7	N602 F614	N602-K604 PolarHBondContact O-N 3.48Å; K604-F614 PolarHBondContact N-O 3.16Å
605	Y	73.6	Confident	59.7	Low	81 Å²	81	99.6 Å²	99.6	32%	0.318	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	-171.1	-51.3	-72	0	0	0	111.4	R613 F614 T617 F620	Y605-R613 CarbonylContact O-C 3.56Å; Y605-R613 WeakPolarHBondContact O-CA 3.46Å; Y605-F614 PolarHBondContact N-O 3.44Å; Y605-F614 PolarHBondContact O-N 2.89Å; Y605-T617 HydrophobicContact CD1-CG2 4.24Å; Y605-T617 HydrophobicContact CD2-CG2 4.19Å; Y605-T617 HydrophobicContact CE1-CG2 3.62Å; Y605-T617 HydrophobicContact CE2-CG2 3.57Å; Y605-T617 WeakPolarHBondContact OH-CG2 3.3Å; Y605-F620 HydrophobicContact CG-CB 4.38Å; Y605-F620 HydrophobicContact CG-CD1 4.47Å
606	S	78.6	Confident	62	Low	58 Å²	58	100.2 Å²	100.2	41%	0.406	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	140.5	-179.8	58.8	0	0	0	0	112	K608 K612 F620	S606-K608 PolarHBondContact O-N 3.38Å; S606-K612 WeakPolarHBondContact CA-O 3.38Å; S606-F620 VanDerWaalsContact O-CE2 3.28Å; S606-F620 WeakPolarHBondContact O-CE2 3.4Å
607	C	79.9	Confident	64.1	Low	7 Å²	7	96.3 Å²	96.3	5%	0.047	54%	0.536	C	S	.	.			trans	-86.3	110.5	175.2	-169.2	0	0	0	0	111.1	V609 C610 G611 K612 F620 H623 H627	C607-V609 PolarHBondContact O-N 3.41Å; C607-V609 VanDerWaalsContact O-N 3.12Å; C607-C610 PolarHBondContact O-N 3.12Å; C607-G611 WeakPolarHBondContact O-CA 3.46Å; C607-G611 PolarHBondContact O-N 3.09Å; C607-K612 PolarHBondContact N-O 2.64Å; C607-F620 HydrophobicContact CB-CE2 4.24Å; C607-H623 WeakPolarHBondContact CB-NE2 3.27Å; C607-H623 PolarHBondContact SG-NE2 3.09Å; C607-H623 VanDerWaalsContact SG-NE2 3.43Å; C607-H627 VanDerWaalsContact SG-CD2 3.58Å; C607-H627 PolarHBondContact SG-NE2 3.43Å
608	K	74.5	Confident	66.2	Low	211 Å²	211	90.8 Å²	90.8	92%	0.917	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.7	174.5	-62.7	-169.8	177.4	-172.5	0	113.8	S606	S606-K608 PolarHBondContact O-N 3.38Å
609	V	72.8	Confident	68.3	Low	105 Å²	105	90.9 Å²	90.9	64%	0.636	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-30.6	-179.4	-175.7	0	0	0	0	113.2	C607 H627	C607-V609 PolarHBondContact O-N 3.41Å; C607-V609 VanDerWaalsContact O-N 3.12Å; V609-H627 HydrophobicContact CG1-CB 4.44Å
610	C	75.3	Confident	70.6	Confident	56 Å²	56	83.6 Å²	83.6	38%	0.378	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	24	-176.8	77.8	0	0	0	0	114.8	C607 K612 H623	C607-C610 PolarHBondContact O-N 3.12Å; C610-K612 PolarHBondContact O-N 3.48Å; C610-H623 PolarHBondContact SG-CE1 3.14Å; C610-H623 PolarHBondContact SG-NE2 2.85Å
611	G	73.3	Confident	72	Confident	56 Å²	56	80.8 Å²	80.8	58%	0.577	44%	0.441	S	S	*	.			trans	68.7	-19.5	175.4	0	0	0	0	0	117.1	C607 R613	C607-G611 WeakPolarHBondContact O-CA 3.46Å; C607-G611 PolarHBondContact O-N 3.09Å; G611-R613 PolarHBondContact O-N 2.77Å
612	K	74.1	Confident	73.7	Confident	49 Å²	49	80.8 Å²	80.8	21%	0.213	42%	0.423	C	S	.	.			trans	-57.9	129.7	-170.8	-71.1	-174.7	176.9	-175.8	0	112.3	S606 C607 C610 F614 V682 K684	S606-K612 WeakPolarHBondContact CA-O 3.38Å; C607-K612 PolarHBondContact N-O 2.64Å; C610-K612 PolarHBondContact O-N 3.48Å; K612-F614 HydrophobicContact CB-CE2 3.76Å; K612-F614 HydrophobicContact CB-CZ 3.81Å; K612-F614 VanDerWaalsContact O-CE2 3.31Å; K612-F614 WeakPolarHBondContact O-CE2 3.43Å; K612-V682 PolarHBondContact NZ-O 2.95Å; K612-K684 WeakPolarHBondContact CE-O 3.45Å; K612-K684 PolarHBondContact NZ-O 3.32Å
613	R	78.4	Confident	75.2	Confident	161 Å²	161	74.5 Å²	74.5	61%	0.608	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.6	179.7	-56.9	-174.5	66.4	115.2	4.1	110.6	S603 Y605 G611	S603-R613 PolarHBondContact O-NH2 3.48Å; S603-R613 PolarHBondContact OG-NE 2.83Å; Y605-R613 CarbonylContact O-C 3.56Å; Y605-R613 WeakPolarHBondContact O-CA 3.46Å; G611-R613 PolarHBondContact O-N 2.77Å
614	F	78.2	Confident	76.3	Confident	26 Å²	26	78.2 Å²	78.2	11%	0.114	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.9	-174.7	-59.9	-84.7	0	0	0	110.5	S603 K604 Y605 K612 E619 F620 H623	S603-F614 CarbonylContact C-O 3.58Å; S603-F614 VanDerWaalsContact CA-O 3.23Å; S603-F614 WeakPolarHBondContact CA-O 3.46Å; K604-F614 PolarHBondContact N-O 3.16Å; Y605-F614 PolarHBondContact N-O 3.44Å; Y605-F614 PolarHBondContact O-N 2.89Å; K612-F614 HydrophobicContact CB-CE2 3.76Å; K612-F614 HydrophobicContact CB-CZ 3.81Å; K612-F614 VanDerWaalsContact O-CE2 3.31Å; K612-F614 WeakPolarHBondContact O-CE2 3.43Å; F614-E619 HydrophobicContact CB-CB 4.17Å; F614-E619 HydrophobicContact CD1-CB 3.71Å; F614-E619 HydrophobicContact CG-CB 4.23Å; F614-F620 HydrophobicContact CB-CB 4.12Å; F614-F620 HydrophobicContact CD2-CB 4.1Å; F614-F620 AromaticContact CD2-CD2 3.93Å; F614-F620 HydrophobicContact CD2-CD2 3.93Å; F614-F620 HydrophobicContact CE2-CD2 4.37Å; F614-F620 HydrophobicContact CG-CB 4.23Å; F614-H623 HydrophobicContact CE1-CB 4.03Å; F614-H623 HydrophobicContact CE2-CB 3.97Å; F614-H623 AromaticContact CE2-CD2 3.43Å; F614-H623 VanDerWaalsContact CE2-CD2 3.43Å; F614-H623 WeakPolarHBondContact CE2-CD2 3.45Å; F614-H623 AromaticContact CE2-CG 3.68Å; F614-H623 HydrophobicContact CZ-CB 3.5Å; F614-H623 AromaticContact CZ-CD2 3.54Å; F614-H623 AromaticContact CZ-CG 3.29Å; F614-H623 AromaticContact CZ-ND1 3.8Å
615	A	75.7	Confident	76.7	Confident	41 Å²	41	72.9 Å²	72.9	34%	0.339	37%	0.374	S	S	.	.	S	Bend	trans	-76.8	-38.3	176.4	0	0	0	0	0	111	E619	A615-E619 PolarHBondContact N-OE2 3.11Å
616	H	77.4	Confident	76.7	Confident	110 Å²	110	71.5 Å²	71.5	51%	0.509	37%	0.371	S	S	.	.	S	Bend	trans	-117.4	147	-171.5	-54.8	-71.9	0	0	0	113.3	S618 E619 F620	H616-S618 PolarHBondContact O-N 3.14Å; H616-E619 HydrophobicContact CB-CG 4.14Å; H616-E619 IonicContact CD2-OE1 3.44Å; H616-E619 IonicContact CD2-OE2 3.72Å; H616-E619 PolarHBondContact N-OE2 3.31Å; H616-E619 PolarHBondContact O-N 2.87Å; H616-F620 PolarHBondContact O-N 2.82Å
617	T	78.2	Confident	76.4	Confident	71 Å²	71	72.3 Å²	72.3	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-33	175.5	46.6	0	0	0	0	112.5	Y605 N621	Y605-T617 HydrophobicContact CD1-CG2 4.24Å; Y605-T617 HydrophobicContact CD2-CG2 4.19Å; Y605-T617 HydrophobicContact CE1-CG2 3.62Å; Y605-T617 HydrophobicContact CE2-CG2 3.57Å; Y605-T617 WeakPolarHBondContact OH-CG2 3.3Å; T617-N621 WeakPolarHBondContact O-CB 3.21Å; T617-N621 PolarHBondContact O-N 3.35Å; T617-N621 PolarHBondContact O-ND2 2.66Å
618	S	75.9	Confident	76	Confident	80 Å²	80	75.4 Å²	75.4	56%	0.559	39%	0.387	S	S	*	.	H	α-helix	trans	-62.3	-47.8	178.7	47.8	0	0	0	0	112.1	H616 Y622	H616-S618 PolarHBondContact O-N 3.14Å; S618-Y622 WeakPolarHBondContact O-CB 3.33Å; S618-Y622 PolarHBondContact O-N 3.25Å
