A0A093HWR2_STRCA Loading...

Zinc finger and BTB domain-containing protein 39

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A093HWR2, Species STRCA (Struthio camelus australis), Gene n/a, Length 711 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	37.3	Very low	42.8	Very low	217 Å²	217	107.1 Å²	107.1	100%	1.069	57%	0.566	S	S	*	*				0	146.2	0	-66.9	174	177.4	0	0	107.2
2	G	41	Very low	43	Very low	55 Å²	55	108.7 Å²	108.7	57%	0.567	57%	0.567	S	S	*	*			trans	-104.6	131.9	-178.2	0	0	0	0	0	112.2	D31	G2-D31 CarbonylContact C-O 3.57Å; G2-D31 WeakPolarHBondContact CA-O 3.12Å
3	M	41.3	Very low	43.2	Very low	87 Å²	87	104.2 Å²	104.2	43%	0.429	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.7	173.9	-80.4	179.5	64.7	0	0	110.5	D31 V32 T33	M3-D31 PolarHBondContact N-O 3.06Å; M3-V32 WeakPolarHBondContact O-CA 3.16Å; M3-T33 PolarHBondContact O-N 2.99Å
4	R	45.9	Very low	43.2	Very low	200 Å²	200	103.1 Å²	103.1	76%	0.755	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.7	173.9	-69.6	-178.4	-178.7	173.5	2.4	110.3	T33 L35	R4-T33 VanDerWaalsContact CA-O 3.31Å; R4-T33 WeakPolarHBondContact CA-O 3.38Å; R4-L35 HydrophobicContact CB-CD1 4.32Å
5	I	46.3	Very low	43.5	Very low	26 Å²	26	101.1 Å²	101.1	13%	0.133	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.6	177.4	-58.1	177.6	0	0	0	107.5	L7 L20 V32 T33 I34 L35	I5-L7 HydrophobicContact CG2-CD2 4.47Å; I5-L20 HydrophobicContact CD1-CD2 3.99Å; I5-V32 HydrophobicContact CD1-CG1 3.73Å; I5-V32 HydrophobicContact CG1-CG1 4.2Å; I5-T33 PolarHBondContact N-O 3Å; I5-I34 CarbonylContact O-C 3.59Å; I5-I34 WeakPolarHBondContact O-CA 3.42Å; I5-L35 PolarHBondContact O-N 3.06Å
6	K	46.2	Very low	43.9	Very low	130 Å²	130	95.6 Å²	95.6	57%	0.565	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.5	-171.4	-167	-179	-179.9	-167.7	0	111.4	L35	K6-L35 HydrophobicContact CB-CB 4.21Å; K6-L35 HydrophobicContact CG-CB 3.95Å
7	L	44.2	Very low	44	Very low	27 Å²	27	94.7 Å²	94.7	14%	0.141	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.4	-177.1	-63	176.9	0	0	0	111.3	I5 L16 I34 L35 G37	I5-L7 HydrophobicContact CG2-CD2 4.47Å; L7-L16 HydrophobicContact CD1-CB 4.09Å; L7-L16 HydrophobicContact CD1-CD1 3.74Å; L7-L16 HydrophobicContact CD1-CG 4.33Å; L7-I34 HydrophobicContact CD1-CG2 3.78Å; L7-I34 HydrophobicContact CG-CG2 4.29Å; L7-L35 PolarHBondContact N-O 3.21Å; L7-G37 PolarHBondContact O-N 3.15Å
8	H	41.4	Very low	44.1	Very low	105 Å²	105	97.3 Å²	97.3	49%	0.486	51%	0.506	S	S	.	.			trans	-102.5	147.4	176.3	-60.8	82.2	0	0	0	109.4	T10 N11	H8-T10 PolarHBondContact O-N 2.76Å; H8-N11 PolarHBondContact O-N 3.42Å; H8-N11 PolarHBondContact O-ND2 3.03Å; H8-N11 VanDerWaalsContact O-ND2 3.15Å
9	S	39.8	Very low	44.4	Very low	125 Å²	125	96 Å²	96	87%	0.874	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	4.2	-159.7	53.5	0	0	0	0	116.5
10	T	43.4	Very low	44.6	Very low	131 Å²	131	93.1 Å²	93.1	80%	0.804	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.3	172.5	47.1	0	0	0	0	113.4	H8	H8-T10 PolarHBondContact O-N 2.76Å
11	N	43.9	Very low	44.5	Very low	75 Å²	75	94.9 Å²	94.9	40%	0.401	49%	0.492	S	S	.	.			trans	-84.6	121.4	-175.9	-78.3	-80.3	0	0	0	113.5	H8 N15	H8-N11 PolarHBondContact O-N 3.42Å; H8-N11 PolarHBondContact O-ND2 3.03Å; H8-N11 VanDerWaalsContact O-ND2 3.15Å; N11-N15 HydrophobicContact CB-CB 4.48Å; N11-N15 PolarHBondContact OD1-ND2 3.13Å
12	H	45.9	Very low	44.9	Very low	126 Å²	126	91.3 Å²	91.3	58%	0.583	47%	0.471	S	S	*	.			trans	-61.9	145.3	169.5	-156.8	-100.5	0	0	0	111	N14 N15	H12-N14 PolarHBondContact O-N 2.9Å; H12-N15 PolarHBondContact O-N 2.83Å
13	P	45.5	Very low	45.1	Very low	51 Å²	51	90.4 Å²	90.4	33%	0.331	46%	0.455	S	S	.	.	H	α-helix	trans	-54.2	-24.5	-174.9	16.3	-31.9	0	0	0	115.5	N15 L16 L17 Y54	P13-N15 VanDerWaalsContact C-N 3.29Å; P13-N15 PolarHBondContact O-N 3.37Å; P13-L16 WeakPolarHBondContact O-CB 3.38Å; P13-L16 PolarHBondContact O-N 2.87Å; P13-L17 PolarHBondContact O-N 3.18Å; P13-Y54 HydrophobicContact CG-CD2 4.44Å
14	N	43	Very low	45.2	Very low	88 Å²	88	97.5 Å²	97.5	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-30.6	176.9	-63.5	-0.7	0	0	0	112.9	H12 L17 K18	H12-N14 PolarHBondContact O-N 2.9Å; N14-L17 PolarHBondContact O-N 2.9Å; N14-K18 PolarHBondContact O-N 3.42Å; N14-K18 VanDerWaalsContact O-N 3.14Å
15	N	47.9	Very low	44.9	Very low	73 Å²	73	93.6 Å²	93.6	39%	0.39	47%	0.471	S	S	.	.	H	α-helix	trans	-69.2	-34	176.2	-80.2	-4.4	0	0	0	112	N11 H12 P13 K18 E19	N11-N15 HydrophobicContact CB-CB 4.48Å; N11-N15 PolarHBondContact OD1-ND2 3.13Å; H12-N15 PolarHBondContact O-N 2.83Å; P13-N15 VanDerWaalsContact C-N 3.29Å; P13-N15 PolarHBondContact O-N 3.37Å; N15-K18 PolarHBondContact O-N 3.47Å; N15-E19 PolarHBondContact O-N 3.24Å
16	L	49.3	Very low	44.4	Very low	14 Å²	14	96.5 Å²	96.5	7%	0.073	49%	0.494	C	S	.	.	H	α-helix	trans	-62.1	-44.8	175.5	161.1	62.8	0	0	0	111.3	L7 P13 K18 L20 I34 C50	L7-L16 HydrophobicContact CD1-CB 4.09Å; L7-L16 HydrophobicContact CD1-CD1 3.74Å; L7-L16 HydrophobicContact CD1-CG 4.33Å; P13-L16 WeakPolarHBondContact O-CB 3.38Å; P13-L16 PolarHBondContact O-N 2.87Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.28Å; L16-L20 HydrophobicContact CD1-CD1 3.71Å; L16-L20 HydrophobicContact CD1-CG 4.1Å; L16-L20 HydrophobicContact CG-CD1 4.3Å; L16-L20 WeakPolarHBondContact O-CG 3.28Å; L16-L20 PolarHBondContact O-N 3.15Å; L16-L20 VanDerWaalsContact O-N 3.13Å; L16-I34 HydrophobicContact CD1-CD1 3.7Å; L16-C50 HydrophobicContact CD2-CB 4.42Å
17	L	45.1	Very low	44.1	Very low	80 Å²	80	100.1 Å²	100.1	42%	0.419	51%	0.513	S	S	.	.	H	α-helix	trans	-63.9	-38	174.5	-110.4	70.1	0	0	0	112	P13 N14 L20 N21	P13-L17 PolarHBondContact O-N 3.18Å; N14-L17 PolarHBondContact O-N 2.9Å; L17-L20 PolarHBondContact O-N 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.43Å; L17-N21 PolarHBondContact O-N 3.45Å
18	K	46.9	Very low	43.9	Very low	142 Å²	142	103.7 Å²	103.7	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-65	-42.3	-178.7	-143.9	172	-172.5	178.5	0	112.2	N14 N15 L16 K22	N14-K18 PolarHBondContact O-N 3.42Å; N14-K18 VanDerWaalsContact O-N 3.14Å; N15-K18 PolarHBondContact O-N 3.47Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.28Å; K18-K22 PolarHBondContact O-N 3.42Å; K18-K22 VanDerWaalsContact O-N 3.15Å
19	E	49.9	Very low	43.9	Very low	72 Å²	72	107.9 Å²	107.9	34%	0.336	56%	0.558	S	S	.	*	H	α-helix	trans	-72.7	-35.9	175.7	-64.7	-49.2	117.8	0	0	113.1	N15 N21 K22 C23	N15-E19 PolarHBondContact O-N 3.24Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-K22 VanDerWaalsContact CD-NZ 3.32Å; E19-K22 PolarHBondContact O-N 2.84Å; E19-K22 VanDerWaalsContact OE1-CE 3.32Å; E19-K22 WeakPolarHBondContact OE1-CE 3.15Å; E19-K22 IonicContact OE1-NZ 3.92Å; E19-K22 PolarHBondContact OE1-NZ 2.94Å; E19-K22 WeakPolarHBondContact OE2-CD 3.23Å; E19-K22 IonicContact OE2-NZ 3.17Å; E19-K22 PolarHBondContact OE2-NZ 3.32Å; E19-K22 VanDerWaalsContact OE2-NZ 3.17Å; E19-C23 PolarHBondContact O-N 3.42Å; E19-C23 PolarHBondContact O-SG 2.94Å
20	L	47.8	Very low	43.9	Very low	38 Å²	38	104 Å²	104	20%	0.199	53%	0.53	C	S	.	.	H	α-helix	trans	-64.6	-37.8	173.2	-73.4	174.2	0	0	0	112	I5 L16 L17 C23 V32 I34 V47	I5-L20 HydrophobicContact CD1-CD2 3.99Å; L16-L20 HydrophobicContact CD1-CD1 3.71Å; L16-L20 HydrophobicContact CD1-CG 4.1Å; L16-L20 HydrophobicContact CG-CD1 4.3Å; L16-L20 WeakPolarHBondContact O-CG 3.28Å; L16-L20 PolarHBondContact O-N 3.15Å; L16-L20 VanDerWaalsContact O-N 3.13Å; L17-L20 PolarHBondContact O-N 3.31Å; L20-C23 WeakPolarHBondContact O-CB 3.37Å; L20-C23 PolarHBondContact O-N 3.32Å; L20-V32 HydrophobicContact CD2-CG1 4.28Å; L20-I34 HydrophobicContact CD1-CD1 4.49Å; L20-V47 HydrophobicContact CD1-CG2 3.62Å
21	N	42.8	Very low	44	Very low	130 Å²	130	104.1 Å²	104.1	70%	0.695	53%	0.526	S	S	*	.	H	α-helix	trans	-73.8	-26.4	177	-77.8	-13.1	0	0	0	113.9	L17 E19 C23	L17-N21 WeakPolarHBondContact O-CB 3.43Å; L17-N21 PolarHBondContact O-N 3.45Å; E19-N21 VanDerWaalsContact C-N 3.34Å; N21-C23 VanDerWaalsContact C-N 3.27Å
22	K	44.8	Very low	44	Very low	143 Å²	143	101.6 Å²	101.6	62%	0.622	51%	0.513	S	S	*	.	H	α-helix	trans	-64.1	-35	167.4	-76.1	175.4	-178.8	171.2	0	111.8	K18 E19 R24	K18-K22 PolarHBondContact O-N 3.42Å; K18-K22 VanDerWaalsContact O-N 3.15Å; E19-K22 VanDerWaalsContact CD-NZ 3.32Å; E19-K22 PolarHBondContact O-N 2.84Å; E19-K22 VanDerWaalsContact OE1-CE 3.32Å; E19-K22 WeakPolarHBondContact OE1-CE 3.15Å; E19-K22 IonicContact OE1-NZ 3.92Å; E19-K22 PolarHBondContact OE1-NZ 2.94Å; E19-K22 WeakPolarHBondContact OE2-CD 3.23Å; E19-K22 IonicContact OE2-NZ 3.17Å; E19-K22 PolarHBondContact OE2-NZ 3.32Å; E19-K22 VanDerWaalsContact OE2-NZ 3.17Å; K22-R24 PolarHBondContact O-N 2.99Å
23	C	46.7	Very low	44.1	Very low	35 Å²	35	97.4 Å²	97.4	24%	0.236	50%	0.496	C	S	.	.	S	Bend	trans	-73	74.7	174.1	-58.8	0	0	0	0	110.1	E19 L20 N21 L25	E19-C23 PolarHBondContact O-N 3.42Å; E19-C23 PolarHBondContact O-SG 2.94Å; L20-C23 WeakPolarHBondContact O-CB 3.37Å; L20-C23 PolarHBondContact O-N 3.32Å; N21-C23 VanDerWaalsContact C-N 3.27Å; C23-L25 PolarHBondContact O-N 2.92Å
24	R	41.9	Very low	44.2	Very low	236 Å²	236	95 Å²	95	89%	0.891	48%	0.481	S	S	*	.			trans	-54.2	99.5	166.2	-94.4	-174.7	166.3	-179.1	-3.9	108.8	K22 S26	K22-R24 PolarHBondContact O-N 2.99Å; R24-S26 PolarHBondContact O-N 3.23Å
25	L	40.7	Very low	44.3	Very low	118 Å²	118	92.5 Å²	92.5	62%	0.618	47%	0.467	S	S	*	.			trans	-72.2	85.1	174.1	-73.3	169.1	0	0	0	108.7	C23 C30	C23-L25 PolarHBondContact O-N 2.92Å; L25-C30 HydrophobicContact CD2-CB 4.38Å
26	S	35.5	Very low	44.1	Very low	88 Å²	88	92.4 Å²	92.4	62%	0.615	47%	0.469	S	S	*	.			trans	-54	157.5	159.4	51.2	0	0	0	0	110.2	R24 T28	R24-S26 PolarHBondContact O-N 3.23Å; S26-T28 PolarHBondContact O-N 2.76Å
27	E	40.2	Very low	44.2	Very low	206 Å²	206	93.8 Å²	93.8	96%	0.963	49%	0.486	S	S	*	.	S	Bend	trans	-66.9	11.8	-157.9	-60.3	166.5	115.4	0	0	116.7
28	T	40.5	Very low	44.1	Very low	102 Å²	102	95.7 Å²	95.7	63%	0.626	51%	0.507	S	S	*	.	S	Bend	trans	-99.7	118.8	170.5	54.6	0	0	0	0	110.7	S26 C30	S26-T28 PolarHBondContact O-N 2.76Å; T28-C30 PolarHBondContact O-N 2.86Å; T28-C30 PolarHBondContact O-SG 2.83Å
29	M	40.5	Very low	43.7	Very low	193 Å²	193	96.3 Å²	96.3	95%	0.951	51%	0.505	S	S	*	.			trans	-59.4	112.3	-178.1	-66.2	-161.6	-174.4	0	0	111.4
30	C	40.7	Very low	43.4	Very low	44 Å²	44	96.6 Å²	96.6	30%	0.297	52%	0.515	S	S	.	.			trans	-109.9	118.6	177.3	-68.3	0	0	0	0	109.8	L25 T28 V32	L25-C30 HydrophobicContact CD2-CB 4.38Å; T28-C30 PolarHBondContact O-N 2.86Å; T28-C30 PolarHBondContact O-SG 2.83Å; C30-V32 PolarHBondContact O-N 3.41Å
31	D	43.8	Very low	43.2	Very low	133 Å²	133	99 Å²	99	71%	0.711	52%	0.524	S	S	*	.			trans	-65.5	104.2	175	-76	-57.1	0	0	0	110.7	G2 M3	G2-D31 CarbonylContact C-O 3.57Å; G2-D31 WeakPolarHBondContact CA-O 3.12Å; M3-D31 PolarHBondContact N-O 3.06Å
32	V	45.2	Very low	43.5	Very low	21 Å²	21	95.7 Å²	95.7	13%	0.127	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.8	174.8	-175.3	0	0	0	0	109.4	M3 I5 L20 C30 I34 A43	M3-V32 WeakPolarHBondContact O-CA 3.16Å; I5-V32 HydrophobicContact CD1-CG1 3.73Å; I5-V32 HydrophobicContact CG1-CG1 4.2Å; L20-V32 HydrophobicContact CD2-CG1 4.28Å; C30-V32 PolarHBondContact O-N 3.41Å; V32-I34 HydrophobicContact CG1-CG1 4.39Å; V32-A43 HydrophobicContact CB-CB 3.92Å; V32-A43 HydrophobicContact CG1-CB 3.97Å; V32-A43 WeakPolarHBondContact O-CB 3.41Å; V32-A43 PolarHBondContact O-N 2.85Å
33	T	48.4	Very low	43.5	Very low	38 Å²	38	89.7 Å²	89.7	23%	0.233	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.5	172.5	7.1	0	0	0	0	110.8	M3 R4 I5 F41	M3-T33 PolarHBondContact O-N 2.99Å; R4-T33 VanDerWaalsContact CA-O 3.31Å; R4-T33 WeakPolarHBondContact CA-O 3.38Å; I5-T33 PolarHBondContact N-O 3Å; T33-F41 CarbonylContact C-O 3.56Å; T33-F41 WeakPolarHBondContact CA-O 3.32Å
34	I	46.3	Very low	43.5	Very low	1 Å²	1	93.4 Å²	93.4	1%	0.005	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.9	178.5	-57.4	179.6	0	0	0	108.3	I5 L7 L16 L20 V32 V36 S40 F41 A43 A46	I5-I34 CarbonylContact O-C 3.59Å; I5-I34 WeakPolarHBondContact O-CA 3.42Å; L7-I34 HydrophobicContact CD1-CG2 3.78Å; L7-I34 HydrophobicContact CG-CG2 4.29Å; L16-I34 HydrophobicContact CD1-CD1 3.7Å; L20-I34 HydrophobicContact CD1-CD1 4.49Å; V32-I34 HydrophobicContact CG1-CG1 4.39Å; I34-V36 HydrophobicContact CG2-CG2 4.17Å; I34-S40 CarbonylContact O-C 3.59Å; I34-S40 WeakPolarHBondContact O-CA 3.17Å; I34-F41 PolarHBondContact N-O 3.37Å; I34-F41 PolarHBondContact O-N 3.05Å; I34-A43 HydrophobicContact CD1-CB 3.73Å; I34-A43 HydrophobicContact CG1-CB 3.98Å; I34-A46 HydrophobicContact CD1-CB 4.22Å
35	L	45.6	Very low	43.5	Very low	35 Å²	35	89.6 Å²	89.6	18%	0.183	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114	172.8	-80.4	158.1	0	0	0	109.1	R4 I5 K6 L7 R39	R4-L35 HydrophobicContact CB-CD1 4.32Å; I5-L35 PolarHBondContact O-N 3.06Å; K6-L35 HydrophobicContact CB-CB 4.21Å; K6-L35 HydrophobicContact CG-CB 3.95Å; L7-L35 PolarHBondContact N-O 3.21Å; L35-R39 CarbonylContact C-O 3.46Å; L35-R39 WeakPolarHBondContact CA-O 3.44Å
36	V	44	Very low	43.6	Very low	72 Å²	72	84.6 Å²	84.6	44%	0.436	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106	169.2	-175.7	0	0	0	0	107.3	I34 S38 R39 F41	I34-V36 HydrophobicContact CG2-CG2 4.17Å; V36-S38 PolarHBondContact O-N 3.03Å; V36-R39 PolarHBondContact N-O 2.97Å; V36-R39 PolarHBondContact O-N 2.88Å; V36-F41 HydrophobicContact CB-CE2 4.18Å; V36-F41 HydrophobicContact CG2-CD2 4.31Å; V36-F41 HydrophobicContact CG2-CE2 4.4Å
37	G	51.1	Low	44	Very low	42 Å²	42	82 Å²	82	43%	0.433	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-120.5	-166.4	0	0	0	0	0	111.6	L7	L7-G37 PolarHBondContact O-N 3.15Å
38	S	41.8	Very low	44.3	Very low	121 Å²	121	75 Å²	75	85%	0.846	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	6.5	-179.2	57.3	0	0	0	0	115.1	V36	V36-S38 PolarHBondContact O-N 3.03Å
39	R	39.3	Very low	44.4	Very low	155 Å²	155	73.3 Å²	73.3	59%	0.585	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.7	-175.3	-68.6	-175.9	169.7	-139.3	-10.7	112.3	L35 V36 F41	L35-R39 CarbonylContact C-O 3.46Å; L35-R39 WeakPolarHBondContact CA-O 3.44Å; V36-R39 PolarHBondContact N-O 2.97Å; V36-R39 PolarHBondContact O-N 2.88Å; R39-F41 HydrophobicContact CB-CE2 3.7Å; R39-F41 HydrophobicContact CB-CZ 3.99Å; R39-F41 WeakPolarHBondContact O-CD2 3.42Å; R39-F41 WeakPolarHBondContact O-CE2 3.08Å
40	S	43	Very low	44.4	Very low	77 Å²	77	66.9 Å²	66.9	54%	0.538	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.5	175	47	0	0	0	0	111.9	I34	I34-S40 CarbonylContact O-C 3.59Å; I34-S40 WeakPolarHBondContact O-CA 3.17Å
41	F	45.3	Very low	44.6	Very low	90 Å²	90	65.6 Å²	65.6	40%	0.395	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.7	175.9	-59.1	-90.5	0	0	0	109.1	T33 I34 V36 R39 A43 A46	T33-F41 CarbonylContact C-O 3.56Å; T33-F41 WeakPolarHBondContact CA-O 3.32Å; I34-F41 PolarHBondContact N-O 3.37Å; I34-F41 PolarHBondContact O-N 3.05Å; V36-F41 HydrophobicContact CB-CE2 4.18Å; V36-F41 HydrophobicContact CG2-CD2 4.31Å; V36-F41 HydrophobicContact CG2-CE2 4.4Å; R39-F41 HydrophobicContact CB-CE2 3.7Å; R39-F41 HydrophobicContact CB-CZ 3.99Å; R39-F41 WeakPolarHBondContact O-CD2 3.42Å; R39-F41 WeakPolarHBondContact O-CE2 3.08Å; F41-A43 PolarHBondContact O-N 3.15Å; F41-A46 HydrophobicContact CB-CB 4.18Å
42	A	48.2	Very low	44.6	Very low	59 Å²	59	62 Å²	62	49%	0.488	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	130.2	167.3	0	0	0	0	0	108.9	H44 K45	A42-H44 VanDerWaalsContact C-N 3.26Å; A42-H44 PolarHBondContact O-N 3.48Å; A42-H44 VanDerWaalsContact O-N 3.07Å; A42-K45 PolarHBondContact O-N 3.26Å
43	A	45.4	Very low	44.4	Very low	17 Å²	17	62.6 Å²	62.6	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-51.3	-42.4	-164.9	0	0	0	0	0	113.8	V32 I34 F41 K45 A46 V47	V32-A43 HydrophobicContact CB-CB 3.92Å; V32-A43 HydrophobicContact CG1-CB 3.97Å; V32-A43 WeakPolarHBondContact O-CB 3.41Å; V32-A43 PolarHBondContact O-N 2.85Å; I34-A43 HydrophobicContact CD1-CB 3.73Å; I34-A43 HydrophobicContact CG1-CB 3.98Å; F41-A43 PolarHBondContact O-N 3.15Å; A43-K45 PolarHBondContact O-N 3.44Å; A43-K45 VanDerWaalsContact O-N 3.13Å; A43-A46 PolarHBondContact O-N 2.85Å; A43-A46 VanDerWaalsContact O-N 3.08Å; A43-V47 WeakPolarHBondContact O-CG2 3.32Å; A43-V47 PolarHBondContact O-N 3.34Å
44	H	46.3	Very low	44	Very low	113 Å²	113	65.2 Å²	65.2	52%	0.523	39%	0.388	S	S	.	.	H	α-helix	trans	-55.6	-29.9	178.8	-164	-50.9	0	0	0	114.1	A42 L48	A42-H44 VanDerWaalsContact C-N 3.26Å; A42-H44 PolarHBondContact O-N 3.48Å; A42-H44 VanDerWaalsContact O-N 3.07Å; H44-L48 WeakPolarHBondContact O-CG 3.42Å; H44-L48 PolarHBondContact O-N 3.29Å
45	K	41.7	Very low	43.8	Very low	156 Å²	156	67.4 Å²	67.4	68%	0.678	40%	0.397	S	S	*	.	H	α-helix	trans	-83.1	-35.1	177.1	-66.8	-169.9	176.9	-174	0	112.6	A42 A43 A49	A42-K45 PolarHBondContact O-N 3.26Å; A43-K45 PolarHBondContact O-N 3.44Å; A43-K45 VanDerWaalsContact O-N 3.13Å; K45-A49 WeakPolarHBondContact O-CB 3.18Å; K45-A49 PolarHBondContact O-N 2.97Å
46	A	42.4	Very low	43.7	Very low	13 Å²	13	72 Å²	72	11%	0.107	42%	0.418	C	S	.	.	H	α-helix	trans	-71.3	-43.5	175.9	0	0	0	0	0	111.6	I34 F41 A43 L48 A49 C50	I34-A46 HydrophobicContact CD1-CB 4.22Å; F41-A46 HydrophobicContact CB-CB 4.18Å; A43-A46 PolarHBondContact O-N 2.85Å; A43-A46 VanDerWaalsContact O-N 3.08Å; A46-L48 PolarHBondContact O-N 2.82Å; A46-A49 PolarHBondContact O-N 3.46Å; A46-C50 WeakPolarHBondContact O-CB 3.39Å; A46-C50 PolarHBondContact O-N 3.01Å; A46-C50 PolarHBondContact O-SG 3.29Å; A46-C50 VanDerWaalsContact O-SG 3.41Å
47	V	45	Very low	43.6	Very low	33 Å²	33	73.3 Å²	73.3	20%	0.2	42%	0.423	C	S	.	.	H	α-helix	trans	-60.6	-45.5	177.6	172.5	0	0	0	0	111.1	L20 A43 C50 A51	L20-V47 HydrophobicContact CD1-CG2 3.62Å; A43-V47 WeakPolarHBondContact O-CG2 3.32Å; A43-V47 PolarHBondContact O-N 3.34Å; V47-C50 PolarHBondContact O-N 3.49Å; V47-A51 VanDerWaalsContact O-CB 3.23Å; V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 3.19Å
48	L	45.5	Very low	43.1	Very low	60 Å²	60	72.5 Å²	72.5	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-64.5	-39.5	176.8	-74.3	176.2	0	0	0	113.1	H44 A46 A51 A52 I83	H44-L48 WeakPolarHBondContact O-CG 3.42Å; H44-L48 PolarHBondContact O-N 3.29Å; A46-L48 PolarHBondContact O-N 2.82Å; L48-A51 PolarHBondContact O-N 3.24Å; L48-A52 WeakPolarHBondContact O-CB 2.97Å; L48-A52 PolarHBondContact O-N 3.2Å; L48-I83 HydrophobicContact CD2-CG1 4.45Å
49	A	42	Very low	43.1	Very low	67 Å²	67	71.3 Å²	71.3	55%	0.554	39%	0.388	S	S	*	.	H	α-helix	trans	-66.5	-42.1	177.2	0	0	0	0	0	112.2	K45 A46 G53	K45-A49 WeakPolarHBondContact O-CB 3.18Å; K45-A49 PolarHBondContact O-N 2.97Å; A46-A49 PolarHBondContact O-N 3.46Å; A49-G53 PolarHBondContact O-N 3.37Å
50	C	42.2	Very low	43.3	Very low	57 Å²	57	70.2 Å²	70.2	39%	0.385	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-41.2	173.4	-70	0	0	0	0	111.9	L16 A46 V47 G53 Y54	L16-C50 HydrophobicContact CD2-CB 4.42Å; A46-C50 WeakPolarHBondContact O-CB 3.39Å; A46-C50 PolarHBondContact O-N 3.01Å; A46-C50 PolarHBondContact O-SG 3.29Å; A46-C50 VanDerWaalsContact O-SG 3.41Å; V47-C50 PolarHBondContact O-N 3.49Å; C50-G53 PolarHBondContact O-N 2.74Å; C50-Y54 VanDerWaalsContact O-CB 3.23Å; C50-Y54 WeakPolarHBondContact O-CB 3.25Å; C50-Y54 PolarHBondContact O-N 3.14Å
51	A	43.2	Very low	43.2	Very low	17 Å²	17	72.2 Å²	72.2	14%	0.14	40%	0.398	C	S	.	.	H	α-helix	trans	-62.3	-46.4	177	0	0	0	0	0	111.7	V47 L48 G53 Y54 F55	V47-A51 VanDerWaalsContact O-CB 3.23Å; V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 3.19Å; L48-A51 PolarHBondContact O-N 3.24Å; A51-G53 PolarHBondContact O-N 3.48Å; A51-Y54 PolarHBondContact O-N 2.8Å; A51-Y54 VanDerWaalsContact O-N 3.16Å; A51-F55 HydrophobicContact CB-CD2 4.26Å; A51-F55 HydrophobicContact CB-CE2 4.05Å; A51-F55 WeakPolarHBondContact O-CD2 3.26Å; A51-F55 WeakPolarHBondContact O-CG 3.35Å; A51-F55 PolarHBondContact O-N 3.3Å
52	A	43.8	Very low	43.2	Very low	59 Å²	59	71.8 Å²	71.8	49%	0.488	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-48	177.3	0	0	0	0	0	112.2	L48 Y54 Q56	L48-A52 WeakPolarHBondContact O-CB 2.97Å; L48-A52 PolarHBondContact O-N 3.2Å; A52-Y54 VanDerWaalsContact C-N 3.3Å; A52-Y54 PolarHBondContact O-N 3.36Å; A52-Q56 WeakPolarHBondContact O-CB 3.13Å; A52-Q56 PolarHBondContact O-N 3.23Å
53	G	42	Very low	43	Very low	33 Å²	33	70.9 Å²	70.9	34%	0.34	40%	0.399	S	S	.	.	H	α-helix	trans	-67.7	-26.6	176.6	0	0	0	0	0	114.2	A49 C50 A51 N57	A49-G53 PolarHBondContact O-N 3.37Å; C50-G53 PolarHBondContact O-N 2.74Å; A51-G53 PolarHBondContact O-N 3.48Å; G53-N57 PolarHBondContact O-N 3.46Å; G53-N57 PolarHBondContact O-ND2 3.31Å
54	Y	40.3	Very low	42.8	Very low	93 Å²	93	75.7 Å²	75.7	37%	0.365	42%	0.421	S	S	.	.	H	α-helix	trans	-76.2	-50	174.9	-173.9	-100.4	0	0	0	111.6	P13 C50 A51 A52 Q56 N57 L58	P13-Y54 HydrophobicContact CG-CD2 4.44Å; C50-Y54 VanDerWaalsContact O-CB 3.23Å; C50-Y54 WeakPolarHBondContact O-CB 3.25Å; C50-Y54 PolarHBondContact O-N 3.14Å; A51-Y54 PolarHBondContact O-N 2.8Å; A51-Y54 VanDerWaalsContact O-N 3.16Å; A52-Y54 VanDerWaalsContact C-N 3.3Å; A52-Y54 PolarHBondContact O-N 3.36Å; Y54-Q56 VanDerWaalsContact C-N 3.28Å; Y54-Q56 PolarHBondContact O-N 3.42Å; Y54-N57 PolarHBondContact O-N 3.39Å; Y54-N57 VanDerWaalsContact O-N 3.09Å; Y54-L58 WeakPolarHBondContact O-CB 3.22Å; Y54-L58 PolarHBondContact O-N 2.82Å
55	F	42.3	Very low	42.4	Very low	47 Å²	47	75.3 Å²	75.3	21%	0.206	42%	0.424	C	S	.	.	H	α-helix	trans	-58.1	-40.5	174.3	-72.2	-56.6	0	0	0	111.6	A51 N57 L58 F59 V71 F74	A51-F55 HydrophobicContact CB-CD2 4.26Å; A51-F55 HydrophobicContact CB-CE2 4.05Å; A51-F55 WeakPolarHBondContact O-CD2 3.26Å; A51-F55 WeakPolarHBondContact O-CG 3.35Å; A51-F55 PolarHBondContact O-N 3.3Å; F55-N57 VanDerWaalsContact C-N 3.31Å; F55-N57 PolarHBondContact O-N 3.12Å; F55-L58 PolarHBondContact O-N 3.13Å; F55-F59 WeakPolarHBondContact O-CB 3.2Å; F55-F59 WeakPolarHBondContact O-CD2 3.41Å; F55-F59 PolarHBondContact O-N 3.39Å; F55-V71 HydrophobicContact CD1-CG2 4.49Å; F55-V71 HydrophobicContact CE1-CG2 4.18Å; F55-F74 HydrophobicContact CZ-CB 4.36Å; F55-F74 HydrophobicContact CZ-CG 4.46Å
56	Q	43	Very low	42.3	Very low	131 Å²	131	70 Å²	70	61%	0.612	41%	0.409	S	S	*	.	H	α-helix	trans	-63.1	-35.1	176.7	-166.1	169.2	23.9	0	0	112.5	A52 Y54 L60	A52-Q56 WeakPolarHBondContact O-CB 3.13Å; A52-Q56 PolarHBondContact O-N 3.23Å; Y54-Q56 VanDerWaalsContact C-N 3.28Å; Y54-Q56 PolarHBondContact O-N 3.42Å; Q56-L60 WeakPolarHBondContact O-CD1 3.21Å; Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.48Å
57	N	41.6	Very low	42.3	Very low	100 Å²	100	69.5 Å²	69.5	54%	0.535	41%	0.405	S	S	.	.	H	α-helix	trans	-74.5	-36.2	171.3	-87.5	-77.1	0	0	0	113.1	G53 Y54 F55 L60 N61	G53-N57 PolarHBondContact O-N 3.46Å; G53-N57 PolarHBondContact O-ND2 3.31Å; Y54-N57 PolarHBondContact O-N 3.39Å; Y54-N57 VanDerWaalsContact O-N 3.09Å; F55-N57 VanDerWaalsContact C-N 3.31Å; F55-N57 PolarHBondContact O-N 3.12Å; N57-L60 PolarHBondContact O-N 3.5Å; N57-N61 WeakPolarHBondContact O-CB 3.5Å; N57-N61 PolarHBondContact O-N 3.32Å; N57-N61 PolarHBondContact O-ND2 2.79Å
58	L	40	Very low	42	Very low	25 Å²	25	73.4 Å²	73.4	13%	0.131	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-47.9	-179.7	-159.8	73.5	0	0	0	110.9	Y54 F55 L60 N61 T62	Y54-L58 WeakPolarHBondContact O-CB 3.22Å; Y54-L58 PolarHBondContact O-N 2.82Å; F55-L58 PolarHBondContact O-N 3.13Å; L58-L60 VanDerWaalsContact C-N 3.28Å; L58-L60 PolarHBondContact O-N 2.94Å; L58-N61 PolarHBondContact O-N 2.93Å; L58-T62 WeakPolarHBondContact CD1-OG1 3.34Å; L58-T62 PolarHBondContact O-N 2.94Å; L58-T62 PolarHBondContact O-OG1 3.46Å; L58-T62 VanDerWaalsContact O-OG1 3.07Å
59	F	41.9	Very low	41.7	Very low	95 Å²	95	75.3 Å²	75.3	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-33.8	175.7	-95.2	-86.7	0	0	0	113.5	F55 L64 A67	F55-F59 WeakPolarHBondContact O-CB 3.2Å; F55-F59 WeakPolarHBondContact O-CD2 3.41Å; F55-F59 PolarHBondContact O-N 3.39Å; F59-L64 HydrophobicContact CE1-CD2 4.04Å; F59-A67 HydrophobicContact CD2-CB 4.38Å; F59-A67 HydrophobicContact CE2-CB 4.06Å; F59-A67 HydrophobicContact CZ-CB 4.14Å
60	L	43.6	Very low	41.6	Very low	133 Å²	133	79.6 Å²	79.6	70%	0.696	43%	0.433	S	S	*	.	H	α-helix	trans	-79.8	-22.8	-179.3	-73.7	172.7	0	0	0	114	Q56 N57 L58	Q56-L60 WeakPolarHBondContact O-CD1 3.21Å; Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.48Å; N57-L60 PolarHBondContact O-N 3.5Å; L58-L60 VanDerWaalsContact C-N 3.28Å; L58-L60 PolarHBondContact O-N 2.94Å
61	N	42.5	Very low	41.5	Very low	119 Å²	119	78 Å²	78	64%	0.636	42%	0.422	S	S	*	.	H	α-helix	trans	-121.8	-26.4	-167.3	-64.8	-68.2	0	0	0	116.1	N57 L58	N57-N61 WeakPolarHBondContact O-CB 3.5Å; N57-N61 PolarHBondContact O-N 3.32Å; N57-N61 PolarHBondContact O-ND2 2.79Å; L58-N61 PolarHBondContact O-N 2.93Å
62	T	44.9	Very low	41.2	Very low	81 Å²	81	81.2 Å²	81.2	50%	0.497	44%	0.439	S	S	.	.	S	Bend	trans	-121.7	3.5	-169.9	53.8	0	0	0	0	116.3	L58	L58-T62 WeakPolarHBondContact CD1-OG1 3.34Å; L58-T62 PolarHBondContact O-N 2.94Å; L58-T62 PolarHBondContact O-OG1 3.46Å; L58-T62 VanDerWaalsContact O-OG1 3.07Å
63	G	42.5	Very low	41	Very low	40 Å²	40	85 Å²	85	41%	0.412	45%	0.451	S	S	.	.			trans	80.6	163.3	171.5	0	0	0	0	0	115.4	A66 A67	G63-A66 PolarHBondContact O-N 3.27Å; G63-A67 PolarHBondContact O-N 3.07Å
64	L	41.1	Very low	40.9	Very low	117 Å²	117	88.2 Å²	88.2	61%	0.613	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-44.9	-164.6	-89.9	155.1	0	0	0	114.6	F59 A66 A67 R68	F59-L64 HydrophobicContact CE1-CD2 4.04Å; L64-A66 VanDerWaalsContact C-N 3.3Å; L64-A66 PolarHBondContact O-N 2.8Å; L64-A67 PolarHBondContact O-N 3.29Å; L64-R68 PolarHBondContact O-N 3.21Å
65	D	39.3	Very low	41	Very low	106 Å²	106	85.9 Å²	85.9	57%	0.567	45%	0.449	S	S	*	.	H	α-helix	trans	-71.3	-23.4	-176.3	-71.7	-52.3	0	0	0	113.4	R68	D65-R68 VanDerWaalsContact O-CB 3.31Å; D65-R68 WeakPolarHBondContact O-CB 3.36Å; D65-R68 PolarHBondContact O-N 3.41Å; D65-R68 WeakPolarHBondContact OD1-CD 3.35Å; D65-R68 IonicContact OD1-CZ 2.69Å; D65-R68 IonicContact OD1-NE 3.87Å; D65-R68 IonicContact OD1-NH1 3.07Å; D65-R68 PolarHBondContact OD1-NH1 3.11Å
66	A	40.3	Very low	41	Very low	45 Å²	45	87.1 Å²	87.1	37%	0.372	46%	0.461	S	S	.	.	H	α-helix	trans	-71.8	-38	171.1	0	0	0	0	0	112.1	G63 L64 R68	G63-A66 PolarHBondContact O-N 3.27Å; L64-A66 VanDerWaalsContact C-N 3.3Å; L64-A66 PolarHBondContact O-N 2.8Å; A66-R68 VanDerWaalsContact C-N 3.3Å
67	A	41.2	Very low	40.8	Very low	2 Å²	2	85.5 Å²	85.5	2%	0.017	46%	0.462	C	S	.	.	H	α-helix	trans	-67.6	-33	172.4	0	0	0	0	0	111.9	F59 G63 L64 T69 Y70 V71	F59-A67 HydrophobicContact CD2-CB 4.38Å; F59-A67 HydrophobicContact CE2-CB 4.06Å; F59-A67 HydrophobicContact CZ-CB 4.14Å; G63-A67 PolarHBondContact O-N 3.07Å; L64-A67 PolarHBondContact O-N 3.29Å; A67-T69 PolarHBondContact O-N 3.32Å; A67-Y70 PolarHBondContact O-N 2.67Å; A67-V71 WeakPolarHBondContact O-CG2 3.46Å; A67-V71 PolarHBondContact O-N 3.03Å
68	R	38.3	Very low	40.8	Very low	114 Å²	114	84 Å²	84	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-54.9	-48.5	-175.8	-151.8	173.2	-167.5	161.4	2.5	113.4	L64 D65 A66 V72 R108 L109	L64-R68 PolarHBondContact O-N 3.21Å; D65-R68 VanDerWaalsContact O-CB 3.31Å; D65-R68 WeakPolarHBondContact O-CB 3.36Å; D65-R68 PolarHBondContact O-N 3.41Å; D65-R68 WeakPolarHBondContact OD1-CD 3.35Å; D65-R68 IonicContact OD1-CZ 2.69Å; D65-R68 IonicContact OD1-NE 3.87Å; D65-R68 IonicContact OD1-NH1 3.07Å; D65-R68 PolarHBondContact OD1-NH1 3.11Å; A66-R68 VanDerWaalsContact C-N 3.3Å; R68-V72 WeakPolarHBondContact O-CG2 3.38Å; R68-R108 PolarHBondContact NH2-O 3.02Å; R68-L109 HydrophobicContact CG-CD2 3.65Å; R68-L109 VanDerWaalsContact NE-CD2 3.34Å
69	T	39.9	Very low	40.9	Very low	100 Å²	100	86 Å²	86	61%	0.613	47%	0.474	S	S	*	.	H	α-helix	trans	-67.7	-38.6	179.9	-40.2	0	0	0	0	112.1	A67	A67-T69 PolarHBondContact O-N 3.32Å
70	Y	39.1	Very low	41.1	Very low	157 Å²	157	82.9 Å²	82.9	62%	0.616	46%	0.46	S	S	*	.	H	α-helix	trans	-79.9	-23.5	-175.8	-83.6	-77.1	0	0	0	114.8	A67	A67-Y70 PolarHBondContact O-N 2.67Å
71	V	40.4	Very low	41.1	Very low	25 Å²	25	83.9 Å²	83.9	15%	0.152	46%	0.461	C	S	.	.	H	α-helix	trans	-75.8	-38.5	178.1	168.4	0	0	0	0	111.6	F55 A67 D73 F74 I75	F55-V71 HydrophobicContact CD1-CG2 4.49Å; F55-V71 HydrophobicContact CE1-CG2 4.18Å; A67-V71 WeakPolarHBondContact O-CG2 3.46Å; A67-V71 PolarHBondContact O-N 3.03Å; V71-D73 PolarHBondContact O-N 3.27Å; V71-F74 PolarHBondContact O-N 3.23Å; V71-I75 HydrophobicContact CG1-CD1 3.91Å; V71-I75 HydrophobicContact CG1-CG1 4.34Å; V71-I75 PolarHBondContact O-N 3.21Å; V71-I75 VanDerWaalsContact O-N 3.12Å
72	V	38.2	Very low	41.1	Very low	83 Å²	83	83.6 Å²	83.6	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-63.7	-42.1	-176.5	173.6	0	0	0	0	112.2	R68 F74	R68-V72 WeakPolarHBondContact O-CG2 3.38Å; V72-F74 VanDerWaalsContact C-N 3.29Å; V72-F74 PolarHBondContact O-N 3.44Å
73	D	38	Very low	41.2	Very low	139 Å²	139	82.3 Å²	82.3	74%	0.743	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.2	178.6	-78.4	-16.7	0	0	0	113.8	V71	V71-D73 PolarHBondContact O-N 3.27Å
74	F	40.6	Very low	41.1	Very low	100 Å²	100	83 Å²	83	44%	0.439	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-26.5	-172.7	-132.4	-89.1	0	0	0	114.2	F55 V71 V72	F55-F74 HydrophobicContact CZ-CB 4.36Å; F55-F74 HydrophobicContact CZ-CG 4.46Å; V71-F74 PolarHBondContact O-N 3.23Å; V72-F74 VanDerWaalsContact C-N 3.29Å; V72-F74 PolarHBondContact O-N 3.44Å
75	I	42.4	Very low	41.1	Very low	44 Å²	44	81 Å²	81	23%	0.226	43%	0.434	C	S	.	.			trans	-107.1	78.3	-177.6	-50.6	-172.3	0	0	0	110.7	V71 F80	V71-I75 HydrophobicContact CG1-CD1 3.91Å; V71-I75 HydrophobicContact CG1-CG1 4.34Å; V71-I75 PolarHBondContact O-N 3.21Å; V71-I75 VanDerWaalsContact O-N 3.12Å; I75-F80 HydrophobicContact CG2-CB 3.95Å; I75-F80 HydrophobicContact CG2-CD2 3.8Å; I75-F80 HydrophobicContact CG2-CG 4.28Å
76	T	43.2	Very low	41.1	Very low	73 Å²	73	81.8 Å²	81.8	45%	0.448	43%	0.432	S	S	.	.			trans	-71	148.3	161.9	56.5	0	0	0	0	110.4	A78 N79 F80	T76-A78 VanDerWaalsContact C-N 3.26Å; T76-A78 PolarHBondContact O-N 3.13Å; T76-A78 VanDerWaalsContact O-N 3.14Å; T76-N79 PolarHBondContact O-N 3.04Å; T76-F80 PolarHBondContact O-N 3.3Å
77	P	38.7	Very low	41.2	Very low	98 Å²	98	82.6 Å²	82.6	64%	0.636	43%	0.433	S	S	*	.	H	α-helix	trans	-53.8	-39.1	-175.9	-29.5	35.8	0	0	0	114.2	N79 F80	P77-N79 PolarHBondContact O-N 3.07Å; P77-F80 PolarHBondContact O-N 2.82Å
78	A	41.1	Very low	41.1	Very low	68 Å²	68	92.2 Å²	92.2	56%	0.562	47%	0.47	S	S	*	.	H	α-helix	trans	-68.8	-10.1	178.6	0	0	0	0	0	115.1	T76 K82	T76-A78 VanDerWaalsContact C-N 3.26Å; T76-A78 PolarHBondContact O-N 3.13Å; T76-A78 VanDerWaalsContact O-N 3.14Å; A78-K82 WeakPolarHBondContact O-CE 3.45Å; A78-K82 PolarHBondContact O-NZ 3.38Å
79	N	41.7	Very low	41	Very low	67 Å²	67	91.7 Å²	91.7	36%	0.358	48%	0.48	S	S	.	.	H	α-helix	trans	-98.8	-24.8	169	-76.2	-17.1	0	0	0	112.1	T76 P77 K82 I83	T76-N79 PolarHBondContact O-N 3.04Å; P77-N79 PolarHBondContact O-N 3.07Å; N79-K82 PolarHBondContact O-N 3.46Å; N79-I83 PolarHBondContact O-N 3.22Å
80	F	46.6	Very low	40.9	Very low	30 Å²	30	88.3 Å²	88.3	13%	0.132	46%	0.46	C	S	.	.	H	α-helix	trans	-67.3	-42	-179	-169.3	-105.9	0	0	0	113	I75 T76 P77 K82 I83 L84 I102 L114	I75-F80 HydrophobicContact CG2-CB 3.95Å; I75-F80 HydrophobicContact CG2-CD2 3.8Å; I75-F80 HydrophobicContact CG2-CG 4.28Å; T76-F80 PolarHBondContact O-N 3.3Å; P77-F80 PolarHBondContact O-N 2.82Å; F80-K82 PolarHBondContact O-N 3.04Å; F80-I83 CarbonylContact O-C 3.55Å; F80-I83 WeakPolarHBondContact O-CA 3.42Å; F80-I83 WeakPolarHBondContact O-CB 3.37Å; F80-I83 PolarHBondContact O-N 3.24Å; F80-L84 HydrophobicContact CD1-CD1 3.95Å; F80-L84 HydrophobicContact CD1-CG 4.39Å; F80-L84 HydrophobicContact CE1-CD1 3.41Å; F80-L84 VanDerWaalsContact CE1-CD1 3.41Å; F80-L84 HydrophobicContact CE1-CG 3.78Å; F80-L84 HydrophobicContact CZ-CD1 4.22Å; F80-L84 HydrophobicContact CZ-CG 4.13Å; F80-L84 PolarHBondContact O-N 3.39Å; F80-I102 HydrophobicContact CZ-CG2 4.5Å; F80-L114 HydrophobicContact CD1-CD1 3.47Å; F80-L114 VanDerWaalsContact CD1-CD1 3.47Å; F80-L114 HydrophobicContact CD2-CD1 4.32Å; F80-L114 HydrophobicContact CE1-CD1 3.18Å; F80-L114 HydrophobicContact CE2-CD1 4.11Å; F80-L114 HydrophobicContact CG-CD1 4.04Å; F80-L114 HydrophobicContact CZ-CD1 3.55Å