619	E	75.3	Confident	75.9	Confident	83 Å²	83	67.1 Å²	67.1	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-48.7	177.2	-56.5	169.6	144.9	0	0	110.7	F614 A615 H616 N621 Y622 H623	F614-E619 HydrophobicContact CB-CB 4.17Å; F614-E619 HydrophobicContact CD1-CB 3.71Å; F614-E619 HydrophobicContact CG-CB 4.23Å; A615-E619 PolarHBondContact N-OE2 3.11Å; H616-E619 HydrophobicContact CB-CG 4.14Å; H616-E619 IonicContact CD2-OE1 3.44Å; H616-E619 IonicContact CD2-OE2 3.72Å; H616-E619 PolarHBondContact N-OE2 3.31Å; H616-E619 PolarHBondContact O-N 2.87Å; E619-N621 PolarHBondContact O-N 3.02Å; E619-Y622 PolarHBondContact O-N 3.43Å; E619-H623 WeakPolarHBondContact O-CB 3.36Å; E619-H623 PolarHBondContact O-N 2.91Å
620	F	80.9	Confident	75.8	Confident	40 Å²	40	66 Å²	66	18%	0.175	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-45.8	178.5	173.7	-117.7	0	0	0	112.4	Y605 S606 C607 F614 H616 H623 R624	Y605-F620 HydrophobicContact CG-CB 4.38Å; Y605-F620 HydrophobicContact CG-CD1 4.47Å; S606-F620 VanDerWaalsContact O-CE2 3.28Å; S606-F620 WeakPolarHBondContact O-CE2 3.4Å; C607-F620 HydrophobicContact CB-CE2 4.24Å; F614-F620 HydrophobicContact CB-CB 4.12Å; F614-F620 HydrophobicContact CD2-CB 4.1Å; F614-F620 AromaticContact CD2-CD2 3.93Å; F614-F620 HydrophobicContact CD2-CD2 3.93Å; F614-F620 HydrophobicContact CE2-CD2 4.37Å; F614-F620 HydrophobicContact CG-CB 4.23Å; H616-F620 PolarHBondContact O-N 2.82Å; F620-H623 PolarHBondContact O-N 2.89Å; F620-R624 WeakPolarHBondContact O-CB 3.34Å; F620-R624 PolarHBondContact O-N 3.31Å
621	N	76.9	Confident	75.9	Confident	53 Å²	53	68.2 Å²	68.2	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-69	-36.8	177.7	-80.2	-74.5	0	0	0	112.3	T617 E619 R624 R625	T617-N621 WeakPolarHBondContact O-CB 3.21Å; T617-N621 PolarHBondContact O-N 3.35Å; T617-N621 PolarHBondContact O-ND2 2.66Å; E619-N621 PolarHBondContact O-N 3.02Å; N621-R624 PolarHBondContact O-N 3.46Å; N621-R624 PolarHBondContact OD1-NH1 2.68Å; N621-R624 PolarHBondContact OD1-NH2 3.24Å; N621-R625 PolarHBondContact O-N 3.08Å
622	Y	76.8	Confident	76.1	Confident	60 Å²	60	69.1 Å²	69.1	24%	0.235	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-43.6	172.3	174.5	-96.7	0	0	0	111.5	S618 E619 R625 R643 T647	S618-Y622 WeakPolarHBondContact O-CB 3.33Å; S618-Y622 PolarHBondContact O-N 3.25Å; E619-Y622 PolarHBondContact O-N 3.43Å; Y622-R625 PolarHBondContact O-N 3.36Å; Y622-R643 HydrophobicContact CD2-CB 4.4Å; Y622-R643 HydrophobicContact CE2-CB 3.78Å; Y622-T647 HydrophobicContact CE2-CG2 4.33Å
623	H	79.1	Confident	76.2	Confident	16 Å²	16	69 Å²	69	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-40.2	175.4	172.3	69.9	0	0	0	112.3	C607 C610 F614 E619 F620 R625 I626 H627	C607-H623 WeakPolarHBondContact CB-NE2 3.27Å; C607-H623 PolarHBondContact SG-NE2 3.09Å; C607-H623 VanDerWaalsContact SG-NE2 3.43Å; C610-H623 PolarHBondContact SG-CE1 3.14Å; C610-H623 PolarHBondContact SG-NE2 2.85Å; F614-H623 HydrophobicContact CE1-CB 4.03Å; F614-H623 HydrophobicContact CE2-CB 3.97Å; F614-H623 AromaticContact CE2-CD2 3.43Å; F614-H623 VanDerWaalsContact CE2-CD2 3.43Å; F614-H623 WeakPolarHBondContact CE2-CD2 3.45Å; F614-H623 AromaticContact CE2-CG 3.68Å; F614-H623 HydrophobicContact CZ-CB 3.5Å; F614-H623 AromaticContact CZ-CD2 3.54Å; F614-H623 AromaticContact CZ-CG 3.29Å; F614-H623 AromaticContact CZ-ND1 3.8Å; E619-H623 WeakPolarHBondContact O-CB 3.36Å; E619-H623 PolarHBondContact O-N 2.91Å; F620-H623 PolarHBondContact O-N 2.89Å; H623-R625 PolarHBondContact O-N 2.81Å; H623-I626 WeakPolarHBondContact O-CB 3.48Å; H623-I626 WeakPolarHBondContact O-CG1 3.33Å; H623-I626 PolarHBondContact O-N 3.08Å; H623-H627 AromaticContact CE1-NE2 3.36Å; H623-H627 PolarHBondContact CE1-NE2 2.89Å; H623-H627 AromaticContact NE2-CD2 3.78Å; H623-H627 AromaticContact NE2-NE2 3.08Å; H623-H627 PolarHBondContact NE2-NE2 3.25Å
624	R	76.4	Confident	76.3	Confident	111 Å²	111	65.7 Å²	65.7	42%	0.419	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-37.1	176.6	-165.5	176.6	74.9	-160	2.8	112.5	F620 N621 I626 H627 T628	F620-R624 WeakPolarHBondContact O-CB 3.34Å; F620-R624 PolarHBondContact O-N 3.31Å; N621-R624 PolarHBondContact O-N 3.46Å; N621-R624 PolarHBondContact OD1-NH1 2.68Å; N621-R624 PolarHBondContact OD1-NH2 3.24Å; R624-I626 PolarHBondContact O-N 3.49Å; R624-H627 PolarHBondContact O-N 3.38Å; R624-H627 VanDerWaalsContact O-N 3.16Å; R624-T628 HydrophobicContact CG-CG2 4.41Å; R624-T628 PolarHBondContact O-N 3.35Å; R624-T628 PolarHBondContact O-OG1 2.92Å
625	R	79.6	Confident	76.3	Confident	56 Å²	56	64.4 Å²	64.4	21%	0.211	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-14.7	174.5	-64.3	-167.8	-168.9	114.1	13.8	114.8	N621 Y622 H623 T628 G629 E630 R643	N621-R625 PolarHBondContact O-N 3.08Å; Y622-R625 PolarHBondContact O-N 3.36Å; H623-R625 PolarHBondContact O-N 2.81Å; R625-T628 WeakPolarHBondContact CA-OG1 3.47Å; R625-G629 PolarHBondContact O-N 3.26Å; R625-E630 HydrophobicContact CB-CB 4.12Å; R625-E630 HydrophobicContact CG-CB 3.87Å; R625-E630 IonicContact NE-OE2 3.81Å; R625-R643 HydrophobicContact CB-CB 4.49Å; R625-R643 PolarHBondContact NH1-O 2.87Å; R625-R643 WeakPolarHBondContact O-CD 3.35Å; R625-R643 PolarHBondContact O-NE 3.36Å
626	I	74.3	Confident	76.3	Confident	51 Å²	51	71.7 Å²	71.7	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-53.4	170.6	-56.6	177.4	0	0	0	108.1	H623 R624 G629 R643	H623-I626 WeakPolarHBondContact O-CB 3.48Å; H623-I626 WeakPolarHBondContact O-CG1 3.33Å; H623-I626 PolarHBondContact O-N 3.08Å; R624-I626 PolarHBondContact O-N 3.49Å; I626-G629 PolarHBondContact O-N 3.13Å; I626-R643 PolarHBondContact O-NH2 2.97Å
627	H	72.5	Confident	76.1	Confident	76 Å²	76	70.9 Å²	70.9	35%	0.352	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-44.9	180	-56.3	-58.4	0	0	0	113.5	C607 V609 H623 R624 G629	C607-H627 VanDerWaalsContact SG-CD2 3.58Å; C607-H627 PolarHBondContact SG-NE2 3.43Å; V609-H627 HydrophobicContact CG1-CB 4.44Å; H623-H627 AromaticContact CE1-NE2 3.36Å; H623-H627 PolarHBondContact CE1-NE2 2.89Å; H623-H627 AromaticContact NE2-CD2 3.78Å; H623-H627 AromaticContact NE2-NE2 3.08Å; H623-H627 PolarHBondContact NE2-NE2 3.25Å; R624-H627 PolarHBondContact O-N 3.38Å; R624-H627 VanDerWaalsContact O-N 3.16Å; H627-G629 PolarHBondContact O-N 2.82Å
628	T	71.1	Confident	76	Confident	72 Å²	72	69 Å²	69	44%	0.442	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.1	-179.7	62.8	0	0	0	0	114	R624 R625 E630	R624-T628 HydrophobicContact CG-CG2 4.41Å; R624-T628 PolarHBondContact O-N 3.35Å; R624-T628 PolarHBondContact O-OG1 2.92Å; R625-T628 WeakPolarHBondContact CA-OG1 3.47Å; T628-E630 VanDerWaalsContact CB-OE1 3.31Å; T628-E630 WeakPolarHBondContact CB-OE1 3.45Å; T628-E630 PolarHBondContact O-N 3.23Å; T628-E630 WeakPolarHBondContact OG1-CG 3.38Å; T628-E630 PolarHBondContact OG1-OE1 3.15Å
629	G	71.7	Confident	76	Confident	36 Å²	36	70.8 Å²	70.8	37%	0.371	35%	0.348	S	S	.	.			trans	71.9	-12	-179	0	0	0	0	0	115.8	R625 I626 H627 K631	R625-G629 PolarHBondContact O-N 3.26Å; I626-G629 PolarHBondContact O-N 3.13Å; H627-G629 PolarHBondContact O-N 2.82Å; G629-K631 WeakPolarHBondContact O-CG 3.4Å; G629-K631 PolarHBondContact O-N 3.28Å
630	E	71.2	Confident	75.9	Confident	83 Å²	83	72.9 Å²	72.9	39%	0.388	36%	0.355	S	S	.	.			trans	-50.2	119.6	-176.3	-75.4	166.2	-123.9	0	0	113.7	R625 T628 P632 R643	R625-E630 HydrophobicContact CB-CB 4.12Å; R625-E630 HydrophobicContact CG-CB 3.87Å; R625-E630 IonicContact NE-OE2 3.81Å; T628-E630 VanDerWaalsContact CB-OE1 3.31Å; T628-E630 WeakPolarHBondContact CB-OE1 3.45Å; T628-E630 PolarHBondContact O-N 3.23Å; T628-E630 WeakPolarHBondContact OG1-CG 3.38Å; T628-E630 PolarHBondContact OG1-OE1 3.15Å; E630-P632 VanDerWaalsContact C-CD 3.5Å; E630-P632 WeakPolarHBondContact O-CD 3.38Å; E630-R643 WeakPolarHBondContact O-CG 2.97Å
631	K	77.8	Confident	75.6	Confident	102 Å²	102	76.3 Å²	76.3	44%	0.443	37%	0.37	S	S	.	.			trans	-123	71.3	177	-68.9	161	178.2	178.7	0	111.5	G629 Y633 F641 F642 R643	G629-K631 WeakPolarHBondContact O-CG 3.4Å; G629-K631 PolarHBondContact O-N 3.28Å; K631-Y633 PolarHBondContact O-N 3Å; K631-Y633 VanDerWaalsContact O-N 3.07Å; K631-F641 HydrophobicContact CB-CB 3.59Å; K631-F641 HydrophobicContact CD-CB 4.11Å; K631-F641 HydrophobicContact CG-CB 4.44Å; K631-F642 CarbonylContact C-O 3.56Å; K631-F642 VanDerWaalsContact CA-O 3.25Å; K631-F642 WeakPolarHBondContact CA-O 3.24Å; K631-R643 HydrophobicContact CG-CG 3.83Å
632	P	76.2	Confident	75.7	Confident	75 Å²	75	74.6 Å²	74.6	49%	0.487	36%	0.36	S	S	.	.			trans	-72.7	2.3	-169.5	28.9	-35.9	0	0	0	116	E630	E630-P632 VanDerWaalsContact C-CD 3.5Å; E630-P632 WeakPolarHBondContact O-CD 3.38Å
633	Y	77.4	Confident	75.6	Confident	47 Å²	47	74 Å²	74	18%	0.184	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.6	-179.5	-56.7	-77.1	0	0	0	111.3	K631 F641 F642 R645 I648	K631-Y633 PolarHBondContact O-N 3Å; K631-Y633 VanDerWaalsContact O-N 3.07Å; Y633-F641 CarbonylContact O-C 3.56Å; Y633-F641 WeakPolarHBondContact O-CA 3.38Å; Y633-F642 PolarHBondContact N-O 3.25Å; Y633-F642 VanDerWaalsContact N-O 3.1Å; Y633-F642 PolarHBondContact O-N 3.18Å; Y633-R645 HydrophobicContact CD1-CG 4.03Å; Y633-R645 HydrophobicContact CE1-CG 3.39Å; Y633-R645 HydrophobicContact CE2-CG 4.3Å; Y633-R645 PolarHBondContact OH-NH1 3.4Å; Y633-I648 HydrophobicContact CG-CG2 4.32Å
634	Q	80.1	Confident	75.5	Confident	90 Å²	90	73.5 Å²	73.5	42%	0.421	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.2	177.7	-162.2	-175.2	19.7	0	0	111.9	H639 F641 I648	Q634-H639 WeakPolarHBondContact CG-O 3.14Å; Q634-H639 PolarHBondContact NE2-O 3.49Å; Q634-F641 HydrophobicContact CB-CD1 3.75Å; Q634-F641 HydrophobicContact CB-CE1 3.69Å; Q634-F641 HydrophobicContact CB-CG 4.48Å; Q634-F641 HydrophobicContact CB-CZ 4.37Å; Q634-F641 VanDerWaalsContact CD-CZ 3.47Å; Q634-F641 HydrophobicContact CG-CD1 3.83Å; Q634-F641 HydrophobicContact CG-CD2 4.37Å; Q634-F641 HydrophobicContact CG-CE1 3.58Å; Q634-F641 HydrophobicContact CG-CE2 4.15Å; Q634-F641 HydrophobicContact CG-CG 4.22Å; Q634-F641 HydrophobicContact CG-CZ 3.76Å; Q634-F641 VanDerWaalsContact NE2-CZ 3.28Å; Q634-I648 VanDerWaalsContact C-CD1 3.47Å; Q634-I648 VanDerWaalsContact O-CD1 3.23Å; Q634-I648 WeakPolarHBondContact O-CD1 3.49Å
635	C	77.9	Confident	75.4	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.37	C	S	.	.			trans	-73.6	126.8	169.4	-177.5	0	0	0	0	110.8	V637 H639 K640 F642 H651 H655	C635-V637 VanDerWaalsContact C-N 3.27Å; C635-V637 PolarHBondContact O-N 3.48Å; C635-H639 WeakPolarHBondContact O-CA 3.38Å; C635-H639 PolarHBondContact O-N 3.11Å; C635-K640 WeakPolarHBondContact CB-O 3.46Å; C635-K640 PolarHBondContact N-O 2.95Å; C635-F642 HydrophobicContact CB-CE2 4.05Å; C635-H651 PolarHBondContact SG-NE2 3.02Å; C635-H651 VanDerWaalsContact SG-NE2 3.39Å; C635-H655 PolarHBondContact SG-NE2 2.69Å
636	K	76.6	Confident	75.1	Confident	194 Å²	194	78 Å²	78	84%	0.843	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.9	179	-68.1	-169.3	176.4	-172.5	0	114.6
637	V	73.3	Confident	75	Confident	93 Å²	93	75.7 Å²	75.7	56%	0.564	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-38.4	-173.7	-173.3	0	0	0	0	112.5	C635 H655	C635-V637 VanDerWaalsContact C-N 3.27Å; C635-V637 PolarHBondContact O-N 3.48Å; V637-H655 HydrophobicContact CG1-CB 4.48Å; V637-H655 WeakPolarHBondContact CG1-ND1 3.31Å
638	C	75.2	Confident	75.3	Confident	31 Å²	31	73.2 Å²	73.2	21%	0.209	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	14	-177.9	68.7	0	0	0	0	113.9	K640 H651	C638-K640 PolarHBondContact O-N 3.11Å; C638-H651 PolarHBondContact SG-NE2 3.35Å
639	H	76.1	Confident	75.6	Confident	118 Å²	118	77.3 Å²	77.3	55%	0.546	38%	0.375	S	S	.	.			trans	57.4	2.9	175.4	-58.6	-68.3	0	0	0	117.3	Q634 C635 F641	Q634-H639 WeakPolarHBondContact CG-O 3.14Å; Q634-H639 PolarHBondContact NE2-O 3.49Å; C635-H639 WeakPolarHBondContact O-CA 3.38Å; C635-H639 PolarHBondContact O-N 3.11Å; H639-F641 VanDerWaalsContact O-CD2 3.27Å; H639-F641 WeakPolarHBondContact O-CD2 3.4Å; H639-F641 VanDerWaalsContact O-CE2 3.3Å; H639-F641 WeakPolarHBondContact O-CE2 3.32Å
640	K	72.3	Confident	75.4	Confident	126 Å²	126	76.5 Å²	76.5	55%	0.548	36%	0.363	S	S	.	.			trans	-64.3	141.2	175.8	-67.2	179.5	-175.9	177.7	0	111.3	C635 C638 F642	C635-K640 WeakPolarHBondContact CB-O 3.46Å; C635-K640 PolarHBondContact N-O 2.95Å; C638-K640 PolarHBondContact O-N 3.11Å; K640-F642 HydrophobicContact CB-CE2 3.8Å; K640-F642 HydrophobicContact CB-CZ 4.12Å; K640-F642 WeakPolarHBondContact O-CD2 3.36Å; K640-F642 VanDerWaalsContact O-CE2 3.27Å; K640-F642 WeakPolarHBondContact O-CE2 3.27Å
641	F	76.1	Confident	75.6	Confident	113 Å²	113	72.9 Å²	72.9	50%	0.496	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140.8	-175.2	-66.2	-95.8	0	0	0	112.5	K631 Y633 Q634 H639	K631-F641 HydrophobicContact CB-CB 3.59Å; K631-F641 HydrophobicContact CD-CB 4.11Å; K631-F641 HydrophobicContact CG-CB 4.44Å; Y633-F641 CarbonylContact O-C 3.56Å; Y633-F641 WeakPolarHBondContact O-CA 3.38Å; Q634-F641 HydrophobicContact CB-CD1 3.75Å; Q634-F641 HydrophobicContact CB-CE1 3.69Å; Q634-F641 HydrophobicContact CB-CG 4.48Å; Q634-F641 HydrophobicContact CB-CZ 4.37Å; Q634-F641 VanDerWaalsContact CD-CZ 3.47Å; Q634-F641 HydrophobicContact CG-CD1 3.83Å; Q634-F641 HydrophobicContact CG-CD2 4.37Å; Q634-F641 HydrophobicContact CG-CE1 3.58Å; Q634-F641 HydrophobicContact CG-CE2 4.15Å; Q634-F641 HydrophobicContact CG-CG 4.22Å; Q634-F641 HydrophobicContact CG-CZ 3.76Å; Q634-F641 VanDerWaalsContact NE2-CZ 3.28Å; H639-F641 VanDerWaalsContact O-CD2 3.27Å; H639-F641 WeakPolarHBondContact O-CD2 3.4Å; H639-F641 VanDerWaalsContact O-CE2 3.3Å; H639-F641 WeakPolarHBondContact O-CE2 3.32Å