81	E	43.4	Very low	40.9	Very low	153 Å²	153	89.8 Å²	89.8	72%	0.715	47%	0.472	S	S	*	.	H	α-helix	trans	-56.3	-37.2	174.4	-76.6	-160.4	137.7	0	0	112.8	I83 L84 S85	E81-I83 VanDerWaalsContact C-N 3.34Å; E81-L84 PolarHBondContact O-N 3.45Å; E81-S85 VanDerWaalsContact O-CB 3.29Å; E81-S85 WeakPolarHBondContact O-CB 3.18Å; E81-S85 PolarHBondContact O-N 3.39Å
82	K	43.1	Very low	40.8	Very low	113 Å²	113	95.5 Å²	95.5	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-70.1	-33.2	178.4	-61.6	171	-172.7	132.2	0	111.7	A78 N79 F80 F86	A78-K82 WeakPolarHBondContact O-CE 3.45Å; A78-K82 PolarHBondContact O-NZ 3.38Å; N79-K82 PolarHBondContact O-N 3.46Å; F80-K82 PolarHBondContact O-N 3.04Å; K82-F86 WeakPolarHBondContact O-CB 3.15Å; K82-F86 PolarHBondContact O-N 2.86Å; K82-F86 VanDerWaalsContact O-N 3.12Å
83	I	45.4	Very low	40.9	Very low	55 Å²	55	97.6 Å²	97.6	28%	0.282	50%	0.504	S	S	.	.	H	α-helix	trans	-70.8	-45.4	172.4	-67.6	160.2	0	0	0	110	L48 N79 F80 E81 S85 F86 V87	L48-I83 HydrophobicContact CD2-CG1 4.45Å; N79-I83 PolarHBondContact O-N 3.22Å; F80-I83 CarbonylContact O-C 3.55Å; F80-I83 WeakPolarHBondContact O-CA 3.42Å; F80-I83 WeakPolarHBondContact O-CB 3.37Å; F80-I83 PolarHBondContact O-N 3.24Å; E81-I83 VanDerWaalsContact C-N 3.34Å; I83-S85 PolarHBondContact O-N 3.02Å; I83-F86 CarbonylContact O-C 3.12Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 3.08Å; I83-F86 VanDerWaalsContact O-N 3.13Å; I83-V87 HydrophobicContact CG2-CG2 4.49Å; I83-V87 WeakPolarHBondContact O-CG2 3.26Å; I83-V87 PolarHBondContact O-N 3.26Å
84	L	41.9	Very low	40.9	Very low	55 Å²	55	96.6 Å²	96.6	29%	0.288	50%	0.503	S	S	.	.	H	α-helix	trans	-59	-46.2	175.7	-109.5	175.2	0	0	0	112.1	F80 E81 F86 V87 Y88	F80-L84 HydrophobicContact CD1-CD1 3.95Å; F80-L84 HydrophobicContact CD1-CG 4.39Å; F80-L84 HydrophobicContact CE1-CD1 3.41Å; F80-L84 VanDerWaalsContact CE1-CD1 3.41Å; F80-L84 HydrophobicContact CE1-CG 3.78Å; F80-L84 HydrophobicContact CZ-CD1 4.22Å; F80-L84 HydrophobicContact CZ-CG 4.13Å; F80-L84 PolarHBondContact O-N 3.39Å; E81-L84 PolarHBondContact O-N 3.45Å; L84-F86 VanDerWaalsContact C-N 3.28Å; L84-F86 PolarHBondContact O-N 2.93Å; L84-V87 PolarHBondContact O-N 2.95Å; L84-Y88 WeakPolarHBondContact O-CB 3.45Å; L84-Y88 PolarHBondContact O-N 3.25Å
85	S	41.1	Very low	40.8	Very low	74 Å²	74	96.7 Å²	96.7	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-35.2	175.2	-175.4	0	0	0	0	112.2	E81 I83 T89	E81-S85 VanDerWaalsContact O-CB 3.29Å; E81-S85 WeakPolarHBondContact O-CB 3.18Å; E81-S85 PolarHBondContact O-N 3.39Å; I83-S85 PolarHBondContact O-N 3.02Å; S85-T89 WeakPolarHBondContact O-CB 3.45Å; S85-T89 WeakPolarHBondContact O-CG2 3.5Å; S85-T89 PolarHBondContact O-N 3Å; S85-T89 VanDerWaalsContact O-N 3.13Å; S85-T89 PolarHBondContact O-OG1 3.09Å
86	F	39.3	Very low	40.4	Very low	123 Å²	123	100.9 Å²	100.9	54%	0.539	53%	0.53	S	S	.	.	H	α-helix	trans	-71.9	-37.8	174.1	-171.5	-100.4	0	0	0	112.9	K82 I83 L84 T89 S90	K82-F86 WeakPolarHBondContact O-CB 3.15Å; K82-F86 PolarHBondContact O-N 2.86Å; K82-F86 VanDerWaalsContact O-N 3.12Å; I83-F86 CarbonylContact O-C 3.12Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 3.08Å; I83-F86 VanDerWaalsContact O-N 3.13Å; L84-F86 VanDerWaalsContact C-N 3.28Å; L84-F86 PolarHBondContact O-N 2.93Å; F86-T89 WeakPolarHBondContact CA-OG1 3.23Å; F86-T89 CarbonylContact O-C 3.55Å; F86-T89 PolarHBondContact O-N 3.23Å; F86-T89 PolarHBondContact O-OG1 2.74Å; F86-S90 WeakPolarHBondContact O-CB 3.41Å; F86-S90 PolarHBondContact O-N 3.28Å; F86-S90 VanDerWaalsContact O-N 3.13Å; F86-S90 PolarHBondContact O-OG 3.05Å
87	V	40.9	Very low	40	Very low	62 Å²	62	103.5 Å²	103.5	38%	0.376	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-44.7	172	170.2	0	0	0	0	110.4	I83 L84 T89 S90 F93	I83-V87 HydrophobicContact CG2-CG2 4.49Å; I83-V87 WeakPolarHBondContact O-CG2 3.26Å; I83-V87 PolarHBondContact O-N 3.26Å; L84-V87 PolarHBondContact O-N 2.95Å; V87-T89 PolarHBondContact O-N 3.22Å; V87-S90 PolarHBondContact O-N 2.82Å; V87-F93 HydrophobicContact CG1-CB 4.46Å
88	Y	39.6	Very low	40.2	Very low	203 Å²	203	102 Å²	102	80%	0.796	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-21.8	177.7	-158.7	-86.7	0	0	0	113.4	L84	L84-Y88 WeakPolarHBondContact O-CB 3.45Å; L84-Y88 PolarHBondContact O-N 3.25Å
89	T	37	Very low	40.6	Very low	104 Å²	104	101 Å²	101	64%	0.638	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	8.1	179	52.7	0	0	0	0	114.2	S85 F86 V87	S85-T89 WeakPolarHBondContact O-CB 3.45Å; S85-T89 WeakPolarHBondContact O-CG2 3.5Å; S85-T89 PolarHBondContact O-N 3Å; S85-T89 VanDerWaalsContact O-N 3.13Å; S85-T89 PolarHBondContact O-OG1 3.09Å; F86-T89 WeakPolarHBondContact CA-OG1 3.23Å; F86-T89 CarbonylContact O-C 3.55Å; F86-T89 PolarHBondContact O-N 3.23Å; F86-T89 PolarHBondContact O-OG1 2.74Å; V87-T89 PolarHBondContact O-N 3.22Å
90	S	37.7	Very low	40.8	Very low	28 Å²	28	99.3 Å²	99.3	20%	0.196	51%	0.512	C	S	.	.			trans	-127.8	118.6	174.6	55.1	0	0	0	0	112	F86 V87 L92	F86-S90 WeakPolarHBondContact O-CB 3.41Å; F86-S90 PolarHBondContact O-N 3.28Å; F86-S90 VanDerWaalsContact O-N 3.13Å; F86-S90 PolarHBondContact O-OG 3.05Å; V87-S90 PolarHBondContact O-N 2.82Å; S90-L92 PolarHBondContact O-N 2.84Å
91	E	38.4	Very low	40.8	Very low	188 Å²	188	101.1 Å²	101.1	88%	0.879	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	24.6	-175.7	-55	-178.8	130.2	0	0	114.5
92	L	38.8	Very low	41.2	Very low	146 Å²	146	97.8 Å²	97.8	76%	0.764	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-6.6	-170.5	-83.8	162.1	0	0	0	114.6	S90	S90-L92 PolarHBondContact O-N 2.84Å
93	F	41	Very low	41.6	Very low	126 Å²	126	94 Å²	94	55%	0.553	49%	0.494	S	S	*	.			trans	-132.1	68.1	-178.5	-75.9	-83.1	0	0	0	112	V87	V87-F93 HydrophobicContact CG1-CB 4.46Å
94	T	37	Very low	41.7	Very low	119 Å²	119	95.2 Å²	95.2	73%	0.73	50%	0.499	S	S	*	.			trans	-93.7	3.3	-176.9	40.9	0	0	0	0	115.2
95	D	38.4	Very low	42	Very low	101 Å²	101	94.7 Å²	94.7	54%	0.54	50%	0.498	S	S	.	.			trans	-96	116.9	177.3	-69	-48.6	0	0	0	112.3	I97 N98	D95-I97 PolarHBondContact O-N 3.17Å; D95-N98 PolarHBondContact O-N 3.37Å; D95-N98 VanDerWaalsContact O-N 3.08Å; D95-N98 PolarHBondContact O-ND2 3.43Å
96	L	33.7	Very low	42.7	Very low	133 Å²	133	91.2 Å²	91.2	70%	0.696	47%	0.474	S	S	*	.	H	α-helix	trans	-54.7	-24	174.8	-86.9	75.3	0	0	0	113.3	N98 V99 G100	L96-N98 PolarHBondContact O-N 3.02Å; L96-V99 PolarHBondContact O-N 3.13Å; L96-G100 PolarHBondContact O-N 3.02Å
97	I	34.3	Very low	43.2	Very low	128 Å²	128	91.2 Å²	91.2	66%	0.656	48%	0.475	S	S	*	.	H	α-helix	trans	-52.4	-40.7	176.2	-60.3	171.7	0	0	0	110.7	D95 G100 V101	D95-I97 PolarHBondContact O-N 3.17Å; I97-G100 PolarHBondContact O-N 3.21Å; I97-V101 WeakPolarHBondContact O-CG2 3.31Å; I97-V101 PolarHBondContact O-N 3Å
98	N	44	Very low	43.5	Very low	67 Å²	67	95.5 Å²	95.5	36%	0.358	49%	0.485	S	S	.	.	H	α-helix	trans	-72.7	-32.6	-179.9	-60.9	-61.7	0	0	0	112.5	D95 L96 V101 I102	D95-N98 PolarHBondContact O-N 3.37Å; D95-N98 VanDerWaalsContact O-N 3.08Å; D95-N98 PolarHBondContact O-ND2 3.43Å; L96-N98 PolarHBondContact O-N 3.02Å; N98-V101 PolarHBondContact O-N 3.2Å; N98-I102 WeakPolarHBondContact O-CD1 3.31Å; N98-I102 VanDerWaalsContact O-CG1 3.3Å; N98-I102 WeakPolarHBondContact O-CG1 3.37Å; N98-I102 PolarHBondContact O-N 3.17Å; N98-I102 VanDerWaalsContact O-N 3.08Å
99	V	50.1	Low	43.8	Very low	45 Å²	45	88.2 Å²	88.2	27%	0.273	46%	0.459	S	S	.	.	H	α-helix	trans	-69.1	-41.6	174.6	-176.7	0	0	0	0	110.3	L96 V101 I102 Y103 F122 L125	L96-V99 PolarHBondContact O-N 3.13Å; V99-V101 PolarHBondContact O-N 3.46Å; V99-I102 PolarHBondContact O-N 3.44Å; V99-Y103 WeakPolarHBondContact O-CB 3.5Å; V99-Y103 PolarHBondContact O-N 3.03Å; V99-F122 HydrophobicContact CG1-CD2 4.45Å; V99-F122 HydrophobicContact CG1-CE2 4.4Å; V99-L125 HydrophobicContact CG1-CD1 4.27Å
100	G	44.9	Very low	44.2	Very low	32 Å²	32	85.9 Å²	85.9	33%	0.33	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-43	173.4	0	0	0	0	0	112.8	L96 I97 Y103 E104	L96-G100 PolarHBondContact O-N 3.02Å; I97-G100 PolarHBondContact O-N 3.21Å; G100-Y103 WeakPolarHBondContact O-CB 3.25Å; G100-Y103 PolarHBondContact O-N 3.16Å; G100-E104 WeakPolarHBondContact O-CB 3.41Å; G100-E104 PolarHBondContact O-N 2.83Å
101	V	47.3	Very low	44.7	Very low	69 Å²	69	87.3 Å²	87.3	42%	0.418	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-40.6	175.4	170.1	0	0	0	0	112.1	I97 N98 V99 Y103 V105	I97-V101 WeakPolarHBondContact O-CG2 3.31Å; I97-V101 PolarHBondContact O-N 3Å; N98-V101 PolarHBondContact O-N 3.2Å; V99-V101 PolarHBondContact O-N 3.46Å; V101-Y103 VanDerWaalsContact C-N 3.31Å; V101-Y103 PolarHBondContact O-N 2.87Å; V101-V105 WeakPolarHBondContact O-CB 3.49Å; V101-V105 VanDerWaalsContact O-CG2 3.25Å; V101-V105 WeakPolarHBondContact O-CG2 3.31Å; V101-V105 PolarHBondContact O-N 2.84Å
102	I	52	Low	45.3	Very low	82 Å²	82	85.6 Å²	85.6	42%	0.421	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-41.5	175.1	-70.2	163.7	0	0	0	110.8	F80 N98 V99 V105 A106	F80-I102 HydrophobicContact CZ-CG2 4.5Å; N98-I102 WeakPolarHBondContact O-CD1 3.31Å; N98-I102 VanDerWaalsContact O-CG1 3.3Å; N98-I102 WeakPolarHBondContact O-CG1 3.37Å; N98-I102 PolarHBondContact O-N 3.17Å; N98-I102 VanDerWaalsContact O-N 3.08Å; V99-I102 PolarHBondContact O-N 3.44Å; I102-V105 PolarHBondContact O-N 3.23Å; I102-A106 WeakPolarHBondContact O-CB 3.44Å; I102-A106 PolarHBondContact O-N 3.19Å
103	Y	51.6	Low	45.7	Very low	34 Å²	34	84.1 Å²	84.1	13%	0.133	45%	0.445	C	S	.	.	H	α-helix	trans	-66.1	-48.7	178.6	-164.4	-80.3	0	0	0	111.9	V99 G100 V101 V105 A106 E107 C118 H119	V99-Y103 WeakPolarHBondContact O-CB 3.5Å; V99-Y103 PolarHBondContact O-N 3.03Å; G100-Y103 WeakPolarHBondContact O-CB 3.25Å; G100-Y103 PolarHBondContact O-N 3.16Å; V101-Y103 VanDerWaalsContact C-N 3.31Å; V101-Y103 PolarHBondContact O-N 2.87Å; Y103-V105 VanDerWaalsContact C-N 3.27Å; Y103-V105 PolarHBondContact O-N 3.4Å; Y103-A106 PolarHBondContact O-N 2.96Å; Y103-A106 VanDerWaalsContact O-N 3.16Å; Y103-E107 WeakPolarHBondContact O-CB 3.43Å; Y103-E107 PolarHBondContact O-N 3.31Å; Y103-C118 HydrophobicContact CD2-CB 3.9Å; Y103-C118 HydrophobicContact CE2-CB 4.15Å; Y103-H119 PolarHBondContact OH-CE1 2.9Å; Y103-H119 PolarHBondContact OH-ND1 3.48Å
104	E	46.9	Very low	46.1	Very low	80 Å²	80	79.5 Å²	79.5	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-32	177	-171.9	-176.3	173.3	0	0	112.4	G100 R108	G100-E104 WeakPolarHBondContact O-CB 3.41Å; G100-E104 PolarHBondContact O-N 2.83Å; E104-R108 WeakPolarHBondContact O-CB 3.49Å; E104-R108 VanDerWaalsContact O-CG 3.32Å; E104-R108 WeakPolarHBondContact O-CG 3.44Å; E104-R108 PolarHBondContact O-N 3.4Å; E104-R108 IonicContact OE1-CZ 3.16Å; E104-R108 IonicContact OE1-NH1 3.11Å; E104-R108 PolarHBondContact OE1-NH1 3.04Å; E104-R108 IonicContact OE1-NH2 3.28Å; E104-R108 PolarHBondContact OE1-NH2 2.77Å
105	V	48.7	Very low	46.9	Very low	44 Å²	44	75.5 Å²	75.5	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-73.1	-45.1	172.1	167.8	0	0	0	0	111.5	V101 I102 Y103 E107 R108 L109	V101-V105 WeakPolarHBondContact O-CB 3.49Å; V101-V105 VanDerWaalsContact O-CG2 3.25Å; V101-V105 WeakPolarHBondContact O-CG2 3.31Å; V101-V105 PolarHBondContact O-N 2.84Å; I102-V105 PolarHBondContact O-N 3.23Å; Y103-V105 VanDerWaalsContact C-N 3.27Å; Y103-V105 PolarHBondContact O-N 3.4Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-E107 PolarHBondContact O-N 3.19Å; V105-R108 PolarHBondContact O-N 3.45Å; V105-L109 HydrophobicContact CG1-CD1 3.75Å; V105-L109 HydrophobicContact CG1-CG 4.44Å; V105-L109 WeakPolarHBondContact O-CB 3.48Å; V105-L109 VanDerWaalsContact O-CG 3.25Å; V105-L109 WeakPolarHBondContact O-CG 3.34Å; V105-L109 PolarHBondContact O-N 2.68Å; V105-L109 VanDerWaalsContact O-N 3.12Å
106	A	54.3	Low	47.6	Very low	1 Å²	1	77.1 Å²	77.1	1%	0.008	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-39.1	179	0	0	0	0	0	112.4	I102 Y103 L109 G110 M111 L114 L115	I102-A106 WeakPolarHBondContact O-CB 3.44Å; I102-A106 PolarHBondContact O-N 3.19Å; Y103-A106 PolarHBondContact O-N 2.96Å; Y103-A106 VanDerWaalsContact O-N 3.16Å; A106-L109 PolarHBondContact O-N 2.63Å; A106-G110 PolarHBondContact O-N 3.12Å; A106-M111 PolarHBondContact O-N 3.37Å; A106-M111 VanDerWaalsContact O-N 3.12Å; A106-L114 HydrophobicContact CB-CB 4.48Å; A106-L114 HydrophobicContact CB-CD2 3.6Å; A106-L114 HydrophobicContact CB-CG 3.82Å; A106-L115 HydrophobicContact CB-CD1 3.49Å; A106-L115 VanDerWaalsContact CB-CD1 3.49Å
107	E	50.9	Low	48.4	Very low	124 Å²	124	72.4 Å²	72.4	58%	0.579	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-48.6	173.9	-171.7	-177.5	-169.9	0	0	111.2	Y103 V105 L109 G110 L115	Y103-E107 WeakPolarHBondContact O-CB 3.43Å; Y103-E107 PolarHBondContact O-N 3.31Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-E107 PolarHBondContact O-N 3.19Å; E107-L109 PolarHBondContact O-N 3.46Å; E107-L109 VanDerWaalsContact O-N 3.13Å; E107-G110 PolarHBondContact O-N 3.4Å; E107-L115 HydrophobicContact CB-CD1 4.29Å
108	R	47.1	Very low	49.2	Very low	152 Å²	152	66.9 Å²	66.9	57%	0.574	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.9	177.5	-74.9	-175.5	-178.1	131.3	15.7	115.6	R68 E104 V105	R68-R108 PolarHBondContact NH2-O 3.02Å; E104-R108 WeakPolarHBondContact O-CB 3.49Å; E104-R108 VanDerWaalsContact O-CG 3.32Å; E104-R108 WeakPolarHBondContact O-CG 3.44Å; E104-R108 PolarHBondContact O-N 3.4Å; E104-R108 IonicContact OE1-CZ 3.16Å; E104-R108 IonicContact OE1-NH1 3.11Å; E104-R108 PolarHBondContact OE1-NH1 3.04Å; E104-R108 IonicContact OE1-NH2 3.28Å; E104-R108 PolarHBondContact OE1-NH2 2.77Å; V105-R108 PolarHBondContact O-N 3.45Å
109	L	45.1	Very low	49.8	Very low	50 Å²	50	66.3 Å²	66.3	26%	0.262	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-0.9	175.7	-64.8	178.7	0	0	0	113.2	R68 V105 A106 E107 M111	R68-L109 HydrophobicContact CG-CD2 3.65Å; R68-L109 VanDerWaalsContact NE-CD2 3.34Å; V105-L109 HydrophobicContact CG1-CD1 3.75Å; V105-L109 HydrophobicContact CG1-CG 4.44Å; V105-L109 WeakPolarHBondContact O-CB 3.48Å; V105-L109 VanDerWaalsContact O-CG 3.25Å; V105-L109 WeakPolarHBondContact O-CG 3.34Å; V105-L109 PolarHBondContact O-N 2.68Å; V105-L109 VanDerWaalsContact O-N 3.12Å; A106-L109 PolarHBondContact O-N 2.63Å; E107-L109 PolarHBondContact O-N 3.46Å; E107-L109 VanDerWaalsContact O-N 3.13Å; L109-M111 VanDerWaalsContact C-N 3.26Å; L109-M111 HydrophobicContact CB-CG 3.86Å; L109-M111 HydrophobicContact CB-SD 4.12Å; L109-M111 HydrophobicContact CD1-SD 4.22Å; L109-M111 PolarHBondContact O-N 2.81Å
110	G	46.3	Very low	49.8	Very low	55 Å²	55	68.7 Å²	68.7	57%	0.567	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	29.5	-179.8	0	0	0	0	0	113.4	A106 E107 E112	A106-G110 PolarHBondContact O-N 3.12Å; E107-G110 PolarHBondContact O-N 3.4Å; G110-E112 VanDerWaalsContact C-N 3.34Å; G110-E112 PolarHBondContact O-N 2.9Å
111	M	48.6	Very low	49.8	Very low	57 Å²	57	70.5 Å²	70.5	28%	0.281	37%	0.374	S	S	.	.			trans	-85.5	75.7	-176.6	-63.7	-175.6	73.3	0	0	110.5	A106 L109 D113 L114 L115	A106-M111 PolarHBondContact O-N 3.37Å; A106-M111 VanDerWaalsContact O-N 3.12Å; L109-M111 VanDerWaalsContact C-N 3.26Å; L109-M111 HydrophobicContact CB-CG 3.86Å; L109-M111 HydrophobicContact CB-SD 4.12Å; L109-M111 HydrophobicContact CD1-SD 4.22Å; L109-M111 PolarHBondContact O-N 2.81Å; M111-D113 PolarHBondContact O-N 3.11Å; M111-L114 HydrophobicContact CB-CB 3.8Å; M111-L114 HydrophobicContact CB-CD2 4.08Å; M111-L114 HydrophobicContact CE-CD2 3.98Å; M111-L114 WeakPolarHBondContact O-CB 3.42Å; M111-L114 PolarHBondContact O-N 3.23Å; M111-L114 HydrophobicContact SD-CD2 3.92Å; M111-L115 PolarHBondContact O-N 3.14Å
112	E	51.3	Low	49.7	Very low	152 Å²	152	71.5 Å²	71.5	71%	0.71	37%	0.373	S	S	*	.	H	α-helix	trans	-57.3	-41.8	-169.9	-62.9	179.4	-179.2	0	0	114.3	G110 L114 L115 K116	G110-E112 VanDerWaalsContact C-N 3.34Å; G110-E112 PolarHBondContact O-N 2.9Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L115 PolarHBondContact O-N 3.49Å; E112-K116 PolarHBondContact O-N 3.15Å
113	D	46.5	Very low	49.6	Very low	116 Å²	116	72 Å²	72	62%	0.62	38%	0.381	S	S	*	.	H	α-helix	trans	-69.1	-31.7	177.1	-69.3	-38.8	0	0	0	112.6	M111 K116 A117	M111-D113 PolarHBondContact O-N 3.11Å; D113-K116 PolarHBondContact O-N 2.84Å; D113-A117 PolarHBondContact O-N 3.09Å
114	L	48.3	Very low	49.2	Very low	28 Å²	28	76.7 Å²	76.7	15%	0.147	41%	0.409	C	S	.	.	H	α-helix	trans	-70.3	-42.7	175.9	177.9	58.5	0	0	0	110.5	F80 A106 M111 E112 A117 C118	F80-L114 HydrophobicContact CD1-CD1 3.47Å; F80-L114 VanDerWaalsContact CD1-CD1 3.47Å; F80-L114 HydrophobicContact CD2-CD1 4.32Å; F80-L114 HydrophobicContact CE1-CD1 3.18Å; F80-L114 HydrophobicContact CE2-CD1 4.11Å; F80-L114 HydrophobicContact CG-CD1 4.04Å; F80-L114 HydrophobicContact CZ-CD1 3.55Å; A106-L114 HydrophobicContact CB-CB 4.48Å; A106-L114 HydrophobicContact CB-CD2 3.6Å; A106-L114 HydrophobicContact CB-CG 3.82Å; M111-L114 HydrophobicContact CB-CB 3.8Å; M111-L114 HydrophobicContact CB-CD2 4.08Å; M111-L114 HydrophobicContact CE-CD2 3.98Å; M111-L114 WeakPolarHBondContact O-CB 3.42Å; M111-L114 PolarHBondContact O-N 3.23Å; M111-L114 HydrophobicContact SD-CD2 3.92Å; E112-L114 VanDerWaalsContact C-N 3.33Å; L114-A117 PolarHBondContact O-N 2.89Å; L114-C118 PolarHBondContact O-N 3.49Å; L114-C118 VanDerWaalsContact O-N 3.11Å; L114-C118 PolarHBondContact O-SG 3.28Å
115	L	54.2	Low	49.4	Very low	36 Å²	36	75.6 Å²	75.6	19%	0.188	41%	0.405	C	S	.	.	H	α-helix	trans	-56.9	-51.4	169.8	-114.7	69.5	0	0	0	110.7	A106 E107 M111 E112 A117 C118 H119	A106-L115 HydrophobicContact CB-CD1 3.49Å; A106-L115 VanDerWaalsContact CB-CD1 3.49Å; E107-L115 HydrophobicContact CB-CD1 4.29Å; M111-L115 PolarHBondContact O-N 3.14Å; E112-L115 PolarHBondContact O-N 3.49Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.24Å; L115-C118 CarbonylContact O-C 3.54Å; L115-C118 WeakPolarHBondContact O-CA 3.35Å; L115-C118 WeakPolarHBondContact O-CB 3.12Å; L115-C118 PolarHBondContact O-N 3.13Å; L115-H119 VanDerWaalsContact C-CD2 3.41Å; L115-H119 PolarHBondContact O-CD2 2.79Å; L115-H119 PolarHBondContact O-N 3.11Å
116	K	54	Low	49.2	Very low	134 Å²	134	78.5 Å²	78.5	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-52.6	-46	178.4	-92.8	173.9	-178	155.9	0	113	E112 D113 C118 H119 S120	E112-K116 PolarHBondContact O-N 3.15Å; D113-K116 PolarHBondContact O-N 2.84Å; K116-C118 VanDerWaalsContact C-N 3.31Å; K116-C118 PolarHBondContact O-N 3.09Å; K116-H119 PolarHBondContact O-N 2.78Å; K116-S120 WeakPolarHBondContact O-CB 3.4Å; K116-S120 PolarHBondContact O-N 3.07Å; K116-S120 PolarHBondContact O-OG 3.35Å
117	A	51.2	Low	48.4	Very low	34 Å²	34	83.4 Å²	83.4	28%	0.281	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-35.5	177.6	0	0	0	0	0	112.5	D113 L114 L115 S120 T121	D113-A117 PolarHBondContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 2.89Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.24Å; A117-S120 PolarHBondContact O-OG 2.86Å; A117-S120 VanDerWaalsContact O-OG 3.1Å; A117-T121 WeakPolarHBondContact O-CB 3.44Å; A117-T121 PolarHBondContact O-N 3.07Å; A117-T121 PolarHBondContact O-OG1 3.02Å
118	C	50.8	Low	47.8	Very low	13 Å²	13	82.6 Å²	82.6	9%	0.088	46%	0.458	C	S	.	.	H	α-helix	trans	-68.2	-48.4	171.9	-70.9	0	0	0	0	112.1	Y103 L114 L115 K116 S120 T121 F122	Y103-C118 HydrophobicContact CD2-CB 3.9Å; Y103-C118 HydrophobicContact CE2-CB 4.15Å; L114-C118 PolarHBondContact O-N 3.49Å; L114-C118 VanDerWaalsContact O-N 3.11Å; L114-C118 PolarHBondContact O-SG 3.28Å; L115-C118 CarbonylContact O-C 3.54Å; L115-C118 WeakPolarHBondContact O-CA 3.35Å; L115-C118 WeakPolarHBondContact O-CB 3.12Å; L115-C118 PolarHBondContact O-N 3.13Å; K116-C118 VanDerWaalsContact C-N 3.31Å; K116-C118 PolarHBondContact O-N 3.09Å; C118-S120 PolarHBondContact O-N 2.83Å; C118-T121 PolarHBondContact O-N 2.95Å; C118-T121 VanDerWaalsContact O-N 3.13Å; C118-F122 PolarHBondContact O-N 2.89Å
119	H	54.9	Low	47.4	Very low	55 Å²	55	79 Å²	79	26%	0.255	46%	0.46	S	S	.	.	H	α-helix	trans	-58.9	-42.6	177.7	-68.8	-82.2	0	0	0	112.3	Y103 L115 K116 T121 F122 E126	Y103-H119 PolarHBondContact OH-CE1 2.9Å; Y103-H119 PolarHBondContact OH-ND1 3.48Å; L115-H119 VanDerWaalsContact C-CD2 3.41Å; L115-H119 PolarHBondContact O-CD2 2.79Å; L115-H119 PolarHBondContact O-N 3.11Å; K116-H119 PolarHBondContact O-N 2.78Å; H119-T121 PolarHBondContact O-N 3.35Å; H119-F122 CarbonylContact O-C 3.57Å; H119-E126 IonicContact CE1-OE1 3Å; H119-E126 PolarHBondContact CE1-OE1 3.23Å; H119-E126 VanDerWaalsContact CE1-OE1 3.23Å; H119-E126 IonicContact ND1-OE1 2.67Å
120	S	50.7	Low	46.8	Very low	95 Å²	95	82.8 Å²	82.8	66%	0.664	48%	0.48	S	S	*	.	H	α-helix	trans	-68.2	-21.5	179.1	62.6	0	0	0	0	113.6	K116 A117 C118	K116-S120 WeakPolarHBondContact O-CB 3.4Å; K116-S120 PolarHBondContact O-N 3.07Å; K116-S120 PolarHBondContact O-OG 3.35Å; A117-S120 PolarHBondContact O-OG 2.86Å; A117-S120 VanDerWaalsContact O-OG 3.1Å; C118-S120 PolarHBondContact O-N 2.83Å
121	T	44.9	Very low	45.8	Very low	70 Å²	70	86.8 Å²	86.8	43%	0.429	49%	0.493	S	S	.	.	H	α-helix	trans	-96.8	-30.2	-178.9	-50	0	0	0	0	112	A117 C118 H119	A117-T121 WeakPolarHBondContact O-CB 3.44Å; A117-T121 PolarHBondContact O-N 3.07Å; A117-T121 PolarHBondContact O-OG1 3.02Å; C118-T121 PolarHBondContact O-N 2.95Å; C118-T121 VanDerWaalsContact O-N 3.13Å; H119-T121 PolarHBondContact O-N 3.35Å
122	F	46.3	Very low	44.8	Very low	90 Å²	90	93.7 Å²	93.7	40%	0.395	52%	0.522	S	S	.	.			trans	-137.9	72.7	-175.6	-59.7	-74.3	0	0	0	111.8	V99 C118 H119 D124 L125	V99-F122 HydrophobicContact CG1-CD2 4.45Å; V99-F122 HydrophobicContact CG1-CE2 4.4Å; C118-F122 PolarHBondContact O-N 2.89Å; H119-F122 CarbonylContact O-C 3.57Å; F122-D124 VanDerWaalsContact C-N 3.28Å; F122-D124 PolarHBondContact O-N 2.94Å; F122-L125 HydrophobicContact CB-CD1 3.67Å; F122-L125 HydrophobicContact CB-CG 4.17Å; F122-L125 HydrophobicContact CG-CD1 4.28Å; F122-L125 PolarHBondContact O-N 3.2Å
123	P	48.4	Very low	43.7	Very low	91 Å²	91	94.1 Å²	94.1	59%	0.591	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-65.5	-24.3	-172.8	25.6	-35.4	0	0	0	114.5	L125	P123-L125 VanDerWaalsContact C-N 3.33Å; P123-L125 PolarHBondContact O-N 3.35Å
124	D	44.7	Very low	42.9	Very low	134 Å²	134	94 Å²	94	72%	0.717	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-76.1	-14.3	-175.3	-62.7	-50.9	0	0	0	114.4	F122 E126 S127	F122-D124 VanDerWaalsContact C-N 3.28Å; F122-D124 PolarHBondContact O-N 2.94Å; D124-E126 PolarHBondContact O-N 3.23Å; D124-S127 WeakPolarHBondContact O-CB 3.1Å; D124-S127 PolarHBondContact O-N 3.27Å; D124-S127 PolarHBondContact O-OG 3.44Å
125	L	49.3	Very low	41.7	Very low	57 Å²	57	96.7 Å²	96.7	30%	0.298	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-68.3	-29.4	-168.8	-81	174	0	0	0	114.7	V99 F122 P123 S127 S128	V99-L125 HydrophobicContact CG1-CD1 4.27Å; F122-L125 HydrophobicContact CB-CD1 3.67Å; F122-L125 HydrophobicContact CB-CG 4.17Å; F122-L125 HydrophobicContact CG-CD1 4.28Å; F122-L125 PolarHBondContact O-N 3.2Å; P123-L125 VanDerWaalsContact C-N 3.33Å; P123-L125 PolarHBondContact O-N 3.35Å; L125-S127 PolarHBondContact O-N 2.79Å; L125-S128 PolarHBondContact O-N 2.73Å
126	E	46.1	Very low	40.3	Very low	105 Å²	105	103.3 Å²	103.3	49%	0.491	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-60.3	-31.1	178.6	-68.3	-169.8	119.8	0	0	112.7	H119 D124 S128 A129	H119-E126 IonicContact CE1-OE1 3Å; H119-E126 PolarHBondContact CE1-OE1 3.23Å; H119-E126 VanDerWaalsContact CE1-OE1 3.23Å; H119-E126 IonicContact ND1-OE1 2.67Å; D124-E126 PolarHBondContact O-N 3.23Å; E126-S128 PolarHBondContact O-N 3.18Å; E126-A129 PolarHBondContact O-N 3.21Å
127	S	37.6	Very low	38.8	Very low	104 Å²	104	101.2 Å²	101.2	73%	0.727	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-60.7	-18.7	-175.1	68.8	0	0	0	0	114.6	D124 L125	D124-S127 WeakPolarHBondContact O-CB 3.1Å; D124-S127 PolarHBondContact O-N 3.27Å; D124-S127 PolarHBondContact O-OG 3.44Å; L125-S127 PolarHBondContact O-N 2.79Å
128	S	37.2	Very low	37.6	Very low	107 Å²	107	108.5 Å²	108.5	75%	0.748	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-109.7	-3.6	-174.3	-62.3	0	0	0	0	114.4	L125 E126	L125-S128 PolarHBondContact O-N 2.73Å; E126-S128 PolarHBondContact O-N 3.18Å
129	A	38.3	Very low	36.5	Very low	75 Å²	75	110.8 Å²	110.8	62%	0.62	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-26.2	-172	0	0	0	0	0	114.7	E126	E126-A129 PolarHBondContact O-N 3.21Å
130	I	32.3	Very low	35.1	Very low	131 Å²	131	118.2 Å²	118.2	67%	0.672	68%	0.678	S	S	*	*			trans	-105.7	89.9	-166.3	-52.1	-178.6	0	0	0	112.5
131	T	25.4	Very low	33.9	Very low	139 Å²	139	116.8 Å²	116.8	85%	0.853	68%	0.679	S	S	*	*			trans	-145.2	41.7	157	-22.5	0	0	0	0	114.4
132	K	28.3	Very low	33.1	Very low	202 Å²	202	125.3 Å²	125.3	88%	0.878	70%	0.703	S	S	*	*			trans	-128.7	82	158.6	-77.2	-171	177.2	178.5	0	111.3
133	Q	28	Very low	32.2	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.752	72%	0.721	S	S	*	*			trans	-57.9	145.3	158.2	-86.3	-82.6	-28.3	0	0	109.7
134	P	29.5	Very low	31	Very low	113 Å²	113	125.4 Å²	125.4	73%	0.734	73%	0.729	S	S	*	*				-142.2	128.9	83.6	36.6	-20.1	0	0	0	116.5
135	S	23.4	Very low	30.6	Very low	84 Å²	84	124.7 Å²	124.7	59%	0.587	73%	0.731	S	S	*	*			trans	48.9	117.4	138.2	65	0	0	0	0	120.2
136	L	24.6	Very low	29.5	Very low	175 Å²	175	129.3 Å²	129.3	92%	0.916	76%	0.755	S	S	*	*				-164.5	179.5	105.5	-101	163.4	0	0	0	110.8
137	S	23.8	Very low	28.4	Very low	91 Å²	91	129.3 Å²	129.3	64%	0.636	77%	0.767	S	S	*	*			trans	-135.7	161.6	-156.9	59.6	0	0	0	0	115.1
138	M	26	Very low	27.8	Very low	187 Å²	187	129.2 Å²	129.2	92%	0.921	77%	0.766	S	S	*	*			trans	73.6	148.3	175.7	-51.6	-66.3	-175.3	0	0	114.7
139	G	25.9	Very low	27.2	Very low	61 Å²	61	130.4 Å²	130.4	63%	0.629	77%	0.769	S	S	*	*			cis	166.7	166.9	-6	0	0	0	0	0	112.5
140	E	26.8	Very low	26.4	Very low	210 Å²	210	132.5 Å²	132.5	98%	0.981	78%	0.779	S	S	*	*			trans	66.8	149.2	173.9	-45.9	-168.2	132	0	0	116.8
141	G	26.1	Very low	26.1	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	79%	0.785	S	S	*	*			cis	166.8	157.7	-11.2	0	0	0	0	0	113.4
142	R	26.9	Very low	26	Very low	249 Å²	249	132.6 Å²	132.6	94%	0.94	78%	0.78	S	S	*	*			trans	66.4	159.3	173.4	-60.7	175.8	173.8	-177.8	-2.2	115.6
143	S	27.3	Very low	26	Very low	111 Å²	111	129 Å²	129	78%	0.776	77%	0.766	S	S	*	*			cis	-165.5	149.9	-20.4	44.9	0	0	0	0	109.5
144	G	23.3	Very low	25.8	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	76%	0.764	S	S	*	*			trans	-85.1	-159.8	168.7	0	0	0	0	0	113.4
145	P	37.4	Very low	25.6	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	77%	0.766	S	S	*	*			cis	-137.7	-143.6	3.1	44.2	-24.5	0	0	0	113.5
146	L	24.8	Very low	25.6	Very low	154 Å²	154	132.4 Å²	132.4	81%	0.806	77%	0.771	S	S	*	*			trans	100.7	117.8	178.1	-57.5	171.1	0	0	0	113.5
147	S	24.1	Very low	25.6	Very low	105 Å²	105	132 Å²	132	73%	0.734	77%	0.769	S	S	*	*			cis	81.1	145.3	29.5	-50.2	0	0	0	0	115
148	S	24.1	Very low	25.6	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	78%	0.775	S	S	*	*			cis	-176.2	-178.9	-21.7	61	0	0	0	0	107.8
149	T	24.5	Very low	25.5	Very low	131 Å²	131	130.5 Å²	130.5	80%	0.804	77%	0.77	S	S	*	*			cis	-162.1	145.5	3.9	-14.8	0	0	0	0	109.9
150	S	22.3	Very low	25.5	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	77%	0.772	S	S	*	*			trans	-159.3	145.6	151.6	62	0	0	0	0	110.3
151	S	25.4	Very low	25.4	Very low	114 Å²	114	134.4 Å²	134.4	80%	0.797	77%	0.765	S	S	*	*			cis	-140.8	166.4	-3.8	59.5	0	0	0	0	112.9
152	E	23.8	Very low	25.3	Very low	158 Å²	158	136 Å²	136	74%	0.738	77%	0.766	S	S	*	*			trans	-51.7	168.5	172.6	-63	169.6	97.5	0	0	115.1
153	Q	28.3	Very low	25.2	Very low	126 Å²	126	130 Å²	130	59%	0.589	76%	0.762	S	S	*	*			cis	-168.5	169.6	-11.3	-102.9	166	27.8	0	0	105.6
154	K	24.7	Very low	25.1	Very low	164 Å²	164	128.6 Å²	128.6	71%	0.713	77%	0.765	S	S	*	*			cis	-178.6	146.5	47.4	-133.6	142.9	-176.5	141.3	0	110.3
155	H	24.6	Very low	25.2	Very low	164 Å²	164	133.6 Å²	133.6	76%	0.759	77%	0.769	S	S	*	*			trans	21.3	136.1	154.4	-65	-96.7	0	0	0	122.3
156	S	22.6	Very low	24.7	Very low	101 Å²	101	135 Å²	135	71%	0.706	77%	0.765	S	S	*	*				70.7	141.8	52.7	-53	0	0	0	0	113.9
157	L	24.4	Very low	24.7	Very low	167 Å²	167	137.4 Å²	137.4	87%	0.874	77%	0.769	S	S	*	*			cis	-160.9	170.1	1.1	-148	89.3	0	0	0	108.9
158	G	24.7	Very low	24.7	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	77%	0.768	S	S	*	*			trans	164.2	139.6	164.4	0	0	0	0	0	117.4
159	E	24.4	Very low	25.4	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	77%	0.773	S	S	*	*			trans	-121.9	167.2	-170	-57.9	-179	101.1	0	0	115.6
160	I	25.7	Very low	25.4	Very low	132 Å²	132	139.8 Å²	139.8	68%	0.677	78%	0.778	S	S	*	*			trans	87.2	114.6	140.5	-82.7	158.4	0	0	0	122.2
161	R	23.8	Very low	25.6	Very low	220 Å²	220	144.8 Å²	144.8	83%	0.83	78%	0.778	S	S	*	*			trans	72.1	120.4	141.4	-75.4	-179	-178.9	169.4	0.5	124.9
162	S	24	Very low	25.6	Very low	99 Å²	99	146.6 Å²	146.6	69%	0.692	78%	0.779	S	S	*	*				96.9	104.9	121	-71.4	0	0	0	0	122.9
163	S	25.1	Very low	25.5	Very low	125 Å²	125	150.3 Å²	150.3	87%	0.874	79%	0.788	S	S	*	*				75	114.5	125.9	-51.5	0	0	0	0	121
164	G	25.6	Very low	25.3	Very low	81 Å²	81	150.9 Å²	150.9	84%	0.835	79%	0.794	S	S	*	*			trans	167.5	108.9	164	0	0	0	0	0	115.2
165	E	25.3	Very low	25.3	Very low	176 Å²	176	150.3 Å²	150.3	82%	0.822	80%	0.798	S	S	*	*			trans	-41.4	160.2	172.2	-57.5	-171.4	115.6	0	0	117.5
166	H	26.4	Very low	25.2	Very low	148 Å²	148	152 Å²	152	69%	0.685	81%	0.806	S	S	*	*			cis	-159.6	175.8	3.5	-134.7	93	0	0	0	112.1
167	F	24.5	Very low	25.2	Very low	204 Å²	204	150 Å²	150	90%	0.895	80%	0.801	S	S	*	*			trans	92.6	129	174.4	-69.5	-84	0	0	0	118.1
168	G	23.9	Very low	25.1	Very low	69 Å²	69	151 Å²	151	71%	0.711	80%	0.801	S	S	*	*			trans	-129.7	-137.9	176.9	0	0	0	0	0	110.6
169	P	39.5	Very low	25	Very low	126 Å²	126	153.7 Å²	153.7	82%	0.818	80%	0.802	S	S	*	*			cis	-131	168	-1	42	-27.7	0	0	0	114.9
170	E	25.5	Very low	25	Very low	194 Å²	194	149.8 Å²	149.8	91%	0.907	80%	0.8	S	S	*	*				-169.6	-175.9	125.1	-113.5	-166.5	170.1	0	0	113.5
171	R	26.6	Very low	25	Very low	225 Å²	225	147.4 Å²	147.4	85%	0.849	81%	0.807	S	S	*	*			trans	-106.2	141.2	-161.7	-66.5	168.2	164.9	157.8	-7.6	114.4
172	N	23.6	Very low	25	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	80%	0.795	S	S	*	*			trans	-174.5	139.8	131.2	-100.3	-31.6	0	0	0	111.3
173	Y	22.8	Very low	25	Very low	236 Å²	236	146.1 Å²	146.1	93%	0.925	80%	0.801	S	S	*	*			trans	-156.5	162.3	160	-113.2	-77.3	0	0	0	110.8
174	I	23.6	Very low	25	Very low	139 Å²	139	147.6 Å²	147.6	71%	0.713	79%	0.792	S	S	*	*			trans	-138.4	148.5	-156.2	-83.6	176.3	0	0	0	112.1
175	L	24.8	Very low	25	Very low	151 Å²	151	148.6 Å²	148.6	79%	0.791	78%	0.775	S	S	*	*			trans	56.6	119.9	163.4	-78.2	163.7	0	0	0	120.8
176	H	22.1	Very low	25	Very low	201 Å²	201	145.4 Å²	145.4	93%	0.931	76%	0.764	S	S	*	*				-160.3	155.5	109.7	-91.9	-86.2	0	0	0	105.9
177	G	23.4	Very low	25	Very low	58 Å²	58	141.9 Å²	141.9	60%	0.598	75%	0.75	S	S	*	*			cis	176.9	167.6	-7.4	0	0	0	0	0	110.1
178	E	21.1	Very low	25.1	Very low	189 Å²	189	137.5 Å²	137.5	88%	0.883	73%	0.727	S	S	*	*			trans	57.7	143.2	150.7	-90.9	179.2	-162.4	0	0	125.4
179	V	23.8	Very low	25.1	Very low	129 Å²	129	138.7 Å²	138.7	78%	0.782	72%	0.717	S	S	*	*			trans	92.9	130.3	138.8	163.1	0	0	0	0	122.8
180	A	24	Very low	24.5	Very low	92 Å²	92	135 Å²	135	76%	0.76	69%	0.692	S	S	*	*			trans	62.8	99.6	154	0	0	0	0	0	123.3
181	G	25.1	Very low	24.5	Very low	81 Å²	81	131.3 Å²	131.3	84%	0.835	68%	0.676	S	S	*	*				77	-178.9	123.2	0	0	0	0	0	118.9
182	S	24.1	Very low	24.6	Very low	82 Å²	82	123.2 Å²	123.2	57%	0.573	65%	0.65	S	S	*	*			cis	-163.6	147.4	-20.8	-171.4	0	0	0	0	109.5
183	Y	24.4	Very low	24.8	Very low	210 Å²	210	121.6 Å²	121.6	82%	0.824	64%	0.638	S	S	*	*			trans	66	158.2	174.5	-43.1	-63.5	0	0	0	114
184	K	25.7	Very low	25	Very low	156 Å²	156	113.5 Å²	113.5	68%	0.678	62%	0.62	S	S	*	*			cis	-158.8	172.4	-12.3	-127.3	-179.4	-178.7	-140.2	0	110.1
185	E	24.8	Very low	25.4	Very low	102 Å²	102	110.8 Å²	110.8	48%	0.477	61%	0.613	S	S	.	*			trans	17.2	116.6	141.3	-72.7	172.8	-119.5	0	0	116.8	R582	E185-R582 IonicContact OE2-CZ 3.98Å; E185-R582 IonicContact OE2-NH1 3.65Å; E185-R582 IonicContact OE2-NH2 3.39Å; E185-R582 PolarHBondContact OE2-NH2 3.38Å
186	D	25.1	Very low	25.8	Very low	110 Å²	110	110.5 Å²	110.5	59%	0.588	61%	0.608	S	S	*	*				111.8	153	84.8	-91.5	18.6	0	0	0	109.5	R582	D186-R582 IonicContact OD2-CZ 3.51Å; D186-R582 IonicContact OD2-NE 2.77Å; D186-R582 IonicContact OD2-NH2 3.76Å; D186-R582 PolarHBondContact OD2-NH2 3.32Å
187	D	26	Very low	26.1	Very low	73 Å²	73	103.7 Å²	103.7	39%	0.39	58%	0.581	S	S	.	*			cis	-161.9	154.1	-24.2	-165.3	7.8	0	0	0	109.1	Q580	D187-Q580 VanDerWaalsContact CG-NE2 3.3Å; D187-Q580 PolarHBondContact OD2-NE2 3.14Å
188	R	27.1	Very low	26.2	Very low	112 Å²	112	104.7 Å²	104.7	42%	0.423	57%	0.572	S	S	.	*			trans	27.4	133	149.6	-87	177.8	-66.1	-178.3	-174.7	121.7	Q580	R188-Q580 HydrophobicContact CB-CG 4.07Å
189	N	24.8	Very low	26.4	Very low	94 Å²	94	99.2 Å²	99.2	50%	0.503	55%	0.554	S	S	.	*				102	132.6	114.6	-84.4	2	0	0	0	122.6	L579	N189-L579 PolarHBondContact ND2-O 3.42Å
190	T	26.2	Very low	26.6	Very low	48 Å²	48	99.8 Å²	99.8	29%	0.294	55%	0.552	S	S	.	*				86.9	87.2	129.6	58.2	0	0	0	0	120.9	R644	T190-R644 PolarHBondContact OG1-NH2 2.98Å
191	M	26.2	Very low	26.8	Very low	117 Å²	117	96.8 Å²	96.8	58%	0.576	52%	0.523	S	S	*	.				85.6	151.1	95.1	-92	-176.6	150.1	0	0	121.3
192	N	27.5	Very low	27.1	Very low	55 Å²	55	93.4 Å²	93.4	29%	0.294	49%	0.485	S	S	.	.			trans	81.8	109.9	143.4	-74.8	29	0	0	0	119.5	K648	N192-K648 VanDerWaalsContact C-NZ 3.32Å; N192-K648 PolarHBondContact O-NZ 3.36Å
193	E	27.3	Very low	27.4	Very low	118 Å²	118	92.9 Å²	92.9	55%	0.551	47%	0.474	S	S	*	.				78.4	139.9	113	-72.2	-171.2	95.9	0	0	120.2	K648	E193-K648 VanDerWaalsContact C-NZ 3.32Å; E193-K648 PolarHBondContact O-NZ 3.32Å
194	A	27.5	Very low	27.4	Very low	66 Å²	66	88.1 Å²	88.1	55%	0.545	46%	0.459	S	S	.	.			trans	63.6	149.2	130.8	0	0	0	0	0	121.1
195	S	32.6	Very low	28.2	Very low	83 Å²	83	86.2 Å²	86.2	58%	0.58	46%	0.463	S	S	*	.			cis	-168.1	-155.6	-26	-99.5	0	0	0	0	105
196	Q	32.9	Very low	28.8	Very low	144 Å²	144	87.1 Å²	87.1	67%	0.673	48%	0.477	S	S	*	.			trans	82	136.3	144.7	-58.3	-159.2	-13.8	0	0	116.4	N673	Q196-N673 PolarHBondContact OE1-ND2 3.32Å
197	T	28.1	Very low	28.8	Very low	59 Å²	59	91 Å²	91	36%	0.362	49%	0.489	S	S	.	.			cis	-165.3	165.3	-1.5	11.3	0	0	0	0	111.4	N673	T197-N673 PolarHBondContact OG1-ND2 3.02Å; T197-N673 PolarHBondContact OG1-OD1 3.26Å; T197-N673 VanDerWaalsContact OG1-OD1 3.07Å
198	L	26.4	Very low	28.7	Very low	79 Å²	79	93.1 Å²	93.1	41%	0.414	50%	0.504	S	S	.	.			trans	42	124.2	141.6	-55.9	163.1	0	0	0	119.2	A549 A550	L198-A549 HydrophobicContact CD2-CB 3.54Å; L198-A550 HydrophobicContact CD2-CB 4.19Å
199	S	24.3	Very low	28.5	Very low	73 Å²	73	95.9 Å²	95.9	51%	0.51	52%	0.522	S	S	.	.			cis	88.5	113	35.3	-54.4	0	0	0	0	116	M201 A550	S199-M201 VanDerWaalsContact CB-SD 3.59Å; S199-A550 WeakPolarHBondContact O-CB 3.44Å
200	L	29.5	Very low	28.5	Very low	141 Å²	141	98.5 Å²	98.5	74%	0.738	53%	0.531	S	S	*	.			trans	-151.7	135.6	176	-130.2	68.5	0	0	0	113.7	F545 A550	L200-F545 HydrophobicContact CD1-CD1 3.69Å; L200-F545 HydrophobicContact CD1-CE1 3.69Å; L200-F545 HydrophobicContact CD2-CE1 4.35Å; L200-F545 HydrophobicContact CG-CD1 3.89Å; L200-F545 HydrophobicContact CG-CE1 3.79Å; L200-A550 HydrophobicContact CD1-CB 4.45Å
201	M	27.8	Very low	28.3	Very low	30 Å²	30	104 Å²	104	15%	0.148	55%	0.554	C	S	.	*				-149.2	0	-117.6	-135.7	150	56.2	0	0	115.6	S199 S544 F545 K546 L547 A550	S199-M201 VanDerWaalsContact CB-SD 3.59Å; M201-S544 CarbonylContact C-O 3.17Å; M201-S544 WeakPolarHBondContact CA-O 3.42Å; M201-S544 PolarHBondContact N-O 3.42Å; M201-S544 CarbonylContact O-C 3.45Å; M201-S544 WeakPolarHBondContact O-CB 3.43Å; M201-F545 VanDerWaalsContact C-CA 3.43Å; M201-F545 HydrophobicContact CB-CB 4.34Å; M201-F545 WeakPolarHBondContact CB-O 3.46Å; M201-F545 WeakPolarHBondContact CE-O 3.48Å; M201-K546 VanDerWaalsContact C-CG 3.4Å; M201-K546 HydrophobicContact CB-CB 3.83Å; M201-K546 HydrophobicContact CB-CG 3.81Å; M201-K546 HydrophobicContact CG-CB 3.1Å; M201-K546 HydrophobicContact CG-CD 3.93Å; M201-K546 HydrophobicContact CG-CG 3.37Å; M201-K546 HydrophobicContact SD-CB 4.47Å; M201-L547 HydrophobicContact CE-CB 4.19Å; M201-L547 WeakPolarHBondContact CE-O 3.35Å; M201-L547 HydrophobicContact CG-CD1 4.3Å; M201-L547 VanDerWaalsContact CG-N 3.31Å; M201-L547 HydrophobicContact SD-CB 3.81Å; M201-L547 HydrophobicContact SD-CD1 4.32Å; M201-A550 HydrophobicContact CE-CB 4.11Å
202	H	31.1	Very low	28.2	Very low	10 Å²	10	103.6 Å²	103.6	5%	0.046	56%	0.562	C	S	.	*				0	-179.7	0	-86.7	-49.7	0	0	0	111.6	A534 F536 R537 C538 Q543 F545 K546 Y551	H202-A534 WeakPolarHBondContact O-CB 3.23Å; H202-F536 WeakPolarHBondContact CB-O 3.25Å; H202-F536 WeakPolarHBondContact CE1-CB 3.09Å; H202-F536 WeakPolarHBondContact ND1-CA 3.14Å; H202-F536 WeakPolarHBondContact ND1-CB 3.29Å; H202-F536 PolarHBondContact ND1-O 2.76Å; H202-R537 VanDerWaalsContact CD2-C 3.49Å; H202-R537 VanDerWaalsContact CD2-CA 3.47Å; H202-R537 WeakPolarHBondContact CD2-CA 3.16Å; H202-R537 PolarHBondContact CE1-N 3.26Å; H202-R537 PolarHBondContact ND1-N 3.41Å; H202-C538 PolarHBondContact CD2-N 2.77Å; H202-C538 VanDerWaalsContact CD2-N 3.27Å; H202-C538 PolarHBondContact NE2-N 3.37Å; H202-Q543 PolarHBondContact CD2-O 3.48Å; H202-F545 VanDerWaalsContact CA-N 3.35Å; H202-F545 WeakPolarHBondContact CD2-CA 3.27Å; H202-F545 VanDerWaalsContact CD2-CB 3.44Å; H202-F545 WeakPolarHBondContact CD2-CB 3.2Å; H202-F545 PolarHBondContact CD2-N 3.08Å; H202-F545 VanDerWaalsContact CE1-C 3.43Å; H202-F545 PolarHBondContact CE1-O 2.79Å; H202-F545 VanDerWaalsContact CE1-O 3.28Å; H202-F545 PolarHBondContact ND1-O 3.38Å; H202-F545 VanDerWaalsContact ND1-O 3.16Å; H202-K546 VanDerWaalsContact CB-N 3.34Å; H202-K546 WeakPolarHBondContact ND1-CA 3.48Å; H202-K546 PolarHBondContact ND1-N 3.4Å; H202-K546 PolarHBondContact ND1-O 3.47Å; H202-Y551 WeakPolarHBondContact CE1-CB 3.25Å; H202-Y551 AromaticContact CE1-CD1 3.82Å; H202-Y551 AromaticContact CE1-CD2 3.46Å; H202-Y551 VanDerWaalsContact CE1-CD2 3.46Å; H202-Y551 WeakPolarHBondContact CE1-CD2 3.15Å; H202-Y551 AromaticContact CE1-CG 3.27Å; H202-Y551 WeakPolarHBondContact NE2-CB 3.17Å; H202-Y551 AromaticContact NE2-CD2 3.01Å; H202-Y551 WeakPolarHBondContact NE2-CD2 3.29Å; H202-Y551 AromaticContact NE2-CE2 3.69Å; H202-Y551 AromaticContact NE2-CG 3.32Å; H202-Y551 VanDerWaalsContact NE2-CG 3.32Å
203	Q	29.6	Very low	28	Very low	71 Å²	71	108.7 Å²	108.7	33%	0.332	59%	0.585	S	S	.	*			trans	-67.7	-165.7	173.5	-59.7	172.6	-29	0	0	118.5	A534 L535 F536 R537	Q203-A534 WeakPolarHBondContact CG-O 3.38Å; Q203-L535 PolarHBondContact NE2-O 3.47Å; Q203-F536 VanDerWaalsContact CB-O 3.31Å; Q203-F536 WeakPolarHBondContact CB-O 3.46Å; Q203-F536 WeakPolarHBondContact CG-O 3.27Å; Q203-F536 PolarHBondContact N-O 2.95Å; Q203-F536 PolarHBondContact OE1-O 3.44Å; Q203-R537 HydrophobicContact CB-CB 4.28Å; Q203-R537 HydrophobicContact CB-CG 4.31Å
204	Q	25.7	Very low	27.8	Very low	109 Å²	109	111 Å²	111	51%	0.509	60%	0.595	S	S	.	*			cis	-172.1	161.4	17.7	-148.5	177.5	8.9	0	0	115.3	R537	Q204-R537 HydrophobicContact CB-CG 4.22Å; Q204-R537 PolarHBondContact O-NH1 3.32Å; Q204-R537 PolarHBondContact O-NH2 3.1Å
205	P	42.7	Very low	27.7	Very low	117 Å²	117	111.6 Å²	111.6	76%	0.76	61%	0.608	S	S	*	*			trans	-124.4	-171.9	179.6	44.4	-32.7	0	0	0	116.9
206	P	35.9	Very low	27.2	Very low	121 Å²	121	115.5 Å²	115.5	79%	0.786	62%	0.617	S	S	*	*			trans	-146.8	141	155.2	39.1	-21.4	0	0	0	120.1
207	K	24.9	Very low	26.8	Very low	192 Å²	192	117.1 Å²	117.1	84%	0.835	62%	0.622	S	S	*	*			trans	60.6	115	134.7	-74.4	-163.9	173.9	-167.4	0	127.2
208	T	23.7	Very low	26.6	Very low	116 Å²	116	118.4 Å²	118.4	71%	0.712	64%	0.639	S	S	*	*				63.9	141.3	126.4	51.6	0	0	0	0	127.1
209	E	23.9	Very low	27.1	Very low	171 Å²	171	120.3 Å²	120.3	80%	0.799	66%	0.656	S	S	*	*			trans	114.5	124.9	138.3	-91.4	159.4	-149.6	0	0	123.5
210	Q	24.6	Very low	27.1	Very low	148 Å²	148	120.7 Å²	120.7	69%	0.692	66%	0.663	S	S	*	*			trans	56.8	121.8	153.3	-73.6	-177.5	-64.3	0	0	127
211	E	23.1	Very low	26.9	Very low	163 Å²	163	120.3 Å²	120.3	76%	0.762	67%	0.667	S	S	*	*				85.7	149.4	128	-72.7	177.1	-168.8	0	0	125.6
212	S	22.5	Very low	26.7	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	69%	0.692	S	S	*	*			trans	72.4	98.3	161	60.6	0	0	0	0	124.4
213	E	23.3	Very low	26.4	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.762	73%	0.731	S	S	*	*				69.5	123.5	118.9	-61.1	-136.4	89.7	0	0	125.4
214	Q	24.3	Very low	26.1	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	75%	0.75	S	S	*	*			trans	69.4	101.6	135.6	-64	-172.1	40.7	0	0	123.7
215	G	24.5	Very low	26	Very low	78 Å²	78	134 Å²	134	80%	0.804	77%	0.768	S	S	*	*				85.3	166.8	127.7	0	0	0	0	0	119.6
216	Q	23.1	Very low	25.3	Very low	166 Å²	166	136.3 Å²	136.3	78%	0.776	77%	0.769	S	S	*	*			cis	-162.7	164.5	-22	-154.3	174.4	19.6	0	0	109.7
217	F	24.8	Very low	25.1	Very low	178 Å²	178	136.9 Å²	136.9	78%	0.781	77%	0.773	S	S	*	*			trans	69.5	122.8	168.7	-67.7	-76.6	0	0	0	121.2
218	A	23.3	Very low	25	Very low	86 Å²	86	134.4 Å²	134.4	71%	0.711	77%	0.769	S	S	*	*			trans	-100.7	170.2	135.7	0	0	0	0	0	108
219	P	37.3	Very low	25	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	78%	0.778	S	S	*	*				-156.8	153.7	78	40.6	-20.2	0	0	0	119.2
220	A	24.2	Very low	24.9	Very low	80 Å²	80	132.3 Å²	132.3	66%	0.661	77%	0.774	S	S	*	*			trans	58.3	150	131.2	0	0	0	0	0	125.5
221	T	23.7	Very low	24.9	Very low	134 Å²	134	130.7 Å²	130.7	82%	0.822	78%	0.779	S	S	*	*			trans	69.7	148.9	150.9	44.1	0	0	0	0	120.1
222	S	24.5	Very low	24.9	Very low	95 Å²	95	128.6 Å²	128.6	66%	0.664	78%	0.777	S	S	*	*			cis	-167.2	169.9	-12.1	52.4	0	0	0	0	112.6
223	M	24.7	Very low	24.9	Very low	177 Å²	177	130.9 Å²	130.9	87%	0.872	78%	0.781	S	S	*	*			trans	63.6	132.6	163.4	-54.5	-156.5	172.3	0	0	118
224	A	22.9	Very low	25	Very low	88 Å²	88	129.5 Å²	129.5	73%	0.727	78%	0.783	S	S	*	*			cis	97.5	112.7	24.7	0	0	0	0	0	115.3
225	T	24.7	Very low	24.8	Very low	147 Å²	147	126.1 Å²	126.1	90%	0.902	78%	0.784	S	S	*	*			trans	-168.9	146	146.9	7.1	0	0	0	0	111.4
226	Q	26.9	Very low	24.7	Very low	165 Å²	165	129.4 Å²	129.4	77%	0.771	78%	0.782	S	S	*	*			trans	-117.4	170.9	157.6	-82.6	-165.2	-17	0	0	108.3
227	P	31.7	Very low	24.6	Very low	133 Å²	133	128.9 Å²	128.9	86%	0.864	78%	0.78	S	S	*	*				-129.5	-176.6	113.9	37.5	-30.9	0	0	0	114
228	N	22.7	Very low	24.4	Very low	140 Å²	140	126.4 Å²	126.4	75%	0.749	78%	0.779	S	S	*	*			trans	-134.7	-172.9	-160.7	-167.7	-3.4	0	0	0	110.7
229	L	23.7	Very low	24.3	Very low	173 Å²	173	127.9 Å²	127.9	91%	0.906	78%	0.78	S	S	*	*			trans	97.4	134.7	-178.5	-57.9	151.2	0	0	0	114.5
230	G	23.2	Very low	23.6	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	78%	0.782	S	S	*	*			cis	170.3	161.9	-10.9	0	0	0	0	0	115.9
231	S	22.9	Very low	23.5	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	79%	0.786	S	S	*	*			trans	70.6	93.3	159.1	-161.5	0	0	0	0	123.4
232	V	23.7	Very low	23.4	Very low	118 Å²	118	127 Å²	127	72%	0.715	78%	0.784	S	S	*	*				21.2	122.9	124	-161.6	0	0	0	0	120.8
233	N	21.9	Very low	23.2	Very low	157 Å²	157	127.9 Å²	127.9	84%	0.84	79%	0.788	S	S	*	*				-176.9	173.3	112	-108.6	-58	0	0	0	116.3
234	V	26	Very low	23	Very low	134 Å²	134	127 Å²	127	81%	0.812	78%	0.782	S	S	*	*			trans	-119.2	139.5	-167	175.1	0	0	0	0	113.2
235	A	20.5	Very low	23	Very low	96 Å²	96	129 Å²	129	79%	0.793	78%	0.777	S	S	*	*			trans	-160.3	152.8	158.9	0	0	0	0	0	114.8
236	L	22.4	Very low	22.9	Very low	146 Å²	146	131.9 Å²	131.9	76%	0.764	77%	0.772	S	S	*	*			trans	-77.9	167.4	160.9	-101.5	61.7	0	0	0	109.7
237	Q	21.2	Very low	22.5	Very low	155 Å²	155	132.6 Å²	132.6	72%	0.724	77%	0.773	S	S	*	*			cis	-161	166.2	5.8	-139.7	165.6	10.1	0	0	110.4
238	T	19.9	Very low	22.2	Very low	126 Å²	126	131.8 Å²	131.8	77%	0.773	77%	0.765	S	S	*	*			trans	67.1	-167.1	164.3	61.3	0	0	0	0	117.5
239	T	21.5	Very low	22.2	Very low	118 Å²	118	133.8 Å²	133.8	72%	0.724	77%	0.77	S	S	*	*				-136.6	-171.9	-90.6	45.5	0	0	0	0	108.7
240	T	21.9	Very low	22.1	Very low	131 Å²	131	129.6 Å²	129.6	80%	0.804	76%	0.755	S	S	*	*			cis	-165.5	147	22.9	-30	0	0	0	0	112.9
241	G	23.3	Very low	22	Very low	73 Å²	73	134.1 Å²	134.1	75%	0.753	76%	0.763	S	S	*	*			trans	86.6	147.7	163.2	0	0	0	0	0	116.5
242	S	21.1	Very low	21.9	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	76%	0.762	S	S	*	*			cis	-158.2	161.6	-5.3	71.7	0	0	0	0	112.3
243	C	19.7	Very low	21.8	Very low	113 Å²	113	134 Å²	134	76%	0.764	77%	0.767	S	S	*	*			trans	65.4	143.4	170.6	-71.3	0	0	0	0	117.9
244	Q	22.2	Very low	21.8	Very low	158 Å²	158	136.8 Å²	136.8	74%	0.738	77%	0.768	S	S	*	*			cis	-154.5	156.6	-9.5	-139.2	173.9	1.4	0	0	110.8
245	Q	21.1	Very low	21.7	Very low	131 Å²	131	134.6 Å²	134.6	61%	0.612	76%	0.758	S	S	*	*			trans	25.6	140.2	153.7	-81.7	163.1	-41.5	0	0	121.8
246	Y	22.4	Very low	21.9	Very low	206 Å²	206	140 Å²	140	81%	0.808	76%	0.764	S	S	*	*			cis	-146	167	17.2	-115.6	-72.3	0	0	0	112.5
247	K	20.2	Very low	22	Very low	181 Å²	181	136.9 Å²	136.9	79%	0.787	77%	0.766	S	S	*	*			trans	-121.7	140.2	173.4	-98.9	-169	173.9	-178	0	109.9
248	V	24.4	Very low	22	Very low	115 Å²	115	133.1 Å²	133.1	70%	0.697	77%	0.769	S	S	*	*				69.3	109.7	74.6	177	0	0	0	0	115.3
249	Q	22.5	Very low	22.1	Very low	182 Å²	182	135.4 Å²	135.4	85%	0.85	77%	0.768	S	S	*	*			trans	171	143	146.2	-93.3	137.1	4.2	0	0	107.8
250	S	21.6	Very low	22.2	Very low	86 Å²	86	138.1 Å²	138.1	60%	0.601	77%	0.771	S	S	*	*			cis	104.7	131.9	12.9	78.8	0	0	0	0	115.7
251	N	21.6	Very low	22.2	Very low	165 Å²	165	137.3 Å²	137.3	88%	0.882	77%	0.766	S	S	*	*			trans	74.3	152.5	165.9	-53.4	-6.6	0	0	0	118.5
252	G	21.7	Very low	22.3	Very low	76 Å²	76	138 Å²	138	78%	0.784	76%	0.764	S	S	*	*			trans	130.8	104.6	145.5	0	0	0	0	0	117.3
253	D	21	Very low	22.5	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	76%	0.763	S	S	*	*			trans	-71.6	145.9	159.6	-57.7	-95.3	0	0	0	111.7
254	Y	22.5	Very low	22.8	Very low	216 Å²	216	139.9 Å²	139.9	85%	0.847	76%	0.762	S	S	*	*				176	134.2	115.1	-113.4	-112.1	0	0	0	115.5
255	S	23.2	Very low	22.8	Very low	87 Å²	87	137 Å²	137	61%	0.608	76%	0.76	S	S	*	*			trans	56.2	117.1	142.1	-71.2	0	0	0	0	125.6
256	K	25.4	Very low	23.1	Very low	211 Å²	211	139 Å²	139	92%	0.917	77%	0.774	S	S	*	*				56.7	131.8	125	-72.6	-178	172.6	177.2	0	123.6
257	G	22.6	Very low	23.1	Very low	79 Å²	79	136.3 Å²	136.3	81%	0.814	77%	0.773	S	S	*	*			trans	121.9	126.6	169.7	0	0	0	0	0	109.9
258	G	22.1	Very low	23.4	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	78%	0.775	S	S	*	*			cis	94.7	123.9	39.6	0	0	0	0	0	108.5
259	F	21.8	Very low	23.3	Very low	174 Å²	174	133.2 Å²	133.2	76%	0.763	77%	0.774	S	S	*	*			cis	-161.7	149.1	10.6	-115.9	-75.5	0	0	0	109.5
260	F	23.4	Very low	23.3	Very low	176 Å²	176	131.6 Å²	131.6	77%	0.772	78%	0.777	S	S	*	*			trans	56.8	163.8	156.6	-64.1	-37	0	0	0	119.5
261	T	22.6	Very low	23.3	Very low	114 Å²	114	131 Å²	131	70%	0.699	78%	0.784	S	S	*	*			cis	-166.5	148.6	-23.9	30.1	0	0	0	0	108.7
262	A	25.7	Very low	23.4	Very low	87 Å²	87	128.7 Å²	128.7	72%	0.719	78%	0.781	S	S	*	*			trans	62.7	153.3	143.8	0	0	0	0	0	119.1
263	D	24.3	Very low	23.4	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	78%	0.781	S	S	*	*			cis	-160.3	171.1	-16.4	-125	-48.1	0	0	0	110.8
264	T	25.6	Very low	23.5	Very low	124 Å²	124	128.3 Å²	128.3	76%	0.761	77%	0.766	S	S	*	*			trans	60.8	157.3	160.7	51.9	0	0	0	0	119.8
265	S	23.4	Very low	23.5	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	75%	0.752	S	S	*	*			cis	179.2	138	-39.2	53.2	0	0	0	0	108.5
266	L	27.8	Very low	23.7	Very low	174 Å²	174	121.9 Å²	121.9	91%	0.911	75%	0.75	S	S	*	*			trans	-179	149	147.1	-103.8	163.8	0	0	0	111.2
267	D	21.8	Very low	23.6	Very low	149 Å²	149	116.2 Å²	116.2	80%	0.797	74%	0.737	S	S	*	*			trans	-89.6	160.6	-172.5	-58.1	-82.4	0	0	0	114.8
268	V	26.1	Very low	23.6	Very low	135 Å²	135	119.6 Å²	119.6	82%	0.818	74%	0.736	S	S	*	*				-169.8	118.5	122.6	140.5	0	0	0	0	112.8
269	S	22.5	Very low	23.6	Very low	96 Å²	96	120.3 Å²	120.3	67%	0.671	73%	0.73	S	S	*	*			trans	48.4	132.5	143.4	-52.8	0	0	0	0	125
270	T	23.3	Very low	23.7	Very low	149 Å²	149	118.3 Å²	118.3	91%	0.914	73%	0.727	S	S	*	*			trans	71.8	120.1	149	53.5	0	0	0	0	121.1
271	G	21.3	Very low	23.8	Very low	74 Å²	74	117.6 Å²	117.6	76%	0.763	73%	0.726	S	S	*	*			trans	157.7	90	159.5	0	0	0	0	0	117.7
272	S	23.1	Very low	24	Very low	115 Å²	115	115.8 Å²	115.8	80%	0.804	72%	0.717	S	S	*	*			trans	48.4	118.2	144.9	-56.7	0	0	0	0	123.3
273	N	22.3	Very low	24.1	Very low	148 Å²	148	118.7 Å²	118.7	79%	0.791	71%	0.714	S	S	*	*			trans	52.6	120.8	136	-74.7	-18.3	0	0	0	122.8
274	S	22.7	Very low	24.1	Very low	74 Å²	74	115 Å²	115	52%	0.517	69%	0.692	S	S	.	*			trans	108.2	124.4	142.8	-52	0	0	0	0	119.1	K683	S274-K683 WeakPolarHBondContact CB-O 3.37Å
275	C	22	Very low	24.1	Very low	80 Å²	80	116.3 Å²	116.3	54%	0.541	69%	0.69	S	S	.	*				8	145.6	123.8	-58.8	0	0	0	0	118	K683	C275-K683 HydrophobicContact CB-CD 3.59Å
276	P	28.8	Very low	24.2	Very low	88 Å²	88	113.1 Å²	113.1	57%	0.571	67%	0.672	S	S	*	*				-154.2	-171.9	51.7	44.2	-24.2	0	0	0	118.1
277	S	22.6	Very low	23.9	Very low	92 Å²	92	113.1 Å²	113.1	64%	0.643	67%	0.665	S	S	*	*			trans	66.9	107.3	148.8	-60.9	0	0	0	0	120.2
278	N	22.4	Very low	24	Very low	150 Å²	150	107.7 Å²	107.7	80%	0.802	65%	0.645	S	S	*	*				-148.7	132.4	110.6	-99.9	-19.4	0	0	0	107.6
279	S	23	Very low	24.1	Very low	92 Å²	92	107.2 Å²	107.2	64%	0.643	63%	0.634	S	S	*	*				60.6	127.8	81.9	93	0	0	0	0	112
280	D	22.4	Very low	24.3	Very low	131 Å²	131	107.3 Å²	107.3	70%	0.701	63%	0.625	S	S	*	*			cis	-164.5	-162.7	0.9	-148.2	-66.8	0	0	0	108.8
281	H	25.8	Very low	24.5	Very low	162 Å²	162	103 Å²	103	75%	0.75	60%	0.596	S	S	*	*			trans	70.3	174.7	158.6	-56.1	-28.3	0	0	0	117.6
282	S	26.5	Very low	24.9	Very low	75 Å²	75	104.9 Å²	104.9	52%	0.524	59%	0.585	S	S	.	*			cis	-170	164	-43.9	-80.8	0	0	0	0	108.6
283	K	28.6	Very low	25	Very low	149 Å²	149	103.3 Å²	103.3	65%	0.648	57%	0.567	S	S	*	*			trans	60	147.1	169	-54.6	177.6	177.9	179.9	0	116.8	H626	K283-H626 VanDerWaalsContact C-CB 3.47Å; K283-H626 PolarHBondContact N-ND1 2.83Å; K283-H626 PolarHBondContact O-CE1 2.74Å; K283-H626 PolarHBondContact O-ND1 3.35Å
284	E	24.7	Very low	25.2	Very low	61 Å²	61	103.1 Å²	103.1	29%	0.285	56%	0.561	S	S	.	*			cis	65.4	127.4	39.1	-93.8	-174.8	172.6	0	0	116.8	V608 R623 H626 T627	E284-V608 HydrophobicContact CB-CG2 4.49Å; E284-V608 HydrophobicContact CG-CG2 4.38Å; E284-V608 VanDerWaalsContact N-CG1 3.27Å; E284-V608 WeakPolarHBondContact O-CG1 3.38Å; E284-R623 HydrophobicContact CG-CG 4.43Å; E284-R623 VanDerWaalsContact OE1-CD 3.26Å; E284-R623 WeakPolarHBondContact OE1-CD 3.1Å; E284-R623 WeakPolarHBondContact OE1-CG 3.18Å; E284-R623 IonicContact OE1-NE 2.69Å; E284-H626 HydrophobicContact CB-CB 3.84Å; E284-H626 HydrophobicContact CG-CB 3.72Å; E284-T627 WeakPolarHBondContact OE1-CG2 3.42Å; E284-T627 WeakPolarHBondContact OE2-CG2 3.44Å
285	Q	24.4	Very low	25.4	Very low	151 Å²	151	106 Å²	106	71%	0.706	57%	0.57	S	S	*	*			cis	-138.7	-171.8	21.3	-27.5	89.6	-39.9	0	0	117.2	V608	Q285-V608 VanDerWaalsContact O-CA 3.28Å; Q285-V608 WeakPolarHBondContact O-CA 3.47Å; Q285-V608 PolarHBondContact O-N 2.72Å; Q285-V608 VanDerWaalsContact O-N 3.13Å
286	G	25.8	Very low	25.8	Very low	31 Å²	31	110 Å²	110	32%	0.32	58%	0.581	S	S	.	*			trans	59.3	154.1	149.7	0	0	0	0	0	124.8	K607	G286-K607 VanDerWaalsContact C-CG 3.5Å; G286-K607 CarbonylContact O-C 3.55Å; G286-K607 VanDerWaalsContact O-CA 3.23Å; G286-K607 WeakPolarHBondContact O-CA 3.12Å; G286-K607 WeakPolarHBondContact O-CB 3.41Å
287	F	22	Very low	25.7	Very low	173 Å²	173	112.4 Å²	112.4	76%	0.759	59%	0.589	S	S	*	*			cis	-151.6	-167.1	-24.6	-122.2	-85	0	0	0	111.4	K607	F287-K607 VanDerWaalsContact CA-CE 3.5Å; F287-K607 VanDerWaalsContact CD1-NZ 3.33Å
288	G	24.5	Very low	26	Very low	36 Å²	36	115.4 Å²	115.4	37%	0.371	60%	0.597	S	S	.	*			trans	90.3	141	175.8	0	0	0	0	0	117.1
289	Q	27.5	Very low	26.3	Very low	125 Å²	125	111 Å²	111	58%	0.584	59%	0.587	S	S	*	*			cis	70.8	147.4	10.5	-78.4	169	-57.7	0	0	116.6
290	M	26.2	Very low	26.6	Very low	98 Å²	98	114.2 Å²	114.2	48%	0.483	60%	0.597	S	S	.	*			cis	-175.1	178.3	-15	57.3	-162.2	-160.2	0	0	112.2	D592	M290-D592 HydrophobicContact CE-CB 3.84Å; M290-D592 HydrophobicContact SD-CB 3.72Å
291	D	28.5	Very low	26.9	Very low	59 Å²	59	115.7 Å²	115.7	32%	0.316	61%	0.605	S	S	.	*			trans	72.3	148.7	152.5	-58.1	-0.1	0	0	0	121.7	A594 L595	D291-A594 HydrophobicContact CB-CB 4.36Å; D291-A594 VanDerWaalsContact OD1-C 3.3Å; D291-A594 WeakPolarHBondContact OD1-CA 3.46Å; D291-A594 WeakPolarHBondContact OD1-CB 3.14Å; D291-A594 PolarHBondContact OD1-N 3.41Å; D291-L595 CarbonylContact C-O 3.08Å; D291-L595 WeakPolarHBondContact CA-O 3.46Å; D291-L595 PolarHBondContact N-O 2.69Å
292	E	28.4	Very low	27.1	Very low	113 Å²	113	115 Å²	115	53%	0.528	60%	0.602	S	S	.	*			cis	-161	160.9	-3	-123.6	-162.2	138.8	0	0	115.1	A594	E292-A594 HydrophobicContact CB-CB 4.5Å; E292-A594 HydrophobicContact CG-CB 3.3Å
293	L	26.5	Very low	27.1	Very low	81 Å²	81	119.6 Å²	119.6	42%	0.424	62%	0.62	S	S	.	*			trans	56.6	177.5	149.9	-59.5	172	0	0	0	123.5	Q596	L293-Q596 PolarHBondContact O-NE2 3.37Å; L293-Q596 PolarHBondContact O-OE1 2.93Å; L293-Q596 VanDerWaalsContact O-OE1 3.06Å
294	Q	25.2	Very low	26.9	Very low	144 Å²	144	119.4 Å²	119.4	67%	0.673	62%	0.621	S	S	*	*				-170.9	-167.2	-56.3	-149.7	179.9	11.8	0	0	108.9
295	L	27.1	Very low	26.9	Very low	134 Å²	134	124.6 Å²	124.6	70%	0.702	64%	0.643	S	S	*	*			trans	70.7	132	-178.4	-76.9	65.4	0	0	0	115
296	E	30.8	Very low	27.1	Very low	166 Å²	166	125.7 Å²	125.7	78%	0.776	65%	0.648	S	S	*	*			cis	84	141	49.1	-65	165.3	-166.5	0	0	111.4
297	D	27.7	Very low	27	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	67%	0.672	S	S	*	*			cis	-165.5	177.6	36.3	-170.1	14.2	0	0	0	112.6
298	L	28.2	Very low	27.2	Very low	156 Å²	156	127.1 Å²	127.1	82%	0.817	67%	0.668	S	S	*	*			trans	68.7	150.3	165	-48.7	178.9	0	0	0	119.6
299	G	27.5	Very low	27.4	Very low	57 Å²	57	131.2 Å²	131.2	59%	0.588	69%	0.69	S	S	*	*			cis	162.7	130.7	-9.9	0	0	0	0	0	113.9
300	D	29.6	Very low	27.6	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	70%	0.704	S	S	*	*			trans	60.5	160	160	-43.7	-34.2	0	0	0	118.9
301	D	28.8	Very low	27.8	Very low	162 Å²	162	137 Å²	137	87%	0.866	72%	0.716	S	S	*	*			cis	-150.8	173	13.7	-145.2	-23.9	0	0	0	112.4
302	E	30.9	Very low	27.8	Very low	147 Å²	147	141.5 Å²	141.5	69%	0.687	74%	0.739	S	S	*	*			trans	-116.2	146	-165.8	178.8	-173.4	166.3	0	0	115.6	H304	E302-H304 IonicContact OE1-CE1 2.68Å; E302-H304 IonicContact OE1-ND1 3.91Å
303	L	26.1	Very low	27.5	Very low	173 Å²	173	139.3 Å²	139.3	91%	0.906	75%	0.747	S	S	*	*			trans	-149.9	144.8	155.3	-87.7	-168	0	0	0	117.3
304	H	24.4	Very low	28	Very low	145 Å²	145	141.1 Å²	141.1	67%	0.671	76%	0.763	S	S	*	*			trans	-65.5	173.7	176	-82.5	20.6	0	0	0	117.4	E302	E302-H304 IonicContact OE1-CE1 2.68Å; E302-H304 IonicContact OE1-ND1 3.91Å
305	F	24.8	Very low	28.1	Very low	169 Å²	169	140.1 Å²	140.1	74%	0.741	77%	0.767	S	S	*	*			cis	-177.5	-172.2	-25.7	-145.8	-96.5	0	0	0	108.4
306	E	27.7	Very low	28.1	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	78%	0.776	S	S	*	*			trans	82.1	150.3	163	-63.3	-71.4	80.3	0	0	120.7
307	D	23.9	Very low	27.8	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	78%	0.78	S	S	*	*			trans	-122.3	169.4	-159.1	-174.7	12.3	0	0	0	111.7
308	A	26.6	Very low	27.9	Very low	80 Å²	80	143.3 Å²	143.3	66%	0.661	78%	0.783	S	S	*	*			trans	167.9	125.5	148.9	0	0	0	0	0	113.4
309	S	29.8	Very low	27.7	Very low	121 Å²	121	143.2 Å²	143.2	85%	0.846	78%	0.782	S	S	*	*				173.7	112.4	117.9	-74.5	0	0	0	0	114.2
310	E	30.4	Very low	27.7	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	80%	0.795	S	S	*	*			trans	-57.2	167.8	157.1	-77.1	167.5	172	0	0	113.1
311	E	30.4	Very low	27.4	Very low	158 Å²	158	149.6 Å²	149.6	74%	0.738	80%	0.796	S	S	*	*			cis	-169.9	179.9	-18.3	-170.2	-167	-145.3	0	0	107
312	L	28.4	Very low	27.3	Very low	153 Å²	153	147.6 Å²	147.6	80%	0.801	79%	0.794	S	S	*	*			trans	84.8	145.8	158.8	-54.2	174.1	0	0	0	119.9
313	G	23.3	Very low	27	Very low	67 Å²	67	147.6 Å²	147.6	69%	0.691	80%	0.799	S	S	*	*			trans	-127.9	-138.7	165.6	0	0	0	0	0	109.1
314	P	37	Very low	26.8	Very low	118 Å²	118	146.5 Å²	146.5	77%	0.766	79%	0.794	S	S	*	*			cis	-136.5	-150.9	-7.2	34.9	-11.1	0	0	0	112.3
315	T	26.6	Very low	27	Very low	123 Å²	123	144.8 Å²	144.8	76%	0.755	80%	0.799	S	S	*	*			trans	97.7	136.3	158.4	66.8	0	0	0	0	121.9
316	E	26.7	Very low	27.1	Very low	191 Å²	191	145.2 Å²	145.2	89%	0.893	80%	0.803	S	S	*	*			trans	73.1	163.5	150.2	-78.7	177.3	-160.8	0	0	122.6
317	E	24.9	Very low	27.1	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	80%	0.804	S	S	*	*			trans	-96.8	155.1	-149.2	-50.5	178.3	134.3	0	0	112.6
318	V	29.5	Very low	27.4	Very low	132 Å²	132	145.9 Å²	145.9	80%	0.8	80%	0.801	S	S	*	*				-167.4	149.5	119.7	139.3	0	0	0	0	108.8	E320	V318-E320 HydrophobicContact CG1-CG 4.39Å
319	I	24.8	Very low	27.3	Very low	153 Å²	153	149.7 Å²	149.7	79%	0.785	81%	0.809	S	S	*	*			trans	-109.4	117.6	170.6	-58.7	170.4	0	0	0	107.7
320	E	27.3	Very low	27.2	Very low	185 Å²	185	147.9 Å²	147.9	86%	0.864	80%	0.802	S	S	*	*			trans	-129.5	152.2	152.3	-70.5	-156.6	134.5	0	0	109.9	V318	V318-E320 HydrophobicContact CG1-CG 4.39Å
321	L	23.7	Very low	26.9	Very low	166 Å²	166	148.4 Å²	148.4	87%	0.869	80%	0.801	S	S	*	*			trans	-123.7	128.9	179.7	-72.3	168	0	0	0	108.2
322	S	26	Very low	26.9	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	80%	0.803	S	S	*	*			trans	-149.5	130.4	163.6	56.3	0	0	0	0	108.9
323	D	24.1	Very low	26.9	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	81%	0.808	S	S	*	*			trans	-77.1	-176.2	175.6	-69.4	-72.9	0	0	0	112.4
324	D	22.9	Very low	27.3	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	81%	0.813	S	S	*	*			trans	97.7	142.5	157.2	-60.5	-35.7	0	0	0	119.9
325	S	28.4	Very low	27.1	Very low	110 Å²	110	152.7 Å²	152.7	77%	0.769	81%	0.811	S	S	*	*			trans	74.1	139.9	165.5	-7.5	0	0	0	0	115.4
326	E	27.6	Very low	27.4	Very low	178 Å²	178	157.6 Å²	157.6	83%	0.832	82%	0.816	S	S	*	*			cis	-139.2	160.9	-4.6	-66.9	-167.9	135.8	0	0	107.7
327	E	27.8	Very low	27.9	Very low	181 Å²	181	156 Å²	156	85%	0.846	81%	0.814	S	S	*	*				34.2	133.2	82.5	-75.7	179.1	-155.9	0	0	114.7
328	E	29	Very low	28.7	Very low	162 Å²	162	149.7 Å²	149.7	76%	0.757	79%	0.789	S	S	*	*			cis	-160.4	-170.1	-6.6	-155.9	-152.9	-172.5	0	0	109.1
329	L	25.8	Very low	29.7	Very low	159 Å²	159	151.5 Å²	151.5	83%	0.832	79%	0.786	S	S	*	*			trans	77.5	154.9	165.2	-54.7	178.8	0	0	0	119.2
330	A	27.2	Very low	31.1	Very low	84 Å²	84	146.9 Å²	146.9	69%	0.694	77%	0.771	S	S	*	*			trans	-122.5	171.4	-170.7	0	0	0	0	0	111.4
331	F	23.2	Very low	32.5	Very low	198 Å²	198	141.3 Å²	141.3	87%	0.868	75%	0.746	S	S	*	*				-154.1	172.9	126.8	-105.8	-67	0	0	0	111
332	E	31.5	Very low	33.7	Very low	165 Å²	165	137 Å²	137	77%	0.771	73%	0.728	S	S	*	*			trans	-80.2	151.2	-160.8	-61.5	155.6	126.9	0	0	113.5
333	N	28.3	Very low	35.2	Very low	171 Å²	171	131.3 Å²	131.3	91%	0.914	69%	0.688	S	S	*	*			trans	-152.7	105.2	147.9	-124.1	-40.6	0	0	0	110.9
334	D	31.1	Very low	36.8	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	68%	0.684	S	S	*	*			trans	-91.8	119.3	-177.9	-167.4	1.2	0	0	0	109.7
335	S	32.1	Very low	38.4	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	66%	0.66	S	S	*	*			trans	174.7	68.1	161.9	-86	0	0	0	0	114.3
336	R	34.3	Very low	40	Very low	226 Å²	226	124.3 Å²	124.3	85%	0.853	64%	0.643	S	S	*	*			trans	-174.7	118.5	143.6	-111.7	161.5	-87.1	-161.5	-6.6	110.2	S338	R336-S338 PolarHBondContact O-N 3.33Å
337	D	37.3	Very low	41.6	Very low	158 Å²	158	124.2 Å²	124.2	85%	0.845	64%	0.64	S	S	*	*			trans	-78	62.1	178.5	-148	-17.9	0	0	0	110.7	K339	D337-K339 PolarHBondContact O-N 3.01Å
338	S	41.9	Very low	43.3	Very low	48 Å²	48	121.6 Å²	121.6	34%	0.336	63%	0.626	S	S	.	*			trans	-66.9	67.1	172.5	-74.2	0	0	0	0	109.4	R336 A340	R336-S338 PolarHBondContact O-N 3.33Å; S338-A340 WeakPolarHBondContact O-CA 3.39Å; S338-A340 PolarHBondContact O-N 2.96Å
339	K	49.4	Very low	44.9	Very low	170 Å²	170	118.2 Å²	118.2	74%	0.739	62%	0.616	S	S	*	*			trans	-37.7	99.7	-158.5	-167	166.4	-167.8	159.4	0	113	D337	D337-K339 PolarHBondContact O-N 3.01Å
340	A	54.8	Low	46.6	Very low	57 Å²	57	111.4 Å²	111.4	47%	0.471	58%	0.58	S	S	.	*			trans	-79.6	138.1	-150.9	0	0	0	0	0	112	S338 P342 V349	S338-A340 WeakPolarHBondContact O-CA 3.39Å; S338-A340 PolarHBondContact O-N 2.96Å; A340-P342 WeakPolarHBondContact O-CD 3.14Å; A340-V349 HydrophobicContact CB-CG1 3.24Å
341	M	55.3	Low	47.9	Very low	67 Å²	67	112.7 Å²	112.7	33%	0.33	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	96.2	-168.1	-64.9	-66.4	-68.4	0	0	109.7	C343 L350 P352 I395	M341-C343 PolarHBondContact O-N 3.47Å; M341-L350 HydrophobicContact CB-CB 4.48Å; M341-L350 PolarHBondContact N-O 3.28Å; M341-L350 WeakPolarHBondContact O-CB 3.44Å; M341-L350 PolarHBondContact O-N 3.16Å; M341-P352 HydrophobicContact CG-CB 4.42Å; M341-I395 HydrophobicContact CE-CD1 3.63Å; M341-I395 HydrophobicContact CE-CG1 3.72Å
342	P	50	Low	49.4	Very low	75 Å²	75	107 Å²	107	49%	0.487	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.7	127.9	177.2	27.9	-34.8	0	0	0	110.7	A340 Q344	A340-P342 WeakPolarHBondContact O-CD 3.14Å; P342-Q344 PolarHBondContact O-N 2.8Å
343	C	57.5	Low	50.6	Low	0 Å²	0	102.5 Å²	102.5	0%	0	54%	0.536	C	S	.	.			trans	-64.6	114.7	168.4	176.5	0	0	0	0	109.6	M341 V345 C346 K347 K348 L350 H360	M341-C343 PolarHBondContact O-N 3.47Å; C343-V345 PolarHBondContact O-N 2.88Å; C343-C346 PolarHBondContact O-N 2.99Å; C343-K347 WeakPolarHBondContact O-CA 3.29Å; C343-K347 PolarHBondContact O-N 2.76Å; C343-K348 WeakPolarHBondContact CB-O 3.25Å; C343-K348 PolarHBondContact N-O 3.38Å; C343-L350 HydrophobicContact CB-CD1 4.42Å; C343-H360 WeakPolarHBondContact CB-NE2 3.33Å; C343-H360 VanDerWaalsContact SG-CD2 3.59Å; C343-H360 PolarHBondContact SG-NE2 3.45Å
344	Q	56.3	Low	51.8	Low	150 Å²	150	97.9 Å²	97.9	70%	0.701	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.4	-176.2	-166.2	63.2	12.4	0	0	113.7	P342	P342-Q344 PolarHBondContact O-N 2.8Å
345	V	57.3	Low	53	Low	51 Å²	51	96.4 Å²	96.4	31%	0.309	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-55.2	-179.8	178.4	0	0	0	0	112.4	C343 V374 H392	C343-V345 PolarHBondContact O-N 2.88Å; V345-V374 HydrophobicContact CG1-CB 4.47Å; V345-V374 HydrophobicContact CG1-CG1 3.99Å; V345-V374 HydrophobicContact CG1-CG2 3.66Å; V345-V374 HydrophobicContact CG2-CG1 4.05Å; V345-V374 HydrophobicContact CG2-CG2 4.13Å; V345-H392 HydrophobicContact CG2-CB 3.94Å
346	C	61.5	Low	54.2	Low	59 Å²	59	95 Å²	95	40%	0.399	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	7.5	-175.2	70.8	0	0	0	0	114.7	C343 K348 H360 H364	C343-C346 PolarHBondContact O-N 2.99Å; C346-K348 PolarHBondContact O-N 2.79Å; C346-H360 PolarHBondContact SG-CE1 2.95Å; C346-H360 PolarHBondContact SG-NE2 3.41Å; C346-H364 PolarHBondContact SG-CE1 2.66Å
347	K	61.5	Low	55.4	Low	176 Å²	176	84.9 Å²	84.9	77%	0.765	45%	0.445	S	S	*	.			trans	61.9	2.1	178.8	-54.6	175.8	-175.4	173	0	115.7	C343 V349	C343-K347 WeakPolarHBondContact O-CA 3.29Å; C343-K347 PolarHBondContact O-N 2.76Å; K347-V349 PolarHBondContact O-N 2.71Å