642	F	77.6	Confident	75.2	Confident	17 Å²	17	71.8 Å²	71.8	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.6	-170.5	-65.9	-88.8	0	0	0	112.9	K631 Y633 C635 K640 I648 H651 Y669	K631-F642 CarbonylContact C-O 3.56Å; K631-F642 VanDerWaalsContact CA-O 3.25Å; K631-F642 WeakPolarHBondContact CA-O 3.24Å; Y633-F642 PolarHBondContact N-O 3.25Å; Y633-F642 VanDerWaalsContact N-O 3.1Å; Y633-F642 PolarHBondContact O-N 3.18Å; C635-F642 HydrophobicContact CB-CE2 4.05Å; K640-F642 HydrophobicContact CB-CE2 3.8Å; K640-F642 HydrophobicContact CB-CZ 4.12Å; K640-F642 WeakPolarHBondContact O-CD2 3.36Å; K640-F642 VanDerWaalsContact O-CE2 3.27Å; K640-F642 WeakPolarHBondContact O-CE2 3.27Å; F642-I648 HydrophobicContact CB-CB 4.14Å; F642-I648 HydrophobicContact CD2-CB 4.27Å; F642-I648 HydrophobicContact CD2-CG1 4.31Å; F642-I648 HydrophobicContact CG-CB 4.23Å; F642-H651 HydrophobicContact CE1-CB 3.81Å; F642-H651 AromaticContact CE1-CG 3.91Å; F642-H651 HydrophobicContact CE2-CB 4.28Å; F642-H651 AromaticContact CE2-CD2 3.24Å; F642-H651 WeakPolarHBondContact CE2-CD2 3.36Å; F642-H651 AromaticContact CE2-CG 3.82Å; F642-H651 AromaticContact CE2-NE2 3.89Å; F642-H651 HydrophobicContact CZ-CB 3.68Å; F642-H651 AromaticContact CZ-CD2 3.17Å; F642-H651 WeakPolarHBondContact CZ-CD2 3.41Å; F642-H651 AromaticContact CZ-CG 3.27Å; F642-H651 AromaticContact CZ-ND1 3.94Å; F642-H651 AromaticContact CZ-NE2 3.79Å; F642-Y669 HydrophobicContact CE1-CD2 4.21Å; F642-Y669 HydrophobicContact CE1-CE2 4.07Å
643	R	75.9	Confident	74.8	Confident	47 Å²	47	73.2 Å²	73.2	18%	0.177	34%	0.344	C	S	.	.	S	Bend	trans	-86.7	-19.4	-173	-63.4	-172.4	160.6	108.1	-17.2	115	Y622 R625 I626 E630 K631	Y622-R643 HydrophobicContact CD2-CB 4.4Å; Y622-R643 HydrophobicContact CE2-CB 3.78Å; R625-R643 HydrophobicContact CB-CB 4.49Å; R625-R643 PolarHBondContact NH1-O 2.87Å; R625-R643 WeakPolarHBondContact O-CD 3.35Å; R625-R643 PolarHBondContact O-NE 3.36Å; I626-R643 PolarHBondContact O-NH2 2.97Å; E630-R643 WeakPolarHBondContact O-CG 2.97Å; K631-R643 HydrophobicContact CG-CG 3.83Å
644	G	77.1	Confident	74.3	Confident	5 Å²	5	72.2 Å²	72.2	5%	0.052	34%	0.342	C	S	.	.	S	Bend	trans	-151.1	153.4	-176	0	0	0	0	0	114.9	S646 T647 I648	G644-S646 VanDerWaalsContact C-N 3.31Å; G644-S646 PolarHBondContact O-N 3.27Å; G644-T647 PolarHBondContact N-OG1 3.26Å; G644-T647 PolarHBondContact O-N 3.46Å; G644-T647 PolarHBondContact O-OG1 3.32Å; G644-I648 PolarHBondContact O-N 3.22Å
645	R	73.9	Confident	73.5	Confident	184 Å²	184	70.9 Å²	70.9	69%	0.694	34%	0.336	S	S	*	.	H	α-helix	trans	-58.2	-37.6	-178.3	-73	-173.6	164.5	107.1	-1.7	113.5	Y633 I648 K649	Y633-R645 HydrophobicContact CD1-CG 4.03Å; Y633-R645 HydrophobicContact CE1-CG 3.39Å; Y633-R645 HydrophobicContact CE2-CG 4.3Å; Y633-R645 PolarHBondContact OH-NH1 3.4Å; R645-I648 VanDerWaalsContact O-CG2 3.25Å; R645-I648 WeakPolarHBondContact O-CG2 3.35Å; R645-K649 WeakPolarHBondContact O-CB 3.43Å; R645-K649 PolarHBondContact O-N 2.87Å
646	S	72.9	Confident	72.6	Confident	77 Å²	77	75.3 Å²	75.3	54%	0.538	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-47.2	172.6	48.6	0	0	0	0	112	G644 I648 K649 C650	G644-S646 VanDerWaalsContact C-N 3.31Å; G644-S646 PolarHBondContact O-N 3.27Å; S646-I648 PolarHBondContact O-N 3.35Å; S646-K649 PolarHBondContact O-N 2.75Å; S646-C650 WeakPolarHBondContact O-CB 3.44Å; S646-C650 PolarHBondContact O-N 2.84Å
647	T	72.5	Confident	71.8	Confident	4 Å²	4	67 Å²	67	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-40.3	-176.4	64.4	0	0	0	0	112.9	Y622 G644 H651 H668	Y622-T647 HydrophobicContact CE2-CG2 4.33Å; G644-T647 PolarHBondContact N-OG1 3.26Å; G644-T647 PolarHBondContact O-N 3.46Å; G644-T647 PolarHBondContact O-OG1 3.32Å; T647-H651 WeakPolarHBondContact O-CB 3.14Å; T647-H651 PolarHBondContact O-N 3.09Å; T647-H668 VanDerWaalsContact CG2-CD2 3.41Å; T647-H668 WeakPolarHBondContact CG2-CD2 3.45Å
648	I	79.1	Confident	71.1	Confident	24 Å²	24	64.2 Å²	64.2	12%	0.123	32%	0.323	C	S	.	.	H	α-helix	trans	-72.6	-38.6	173.1	-173.5	169.5	0	0	0	112.2	Y633 Q634 F642 G644 R645 S646 C650 H651 L652	Y633-I648 HydrophobicContact CG-CG2 4.32Å; Q634-I648 VanDerWaalsContact C-CD1 3.47Å; Q634-I648 VanDerWaalsContact O-CD1 3.23Å; Q634-I648 WeakPolarHBondContact O-CD1 3.49Å; F642-I648 HydrophobicContact CB-CB 4.14Å; F642-I648 HydrophobicContact CD2-CB 4.27Å; F642-I648 HydrophobicContact CD2-CG1 4.31Å; F642-I648 HydrophobicContact CG-CB 4.23Å; G644-I648 PolarHBondContact O-N 3.22Å; R645-I648 VanDerWaalsContact O-CG2 3.25Å; R645-I648 WeakPolarHBondContact O-CG2 3.35Å; S646-I648 PolarHBondContact O-N 3.35Å; I648-C650 VanDerWaalsContact C-N 3.26Å; I648-C650 PolarHBondContact O-N 2.75Å; I648-H651 PolarHBondContact O-N 3.35Å; I648-L652 HydrophobicContact CG1-CD1 4.18Å; I648-L652 HydrophobicContact CG1-CG 4.23Å; I648-L652 WeakPolarHBondContact O-CB 3.2Å; I648-L652 WeakPolarHBondContact O-CG 3.36Å; I648-L652 PolarHBondContact O-N 2.94Å
649	K	76.3	Confident	70.4	Confident	157 Å²	157	67.9 Å²	67.9	68%	0.683	34%	0.34	S	S	*	.	H	α-helix	trans	-64.7	-31	175.6	-173.3	172.2	-178.7	176	0	112.2	R645 S646	R645-K649 WeakPolarHBondContact O-CB 3.43Å; R645-K649 PolarHBondContact O-N 2.87Å; S646-K649 PolarHBondContact O-N 2.75Å
650	C	68.1	Low	70.1	Confident	20 Å²	20	62.4 Å²	62.4	14%	0.135	32%	0.315	C	S	.	.	H	α-helix	trans	-71.1	-53.4	170.9	-143.5	0	0	0	0	110.3	S646 I648 L652 K653 M660 Y669	S646-C650 WeakPolarHBondContact O-CB 3.44Å; S646-C650 PolarHBondContact O-N 2.84Å; I648-C650 VanDerWaalsContact C-N 3.26Å; I648-C650 PolarHBondContact O-N 2.75Å; C650-L652 VanDerWaalsContact C-N 3.28Å; C650-L652 PolarHBondContact O-N 3.42Å; C650-K653 WeakPolarHBondContact O-CB 3.18Å; C650-K653 PolarHBondContact O-N 3.2Å; C650-M660 HydrophobicContact CB-SD 4.37Å; C650-M660 WeakPolarHBondContact O-CE 3.38Å; C650-M660 WeakPolarHBondContact SG-CE 3.24Å; C650-Y669 WeakPolarHBondContact CB-O 3.5Å; C650-Y669 PolarHBondContact SG-O 2.89Å
651	H	75.2	Confident	69.9	Low	7 Å²	7	59 Å²	59	3%	0.032	30%	0.299	C	S	.	.	H	α-helix	trans	-56.6	-35.5	177.6	172.1	53.4	0	0	0	114.1	C635 C638 F642 T647 I648 K653 T654 H655 Y669	C635-H651 PolarHBondContact SG-NE2 3.02Å; C635-H651 VanDerWaalsContact SG-NE2 3.39Å; C638-H651 PolarHBondContact SG-NE2 3.35Å; F642-H651 HydrophobicContact CE1-CB 3.81Å; F642-H651 AromaticContact CE1-CG 3.91Å; F642-H651 HydrophobicContact CE2-CB 4.28Å; F642-H651 AromaticContact CE2-CD2 3.24Å; F642-H651 WeakPolarHBondContact CE2-CD2 3.36Å; F642-H651 AromaticContact CE2-CG 3.82Å; F642-H651 AromaticContact CE2-NE2 3.89Å; F642-H651 HydrophobicContact CZ-CB 3.68Å; F642-H651 AromaticContact CZ-CD2 3.17Å; F642-H651 WeakPolarHBondContact CZ-CD2 3.41Å; F642-H651 AromaticContact CZ-CG 3.27Å; F642-H651 AromaticContact CZ-ND1 3.94Å; F642-H651 AromaticContact CZ-NE2 3.79Å; T647-H651 WeakPolarHBondContact O-CB 3.14Å; T647-H651 PolarHBondContact O-N 3.09Å; I648-H651 PolarHBondContact O-N 3.35Å; H651-K653 PolarHBondContact O-N 2.82Å; H651-K653 VanDerWaalsContact O-N 3.14Å; H651-T654 PolarHBondContact CE1-OG1 3.33Å; H651-T654 PolarHBondContact ND1-OG1 3.35Å; H651-T654 PolarHBondContact O-N 2.79Å; H651-T654 PolarHBondContact O-OG1 2.88Å; H651-H655 AromaticContact CD2-NE2 3.96Å; H651-H655 AromaticContact CE1-CD2 3.96Å; H651-H655 AromaticContact CE1-CE1 3.93Å; H651-H655 AromaticContact CE1-NE2 3.16Å; H651-H655 PolarHBondContact CE1-NE2 2.83Å; H651-H655 AromaticContact NE2-CD2 3.87Å; H651-H655 AromaticContact NE2-CE1 3.99Å; H651-H655 AromaticContact NE2-NE2 3.01Å; H651-H655 PolarHBondContact NE2-NE2 3.41Å; H651-Y669 HydrophobicContact CB-CD2 4.33Å