348	K	64.5	Low	56.5	Low	127 Å²	127	81.2 Å²	81.2	55%	0.552	42%	0.42	S	S	*	.			trans	-58.8	125	172.1	-173.5	168.8	-175.4	171.1	0	109.7	C343 C346 L350	C343-K348 WeakPolarHBondContact CB-O 3.25Å; C343-K348 PolarHBondContact N-O 3.38Å; C346-K348 PolarHBondContact O-N 2.79Å; K348-L350 HydrophobicContact CG-CD2 4.35Å
349	V	61.8	Low	57.6	Low	91 Å²	91	84 Å²	84	55%	0.552	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.2	178.2	177.1	0	0	0	0	109.1	A340 K347	A340-V349 HydrophobicContact CB-CG1 3.24Å; K347-V349 PolarHBondContact O-N 2.71Å
350	L	60.9	Low	58.3	Low	16 Å²	16	76.5 Å²	76.5	8%	0.084	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.9	-178.1	-51.3	175.2	0	0	0	110.5	M341 C343 K348 I357 H360	M341-L350 HydrophobicContact CB-CB 4.48Å; M341-L350 PolarHBondContact N-O 3.28Å; M341-L350 WeakPolarHBondContact O-CB 3.44Å; M341-L350 PolarHBondContact O-N 3.16Å; C343-L350 HydrophobicContact CB-CD1 4.42Å; K348-L350 HydrophobicContact CG-CD2 4.35Å; L350-I357 HydrophobicContact CB-CG1 4.36Å; L350-I357 HydrophobicContact CD1-CG1 4.05Å; L350-H360 HydrophobicContact CD1-CB 3.99Å; L350-H360 HydrophobicContact CD2-CB 3.85Å
351	E	56	Low	58.7	Low	110 Å²	110	73.8 Å²	73.8	51%	0.514	37%	0.372	S	S	.	.			trans	-66.5	152.9	165	-64.6	-166.3	126.2	0	0	111.2	N353	E351-N353 PolarHBondContact O-N 3.44Å
352	P	53.9	Low	59.3	Low	79 Å²	79	74.4 Å²	74.4	51%	0.513	37%	0.371	S	S	.	.	S	Bend	trans	-73.1	42.7	-179.6	31.1	-36.7	0	0	0	114.2	M341	M341-P352 HydrophobicContact CG-CB 4.42Å
353	N	55.9	Low	60	Low	71 Å²	71	74.5 Å²	74.5	38%	0.38	37%	0.368	S	S	.	.			trans	-104.2	117.2	177.6	-180	-34.1	0	0	0	110.4	E351 Q355 L356 I357	E351-N353 PolarHBondContact O-N 3.44Å; N353-Q355 PolarHBondContact O-N 2.75Å; N353-Q355 VanDerWaalsContact O-N 3.12Å; N353-Q355 PolarHBondContact OD1-N 3.24Å; N353-L356 HydrophobicContact CB-CB 4.14Å; N353-L356 HydrophobicContact CB-CD1 3.96Å; N353-L356 HydrophobicContact CB-CG 3.97Å; N353-L356 PolarHBondContact O-N 3.19Å; N353-L356 VanDerWaalsContact O-N 3.13Å; N353-L356 PolarHBondContact OD1-N 2.93Å; N353-I357 WeakPolarHBondContact O-CB 3.48Å; N353-I357 WeakPolarHBondContact O-CG1 3.46Å; N353-I357 PolarHBondContact O-N 2.92Å
354	I	54.1	Low	60.3	Low	73 Å²	73	75.5 Å²	75.5	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-58.1	-29	-175.4	-164.2	172.6	0	0	0	113.9	R358 L397	I354-R358 VanDerWaalsContact O-CB 3.25Å; I354-R358 WeakPolarHBondContact O-CB 3.4Å; I354-R358 WeakPolarHBondContact O-CD 3.34Å; I354-R358 WeakPolarHBondContact O-CG 3.46Å; I354-R358 PolarHBondContact O-N 2.72Å; I354-L397 HydrophobicContact CD1-CD1 4.22Å; I354-L397 HydrophobicContact CD1-CD2 3.83Å; I354-L397 HydrophobicContact CG1-CD2 4.35Å
355	Q	55.6	Low	60.7	Low	116 Å²	116	68.6 Å²	68.6	54%	0.542	34%	0.34	S	S	.	.	H	α-helix	trans	-79.8	-38.6	179	-54.3	-63	8.7	0	0	111.7	N353 R358 Q359	N353-Q355 PolarHBondContact O-N 2.75Å; N353-Q355 VanDerWaalsContact O-N 3.12Å; N353-Q355 PolarHBondContact OD1-N 3.24Å; Q355-R358 CarbonylContact O-C 3.58Å; Q355-R358 PolarHBondContact O-N 2.11Å; Q355-Q359 VanDerWaalsContact O-CB 3.32Å; Q355-Q359 WeakPolarHBondContact O-CB 3.4Å; Q355-Q359 PolarHBondContact O-N 3.34Å
356	L	59.1	Low	60.9	Low	75 Å²	75	68.2 Å²	68.2	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-39.9	172.5	-61.5	-176.8	0	0	0	111.2	N353 Q359 H360	N353-L356 HydrophobicContact CB-CB 4.14Å; N353-L356 HydrophobicContact CB-CD1 3.96Å; N353-L356 HydrophobicContact CB-CG 3.97Å; N353-L356 PolarHBondContact O-N 3.19Å; N353-L356 VanDerWaalsContact O-N 3.13Å; N353-L356 PolarHBondContact OD1-N 2.93Å; L356-Q359 WeakPolarHBondContact O-CA 3.27Å; L356-Q359 WeakPolarHBondContact O-CB 3.49Å; L356-Q359 PolarHBondContact O-N 2.84Å; L356-Q359 VanDerWaalsContact O-N 3.08Å; L356-H360 PolarHBondContact O-N 2.8Å
357	I	58.8	Low	60.8	Low	13 Å²	13	70 Å²	70	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-44.3	173.9	-68.1	163.4	0	0	0	110.9	L350 N353 Q359 H360 A361 L390 I395	L350-I357 HydrophobicContact CB-CG1 4.36Å; L350-I357 HydrophobicContact CD1-CG1 4.05Å; N353-I357 WeakPolarHBondContact O-CB 3.48Å; N353-I357 WeakPolarHBondContact O-CG1 3.46Å; N353-I357 PolarHBondContact O-N 2.92Å; I357-Q359 PolarHBondContact O-N 3.5Å; I357-H360 PolarHBondContact O-N 3.22Å; I357-A361 WeakPolarHBondContact O-CB 3.3Å; I357-A361 PolarHBondContact O-N 2.8Å; I357-L390 HydrophobicContact CG2-CD2 3.59Å; I357-I395 HydrophobicContact CD1-CD1 4.05Å; I357-I395 HydrophobicContact CG1-CD1 4.48Å; I357-I395 HydrophobicContact CG2-CD1 3.88Å
358	R	59.3	Low	60.6	Low	82 Å²	82	69.7 Å²	69.7	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-66.5	-19.9	171.3	-79.2	168.9	177.2	-176.3	0.3	113.8	I354 Q355 R362 V386 L390	I354-R358 VanDerWaalsContact O-CB 3.25Å; I354-R358 WeakPolarHBondContact O-CB 3.4Å; I354-R358 WeakPolarHBondContact O-CD 3.34Å; I354-R358 WeakPolarHBondContact O-CG 3.46Å; I354-R358 PolarHBondContact O-N 2.72Å; Q355-R358 CarbonylContact O-C 3.58Å; Q355-R358 PolarHBondContact O-N 2.11Å; R358-R362 PolarHBondContact O-NH1 3.06Å; R358-V386 HydrophobicContact CB-CG1 4.45Å; R358-V386 HydrophobicContact CG-CG1 4.45Å; R358-L390 HydrophobicContact CG-CD1 3.92Å
359	Q	65	Low	60.4	Low	107 Å²	107	66.9 Å²	66.9	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-80.6	-48.9	174.2	-178.3	149.3	-30.9	0	0	110.9	Q355 L356 I357 A361 R362	Q355-Q359 VanDerWaalsContact O-CB 3.32Å; Q355-Q359 WeakPolarHBondContact O-CB 3.4Å; Q355-Q359 PolarHBondContact O-N 3.34Å; L356-Q359 WeakPolarHBondContact O-CA 3.27Å; L356-Q359 WeakPolarHBondContact O-CB 3.49Å; L356-Q359 PolarHBondContact O-N 2.84Å; L356-Q359 VanDerWaalsContact O-N 3.08Å; I357-Q359 PolarHBondContact O-N 3.5Å; Q359-A361 PolarHBondContact O-N 3.05Å; Q359-R362 VanDerWaalsContact CA-CZ 3.46Å; Q359-R362 WeakPolarHBondContact O-CA 3.45Å; Q359-R362 VanDerWaalsContact O-CB 3.29Å; Q359-R362 WeakPolarHBondContact O-CB 3.43Å; Q359-R362 PolarHBondContact O-N 3.16Å; Q359-R362 VanDerWaalsContact OE1-NH2 3.12Å
360	H	65.6	Low	60.3	Low	11 Å²	11	62.6 Å²	62.6	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-34.4	174.4	-171.7	54	0	0	0	112.9	C343 C346 L350 L356 I357 R362 D363 H364	C343-H360 WeakPolarHBondContact CB-NE2 3.33Å; C343-H360 VanDerWaalsContact SG-CD2 3.59Å; C343-H360 PolarHBondContact SG-NE2 3.45Å; C346-H360 PolarHBondContact SG-CE1 2.95Å; C346-H360 PolarHBondContact SG-NE2 3.41Å; L350-H360 HydrophobicContact CD1-CB 3.99Å; L350-H360 HydrophobicContact CD2-CB 3.85Å; L356-H360 PolarHBondContact O-N 2.8Å; I357-H360 PolarHBondContact O-N 3.22Å; H360-R362 PolarHBondContact O-N 3.28Å; H360-R362 VanDerWaalsContact O-N 3.09Å; H360-D363 WeakPolarHBondContact CA-OD2 3.47Å; H360-D363 IonicContact CE1-OD2 3.05Å; H360-D363 IonicContact CG-OD2 2.91Å; H360-D363 IonicContact ND1-OD2 2.66Å; H360-D363 PolarHBondContact ND1-OD2 2.5Å; H360-D363 WeakPolarHBondContact O-CB 3.49Å; H360-D363 PolarHBondContact O-N 2.85Å; H360-H364 AromaticContact CD2-NE2 3.72Å; H360-H364 AromaticContact CE1-NE2 3.26Å; H360-H364 PolarHBondContact CE1-NE2 3.14Å; H360-H364 VanDerWaalsContact CE1-NE2 3.26Å; H360-H364 AromaticContact NE2-CD2 3.81Å; H360-H364 AromaticContact NE2-CE1 3.97Å; H360-H364 AromaticContact NE2-NE2 2.95Å; H360-H364 PolarHBondContact NE2-NE2 3.15Å; H360-H364 PolarHBondContact O-CD2 2.79Å
361	A	62.9	Low	60.1	Low	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-6.1	171	0	0	0	0	0	114.6	I357 Q359 V365 V386 V389 L390 I393	I357-A361 WeakPolarHBondContact O-CB 3.3Å; I357-A361 PolarHBondContact O-N 2.8Å; Q359-A361 PolarHBondContact O-N 3.05Å; A361-V365 WeakPolarHBondContact O-CG2 3.23Å; A361-V386 HydrophobicContact CB-CG1 3.95Å; A361-V389 HydrophobicContact CB-CB 4.36Å; A361-V389 HydrophobicContact CB-CG1 3.84Å; A361-V389 WeakPolarHBondContact O-CG1 3.37Å; A361-L390 HydrophobicContact CB-CD2 3.74Å; A361-L390 HydrophobicContact CB-CG 3.88Å; A361-I393 HydrophobicContact CB-CD1 3.82Å
362	R	66.9	Low	60.3	Low	80 Å²	80	58.8 Å²	58.8	30%	0.302	30%	0.299	S	S	.	.	H	α-helix	trans	-92.1	-23.1	168.8	-63.4	-176.4	-65.5	-99.6	17.8	112.6	R358 Q359 H360 H364 V365 V386	R358-R362 PolarHBondContact O-NH1 3.06Å; Q359-R362 VanDerWaalsContact CA-CZ 3.46Å; Q359-R362 WeakPolarHBondContact O-CA 3.45Å; Q359-R362 VanDerWaalsContact O-CB 3.29Å; Q359-R362 WeakPolarHBondContact O-CB 3.43Å; Q359-R362 PolarHBondContact O-N 3.16Å; Q359-R362 VanDerWaalsContact OE1-NH2 3.12Å; H360-R362 PolarHBondContact O-N 3.28Å; H360-R362 VanDerWaalsContact O-N 3.09Å; R362-H364 PolarHBondContact O-N 2.93Å; R362-V365 PolarHBondContact O-N 3.11Å; R362-V365 VanDerWaalsContact O-N 3.08Å; R362-V386 HydrophobicContact CG-CG2 3.61Å
363	D	66.6	Low	60.5	Low	78 Å²	78	61 Å²	61	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-35.4	178.3	-52.6	-19.9	0	0	0	110.5	H360 V365 K373	H360-D363 WeakPolarHBondContact CA-OD2 3.47Å; H360-D363 IonicContact CE1-OD2 3.05Å; H360-D363 IonicContact CG-OD2 2.91Å; H360-D363 IonicContact ND1-OD2 2.66Å; H360-D363 PolarHBondContact ND1-OD2 2.5Å; H360-D363 WeakPolarHBondContact O-CB 3.49Å; H360-D363 PolarHBondContact O-N 2.85Å; D363-V365 PolarHBondContact O-N 2.69Å; D363-K373 WeakPolarHBondContact O-CD 3.32Å; D363-K373 WeakPolarHBondContact O-CE 3.44Å; D363-K373 PolarHBondContact O-NZ 3.21Å
364	H	62.8	Low	60.6	Low	21 Å²	21	60.3 Å²	60.3	10%	0.097	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	15.2	174.8	-53.9	-60.2	0	0	0	114.1	C346 H360 R362 K373 V374 V389	C346-H364 PolarHBondContact SG-CE1 2.66Å; H360-H364 AromaticContact CD2-NE2 3.72Å; H360-H364 AromaticContact CE1-NE2 3.26Å; H360-H364 PolarHBondContact CE1-NE2 3.14Å; H360-H364 VanDerWaalsContact CE1-NE2 3.26Å; H360-H364 AromaticContact NE2-CD2 3.81Å; H360-H364 AromaticContact NE2-CE1 3.97Å; H360-H364 AromaticContact NE2-NE2 2.95Å; H360-H364 PolarHBondContact NE2-NE2 3.15Å; H360-H364 PolarHBondContact O-CD2 2.79Å; R362-H364 PolarHBondContact O-N 2.93Å; H364-K373 PolarHBondContact O-N 3.12Å; H364-V374 HydrophobicContact CB-CG2 3.86Å; H364-V389 HydrophobicContact CB-CG1 3.88Å; H364-V389 HydrophobicContact CB-CG2 4.49Å
365	V	64.6	Low	60.7	Low	4 Å²	4	59.4 Å²	59.4	2%	0.024	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-115.5	129.5	168.8	180	0	0	0	0	107.1	A361 R362 D363 L367 N371 K373 R385 V389	A361-V365 WeakPolarHBondContact O-CG2 3.23Å; R362-V365 PolarHBondContact O-N 3.11Å; R362-V365 VanDerWaalsContact O-N 3.08Å; D363-V365 PolarHBondContact O-N 2.69Å; V365-L367 HydrophobicContact CG1-CD2 4.28Å; V365-L367 PolarHBondContact O-N 3.21Å; V365-N371 CarbonylContact C-O 3.57Å; V365-K373 WeakPolarHBondContact O-CE 3.48Å; V365-R385 HydrophobicContact CG1-CB 4.06Å; V365-R385 HydrophobicContact CG1-CG 4.18Å; V365-R385 HydrophobicContact CG2-CB 4.03Å; V365-V389 HydrophobicContact CG2-CG2 3.74Å
366	D	61	Low	60.6	Low	44 Å²	44	61.4 Å²	61.4	24%	0.235	31%	0.307	C	S	.	.			trans	-75.3	120.3	165	179.6	18.1	0	0	0	108.6	L368 T369 G370 N371 K373	D366-L368 PolarHBondContact OD1-N 2.77Å; D366-L368 VanDerWaalsContact OD1-N 3.1Å; D366-T369 WeakPolarHBondContact CB-OG1 3.38Å; D366-T369 VanDerWaalsContact CG-OG1 3.27Å; D366-T369 VanDerWaalsContact OD2-CB 3.31Å; D366-T369 WeakPolarHBondContact OD2-CB 3.45Å; D366-T369 WeakPolarHBondContact OD2-CG2 3.34Å; D366-T369 PolarHBondContact OD2-N 3.46Å; D366-T369 PolarHBondContact OD2-OG1 3.05Å; D366-G370 CarbonylContact O-C 3.58Å; D366-G370 WeakPolarHBondContact O-CA 3.47Å; D366-G370 PolarHBondContact O-N 3.37Å; D366-N371 PolarHBondContact N-O 2.92Å; D366-K373 HydrophobicContact CB-CG 4.18Å
367	L	59.9	Low	60	Low	97 Å²	97	60.5 Å²	60.5	51%	0.508	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.1	-174.3	-63.4	176.4	0	0	0	112.4	V365	V365-L367 HydrophobicContact CG1-CD2 4.28Å; V365-L367 PolarHBondContact O-N 3.21Å
368	L	56.6	Low	59.7	Low	168 Å²	168	65 Å²	65	88%	0.88	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-55.6	176.5	-72	168.2	0	0	0	111.3	D366	D366-L368 PolarHBondContact OD1-N 2.77Å; D366-L368 VanDerWaalsContact OD1-N 3.1Å
369	T	61.2	Low	59.3	Low	68 Å²	68	63.5 Å²	63.5	42%	0.417	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-30.9	176.8	60.1	0	0	0	0	113	D366 N371 H378	D366-T369 WeakPolarHBondContact CB-OG1 3.38Å; D366-T369 VanDerWaalsContact CG-OG1 3.27Å; D366-T369 VanDerWaalsContact OD2-CB 3.31Å; D366-T369 WeakPolarHBondContact OD2-CB 3.45Å; D366-T369 WeakPolarHBondContact OD2-CG2 3.34Å; D366-T369 PolarHBondContact OD2-N 3.46Å; D366-T369 PolarHBondContact OD2-OG1 3.05Å; T369-N371 WeakPolarHBondContact OG1-CB 3.33Å; T369-N371 VanDerWaalsContact OG1-CG 3.3Å; T369-N371 PolarHBondContact OG1-N 2.86Å; T369-H378 PolarHBondContact O-CD2 2.88Å; T369-H378 PolarHBondContact O-NE2 3.31Å
370	G	59	Low	58.5	Low	1 Å²	1	66.4 Å²	66.4	1%	0.01	34%	0.335	C	S	.	.			trans	87.4	7.9	-170.7	0	0	0	0	0	115	D366 F379 R385	D366-G370 CarbonylContact O-C 3.58Å; D366-G370 WeakPolarHBondContact O-CA 3.47Å; D366-G370 PolarHBondContact O-N 3.37Å; G370-F379 PolarHBondContact O-N 3.1Å; G370-R385 VanDerWaalsContact CA-NH1 3.28Å
371	N	56.5	Low	57.7	Low	45 Å²	45	71 Å²	71	24%	0.241	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-81.8	152.3	-178.1	-61.1	-0.8	0	0	0	112.3	V365 D366 T369 T377 H378	V365-N371 CarbonylContact C-O 3.57Å; D366-N371 PolarHBondContact N-O 2.92Å; T369-N371 WeakPolarHBondContact OG1-CB 3.33Å; T369-N371 VanDerWaalsContact OG1-CG 3.3Å; T369-N371 PolarHBondContact OG1-N 2.86Å; N371-T377 CarbonylContact C-O 3.39Å; N371-T377 WeakPolarHBondContact CA-O 3.01Å; N371-H378 VanDerWaalsContact OD1-CA 3.3Å; N371-H378 WeakPolarHBondContact OD1-CA 3.5Å; N371-H378 WeakPolarHBondContact OD1-CB 3.31Å; N371-H378 PolarHBondContact OD1-CD2 3.02Å; N371-H378 VanDerWaalsContact OD1-CD2 3.27Å
372	C	61.2	Low	57.3	Low	2 Å²	2	77 Å²	77	1%	0.014	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-74.6	125.6	164	179.1	0	0	0	0	110	V374 C375 E376 T377 F379 V389	C372-V374 PolarHBondContact O-N 3.25Å; C372-V374 VanDerWaalsContact O-N 3.12Å; C372-V374 PolarHBondContact SG-N 3.07Å; C372-C375 PolarHBondContact O-N 2.98Å; C372-C375 VanDerWaalsContact SG-SG 3.69Å; C372-E376 WeakPolarHBondContact O-CA 3.42Å; C372-E376 PolarHBondContact O-N 2.78Å; C372-T377 PolarHBondContact N-O 2.84Å; C372-F379 HydrophobicContact CB-CE2 4.27Å; C372-V389 HydrophobicContact CB-CG2 4.48Å; C372-V389 VanDerWaalsContact SG-CG2 3.6Å
373	K	57.8	Low	56.5	Low	125 Å²	125	79.6 Å²	79.6	54%	0.543	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.5	178.7	-61	-178.2	-173.2	161.5	0	114.3	D363 H364 V365 D366	D363-K373 WeakPolarHBondContact O-CD 3.32Å; D363-K373 WeakPolarHBondContact O-CE 3.44Å; D363-K373 PolarHBondContact O-NZ 3.21Å; H364-K373 PolarHBondContact O-N 3.12Å; V365-K373 WeakPolarHBondContact O-CE 3.48Å; D366-K373 HydrophobicContact CB-CG 4.18Å
374	V	59.3	Low	55.8	Low	57 Å²	57	78.3 Å²	78.3	35%	0.345	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-25.7	-176.3	-163.8	0	0	0	0	112.3	V345 H364 C372	V345-V374 HydrophobicContact CG1-CB 4.47Å; V345-V374 HydrophobicContact CG1-CG1 3.99Å; V345-V374 HydrophobicContact CG1-CG2 3.66Å; V345-V374 HydrophobicContact CG2-CG1 4.05Å; V345-V374 HydrophobicContact CG2-CG2 4.13Å; H364-V374 HydrophobicContact CB-CG2 3.86Å; C372-V374 PolarHBondContact O-N 3.25Å; C372-V374 VanDerWaalsContact O-N 3.12Å; C372-V374 PolarHBondContact SG-N 3.07Å
375	C	54.8	Low	55.6	Low	53 Å²	53	79.2 Å²	79.2	36%	0.358	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	13.8	-175.4	60.1	0	0	0	0	113.6	C372 T377 H388	C372-C375 PolarHBondContact O-N 2.98Å; C372-C375 VanDerWaalsContact SG-SG 3.69Å; C375-T377 PolarHBondContact O-N 3.29Å; C375-T377 PolarHBondContact SG-OG1 3.11Å; C375-H388 PolarHBondContact SG-NE2 3.4Å
376	E	54.6	Low	55.1	Low	158 Å²	158	79.9 Å²	79.9	74%	0.738	41%	0.406	S	S	*	.			trans	56.6	3.9	175.1	-57.4	-173.9	165.4	0	0	116.9	C372 H378	C372-E376 WeakPolarHBondContact O-CA 3.42Å; C372-E376 PolarHBondContact O-N 2.78Å; E376-H378 PolarHBondContact O-N 3.33Å
377	T	46	Very low	54.7	Low	56 Å²	56	81.7 Å²	81.7	34%	0.344	42%	0.419	S	S	.	.			trans	-61.8	117.8	179	47.6	0	0	0	0	112.3	N371 C372 C375 F379	N371-T377 CarbonylContact C-O 3.39Å; N371-T377 WeakPolarHBondContact CA-O 3.01Å; C372-T377 PolarHBondContact N-O 2.84Å; C375-T377 PolarHBondContact O-N 3.29Å; C375-T377 PolarHBondContact SG-OG1 3.11Å; T377-F379 VanDerWaalsContact O-CD2 3.25Å; T377-F379 WeakPolarHBondContact O-CD2 3.47Å; T377-F379 WeakPolarHBondContact O-CE2 3.21Å; T377-F379 WeakPolarHBondContact OG1-CE2 3.46Å; T377-F379 WeakPolarHBondContact OG1-CZ 3.22Å
378	H	51.3	Low	54.4	Low	109 Å²	109	79.5 Å²	79.5	51%	0.505	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-74.1	131	173.3	178.2	-82.9	0	0	0	111.4	T369 N371 E376	T369-H378 PolarHBondContact O-CD2 2.88Å; T369-H378 PolarHBondContact O-NE2 3.31Å; N371-H378 VanDerWaalsContact OD1-CA 3.3Å; N371-H378 WeakPolarHBondContact OD1-CA 3.5Å; N371-H378 WeakPolarHBondContact OD1-CB 3.31Å; N371-H378 PolarHBondContact OD1-CD2 3.02Å; N371-H378 VanDerWaalsContact OD1-CD2 3.27Å; E376-H378 PolarHBondContact O-N 3.33Å
379	F	52	Low	54.2	Low	50 Å²	50	71.5 Å²	71.5	22%	0.219	36%	0.364	C	S	.	.			trans	-128.4	135.9	171.7	-56.8	-92.4	0	0	0	111.4	G370 C372 T377 R385 H388	G370-F379 PolarHBondContact O-N 3.1Å; C372-F379 HydrophobicContact CB-CE2 4.27Å; T377-F379 VanDerWaalsContact O-CD2 3.25Å; T377-F379 WeakPolarHBondContact O-CD2 3.47Å; T377-F379 WeakPolarHBondContact O-CE2 3.21Å; T377-F379 WeakPolarHBondContact OG1-CE2 3.46Å; T377-F379 WeakPolarHBondContact OG1-CZ 3.22Å; F379-R385 HydrophobicContact CB-CG 3.58Å; F379-R385 HydrophobicContact CD2-CG 4.01Å; F379-R385 HydrophobicContact CG-CG 4.12Å; F379-R385 PolarHBondContact O-NE 2.83Å; F379-R385 PolarHBondContact O-NH2 3.14Å; F379-H388 HydrophobicContact CE1-CB 4.36Å; F379-H388 HydrophobicContact CE2-CB 4.24Å; F379-H388 AromaticContact CE2-CD2 3.56Å; F379-H388 AromaticContact CE2-CG 3.91Å; F379-H388 HydrophobicContact CZ-CB 3.83Å; F379-H388 AromaticContact CZ-CD2 3.45Å; F379-H388 VanDerWaalsContact CZ-CD2 3.45Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.35Å; F379-H388 AromaticContact CZ-CG 3.41Å; F379-H388 VanDerWaalsContact CZ-CG 3.41Å; F379-H388 AromaticContact CZ-ND1 3.83Å; F379-H388 AromaticContact CZ-NE2 3.9Å
380	Q	47.3	Very low	53.9	Low	167 Å²	167	69 Å²	69	78%	0.78	35%	0.348	S	S	*	.	S	Bend	trans	-69.5	-45.3	175.9	-66.6	175.6	1.4	0	0	111.3	R385	Q380-R385 PolarHBondContact O-NH2 3Å
381	D	50.5	Low	53.6	Low	109 Å²	109	71.9 Å²	71.9	58%	0.583	37%	0.368	S	S	*	.			trans	-85.2	129.7	-176	-72	-56.8	0	0	0	116	N383 S384 R385	D381-N383 PolarHBondContact O-N 3.12Å; D381-S384 WeakPolarHBondContact CB-OG 3.36Å; D381-S384 PolarHBondContact O-N 3.23Å; D381-R385 WeakPolarHBondContact O-CG 3.31Å; D381-R385 PolarHBondContact O-N 3.29Å; D381-R385 VanDerWaalsContact O-N 3.13Å
382	R	52.7	Low	53.2	Low	125 Å²	125	72.7 Å²	72.7	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-32.9	-177.4	-160.8	-179.7	-167.7	-163.7	5.8	114
383	N	50.8	Low	52.8	Low	135 Å²	135	73 Å²	73	72%	0.722	37%	0.372	S	S	*	.	H	α-helix	trans	-73.4	-42.7	177.8	-72.6	0.5	0	0	0	110.9	D381 R385 V386 T387	D381-N383 PolarHBondContact O-N 3.12Å; N383-R385 VanDerWaalsContact C-N 3.33Å; N383-R385 PolarHBondContact O-N 3.38Å; N383-V386 PolarHBondContact O-N 3.39Å; N383-V386 VanDerWaalsContact O-N 3.1Å; N383-T387 PolarHBondContact O-N 3.28Å; N383-T387 PolarHBondContact O-OG1 3.2Å
384	S	52.6	Low	52.4	Low	51 Å²	51	69.1 Å²	69.1	36%	0.357	37%	0.367	S	S	.	.	H	α-helix	trans	-58.7	-41.5	177.3	-51.6	0	0	0	0	112.1	D381 V386 T387 H388	D381-S384 WeakPolarHBondContact CB-OG 3.36Å; D381-S384 PolarHBondContact O-N 3.23Å; S384-V386 PolarHBondContact O-N 3.31Å; S384-T387 WeakPolarHBondContact CA-OG1 3.47Å; S384-T387 PolarHBondContact O-N 3.33Å; S384-T387 PolarHBondContact O-OG1 2.82Å; S384-T387 VanDerWaalsContact O-OG1 3.08Å; S384-H388 VanDerWaalsContact O-CB 3.28Å; S384-H388 WeakPolarHBondContact O-CB 3.49Å; S384-H388 PolarHBondContact O-N 2.66Å
385	R	57.1	Low	52	Low	39 Å²	39	67.9 Å²	67.9	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-51.4	-52.3	170.7	-67.5	171.7	-151.9	-174.1	2.4	111.9	V365 G370 F379 Q380 D381 N383 H388 V389	V365-R385 HydrophobicContact CG1-CB 4.06Å; V365-R385 HydrophobicContact CG1-CG 4.18Å; V365-R385 HydrophobicContact CG2-CB 4.03Å; G370-R385 VanDerWaalsContact CA-NH1 3.28Å; F379-R385 HydrophobicContact CB-CG 3.58Å; F379-R385 HydrophobicContact CD2-CG 4.01Å; F379-R385 HydrophobicContact CG-CG 4.12Å; F379-R385 PolarHBondContact O-NE 2.83Å; F379-R385 PolarHBondContact O-NH2 3.14Å; Q380-R385 PolarHBondContact O-NH2 3Å; D381-R385 WeakPolarHBondContact O-CG 3.31Å; D381-R385 PolarHBondContact O-N 3.29Å; D381-R385 VanDerWaalsContact O-N 3.13Å; N383-R385 VanDerWaalsContact C-N 3.33Å; N383-R385 PolarHBondContact O-N 3.38Å; R385-H388 PolarHBondContact O-N 3.04Å; R385-V389 WeakPolarHBondContact O-CG2 3.11Å; R385-V389 PolarHBondContact O-N 3.18Å
386	V	54.6	Low	51.7	Low	18 Å²	18	71.2 Å²	71.2	11%	0.109	37%	0.367	C	S	.	.	H	α-helix	trans	-70.4	-42.4	-175	177.2	0	0	0	0	111.3	R358 A361 R362 N383 S384 H388 V389 L390	R358-V386 HydrophobicContact CB-CG1 4.45Å; R358-V386 HydrophobicContact CG-CG1 4.45Å; A361-V386 HydrophobicContact CB-CG1 3.95Å; R362-V386 HydrophobicContact CG-CG2 3.61Å; N383-V386 PolarHBondContact O-N 3.39Å; N383-V386 VanDerWaalsContact O-N 3.1Å; S384-V386 PolarHBondContact O-N 3.31Å; V386-H388 VanDerWaalsContact C-N 3.31Å; V386-H388 PolarHBondContact O-N 3.19Å; V386-V389 PolarHBondContact O-N 3.05Å; V386-L390 HydrophobicContact CG1-CD1 4.22Å; V386-L390 VanDerWaalsContact O-CG 3.27Å; V386-L390 WeakPolarHBondContact O-CG 3.41Å; V386-L390 PolarHBondContact O-N 2.99Å
387	T	53.6	Low	51.2	Low	82 Å²	82	66.7 Å²	66.7	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-32.8	175.3	48.6	0	0	0	0	112.7	N383 S384 S391	N383-T387 PolarHBondContact O-N 3.28Å; N383-T387 PolarHBondContact O-OG1 3.2Å; S384-T387 WeakPolarHBondContact CA-OG1 3.47Å; S384-T387 PolarHBondContact O-N 3.33Å; S384-T387 PolarHBondContact O-OG1 2.82Å; S384-T387 VanDerWaalsContact O-OG1 3.08Å; T387-S391 PolarHBondContact O-N 2.64Å
388	H	53.2	Low	51	Low	51 Å²	51	67.5 Å²	67.5	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-50.3	171.9	176.6	73.2	0	0	0	111.2	C375 F379 S384 R385 V386 L390 S391 H392	C375-H388 PolarHBondContact SG-NE2 3.4Å; F379-H388 HydrophobicContact CE1-CB 4.36Å; F379-H388 HydrophobicContact CE2-CB 4.24Å; F379-H388 AromaticContact CE2-CD2 3.56Å; F379-H388 AromaticContact CE2-CG 3.91Å; F379-H388 HydrophobicContact CZ-CB 3.83Å; F379-H388 AromaticContact CZ-CD2 3.45Å; F379-H388 VanDerWaalsContact CZ-CD2 3.45Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.35Å; F379-H388 AromaticContact CZ-CG 3.41Å; F379-H388 VanDerWaalsContact CZ-CG 3.41Å; F379-H388 AromaticContact CZ-ND1 3.83Å; F379-H388 AromaticContact CZ-NE2 3.9Å; S384-H388 VanDerWaalsContact O-CB 3.28Å; S384-H388 WeakPolarHBondContact O-CB 3.49Å; S384-H388 PolarHBondContact O-N 2.66Å; R385-H388 PolarHBondContact O-N 3.04Å; V386-H388 VanDerWaalsContact C-N 3.31Å; V386-H388 PolarHBondContact O-N 3.19Å; H388-L390 VanDerWaalsContact C-N 3.28Å; H388-L390 PolarHBondContact O-N 3.31Å; H388-S391 WeakPolarHBondContact O-CB 3.22Å; H388-S391 PolarHBondContact O-N 2.92Å; H388-S391 PolarHBondContact O-OG 3.25Å; H388-H392 AromaticContact CD2-NE2 3.69Å; H388-H392 AromaticContact CE1-NE2 3.48Å; H388-H392 PolarHBondContact CE1-NE2 3.21Å; H388-H392 AromaticContact NE2-CD2 3.83Å; H388-H392 AromaticContact NE2-CE1 3.91Å; H388-H392 AromaticContact NE2-NE2 2.97Å; H388-H392 PolarHBondContact NE2-NE2 3.03Å
389	V	52.9	Low	50.4	Low	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-36.6	176.8	169.6	0	0	0	0	112.7	A361 H364 V365 C372 R385 V386 S391 H392 I393	A361-V389 HydrophobicContact CB-CB 4.36Å; A361-V389 HydrophobicContact CB-CG1 3.84Å; A361-V389 WeakPolarHBondContact O-CG1 3.37Å; H364-V389 HydrophobicContact CB-CG1 3.88Å; H364-V389 HydrophobicContact CB-CG2 4.49Å; V365-V389 HydrophobicContact CG2-CG2 3.74Å; C372-V389 HydrophobicContact CB-CG2 4.48Å; C372-V389 VanDerWaalsContact SG-CG2 3.6Å; R385-V389 WeakPolarHBondContact O-CG2 3.11Å; R385-V389 PolarHBondContact O-N 3.18Å; V386-V389 PolarHBondContact O-N 3.05Å; V389-S391 PolarHBondContact O-N 3.34Å; V389-H392 WeakPolarHBondContact O-CB 3.4Å; V389-H392 PolarHBondContact O-N 3.26Å; V389-I393 HydrophobicContact CG1-CD1 3.8Å; V389-I393 HydrophobicContact CG1-CG1 4.35Å; V389-I393 WeakPolarHBondContact O-CG1 3.43Å; V389-I393 PolarHBondContact O-N 3.4Å; V389-I393 VanDerWaalsContact O-N 3.12Å
390	L	54.4	Low	49.9	Very low	15 Å²	15	62.9 Å²	62.9	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-24.5	175.1	-73.3	169.8	0	0	0	113.5	I357 R358 A361 V386 H388 I393 G394	I357-L390 HydrophobicContact CG2-CD2 3.59Å; R358-L390 HydrophobicContact CG-CD1 3.92Å; A361-L390 HydrophobicContact CB-CD2 3.74Å; A361-L390 HydrophobicContact CB-CG 3.88Å; V386-L390 HydrophobicContact CG1-CD1 4.22Å; V386-L390 VanDerWaalsContact O-CG 3.27Å; V386-L390 WeakPolarHBondContact O-CG 3.41Å; V386-L390 PolarHBondContact O-N 2.99Å; H388-L390 VanDerWaalsContact C-N 3.28Å; H388-L390 PolarHBondContact O-N 3.31Å; L390-I393 HydrophobicContact CD2-CD1 4.44Å; L390-I393 PolarHBondContact O-N 3.07Å; L390-G394 PolarHBondContact O-N 3.32Å
391	S	52.3	Low	49.5	Very low	62 Å²	62	58.6 Å²	58.6	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-71	-34.5	172.7	75.1	0	0	0	0	112.5	T387 H388 V389 I393 G394	T387-S391 PolarHBondContact O-N 2.64Å; H388-S391 WeakPolarHBondContact O-CB 3.22Å; H388-S391 PolarHBondContact O-N 2.92Å; H388-S391 PolarHBondContact O-OG 3.25Å; V389-S391 PolarHBondContact O-N 3.34Å; S391-I393 VanDerWaalsContact C-N 3.3Å; S391-G394 PolarHBondContact O-N 3.35Å
392	H	47.7	Very low	48.7	Very low	63 Å²	63	58.6 Å²	58.6	29%	0.292	31%	0.313	S	S	.	.	H	α-helix	trans	-71.5	-23.2	170.4	-58.5	-51.8	0	0	0	113.1	V345 H388 V389	V345-H392 HydrophobicContact CG2-CB 3.94Å; H388-H392 AromaticContact CD2-NE2 3.69Å; H388-H392 AromaticContact CE1-NE2 3.48Å; H388-H392 PolarHBondContact CE1-NE2 3.21Å; H388-H392 AromaticContact NE2-CD2 3.83Å; H388-H392 AromaticContact NE2-CE1 3.91Å; H388-H392 AromaticContact NE2-NE2 2.97Å; H388-H392 PolarHBondContact NE2-NE2 3.03Å; V389-H392 WeakPolarHBondContact O-CB 3.4Å; V389-H392 PolarHBondContact O-N 3.26Å
393	I	54.1	Low	48.1	Very low	9 Å²	9	56.9 Å²	56.9	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-84.6	-19.2	176.4	-63.6	173.2	0	0	0	111.8	A361 V389 L390 S391 I395	A361-I393 HydrophobicContact CB-CD1 3.82Å; V389-I393 HydrophobicContact CG1-CD1 3.8Å; V389-I393 HydrophobicContact CG1-CG1 4.35Å; V389-I393 WeakPolarHBondContact O-CG1 3.43Å; V389-I393 PolarHBondContact O-N 3.4Å; V389-I393 VanDerWaalsContact O-N 3.12Å; L390-I393 HydrophobicContact CD2-CD1 4.44Å; L390-I393 PolarHBondContact O-N 3.07Å; S391-I393 VanDerWaalsContact C-N 3.3Å; I393-I395 HydrophobicContact CG2-CD1 3.92Å; I393-I395 HydrophobicContact CG2-CG1 4.25Å
394	G	49.2	Very low	47.6	Very low	43 Å²	43	57.3 Å²	57.3	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	22.5	164.8	0	0	0	0	0	116.9	L390 S391	L390-G394 PolarHBondContact O-N 3.32Å; S391-G394 PolarHBondContact O-N 3.35Å
395	I	50.8	Low	46.8	Very low	30 Å²	30	57.8 Å²	57.8	15%	0.154	32%	0.317	C	S	.	.			trans	-109.2	115.1	-171.7	-58.3	177	0	0	0	111.7	M341 I357 I393 L397 F408	M341-I395 HydrophobicContact CE-CD1 3.63Å; M341-I395 HydrophobicContact CE-CG1 3.72Å; I357-I395 HydrophobicContact CD1-CD1 4.05Å; I357-I395 HydrophobicContact CG1-CD1 4.48Å; I357-I395 HydrophobicContact CG2-CD1 3.88Å; I393-I395 HydrophobicContact CG2-CD1 3.92Å; I393-I395 HydrophobicContact CG2-CG1 4.25Å; I395-L397 HydrophobicContact CG2-CD2 4.31Å; I395-F408 WeakPolarHBondContact O-CD1 2.41Å
396	F	47.7	Very low	46.1	Very low	123 Å²	123	63.6 Å²	63.6	54%	0.539	34%	0.344	S	S	.	.			trans	-79.7	147.5	178	-61.6	-108.2	0	0	0	111.6	F408	F396-F408 HydrophobicContact CB-CD1 4.37Å; F396-F408 HydrophobicContact CB-CE1 4.32Å; F396-F408 HydrophobicContact CD1-CD1 4.12Å; F396-F408 AromaticContact CD1-CD2 3.97Å; F396-F408 HydrophobicContact CD1-CD2 3.97Å; F396-F408 AromaticContact CD1-CE1 3.78Å; F396-F408 HydrophobicContact CD1-CE1 3.78Å; F396-F408 AromaticContact CD1-CE2 3.64Å; F396-F408 HydrophobicContact CD1-CE2 3.64Å; F396-F408 HydrophobicContact CD1-CG 4.21Å; F396-F408 AromaticContact CD1-CZ 3.54Å; F396-F408 HydrophobicContact CD1-CZ 3.54Å; F396-F408 AromaticContact CD2-CE1 3.75Å; F396-F408 HydrophobicContact CD2-CE1 3.75Å; F396-F408 AromaticContact CD2-CZ 3.83Å; F396-F408 HydrophobicContact CD2-CZ 3.83Å; F396-F408 HydrophobicContact CE1-CD2 4.03Å; F396-F408 HydrophobicContact CE1-CE1 4.03Å; F396-F408 AromaticContact CE1-CE2 3.29Å; F396-F408 HydrophobicContact CE1-CE2 3.29Å; F396-F408 AromaticContact CE1-CZ 3.3Å; F396-F408 HydrophobicContact CE1-CZ 3.3Å; F396-F408 AromaticContact CE2-CE1 3.98Å; F396-F408 HydrophobicContact CE2-CE1 3.98Å; F396-F408 HydrophobicContact CE2-CE2 4.43Å; F396-F408 AromaticContact CE2-CZ 3.59Å; F396-F408 HydrophobicContact CE2-CZ 3.59Å; F396-F408 HydrophobicContact CG-CD1 4.09Å; F396-F408 AromaticContact CG-CE1 3.65Å; F396-F408 HydrophobicContact CG-CE1 3.65Å; F396-F408 HydrophobicContact CG-CE2 4.35Å; F396-F408 AromaticContact CG-CZ 3.81Å; F396-F408 HydrophobicContact CG-CZ 3.81Å; F396-F408 HydrophobicContact CZ-CE1 4.12Å; F396-F408 AromaticContact CZ-CE2 3.74Å; F396-F408 HydrophobicContact CZ-CE2 3.74Å; F396-F408 AromaticContact CZ-CZ 3.32Å; F396-F408 HydrophobicContact CZ-CZ 3.32Å
397	L	44.4	Very low	45.6	Very low	64 Å²	64	64.7 Å²	64.7	34%	0.335	35%	0.347	S	S	.	.			trans	-136.4	-10.6	-168.6	-66.8	176.7	0	0	0	116.4	I354 I395 F407	I354-L397 HydrophobicContact CD1-CD1 4.22Å; I354-L397 HydrophobicContact CD1-CD2 3.83Å; I354-L397 HydrophobicContact CG1-CD2 4.35Å; I395-L397 HydrophobicContact CG2-CD2 4.31Å; L397-F407 PolarHBondContact N-O 2.9Å; L397-F407 VanDerWaalsContact N-O 3.12Å
398	F	42.4	Very low	44.9	Very low	73 Å²	73	64.2 Å²	64.2	32%	0.32	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	174.4	-175	-60.2	-91.6	0	0	0	111.7	F407 F408 T409 Q410 L413	F398-F407 PolarHBondContact N-O 3.08Å; F398-F407 PolarHBondContact O-N 3.4Å; F398-F408 WeakPolarHBondContact CD2-O 2.3Å; F398-T409 VanDerWaalsContact CD2-C 3.49Å; F398-Q410 HydrophobicContact CD1-CB 4.03Å; F398-Q410 HydrophobicContact CE1-CB 3.98Å; F398-Q410 HydrophobicContact CZ-CB 4.47Å; F398-L413 HydrophobicContact CB-CD2 4.39Å
399	S	38.1	Very low	44.2	Very low	60 Å²	60	64.6 Å²	64.6	42%	0.42	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	140.8	178.8	52.9	0	0	0	0	113.1	T405 L413	S399-T405 CarbonylContact C-O 3.55Å; S399-T405 WeakPolarHBondContact CA-O 3.15Å; S399-T405 WeakPolarHBondContact CB-O 3.11Å; S399-L413 WeakPolarHBondContact O-CD2 3.33Å
400	C	42.5	Very low	43.3	Very low	1 Å²	1	69.5 Å²	69.5	1%	0.007	37%	0.367	C	S	.	.			trans	-76.3	131.8	-177.7	-171.6	0	0	0	0	113.7	M402 E404 T405 F407 L413 H416	C400-M402 PolarHBondContact O-N 3.25Å; C400-E404 WeakPolarHBondContact O-CA 3.31Å; C400-E404 PolarHBondContact O-N 3.12Å; C400-T405 PolarHBondContact N-O 2.97Å; C400-F407 HydrophobicContact CB-CD2 4.2Å; C400-F407 HydrophobicContact CB-CE2 3.74Å; C400-L413 HydrophobicContact CB-CB 4.19Å; C400-L413 PolarHBondContact SG-O 3.12Å; C400-H416 HydrophobicContact CB-CB 3.86Å; C400-H416 WeakPolarHBondContact SG-CB 3.38Å; C400-H416 PolarHBondContact SG-CD2 2.87Å
401	D	37.9	Very low	42.5	Very low	77 Å²	77	78 Å²	78	41%	0.412	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	36	-176.3	51	3.5	0	0	0	113.1	L413 R417	D401-L413 WeakPolarHBondContact OD1-CD1 3.46Å; D401-R417 PolarHBondContact O-NH2 3.26Å; D401-R417 VanDerWaalsContact O-NH2 3.15Å; D401-R417 WeakPolarHBondContact OD1-CD 3.39Å; D401-R417 WeakPolarHBondContact OD1-CG 3.39Å; D401-R417 IonicContact OD1-CZ 3.23Å; D401-R417 IonicContact OD1-NE 3.72Å; D401-R417 PolarHBondContact OD1-NE 3.34Å; D401-R417 IonicContact OD1-NH1 3.31Å; D401-R417 PolarHBondContact OD1-NH1 2.97Å; D401-R417 VanDerWaalsContact OD1-NH1 3.16Å; D401-R417 IonicContact OD1-NH2 2.93Å; D401-R417 PolarHBondContact OD1-NH2 3.44Å; D401-R417 IonicContact OD2-CZ 3.13Å; D401-R417 IonicContact OD2-NE 2.76Å; D401-R417 IonicContact OD2-NH1 2.76Å; D401-R417 PolarHBondContact OD2-NH1 2.95Å; D401-R417 IonicContact OD2-NH2 3.76Å; D401-R417 PolarHBondContact OD2-NH2 3.37Å; D401-R417 VanDerWaalsContact OD2-NH2 3.11Å
402	M	34.3	Very low	41.9	Very low	110 Å²	110	78.2 Å²	78.2	54%	0.542	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-12	158.8	-78	-169.5	69.2	0	0	115.3	C400 H416 R417	C400-M402 PolarHBondContact O-N 3.25Å; M402-H416 PolarHBondContact O-NE2 2.78Å; M402-R417 HydrophobicContact CB-CG 4.37Å; M402-R417 HydrophobicContact CG-CB 4.18Å; M402-R417 HydrophobicContact CG-CG 4.01Å; M402-R417 HydrophobicContact SD-CB 3.71Å; M402-R417 HydrophobicContact SD-CG 4.19Å
403	C	38.7	Very low	41.6	Very low	89 Å²	89	75.8 Å²	75.8	60%	0.601	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158.1	23	168	112.2	0	0	0	0	114.8	T405 H416	C403-T405 PolarHBondContact O-N 3.47Å; C403-H416 WeakPolarHBondContact CA-NE2 3.5Å; C403-H416 WeakPolarHBondContact CB-NE2 3.08Å; C403-H416 PolarHBondContact N-NE2 3.42Å; C403-H416 PolarHBondContact O-CE1 3.26Å; C403-H416 VanDerWaalsContact O-CE1 3.24Å; C403-H416 PolarHBondContact SG-CE1 3.44Å; C403-H416 PolarHBondContact SG-NE2 2.94Å
404	E	40.5	Very low	40.9	Very low	144 Å²	144	79.2 Å²	79.2	67%	0.673	40%	0.403	S	S	*	.			trans	66.5	15.7	159	-60.5	-179	-158.5	0	0	118.7	C400	C400-E404 WeakPolarHBondContact O-CA 3.31Å; C400-E404 PolarHBondContact O-N 3.12Å
405	T	36.6	Very low	40.5	Very low	60 Å²	60	82.8 Å²	82.8	37%	0.368	41%	0.411	S	S	.	.			trans	-68.4	140.8	168.8	42.9	0	0	0	0	111.9	S399 C400 C403 F407 H416	S399-T405 CarbonylContact C-O 3.55Å; S399-T405 WeakPolarHBondContact CA-O 3.15Å; S399-T405 WeakPolarHBondContact CB-O 3.11Å; C400-T405 PolarHBondContact N-O 2.97Å; C403-T405 PolarHBondContact O-N 3.47Å; T405-F407 WeakPolarHBondContact O-CD2 3.12Å; T405-F407 WeakPolarHBondContact O-CE2 3.15Å; T405-F407 WeakPolarHBondContact OG1-CE2 3.33Å; T405-F407 VanDerWaalsContact OG1-CZ 3.27Å; T405-F407 WeakPolarHBondContact OG1-CZ 2.93Å; T405-H416 VanDerWaalsContact CB-CE1 3.44Å; T405-H416 WeakPolarHBondContact CB-CE1 3.44Å; T405-H416 VanDerWaalsContact CG2-CE1 3.44Å; T405-H416 WeakPolarHBondContact CG2-CE1 3.44Å; T405-H416 PolarHBondContact N-CE1 2.8Å; T405-H416 VanDerWaalsContact N-CE1 3.34Å; T405-H416 PolarHBondContact OG1-CE1 3.21Å; T405-H416 PolarHBondContact OG1-ND1 3.17Å
406	K	41.9	Very low	40.4	Very low	162 Å²	162	83 Å²	83	70%	0.704	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.8	179.5	-64.8	-173.3	178.8	-175.3	0	111.8
407	F	44.1	Very low	40.1	Very low	41 Å²	41	83 Å²	83	18%	0.18	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.9	-166.4	-72.3	-56.9	0	0	0	112.5	L397 F398 C400 T405 Q412 L413	L397-F407 PolarHBondContact N-O 2.9Å; L397-F407 VanDerWaalsContact N-O 3.12Å; F398-F407 PolarHBondContact N-O 3.08Å; F398-F407 PolarHBondContact O-N 3.4Å; C400-F407 HydrophobicContact CB-CD2 4.2Å; C400-F407 HydrophobicContact CB-CE2 3.74Å; T405-F407 WeakPolarHBondContact O-CD2 3.12Å; T405-F407 WeakPolarHBondContact O-CE2 3.15Å; T405-F407 WeakPolarHBondContact OG1-CE2 3.33Å; T405-F407 VanDerWaalsContact OG1-CZ 3.27Å; T405-F407 WeakPolarHBondContact OG1-CZ 2.93Å; F407-Q412 HydrophobicContact CB-CB 3.8Å; F407-Q412 HydrophobicContact CD1-CB 3.39Å; F407-Q412 HydrophobicContact CD1-CG 4.11Å; F407-Q412 HydrophobicContact CD2-CB 4.04Å; F407-Q412 HydrophobicContact CE1-CB 3.91Å; F407-Q412 HydrophobicContact CE2-CB 4.49Å; F407-Q412 HydrophobicContact CG-CB 3.46Å; F407-Q412 VanDerWaalsContact CG-CB 3.46Å; F407-Q412 HydrophobicContact CG-CG 4.47Å; F407-Q412 HydrophobicContact CZ-CB 4.43Å; F407-L413 HydrophobicContact CD2-CB 4.34Å
408	F	40.1	Very low	40	Very low	72 Å²	72	84.5 Å²	84.5	32%	0.316	41%	0.409	S	S	.	.	S	Bend	trans	-92	-19.6	178.5	-67.5	-83.2	0	0	0	112.8	I395 F396 F398	I395-F408 WeakPolarHBondContact O-CD1 2.41Å; F396-F408 HydrophobicContact CB-CD1 4.37Å; F396-F408 HydrophobicContact CB-CE1 4.32Å; F396-F408 HydrophobicContact CD1-CD1 4.12Å; F396-F408 AromaticContact CD1-CD2 3.97Å; F396-F408 HydrophobicContact CD1-CD2 3.97Å; F396-F408 AromaticContact CD1-CE1 3.78Å; F396-F408 HydrophobicContact CD1-CE1 3.78Å; F396-F408 AromaticContact CD1-CE2 3.64Å; F396-F408 HydrophobicContact CD1-CE2 3.64Å; F396-F408 HydrophobicContact CD1-CG 4.21Å; F396-F408 AromaticContact CD1-CZ 3.54Å; F396-F408 HydrophobicContact CD1-CZ 3.54Å; F396-F408 AromaticContact CD2-CE1 3.75Å; F396-F408 HydrophobicContact CD2-CE1 3.75Å; F396-F408 AromaticContact CD2-CZ 3.83Å; F396-F408 HydrophobicContact CD2-CZ 3.83Å; F396-F408 HydrophobicContact CE1-CD2 4.03Å; F396-F408 HydrophobicContact CE1-CE1 4.03Å; F396-F408 AromaticContact CE1-CE2 3.29Å; F396-F408 HydrophobicContact CE1-CE2 3.29Å; F396-F408 AromaticContact CE1-CZ 3.3Å; F396-F408 HydrophobicContact CE1-CZ 3.3Å; F396-F408 AromaticContact CE2-CE1 3.98Å; F396-F408 HydrophobicContact CE2-CE1 3.98Å; F396-F408 HydrophobicContact CE2-CE2 4.43Å; F396-F408 AromaticContact CE2-CZ 3.59Å; F396-F408 HydrophobicContact CE2-CZ 3.59Å; F396-F408 HydrophobicContact CG-CD1 4.09Å; F396-F408 AromaticContact CG-CE1 3.65Å; F396-F408 HydrophobicContact CG-CE1 3.65Å; F396-F408 HydrophobicContact CG-CE2 4.35Å; F396-F408 AromaticContact CG-CZ 3.81Å; F396-F408 HydrophobicContact CG-CZ 3.81Å; F396-F408 HydrophobicContact CZ-CE1 4.12Å; F396-F408 AromaticContact CZ-CE2 3.74Å; F396-F408 HydrophobicContact CZ-CE2 3.74Å; F396-F408 AromaticContact CZ-CZ 3.32Å; F396-F408 HydrophobicContact CZ-CZ 3.32Å; F398-F408 WeakPolarHBondContact CD2-O 2.3Å
409	T	37	Very low	40.2	Very low	59 Å²	59	83.6 Å²	83.6	36%	0.362	41%	0.406	S	S	.	.	S	Bend	trans	-141.7	152.2	-179.3	63.6	0	0	0	0	112.7	F398 W411 Q412	F398-T409 VanDerWaalsContact CD2-C 3.49Å; T409-W411 PolarHBondContact O-N 2.85Å; T409-Q412 PolarHBondContact O-N 3.13Å
410	Q	34.6	Very low	40.1	Very low	103 Å²	103	83.9 Å²	83.9	48%	0.481	42%	0.418	S	S	.	.	H	α-helix	trans	-52	-38.1	174.9	-171.8	75.8	5.2	0	0	112.3	F398 Q412 L413 T414	F398-Q410 HydrophobicContact CD1-CB 4.03Å; F398-Q410 HydrophobicContact CE1-CB 3.98Å; F398-Q410 HydrophobicContact CZ-CB 4.47Å; Q410-Q412 PolarHBondContact O-N 3.44Å; Q410-L413 VanDerWaalsContact CD-CD2 3.41Å; Q410-L413 HydrophobicContact CG-CD2 4.29Å; Q410-L413 WeakPolarHBondContact O-CA 3.16Å; Q410-L413 VanDerWaalsContact O-CB 3.23Å; Q410-L413 WeakPolarHBondContact O-CB 3.21Å; Q410-L413 VanDerWaalsContact O-CG 3.28Å; Q410-L413 WeakPolarHBondContact O-CG 3.16Å; Q410-L413 PolarHBondContact O-N 2.69Å; Q410-T414 PolarHBondContact O-N 3.32Å; Q410-T414 PolarHBondContact O-OG1 2.67Å
411	W	36.6	Very low	39.9	Very low	192 Å²	192	87.2 Å²	87.2	73%	0.727	44%	0.439	S	S	*	.	H	α-helix	trans	-56	-42.8	-179.3	172.6	-94	0	0	0	114.1	T409 L413 T414 L415	T409-W411 PolarHBondContact O-N 2.85Å; W411-L413 PolarHBondContact O-N 3.46Å; W411-T414 PolarHBondContact O-N 3.4Å; W411-L415 PolarHBondContact O-N 2.91Å
412	Q	40.6	Very low	39.6	Very low	68 Å²	68	91.1 Å²	91.1	32%	0.318	45%	0.452	S	S	.	.	H	α-helix	trans	-65	-30.6	178.1	-61.5	177	-52.7	0	0	111.1	F407 T409 Q410	F407-Q412 HydrophobicContact CB-CB 3.8Å; F407-Q412 HydrophobicContact CD1-CB 3.39Å; F407-Q412 HydrophobicContact CD1-CG 4.11Å; F407-Q412 HydrophobicContact CD2-CB 4.04Å; F407-Q412 HydrophobicContact CE1-CB 3.91Å; F407-Q412 HydrophobicContact CE2-CB 4.49Å; F407-Q412 HydrophobicContact CG-CB 3.46Å; F407-Q412 VanDerWaalsContact CG-CB 3.46Å; F407-Q412 HydrophobicContact CG-CG 4.47Å; F407-Q412 HydrophobicContact CZ-CB 4.43Å; T409-Q412 PolarHBondContact O-N 3.13Å; Q410-Q412 PolarHBondContact O-N 3.44Å
413	L	41.9	Very low	39.2	Very low	11 Å²	11	91.3 Å²	91.3	6%	0.058	46%	0.455	C	S	.	.	H	α-helix	trans	-70.4	-40	174.5	122.1	71.1	0	0	0	111.1	F398 S399 C400 D401 F407 Q410 W411 L415	F398-L413 HydrophobicContact CB-CD2 4.39Å; S399-L413 WeakPolarHBondContact O-CD2 3.33Å; C400-L413 HydrophobicContact CB-CB 4.19Å; C400-L413 PolarHBondContact SG-O 3.12Å; D401-L413 WeakPolarHBondContact OD1-CD1 3.46Å; F407-L413 HydrophobicContact CD2-CB 4.34Å; Q410-L413 VanDerWaalsContact CD-CD2 3.41Å; Q410-L413 HydrophobicContact CG-CD2 4.29Å; Q410-L413 WeakPolarHBondContact O-CA 3.16Å; Q410-L413 VanDerWaalsContact O-CB 3.23Å; Q410-L413 WeakPolarHBondContact O-CB 3.21Å; Q410-L413 VanDerWaalsContact O-CG 3.28Å; Q410-L413 WeakPolarHBondContact O-CG 3.16Å; Q410-L413 PolarHBondContact O-N 2.69Å; W411-L413 PolarHBondContact O-N 3.46Å; L413-L415 VanDerWaalsContact C-N 3.33Å; L413-L415 PolarHBondContact O-N 3.07Å
414	T	39.5	Very low	38.6	Very low	81 Å²	81	93.1 Å²	93.1	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-32.4	175.4	-38.3	0	0	0	0	113.4	Q410 W411 H416	Q410-T414 PolarHBondContact O-N 3.32Å; Q410-T414 PolarHBondContact O-OG1 2.67Å; W411-T414 PolarHBondContact O-N 3.4Å; T414-H416 VanDerWaalsContact C-N 3.32Å; T414-H416 PolarHBondContact O-N 2.82Å
415	L	39.4	Very low	38	Very low	118 Å²	118	93.5 Å²	93.5	62%	0.618	47%	0.466	S	S	*	.	H	α-helix	trans	-64.5	-36.7	-176.1	-158.3	84.1	0	0	0	112.9	W411 L413	W411-L415 PolarHBondContact O-N 2.91Å; L413-L415 VanDerWaalsContact C-N 3.33Å; L413-L415 PolarHBondContact O-N 3.07Å
416	H	49.5	Very low	37.4	Very low	35 Å²	35	95.3 Å²	95.3	16%	0.162	47%	0.472	C	S	.	.	H	α-helix	trans	-82.8	-28.1	-170.3	167.8	154.6	0	0	0	112.3	C400 M402 C403 T405 T414 R418 E419	C400-H416 HydrophobicContact CB-CB 3.86Å; C400-H416 WeakPolarHBondContact SG-CB 3.38Å; C400-H416 PolarHBondContact SG-CD2 2.87Å; M402-H416 PolarHBondContact O-NE2 2.78Å; C403-H416 WeakPolarHBondContact CA-NE2 3.5Å; C403-H416 WeakPolarHBondContact CB-NE2 3.08Å; C403-H416 PolarHBondContact N-NE2 3.42Å; C403-H416 PolarHBondContact O-CE1 3.26Å; C403-H416 VanDerWaalsContact O-CE1 3.24Å; C403-H416 PolarHBondContact SG-CE1 3.44Å; C403-H416 PolarHBondContact SG-NE2 2.94Å; T405-H416 VanDerWaalsContact CB-CE1 3.44Å; T405-H416 WeakPolarHBondContact CB-CE1 3.44Å; T405-H416 VanDerWaalsContact CG2-CE1 3.44Å; T405-H416 WeakPolarHBondContact CG2-CE1 3.44Å; T405-H416 PolarHBondContact N-CE1 2.8Å; T405-H416 VanDerWaalsContact N-CE1 3.34Å; T405-H416 PolarHBondContact OG1-CE1 3.21Å; T405-H416 PolarHBondContact OG1-ND1 3.17Å; T414-H416 VanDerWaalsContact C-N 3.32Å; T414-H416 PolarHBondContact O-N 2.82Å; H416-R418 PolarHBondContact O-N 3.43Å; H416-E419 PolarHBondContact O-N 3.43Å
417	R	41.5	Very low	36.7	Very low	122 Å²	122	93.8 Å²	93.8	46%	0.46	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-3.4	173.7	-59.6	-168.3	97	138.5	25	114.9	D401 M402	D401-R417 PolarHBondContact O-NH2 3.26Å; D401-R417 VanDerWaalsContact O-NH2 3.15Å; D401-R417 WeakPolarHBondContact OD1-CD 3.39Å; D401-R417 WeakPolarHBondContact OD1-CG 3.39Å; D401-R417 IonicContact OD1-CZ 3.23Å; D401-R417 IonicContact OD1-NE 3.72Å; D401-R417 PolarHBondContact OD1-NE 3.34Å; D401-R417 IonicContact OD1-NH1 3.31Å; D401-R417 PolarHBondContact OD1-NH1 2.97Å; D401-R417 VanDerWaalsContact OD1-NH1 3.16Å; D401-R417 IonicContact OD1-NH2 2.93Å; D401-R417 PolarHBondContact OD1-NH2 3.44Å; D401-R417 IonicContact OD2-CZ 3.13Å; D401-R417 IonicContact OD2-NE 2.76Å; D401-R417 IonicContact OD2-NH1 2.76Å; D401-R417 PolarHBondContact OD2-NH1 2.95Å; D401-R417 IonicContact OD2-NH2 3.76Å; D401-R417 PolarHBondContact OD2-NH2 3.37Å; D401-R417 VanDerWaalsContact OD2-NH2 3.11Å; M402-R417 HydrophobicContact CB-CG 4.37Å; M402-R417 HydrophobicContact CG-CB 4.18Å; M402-R417 HydrophobicContact CG-CG 4.01Å; M402-R417 HydrophobicContact SD-CB 3.71Å; M402-R417 HydrophobicContact SD-CG 4.19Å
418	R	42.1	Very low	35.7	Very low	96 Å²	96	98.3 Å²	98.3	36%	0.362	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.5	179.8	-168.1	166.1	-69.5	173.3	3.2	113.8	H416	H416-R418 PolarHBondContact O-N 3.43Å
419	E	46	Very low	35	Very low	55 Å²	55	101.3 Å²	101.3	26%	0.257	51%	0.51	S	S	.	.			trans	-138.6	125.1	-161.1	-79.2	-71.3	99.7	0	0	114.6	H416 N489 L490 C491	H416-E419 PolarHBondContact O-N 3.43Å; E419-N489 PolarHBondContact OE2-ND2 3.26Å; E419-L490 PolarHBondContact OE1-N 3.08Å; E419-L490 VanDerWaalsContact OE1-N 3.14Å; E419-C491 VanDerWaalsContact CD-SG 3.56Å; E419-C491 HydrophobicContact CG-CB 3.9Å; E419-C491 VanDerWaalsContact CG-SG 3.51Å; E419-C491 PolarHBondContact OE1-N 3.47Å; E419-C491 WeakPolarHBondContact OE2-CB 3.47Å
420	G	36.2	Very low	34.6	Very low	66 Å²	66	104 Å²	104	68%	0.68	53%	0.528	S	S	*	.			trans	-134.5	-11	-167.6	0	0	0	0	0	119.1
421	V	39.7	Very low	34.3	Very low	71 Å²	71	103.7 Å²	103.7	43%	0.43	54%	0.538	S	S	.	.			trans	59.8	142.7	160.5	-145.4	0	0	0	0	120.9
422	F	30	Very low	33.7	Very low	158 Å²	158	101.8 Å²	101.8	69%	0.693	54%	0.541	S	S	*	.			trans	81.3	140.7	169.7	-52.6	-70.3	0	0	0	116.6
423	D	26.5	Very low	33.1	Very low	114 Å²	114	103.9 Å²	103.9	61%	0.61	56%	0.561	S	S	*	*			cis	-124.9	150.3	15	-91.3	-37.8	0	0	0	113.8
424	N	25.7	Very low	32.3	Very low	127 Å²	127	111.5 Å²	111.5	68%	0.679	60%	0.601	S	S	*	*			trans	149.7	143.7	149.6	-82.5	-45	0	0	0	112.7	I426 L488	N424-I426 PolarHBondContact O-N 2.99Å; N424-L488 WeakPolarHBondContact O-CD2 3.42Å
425	N	28.6	Very low	31.6	Very low	153 Å²	153	113.9 Å²	113.9	82%	0.818	62%	0.618	S	S	*	*			trans	-84.9	117	-178.1	-70.4	-24.3	0	0	0	112.6
426	I	24.7	Very low	31	Very low	97 Å²	97	111.6 Å²	111.6	50%	0.497	62%	0.622	S	S	.	*			trans	-127.1	108.7	144.5	-57.6	-178.9	0	0	0	107	N424 I428	N424-I426 PolarHBondContact O-N 2.99Å; I426-I428 HydrophobicContact CG2-CG1 4.05Å
427	I	26.8	Very low	29.9	Very low	130 Å²	130	119.6 Å²	119.6	67%	0.667	66%	0.657	S	S	*	*			trans	-88.3	113.8	170.9	-58.9	174	0	0	0	107
428	I	23.7	Very low	29.5	Very low	136 Å²	136	119.9 Å²	119.9	70%	0.697	67%	0.672	S	S	*	*			trans	-99	111.5	163.9	-56.9	-178.3	0	0	0	106.7	I426	I426-I428 HydrophobicContact CG2-CG1 4.05Å
429	H	25.3	Very low	28.8	Very low	135 Å²	135	123.3 Å²	123.3	63%	0.625	70%	0.698	S	S	*	*			trans	-72.1	128.9	175	-91.2	-93.6	0	0	0	110.1	S431	H429-S431 PolarHBondContact O-N 3.37Å
430	P	27.3	Very low	27.8	Very low	116 Å²	116	128 Å²	128	75%	0.753	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	38.9	179.8	-18.5	33.7	0	0	0	114.8
431	S	29.2	Very low	27.4	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.1	-9.4	-160.6	-54.3	0	0	0	0	116.9	H429	H429-S431 PolarHBondContact O-N 3.37Å
432	D	23.6	Very low	26.6	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	75%	0.748	S	S	*	*	S	Bend	trans	-89.3	132.6	168.6	-78.6	-51	0	0	0	110.7
433	P	26.9	Very low	26.8	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.9	130.4	-177.3	30.1	-34.1	0	0	0	111.6	P435	P433-P435 VanDerWaalsContact O-CD 3.3Å; P433-P435 WeakPolarHBondContact O-CD 3.27Å
434	L	25.1	Very low	26.7	Very low	170 Å²	170	129.7 Å²	129.7	89%	0.89	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-60.5	118.8	172	-76.1	171.4	0	0	0	110.6	G436	L434-G436 PolarHBondContact O-N 2.76Å
435	P	26.2	Very low	27.5	Very low	132 Å²	132	129.6 Å²	129.6	86%	0.857	78%	0.778	S	S	*	*			trans	-80.1	88.2	-177	31.9	-34	0	0	0	110.7	P433	P433-P435 VanDerWaalsContact O-CD 3.3Å; P433-P435 WeakPolarHBondContact O-CD 3.27Å
436	G	25.6	Very low	28.2	Very low	69 Å²	69	126 Å²	126	71%	0.711	78%	0.777	S	S	*	*			trans	-160.6	38.3	-168.5	0	0	0	0	0	117.5	L434	L434-G436 PolarHBondContact O-N 2.76Å
437	K	26.6	Very low	29.1	Very low	203 Å²	203	125.7 Å²	125.7	88%	0.883	78%	0.784	S	S	*	*			trans	28.4	116.7	167.6	-70	-177.1	179.1	177.7	0	118.3
438	T	33.3	Very low	30.4	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	79%	0.785	S	S	*	*			trans	-42	137.7	158.5	50.5	0	0	0	0	113.4
439	N	26.9	Very low	31.9	Very low	167 Å²	167	122.4 Å²	122.4	89%	0.893	76%	0.764	S	S	*	*			trans	-129	139.3	153	-112.7	-9	0	0	0	109.4
440	M	26.8	Very low	33.5	Very low	153 Å²	153	119 Å²	119	75%	0.754	76%	0.759	S	S	*	*			trans	-97	156.1	-178.2	-77.2	-87.2	94.6	0	0	111.4
441	F	27.3	Very low	34.8	Very low	201 Å²	201	113.7 Å²	113.7	88%	0.882	72%	0.724	S	S	*	*			trans	25.4	111.3	159.1	-77.9	-85	0	0	0	119.4
442	G	22.1	Very low	36.1	Very low	77 Å²	77	112.7 Å²	112.7	79%	0.794	72%	0.722	S	S	*	*			trans	-153.9	122.4	155.4	0	0	0	0	0	109.5
443	G	33.5	Very low	37.6	Very low	92 Å²	92	107.7 Å²	107.7	95%	0.948	70%	0.702	S	S	*	*			trans	-75.3	127.6	174.5	0	0	0	0	0	110.4
444	G	24.9	Very low	39.3	Very low	75 Å²	75	105 Å²	105	77%	0.773	69%	0.685	S	S	*	*			trans	-164	122.2	-179.7	0	0	0	0	0	112.4
445	S	42.3	Very low	41	Very low	125 Å²	125	99.6 Å²	99.6	87%	0.874	67%	0.671	S	S	*	*			trans	-77.1	132.1	172.9	52.4	0	0	0	0	111
446	G	44.7	Very low	42.8	Very low	79 Å²	79	98.6 Å²	98.6	81%	0.814	65%	0.653	S	S	*	*			trans	87.9	108.1	168.3	0	0	0	0	0	114.8
447	S	42.9	Very low	44.4	Very low	90 Å²	90	99.1 Å²	99.1	63%	0.629	64%	0.643	S	S	*	*			trans	-158.6	118.5	159.6	45.9	0	0	0	0	108.6	K460	S447-K460 WeakPolarHBondContact O-CE 3.1Å; S447-K460 PolarHBondContact O-NZ 3.28Å
448	E	54.3	Low	46	Very low	150 Å²	150	90.1 Å²	90.1	70%	0.701	61%	0.605	S	S	*	*			trans	-74.8	153.2	-179.4	-60.9	178.4	146.8	0	0	110.6	A450 P457	E448-A450 PolarHBondContact O-N 3.37Å; E448-P457 HydrophobicContact CB-CB 4.04Å; E448-P457 VanDerWaalsContact OE2-CB 3.29Å; E448-P457 WeakPolarHBondContact OE2-CB 3.21Å
449	L	55.2	Low	47.1	Very low	47 Å²	47	86.4 Å²	86.4	25%	0.246	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.2	82.8	-177.5	-176.5	67.9	0	0	0	109.6	C451 L458 K460 V465 I503	L449-C451 PolarHBondContact O-N 2.93Å; L449-L458 HydrophobicContact CB-CB 4.31Å; L449-L458 WeakPolarHBondContact CB-O 3.49Å; L449-L458 PolarHBondContact N-O 2.91Å; L449-L458 WeakPolarHBondContact O-CB 2.99Å; L449-L458 VanDerWaalsContact O-CG 3.3Å; L449-L458 WeakPolarHBondContact O-CG 3.08Å; L449-L458 PolarHBondContact O-N 3.2Å; L449-K460 HydrophobicContact CB-CG 4.02Å; L449-V465 HydrophobicContact CD2-CG2 3.91Å; L449-I503 HydrophobicContact CD1-CG1 4.4Å; L449-I503 HydrophobicContact CD2-CD1 4.18Å; L449-I503 HydrophobicContact CD2-CG1 4.47Å
450	A	57.8	Low	48.3	Very low	64 Å²	64	85.1 Å²	85.1	53%	0.529	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.1	128.9	179	0	0	0	0	0	111.9	E448 A452 K456	E448-A450 PolarHBondContact O-N 3.37Å; A450-A452 PolarHBondContact O-N 3.47Å; A450-K456 WeakPolarHBondContact CA-O 3.32Å
451	C	56.5	Low	49.2	Very low	3 Å²	3	82.4 Å²	82.4	2%	0.02	56%	0.562	C	S	.	*			trans	-66.2	115.8	172	169.1	0	0	0	0	110.7	L449 A453 C454 G455 K456 L458 H468 L501	L449-C451 PolarHBondContact O-N 2.93Å; C451-A453 PolarHBondContact O-N 3.45Å; C451-C454 PolarHBondContact O-N 3.4Å; C451-C454 PolarHBondContact SG-N 2.82Å; C451-G455 WeakPolarHBondContact O-CA 3.4Å; C451-G455 PolarHBondContact O-N 2.92Å; C451-K456 PolarHBondContact N-O 3.22Å; C451-L458 HydrophobicContact CB-CD1 4.39Å; C451-H468 PolarHBondContact SG-NE2 3.28Å; C451-L501 WeakPolarHBondContact SG-CD2 3.34Å
452	A	55.2	Low	50	Low	77 Å²	77	79.3 Å²	79.3	64%	0.636	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29	-178.8	0	0	0	0	0	113.9	A450	A450-A452 PolarHBondContact O-N 3.47Å
453	A	55.9	Low	51.3	Low	46 Å²	46	81.4 Å²	81.4	38%	0.38	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-24.8	-176.1	0	0	0	0	0	114.5	C451 V482 L501	C451-A453 PolarHBondContact O-N 3.45Å; A453-V482 HydrophobicContact CB-CG1 4Å; A453-V482 HydrophobicContact CB-CG2 4.06Å; A453-L501 HydrophobicContact CB-CD2 3.88Å
454	C	63.1	Low	52.2	Low	56 Å²	56	80.2 Å²	80.2	38%	0.378	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142	13.9	-178.1	79.9	0	0	0	0	115.4	C451 K456 H468	C451-C454 PolarHBondContact O-N 3.4Å; C451-C454 PolarHBondContact SG-N 2.82Å; C454-K456 PolarHBondContact O-N 2.73Å; C454-H468 VanDerWaalsContact SG-CE1 3.58Å
455	G	59	Low	53.6	Low	57 Å²	57	77.4 Å²	77.4	59%	0.588	48%	0.48	S	S	*	.			trans	67.4	-4.4	173.2	0	0	0	0	0	116.9	C451	C451-G455 WeakPolarHBondContact O-CA 3.4Å; C451-G455 PolarHBondContact O-N 2.92Å
456	K	64.3	Low	54.2	Low	111 Å²	111	74.2 Å²	74.2	48%	0.483	45%	0.449	S	S	.	.			trans	-65.6	125.7	-177.3	-73.2	-177.3	-176.3	177.6	0	110.7	A450 C451 C454	A450-K456 WeakPolarHBondContact CA-O 3.32Å; C451-K456 PolarHBondContact N-O 3.22Å; C454-K456 PolarHBondContact O-N 2.73Å
457	P	59.9	Low	54.9	Low	79 Å²	79	74.7 Å²	74.7	51%	0.513	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.9	169	28.6	-32.6	0	0	0	109.9	E448	E448-P457 HydrophobicContact CB-CB 4.04Å; E448-P457 VanDerWaalsContact OE2-CB 3.29Å; E448-P457 WeakPolarHBondContact OE2-CB 3.21Å
458	L	59.4	Low	55.7	Low	15 Å²	15	71 Å²	71	8%	0.079	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.1	175.9	-48.2	172.2	0	0	0	110	L449 C451 V465 H468	L449-L458 HydrophobicContact CB-CB 4.31Å; L449-L458 WeakPolarHBondContact CB-O 3.49Å; L449-L458 PolarHBondContact N-O 2.91Å; L449-L458 WeakPolarHBondContact O-CB 2.99Å; L449-L458 VanDerWaalsContact O-CG 3.3Å; L449-L458 WeakPolarHBondContact O-CG 3.08Å; L449-L458 PolarHBondContact O-N 3.2Å; C451-L458 HydrophobicContact CB-CD1 4.39Å; L458-V465 HydrophobicContact CB-CG2 4.36Å; L458-V465 HydrophobicContact CD1-CG2 4.26Å; L458-H468 HydrophobicContact CD1-CB 4.43Å; L458-H468 HydrophobicContact CD2-CB 3.92Å
459	A	56.4	Low	56.1	Low	50 Å²	50	64 Å²	64	41%	0.413	37%	0.373	S	S	.	.			trans	-62.1	148.1	158.9	0	0	0	0	0	109.4	D461 V465	A459-D461 WeakPolarHBondContact CB-OD2 3.44Å; A459-D461 PolarHBondContact O-N 2.99Å; A459-V465 WeakPolarHBondContact O-CG2 3.15Å
460	K	52.3	Low	56.6	Low	140 Å²	140	63.7 Å²	63.7	61%	0.609	37%	0.371	S	S	*	.	S	Bend	trans	-78.4	30.8	-175.4	-66.7	178.9	-176.1	173.6	0	113.1	S447 L449	S447-K460 WeakPolarHBondContact O-CE 3.1Å; S447-K460 PolarHBondContact O-NZ 3.28Å; L449-K460 HydrophobicContact CB-CG 4.02Å
461	D	46.6	Very low	56.8	Low	96 Å²	96	65.9 Å²	65.9	51%	0.513	37%	0.374	S	S	.	.			trans	-100	130.3	-174.2	-64	-55.2	0	0	0	111.4	A459 H463 T464 V465	A459-D461 WeakPolarHBondContact CB-OD2 3.44Å; A459-D461 PolarHBondContact O-N 2.99Å; D461-H463 PolarHBondContact O-N 2.86Å; D461-H463 VanDerWaalsContact O-N 3.12Å; D461-T464 PolarHBondContact O-N 2.84Å; D461-T464 VanDerWaalsContact O-N 3.11Å; D461-V465 WeakPolarHBondContact O-CG2 3.37Å; D461-V465 PolarHBondContact O-N 3.47Å
462	F	43.7	Very low	57	Low	137 Å²	137	67.2 Å²	67.2	60%	0.601	38%	0.379	S	S	*	.	H	α-helix	trans	-54.5	-37	-175.4	176.8	-105.4	0	0	0	113.5	R466	F462-R466 WeakPolarHBondContact O-CB 3.37Å; F462-R466 PolarHBondContact O-N 3.48Å
463	H	49.3	Very low	57.3	Low	121 Å²	121	64 Å²	64	56%	0.56	35%	0.352	S	S	*	.	H	α-helix	trans	-73.7	-41.1	-179.8	-74.3	-110.9	0	0	0	112.3	D461 N467	D461-H463 PolarHBondContact O-N 2.86Å; D461-H463 VanDerWaalsContact O-N 3.12Å; H463-N467 VanDerWaalsContact O-CB 3.32Å; H463-N467 WeakPolarHBondContact O-CB 3.45Å; H463-N467 PolarHBondContact O-N 2.78Å; H463-N467 PolarHBondContact O-OD1 3.31Å
464	T	53.2	Low	57.5	Low	67 Å²	67	65.5 Å²	65.5	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-45.8	178.4	-41.7	0	0	0	0	110.7	D461 H468	D461-T464 PolarHBondContact O-N 2.84Å; D461-T464 VanDerWaalsContact O-N 3.11Å; T464-H468 WeakPolarHBondContact O-CB 3.2Å; T464-H468 PolarHBondContact O-N 3.1Å
465	V	54.1	Low	57.3	Low	16 Å²	16	67.4 Å²	67.4	10%	0.097	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-45.9	174.6	174.1	0	0	0	0	111	L449 L458 A459 D461 H468 I469 I503	L449-V465 HydrophobicContact CD2-CG2 3.91Å; L458-V465 HydrophobicContact CB-CG2 4.36Å; L458-V465 HydrophobicContact CD1-CG2 4.26Å; A459-V465 WeakPolarHBondContact O-CG2 3.15Å; D461-V465 WeakPolarHBondContact O-CG2 3.37Å; D461-V465 PolarHBondContact O-N 3.47Å; V465-H468 PolarHBondContact O-N 3.35Å; V465-I469 HydrophobicContact CG1-CD1 3.67Å; V465-I469 HydrophobicContact CG1-CG1 4.44Å; V465-I469 WeakPolarHBondContact O-CD1 3.49Å; V465-I469 VanDerWaalsContact O-CG1 3.23Å; V465-I469 WeakPolarHBondContact O-CG1 3.48Å; V465-I469 PolarHBondContact O-N 3.18Å; V465-I503 HydrophobicContact CG1-CD1 4.18Å
466	R	54.9	Low	57	Low	58 Å²	58	74.4 Å²	74.4	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-60.6	-46.4	176.6	172.9	176.5	162.6	-111.1	-11.5	112.3	F462 H468 I469 L470 M494	F462-R466 WeakPolarHBondContact O-CB 3.37Å; F462-R466 PolarHBondContact O-N 3.48Å; R466-H468 VanDerWaalsContact C-N 3.31Å; R466-H468 PolarHBondContact O-N 3.22Å; R466-I469 PolarHBondContact O-N 3.25Å; R466-L470 HydrophobicContact CG-CD1 4.19Å; R466-L470 VanDerWaalsContact O-CG 3.3Å; R466-L470 WeakPolarHBondContact O-CG 3.41Å; R466-L470 PolarHBondContact O-N 3.13Å; R466-M494 HydrophobicContact CG-SD 4.17Å
467	N	57.9	Low	56.5	Low	89 Å²	89	70.5 Å²	70.5	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-40.9	179.2	-71.2	-0.9	0	0	0	110.5	H463 I469 L470 D471	H463-N467 VanDerWaalsContact O-CB 3.32Å; H463-N467 WeakPolarHBondContact O-CB 3.45Å; H463-N467 PolarHBondContact O-N 2.78Å; H463-N467 PolarHBondContact O-OD1 3.31Å; N467-I469 PolarHBondContact O-N 3.14Å; N467-L470 WeakPolarHBondContact O-CB 3.07Å; N467-L470 PolarHBondContact O-N 2.92Å; N467-L470 VanDerWaalsContact O-N 3.1Å; N467-D471 PolarHBondContact O-N 3.25Å
468	H	61.5	Low	56.5	Low	11 Å²	11	70.2 Å²	70.2	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-35	174.7	-172.6	49.4	0	0	0	113.8	C451 C454 L458 T464 V465 R466 L470 D471 H472	C451-H468 PolarHBondContact SG-NE2 3.28Å; C454-H468 VanDerWaalsContact SG-CE1 3.58Å; L458-H468 HydrophobicContact CD1-CB 4.43Å; L458-H468 HydrophobicContact CD2-CB 3.92Å; T464-H468 WeakPolarHBondContact O-CB 3.2Å; T464-H468 PolarHBondContact O-N 3.1Å; V465-H468 PolarHBondContact O-N 3.35Å; R466-H468 VanDerWaalsContact C-N 3.31Å; R466-H468 PolarHBondContact O-N 3.22Å; H468-L470 VanDerWaalsContact C-N 3.26Å; H468-L470 PolarHBondContact O-N 3.18Å; H468-D471 IonicContact CE1-OD2 3.6Å; H468-D471 IonicContact CG-OD2 2.67Å; H468-D471 IonicContact ND1-OD2 3.05Å; H468-D471 PolarHBondContact ND1-OD2 3.36Å; H468-D471 VanDerWaalsContact O-CB 3.27Å; H468-D471 WeakPolarHBondContact O-CB 3.32Å; H468-D471 PolarHBondContact O-N 3.36Å; H468-D471 VanDerWaalsContact O-N 3.17Å; H468-H472 AromaticContact CD2-CD2 3.98Å; H468-H472 AromaticContact CD2-NE2 3.95Å; H468-H472 AromaticContact CE1-CD2 3.64Å; H468-H472 AromaticContact CE1-NE2 3.12Å; H468-H472 PolarHBondContact CE1-NE2 3.34Å; H468-H472 AromaticContact NE2-CD2 3.47Å; H468-H472 PolarHBondContact NE2-CD2 3.18Å; H468-H472 AromaticContact NE2-NE2 3Å; H468-H472 PolarHBondContact NE2-NE2 3.39Å; H468-H472 PolarHBondContact O-CD2 2.78Å; H468-H472 VanDerWaalsContact O-CD2 3.3Å; H468-H472 PolarHBondContact O-N 3.46Å
469	I	62.4	Low	56.4	Low	5 Å²	5	70.4 Å²	70.4	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-34.8	172.3	-69.8	158.2	0	0	0	111	V465 R466 N467 D471 H472 V473 M494 T497 L498 L501	V465-I469 HydrophobicContact CG1-CD1 3.67Å; V465-I469 HydrophobicContact CG1-CG1 4.44Å; V465-I469 WeakPolarHBondContact O-CD1 3.49Å; V465-I469 VanDerWaalsContact O-CG1 3.23Å; V465-I469 WeakPolarHBondContact O-CG1 3.48Å; V465-I469 PolarHBondContact O-N 3.18Å; R466-I469 PolarHBondContact O-N 3.25Å; N467-I469 PolarHBondContact O-N 3.14Å; I469-D471 VanDerWaalsContact C-N 3.26Å; I469-D471 PolarHBondContact O-N 2.95Å; I469-H472 CarbonylContact O-C 3.59Å; I469-H472 WeakPolarHBondContact O-CA 3.38Å; I469-H472 PolarHBondContact O-N 3.42Å; I469-V473 HydrophobicContact CG2-CG2 4.12Å; I469-V473 WeakPolarHBondContact O-CB 3.46Å; I469-V473 VanDerWaalsContact O-CG2 3.28Å; I469-V473 WeakPolarHBondContact O-CG2 3.37Å; I469-V473 PolarHBondContact O-N 3.19Å; I469-M494 HydrophobicContact CG2-CG 3.94Å; I469-T497 WeakPolarHBondContact CG2-OG1 3.48Å; I469-L498 HydrophobicContact CD1-CD1 4.5Å; I469-L498 HydrophobicContact CD1-CD2 3.5Å; I469-L498 HydrophobicContact CD1-CG 3.82Å; I469-L501 HydrophobicContact CG1-CD1 3.68Å
470	L	64.2	Low	56.6	Low	40 Å²	40	68 Å²	68	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-25.2	174.9	-64.5	165.7	0	0	0	112.4	R466 N467 H468 H472 V473 L475 L490	R466-L470 HydrophobicContact CG-CD1 4.19Å; R466-L470 VanDerWaalsContact O-CG 3.3Å; R466-L470 WeakPolarHBondContact O-CG 3.41Å; R466-L470 PolarHBondContact O-N 3.13Å; N467-L470 WeakPolarHBondContact O-CB 3.07Å; N467-L470 PolarHBondContact O-N 2.92Å; N467-L470 VanDerWaalsContact O-N 3.1Å; H468-L470 VanDerWaalsContact C-N 3.26Å; H468-L470 PolarHBondContact O-N 3.18Å; L470-H472 VanDerWaalsContact C-N 3.3Å; L470-V473 PolarHBondContact O-N 2.63Å; L470-L475 HydrophobicContact CD2-CD1 4.3Å; L470-L475 HydrophobicContact CD2-CD2 3.82Å; L470-L475 HydrophobicContact CD2-CG 4.47Å; L470-L490 HydrophobicContact CD2-CD1 4.33Å
471	D	63.1	Low	57.1	Low	110 Å²	110	63.7 Å²	63.7	59%	0.588	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-36	168	-55.3	-29.6	0	0	0	111.8	N467 H468 I469 V473	N467-D471 PolarHBondContact O-N 3.25Å; H468-D471 IonicContact CE1-OD2 3.6Å; H468-D471 IonicContact CG-OD2 2.67Å; H468-D471 IonicContact ND1-OD2 3.05Å; H468-D471 PolarHBondContact ND1-OD2 3.36Å; H468-D471 VanDerWaalsContact O-CB 3.27Å; H468-D471 WeakPolarHBondContact O-CB 3.32Å; H468-D471 PolarHBondContact O-N 3.36Å; H468-D471 VanDerWaalsContact O-N 3.17Å; I469-D471 VanDerWaalsContact C-N 3.26Å; I469-D471 PolarHBondContact O-N 2.95Å; D471-V473 VanDerWaalsContact C-N 3.34Å
472	H	60	Low	57.9	Low	30 Å²	30	61.9 Å²	61.9	14%	0.139	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10	-179	-67.1	-68.6	0	0	0	113.6	H468 I469 L470 G481 V482	H468-H472 AromaticContact CD2-CD2 3.98Å; H468-H472 AromaticContact CD2-NE2 3.95Å; H468-H472 AromaticContact CE1-CD2 3.64Å; H468-H472 AromaticContact CE1-NE2 3.12Å; H468-H472 PolarHBondContact CE1-NE2 3.34Å; H468-H472 AromaticContact NE2-CD2 3.47Å; H468-H472 PolarHBondContact NE2-CD2 3.18Å; H468-H472 AromaticContact NE2-NE2 3Å; H468-H472 PolarHBondContact NE2-NE2 3.39Å; H468-H472 PolarHBondContact O-CD2 2.78Å; H468-H472 VanDerWaalsContact O-CD2 3.3Å; H468-H472 PolarHBondContact O-N 3.46Å; I469-H472 CarbonylContact O-C 3.59Å; I469-H472 WeakPolarHBondContact O-CA 3.38Å; I469-H472 PolarHBondContact O-N 3.42Å; L470-H472 VanDerWaalsContact C-N 3.3Å; H472-G481 WeakPolarHBondContact O-CA 3.43Å; H472-G481 PolarHBondContact O-N 3.4Å; H472-V482 HydrophobicContact CB-CG2 4.19Å
473	V	62.2	Low	58.7	Low	9 Å²	9	57.6 Å²	57.6	6%	0.055	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.6	-177	163.2	0	0	0	0	109.6	I469 L470 D471 L475 L490 L493 T497	I469-V473 HydrophobicContact CG2-CG2 4.12Å; I469-V473 WeakPolarHBondContact O-CB 3.46Å; I469-V473 VanDerWaalsContact O-CG2 3.28Å; I469-V473 WeakPolarHBondContact O-CG2 3.37Å; I469-V473 PolarHBondContact O-N 3.19Å; L470-V473 PolarHBondContact O-N 2.63Å; D471-V473 VanDerWaalsContact C-N 3.34Å; V473-L475 HydrophobicContact CG1-CD2 3.76Å; V473-L475 HydrophobicContact CG1-CG 4.16Å; V473-L475 PolarHBondContact O-N 2.98Å; V473-L490 HydrophobicContact CG1-CD1 4.3Å; V473-L493 HydrophobicContact CG1-CD2 3.5Å; V473-L493 VanDerWaalsContact CG1-CD2 3.5Å; V473-L493 HydrophobicContact CG1-CG 3.8Å; V473-L493 HydrophobicContact CG2-CD1 4.43Å; V473-L493 HydrophobicContact CG2-CG 4.09Å; V473-T497 HydrophobicContact CG2-CG2 3.45Å; V473-T497 VanDerWaalsContact CG2-CG2 3.45Å
474	N	59.8	Low	59.2	Low	79 Å²	79	57.5 Å²	57.5	42%	0.422	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	91.7	172.5	-173	-21.1	0	0	0	109.6	K476 S477 Q478 T479	N474-K476 PolarHBondContact O-N 3.3Å; N474-K476 VanDerWaalsContact O-N 3.13Å; N474-K476 PolarHBondContact OD1-N 2.97Å; N474-K476 VanDerWaalsContact OD1-N 3.14Å; N474-S477 VanDerWaalsContact CB-OG 3.25Å; N474-S477 WeakPolarHBondContact CB-OG 3.23Å; N474-S477 PolarHBondContact ND2-OG 3.45Å; N474-S477 PolarHBondContact O-N 3.48Å; N474-S477 PolarHBondContact O-OG 3.39Å; N474-S477 PolarHBondContact OD1-N 2.9Å; N474-S477 PolarHBondContact OD1-OG 3.49Å; N474-Q478 WeakPolarHBondContact O-CA 3.28Å; N474-Q478 PolarHBondContact O-N 2.93Å; N474-T479 PolarHBondContact N-O 2.97Å; N474-T479 PolarHBondContact O-N 3.34Å