652	L	70.2	Confident	69.7	Low	79 Å²	79	58.1 Å²	58.1	41%	0.414	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-27.4	176.2	-77.3	168.6	0	0	0	112.7	I648 C650 T654 H655	I648-L652 HydrophobicContact CG1-CD1 4.18Å; I648-L652 HydrophobicContact CG1-CG 4.23Å; I648-L652 WeakPolarHBondContact O-CB 3.2Å; I648-L652 WeakPolarHBondContact O-CG 3.36Å; I648-L652 PolarHBondContact O-N 2.94Å; C650-L652 VanDerWaalsContact C-N 3.28Å; C650-L652 PolarHBondContact O-N 3.42Å; L652-T654 VanDerWaalsContact C-N 3.34Å; L652-H655 PolarHBondContact O-N 3.32Å
653	K	67.8	Low	69.5	Low	105 Å²	105	57.3 Å²	57.3	46%	0.457	29%	0.289	S	S	.	.	H	α-helix	trans	-75.1	-16.8	173.7	-62.4	-175.2	169.4	-164.1	0	114.2	C650 H651 H655 S656 G657 A658 M660	C650-K653 WeakPolarHBondContact O-CB 3.18Å; C650-K653 PolarHBondContact O-N 3.2Å; H651-K653 PolarHBondContact O-N 2.82Å; H651-K653 VanDerWaalsContact O-N 3.14Å; K653-H655 PolarHBondContact O-N 3Å; K653-S656 WeakPolarHBondContact CA-OG 3.48Å; K653-S656 CarbonylContact O-C 3.6Å; K653-S656 PolarHBondContact O-N 2.85Å; K653-S656 PolarHBondContact O-OG 3.17Å; K653-S656 VanDerWaalsContact O-OG 3.12Å; K653-G657 PolarHBondContact O-N 3.27Å; K653-A658 HydrophobicContact CB-CB 3.9Å; K653-A658 WeakPolarHBondContact O-CB 3.26Å; K653-A658 PolarHBondContact O-N 3.07Å; K653-M660 HydrophobicContact CB-CE 3.52Å; K653-M660 HydrophobicContact CB-SD 4.49Å; K653-M660 HydrophobicContact CD-CE 3.82Å; K653-M660 HydrophobicContact CG-CE 4.23Å
654	T	65.6	Low	68.9	Low	26 Å²	26	57.8 Å²	57.8	16%	0.16	30%	0.297	C	S	.	.	H	α-helix	trans	-71	-24.8	172.2	71.5	0	0	0	0	111.4	H651 L652 M660 Y669	H651-T654 PolarHBondContact CE1-OG1 3.33Å; H651-T654 PolarHBondContact ND1-OG1 3.35Å; H651-T654 PolarHBondContact O-N 2.79Å; H651-T654 PolarHBondContact O-OG1 2.88Å; L652-T654 VanDerWaalsContact C-N 3.34Å; T654-M660 HydrophobicContact CG2-CB 4.15Å; T654-M660 HydrophobicContact CG2-CG 3.93Å; T654-M660 HydrophobicContact CG2-SD 3.72Å; T654-Y669 HydrophobicContact CG2-CD1 4.35Å
655	H	64.4	Low	68.3	Low	61 Å²	61	60.5 Å²	60.5	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-77.3	-28.8	171.1	-60.5	-71.4	0	0	0	112.4	C635 V637 H651 L652 K653 G657	C635-H655 PolarHBondContact SG-NE2 2.69Å; V637-H655 HydrophobicContact CG1-CB 4.48Å; V637-H655 WeakPolarHBondContact CG1-ND1 3.31Å; H651-H655 AromaticContact CD2-NE2 3.96Å; H651-H655 AromaticContact CE1-CD2 3.96Å; H651-H655 AromaticContact CE1-CE1 3.93Å; H651-H655 AromaticContact CE1-NE2 3.16Å; H651-H655 PolarHBondContact CE1-NE2 2.83Å; H651-H655 AromaticContact NE2-CD2 3.87Å; H651-H655 AromaticContact NE2-CE1 3.99Å; H651-H655 AromaticContact NE2-NE2 3.01Å; H651-H655 PolarHBondContact NE2-NE2 3.41Å; L652-H655 PolarHBondContact O-N 3.32Å; K653-H655 PolarHBondContact O-N 3Å; H655-G657 PolarHBondContact O-N 3.5Å
656	S	59.3	Low	67.9	Low	93 Å²	93	53 Å²	53	65%	0.65	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	21.9	172.4	78.6	0	0	0	0	113.3	K653 A658	K653-S656 WeakPolarHBondContact CA-OG 3.48Å; K653-S656 CarbonylContact O-C 3.6Å; K653-S656 PolarHBondContact O-N 2.85Å; K653-S656 PolarHBondContact O-OG 3.17Å; K653-S656 VanDerWaalsContact O-OG 3.12Å; S656-A658 PolarHBondContact O-N 2.88Å
657	G	58	Low	67.5	Low	20 Å²	20	50.6 Å²	50.6	21%	0.206	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	10.5	173.2	0	0	0	0	0	117.8	K653 H655 M698	K653-G657 PolarHBondContact O-N 3.27Å; H655-G657 PolarHBondContact O-N 3.5Å; G657-M698 VanDerWaalsContact CA-CE 3.5Å; G657-M698 WeakPolarHBondContact CA-SD 3.25Å; G657-M698 WeakPolarHBondContact O-CG 3.17Å
658	A	59.6	Low	67.3	Low	35 Å²	35	51.7 Å²	51.7	29%	0.289	28%	0.28	S	S	.	.			trans	-73.9	132.2	177.8	0	0	0	0	0	111.7	K653 S656 M660	K653-A658 HydrophobicContact CB-CB 3.9Å; K653-A658 WeakPolarHBondContact O-CB 3.26Å; K653-A658 PolarHBondContact O-N 3.07Å; S656-A658 PolarHBondContact O-N 2.88Å; A658-M660 HydrophobicContact CB-CE 4.3Å; A658-M660 WeakPolarHBondContact O-CG 3.5Å; A658-M660 PolarHBondContact O-N 3.28Å
659	L	61.3	Low	66.8	Low	108 Å²	108	51.8 Å²	51.8	57%	0.565	28%	0.279	S	S	*	.			trans	-60.8	131.7	170.8	-64.5	176.7	0	0	0	110.8	F697	L659-F697 HydrophobicContact CD2-CD1 3.51Å; L659-F697 HydrophobicContact CD2-CE1 3.99Å; L659-F697 HydrophobicContact CD2-CG 4.4Å
660	M	68.3	Low	66.5	Low	3 Å²	3	44.3 Å²	44.3	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.5	-176.9	-65.7	-148.6	153.6	0	0	113.9	C650 K653 T654 A658 Y669 T696	C650-M660 HydrophobicContact CB-SD 4.37Å; C650-M660 WeakPolarHBondContact O-CE 3.38Å; C650-M660 WeakPolarHBondContact SG-CE 3.24Å; K653-M660 HydrophobicContact CB-CE 3.52Å; K653-M660 HydrophobicContact CB-SD 4.49Å; K653-M660 HydrophobicContact CD-CE 3.82Å; K653-M660 HydrophobicContact CG-CE 4.23Å; T654-M660 HydrophobicContact CG2-CB 4.15Å; T654-M660 HydrophobicContact CG2-CG 3.93Å; T654-M660 HydrophobicContact CG2-SD 3.72Å; A658-M660 HydrophobicContact CB-CE 4.3Å; A658-M660 WeakPolarHBondContact O-CG 3.5Å; A658-M660 PolarHBondContact O-N 3.28Å; M660-Y669 HydrophobicContact CB-CD1 4.43Å; M660-T696 PolarHBondContact N-O 3.11Å; M660-T696 CarbonylContact O-C 3.51Å; M660-T696 WeakPolarHBondContact O-CA 3.46Å; M660-T696 WeakPolarHBondContact O-CB 3.33Å; M660-T696 PolarHBondContact O-N 2.8Å; M660-T696 VanDerWaalsContact O-O 3.14Å
661	Y	69.3	Low	66.4	Low	54 Å²	54	46.2 Å²	46.2	21%	0.212	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.8	172.3	-59.5	-94.7	0	0	0	108.9	Y669 S670 T672 L673 M676 I693 Q695	Y661-Y669 CarbonylContact O-C 3.43Å; Y661-Y669 WeakPolarHBondContact O-CA 3.48Å; Y661-S670 PolarHBondContact N-O 2.98Å; Y661-S670 PolarHBondContact O-N 3.44Å; Y661-T672 VanDerWaalsContact CD2-C 3.45Å; Y661-L673 HydrophobicContact CD1-CB 4.19Å; Y661-L673 HydrophobicContact CD1-CD1 3.79Å; Y661-L673 HydrophobicContact CE1-CB 3.74Å; Y661-L673 HydrophobicContact CE1-CD1 3.83Å; Y661-L673 HydrophobicContact CE1-CG 4.25Å; Y661-L673 HydrophobicContact CE2-CB 4.23Å; Y661-L673 VanDerWaalsContact CE2-N 3.35Å; Y661-M676 WeakPolarHBondContact O-CE 3.49Å; Y661-I693 HydrophobicContact CD1-CG2 4.09Å; Y661-Q695 HydrophobicContact CD1-CG 4.02Å; Y661-Q695 HydrophobicContact CE1-CG 3.81Å
662	R	71.6	Confident	66	Low	94 Å²	94	49.1 Å²	49.1	36%	0.355	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135	179.2	-179.1	-177.2	170.3	-168.3	-10.2	111	H668 Y669 E694 T696	R662-H668 WeakPolarHBondContact CA-O 3.37Å; R662-Y669 HydrophobicContact CB-CD1 4.09Å; R662-Y669 HydrophobicContact CB-CE1 3.92Å; R662-Y669 HydrophobicContact CG-CD1 4.33Å; R662-Y669 HydrophobicContact CG-CE1 3.89Å; R662-E694 PolarHBondContact N-O 3.45Å; R662-T696 WeakPolarHBondContact CB-OG1 3.46Å