475	L	58	Low	59.1	Low	96 Å²	96	58.6 Å²	58.6	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.5	-178.9	-67.1	171.1	0	0	0	114.3	L470 V473 L490	L470-L475 HydrophobicContact CD2-CD1 4.3Å; L470-L475 HydrophobicContact CD2-CD2 3.82Å; L470-L475 HydrophobicContact CD2-CG 4.47Å; V473-L475 HydrophobicContact CG1-CD2 3.76Å; V473-L475 HydrophobicContact CG1-CG 4.16Å; V473-L475 PolarHBondContact O-N 2.98Å; L475-L490 HydrophobicContact CD2-CD1 3.42Å; L475-L490 VanDerWaalsContact CD2-CD1 3.42Å; L475-L490 HydrophobicContact CD2-CD2 4.38Å
476	K	52.8	Low	58.8	Low	204 Å²	204	65.9 Å²	65.9	89%	0.887	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-35.6	-179.3	-67.1	-177	177.8	179.1	0	112.7	N474	N474-K476 PolarHBondContact O-N 3.3Å; N474-K476 VanDerWaalsContact O-N 3.13Å; N474-K476 PolarHBondContact OD1-N 2.97Å; N474-K476 VanDerWaalsContact OD1-N 3.14Å
477	S	54	Low	58.6	Low	28 Å²	28	64.2 Å²	64.2	20%	0.196	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-21.8	175.6	55.5	0	0	0	0	113.2	N474 T479 R486	N474-S477 VanDerWaalsContact CB-OG 3.25Å; N474-S477 WeakPolarHBondContact CB-OG 3.23Å; N474-S477 PolarHBondContact ND2-OG 3.45Å; N474-S477 PolarHBondContact O-N 3.48Å; N474-S477 PolarHBondContact O-OG 3.39Å; N474-S477 PolarHBondContact OD1-N 2.9Å; N474-S477 PolarHBondContact OD1-OG 3.49Å; S477-T479 VanDerWaalsContact C-N 3.33Å; S477-T479 PolarHBondContact OG-N 3.2Å; S477-T479 PolarHBondContact OG-OG1 2.67Å; S477-R486 PolarHBondContact O-NE 2.94Å; S477-R486 PolarHBondContact O-NH2 3.04Å
478	Q	60.4	Low	57.9	Low	74 Å²	74	62.1 Å²	62.1	35%	0.346	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	38.5	-161.6	-56.9	-173.3	38.7	0	0	112.8	N474 R486 H487 L493	N474-Q478 WeakPolarHBondContact O-CA 3.28Å; N474-Q478 PolarHBondContact O-N 2.93Å; Q478-R486 WeakPolarHBondContact O-CA 3.33Å; Q478-H487 WeakPolarHBondContact CB-O 3.48Å; Q478-H487 PolarHBondContact O-N 3.24Å; Q478-L493 VanDerWaalsContact C-CD2 3.49Å; Q478-L493 HydrophobicContact CB-CD2 3.9Å
479	T	57.1	Low	57.3	Low	18 Å²	18	62.4 Å²	62.4	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147.8	172.5	58.7	0	0	0	0	112.7	N474 S477 D484 Q485 R486	N474-T479 PolarHBondContact N-O 2.97Å; N474-T479 PolarHBondContact O-N 3.34Å; S477-T479 VanDerWaalsContact C-N 3.33Å; S477-T479 PolarHBondContact OG-N 3.2Å; S477-T479 PolarHBondContact OG-OG1 2.67Å; T479-D484 WeakPolarHBondContact CG2-O 3.47Å; T479-Q485 WeakPolarHBondContact CA-O 3.32Å; T479-R486 HydrophobicContact CG2-CB 3.79Å; T479-R486 HydrophobicContact CG2-CG 3.84Å
480	C	61	Low	56.7	Low	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	116.2	171.8	172.4	0	0	0	0	109.6	V482 C483 D484 Q485 L493 T497	C480-V482 PolarHBondContact O-N 3.42Å; C480-C483 PolarHBondContact O-N 2.99Å; C480-D484 WeakPolarHBondContact O-CA 3.37Å; C480-D484 PolarHBondContact O-N 3.31Å; C480-Q485 PolarHBondContact N-O 3.41Å; C480-L493 HydrophobicContact CB-CD1 4.12Å; C480-T497 HydrophobicContact CB-CG2 3.86Å; C480-T497 VanDerWaalsContact SG-CG2 3.51Å
481	G	62.8	Low	56.1	Low	50 Å²	50	63.9 Å²	63.9	52%	0.515	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	0.4	-178.3	0	0	0	0	0	115.4	H472	H472-G481 WeakPolarHBondContact O-CA 3.43Å; H472-G481 PolarHBondContact O-N 3.4Å
482	V	62.5	Low	55.5	Low	57 Å²	57	60.9 Å²	60.9	35%	0.345	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-20.5	178.6	-170.3	0	0	0	0	112.2	A453 H472 C480 H500	A453-V482 HydrophobicContact CB-CG1 4Å; A453-V482 HydrophobicContact CB-CG2 4.06Å; H472-V482 HydrophobicContact CB-CG2 4.19Å; C480-V482 PolarHBondContact O-N 3.42Å; V482-H500 HydrophobicContact CB-CB 4.41Å; V482-H500 HydrophobicContact CG1-CB 4.13Å
483	C	62.1	Low	55.3	Low	47 Å²	47	59.5 Å²	59.5	32%	0.318	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	6	-177.6	69.2	0	0	0	0	115.1	C480 Q485 H496 H500	C480-C483 PolarHBondContact O-N 2.99Å; C483-Q485 PolarHBondContact O-N 3.03Å; C483-H496 PolarHBondContact SG-NE2 3.09Å; C483-H496 VanDerWaalsContact SG-NE2 3.37Å; C483-H500 VanDerWaalsContact SG-CE1 3.57Å; C483-H500 PolarHBondContact SG-NE2 2.87Å
484	D	60	Low	55	Low	120 Å²	120	60.1 Å²	60.1	64%	0.642	32%	0.317	S	S	*	.			trans	51.8	7.9	-175.5	-74.6	-53.3	0	0	0	117.9	T479 C480 R486	T479-D484 WeakPolarHBondContact CG2-O 3.47Å; C480-D484 WeakPolarHBondContact O-CA 3.37Å; C480-D484 PolarHBondContact O-N 3.31Å; D484-R486 PolarHBondContact O-N 3.27Å
485	Q	49.4	Very low	54.7	Low	89 Å²	89	62 Å²	62	42%	0.416	32%	0.318	S	S	.	.			trans	-60.1	134	172.1	-68.8	-165.6	9.7	0	0	111.2	T479 C480 C483 H487 H496	T479-Q485 WeakPolarHBondContact CA-O 3.32Å; C480-Q485 PolarHBondContact N-O 3.41Å; C483-Q485 PolarHBondContact O-N 3.03Å; Q485-H487 PolarHBondContact O-CD2 3.08Å; Q485-H487 VanDerWaalsContact O-CD2 3.31Å; Q485-H496 PolarHBondContact OE1-CE1 3.22Å
486	R	49.6	Very low	54.7	Low	170 Å²	170	58.4 Å²	58.4	64%	0.642	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-94.3	133.6	-178.6	-161.7	172.9	-170.8	-174.2	-0.8	111.2	S477 Q478 T479 D484	S477-R486 PolarHBondContact O-NE 2.94Å; S477-R486 PolarHBondContact O-NH2 3.04Å; Q478-R486 WeakPolarHBondContact O-CA 3.33Å; T479-R486 HydrophobicContact CG2-CB 3.79Å; T479-R486 HydrophobicContact CG2-CG 3.84Å; D484-R486 PolarHBondContact O-N 3.27Å
487	H	49.8	Very low	54.9	Low	22 Å²	22	48.7 Å²	48.7	10%	0.102	26%	0.256	C	S	.	.			trans	-120.3	159.9	-177	-69.5	-82.3	0	0	0	111.1	Q478 Q485 L493 H496	Q478-H487 WeakPolarHBondContact CB-O 3.48Å; Q478-H487 PolarHBondContact O-N 3.24Å; Q485-H487 PolarHBondContact O-CD2 3.08Å; Q485-H487 VanDerWaalsContact O-CD2 3.31Å; H487-L493 HydrophobicContact CB-CB 3.7Å; H487-L493 HydrophobicContact CB-CD1 4.03Å; H487-L493 HydrophobicContact CB-CG 4.34Å; H487-H496 AromaticContact CD2-CD2 3.75Å; H487-H496 AromaticContact CE1-CD2 3.71Å; H487-H496 AromaticContact CE1-CE1 3.78Å; H487-H496 AromaticContact CE1-CG 3.31Å; H487-H496 AromaticContact CE1-ND1 3.4Å; H487-H496 PolarHBondContact CE1-ND1 3.35Å; H487-H496 AromaticContact CE1-NE2 3.96Å; H487-H496 AromaticContact NE2-CD2 3.02Å; H487-H496 PolarHBondContact NE2-CD2 3.03Å; H487-H496 AromaticContact NE2-CE1 3.47Å; H487-H496 PolarHBondContact NE2-CE1 3.13Å; H487-H496 AromaticContact NE2-CG 3.15Å; H487-H496 AromaticContact NE2-ND1 3.45Å; H487-H496 PolarHBondContact NE2-ND1 2.99Å; H487-H496 AromaticContact NE2-NE2 3.22Å; H487-H496 PolarHBondContact NE2-NE2 3.12Å
488	L	43.4	Very low	55.1	Low	45 Å²	45	48.1 Å²	48.1	24%	0.236	25%	0.251	C	S	.	.	S	Bend	trans	-89.3	-17.8	-164.6	-63.9	65.7	0	0	0	113.8	N424	N424-L488 WeakPolarHBondContact O-CD2 3.42Å
489	N	48.9	Very low	54.9	Low	17 Å²	17	48.5 Å²	48.5	9%	0.091	26%	0.262	C	S	.	.	S	Bend	trans	-162.2	151.7	-168.2	52	-29.1	0	0	0	109.3	E419 C491 S492 L493	E419-N489 PolarHBondContact OE2-ND2 3.26Å; N489-C491 VanDerWaalsContact C-N 3.33Å; N489-C491 PolarHBondContact O-N 3.49Å; N489-S492 VanDerWaalsContact CG-OG 3.27Å; N489-S492 PolarHBondContact ND2-OG 3.06Å; N489-S492 PolarHBondContact O-N 2.87Å; N489-S492 WeakPolarHBondContact OD1-CB 3.4Å; N489-S492 PolarHBondContact OD1-OG 3.28Å; N489-L493 WeakPolarHBondContact O-CB 3.25Å; N489-L493 PolarHBondContact O-N 2.86Å
490	L	49.7	Very low	54.7	Low	52 Å²	52	51 Å²	51	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-34.4	-168.7	-178.1	56.4	0	0	0	112.5	E419 L470 V473 L475 M494	E419-L490 PolarHBondContact OE1-N 3.08Å; E419-L490 VanDerWaalsContact OE1-N 3.14Å; L470-L490 HydrophobicContact CD2-CD1 4.33Å; V473-L490 HydrophobicContact CG1-CD1 4.3Å; L475-L490 HydrophobicContact CD2-CD1 3.42Å; L475-L490 VanDerWaalsContact CD2-CD1 3.42Å; L475-L490 HydrophobicContact CD2-CD2 4.38Å; L490-M494 WeakPolarHBondContact O-CB 3.37Å; L490-M494 PolarHBondContact O-N 3.16Å
491	C	50.6	Low	54.5	Low	24 Å²	24	51.2 Å²	51.2	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-74.6	-39.1	176.2	-66.5	0	0	0	0	112.9	E419 N489 L493 M494 W495	E419-C491 VanDerWaalsContact CD-SG 3.56Å; E419-C491 HydrophobicContact CG-CB 3.9Å; E419-C491 VanDerWaalsContact CG-SG 3.51Å; E419-C491 PolarHBondContact OE1-N 3.47Å; E419-C491 WeakPolarHBondContact OE2-CB 3.47Å; N489-C491 VanDerWaalsContact C-N 3.33Å; N489-C491 PolarHBondContact O-N 3.49Å; C491-L493 VanDerWaalsContact C-N 3.3Å; C491-L493 PolarHBondContact O-N 2.88Å; C491-M494 PolarHBondContact O-N 3.33Å; C491-W495 WeakPolarHBondContact O-CB 3.33Å; C491-W495 PolarHBondContact O-N 2.99Å
492	S	51.7	Low	53.9	Low	48 Å²	48	51.9 Å²	51.9	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-38.5	174	-55	0	0	0	0	111.3	N489 W495 H496	N489-S492 VanDerWaalsContact CG-OG 3.27Å; N489-S492 PolarHBondContact ND2-OG 3.06Å; N489-S492 PolarHBondContact O-N 2.87Å; N489-S492 WeakPolarHBondContact OD1-CB 3.4Å; N489-S492 PolarHBondContact OD1-OG 3.28Å; S492-W495 PolarHBondContact O-N 3.49Å; S492-H496 WeakPolarHBondContact O-CB 3.2Å; S492-H496 PolarHBondContact O-N 3.09Å
493	L	55.6	Low	53.5	Low	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-49.2	171.8	-177.6	47.8	0	0	0	111.3	V473 Q478 C480 H487 N489 C491 H496 T497	V473-L493 HydrophobicContact CG1-CD2 3.5Å; V473-L493 VanDerWaalsContact CG1-CD2 3.5Å; V473-L493 HydrophobicContact CG1-CG 3.8Å; V473-L493 HydrophobicContact CG2-CD1 4.43Å; V473-L493 HydrophobicContact CG2-CG 4.09Å; Q478-L493 VanDerWaalsContact C-CD2 3.49Å; Q478-L493 HydrophobicContact CB-CD2 3.9Å; C480-L493 HydrophobicContact CB-CD1 4.12Å; H487-L493 HydrophobicContact CB-CB 3.7Å; H487-L493 HydrophobicContact CB-CD1 4.03Å; H487-L493 HydrophobicContact CB-CG 4.34Å; N489-L493 WeakPolarHBondContact O-CB 3.25Å; N489-L493 PolarHBondContact O-N 2.86Å; C491-L493 VanDerWaalsContact C-N 3.3Å; C491-L493 PolarHBondContact O-N 2.88Å; L493-H496 PolarHBondContact O-N 3.44Å; L493-T497 HydrophobicContact CD1-CG2 4.23Å; L493-T497 WeakPolarHBondContact O-CG2 3.49Å; L493-T497 PolarHBondContact O-N 3.23Å; L493-T497 PolarHBondContact O-OG1 2.94Å
494	M	55.7	Low	52.6	Low	23 Å²	23	52 Å²	52	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-44.9	178.3	-175.2	159.8	45.5	0	0	112.3	R466 I469 L490 C491 H496 T497 L498	R466-M494 HydrophobicContact CG-SD 4.17Å; I469-M494 HydrophobicContact CG2-CG 3.94Å; L490-M494 WeakPolarHBondContact O-CB 3.37Å; L490-M494 PolarHBondContact O-N 3.16Å; C491-M494 PolarHBondContact O-N 3.33Å; M494-H496 PolarHBondContact O-N 3.39Å; M494-T497 WeakPolarHBondContact CA-OG1 3.2Å; M494-T497 PolarHBondContact O-N 3.29Å; M494-T497 PolarHBondContact O-OG1 2.81Å; M494-L498 WeakPolarHBondContact O-CG 3.34Å; M494-L498 PolarHBondContact O-N 3.16Å
495	W	54.6	Low	52.2	Low	117 Å²	117	48.9 Å²	48.9	44%	0.443	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-38.9	172.9	-75.2	122.1	0	0	0	112.8	C491 S492 L498 S499 V505 V516	C491-W495 WeakPolarHBondContact O-CB 3.33Å; C491-W495 PolarHBondContact O-N 2.99Å; S492-W495 PolarHBondContact O-N 3.49Å; W495-L498 HydrophobicContact CD2-CD1 4.47Å; W495-L498 HydrophobicContact CE3-CD1 3.79Å; W495-L498 HydrophobicContact CZ3-CD1 4.18Å; W495-L498 WeakPolarHBondContact O-CB 3.22Å; W495-S499 PolarHBondContact O-N 3.48Å; W495-V505 HydrophobicContact CE3-CG2 4.4Å; W495-V505 HydrophobicContact CH2-CG1 4.39Å; W495-V505 HydrophobicContact CZ3-CG1 3.76Å; W495-V505 HydrophobicContact CZ3-CG2 3.96Å; W495-V516 HydrophobicContact CH2-CG2 3.87Å; W495-V516 HydrophobicContact CZ3-CG2 3.88Å
496	H	56.8	Low	52.1	Low	21 Å²	21	48.3 Å²	48.3	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-44.6	175	174.6	88.4	0	0	0	111.6	C483 Q485 H487 S492 L493 M494 L498 S499 H500	C483-H496 PolarHBondContact SG-NE2 3.09Å; C483-H496 VanDerWaalsContact SG-NE2 3.37Å; Q485-H496 PolarHBondContact OE1-CE1 3.22Å; H487-H496 AromaticContact CD2-CD2 3.75Å; H487-H496 AromaticContact CE1-CD2 3.71Å; H487-H496 AromaticContact CE1-CE1 3.78Å; H487-H496 AromaticContact CE1-CG 3.31Å; H487-H496 AromaticContact CE1-ND1 3.4Å; H487-H496 PolarHBondContact CE1-ND1 3.35Å; H487-H496 AromaticContact CE1-NE2 3.96Å; H487-H496 AromaticContact NE2-CD2 3.02Å; H487-H496 PolarHBondContact NE2-CD2 3.03Å; H487-H496 AromaticContact NE2-CE1 3.47Å; H487-H496 PolarHBondContact NE2-CE1 3.13Å; H487-H496 AromaticContact NE2-CG 3.15Å; H487-H496 AromaticContact NE2-ND1 3.45Å; H487-H496 PolarHBondContact NE2-ND1 2.99Å; H487-H496 AromaticContact NE2-NE2 3.22Å; H487-H496 PolarHBondContact NE2-NE2 3.12Å; S492-H496 WeakPolarHBondContact O-CB 3.2Å; S492-H496 PolarHBondContact O-N 3.09Å; L493-H496 PolarHBondContact O-N 3.44Å; M494-H496 PolarHBondContact O-N 3.39Å; H496-L498 VanDerWaalsContact C-N 3.32Å; H496-L498 PolarHBondContact O-N 3.35Å; H496-S499 WeakPolarHBondContact O-CB 3.41Å; H496-S499 PolarHBondContact O-N 2.99Å; H496-S499 PolarHBondContact O-OG 3.39Å; H496-H500 AromaticContact CD2-CD2 3.74Å; H496-H500 AromaticContact CD2-NE2 3.58Å; H496-H500 AromaticContact CE1-NE2 3.28Å; H496-H500 PolarHBondContact CE1-NE2 3.35Å; H496-H500 VanDerWaalsContact CE1-NE2 3.28Å; H496-H500 AromaticContact NE2-CD2 3.58Å; H496-H500 AromaticContact NE2-NE2 2.93Å; H496-H500 PolarHBondContact NE2-NE2 3.05Å; H496-H500 PolarHBondContact O-CD2 3.32Å; H496-H500 VanDerWaalsContact O-CD2 3.32Å; H496-H500 PolarHBondContact O-N 3.01Å
497	T	56.7	Low	51.6	Low	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-37.1	175.6	60.6	0	0	0	0	112.5	I469 V473 C480 L493 M494 S499 H500 L501	I469-T497 WeakPolarHBondContact CG2-OG1 3.48Å; V473-T497 HydrophobicContact CG2-CG2 3.45Å; V473-T497 VanDerWaalsContact CG2-CG2 3.45Å; C480-T497 HydrophobicContact CB-CG2 3.86Å; C480-T497 VanDerWaalsContact SG-CG2 3.51Å; L493-T497 HydrophobicContact CD1-CG2 4.23Å; L493-T497 WeakPolarHBondContact O-CG2 3.49Å; L493-T497 PolarHBondContact O-N 3.23Å; L493-T497 PolarHBondContact O-OG1 2.94Å; M494-T497 WeakPolarHBondContact CA-OG1 3.2Å; M494-T497 PolarHBondContact O-N 3.29Å; M494-T497 PolarHBondContact O-OG1 2.81Å; T497-S499 PolarHBondContact O-N 3.19Å; T497-H500 PolarHBondContact O-N 3.02Å; T497-L501 WeakPolarHBondContact O-CD1 3.41Å; T497-L501 WeakPolarHBondContact O-CG 3.31Å; T497-L501 PolarHBondContact O-N 3.17Å
498	L	58	Low	51.3	Low	17 Å²	17	43 Å²	43	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-36.1	171.3	-81.7	164.4	0	0	0	112.6	I469 M494 W495 H496 L501 G502 I503	I469-L498 HydrophobicContact CD1-CD1 4.5Å; I469-L498 HydrophobicContact CD1-CD2 3.5Å; I469-L498 HydrophobicContact CD1-CG 3.82Å; M494-L498 WeakPolarHBondContact O-CG 3.34Å; M494-L498 PolarHBondContact O-N 3.16Å; W495-L498 HydrophobicContact CD2-CD1 4.47Å; W495-L498 HydrophobicContact CE3-CD1 3.79Å; W495-L498 HydrophobicContact CZ3-CD1 4.18Å; W495-L498 WeakPolarHBondContact O-CB 3.22Å; H496-L498 VanDerWaalsContact C-N 3.32Å; H496-L498 PolarHBondContact O-N 3.35Å; L498-L501 PolarHBondContact O-N 3.41Å; L498-G502 PolarHBondContact O-N 2.65Å; L498-I503 HydrophobicContact CD2-CB 3.95Å; L498-I503 HydrophobicContact CD2-CD1 3.85Å; L498-I503 HydrophobicContact CD2-CG1 4.46Å; L498-I503 HydrophobicContact CD2-CG2 4Å; L498-I503 PolarHBondContact O-N 3.39Å
499	S	56.6	Low	51.2	Low	82 Å²	82	46.3 Å²	46.3	57%	0.573	28%	0.281	S	S	*	.	H	α-helix	trans	-69.8	-38.1	178.3	76.4	0	0	0	0	113.4	W495 H496 T497 L501 G502	W495-S499 PolarHBondContact O-N 3.48Å; H496-S499 WeakPolarHBondContact O-CB 3.41Å; H496-S499 PolarHBondContact O-N 2.99Å; H496-S499 PolarHBondContact O-OG 3.39Å; T497-S499 PolarHBondContact O-N 3.19Å; S499-L501 VanDerWaalsContact C-N 3.3Å; S499-L501 PolarHBondContact O-N 2.93Å; S499-G502 PolarHBondContact O-N 3.21Å
500	H	54	Low	50.8	Low	69 Å²	69	49.6 Å²	49.6	32%	0.319	30%	0.302	S	S	.	.	H	α-helix	trans	-68.8	-29.5	171.9	-66.8	-74.3	0	0	0	112.9	V482 C483 H496 T497 G502	V482-H500 HydrophobicContact CB-CB 4.41Å; V482-H500 HydrophobicContact CG1-CB 4.13Å; C483-H500 VanDerWaalsContact SG-CE1 3.57Å; C483-H500 PolarHBondContact SG-NE2 2.87Å; H496-H500 AromaticContact CD2-CD2 3.74Å; H496-H500 AromaticContact CD2-NE2 3.58Å; H496-H500 AromaticContact CE1-NE2 3.28Å; H496-H500 PolarHBondContact CE1-NE2 3.35Å; H496-H500 VanDerWaalsContact CE1-NE2 3.28Å; H496-H500 AromaticContact NE2-CD2 3.58Å; H496-H500 AromaticContact NE2-NE2 2.93Å; H496-H500 PolarHBondContact NE2-NE2 3.05Å; H496-H500 PolarHBondContact O-CD2 3.32Å; H496-H500 VanDerWaalsContact O-CD2 3.32Å; H496-H500 PolarHBondContact O-N 3.01Å; T497-H500 PolarHBondContact O-N 3.02Å; H500-G502 PolarHBondContact O-N 3.22Å
501	L	55.9	Low	50.4	Low	6 Å²	6	49.5 Å²	49.5	3%	0.031	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.2	179.5	-66.8	167.9	0	0	0	113.3	C451 A453 I469 T497 L498 S499 I503	C451-L501 WeakPolarHBondContact SG-CD2 3.34Å; A453-L501 HydrophobicContact CB-CD2 3.88Å; I469-L501 HydrophobicContact CG1-CD1 3.68Å; T497-L501 WeakPolarHBondContact O-CD1 3.41Å; T497-L501 WeakPolarHBondContact O-CG 3.31Å; T497-L501 PolarHBondContact O-N 3.17Å; L498-L501 PolarHBondContact O-N 3.41Å; S499-L501 VanDerWaalsContact C-N 3.3Å; S499-L501 PolarHBondContact O-N 2.93Å; L501-I503 VanDerWaalsContact C-N 3.26Å; L501-I503 HydrophobicContact CB-CD1 4.1Å; L501-I503 HydrophobicContact CB-CG1 4.24Å; L501-I503 PolarHBondContact O-N 3.5Å
502	G	50.2	Low	49.6	Very low	64 Å²	64	51.7 Å²	51.7	66%	0.66	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	14.1	177.2	0	0	0	0	0	114.7	L498 S499 H500	L498-G502 PolarHBondContact O-N 2.65Å; S499-G502 PolarHBondContact O-N 3.21Å; H500-G502 PolarHBondContact O-N 3.22Å
503	I	53.2	Low	48.9	Very low	25 Å²	25	53.3 Å²	53.3	13%	0.128	33%	0.33	C	S	.	.			trans	-84.9	116.7	-176.5	-61	171.8	0	0	0	108.4	L449 V465 L498 L501 V516	L449-I503 HydrophobicContact CD1-CG1 4.4Å; L449-I503 HydrophobicContact CD2-CD1 4.18Å; L449-I503 HydrophobicContact CD2-CG1 4.47Å; V465-I503 HydrophobicContact CG1-CD1 4.18Å; L498-I503 HydrophobicContact CD2-CB 3.95Å; L498-I503 HydrophobicContact CD2-CD1 3.85Å; L498-I503 HydrophobicContact CD2-CG1 4.46Å; L498-I503 HydrophobicContact CD2-CG2 4Å; L498-I503 PolarHBondContact O-N 3.39Å; L501-I503 VanDerWaalsContact C-N 3.26Å; L501-I503 HydrophobicContact CB-CD1 4.1Å; L501-I503 HydrophobicContact CB-CG1 4.24Å; L501-I503 PolarHBondContact O-N 3.5Å; I503-V516 HydrophobicContact CG2-CG1 4.49Å
504	S	45.1	Very low	48.2	Very low	80 Å²	80	56.4 Å²	56.4	56%	0.559	35%	0.351	S	S	*	.			trans	-71.4	144.4	-170.7	47.7	0	0	0	0	113.7
505	V	51.3	Low	47.7	Very low	55 Å²	55	57.3 Å²	57.3	33%	0.333	36%	0.355	S	S	.	.			trans	-137.3	128.1	-179.9	-171	0	0	0	0	108.5	W495 F515	W495-V505 HydrophobicContact CE3-CG2 4.4Å; W495-V505 HydrophobicContact CH2-CG1 4.39Å; W495-V505 HydrophobicContact CZ3-CG1 3.76Å; W495-V505 HydrophobicContact CZ3-CG2 3.96Å; V505-F515 CarbonylContact C-O 3.56Å; V505-F515 WeakPolarHBondContact CA-O 3.21Å; V505-F515 VanDerWaalsContact CG1-O 3.31Å; V505-F515 WeakPolarHBondContact CG1-O 3.21Å
506	F	47.6	Very low	47.3	Very low	78 Å²	78	55.3 Å²	55.3	34%	0.342	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.1	-175.2	-51.8	-92.3	0	0	0	110.8	S514 F515 R518 L521	F506-S514 CarbonylContact O-C 3.58Å; F506-S514 WeakPolarHBondContact O-CA 3.45Å; F506-F515 PolarHBondContact N-O 2.78Å; F506-F515 PolarHBondContact O-N 3.31Å; F506-R518 HydrophobicContact CD1-CB 4.04Å; F506-R518 HydrophobicContact CD2-CB 4.05Å; F506-R518 VanDerWaalsContact CD2-N 3.28Å; F506-R518 HydrophobicContact CE1-CB 4.02Å; F506-R518 HydrophobicContact CE2-CB 4.04Å; F506-R518 HydrophobicContact CG-CB 4.05Å; F506-R518 HydrophobicContact CZ-CB 4.02Å; F506-L521 HydrophobicContact CB-CD2 3.78Å
507	S	38.5	Very low	46.7	Very low	78 Å²	78	58.3 Å²	58.3	55%	0.545	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.2	-174.9	58.8	0	0	0	0	114.6	N513 L521	S507-N513 CarbonylContact C-O 3.53Å; S507-N513 WeakPolarHBondContact CA-O 3.47Å; S507-L521 WeakPolarHBondContact O-CD2 3.39Å
508	C	43.6	Very low	46	Very low	2 Å²	2	65.3 Å²	65.3	1%	0.014	40%	0.398	C	S	.	.			trans	-85.8	122.4	-178.8	-175.4	0	0	0	0	112.1	V510 C511 A512 N513 F515 L521 L525	C508-V510 VanDerWaalsContact C-N 3.29Å; C508-V510 PolarHBondContact O-N 2.79Å; C508-C511 VanDerWaalsContact CB-SG 3.6Å; C508-C511 PolarHBondContact SG-SG 3.24Å; C508-A512 WeakPolarHBondContact O-CA 3.47Å; C508-A512 PolarHBondContact O-N 2.83Å; C508-N513 HydrophobicContact CB-CB 4.43Å; C508-N513 PolarHBondContact N-O 2.92Å; C508-F515 HydrophobicContact CB-CE2 4.25Å; C508-L521 VanDerWaalsContact CA-CD1 3.43Å; C508-L521 HydrophobicContact CB-CD1 3.46Å; C508-L521 VanDerWaalsContact CB-CD1 3.46Å; C508-L525 WeakPolarHBondContact SG-CD2 3.49Å
509	S	40.2	Very low	45.4	Very low	114 Å²	114	69.6 Å²	69.6	80%	0.797	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.8	179.8	50.2	0	0	0	0	114.7
510	V	41.5	Very low	45	Very low	87 Å²	87	70.3 Å²	70.3	53%	0.527	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-25.2	-176.7	-175.1	0	0	0	0	112.6	C508 L525 H528	C508-V510 VanDerWaalsContact C-N 3.29Å; C508-V510 PolarHBondContact O-N 2.79Å; V510-L525 HydrophobicContact CB-CD2 4.45Å; V510-L525 HydrophobicContact CG2-CD2 3.72Å; V510-H528 HydrophobicContact CG1-CB 4.42Å
511	C	41.2	Very low	44.6	Very low	49 Å²	49	68 Å²	68	33%	0.331	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	4.1	-170.2	66.5	0	0	0	0	115.5	C508 N513 H524	C508-C511 VanDerWaalsContact CB-SG 3.6Å; C508-C511 PolarHBondContact SG-SG 3.24Å; C511-N513 PolarHBondContact O-N 3.42Å; C511-N513 VanDerWaalsContact O-N 3.1Å; C511-N513 PolarHBondContact SG-ND2 3.33Å; C511-N513 VanDerWaalsContact SG-ND2 3.38Å; C511-H524 PolarHBondContact SG-NE2 3.06Å
512	A	33.8	Very low	44.2	Very low	70 Å²	70	71.3 Å²	71.3	58%	0.579	42%	0.42	S	S	*	.			trans	61.4	4.7	-178.2	0	0	0	0	0	117.5	C508	C508-A512 WeakPolarHBondContact O-CA 3.47Å; C508-A512 PolarHBondContact O-N 2.83Å
513	N	37.8	Very low	44.1	Very low	82 Å²	82	74.9 Å²	74.9	44%	0.439	42%	0.417	S	S	.	.			trans	-60.3	140.6	174.3	-75.1	-32.3	0	0	0	112.3	S507 C508 C511 F515 H524	S507-N513 CarbonylContact C-O 3.53Å; S507-N513 WeakPolarHBondContact CA-O 3.47Å; C508-N513 HydrophobicContact CB-CB 4.43Å; C508-N513 PolarHBondContact N-O 2.92Å; C511-N513 PolarHBondContact O-N 3.42Å; C511-N513 VanDerWaalsContact O-N 3.1Å; C511-N513 PolarHBondContact SG-ND2 3.33Å; C511-N513 VanDerWaalsContact SG-ND2 3.38Å; N513-F515 HydrophobicContact CB-CE2 3.68Å; N513-F515 HydrophobicContact CB-CZ 3.91Å; N513-F515 WeakPolarHBondContact O-CE2 3.41Å; N513-H524 PolarHBondContact ND2-NE2 2.75Å
514	S	40.1	Very low	43.8	Very low	65 Å²	65	75.8 Å²	75.8	46%	0.455	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142	-176.3	-64.4	0	0	0	0	113	F506	F506-S514 CarbonylContact O-C 3.58Å; F506-S514 WeakPolarHBondContact O-CA 3.45Å
515	F	45.8	Very low	43.9	Very low	43 Å²	43	74.6 Å²	74.6	19%	0.189	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.6	-167.3	-60	-91.4	0	0	0	111.1	V505 F506 C508 N513 D517 L520 L521 H524	V505-F515 CarbonylContact C-O 3.56Å; V505-F515 WeakPolarHBondContact CA-O 3.21Å; V505-F515 VanDerWaalsContact CG1-O 3.31Å; V505-F515 WeakPolarHBondContact CG1-O 3.21Å; F506-F515 PolarHBondContact N-O 2.78Å; F506-F515 PolarHBondContact O-N 3.31Å; C508-F515 HydrophobicContact CB-CE2 4.25Å; N513-F515 HydrophobicContact CB-CE2 3.68Å; N513-F515 HydrophobicContact CB-CZ 3.91Å; N513-F515 WeakPolarHBondContact O-CE2 3.41Å; F515-D517 PolarHBondContact O-N 3.05Å; F515-L520 HydrophobicContact CD1-CB 4.05Å; F515-L521 HydrophobicContact CB-CB 4.28Å; F515-L521 HydrophobicContact CD2-CB 3.82Å; F515-L521 HydrophobicContact CD2-CD1 3.98Å; F515-L521 HydrophobicContact CD2-CG 4.44Å; F515-L521 HydrophobicContact CE2-CB 4.46Å; F515-L521 HydrophobicContact CE2-CD1 4.02Å; F515-L521 HydrophobicContact CG-CB 4.1Å; F515-H524 HydrophobicContact CE1-CB 4.28Å; F515-H524 HydrophobicContact CE2-CB 4.35Å; F515-H524 AromaticContact CE2-CD2 3.64Å; F515-H524 HydrophobicContact CZ-CB 3.77Å; F515-H524 AromaticContact CZ-CD2 3.34Å; F515-H524 WeakPolarHBondContact CZ-CD2 3.34Å; F515-H524 AromaticContact CZ-CG 3.62Å
516	V	45.3	Very low	43.9	Very low	74 Å²	74	74.6 Å²	74.6	45%	0.448	41%	0.413	S	S	.	.	S	Bend	trans	-72.5	-16.3	179.6	-166.1	0	0	0	0	112.5	W495 I503	W495-V516 HydrophobicContact CH2-CG2 3.87Å; W495-V516 HydrophobicContact CZ3-CG2 3.88Å; I503-V516 HydrophobicContact CG2-CG1 4.49Å
517	D	43.9	Very low	43.9	Very low	85 Å²	85	76.1 Å²	76.1	46%	0.455	43%	0.429	S	S	.	.	S	Bend	trans	-129.4	135.1	176.2	179.4	13.5	0	0	0	111	F515 H519 L520	F515-D517 PolarHBondContact O-N 3.05Å; D517-H519 VanDerWaalsContact C-N 3.27Å; D517-H519 PolarHBondContact O-N 3.04Å; D517-H519 PolarHBondContact OD1-N 3.41Å; D517-H519 VanDerWaalsContact OD1-N 3.17Å; D517-L520 HydrophobicContact CB-CD1 4.32Å; D517-L520 HydrophobicContact CB-CG 4.48Å; D517-L520 PolarHBondContact O-N 3.06Å
518	R	42.7	Very low	44.4	Very low	146 Å²	146	76.8 Å²	76.8	55%	0.551	42%	0.423	S	S	*	.	H	α-helix	trans	-58.7	-36.4	178.7	176	178	169.2	136	8.7	112.2	F506 L520 L521 E522	F506-R518 HydrophobicContact CD1-CB 4.04Å; F506-R518 HydrophobicContact CD2-CB 4.05Å; F506-R518 VanDerWaalsContact CD2-N 3.28Å; F506-R518 HydrophobicContact CE1-CB 4.02Å; F506-R518 HydrophobicContact CE2-CB 4.04Å; F506-R518 HydrophobicContact CG-CB 4.05Å; F506-R518 HydrophobicContact CZ-CB 4.02Å; R518-L520 VanDerWaalsContact C-N 3.26Å; R518-L520 PolarHBondContact O-N 3.35Å; R518-L521 WeakPolarHBondContact O-CB 3.25Å; R518-L521 PolarHBondContact O-N 2.94Å; R518-E522 IonicContact CZ-OE1 3.98Å; R518-E522 VanDerWaalsContact CZ-OE1 3.31Å; R518-E522 IonicContact NE-OE1 3.74Å; R518-E522 PolarHBondContact NE-OE1 3.42Å; R518-E522 IonicContact NH2-OE1 2.78Å; R518-E522 PolarHBondContact NH2-OE1 3.2Å; R518-E522 PolarHBondContact O-N 2.84Å
519	H	46	Very low	44.6	Very low	108 Å²	108	84 Å²	84	50%	0.5	46%	0.457	S	S	.	.	H	α-helix	trans	-76.2	-16.6	-173.9	-150.5	50	0	0	0	113.2	D517 E522	D517-H519 VanDerWaalsContact C-N 3.27Å; D517-H519 PolarHBondContact O-N 3.04Å; D517-H519 PolarHBondContact OD1-N 3.41Å; D517-H519 VanDerWaalsContact OD1-N 3.17Å; H519-E522 IonicContact CE1-OE2 3.78Å; H519-E522 IonicContact ND1-OE2 2.93Å; H519-E522 PolarHBondContact ND1-OE2 3.34Å
520	L	46.9	Very low	44.9	Very low	97 Å²	97	86 Å²	86	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-78.1	-37.6	168	-66.1	173.6	0	0	0	111.8	F515 D517 R518 K523 H524	F515-L520 HydrophobicContact CD1-CB 4.05Å; D517-L520 HydrophobicContact CB-CD1 4.32Å; D517-L520 HydrophobicContact CB-CG 4.48Å; D517-L520 PolarHBondContact O-N 3.06Å; R518-L520 VanDerWaalsContact C-N 3.26Å; R518-L520 PolarHBondContact O-N 3.35Å; L520-K523 PolarHBondContact O-N 3.07Å; L520-H524 PolarHBondContact O-N 3.4Å
521	L	46.6	Very low	45	Very low	19 Å²	19	89.7 Å²	89.7	10%	0.099	47%	0.472	C	S	.	.	H	α-helix	trans	-62.2	-45.1	173.8	165.1	60.6	0	0	0	111.8	F506 S507 C508 F515 R518 K523 H524 L525	F506-L521 HydrophobicContact CB-CD2 3.78Å; S507-L521 WeakPolarHBondContact O-CD2 3.39Å; C508-L521 VanDerWaalsContact CA-CD1 3.43Å; C508-L521 HydrophobicContact CB-CD1 3.46Å; C508-L521 VanDerWaalsContact CB-CD1 3.46Å; F515-L521 HydrophobicContact CB-CB 4.28Å; F515-L521 HydrophobicContact CD2-CB 3.82Å; F515-L521 HydrophobicContact CD2-CD1 3.98Å; F515-L521 HydrophobicContact CD2-CG 4.44Å; F515-L521 HydrophobicContact CE2-CB 4.46Å; F515-L521 HydrophobicContact CE2-CD1 4.02Å; F515-L521 HydrophobicContact CG-CB 4.1Å; R518-L521 WeakPolarHBondContact O-CB 3.25Å; R518-L521 PolarHBondContact O-N 2.94Å; L521-K523 VanDerWaalsContact C-N 3.29Å; L521-K523 PolarHBondContact O-N 3.1Å; L521-H524 WeakPolarHBondContact O-CB 3.16Å; L521-H524 PolarHBondContact O-N 3.02Å; L521-L525 HydrophobicContact CD1-CD1 4.13Å; L521-L525 HydrophobicContact CD1-CG 4.26Å; L521-L525 HydrophobicContact CG-CD1 4.35Å; L521-L525 PolarHBondContact O-N 2.77Å; L521-L525 VanDerWaalsContact O-N 3.1Å
522	E	46.7	Very low	45.1	Very low	77 Å²	77	96.4 Å²	96.4	36%	0.36	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-38	178.4	-72.5	167.1	168.3	0	0	111.8	R518 H519	R518-E522 IonicContact CZ-OE1 3.98Å; R518-E522 VanDerWaalsContact CZ-OE1 3.31Å; R518-E522 IonicContact NE-OE1 3.74Å; R518-E522 PolarHBondContact NE-OE1 3.42Å; R518-E522 IonicContact NH2-OE1 2.78Å; R518-E522 PolarHBondContact NH2-OE1 3.2Å; R518-E522 PolarHBondContact O-N 2.84Å; H519-E522 IonicContact CE1-OE2 3.78Å; H519-E522 IonicContact ND1-OE2 2.93Å; H519-E522 PolarHBondContact ND1-OE2 3.34Å
523	K	48.6	Very low	45.6	Very low	139 Å²	139	101.4 Å²	101.4	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-70.5	-30.3	173.4	-71.4	176.8	-178.7	177.1	0	113.6	L520 L521	L520-K523 PolarHBondContact O-N 3.07Å; L521-K523 VanDerWaalsContact C-N 3.29Å; L521-K523 PolarHBondContact O-N 3.1Å
524	H	47.1	Very low	46.3	Very low	44 Å²	44	99 Å²	99	20%	0.204	50%	0.502	C	S	.	.	H	α-helix	trans	-69.7	-38.9	176.6	-179.1	44	0	0	0	112.3	C511 N513 F515 L520 L521 A526 V527	C511-H524 PolarHBondContact SG-NE2 3.06Å; N513-H524 PolarHBondContact ND2-NE2 2.75Å; F515-H524 HydrophobicContact CE1-CB 4.28Å; F515-H524 HydrophobicContact CE2-CB 4.35Å; F515-H524 AromaticContact CE2-CD2 3.64Å; F515-H524 HydrophobicContact CZ-CB 3.77Å; F515-H524 AromaticContact CZ-CD2 3.34Å; F515-H524 WeakPolarHBondContact CZ-CD2 3.34Å; F515-H524 AromaticContact CZ-CG 3.62Å; L520-H524 PolarHBondContact O-N 3.4Å; L521-H524 WeakPolarHBondContact O-CB 3.16Å; L521-H524 PolarHBondContact O-N 3.02Å; H524-A526 VanDerWaalsContact C-N 3.3Å; H524-A526 PolarHBondContact O-N 3.18Å; H524-V527 WeakPolarHBondContact O-CB 3.44Å; H524-V527 WeakPolarHBondContact O-CG2 3.39Å; H524-V527 PolarHBondContact O-N 3.48Å
525	L	46.8	Very low	47	Very low	55 Å²	55	101 Å²	101	29%	0.288	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-35	-180	-77.4	162.4	0	0	0	113.1	C508 V510 L521 V527 H528	C508-L525 WeakPolarHBondContact SG-CD2 3.49Å; V510-L525 HydrophobicContact CB-CD2 4.45Å; V510-L525 HydrophobicContact CG2-CD2 3.72Å; L521-L525 HydrophobicContact CD1-CD1 4.13Å; L521-L525 HydrophobicContact CD1-CG 4.26Å; L521-L525 HydrophobicContact CG-CD1 4.35Å; L521-L525 PolarHBondContact O-N 2.77Å; L521-L525 VanDerWaalsContact O-N 3.1Å; L525-V527 PolarHBondContact O-N 3.47Å; L525-H528 PolarHBondContact O-N 3.12Å
526	A	51.9	Low	47.3	Very low	54 Å²	54	103 Å²	103	45%	0.446	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-61.4	-25.6	177.7	0	0	0	0	0	113.8	H524 H528 Q529	H524-A526 VanDerWaalsContact C-N 3.3Å; H524-A526 PolarHBondContact O-N 3.18Å; A526-H528 PolarHBondContact O-N 3.08Å; A526-Q529 PolarHBondContact O-N 3.15Å
527	V	47.9	Very low	47.5	Very low	111 Å²	111	103.7 Å²	103.7	67%	0.673	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-64.2	-22.2	179	-176.6	0	0	0	0	112	H524 L525	H524-V527 WeakPolarHBondContact O-CB 3.44Å; H524-V527 WeakPolarHBondContact O-CG2 3.39Å; H524-V527 PolarHBondContact O-N 3.48Å; L525-V527 PolarHBondContact O-N 3.47Å
528	H	47.5	Very low	47.9	Very low	91 Å²	91	99.7 Å²	99.7	42%	0.421	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-83.5	-2.7	-179.9	-69.4	-79.8	0	0	0	114.6	V510 L525 A526	V510-H528 HydrophobicContact CG1-CB 4.42Å; L525-H528 PolarHBondContact O-N 3.12Å; A526-H528 PolarHBondContact O-N 3.08Å
529	Q	47.5	Very low	48.1	Very low	155 Å²	155	101 Å²	101	72%	0.724	50%	0.501	S	S	*	.	S	Bend	trans	-97.6	-9.8	-166.1	-67.6	-175.2	-42.8	0	0	116.8	A526	A526-Q529 PolarHBondContact O-N 3.15Å
530	N	46.5	Very low	47.9	Very low	155 Å²	155	102.4 Å²	102.4	83%	0.829	51%	0.505	S	S	*	.			trans	-114.8	91.9	-176.3	-79.3	-17.4	0	0	0	112.6
531	M	44	Very low	48.2	Very low	165 Å²	165	100.6 Å²	100.6	81%	0.813	50%	0.501	S	S	*	.			trans	-150	32.8	-173.1	-104.9	-74.2	-85.4	0	0	116.8
532	E	43.9	Very low	48.2	Very low	190 Å²	190	101 Å²	101	89%	0.888	51%	0.51	S	S	*	.			trans	-112.9	162.2	177.3	-60.5	-158.5	131.8	0	0	114.3
533	E	44.8	Very low	48.2	Very low	174 Å²	174	102.1 Å²	102.1	81%	0.813	52%	0.515	S	S	*	.	S	Bend	trans	70	170.3	-175.4	-58.5	-141.2	147.9	0	0	119.2	K546	E533-K546 WeakPolarHBondContact O-CD 3.45Å; E533-K546 WeakPolarHBondContact O-CE 3.29Å; E533-K546 PolarHBondContact O-NZ 2.97Å
534	A	50.8	Low	48	Very low	33 Å²	33	98.7 Å²	98.7	27%	0.273	51%	0.508	S	S	.	.			trans	-134.6	119.4	-147.2	0	0	0	0	0	114.6	H202 Q203 K546	H202-A534 WeakPolarHBondContact O-CB 3.23Å; Q203-A534 WeakPolarHBondContact CG-O 3.38Å; A534-K546 HydrophobicContact CB-CD 4.03Å; A534-K546 HydrophobicContact CB-CG 3.69Å
535	L	56.5	Low	48.5	Very low	106 Å²	106	97.7 Å²	97.7	56%	0.555	50%	0.503	S	S	*	.			trans	-93.8	-45.3	-148.4	-67.4	176	0	0	0	121.2	Q203 K546 L547	Q203-L535 PolarHBondContact NE2-O 3.47Å; L535-K546 HydrophobicContact CB-CB 4.24Å; L535-K546 VanDerWaalsContact N-CB 3.35Å; L535-L547 HydrophobicContact CD1-CD1 3.83Å; L535-L547 HydrophobicContact CD1-CG 4.04Å; L535-L547 HydrophobicContact CG-CD1 4.48Å
536	F	50.6	Low	48.4	Very low	85 Å²	85	97.6 Å²	97.6	37%	0.373	50%	0.5	S	S	.	.			trans	-111.3	-169.8	176.2	-71.9	-119.5	0	0	0	110.4	H202 Q203 K546 E548 Y551	H202-F536 WeakPolarHBondContact CB-O 3.25Å; H202-F536 WeakPolarHBondContact CE1-CB 3.09Å; H202-F536 WeakPolarHBondContact ND1-CA 3.14Å; H202-F536 WeakPolarHBondContact ND1-CB 3.29Å; H202-F536 PolarHBondContact ND1-O 2.76Å; Q203-F536 VanDerWaalsContact CB-O 3.31Å; Q203-F536 WeakPolarHBondContact CB-O 3.46Å; Q203-F536 WeakPolarHBondContact CG-O 3.27Å; Q203-F536 PolarHBondContact N-O 2.95Å; Q203-F536 PolarHBondContact OE1-O 3.44Å; F536-K546 WeakPolarHBondContact CB-O 3.35Å; F536-K546 VanDerWaalsContact CD2-O 3.22Å; F536-K546 WeakPolarHBondContact CD2-O 3.32Å; F536-K546 PolarHBondContact N-O 2.78Å; F536-E548 HydrophobicContact CE2-CB 4.21Å; F536-E548 HydrophobicContact CZ-CB 4.21Å; F536-Y551 HydrophobicContact CB-CD1 4.47Å; F536-Y551 HydrophobicContact CD1-CD1 4.35Å; F536-Y551 HydrophobicContact CD1-CE1 4.08Å
537	R	49.7	Very low	48.3	Very low	89 Å²	89	99.7 Å²	99.7	34%	0.336	50%	0.504	S	S	.	.			trans	-142.1	156.8	163	-144.6	-159.4	-171.7	140.2	15.3	114	H202 Q203 Q204 G542 Y551	H202-R537 VanDerWaalsContact CD2-C 3.49Å; H202-R537 VanDerWaalsContact CD2-CA 3.47Å; H202-R537 WeakPolarHBondContact CD2-CA 3.16Å; H202-R537 PolarHBondContact CE1-N 3.26Å; H202-R537 PolarHBondContact ND1-N 3.41Å; Q203-R537 HydrophobicContact CB-CB 4.28Å; Q203-R537 HydrophobicContact CB-CG 4.31Å; Q204-R537 HydrophobicContact CB-CG 4.22Å; Q204-R537 PolarHBondContact O-NH1 3.32Å; Q204-R537 PolarHBondContact O-NH2 3.1Å; R537-G542 PolarHBondContact NE-O 3.38Å; R537-G542 PolarHBondContact NH2-O 3.35Å; R537-Y551 WeakPolarHBondContact O-CE2 3.3Å; R537-Y551 PolarHBondContact O-OH 2.95Å
538	C	53.5	Low	48.2	Very low	1 Å²	1	98 Å²	98	1%	0.007	49%	0.488	C	S	.	.			trans	-88.7	124.3	166.5	-177.6	0	0	0	0	111.9	H202 F540 G542 Y551 H554	H202-C538 PolarHBondContact CD2-N 2.77Å; H202-C538 VanDerWaalsContact CD2-N 3.27Å; H202-C538 PolarHBondContact NE2-N 3.37Å; C538-F540 PolarHBondContact SG-N 3.4Å; C538-G542 WeakPolarHBondContact O-CA 3.39Å; C538-G542 PolarHBondContact O-N 2.83Å; C538-Y551 HydrophobicContact CB-CD2 4.38Å; C538-Y551 HydrophobicContact CB-CE2 4.23Å; C538-H554 PolarHBondContact SG-CD2 3.38Å; C538-H554 PolarHBondContact SG-NE2 3.21Å
539	H	46.5	Very low	48.5	Very low	173 Å²	173	96.4 Å²	96.4	80%	0.801	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-26.8	-179.3	-167.3	71.1	0	0	0	113.8
540	F	41	Very low	48.7	Very low	137 Å²	137	89.3 Å²	89.3	60%	0.601	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.3	-173.4	-63.8	-74.1	0	0	0	115	C538 V555	C538-F540 PolarHBondContact SG-N 3.4Å; F540-V555 HydrophobicContact CD2-CG1 4.43Å; F540-V555 HydrophobicContact CE2-CG1 4.15Å
541	C	53	Low	49.5	Very low	60 Å²	60	84 Å²	84	41%	0.405	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.9	9.7	175.7	65.8	0	0	0	0	114.7	Q543 H554	C541-Q543 PolarHBondContact O-N 3.13Å; C541-H554 PolarHBondContact SG-CE1 3.05Å; C541-H554 PolarHBondContact SG-NE2 2.83Å
542	G	46.6	Very low	50	Low	28 Å²	28	83.1 Å²	83.1	29%	0.289	42%	0.415	S	S	.	.			trans	69	-1.4	176.8	0	0	0	0	0	116.7	R537 C538	R537-G542 PolarHBondContact NE-O 3.38Å; R537-G542 PolarHBondContact NH2-O 3.35Å; C538-G542 WeakPolarHBondContact O-CA 3.39Å; C538-G542 PolarHBondContact O-N 2.83Å
543	Q	47.3	Very low	50.7	Low	100 Å²	100	81 Å²	81	47%	0.467	40%	0.4	S	S	.	.			trans	-68.1	172.7	-168	-84.3	-165	-20	0	0	116.5	H202 C541 F545 H554	H202-Q543 PolarHBondContact CD2-O 3.48Å; C541-Q543 PolarHBondContact O-N 3.13Å; Q543-F545 HydrophobicContact CB-CD2 4.16Å; Q543-F545 HydrophobicContact CB-CE2 3.48Å; Q543-F545 VanDerWaalsContact CB-CE2 3.48Å; Q543-F545 HydrophobicContact CB-CZ 4.25Å; Q543-F545 HydrophobicContact CG-CE2 4.45Å; Q543-F545 VanDerWaalsContact OE1-CE2 3.32Å; Q543-H554 PolarHBondContact OE1-CE1 3.24Å
544	S	45.2	Very low	51.7	Low	67 Å²	67	73.9 Å²	73.9	47%	0.469	37%	0.367	S	S	.	.			trans	-95.7	90.4	-170.4	-63.3	0	0	0	0	115.3	M201	M201-S544 CarbonylContact C-O 3.17Å; M201-S544 WeakPolarHBondContact CA-O 3.42Å; M201-S544 PolarHBondContact N-O 3.42Å; M201-S544 CarbonylContact O-C 3.45Å; M201-S544 WeakPolarHBondContact O-CB 3.43Å
545	F	57	Low	52	Low	22 Å²	22	74 Å²	74	10%	0.096	36%	0.364	C	S	.	.			trans	-133.2	40.8	174.4	-47	-73.9	0	0	0	122.3	L200 M201 H202 Q543 H554	L200-F545 HydrophobicContact CD1-CD1 3.69Å; L200-F545 HydrophobicContact CD1-CE1 3.69Å; L200-F545 HydrophobicContact CD2-CE1 4.35Å; L200-F545 HydrophobicContact CG-CD1 3.89Å; L200-F545 HydrophobicContact CG-CE1 3.79Å; M201-F545 VanDerWaalsContact C-CA 3.43Å; M201-F545 HydrophobicContact CB-CB 4.34Å; M201-F545 WeakPolarHBondContact CB-O 3.46Å; M201-F545 WeakPolarHBondContact CE-O 3.48Å; H202-F545 VanDerWaalsContact CA-N 3.35Å; H202-F545 WeakPolarHBondContact CD2-CA 3.27Å; H202-F545 VanDerWaalsContact CD2-CB 3.44Å; H202-F545 WeakPolarHBondContact CD2-CB 3.2Å; H202-F545 PolarHBondContact CD2-N 3.08Å; H202-F545 VanDerWaalsContact CE1-C 3.43Å; H202-F545 PolarHBondContact CE1-O 2.79Å; H202-F545 VanDerWaalsContact CE1-O 3.28Å; H202-F545 PolarHBondContact ND1-O 3.38Å; H202-F545 VanDerWaalsContact ND1-O 3.16Å; Q543-F545 HydrophobicContact CB-CD2 4.16Å; Q543-F545 HydrophobicContact CB-CE2 3.48Å; Q543-F545 VanDerWaalsContact CB-CE2 3.48Å; Q543-F545 HydrophobicContact CB-CZ 4.25Å; Q543-F545 HydrophobicContact CG-CE2 4.45Å; Q543-F545 VanDerWaalsContact OE1-CE2 3.32Å; F545-H554 HydrophobicContact CD2-CB 3.94Å; F545-H554 AromaticContact CD2-CD2 3.52Å; F545-H554 AromaticContact CD2-CG 3.55Å; F545-H554 AromaticContact CD2-NE2 3.94Å; F545-H554 HydrophobicContact CE2-CB 4.02Å; F545-H554 AromaticContact CE2-CD2 3.49Å; F545-H554 VanDerWaalsContact CE2-CD2 3.49Å; F545-H554 WeakPolarHBondContact CE2-CD2 3.32Å; F545-H554 AromaticContact CE2-CE1 3.4Å; F545-H554 VanDerWaalsContact CE2-CE1 3.4Å; F545-H554 WeakPolarHBondContact CE2-CE1 3.39Å; F545-H554 AromaticContact CE2-CG 3.32Å; F545-H554 AromaticContact CE2-ND1 3.27Å; F545-H554 VanDerWaalsContact CE2-ND1 3.27Å; F545-H554 WeakPolarHBondContact CE2-ND1 3.25Å; F545-H554 AromaticContact CE2-NE2 3.53Å; F545-H554 HydrophobicContact CG-CB 4.31Å; F545-H554 HydrophobicContact CZ-CB 4.45Å; F545-H554 AromaticContact CZ-CG 4Å; F545-H554 AromaticContact CZ-ND1 3.69Å
546	K	44	Very low	52	Low	53 Å²	53	72.1 Å²	72.1	23%	0.23	36%	0.36	C	S	.	.			trans	-6.3	-98	-179.7	-27.4	170.7	173.4	-168.7	0	118.3	M201 H202 E533 A534 L535 F536 E548	M201-K546 VanDerWaalsContact C-CG 3.4Å; M201-K546 HydrophobicContact CB-CB 3.83Å; M201-K546 HydrophobicContact CB-CG 3.81Å; M201-K546 HydrophobicContact CG-CB 3.1Å; M201-K546 HydrophobicContact CG-CD 3.93Å; M201-K546 HydrophobicContact CG-CG 3.37Å; M201-K546 HydrophobicContact SD-CB 4.47Å; H202-K546 VanDerWaalsContact CB-N 3.34Å; H202-K546 WeakPolarHBondContact ND1-CA 3.48Å; H202-K546 PolarHBondContact ND1-N 3.4Å; H202-K546 PolarHBondContact ND1-O 3.47Å; E533-K546 WeakPolarHBondContact O-CD 3.45Å; E533-K546 WeakPolarHBondContact O-CE 3.29Å; E533-K546 PolarHBondContact O-NZ 2.97Å; A534-K546 HydrophobicContact CB-CD 4.03Å; A534-K546 HydrophobicContact CB-CG 3.69Å; L535-K546 HydrophobicContact CB-CB 4.24Å; L535-K546 VanDerWaalsContact N-CB 3.35Å; F536-K546 WeakPolarHBondContact CB-O 3.35Å; F536-K546 VanDerWaalsContact CD2-O 3.22Å; F536-K546 WeakPolarHBondContact CD2-O 3.32Å; F536-K546 PolarHBondContact N-O 2.78Å; K546-E548 VanDerWaalsContact C-N 3.3Å; K546-E548 PolarHBondContact O-N 3.23Å
547	L	50.2	Low	52.2	Low	99 Å²	99	73.5 Å²	73.5	52%	0.518	37%	0.367	S	S	.	.	S	Bend	trans	-76.4	67.8	-167.2	-72.4	68	0	0	0	111.6	M201 L535 A549	M201-L547 HydrophobicContact CE-CB 4.19Å; M201-L547 WeakPolarHBondContact CE-O 3.35Å; M201-L547 HydrophobicContact CG-CD1 4.3Å; M201-L547 VanDerWaalsContact CG-N 3.31Å; M201-L547 HydrophobicContact SD-CB 3.81Å; M201-L547 HydrophobicContact SD-CD1 4.32Å; L535-L547 HydrophobicContact CD1-CD1 3.83Å; L535-L547 HydrophobicContact CD1-CG 4.04Å; L535-L547 HydrophobicContact CG-CD1 4.48Å; L547-A549 VanDerWaalsContact C-N 3.34Å; L547-A549 PolarHBondContact O-N 3.39Å
548	E	46.1	Very low	52.6	Low	74 Å²	74	73.5 Å²	73.5	35%	0.346	37%	0.371	S	S	.	.	S	Bend	trans	51.1	-58.3	161.2	-170.1	163.6	-150	0	0	120.5	F536 K546 A550 Y551 R552	F536-E548 HydrophobicContact CE2-CB 4.21Å; F536-E548 HydrophobicContact CZ-CB 4.21Å; K546-E548 VanDerWaalsContact C-N 3.3Å; K546-E548 PolarHBondContact O-N 3.23Å; E548-A550 PolarHBondContact O-N 3.46Å; E548-Y551 CarbonylContact O-C 3.53Å; E548-Y551 VanDerWaalsContact O-CA 3.31Å; E548-Y551 WeakPolarHBondContact O-CA 3.46Å; E548-Y551 WeakPolarHBondContact O-CB 3.49Å; E548-Y551 PolarHBondContact O-N 3.43Å; E548-R552 HydrophobicContact CG-CG 3.75Å; E548-R552 WeakPolarHBondContact O-CG 3.48Å; E548-R552 PolarHBondContact O-N 3.45Å; E548-R552 IonicContact OE1-CZ 3.85Å; E548-R552 IonicContact OE1-NE 3.87Å; E548-R552 PolarHBondContact OE1-NE 3.48Å; E548-R552 IonicContact OE1-NH2 3.7Å; E548-R552 PolarHBondContact OE1-NH2 3.23Å
549	A	53.5	Low	52.6	Low	59 Å²	59	82.6 Å²	82.6	49%	0.488	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-47.8	-163.1	0	0	0	0	0	113.6	L198 L547 Y551 Y553	L198-A549 HydrophobicContact CD2-CB 3.54Å; L547-A549 VanDerWaalsContact C-N 3.34Å; L547-A549 PolarHBondContact O-N 3.39Å; A549-Y551 VanDerWaalsContact C-N 3.31Å; A549-Y553 PolarHBondContact O-N 2.98Å; A549-Y553 VanDerWaalsContact O-N 3.14Å
550	A	52.7	Low	52	Low	5 Å²	5	80.3 Å²	80.3	4%	0.041	41%	0.413	C	S	.	.	H	α-helix	trans	-77.7	-14.3	172.1	0	0	0	0	0	113.4	L198 S199 L200 M201 E548 H554	L198-A550 HydrophobicContact CD2-CB 4.19Å; S199-A550 WeakPolarHBondContact O-CB 3.44Å; L200-A550 HydrophobicContact CD1-CB 4.45Å; M201-A550 HydrophobicContact CE-CB 4.11Å; E548-A550 PolarHBondContact O-N 3.46Å; A550-H554 VanDerWaalsContact O-CB 3.25Å; A550-H554 WeakPolarHBondContact O-CB 3.41Å; A550-H554 PolarHBondContact O-N 2.92Å
551	Y	61.9	Low	51.6	Low	43 Å²	43	77.6 Å²	77.6	17%	0.169	42%	0.423	C	S	.	.	H	α-helix	trans	-72.4	-44.1	168.3	156.2	-123.6	0	0	0	111.2	H202 F536 R537 C538 E548 A549 Y553 H554 V555	H202-Y551 WeakPolarHBondContact CE1-CB 3.25Å; H202-Y551 AromaticContact CE1-CD1 3.82Å; H202-Y551 AromaticContact CE1-CD2 3.46Å; H202-Y551 VanDerWaalsContact CE1-CD2 3.46Å; H202-Y551 WeakPolarHBondContact CE1-CD2 3.15Å; H202-Y551 AromaticContact CE1-CG 3.27Å; H202-Y551 WeakPolarHBondContact NE2-CB 3.17Å; H202-Y551 AromaticContact NE2-CD2 3.01Å; H202-Y551 WeakPolarHBondContact NE2-CD2 3.29Å; H202-Y551 AromaticContact NE2-CE2 3.69Å; H202-Y551 AromaticContact NE2-CG 3.32Å; H202-Y551 VanDerWaalsContact NE2-CG 3.32Å; F536-Y551 HydrophobicContact CB-CD1 4.47Å; F536-Y551 HydrophobicContact CD1-CD1 4.35Å; F536-Y551 HydrophobicContact CD1-CE1 4.08Å; R537-Y551 WeakPolarHBondContact O-CE2 3.3Å; R537-Y551 PolarHBondContact O-OH 2.95Å; C538-Y551 HydrophobicContact CB-CD2 4.38Å; C538-Y551 HydrophobicContact CB-CE2 4.23Å; E548-Y551 CarbonylContact O-C 3.53Å; E548-Y551 VanDerWaalsContact O-CA 3.31Å; E548-Y551 WeakPolarHBondContact O-CA 3.46Å; E548-Y551 WeakPolarHBondContact O-CB 3.49Å; E548-Y551 PolarHBondContact O-N 3.43Å; A549-Y551 VanDerWaalsContact C-N 3.31Å; Y551-Y553 VanDerWaalsContact C-N 3.27Å; Y551-Y553 PolarHBondContact O-N 3.41Å; Y551-H554 PolarHBondContact O-N 3.12Å; Y551-V555 HydrophobicContact CD2-CG2 3.62Å; Y551-V555 HydrophobicContact CE2-CB 4.5Å; Y551-V555 HydrophobicContact CE2-CG2 3.24Å; Y551-V555 WeakPolarHBondContact O-CB 3.32Å; Y551-V555 WeakPolarHBondContact O-CG2 3.25Å; Y551-V555 PolarHBondContact O-N 2.95Å
552	R	55	Low	50.7	Low	148 Å²	148	78.6 Å²	78.6	56%	0.558	44%	0.443	S	S	*	.	H	α-helix	trans	-60.1	-39.4	170.3	-60.4	-60.6	-173.1	162.5	1.4	110.7	E548 S556	E548-R552 HydrophobicContact CG-CG 3.75Å; E548-R552 WeakPolarHBondContact O-CG 3.48Å; E548-R552 PolarHBondContact O-N 3.45Å; E548-R552 IonicContact OE1-CZ 3.85Å; E548-R552 IonicContact OE1-NE 3.87Å; E548-R552 PolarHBondContact OE1-NE 3.48Å; E548-R552 IonicContact OE1-NH2 3.7Å; E548-R552 PolarHBondContact OE1-NH2 3.23Å; R552-S556 VanDerWaalsContact O-CB 3.3Å; R552-S556 WeakPolarHBondContact O-CB 3.47Å; R552-S556 PolarHBondContact O-N 3.15Å; R552-S556 PolarHBondContact O-OG 2.95Å
553	Y	59.1	Low	49.8	Very low	145 Å²	145	82.5 Å²	82.5	57%	0.569	47%	0.467	S	S	*	.	H	α-helix	trans	-61.5	-50.6	171.2	-176.4	-114.8	0	0	0	112.3	A549 Y551 S556 Q557	A549-Y553 PolarHBondContact O-N 2.98Å; A549-Y553 VanDerWaalsContact O-N 3.14Å; Y551-Y553 VanDerWaalsContact C-N 3.27Å; Y551-Y553 PolarHBondContact O-N 3.41Å; Y553-S556 WeakPolarHBondContact O-CB 3.48Å; Y553-S556 PolarHBondContact O-N 3.2Å; Y553-S556 VanDerWaalsContact O-N 3.12Å; Y553-S556 PolarHBondContact O-OG 3.46Å; Y553-Q557 VanDerWaalsContact CZ-NE2 3.28Å; Y553-Q557 WeakPolarHBondContact O-CG 3.46Å; Y553-Q557 PolarHBondContact O-N 3.21Å; Y553-Q557 VanDerWaalsContact O-N 3.13Å; Y553-Q557 PolarHBondContact OH-NE2 3.14Å
554	H	64.6	Low	49.1	Very low	24 Å²	24	84.7 Å²	84.7	11%	0.111	48%	0.481	C	S	.	.	H	α-helix	trans	-61.2	-46.4	178.8	168.5	76.2	0	0	0	112.7	C538 C541 Q543 F545 A550 Y551 S556 Q557 H558	C538-H554 PolarHBondContact SG-CD2 3.38Å; C538-H554 PolarHBondContact SG-NE2 3.21Å; C541-H554 PolarHBondContact SG-CE1 3.05Å; C541-H554 PolarHBondContact SG-NE2 2.83Å; Q543-H554 PolarHBondContact OE1-CE1 3.24Å; F545-H554 HydrophobicContact CD2-CB 3.94Å; F545-H554 AromaticContact CD2-CD2 3.52Å; F545-H554 AromaticContact CD2-CG 3.55Å; F545-H554 AromaticContact CD2-NE2 3.94Å; F545-H554 HydrophobicContact CE2-CB 4.02Å; F545-H554 AromaticContact CE2-CD2 3.49Å; F545-H554 VanDerWaalsContact CE2-CD2 3.49Å; F545-H554 WeakPolarHBondContact CE2-CD2 3.32Å; F545-H554 AromaticContact CE2-CE1 3.4Å; F545-H554 VanDerWaalsContact CE2-CE1 3.4Å; F545-H554 WeakPolarHBondContact CE2-CE1 3.39Å; F545-H554 AromaticContact CE2-CG 3.32Å; F545-H554 AromaticContact CE2-ND1 3.27Å; F545-H554 VanDerWaalsContact CE2-ND1 3.27Å; F545-H554 WeakPolarHBondContact CE2-ND1 3.25Å; F545-H554 AromaticContact CE2-NE2 3.53Å; F545-H554 HydrophobicContact CG-CB 4.31Å; F545-H554 HydrophobicContact CZ-CB 4.45Å; F545-H554 AromaticContact CZ-CG 4Å; F545-H554 AromaticContact CZ-ND1 3.69Å; A550-H554 VanDerWaalsContact O-CB 3.25Å; A550-H554 WeakPolarHBondContact O-CB 3.41Å; A550-H554 PolarHBondContact O-N 2.92Å; Y551-H554 PolarHBondContact O-N 3.12Å; H554-S556 VanDerWaalsContact C-N 3.27Å; H554-S556 PolarHBondContact O-N 3.24Å; H554-Q557 WeakPolarHBondContact O-CB 3.5Å; H554-Q557 PolarHBondContact O-N 3.35Å; H554-H558 AromaticContact CE1-NE2 3.73Å; H554-H558 AromaticContact NE2-NE2 3.58Å
555	V	57.8	Low	48.2	Very low	35 Å²	35	88.3 Å²	88.3	21%	0.212	50%	0.495	C	S	.	.	H	α-helix	trans	-63.3	-32.6	173.1	171.7	0	0	0	0	111.9	F540 Y551 Q557 H558	F540-V555 HydrophobicContact CD2-CG1 4.43Å; F540-V555 HydrophobicContact CE2-CG1 4.15Å; Y551-V555 HydrophobicContact CD2-CG2 3.62Å; Y551-V555 HydrophobicContact CE2-CB 4.5Å; Y551-V555 HydrophobicContact CE2-CG2 3.24Å; Y551-V555 WeakPolarHBondContact O-CB 3.32Å; Y551-V555 WeakPolarHBondContact O-CG2 3.25Å; Y551-V555 PolarHBondContact O-N 2.95Å; V555-Q557 VanDerWaalsContact C-N 3.25Å; V555-Q557 PolarHBondContact O-N 2.98Å; V555-H558 PolarHBondContact O-N 3.04Å
556	S	57.4	Low	46.6	Very low	67 Å²	67	95.3 Å²	95.3	47%	0.469	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-25	173.3	77.5	0	0	0	0	113.3	R552 Y553 H554 K559	R552-S556 VanDerWaalsContact O-CB 3.3Å; R552-S556 WeakPolarHBondContact O-CB 3.47Å; R552-S556 PolarHBondContact O-N 3.15Å; R552-S556 PolarHBondContact O-OG 2.95Å; Y553-S556 WeakPolarHBondContact O-CB 3.48Å; Y553-S556 PolarHBondContact O-N 3.2Å; Y553-S556 VanDerWaalsContact O-N 3.12Å; Y553-S556 PolarHBondContact O-OG 3.46Å; H554-S556 VanDerWaalsContact C-N 3.27Å; H554-S556 PolarHBondContact O-N 3.24Å; S556-K559 PolarHBondContact O-N 3.49Å
557	Q	54.6	Low	45.7	Very low	114 Å²	114	101.5 Å²	101.5	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-71.8	-29.2	175.7	-56.2	-141.8	13.4	0	0	112.7	Y553 H554 V555 K559 C560	Y553-Q557 VanDerWaalsContact CZ-NE2 3.28Å; Y553-Q557 WeakPolarHBondContact O-CG 3.46Å; Y553-Q557 PolarHBondContact O-N 3.21Å; Y553-Q557 VanDerWaalsContact O-N 3.13Å; Y553-Q557 PolarHBondContact OH-NE2 3.14Å; H554-Q557 WeakPolarHBondContact O-CB 3.5Å; H554-Q557 PolarHBondContact O-N 3.35Å; V555-Q557 VanDerWaalsContact C-N 3.25Å; V555-Q557 PolarHBondContact O-N 2.98Å; Q557-K559 PolarHBondContact O-N 2.98Å; Q557-K559 VanDerWaalsContact O-N 3.07Å; Q557-C560 PolarHBondContact O-N 3.34Å
558	H	58.3	Low	44.7	Very low	90 Å²	90	102 Å²	102	42%	0.417	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-8.1	171.4	-74.2	-84	0	0	0	113.8	H554 V555	H554-H558 AromaticContact CE1-NE2 3.73Å; H554-H558 AromaticContact NE2-NE2 3.58Å; V555-H558 PolarHBondContact O-N 3.04Å
559	K	53.7	Low	43.7	Very low	192 Å²	192	103.1 Å²	103.1	84%	0.835	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	5.4	177.7	-71.6	-160.1	169.8	-164.5	0	115.3	S556 Q557 G561	S556-K559 PolarHBondContact O-N 3.49Å; Q557-K559 PolarHBondContact O-N 2.98Å; Q557-K559 VanDerWaalsContact O-N 3.07Å; K559-G561 PolarHBondContact O-N 3.39Å
560	C	33.2	Very low	42.4	Very low	125 Å²	125	110 Å²	110	85%	0.845	60%	0.598	S	S	*	*			trans	-103.1	67.6	179.9	-142.3	0	0	0	0	112.2	Q557	Q557-C560 PolarHBondContact O-N 3.34Å
561	G	32.8	Very low	41.1	Very low	79 Å²	79	113.1 Å²	113.1	81%	0.814	63%	0.631	S	S	*	*			trans	-166.7	43.8	-176	0	0	0	0	0	113	K559	K559-G561 PolarHBondContact O-N 3.39Å
562	G	34.5	Very low	39.3	Very low	81 Å²	81	117.1 Å²	117.1	84%	0.835	66%	0.655	S	S	*	*			trans	-90.4	123.3	-175.3	0	0	0	0	0	113.3
563	S	27.7	Very low	38.1	Very low	111 Å²	111	118.8 Å²	118.8	78%	0.776	66%	0.661	S	S	*	*			trans	-102.4	114.1	148.5	-179	0	0	0	0	107.8
564	L	31.6	Very low	36.7	Very low	146 Å²	146	117.8 Å²	117.8	76%	0.764	67%	0.665	S	S	*	*	S	Bend	trans	70.3	115.3	171.5	-60.1	177.3	0	0	0	118.9
565	D	26.8	Very low	35	Very low	142 Å²	142	122 Å²	122	76%	0.759	69%	0.685	S	S	*	*			trans	86.4	146.2	135.7	-62.6	-40.1	0	0	0	124.6
566	I	23.9	Very low	33.6	Very low	170 Å²	170	124.9 Å²	124.9	87%	0.872	70%	0.696	S	S	*	*			trans	74	105.1	174	-51.9	-178.7	0	0	0	117.5
567	R	25.2	Very low	32.3	Very low	182 Å²	182	127 Å²	127	69%	0.687	70%	0.699	S	S	*	*			trans	-83.9	176.7	163.7	-107.6	180	164.5	-171.1	-3.9	110.4	P599	R567-P599 PolarHBondContact NH1-O 2.76Å
568	P	29.3	Very low	30.9	Very low	110 Å²	110	125 Å²	125	71%	0.714	71%	0.709	S	S	*	*			cis	-122.8	163.5	-0.5	43	-28.5	0	0	0	113.2
569	S	24.8	Very low	29.4	Very low	97 Å²	97	126 Å²	126	68%	0.678	72%	0.716	S	S	*	*				43.8	113.4	74.2	-123.9	0	0	0	0	114
570	F	25.4	Very low	28.1	Very low	203 Å²	203	122 Å²	122	89%	0.89	70%	0.701	S	S	*	*			cis	70.4	110.2	20.9	-115.2	-71.2	0	0	0	116.2
571	G	25.6	Very low	28	Very low	72 Å²	72	124.6 Å²	124.6	74%	0.742	70%	0.697	S	S	*	*			trans	72.4	165.3	148.6	0	0	0	0	0	120.1
572	D	24.4	Very low	27.6	Very low	126 Å²	126	129.8 Å²	129.8	67%	0.674	69%	0.693	S	S	*	*			cis	-160.5	166.9	-29.1	-160.6	5.4	0	0	0	109.5
573	R	30.1	Very low	27.4	Very low	184 Å²	184	134.2 Å²	134.2	69%	0.694	69%	0.689	S	S	*	*			trans	21.6	132.5	154	-80.6	160.8	-151	-76.4	-11.3	123.2
574	L	30.2	Very low	27.7	Very low	124 Å²	124	133.4 Å²	133.4	65%	0.649	68%	0.675	S	S	*	*				67.4	142.6	129.2	-63.6	168.4	0	0	0	120.3	H615	L574-H615 PolarHBondContact O-CE1 3.48Å; L574-H615 PolarHBondContact O-ND1 3.23Å; L574-H615 VanDerWaalsContact O-ND1 3.08Å
575	Q	28.6	Very low	27.4	Very low	113 Å²	113	132 Å²	132	53%	0.528	68%	0.675	S	S	.	*				-162.1	158	103.4	-157	64.3	25.3	0	0	110.8
576	Q	28.1	Very low	28.1	Very low	95 Å²	95	132.3 Å²	132.3	44%	0.444	67%	0.672	S	S	.	*			trans	-56.8	178.2	170.2	-45.1	134.1	-25.5	0	0	112.3
577	Q	29.8	Very low	28.3	Very low	112 Å²	112	131.6 Å²	131.6	52%	0.523	67%	0.665	S	S	.	*			cis	-173.4	172.1	19.8	-143.7	157.2	45.7	0	0	108.6
578	G	25.6	Very low	28.7	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	67%	0.673	S	S	*	*			trans	166.8	109.2	154.9	0	0	0	0	0	120.6
579	L	25.8	Very low	29.2	Very low	110 Å²	110	135.1 Å²	135.1	58%	0.576	68%	0.682	S	S	*	*			trans	-143.5	132.4	141.8	-88.8	172.4	0	0	0	106	N189	N189-L579 PolarHBondContact ND2-O 3.42Å
580	Q	27.6	Very low	29.7	Very low	109 Å²	109	135.6 Å²	135.6	51%	0.509	69%	0.685	S	S	.	*				-125.8	-177.8	52.5	-47.8	159.7	-73.7	0	0	114.9	D187 R188	D187-Q580 VanDerWaalsContact CG-NE2 3.3Å; D187-Q580 PolarHBondContact OD2-NE2 3.14Å; R188-Q580 HydrophobicContact CB-CG 4.07Å
581	K	30.2	Very low	30.6	Very low	178 Å²	178	133.5 Å²	133.5	77%	0.774	68%	0.678	S	S	*	*			trans	-122.7	143.3	165.3	-62.6	174.9	178.4	176.5	0	110
582	R	24.8	Very low	31	Very low	189 Å²	189	135.4 Å²	135.4	71%	0.713	67%	0.671	S	S	*	*			trans	-131.9	138.8	138	-77.5	-171.1	174.3	-155.6	-6.4	106.7	E185 D186	E185-R582 IonicContact OE2-CZ 3.98Å; E185-R582 IonicContact OE2-NH1 3.65Å; E185-R582 IonicContact OE2-NH2 3.39Å; E185-R582 PolarHBondContact OE2-NH2 3.38Å; D186-R582 IonicContact OD2-CZ 3.51Å; D186-R582 IonicContact OD2-NE 2.77Å; D186-R582 IonicContact OD2-NH2 3.76Å; D186-R582 PolarHBondContact OD2-NH2 3.32Å
583	K	30.6	Very low	32.3	Very low	173 Å²	173	137.1 Å²	137.1	75%	0.752	68%	0.679	S	S	*	*			trans	-86.5	166.7	178.8	-81	-173.2	144.5	-136.7	0	109.5	E586	K583-E586 IonicContact NZ-OE1 3.76Å
584	L	33.8	Very low	32.5	Very low	94 Å²	94	129.9 Å²	129.9	49%	0.492	66%	0.659	S	S	.	*			cis	-165	173.3	-14.6	-101.8	170.5	0	0	0	106	E586	L584-E586 HydrophobicContact CB-CB 4.46Å; L584-E586 HydrophobicContact CD1-CB 4.29Å; L584-E586 HydrophobicContact CD1-CG 4.4Å; L584-E586 WeakPolarHBondContact CD1-OE1 3.3Å; L584-E586 HydrophobicContact CD2-CB 3.98Å; L584-E586 HydrophobicContact CG-CB 4.46Å
585	P	26	Very low	32.9	Very low	118 Å²	118	128 Å²	128	77%	0.766	65%	0.649	S	S	*	*			cis	-103.2	159.1	44.5	-2.5	25.6	0	0	0	113.4
586	E	39.6	Very low	33.6	Very low	147 Å²	147	127.8 Å²	127.8	69%	0.687	65%	0.648	S	S	*	*			cis	85	21.1	19.1	-131.2	155.7	-113.1	0	0	116.6	K583 L584	K583-E586 IonicContact NZ-OE1 3.76Å; L584-E586 HydrophobicContact CB-CB 4.46Å; L584-E586 HydrophobicContact CD1-CB 4.29Å; L584-E586 HydrophobicContact CD1-CG 4.4Å; L584-E586 WeakPolarHBondContact CD1-OE1 3.3Å; L584-E586 HydrophobicContact CD2-CB 3.98Å; L584-E586 HydrophobicContact CG-CB 4.46Å
587	E	29.2	Very low	33.8	Very low	155 Å²	155	131.1 Å²	131.1	72%	0.724	67%	0.669	S	S	*	*			trans	-129	161.3	150.4	-67.7	-173.8	167.4	0	0	109.3
588	F	32.8	Very low	34.2	Very low	196 Å²	196	133.9 Å²	133.9	86%	0.86	68%	0.681	S	S	*	*			trans	63.3	35.3	179.6	-51.7	-80.2	0	0	0	116.8
589	L	40.6	Very low	34.8	Very low	171 Å²	171	134.8 Å²	134.8	90%	0.895	68%	0.675	S	S	*	*			trans	-95.5	126.5	145.6	-71	179.6	0	0	0	108.6
590	S	34.5	Very low	35.8	Very low	106 Å²	106	131.9 Å²	131.9	74%	0.741	67%	0.671	S	S	*	*			trans	-149.1	141.2	165.4	-52	0	0	0	0	106.4
591	E	44.2	Very low	36.8	Very low	159 Å²	159	133 Å²	133	74%	0.743	68%	0.68	S	S	*	*			trans	-62.7	157	177.3	-69	92.6	146.8	0	0	112.2
592	D	35.7	Very low	37.9	Very low	112 Å²	112	125.7 Å²	125.7	60%	0.599	65%	0.651	S	S	*	*				-170.5	151	103.4	-88.9	-30.4	0	0	0	109.9	M290	M290-D592 HydrophobicContact CE-CB 3.84Å; M290-D592 HydrophobicContact SD-CB 3.72Å
593	L	49.9	Very low	39.8	Very low	163 Å²	163	124.1 Å²	124.1	85%	0.853	65%	0.65	S	S	*	*			trans	-135.9	113.9	-167.5	-180	146.6	0	0	0	110.7
594	A	34.3	Very low	41.6	Very low	31 Å²	31	119.6 Å²	119.6	26%	0.256	63%	0.629	S	S	.	*			trans	-166.7	-158.4	148.9	0	0	0	0	0	113	D291 E292	D291-A594 HydrophobicContact CB-CB 4.36Å; D291-A594 VanDerWaalsContact OD1-C 3.3Å; D291-A594 WeakPolarHBondContact OD1-CA 3.46Å; D291-A594 WeakPolarHBondContact OD1-CB 3.14Å; D291-A594 PolarHBondContact OD1-N 3.41Å; E292-A594 HydrophobicContact CB-CB 4.5Å; E292-A594 HydrophobicContact CG-CB 3.3Å
595	L	39	Very low	43.6	Very low	85 Å²	85	116.7 Å²	116.7	45%	0.445	62%	0.616	S	S	.	*			trans	-101	179	-136.3	-65.8	78.1	0	0	0	118.2	D291	D291-L595 CarbonylContact C-O 3.08Å; D291-L595 WeakPolarHBondContact CA-O 3.46Å; D291-L595 PolarHBondContact N-O 2.69Å
596	Q	43.1	Very low	46.1	Very low	109 Å²	109	111.2 Å²	111.2	51%	0.509	58%	0.58	S	S	.	*			trans	53.6	106.3	147.5	-78.1	144.2	-58.8	0	0	121.6	L293	L293-Q596 PolarHBondContact O-NE2 3.37Å; L293-Q596 PolarHBondContact O-OE1 2.93Å; L293-Q596 VanDerWaalsContact O-OE1 3.06Å
597	N	32.4	Very low	47.6	Very low	165 Å²	165	107.7 Å²	107.7	88%	0.882	56%	0.563	S	S	*	*				-162.2	153.7	98.6	-106.6	-73.8	0	0	0	113
598	Q	37.8	Very low	49.6	Very low	169 Å²	169	102.9 Å²	102.9	79%	0.79	54%	0.544	S	S	*	.			trans	-97.4	171.9	-179.2	-73.1	-89.9	24.4	0	0	111
599	P	39.9	Very low	51.6	Low	92 Å²	92	96 Å²	96	60%	0.597	52%	0.52	S	S	*	.	S	Bend	cis	-130.7	98.9	0.7	33.5	-12.7	0	0	0	113.7	R567	R567-P599 PolarHBondContact NH1-O 2.76Å
600	G	46.6	Very low	53	Low	48 Å²	48	90.3 Å²	90.3	50%	0.495	50%	0.502	S	S	.	.			trans	-167.5	19.5	-174.9	0	0	0	0	0	119	S602	G600-S602 WeakPolarHBondContact O-CB 3.45Å; G600-S602 PolarHBondContact O-N 3.36Å; G600-S602 PolarHBondContact O-OG 3.36Å
601	N	48.1	Very low	54.8	Low	133 Å²	133	91 Å²	91	71%	0.711	49%	0.492	S	S	*	.			trans	32.5	31.3	166.6	-142.1	8.9	0	0	0	119.5
602	S	53.3	Low	56.4	Low	24 Å²	24	91.1 Å²	91.1	17%	0.168	49%	0.485	C	S	.	.			trans	-115.7	89.8	-176.7	48.1	0	0	0	0	110	G600 Y604 R612 F613	G600-S602 WeakPolarHBondContact O-CB 3.45Å; G600-S602 PolarHBondContact O-N 3.36Å; G600-S602 PolarHBondContact O-OG 3.36Å; S602-Y604 VanDerWaalsContact C-N 3.28Å; S602-Y604 PolarHBondContact O-N 3.17Å; S602-R612 PolarHBondContact O-NH2 3.17Å; S602-R612 PolarHBondContact OG-NE 3.45Å; S602-F613 CarbonylContact C-O 3.14Å; S602-F613 VanDerWaalsContact CA-O 3.26Å; S602-F613 WeakPolarHBondContact CA-O 3.31Å; S602-F613 WeakPolarHBondContact CB-O 3.44Å
603	K	65.3	Low	58.4	Low	156 Å²	156	87.6 Å²	87.6	68%	0.678	47%	0.465	S	S	*	.			trans	-76.7	-11.3	-171.4	-62	-170.9	178	-171.1	0	113.9	F613	K603-F613 PolarHBondContact N-O 3.31Å
604	Y	68.3	Low	59.6	Low	79 Å²	79	82.1 Å²	82.1	31%	0.31	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	105	-173.6	-51.8	-72.4	0	0	0	111.1	S602 F613 T616 F619	S602-Y604 VanDerWaalsContact C-N 3.28Å; S602-Y604 PolarHBondContact O-N 3.17Å; Y604-F613 PolarHBondContact N-O 3.18Å; Y604-F613 PolarHBondContact O-N 3.33Å; Y604-T616 HydrophobicContact CD1-CG2 3.95Å; Y604-T616 HydrophobicContact CD2-CG2 4.42Å; Y604-T616 HydrophobicContact CE1-CG2 3.62Å; Y604-T616 HydrophobicContact CE2-CG2 4.13Å; Y604-T616 WeakPolarHBondContact CE2-OG1 3.46Å; Y604-T616 HydrophobicContact CG-CG2 4.33Å; Y604-T616 PolarHBondContact OH-OG1 3Å; Y604-T616 VanDerWaalsContact OH-OG1 3.04Å; Y604-F619 HydrophobicContact CD1-CD1 4.5Å; Y604-F619 HydrophobicContact CG-CB 4.4Å; Y604-F619 HydrophobicContact CG-CD1 4.43Å
605	S	75.9	Confident	61.6	Low	32 Å²	32	83.8 Å²	83.8	22%	0.224	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133	174.6	57.3	0	0	0	0	110.9	K607 F619	S605-K607 WeakPolarHBondContact O-CG 3.47Å; S605-K607 PolarHBondContact O-N 3Å; S605-F619 WeakPolarHBondContact O-CE2 3.44Å
606	C	78.3	Confident	63.4	Low	3 Å²	3	82.6 Å²	82.6	2%	0.02	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	60.4	160.3	-145.6	0	0	0	0	109.9	V608 C609 G610 K611 F613 F619 H622	C606-V608 PolarHBondContact O-N 3.47Å; C606-C609 PolarHBondContact O-N 3.3Å; C606-G610 PolarHBondContact O-N 3.12Å; C606-K611 PolarHBondContact N-O 3Å; C606-F613 HydrophobicContact CB-CE2 4.2Å; C606-F619 HydrophobicContact CB-CD2 4.04Å; C606-F619 HydrophobicContact CB-CE2 3.76Å; C606-H622 WeakPolarHBondContact CB-CD2 3.4Å; C606-H622 VanDerWaalsContact CB-NE2 3.25Å; C606-H622 WeakPolarHBondContact CB-NE2 3.5Å; C606-H622 VanDerWaalsContact SG-CD2 3.55Å
607	K	69.8	Low	64.8	Low	73 Å²	73	80.3 Å²	80.3	32%	0.317	44%	0.438	S	S	.	.	G	3₁₀ helix		44.7	-85.4	123.3	-79.5	179.4	177.8	-159.9	0	113	G286 F287 S605 C609	G286-K607 VanDerWaalsContact C-CG 3.5Å; G286-K607 CarbonylContact O-C 3.55Å; G286-K607 VanDerWaalsContact O-CA 3.23Å; G286-K607 WeakPolarHBondContact O-CA 3.12Å; G286-K607 WeakPolarHBondContact O-CB 3.41Å; F287-K607 VanDerWaalsContact CA-CE 3.5Å; F287-K607 VanDerWaalsContact CD1-NZ 3.33Å; S605-K607 WeakPolarHBondContact O-CG 3.47Å; S605-K607 PolarHBondContact O-N 3Å; K607-C609 PolarHBondContact O-N 3.5Å
608	V	72.1	Confident	66.8	Low	55 Å²	55	76.7 Å²	76.7	33%	0.333	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-45.9	-53.1	173.1	-141.1	0	0	0	0	117.6	E284 Q285 C606	E284-V608 HydrophobicContact CB-CG2 4.49Å; E284-V608 HydrophobicContact CG-CG2 4.38Å; E284-V608 VanDerWaalsContact N-CG1 3.27Å; E284-V608 WeakPolarHBondContact O-CG1 3.38Å; Q285-V608 VanDerWaalsContact O-CA 3.28Å; Q285-V608 WeakPolarHBondContact O-CA 3.47Å; Q285-V608 PolarHBondContact O-N 2.72Å; Q285-V608 VanDerWaalsContact O-N 3.13Å; C606-V608 PolarHBondContact O-N 3.47Å
609	C	74.4	Confident	68.7	Low	52 Å²	52	70.1 Å²	70.1	35%	0.351	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-122.7	18.1	-164.6	67.9	0	0	0	0	110.5	C606 K607 K611 H622	C606-C609 PolarHBondContact O-N 3.3Å; K607-C609 PolarHBondContact O-N 3.5Å; C609-K611 PolarHBondContact O-N 3.25Å; C609-H622 PolarHBondContact SG-NE2 2.87Å; C609-H622 VanDerWaalsContact SG-NE2 3.42Å
610	G	69.7	Low	70.4	Confident	50 Å²	50	68.2 Å²	68.2	52%	0.515	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-12.1	-178.1	0	0	0	0	0	115.8	C606 R612	C606-G610 PolarHBondContact O-N 3.12Å; G610-R612 WeakPolarHBondContact O-CG 3.21Å; G610-R612 PolarHBondContact O-N 3.45Å; G610-R612 VanDerWaalsContact O-N 3.15Å
611	K	73.6	Confident	71.8	Confident	122 Å²	122	70.3 Å²	70.3	53%	0.53	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	118.8	-167	-73.5	179.2	-176.3	170.6	0	111.7	C606 C609 F613	C606-K611 PolarHBondContact N-O 3Å; C609-K611 PolarHBondContact O-N 3.25Å; K611-F613 HydrophobicContact CB-CE2 3.67Å; K611-F613 HydrophobicContact CB-CZ 3.86Å; K611-F613 WeakPolarHBondContact O-CD2 3.39Å; K611-F613 WeakPolarHBondContact O-CE2 3.39Å
612	R	76.4	Confident	73.2	Confident	161 Å²	161	64.5 Å²	64.5	61%	0.608	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	139.5	180	-53.4	-173.6	64.8	112.5	5.7	110.2	S602 G610	S602-R612 PolarHBondContact O-NH2 3.17Å; S602-R612 PolarHBondContact OG-NE 3.45Å; G610-R612 WeakPolarHBondContact O-CG 3.21Å; G610-R612 PolarHBondContact O-N 3.45Å; G610-R612 VanDerWaalsContact O-N 3.15Å
613	F	78.1	Confident	74.2	Confident	37 Å²	37	67.9 Å²	67.9	16%	0.162	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.7	-179	-60.2	-89.3	0	0	0	110.1	S602 K603 Y604 C606 K611 E618 F619 H622	S602-F613 CarbonylContact C-O 3.14Å; S602-F613 VanDerWaalsContact CA-O 3.26Å; S602-F613 WeakPolarHBondContact CA-O 3.31Å; S602-F613 WeakPolarHBondContact CB-O 3.44Å; K603-F613 PolarHBondContact N-O 3.31Å; Y604-F613 PolarHBondContact N-O 3.18Å; Y604-F613 PolarHBondContact O-N 3.33Å; C606-F613 HydrophobicContact CB-CE2 4.2Å; K611-F613 HydrophobicContact CB-CE2 3.67Å; K611-F613 HydrophobicContact CB-CZ 3.86Å; K611-F613 WeakPolarHBondContact O-CD2 3.39Å; K611-F613 WeakPolarHBondContact O-CE2 3.39Å; F613-E618 HydrophobicContact CB-CB 4.22Å; F613-E618 HydrophobicContact CD1-CB 3.65Å; F613-E618 HydrophobicContact CE1-CB 4.46Å; F613-E618 HydrophobicContact CG-CB 4.21Å; F613-F619 HydrophobicContact CB-CB 4.11Å; F613-F619 HydrophobicContact CD2-CB 4.09Å; F613-F619 HydrophobicContact CD2-CD2 4.14Å; F613-F619 HydrophobicContact CG-CB 4.21Å; F613-H622 HydrophobicContact CE1-CB 4.09Å; F613-H622 HydrophobicContact CE2-CB 4.08Å; F613-H622 AromaticContact CE2-CD2 3.13Å; F613-H622 WeakPolarHBondContact CE2-CD2 3.45Å; F613-H622 AromaticContact CE2-CG 3.73Å; F613-H622 AromaticContact CE2-NE2 3.76Å; F613-H622 HydrophobicContact CZ-CB 3.61Å; F613-H622 AromaticContact CZ-CD2 3.26Å; F613-H622 WeakPolarHBondContact CZ-CD2 3.28Å; F613-H622 AromaticContact CZ-CG 3.36Å; F613-H622 AromaticContact CZ-NE2 3.85Å