663	C	73.9	Confident	66.1	Low	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.			trans	-83.9	120	168.8	-174.2	0	0	0	0	109.7	G667 H668 M676	C663-G667 VanDerWaalsContact O-CA 3.29Å; C663-G667 WeakPolarHBondContact O-CA 3.36Å; C663-G667 PolarHBondContact O-N 3.01Å; C663-H668 HydrophobicContact CB-CB 4.12Å; C663-H668 PolarHBondContact N-O 3.06Å; C663-M676 HydrophobicContact CB-CE 4.06Å; C663-M676 HydrophobicContact CB-SD 3.68Å
664	T	63.5	Low	66.3	Low	58 Å²	58	50 Å²	50	36%	0.356	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-41.7	177.2	50.9	0	0	0	0	112	C666 F691 E694	T664-C666 PolarHBondContact O-N 3.44Å; T664-F691 WeakPolarHBondContact OG1-CE2 3.26Å; T664-E694 VanDerWaalsContact CG2-CD 3.46Å; T664-E694 HydrophobicContact CG2-CG 3.74Å
665	V	63	Low	66.7	Low	61 Å²	61	53.1 Å²	53.1	37%	0.37	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-36.3	-177.2	169.5	0	0	0	0	114.1	L687 F691	V665-L687 HydrophobicContact CG2-CD2 3.91Å; V665-F691 HydrophobicContact CB-CE2 4.45Å; V665-F691 HydrophobicContact CG2-CD2 3.75Å; V665-F691 HydrophobicContact CG2-CE2 3.71Å
666	C	65.6	Low	67.1	Low	28 Å²	28	50.2 Å²	50.2	19%	0.189	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-6.6	-172.6	73.8	0	0	0	0	116.1	T664 H668 H679 H683	T664-C666 PolarHBondContact O-N 3.44Å; C666-H668 VanDerWaalsContact C-N 3.34Å; C666-H668 VanDerWaalsContact SG-CB 3.56Å; C666-H679 PolarHBondContact SG-NE2 2.96Å; C666-H683 WeakPolarHBondContact CB-NE2 3.14Å; C666-H683 PolarHBondContact SG-NE2 3.11Å
667	G	65.4	Low	67.8	Low	25 Å²	25	49.1 Å²	49.1	26%	0.258	28%	0.282	S	S	.	.			trans	74	18.1	-177.5	0	0	0	0	0	115	C663 Y669	C663-G667 VanDerWaalsContact O-CA 3.29Å; C663-G667 WeakPolarHBondContact O-CA 3.36Å; C663-G667 PolarHBondContact O-N 3.01Å; G667-Y669 WeakPolarHBondContact O-CD2 3.48Å; G667-Y669 WeakPolarHBondContact O-CE2 3.19Å
668	H	67.6	Low	68.5	Low	27 Å²	27	56 Å²	56	13%	0.125	31%	0.306	C	S	.	.			trans	-67.1	141.9	170.9	-169.2	-78.9	0	0	0	110.6	T647 R662 C663 C666 S670 M676 H679	T647-H668 VanDerWaalsContact CG2-CD2 3.41Å; T647-H668 WeakPolarHBondContact CG2-CD2 3.45Å; R662-H668 WeakPolarHBondContact CA-O 3.37Å; C663-H668 HydrophobicContact CB-CB 4.12Å; C663-H668 PolarHBondContact N-O 3.06Å; C666-H668 VanDerWaalsContact C-N 3.34Å; C666-H668 VanDerWaalsContact SG-CB 3.56Å; H668-S670 PolarHBondContact CE1-OG 3.09Å; H668-S670 PolarHBondContact ND1-OG 3.41Å; H668-M676 WeakPolarHBondContact O-CE 3.48Å; H668-H679 VanDerWaalsContact CB-NE2 3.31Å; H668-H679 WeakPolarHBondContact CB-NE2 3.22Å; H668-H679 AromaticContact CD2-CE1 3.59Å; H668-H679 AromaticContact CD2-ND1 3.85Å; H668-H679 AromaticContact CG-CE1 3.6Å; H668-H679 AromaticContact CG-ND1 3.93Å; H668-H679 AromaticContact CG-NE2 3.67Å
669	Y	70	Confident	69.2	Low	26 Å²	26	55.7 Å²	55.7	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139	172.1	-68	-91.7	0	0	0	109.7	F642 C650 H651 T654 M660 Y661 R662 G667 T696	F642-Y669 HydrophobicContact CE1-CD2 4.21Å; F642-Y669 HydrophobicContact CE1-CE2 4.07Å; C650-Y669 WeakPolarHBondContact CB-O 3.5Å; C650-Y669 PolarHBondContact SG-O 2.89Å; H651-Y669 HydrophobicContact CB-CD2 4.33Å; T654-Y669 HydrophobicContact CG2-CD1 4.35Å; M660-Y669 HydrophobicContact CB-CD1 4.43Å; Y661-Y669 CarbonylContact O-C 3.43Å; Y661-Y669 WeakPolarHBondContact O-CA 3.48Å; R662-Y669 HydrophobicContact CB-CD1 4.09Å; R662-Y669 HydrophobicContact CB-CE1 3.92Å; R662-Y669 HydrophobicContact CG-CD1 4.33Å; R662-Y669 HydrophobicContact CG-CE1 3.89Å; G667-Y669 WeakPolarHBondContact O-CD2 3.48Å; G667-Y669 WeakPolarHBondContact O-CE2 3.19Å; Y669-T696 HydrophobicContact CE1-CG2 4.32Å
670	S	69.8	Low	69.5	Low	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.4	176.7	-60.7	0	0	0	0	110.2	Y661 H668 T672 M676	Y661-S670 PolarHBondContact N-O 2.98Å; Y661-S670 PolarHBondContact O-N 3.44Å; H668-S670 PolarHBondContact CE1-OG 3.09Å; H668-S670 PolarHBondContact ND1-OG 3.41Å; S670-T672 VanDerWaalsContact C-N 3.26Å; S670-T672 PolarHBondContact O-N 2.94Å; S670-M676 WeakPolarHBondContact OG-CE 3.25Å
671	S	64.8	Low	69.6	Low	60 Å²	60	53.1 Å²	53.1	42%	0.42	30%	0.296	S	S	.	.	S	Bend	trans	-75.6	-8.1	177.7	55.1	0	0	0	0	114.6
672	T	67.7	Low	69.5	Low	69 Å²	69	54.5 Å²	54.5	42%	0.423	31%	0.309	S	S	.	.	S	Bend	trans	-143.1	147.5	179.7	60.7	0	0	0	0	111.8	Y661 S670 N674 L675 M676	Y661-T672 VanDerWaalsContact CD2-C 3.45Å; S670-T672 VanDerWaalsContact C-N 3.26Å; S670-T672 PolarHBondContact O-N 2.94Å; T672-N674 VanDerWaalsContact C-N 3.32Å; T672-N674 PolarHBondContact O-N 2.77Å; T672-L675 PolarHBondContact O-N 3.27Å; T672-L675 WeakPolarHBondContact OG1-CB 3.25Å; T672-M676 PolarHBondContact O-N 2.68Å; T672-M676 VanDerWaalsContact O-N 3.12Å
673	L	71.8	Confident	69.2	Low	77 Å²	77	50.9 Å²	50.9	40%	0.403	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-41	178.2	-176.2	59.5	0	0	0	111.7	Y661 L675 M676 S677 I693	Y661-L673 HydrophobicContact CD1-CB 4.19Å; Y661-L673 HydrophobicContact CD1-CD1 3.79Å; Y661-L673 HydrophobicContact CE1-CB 3.74Å; Y661-L673 HydrophobicContact CE1-CD1 3.83Å; Y661-L673 HydrophobicContact CE1-CG 4.25Å; Y661-L673 HydrophobicContact CE2-CB 4.23Å; Y661-L673 VanDerWaalsContact CE2-N 3.35Å; L673-L675 VanDerWaalsContact C-N 3.31Å; L673-L675 PolarHBondContact O-N 3.24Å; L673-M676 CarbonylContact O-C 3.41Å; L673-M676 WeakPolarHBondContact O-CA 3.45Å; L673-M676 WeakPolarHBondContact O-CB 3.36Å; L673-M676 PolarHBondContact O-N 2.62Å; L673-S677 PolarHBondContact O-N 3.23Å; L673-I693 HydrophobicContact CD1-CD1 3.94Å; L673-I693 HydrophobicContact CD1-CG2 4.17Å
674	N	72.2	Confident	68.3	Low	126 Å²	126	58.7 Å²	58.7	67%	0.674	33%	0.33	S	S	*	.	H	α-helix	trans	-62.1	-36	179.7	-68.7	-8.2	0	0	0	112.8	T672 K678	T672-N674 VanDerWaalsContact C-N 3.32Å; T672-N674 PolarHBondContact O-N 2.77Å; N674-K678 WeakPolarHBondContact O-CG 3.4Å; N674-K678 PolarHBondContact O-N 3.1Å
675	L	73.8	Confident	67.8	Low	90 Å²	90	60 Å²	60	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-73.8	-34.1	174.1	-175.2	61.7	0	0	0	111.4	T672 L673 H679	T672-L675 PolarHBondContact O-N 3.27Å; T672-L675 WeakPolarHBondContact OG1-CB 3.25Å; L673-L675 VanDerWaalsContact C-N 3.31Å; L673-L675 PolarHBondContact O-N 3.24Å; L675-H679 VanDerWaalsContact O-CB 3.32Å; L675-H679 WeakPolarHBondContact O-CB 3.32Å; L675-H679 PolarHBondContact O-N 2.83Å
676	M	73.4	Confident	67.1	Low	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-45.1	174	-172.5	52.1	75.1	0	0	112.4	Y661 C663 H668 S670 T672 L673 K678 H679 V680 I693	Y661-M676 WeakPolarHBondContact O-CE 3.49Å; C663-M676 HydrophobicContact CB-CE 4.06Å; C663-M676 HydrophobicContact CB-SD 3.68Å; H668-M676 WeakPolarHBondContact O-CE 3.48Å; S670-M676 WeakPolarHBondContact OG-CE 3.25Å; T672-M676 PolarHBondContact O-N 2.68Å; T672-M676 VanDerWaalsContact O-N 3.12Å; L673-M676 CarbonylContact O-C 3.41Å; L673-M676 WeakPolarHBondContact O-CA 3.45Å; L673-M676 WeakPolarHBondContact O-CB 3.36Å; L673-M676 PolarHBondContact O-N 2.62Å; M676-K678 PolarHBondContact O-N 2.93Å; M676-H679 CarbonylContact O-C 3.57Å; M676-H679 WeakPolarHBondContact O-CA 3.48Å; M676-H679 WeakPolarHBondContact O-CB 3.46Å; M676-H679 PolarHBondContact O-N 3.02Å; M676-H679 VanDerWaalsContact O-N 3.07Å; M676-H679 HydrophobicContact SD-CB 4.41Å; M676-V680 HydrophobicContact CG-CG2 4.39Å; M676-V680 WeakPolarHBondContact O-CG2 3.24Å; M676-V680 PolarHBondContact O-N 3.39Å; M676-V680 HydrophobicContact SD-CG2 4.24Å; M676-I693 HydrophobicContact CB-CG2 4.46Å; M676-I693 HydrophobicContact CG-CD1 4.03Å; M676-I693 HydrophobicContact CG-CG1 4.26Å; M676-I693 HydrophobicContact CG-CG2 3.63Å
677	S	74.3	Confident	66.3	Low	71 Å²	71	62.3 Å²	62.3	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-59.1	-46.1	176.6	177.8	0	0	0	0	111.8	L673 H679 V680 G681	L673-S677 PolarHBondContact O-N 3.23Å; S677-H679 VanDerWaalsContact C-N 3.31Å; S677-H679 PolarHBondContact O-N 3.25Å; S677-V680 PolarHBondContact O-N 2.96Å; S677-G681 PolarHBondContact O-N 3.49Å
678	K	72.3	Confident	65.7	Low	164 Å²	164	65.1 Å²	65.1	71%	0.713	38%	0.382	S	S	*	.	H	α-helix	trans	-59.6	-39.4	172.2	-73.4	-179.1	178.6	-175.2	0	112.7	N674 M676 G681	N674-K678 WeakPolarHBondContact O-CG 3.4Å; N674-K678 PolarHBondContact O-N 3.1Å; M676-K678 PolarHBondContact O-N 2.93Å; K678-G681 PolarHBondContact O-N 2.94Å
679	H	73.3	Confident	64.9	Low	29 Å²	29	69.8 Å²	69.8	13%	0.134	42%	0.415	C	S	.	.	H	α-helix	trans	-66	-42.2	175.7	174.6	78.1	0	0	0	112.6	C666 H668 L675 M676 S677 G681 V682	C666-H679 PolarHBondContact SG-NE2 2.96Å; H668-H679 VanDerWaalsContact CB-NE2 3.31Å; H668-H679 WeakPolarHBondContact CB-NE2 3.22Å; H668-H679 AromaticContact CD2-CE1 3.59Å; H668-H679 AromaticContact CD2-ND1 3.85Å; H668-H679 AromaticContact CG-CE1 3.6Å; H668-H679 AromaticContact CG-ND1 3.93Å; H668-H679 AromaticContact CG-NE2 3.67Å; L675-H679 VanDerWaalsContact O-CB 3.32Å; L675-H679 WeakPolarHBondContact O-CB 3.32Å; L675-H679 PolarHBondContact O-N 2.83Å; M676-H679 CarbonylContact O-C 3.57Å; M676-H679 WeakPolarHBondContact O-CA 3.48Å; M676-H679 WeakPolarHBondContact O-CB 3.46Å; M676-H679 PolarHBondContact O-N 3.02Å; M676-H679 VanDerWaalsContact O-N 3.07Å; M676-H679 HydrophobicContact SD-CB 4.41Å; S677-H679 VanDerWaalsContact C-N 3.31Å; S677-H679 PolarHBondContact O-N 3.25Å; H679-G681 PolarHBondContact O-N 2.77Å; H679-V682 VanDerWaalsContact O-CB 3.25Å; H679-V682 WeakPolarHBondContact O-CB 3.45Å; H679-V682 PolarHBondContact O-N 2.8Å
680	V	67.9	Low	63.9	Low	19 Å²	19	75 Å²	75	12%	0.115	45%	0.445	C	S	.	.	H	α-helix	trans	-61.9	-33.7	174.8	171.3	0	0	0	0	111.3	M676 S677 V682 H683 L687 F691 I693	M676-V680 HydrophobicContact CG-CG2 4.39Å; M676-V680 WeakPolarHBondContact O-CG2 3.24Å; M676-V680 PolarHBondContact O-N 3.39Å; M676-V680 HydrophobicContact SD-CG2 4.24Å; S677-V680 PolarHBondContact O-N 2.96Å; V680-V682 PolarHBondContact O-N 3.38Å; V680-V682 VanDerWaalsContact O-N 3.1Å; V680-H683 WeakPolarHBondContact O-CA 3.32Å; V680-H683 WeakPolarHBondContact O-CB 3.3Å; V680-H683 PolarHBondContact O-N 2.84Å; V680-L687 HydrophobicContact CG1-CD1 4.24Å; V680-F691 HydrophobicContact CB-CE1 4.13Å; V680-F691 HydrophobicContact CB-CZ 4.39Å; V680-F691 HydrophobicContact CG1-CD1 3.87Å; V680-F691 HydrophobicContact CG1-CE1 3.44Å; V680-F691 VanDerWaalsContact CG1-CE1 3.44Å; V680-F691 HydrophobicContact CG1-CZ 3.98Å; V680-F691 HydrophobicContact CG2-CE1 3.5Å; V680-F691 HydrophobicContact CG2-CZ 3.44Å; V680-F691 VanDerWaalsContact CG2-CZ 3.44Å; V680-I693 HydrophobicContact CG2-CD1 4.4Å; V680-I693 HydrophobicContact CG2-CG1 4.39Å
681	G	69.9	Low	63.3	Low	38 Å²	38	77.2 Å²	77.2	39%	0.392	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-54.9	-24.3	169.4	0	0	0	0	0	114.7	S677 K678 H679 H683 K684	S677-G681 PolarHBondContact O-N 3.49Å; K678-G681 PolarHBondContact O-N 2.94Å; H679-G681 PolarHBondContact O-N 2.77Å; G681-H683 VanDerWaalsContact C-N 3.34Å; G681-K684 WeakPolarHBondContact O-CG 2.91Å
682	V	67.6	Low	63	Low	83 Å²	83	79 Å²	79	50%	0.503	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-78.4	-18	175.4	-170.2	0	0	0	0	112.1	K612 H679 V680 K684	K612-V682 PolarHBondContact NZ-O 2.95Å; H679-V682 VanDerWaalsContact O-CB 3.25Å; H679-V682 WeakPolarHBondContact O-CB 3.45Å; H679-V682 PolarHBondContact O-N 2.8Å; V680-V682 PolarHBondContact O-N 3.38Å; V680-V682 VanDerWaalsContact O-N 3.1Å; V682-K684 VanDerWaalsContact C-N 3.29Å; V682-K684 PolarHBondContact O-N 3.28Å
683	H	65.7	Low	62.9	Low	17 Å²	17	78.3 Å²	78.3	8%	0.079	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-80.6	-1.1	174.7	-65.3	-47.7	0	0	0	114.2	C666 V680 G681 G685 S686 L687	C666-H683 WeakPolarHBondContact CB-NE2 3.14Å; C666-H683 PolarHBondContact SG-NE2 3.11Å; V680-H683 WeakPolarHBondContact O-CA 3.32Å; V680-H683 WeakPolarHBondContact O-CB 3.3Å; V680-H683 PolarHBondContact O-N 2.84Å; G681-H683 VanDerWaalsContact C-N 3.34Å; H683-G685 PolarHBondContact O-N 3.21Å; H683-G685 VanDerWaalsContact O-N 3.14Å; H683-S686 PolarHBondContact O-N 3.49Å; H683-L687 HydrophobicContact CB-CD1 4.07Å; H683-L687 HydrophobicContact CB-CD2 3.88Å; H683-L687 HydrophobicContact CB-CG 3.89Å
684	K	54.3	Low	62.4	Low	164 Å²	164	78.8 Å²	78.8	71%	0.713	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	122.7	168.9	-80.5	-177.9	174.6	-172.1	0	111	K612 G681 V682	K612-K684 WeakPolarHBondContact CE-O 3.45Å; K612-K684 PolarHBondContact NZ-O 3.32Å; G681-K684 WeakPolarHBondContact O-CG 2.91Å; V682-K684 VanDerWaalsContact C-N 3.29Å; V682-K684 PolarHBondContact O-N 3.28Å
685	G	53.3	Low	61.5	Low	85 Å²	85	78.1 Å²	78.1	88%	0.876	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-8.2	-172.2	0	0	0	0	0	116.1	H683	H683-G685 PolarHBondContact O-N 3.21Å; H683-G685 VanDerWaalsContact O-N 3.14Å
686	S	49.5	Very low	60.6	Low	69 Å²	69	75.5 Å²	75.5	48%	0.483	44%	0.437	S	S	.	.	S	Bend	trans	-154.5	59.5	176.3	67.5	0	0	0	0	112.5	H683	H683-S686 PolarHBondContact O-N 3.49Å
687	L	48.5	Very low	59.4	Low	69 Å²	69	81.3 Å²	81.3	36%	0.361	46%	0.462	S	S	.	.			trans	-127.1	123.4	176.7	-73.2	168.5	0	0	0	109.4	V665 V680 H683 F691	V665-L687 HydrophobicContact CG2-CD2 3.91Å; V680-L687 HydrophobicContact CG1-CD1 4.24Å; H683-L687 HydrophobicContact CB-CD1 4.07Å; H683-L687 HydrophobicContact CB-CD2 3.88Å; H683-L687 HydrophobicContact CB-CG 3.89Å; L687-F691 HydrophobicContact CD2-CB 4.11Å; L687-F691 HydrophobicContact CD2-CD1 4.38Å; L687-F691 HydrophobicContact CD2-CD2 3.64Å; L687-F691 HydrophobicContact CD2-CE2 4.2Å; L687-F691 HydrophobicContact CD2-CG 3.75Å
688	P	51.3	Low	57.7	Low	84 Å²	84	82.6 Å²	82.6	55%	0.545	46%	0.462	S	S	.	.			trans	-62.3	159.9	162.7	-18.9	32.9	0	0	0	111.1	D690	P688-D690 PolarHBondContact O-N 2.81Å
689	P	51	Low	56.1	Low	125 Å²	125	84.3 Å²	84.3	81%	0.812	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.5	178	23.9	-32.5	0	0	0	112.8	F691	P689-F691 VanDerWaalsContact C-N 3.27Å; P689-F691 PolarHBondContact O-N 2.92Å
690	D	50	Low	54.4	Low	137 Å²	137	88.5 Å²	88.5	73%	0.733	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	25.7	-172.7	-43.6	-64	0	0	0	114.1	P688 T692	P688-D690 PolarHBondContact O-N 2.81Å; D690-T692 PolarHBondContact O-N 2.9Å
691	F	56	Low	52.7	Low	46 Å²	46	93.3 Å²	93.3	20%	0.202	51%	0.512	C	S	.	.			trans	-68.9	115.7	-178.8	176.3	-87.7	0	0	0	112	T664 V665 V680 L687 P689 I693	T664-F691 WeakPolarHBondContact OG1-CE2 3.26Å; V665-F691 HydrophobicContact CB-CE2 4.45Å; V665-F691 HydrophobicContact CG2-CD2 3.75Å; V665-F691 HydrophobicContact CG2-CE2 3.71Å; V680-F691 HydrophobicContact CB-CE1 4.13Å; V680-F691 HydrophobicContact CB-CZ 4.39Å; V680-F691 HydrophobicContact CG1-CD1 3.87Å; V680-F691 HydrophobicContact CG1-CE1 3.44Å; V680-F691 VanDerWaalsContact CG1-CE1 3.44Å; V680-F691 HydrophobicContact CG1-CZ 3.98Å; V680-F691 HydrophobicContact CG2-CE1 3.5Å; V680-F691 HydrophobicContact CG2-CZ 3.44Å; V680-F691 VanDerWaalsContact CG2-CZ 3.44Å; L687-F691 HydrophobicContact CD2-CB 4.11Å; L687-F691 HydrophobicContact CD2-CD1 4.38Å; L687-F691 HydrophobicContact CD2-CD2 3.64Å; L687-F691 HydrophobicContact CD2-CE2 4.2Å; L687-F691 HydrophobicContact CD2-CG 3.75Å; P689-F691 VanDerWaalsContact C-N 3.27Å; P689-F691 PolarHBondContact O-N 2.92Å; F691-I693 HydrophobicContact CE1-CG1 3.74Å; F691-I693 HydrophobicContact CZ-CG1 4.23Å
692	T	59.4	Low	51	Low	98 Å²	98	98.8 Å²	98.8	60%	0.601	53%	0.527	S	S	*	.			trans	-112.6	153.8	173	55.9	0	0	0	0	112	D690	D690-T692 PolarHBondContact O-N 2.9Å
693	I	66.4	Low	49.2	Very low	54 Å²	54	99.5 Å²	99.5	28%	0.277	54%	0.535	S	S	.	.			trans	-96.1	111.3	175.1	-62.3	173.2	0	0	0	108.8	Y661 L673 M676 V680 F691	Y661-I693 HydrophobicContact CD1-CG2 4.09Å; L673-I693 HydrophobicContact CD1-CD1 3.94Å; L673-I693 HydrophobicContact CD1-CG2 4.17Å; M676-I693 HydrophobicContact CB-CG2 4.46Å; M676-I693 HydrophobicContact CG-CD1 4.03Å; M676-I693 HydrophobicContact CG-CG1 4.26Å; M676-I693 HydrophobicContact CG-CG2 3.63Å; V680-I693 HydrophobicContact CG2-CD1 4.4Å; V680-I693 HydrophobicContact CG2-CG1 4.39Å; F691-I693 HydrophobicContact CE1-CG1 3.74Å; F691-I693 HydrophobicContact CZ-CG1 4.23Å
694	E	60.5	Low	47.5	Very low	87 Å²	87	108.5 Å²	108.5	41%	0.407	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.6	130.9	175.6	-70	176.1	173.1	0	0	111.5	R662 T664	R662-E694 PolarHBondContact N-O 3.45Å; T664-E694 VanDerWaalsContact CG2-CD 3.46Å; T664-E694 HydrophobicContact CG2-CG 3.74Å
695	Q	53.4	Low	46.4	Very low	111 Å²	111	107.6 Å²	107.6	52%	0.519	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.5	115.7	165	-62.3	-172.5	10.5	0	0	108.8	Y661 F697	Y661-Q695 HydrophobicContact CD1-CG 4.02Å; Y661-Q695 HydrophobicContact CE1-CG 3.81Å; Q695-F697 HydrophobicContact CB-CD2 4.27Å; Q695-F697 HydrophobicContact CB-CE2 3.6Å; Q695-F697 HydrophobicContact CB-CZ 4.14Å; Q695-F697 VanDerWaalsContact OE1-CZ 3.27Å
696	T	55.4	Low	45.5	Very low	36 Å²	36	108.5 Å²	108.5	22%	0.221	57%	0.572	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.9	100.8	174.8	-55.7	0	0	0	0	109.4	M660 R662 Y669	M660-T696 PolarHBondContact N-O 3.11Å; M660-T696 CarbonylContact O-C 3.51Å; M660-T696 WeakPolarHBondContact O-CA 3.46Å; M660-T696 WeakPolarHBondContact O-CB 3.33Å; M660-T696 PolarHBondContact O-N 2.8Å; M660-T696 VanDerWaalsContact O-O 3.14Å; R662-T696 WeakPolarHBondContact CB-OG1 3.46Å; Y669-T696 HydrophobicContact CE1-CG2 4.32Å
697	F	47.8	Very low	45.1	Very low	121 Å²	121	114 Å²	114	53%	0.531	59%	0.59	S	S	.	*			trans	-74.8	168.4	170.2	-65.8	-88	0	0	0	111.4	L659 Q695 Y699	L659-F697 HydrophobicContact CD2-CD1 3.51Å; L659-F697 HydrophobicContact CD2-CE1 3.99Å; L659-F697 HydrophobicContact CD2-CG 4.4Å; Q695-F697 HydrophobicContact CB-CD2 4.27Å; Q695-F697 HydrophobicContact CB-CE2 3.6Å; Q695-F697 HydrophobicContact CB-CZ 4.14Å; Q695-F697 VanDerWaalsContact OE1-CZ 3.27Å; F697-Y699 PolarHBondContact O-N 3Å
698	M	38.8	Very low	44.6	Very low	99 Å²	99	119.7 Å²	119.7	49%	0.488	61%	0.611	S	S	.	*			trans	-59.7	131.2	-175.7	-70.1	-176	53.7	0	0	112.7	G657 I700	G657-M698 VanDerWaalsContact CA-CE 3.5Å; G657-M698 WeakPolarHBondContact CA-SD 3.25Å; G657-M698 WeakPolarHBondContact O-CG 3.17Å; M698-I700 HydrophobicContact CE-CD1 4.04Å; M698-I700 HydrophobicContact CE-CG1 3.63Å
699	Y	38.8	Very low	43.6	Very low	199 Å²	199	122 Å²	122	78%	0.78	62%	0.619	S	S	*	*			trans	-104.3	107.1	152	-90.3	-96.9	0	0	0	108.2	F697 I701	F697-Y699 PolarHBondContact O-N 3Å; Y699-I701 PolarHBondContact O-N 3.06Å
700	I	37.2	Very low	43.1	Very low	118 Å²	118	121.1 Å²	121.1	61%	0.605	61%	0.614	S	S	*	*			trans	-74.1	105.1	161.5	-55.7	177.5	0	0	0	106.1	M698 H702	M698-I700 HydrophobicContact CE-CD1 4.04Å; M698-I700 HydrophobicContact CE-CG1 3.63Å; I700-H702 VanDerWaalsContact CG2-CD2 3.48Å; I700-H702 WeakPolarHBondContact CG2-CD2 3.26Å; I700-H702 PolarHBondContact O-N 3.28Å
701	I	32.8	Very low	42.6	Very low	120 Å²	120	122.1 Å²	122.1	62%	0.615	62%	0.619	S	S	*	*			trans	-79.1	82.1	172.2	-54	179.8	0	0	0	108	Y699	Y699-I701 PolarHBondContact O-N 3.06Å
702	H	34.3	Very low	41.6	Very low	153 Å²	153	128.2 Å²	128.2	71%	0.708	67%	0.667	S	S	*	*			trans	-68.1	168.7	144.7	-77.9	-79.4	0	0	0	109.3	I700	I700-H702 VanDerWaalsContact CG2-CD2 3.48Å; I700-H702 WeakPolarHBondContact CG2-CD2 3.26Å; I700-H702 PolarHBondContact O-N 3.28Å
703	S	28.3	Very low	40.7	Very low	97 Å²	97	129.8 Å²	129.8	68%	0.678	67%	0.671	S	S	*	*			trans	72.5	84.9	-171.1	-52.4	0	0	0	0	114.7
704	K	29.6	Very low	39.3	Very low	206 Å²	206	133.7 Å²	133.7	90%	0.896	69%	0.691	S	S	*	*				-102	117	124.8	-174.2	177.3	-176.6	-177.6	0	105.7
705	E	32.6	Very low	38.2	Very low	146 Å²	146	136.3 Å²	136.3	68%	0.682	71%	0.707	S	S	*	*			trans	-60.7	142.5	-172.8	-68.3	92.2	163.7	0	0	112.6	E707	E705-E707 PolarHBondContact O-N 2.96Å; E705-E707 VanDerWaalsContact O-N 3.1Å
706	A	34.2	Very low	37.3	Very low	104 Å²	104	137.8 Å²	137.8	86%	0.86	72%	0.718	S	S	*	*			trans	-83.2	62.6	170.1	0	0	0	0	0	110.3	K708	A706-K708 PolarHBondContact O-N 3.19Å
707	E	40.9	Very low	36.1	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	75%	0.749	S	S	*	*			trans	-69.9	82.6	166.4	-76.7	-151	141.8	0	0	110.1	E705	E705-E707 PolarHBondContact O-N 2.96Å; E705-E707 VanDerWaalsContact O-N 3.1Å
708	K	38.8	Very low	35.3	Very low	188 Å²	188	145.7 Å²	145.7	82%	0.817	76%	0.764	S	S	*	*			trans	-162.3	80.4	161.4	-114.6	-178.4	-177.3	-168.6	0	111.1	A706	A706-K708 PolarHBondContact O-N 3.19Å
709	N	29.8	Very low	35.1	Very low	131 Å²	131	149.1 Å²	149.1	70%	0.701	78%	0.784	S	S	*	*			trans	-175.7	98.7	139	-106.9	31	0	0	0	110.4
710	P	41.2	Very low	34.8	Very low	108 Å²	108	145.2 Å²	145.2	70%	0.701	78%	0.784	S	S	*	*	S	Bend		-69.9	155	122.4	35.1	-30.4	0	0	0	109.7
711	D	38.1	Very low	34.6	Very low	158 Å²	158	147.5 Å²	147.5	85%	0.845	80%	0.799	S	S	*	*			trans	56.7	80.4	168.9	-53.4	-30.8	0	0	0	118
712	S	35	Very low	34.8	Very low	174 Å²	174	150 Å²	150	100%	1.217	82%	0.815	S	S	*	*				-164.8	0	123.3	-173.2	0	0	0	0	111.9

Retrieved 712 of 712 residues in 151.6 ms (Link to these results)

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