614	A	75.5	Confident	74.7	Confident	49 Å²	49	63.5 Å²	63.5	41%	0.405	32%	0.32	S	S	.	.	S	Bend	trans	-73.2	-40.9	173.7	0	0	0	0	0	110.7
615	H	76.1	Confident	75	Confident	65 Å²	65	63.1 Å²	63.1	30%	0.301	32%	0.323	S	S	.	.	S	Bend	trans	-113.7	142.7	-171.9	-49.9	-93.7	0	0	0	112.9	L574 S617 E618 F619	L574-H615 PolarHBondContact O-CE1 3.48Å; L574-H615 PolarHBondContact O-ND1 3.23Å; L574-H615 VanDerWaalsContact O-ND1 3.08Å; H615-S617 PolarHBondContact O-N 2.88Å; H615-E618 HydrophobicContact CB-CG 4.23Å; H615-E618 IonicContact CD2-OE2 2.8Å; H615-E618 PolarHBondContact N-OE2 2.93Å; H615-E618 PolarHBondContact O-N 2.88Å; H615-F619 PolarHBondContact O-N 3.39Å
616	T	76.4	Confident	74.7	Confident	60 Å²	60	62.8 Å²	62.8	37%	0.368	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-28.1	-179.8	-20.4	0	0	0	0	112.4	Y604 N620	Y604-T616 HydrophobicContact CD1-CG2 3.95Å; Y604-T616 HydrophobicContact CD2-CG2 4.42Å; Y604-T616 HydrophobicContact CE1-CG2 3.62Å; Y604-T616 HydrophobicContact CE2-CG2 4.13Å; Y604-T616 WeakPolarHBondContact CE2-OG1 3.46Å; Y604-T616 HydrophobicContact CG-CG2 4.33Å; Y604-T616 PolarHBondContact OH-OG1 3Å; Y604-T616 VanDerWaalsContact OH-OG1 3.04Å; T616-N620 WeakPolarHBondContact O-CB 3.47Å; T616-N620 PolarHBondContact O-N 3.12Å; T616-N620 PolarHBondContact O-ND2 2.89Å
617	S	73	Confident	74.1	Confident	61 Å²	61	65.3 Å²	65.3	43%	0.427	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-45.6	176.1	48.5	0	0	0	0	112.1	H615 Y621	H615-S617 PolarHBondContact O-N 2.88Å; S617-Y621 WeakPolarHBondContact O-CB 3.49Å; S617-Y621 PolarHBondContact O-N 3.37Å
618	E	73.3	Confident	73.9	Confident	90 Å²	90	63.4 Å²	63.4	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-46.5	177.7	-57.2	179.6	124.2	0	0	111.1	F613 H615 N620 Y621 H622	F613-E618 HydrophobicContact CB-CB 4.22Å; F613-E618 HydrophobicContact CD1-CB 3.65Å; F613-E618 HydrophobicContact CE1-CB 4.46Å; F613-E618 HydrophobicContact CG-CB 4.21Å; H615-E618 HydrophobicContact CB-CG 4.23Å; H615-E618 IonicContact CD2-OE2 2.8Å; H615-E618 PolarHBondContact N-OE2 2.93Å; H615-E618 PolarHBondContact O-N 2.88Å; E618-N620 PolarHBondContact O-N 3.27Å; E618-Y621 PolarHBondContact O-N 2.82Å; E618-H622 VanDerWaalsContact O-CB 3.29Å; E618-H622 WeakPolarHBondContact O-CB 3.28Å; E618-H622 PolarHBondContact O-N 2.79Å
619	F	79.1	Confident	73.6	Confident	30 Å²	30	65.4 Å²	65.4	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-47.6	176.2	170.2	-117.3	0	0	0	112.1	Y604 S605 C606 F613 H615 H622 R623	Y604-F619 HydrophobicContact CD1-CD1 4.5Å; Y604-F619 HydrophobicContact CG-CB 4.4Å; Y604-F619 HydrophobicContact CG-CD1 4.43Å; S605-F619 WeakPolarHBondContact O-CE2 3.44Å; C606-F619 HydrophobicContact CB-CD2 4.04Å; C606-F619 HydrophobicContact CB-CE2 3.76Å; F613-F619 HydrophobicContact CB-CB 4.11Å; F613-F619 HydrophobicContact CD2-CB 4.09Å; F613-F619 HydrophobicContact CD2-CD2 4.14Å; F613-F619 HydrophobicContact CG-CB 4.21Å; H615-F619 PolarHBondContact O-N 3.39Å; F619-H622 PolarHBondContact O-N 3.25Å; F619-R623 WeakPolarHBondContact O-CB 3.34Å; F619-R623 PolarHBondContact O-N 3.1Å
620	N	74.3	Confident	73.6	Confident	52 Å²	52	67.7 Å²	67.7	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.4	-79.5	-64.9	0	0	0	112.8	T616 E618 R623 R624	T616-N620 WeakPolarHBondContact O-CB 3.47Å; T616-N620 PolarHBondContact O-N 3.12Å; T616-N620 PolarHBondContact O-ND2 2.89Å; E618-N620 PolarHBondContact O-N 3.27Å; N620-R623 PolarHBondContact O-N 3.22Å; N620-R623 PolarHBondContact OD1-NH1 3.31Å; N620-R624 WeakPolarHBondContact O-CG 3.46Å; N620-R624 PolarHBondContact O-N 3.13Å
621	Y	75.9	Confident	73.6	Confident	93 Å²	93	68.7 Å²	68.7	37%	0.365	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-41.8	172.9	172.3	-99.7	0	0	0	111.8	S617 E618 R624 R642	S617-Y621 WeakPolarHBondContact O-CB 3.49Å; S617-Y621 PolarHBondContact O-N 3.37Å; E618-Y621 PolarHBondContact O-N 2.82Å; Y621-R624 WeakPolarHBondContact O-CB 3.41Å; Y621-R624 PolarHBondContact O-N 3.39Å; Y621-R642 HydrophobicContact CD2-CB 4.43Å; Y621-R642 HydrophobicContact CE2-CB 3.74Å
622	H	78.7	Confident	73.4	Confident	11 Å²	11	65.2 Å²	65.2	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-39.8	175.2	167.8	58.7	0	0	0	111.9	C606 C609 F613 E618 F619 R624 I625 H626	C606-H622 WeakPolarHBondContact CB-CD2 3.4Å; C606-H622 VanDerWaalsContact CB-NE2 3.25Å; C606-H622 WeakPolarHBondContact CB-NE2 3.5Å; C606-H622 VanDerWaalsContact SG-CD2 3.55Å; C609-H622 PolarHBondContact SG-NE2 2.87Å; C609-H622 VanDerWaalsContact SG-NE2 3.42Å; F613-H622 HydrophobicContact CE1-CB 4.09Å; F613-H622 HydrophobicContact CE2-CB 4.08Å; F613-H622 AromaticContact CE2-CD2 3.13Å; F613-H622 WeakPolarHBondContact CE2-CD2 3.45Å; F613-H622 AromaticContact CE2-CG 3.73Å; F613-H622 AromaticContact CE2-NE2 3.76Å; F613-H622 HydrophobicContact CZ-CB 3.61Å; F613-H622 AromaticContact CZ-CD2 3.26Å; F613-H622 WeakPolarHBondContact CZ-CD2 3.28Å; F613-H622 AromaticContact CZ-CG 3.36Å; F613-H622 AromaticContact CZ-NE2 3.85Å; E618-H622 VanDerWaalsContact O-CB 3.29Å; E618-H622 WeakPolarHBondContact O-CB 3.28Å; E618-H622 PolarHBondContact O-N 2.79Å; F619-H622 PolarHBondContact O-N 3.25Å; H622-R624 PolarHBondContact O-N 2.56Å; H622-I625 WeakPolarHBondContact O-CB 3.36Å; H622-I625 WeakPolarHBondContact O-CG1 3.3Å; H622-I625 PolarHBondContact O-N 3.24Å; H622-H626 AromaticContact CE1-CD2 3.66Å; H622-H626 AromaticContact CE1-CE1 3.91Å; H622-H626 AromaticContact CE1-NE2 2.99Å; H622-H626 PolarHBondContact CE1-NE2 3.13Å; H622-H626 AromaticContact ND1-NE2 3.83Å; H622-H626 AromaticContact NE2-CD2 3.79Å; H622-H626 AromaticContact NE2-NE2 3.32Å; H622-H626 PolarHBondContact NE2-NE2 2.84Å
623	R	73.4	Confident	73.3	Confident	95 Å²	95	61.6 Å²	61.6	36%	0.358	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-33.8	173.5	-161.2	176.5	80.5	-154.4	5.7	112.7	E284 F619 N620 I625 H626 T627	E284-R623 HydrophobicContact CG-CG 4.43Å; E284-R623 VanDerWaalsContact OE1-CD 3.26Å; E284-R623 WeakPolarHBondContact OE1-CD 3.1Å; E284-R623 WeakPolarHBondContact OE1-CG 3.18Å; E284-R623 IonicContact OE1-NE 2.69Å; F619-R623 WeakPolarHBondContact O-CB 3.34Å; F619-R623 PolarHBondContact O-N 3.1Å; N620-R623 PolarHBondContact O-N 3.22Å; N620-R623 PolarHBondContact OD1-NH1 3.31Å; R623-I625 VanDerWaalsContact C-N 3.27Å; R623-I625 PolarHBondContact O-N 2.86Å; R623-H626 WeakPolarHBondContact O-CA 3.49Å; R623-H626 VanDerWaalsContact O-CB 3.32Å; R623-H626 WeakPolarHBondContact O-CB 3.42Å; R623-H626 PolarHBondContact O-N 3.25Å; R623-T627 HydrophobicContact CG-CG2 4.47Å; R623-T627 PolarHBondContact O-N 3.22Å; R623-T627 PolarHBondContact O-OG1 3.33Å
624	R	76.1	Confident	72.8	Confident	63 Å²	63	59.8 Å²	59.8	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-68.5	-18.2	173.6	-65.9	172.8	-172.8	173.7	2	115	N620 Y621 H622 T627 G628 E629 Y632 R642	N620-R624 WeakPolarHBondContact O-CG 3.46Å; N620-R624 PolarHBondContact O-N 3.13Å; Y621-R624 WeakPolarHBondContact O-CB 3.41Å; Y621-R624 PolarHBondContact O-N 3.39Å; H622-R624 PolarHBondContact O-N 2.56Å; R624-T627 WeakPolarHBondContact CA-OG1 3.41Å; R624-G628 CarbonylContact O-C 3.34Å; R624-G628 PolarHBondContact O-N 3.01Å; R624-E629 HydrophobicContact CB-CB 4.37Å; R624-E629 HydrophobicContact CG-CB 4.14Å; R624-E629 PolarHBondContact O-N 3.34Å; R624-Y632 PolarHBondContact NH1-OH 3.41Å; R624-R642 HydrophobicContact CB-CB 4.47Å; R624-R642 PolarHBondContact NH1-O 3.22Å; R624-R642 WeakPolarHBondContact O-CD 3.39Å; R624-R642 PolarHBondContact O-NE 3.13Å
625	I	74.3	Confident	72.5	Confident	72 Å²	72	65.8 Å²	65.8	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-35.9	168	-54	176.1	0	0	0	109.1	H622 R623 R642	H622-I625 WeakPolarHBondContact O-CB 3.36Å; H622-I625 WeakPolarHBondContact O-CG1 3.3Å; H622-I625 PolarHBondContact O-N 3.24Å; R623-I625 VanDerWaalsContact C-N 3.27Å; R623-I625 PolarHBondContact O-N 2.86Å; I625-R642 PolarHBondContact O-NH2 3.47Å
626	H	70.4	Confident	72	Confident	25 Å²	25	66.7 Å²	66.7	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-91	-46.9	-169.4	-67.5	-45.4	0	0	0	114.4	K283 E284 H622 R623 G628	K283-H626 VanDerWaalsContact C-CB 3.47Å; K283-H626 PolarHBondContact N-ND1 2.83Å; K283-H626 PolarHBondContact O-CE1 2.74Å; K283-H626 PolarHBondContact O-ND1 3.35Å; E284-H626 HydrophobicContact CB-CB 3.84Å; E284-H626 HydrophobicContact CG-CB 3.72Å; H622-H626 AromaticContact CE1-CD2 3.66Å; H622-H626 AromaticContact CE1-CE1 3.91Å; H622-H626 AromaticContact CE1-NE2 2.99Å; H622-H626 PolarHBondContact CE1-NE2 3.13Å; H622-H626 AromaticContact ND1-NE2 3.83Å; H622-H626 AromaticContact NE2-CD2 3.79Å; H622-H626 AromaticContact NE2-NE2 3.32Å; H622-H626 PolarHBondContact NE2-NE2 2.84Å; R623-H626 WeakPolarHBondContact O-CA 3.49Å; R623-H626 VanDerWaalsContact O-CB 3.32Å; R623-H626 WeakPolarHBondContact O-CB 3.42Å; R623-H626 PolarHBondContact O-N 3.25Å; H626-G628 PolarHBondContact O-N 2.92Å
627	T	66.3	Low	71.6	Confident	56 Å²	56	65 Å²	65	34%	0.344	32%	0.324	S	S	.	.	S	Bend	trans	-61.4	-22.9	168.3	56.7	0	0	0	0	111.9	E284 R623 R624 E629	E284-T627 WeakPolarHBondContact OE1-CG2 3.42Å; E284-T627 WeakPolarHBondContact OE2-CG2 3.44Å; R623-T627 HydrophobicContact CG-CG2 4.47Å; R623-T627 PolarHBondContact O-N 3.22Å; R623-T627 PolarHBondContact O-OG1 3.33Å; R624-T627 WeakPolarHBondContact CA-OG1 3.41Å; T627-E629 HydrophobicContact CG2-CG 4.48Å; T627-E629 PolarHBondContact O-N 3.36Å; T627-E629 WeakPolarHBondContact OG1-CB 3.43Å; T627-E629 VanDerWaalsContact OG1-CD 3.26Å; T627-E629 WeakPolarHBondContact OG1-CG 3.34Å; T627-E629 PolarHBondContact OG1-N 2.83Å; T627-E629 VanDerWaalsContact OG1-N 3.15Å; T627-E629 PolarHBondContact OG1-OE2 2.73Å
628	G	65.3	Low	71.5	Confident	33 Å²	33	67.6 Å²	67.6	34%	0.34	33%	0.329	S	S	.	.			trans	82.3	-7	-170.5	0	0	0	0	0	114.1	R624 H626 K630	R624-G628 CarbonylContact O-C 3.34Å; R624-G628 PolarHBondContact O-N 3.01Å; H626-G628 PolarHBondContact O-N 2.92Å; G628-K630 WeakPolarHBondContact O-CG 3.23Å; G628-K630 PolarHBondContact O-N 3.46Å
629	E	65.4	Low	71.3	Confident	96 Å²	96	69.1 Å²	69.1	45%	0.449	33%	0.334	S	S	.	.			trans	-54.3	126.2	-176.4	-71.9	165.1	143.5	0	0	112.8	R624 T627 P631	R624-E629 HydrophobicContact CB-CB 4.37Å; R624-E629 HydrophobicContact CG-CB 4.14Å; R624-E629 PolarHBondContact O-N 3.34Å; T627-E629 HydrophobicContact CG2-CG 4.48Å; T627-E629 PolarHBondContact O-N 3.36Å; T627-E629 WeakPolarHBondContact OG1-CB 3.43Å; T627-E629 VanDerWaalsContact OG1-CD 3.26Å; T627-E629 WeakPolarHBondContact OG1-CG 3.34Å; T627-E629 PolarHBondContact OG1-N 2.83Å; T627-E629 VanDerWaalsContact OG1-N 3.15Å; T627-E629 PolarHBondContact OG1-OE2 2.73Å; E629-P631 VanDerWaalsContact C-CD 3.49Å; E629-P631 WeakPolarHBondContact O-CD 3.09Å
630	K	74.4	Confident	70.9	Confident	101 Å²	101	73 Å²	73	44%	0.439	35%	0.351	S	S	.	.			trans	-122.2	70.7	176	-55.4	-171.3	-165.2	169.7	0	110.5	G628 Y632 F640 F641 R642	G628-K630 WeakPolarHBondContact O-CG 3.23Å; G628-K630 PolarHBondContact O-N 3.46Å; K630-Y632 PolarHBondContact O-N 2.99Å; K630-F640 HydrophobicContact CB-CB 3.5Å; K630-F640 VanDerWaalsContact CB-CB 3.5Å; K630-F640 HydrophobicContact CD-CB 4.03Å; K630-F640 WeakPolarHBondContact CD-O 3.44Å; K630-F640 HydrophobicContact CG-CB 4.4Å; K630-F640 WeakPolarHBondContact O-CD1 3.25Å; K630-F641 CarbonylContact C-O 3.45Å; K630-F641 VanDerWaalsContact CA-O 3.31Å; K630-F641 WeakPolarHBondContact CA-O 3.49Å; K630-R642 HydrophobicContact CG-CG 4.02Å
631	P	69.8	Low	71	Confident	71 Å²	71	72.6 Å²	72.6	46%	0.461	35%	0.347	S	S	.	.			trans	-70.1	-2.5	-166.8	27.9	-36.1	0	0	0	115.6	E629	E629-P631 VanDerWaalsContact C-CD 3.49Å; E629-P631 WeakPolarHBondContact O-CD 3.09Å
632	Y	69.9	Low	70.8	Confident	49 Å²	49	71.7 Å²	71.7	19%	0.192	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.7	179.2	-51	-70.6	0	0	0	111	R624 K630 F640 F641 R642 R644 I647	R624-Y632 PolarHBondContact NH1-OH 3.41Å; K630-Y632 PolarHBondContact O-N 2.99Å; Y632-F640 CarbonylContact O-C 3.47Å; Y632-F640 WeakPolarHBondContact O-CA 3Å; Y632-F641 PolarHBondContact N-O 3.11Å; Y632-F641 VanDerWaalsContact N-O 3.11Å; Y632-F641 PolarHBondContact O-N 2.84Å; Y632-R642 WeakPolarHBondContact CE2-O 3.43Å; Y632-R644 HydrophobicContact CD1-CG 4.2Å; Y632-R644 HydrophobicContact CE1-CG 3.67Å; Y632-R644 HydrophobicContact CE2-CG 4.24Å; Y632-I647 HydrophobicContact CG-CG2 4.29Å
633	Q	72.6	Confident	70.4	Confident	84 Å²	84	71.4 Å²	71.4	39%	0.393	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.5	175.8	-161.8	-176	19.4	0	0	111.5	K635 H638 F640 I647	Q633-K635 PolarHBondContact O-N 3.1Å; Q633-H638 WeakPolarHBondContact CG-O 3.23Å; Q633-H638 PolarHBondContact NE2-O 3.18Å; Q633-H638 VanDerWaalsContact NE2-O 3.13Å; Q633-F640 HydrophobicContact CB-CD1 3.63Å; Q633-F640 HydrophobicContact CB-CE1 3.64Å; Q633-F640 HydrophobicContact CB-CG 4.34Å; Q633-F640 HydrophobicContact CB-CZ 4.35Å; Q633-F640 HydrophobicContact CG-CD1 3.71Å; Q633-F640 HydrophobicContact CG-CD2 4.23Å; Q633-F640 HydrophobicContact CG-CE1 3.55Å; Q633-F640 HydrophobicContact CG-CE2 4.08Å; Q633-F640 HydrophobicContact CG-CG 4.06Å; Q633-F640 HydrophobicContact CG-CZ 3.75Å; Q633-I647 VanDerWaalsContact C-CD1 3.43Å; Q633-I647 VanDerWaalsContact O-CD1 3.25Å; Q633-I647 WeakPolarHBondContact O-CD1 3.36Å
634	C	69.3	Low	70.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.348	C	S	.	.			trans	-71.1	120.6	166.6	-177.9	0	0	0	0	110.1	V636 H638 K639 F641 H654	C634-V636 PolarHBondContact O-N 3.4Å; C634-H638 WeakPolarHBondContact O-CA 3.27Å; C634-H638 PolarHBondContact O-N 3.06Å; C634-K639 WeakPolarHBondContact CB-O 3.32Å; C634-K639 PolarHBondContact N-O 3.29Å; C634-F641 HydrophobicContact CB-CE2 4.2Å; C634-H654 VanDerWaalsContact SG-CD2 3.53Å; C634-H654 PolarHBondContact SG-NE2 3.5Å
635	K	69.3	Low	69.7	Low	175 Å²	175	73.9 Å²	73.9	76%	0.761	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.6	177.9	-65.8	-175.3	179.8	178.8	0	114.3	Q633	Q633-K635 PolarHBondContact O-N 3.1Å
636	V	64.9	Low	69.4	Low	84 Å²	84	72.6 Å²	72.6	51%	0.509	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-46	-174.2	-174.7	0	0	0	0	112.7	C634 H654	C634-V636 PolarHBondContact O-N 3.4Å; V636-H654 HydrophobicContact CB-CB 4.37Å; V636-H654 HydrophobicContact CG1-CB 4.12Å; V636-H654 HydrophobicContact CG2-CB 4.22Å
637	C	67.8	Low	69.4	Low	23 Å²	23	72.5 Å²	72.5	16%	0.155	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	13.2	-177.5	77.2	0	0	0	0	113.4	K639 H650 H701	C637-K639 PolarHBondContact O-N 3.49Å; C637-H650 PolarHBondContact SG-NE2 3.48Å; C637-H701 WeakPolarHBondContact CB-NE2 3.34Å
638	H	72.1	Confident	69.4	Low	116 Å²	116	73.9 Å²	73.9	54%	0.537	36%	0.363	S	S	.	.			trans	56.1	4.4	177.1	-59.9	-65.7	0	0	0	117.3	Q633 C634 F640	Q633-H638 WeakPolarHBondContact CG-O 3.23Å; Q633-H638 PolarHBondContact NE2-O 3.18Å; Q633-H638 VanDerWaalsContact NE2-O 3.13Å; C634-H638 WeakPolarHBondContact O-CA 3.27Å; C634-H638 PolarHBondContact O-N 3.06Å; H638-F640 VanDerWaalsContact O-CD2 3.25Å; H638-F640 WeakPolarHBondContact O-CD2 3.42Å; H638-F640 VanDerWaalsContact O-CE2 3.31Å; H638-F640 WeakPolarHBondContact O-CE2 3.38Å
639	K	67.3	Low	69.4	Low	122 Å²	122	73.7 Å²	73.7	53%	0.53	36%	0.356	S	S	.	.			trans	-66	137.4	175.3	-69.8	-179.2	-178.6	-179.8	0	110.9	C634 C637 F641	C634-K639 WeakPolarHBondContact CB-O 3.32Å; C634-K639 PolarHBondContact N-O 3.29Å; C637-K639 PolarHBondContact O-N 3.49Å; K639-F641 HydrophobicContact CB-CE2 3.79Å; K639-F641 HydrophobicContact CB-CZ 4.13Å; K639-F641 WeakPolarHBondContact O-CD2 3.3Å; K639-F641 VanDerWaalsContact O-CE2 3.29Å; K639-F641 WeakPolarHBondContact O-CE2 3.33Å
640	F	72.1	Confident	69.6	Low	111 Å²	111	70.4 Å²	70.4	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.9	-177.7	-63.2	-99.1	0	0	0	112.4	K630 Y632 Q633 H638	K630-F640 HydrophobicContact CB-CB 3.5Å; K630-F640 VanDerWaalsContact CB-CB 3.5Å; K630-F640 HydrophobicContact CD-CB 4.03Å; K630-F640 WeakPolarHBondContact CD-O 3.44Å; K630-F640 HydrophobicContact CG-CB 4.4Å; K630-F640 WeakPolarHBondContact O-CD1 3.25Å; Y632-F640 CarbonylContact O-C 3.47Å; Y632-F640 WeakPolarHBondContact O-CA 3Å; Q633-F640 HydrophobicContact CB-CD1 3.63Å; Q633-F640 HydrophobicContact CB-CE1 3.64Å; Q633-F640 HydrophobicContact CB-CG 4.34Å; Q633-F640 HydrophobicContact CB-CZ 4.35Å; Q633-F640 HydrophobicContact CG-CD1 3.71Å; Q633-F640 HydrophobicContact CG-CD2 4.23Å; Q633-F640 HydrophobicContact CG-CE1 3.55Å; Q633-F640 HydrophobicContact CG-CE2 4.08Å; Q633-F640 HydrophobicContact CG-CG 4.06Å; Q633-F640 HydrophobicContact CG-CZ 3.75Å; H638-F640 VanDerWaalsContact O-CD2 3.25Å; H638-F640 WeakPolarHBondContact O-CD2 3.42Å; H638-F640 VanDerWaalsContact O-CE2 3.31Å; H638-F640 WeakPolarHBondContact O-CE2 3.38Å
641	F	75.8	Confident	69	Low	44 Å²	44	69 Å²	69	19%	0.193	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.7	-174	-63.7	-92.1	0	0	0	112.3	K630 Y632 C634 K639 I647 H650	K630-F641 CarbonylContact C-O 3.45Å; K630-F641 VanDerWaalsContact CA-O 3.31Å; K630-F641 WeakPolarHBondContact CA-O 3.49Å; Y632-F641 PolarHBondContact N-O 3.11Å; Y632-F641 VanDerWaalsContact N-O 3.11Å; Y632-F641 PolarHBondContact O-N 2.84Å; C634-F641 HydrophobicContact CB-CE2 4.2Å; K639-F641 HydrophobicContact CB-CE2 3.79Å; K639-F641 HydrophobicContact CB-CZ 4.13Å; K639-F641 WeakPolarHBondContact O-CD2 3.3Å; K639-F641 VanDerWaalsContact O-CE2 3.29Å; K639-F641 WeakPolarHBondContact O-CE2 3.33Å; F641-I647 HydrophobicContact CB-CB 4.09Å; F641-I647 HydrophobicContact CD2-CB 4.18Å; F641-I647 HydrophobicContact CD2-CG1 4.26Å; F641-I647 HydrophobicContact CG-CB 4.19Å; F641-H650 HydrophobicContact CE1-CB 3.94Å; F641-H650 HydrophobicContact CE2-CB 4.28Å; F641-H650 AromaticContact CE2-CD2 3.17Å; F641-H650 WeakPolarHBondContact CE2-CD2 3.41Å; F641-H650 AromaticContact CE2-CG 3.86Å; F641-H650 AromaticContact CE2-NE2 3.81Å; F641-H650 HydrophobicContact CZ-CB 3.74Å; F641-H650 AromaticContact CZ-CD2 3.15Å; F641-H650 WeakPolarHBondContact CZ-CD2 3.45Å; F641-H650 AromaticContact CZ-CG 3.38Å; F641-H650 AromaticContact CZ-NE2 3.75Å
642	R	71.8	Confident	68.6	Low	75 Å²	75	69.7 Å²	69.7	28%	0.283	33%	0.331	S	S	.	.	S	Bend	trans	-86.8	-23.6	-173.6	-63.8	-172.5	164.6	109.7	-11.5	114.7	Y621 R624 I625 K630 Y632	Y621-R642 HydrophobicContact CD2-CB 4.43Å; Y621-R642 HydrophobicContact CE2-CB 3.74Å; R624-R642 HydrophobicContact CB-CB 4.47Å; R624-R642 PolarHBondContact NH1-O 3.22Å; R624-R642 WeakPolarHBondContact O-CD 3.39Å; R624-R642 PolarHBondContact O-NE 3.13Å; I625-R642 PolarHBondContact O-NH2 3.47Å; K630-R642 HydrophobicContact CG-CG 4.02Å; Y632-R642 WeakPolarHBondContact CE2-O 3.43Å
643	G	70.7	Confident	68.1	Low	5 Å²	5	68.5 Å²	68.5	5%	0.052	33%	0.328	C	S	.	.	S	Bend	trans	-142.2	147.6	-174	0	0	0	0	0	114.1	S645 T646 I647	G643-S645 VanDerWaalsContact C-N 3.32Å; G643-S645 PolarHBondContact O-N 3.43Å; G643-T646 PolarHBondContact N-OG1 2.97Å; G643-T646 PolarHBondContact O-N 2.94Å; G643-T646 PolarHBondContact O-OG1 3.22Å; G643-I647 PolarHBondContact O-N 3.3Å; G643-I647 VanDerWaalsContact O-N 3.17Å
644	R	68.2	Low	67.4	Low	122 Å²	122	65.1 Å²	65.1	46%	0.46	31%	0.313	S	S	.	.	H	α-helix	trans	-54.6	-42.9	-179.5	-73.2	-172.7	170.6	106.1	-8.2	113.1	T190 Y632 T646 I647 K648	T190-R644 PolarHBondContact OG1-NH2 2.98Å; Y632-R644 HydrophobicContact CD1-CG 4.2Å; Y632-R644 HydrophobicContact CE1-CG 3.67Å; Y632-R644 HydrophobicContact CE2-CG 4.24Å; R644-T646 VanDerWaalsContact C-N 3.35Å; R644-T646 PolarHBondContact O-N 3.43Å; R644-I647 WeakPolarHBondContact O-CG2 3.21Å; R644-I647 PolarHBondContact O-N 3.22Å; R644-K648 VanDerWaalsContact O-CB 3.29Å; R644-K648 WeakPolarHBondContact O-CB 3.42Å; R644-K648 PolarHBondContact O-N 3.45Å
645	S	66.2	Low	66.6	Low	87 Å²	87	69 Å²	69	61%	0.608	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-41	175.4	52.2	0	0	0	0	112.6	G643 K648 C649	G643-S645 VanDerWaalsContact C-N 3.32Å; G643-S645 PolarHBondContact O-N 3.43Å; S645-K648 PolarHBondContact O-N 3.04Å; S645-C649 WeakPolarHBondContact O-CB 3.31Å; S645-C649 PolarHBondContact O-N 3.4Å
646	T	67.5	Low	66	Low	46 Å²	46	61.4 Å²	61.4	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-69.3	-38.8	-179.8	61.1	0	0	0	0	113.2	G643 R644 C649 H650	G643-T646 PolarHBondContact N-OG1 2.97Å; G643-T646 PolarHBondContact O-N 2.94Å; G643-T646 PolarHBondContact O-OG1 3.22Å; R644-T646 VanDerWaalsContact C-N 3.35Å; R644-T646 PolarHBondContact O-N 3.43Å; T646-C649 WeakPolarHBondContact O-CB 3.15Å; T646-H650 WeakPolarHBondContact O-CB 3.45Å; T646-H650 PolarHBondContact O-N 3.49Å
647	I	70.2	Confident	65.6	Low	22 Å²	22	58.4 Å²	58.4	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-71.1	-37.8	172.6	-176.2	168.6	0	0	0	111.7	Y632 Q633 F641 G643 R644 C649 H650 L651	Y632-I647 HydrophobicContact CG-CG2 4.29Å; Q633-I647 VanDerWaalsContact C-CD1 3.43Å; Q633-I647 VanDerWaalsContact O-CD1 3.25Å; Q633-I647 WeakPolarHBondContact O-CD1 3.36Å; F641-I647 HydrophobicContact CB-CB 4.09Å; F641-I647 HydrophobicContact CD2-CB 4.18Å; F641-I647 HydrophobicContact CD2-CG1 4.26Å; F641-I647 HydrophobicContact CG-CB 4.19Å; G643-I647 PolarHBondContact O-N 3.3Å; G643-I647 VanDerWaalsContact O-N 3.17Å; R644-I647 WeakPolarHBondContact O-CG2 3.21Å; R644-I647 PolarHBondContact O-N 3.22Å; I647-C649 VanDerWaalsContact C-N 3.34Å; I647-C649 PolarHBondContact O-N 3.25Å; I647-H650 CarbonylContact O-C 3.52Å; I647-H650 PolarHBondContact O-N 3.41Å; I647-H650 VanDerWaalsContact O-N 3.13Å; I647-L651 HydrophobicContact CG1-CD1 4.05Å; I647-L651 HydrophobicContact CG1-CG 4.15Å; I647-L651 WeakPolarHBondContact O-CG 3.4Å; I647-L651 PolarHBondContact O-N 3.23Å
648	K	67.8	Low	65	Low	86 Å²	86	61.7 Å²	61.7	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-39	176.5	-167.2	176.3	-167.4	176.9	0	112.1	N192 E193 R644 S645	N192-K648 VanDerWaalsContact C-NZ 3.32Å; N192-K648 PolarHBondContact O-NZ 3.36Å; E193-K648 VanDerWaalsContact C-NZ 3.32Å; E193-K648 PolarHBondContact O-NZ 3.32Å; R644-K648 VanDerWaalsContact O-CB 3.29Å; R644-K648 WeakPolarHBondContact O-CB 3.42Å; R644-K648 PolarHBondContact O-N 3.45Å; S645-K648 PolarHBondContact O-N 3.04Å
649	C	63.8	Low	64.6	Low	28 Å²	28	56.3 Å²	56.3	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-46.9	169	-177.4	0	0	0	0	110.9	S645 T646 I647 R652 S670	S645-C649 WeakPolarHBondContact O-CB 3.31Å; S645-C649 PolarHBondContact O-N 3.4Å; T646-C649 WeakPolarHBondContact O-CB 3.15Å; I647-C649 VanDerWaalsContact C-N 3.34Å; I647-C649 PolarHBondContact O-N 3.25Å; C649-R652 WeakPolarHBondContact O-CB 3.43Å; C649-S670 PolarHBondContact O-OG 3.39Å; C649-S670 PolarHBondContact SG-OG 3.12Å
650	H	69.5	Low	64.7	Low	27 Å²	27	53.1 Å²	53.1	13%	0.125	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-37.9	177.9	172.3	49.6	0	0	0	114.4	C637 F641 T646 I647 R652 T653 H654	C637-H650 PolarHBondContact SG-NE2 3.48Å; F641-H650 HydrophobicContact CE1-CB 3.94Å; F641-H650 HydrophobicContact CE2-CB 4.28Å; F641-H650 AromaticContact CE2-CD2 3.17Å; F641-H650 WeakPolarHBondContact CE2-CD2 3.41Å; F641-H650 AromaticContact CE2-CG 3.86Å; F641-H650 AromaticContact CE2-NE2 3.81Å; F641-H650 HydrophobicContact CZ-CB 3.74Å; F641-H650 AromaticContact CZ-CD2 3.15Å; F641-H650 WeakPolarHBondContact CZ-CD2 3.45Å; F641-H650 AromaticContact CZ-CG 3.38Å; F641-H650 AromaticContact CZ-NE2 3.75Å; T646-H650 WeakPolarHBondContact O-CB 3.45Å; T646-H650 PolarHBondContact O-N 3.49Å; I647-H650 CarbonylContact O-C 3.52Å; I647-H650 PolarHBondContact O-N 3.41Å; I647-H650 VanDerWaalsContact O-N 3.13Å; H650-R652 PolarHBondContact O-N 3.37Å; H650-R652 VanDerWaalsContact O-N 3.09Å; H650-T653 PolarHBondContact ND1-OG1 3.48Å; H650-T653 WeakPolarHBondContact O-CB 3.47Å; H650-T653 PolarHBondContact O-N 3.06Å; H650-T653 PolarHBondContact O-OG1 2.81Å; H650-H654 AromaticContact CD2-NE2 3.91Å; H650-H654 AromaticContact CE1-CD2 3.98Å; H650-H654 AromaticContact CE1-CE1 3.71Å; H650-H654 AromaticContact CE1-NE2 3.09Å; H650-H654 PolarHBondContact CE1-NE2 3.13Å; H650-H654 AromaticContact NE2-CD2 3.89Å; H650-H654 AromaticContact NE2-CE1 3.92Å; H650-H654 AromaticContact NE2-NE2 3Å; H650-H654 PolarHBondContact NE2-NE2 3.15Å
651	L	62	Low	64.7	Low	72 Å²	72	51.4 Å²	51.4	38%	0.377	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-26.7	-179.3	-75.6	165.9	0	0	0	112.5	I647 T653 H654 S655	I647-L651 HydrophobicContact CG1-CD1 4.05Å; I647-L651 HydrophobicContact CG1-CG 4.15Å; I647-L651 WeakPolarHBondContact O-CG 3.4Å; I647-L651 PolarHBondContact O-N 3.23Å; L651-T653 PolarHBondContact O-N 3.22Å; L651-H654 PolarHBondContact O-N 2.95Å; L651-H654 VanDerWaalsContact O-N 3.09Å; L651-S655 PolarHBondContact O-N 2.95Å; L651-S655 VanDerWaalsContact O-N 3.13Å
652	R	61.3	Low	64.6	Low	86 Å²	86	49.3 Å²	49.3	33%	0.325	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.7	171.2	-64.5	178.2	-179.6	-175.1	-0.8	113.9	C649 H650 H654 A657 M659 S670	C649-R652 WeakPolarHBondContact O-CB 3.43Å; H650-R652 PolarHBondContact O-N 3.37Å; H650-R652 VanDerWaalsContact O-N 3.09Å; R652-H654 VanDerWaalsContact C-N 3.3Å; R652-A657 HydrophobicContact CB-CB 4.01Å; R652-A657 WeakPolarHBondContact O-CB 3.49Å; R652-A657 PolarHBondContact O-N 3.42Å; R652-M659 HydrophobicContact CB-CE 3.96Å; R652-M659 VanDerWaalsContact O-CE 3.23Å; R652-M659 WeakPolarHBondContact O-CE 3.4Å; R652-S670 PolarHBondContact NH1-O 2.67Å; R652-S670 VanDerWaalsContact NH1-O 3.07Å
653	T	61	Low	64.4	Low	23 Å²	23	48 Å²	48	14%	0.141	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.8	176.7	72.1	0	0	0	0	113	H650 L651 M659 I699	H650-T653 PolarHBondContact ND1-OG1 3.48Å; H650-T653 WeakPolarHBondContact O-CB 3.47Å; H650-T653 PolarHBondContact O-N 3.06Å; H650-T653 PolarHBondContact O-OG1 2.81Å; L651-T653 PolarHBondContact O-N 3.22Å; T653-M659 HydrophobicContact CG2-CE 4.07Å; T653-M659 HydrophobicContact CG2-SD 4.05Å; T653-I699 HydrophobicContact CG2-CD1 4.49Å; T653-I699 PolarHBondContact O-N 3.02Å; T653-I699 VanDerWaalsContact O-N 3.14Å
654	H	56.8	Low	64.2	Low	14 Å²	14	50.4 Å²	50.4	7%	0.065	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-27.8	175.3	-57.5	-57.2	0	0	0	112.6	C634 V636 H650 L651 R652 G656 Y698 H701	C634-H654 VanDerWaalsContact SG-CD2 3.53Å; C634-H654 PolarHBondContact SG-NE2 3.5Å; V636-H654 HydrophobicContact CB-CB 4.37Å; V636-H654 HydrophobicContact CG1-CB 4.12Å; V636-H654 HydrophobicContact CG2-CB 4.22Å; H650-H654 AromaticContact CD2-NE2 3.91Å; H650-H654 AromaticContact CE1-CD2 3.98Å; H650-H654 AromaticContact CE1-CE1 3.71Å; H650-H654 AromaticContact CE1-NE2 3.09Å; H650-H654 PolarHBondContact CE1-NE2 3.13Å; H650-H654 AromaticContact NE2-CD2 3.89Å; H650-H654 AromaticContact NE2-CE1 3.92Å; H650-H654 AromaticContact NE2-NE2 3Å; H650-H654 PolarHBondContact NE2-NE2 3.15Å; L651-H654 PolarHBondContact O-N 2.95Å; L651-H654 VanDerWaalsContact O-N 3.09Å; R652-H654 VanDerWaalsContact C-N 3.3Å; H654-G656 VanDerWaalsContact C-N 3.27Å; H654-G656 PolarHBondContact O-N 3.41Å; H654-Y698 WeakPolarHBondContact O-CE2 3.44Å; H654-H701 AromaticContact CE1-CD2 3.64Å; H654-H701 AromaticContact CE1-NE2 3.59Å; H654-H701 AromaticContact ND1-CD2 3.92Å
655	S	53.4	Low	64.2	Low	82 Å²	82	47.7 Å²	47.7	57%	0.573	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	4.5	-175.5	74.2	0	0	0	0	114.7	L651	L651-S655 PolarHBondContact O-N 2.95Å; L651-S655 VanDerWaalsContact O-N 3.13Å
656	G	54.8	Low	64.2	Low	15 Å²	15	44.4 Å²	44.4	16%	0.155	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	79.2	-170.7	0	0	0	0	0	111.6	H654 F696 M697	H654-G656 VanDerWaalsContact C-N 3.27Å; H654-G656 PolarHBondContact O-N 3.41Å; G656-F696 VanDerWaalsContact C-CZ 3.43Å; G656-F696 WeakPolarHBondContact O-CE2 3.43Å; G656-F696 WeakPolarHBondContact O-CZ 3.48Å; G656-M697 WeakPolarHBondContact CA-O 3.34Å
657	A	56.6	Low	64.1	Low	21 Å²	21	46.2 Å²	46.2	17%	0.174	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	156.6	179.2	0	0	0	0	0	111.7	R652 M659 M697	R652-A657 HydrophobicContact CB-CB 4.01Å; R652-A657 WeakPolarHBondContact O-CB 3.49Å; R652-A657 PolarHBondContact O-N 3.42Å; A657-M659 HydrophobicContact CB-CE 3.86Å; A657-M659 PolarHBondContact O-N 3.31Å; A657-M659 VanDerWaalsContact O-N 3.11Å; A657-M697 PolarHBondContact N-O 2.85Å; A657-M697 PolarHBondContact O-N 2.86Å
658	L	55.2	Low	63.7	Low	91 Å²	91	48.7 Å²	48.7	48%	0.476	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	110.9	171.8	-68.4	169.3	0	0	0	109.7	Q694 F696	L658-Q694 HydrophobicContact CB-CG 3.96Å; L658-Q694 HydrophobicContact CD2-CG 4.34Å; L658-F696 HydrophobicContact CD2-CB 4.02Å; L658-F696 HydrophobicContact CD2-CD2 4.06Å; L658-F696 HydrophobicContact CG-CD2 4.29Å
659	M	65	Low	63.7	Low	3 Å²	3	44.9 Å²	44.9	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	150	172.7	-62.2	-65.9	132.8	0	0	109.7	R652 T653 A657 Y668 S670 Q694 T695 M697	R652-M659 HydrophobicContact CB-CE 3.96Å; R652-M659 VanDerWaalsContact O-CE 3.23Å; R652-M659 WeakPolarHBondContact O-CE 3.4Å; T653-M659 HydrophobicContact CG2-CE 4.07Å; T653-M659 HydrophobicContact CG2-SD 4.05Å; A657-M659 HydrophobicContact CB-CE 3.86Å; A657-M659 PolarHBondContact O-N 3.31Å; A657-M659 VanDerWaalsContact O-N 3.11Å; M659-Y668 HydrophobicContact CB-CD1 3.88Å; M659-S670 WeakPolarHBondContact SD-CA 3.46Å; M659-S670 WeakPolarHBondContact SD-CB 3.23Å; M659-Q694 CarbonylContact O-C 3.59Å; M659-Q694 WeakPolarHBondContact O-CA 3.47Å; M659-T695 PolarHBondContact N-O 2.99Å; M659-T695 PolarHBondContact O-N 2.96Å; M659-M697 HydrophobicContact CG-CB 3.82Å; M659-M697 HydrophobicContact CG-CG 4.34Å
660	Y	70	Confident	63.5	Low	55 Å²	55	44 Å²	44	22%	0.216	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.3	163.3	-60.5	-80	0	0	0	108.4	Y668 S669 L672 M675 I692 E693 Q694	Y660-Y668 CarbonylContact O-C 3.52Å; Y660-Y668 VanDerWaalsContact O-CA 3.29Å; Y660-Y668 WeakPolarHBondContact O-CA 3.46Å; Y660-S669 WeakPolarHBondContact CD2-O 3.47Å; Y660-S669 PolarHBondContact N-O 3.13Å; Y660-S669 PolarHBondContact O-N 2.71Å; Y660-L672 HydrophobicContact CD1-CD1 4.01Å; Y660-L672 HydrophobicContact CD2-CB 4.36Å; Y660-L672 HydrophobicContact CE1-CB 4.43Å; Y660-L672 HydrophobicContact CE1-CD1 4.15Å; Y660-L672 HydrophobicContact CE2-CB 4.03Å; Y660-L672 VanDerWaalsContact CE2-N 3.33Å; Y660-L672 HydrophobicContact CG-CD1 4.36Å; Y660-M675 WeakPolarHBondContact O-CE 3.48Å; Y660-I692 HydrophobicContact CD1-CG2 3.89Å; Y660-I692 HydrophobicContact CG-CG2 4.27Å; Y660-E693 CarbonylContact C-O 3.55Å; Y660-E693 WeakPolarHBondContact CA-O 3.38Å; Y660-Q694 HydrophobicContact CD1-CG 4.45Å; Y660-Q694 HydrophobicContact CE1-CG 4.21Å
661	R	70.3	Confident	63.2	Low	76 Å²	76	44 Å²	44	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.2	175.3	179.2	-179.1	162.2	89.5	3.5	109.3	H667 Y668 E693	R661-H667 WeakPolarHBondContact CA-O 3.19Å; R661-Y668 HydrophobicContact CB-CD1 3.73Å; R661-Y668 HydrophobicContact CB-CE1 3.55Å; R661-Y668 HydrophobicContact CG-CD1 4.17Å; R661-Y668 HydrophobicContact CG-CE1 3.71Å; R661-Y668 PolarHBondContact NH1-OH 3.45Å; R661-E693 HydrophobicContact CB-CB 4.23Å; R661-E693 WeakPolarHBondContact CD-OE2 3.46Å; R661-E693 PolarHBondContact N-O 2.86Å; R661-E693 IonicContact NE-OE2 3.88Å; R661-E693 PolarHBondContact NE-OE2 2.87Å; R661-E693 PolarHBondContact O-N 3.3Å
662	C	74.4	Confident	63.3	Low	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.5	168.5	-180	0	0	0	0	108.5	V664 C665 G666 H667 M675 H682	C662-V664 VanDerWaalsContact C-N 3.3Å; C662-V664 PolarHBondContact O-N 2.9Å; C662-C665 PolarHBondContact O-N 3.11Å; C662-C665 VanDerWaalsContact SG-SG 3.65Å; C662-G666 VanDerWaalsContact O-CA 3.25Å; C662-G666 WeakPolarHBondContact O-CA 3.43Å; C662-G666 PolarHBondContact O-N 2.94Å; C662-H667 PolarHBondContact N-O 2.97Å; C662-M675 HydrophobicContact CB-CE 3.89Å; C662-M675 HydrophobicContact CB-SD 3.8Å; C662-M675 VanDerWaalsContact N-CE 3.33Å; C662-H682 PolarHBondContact SG-NE2 2.91Å
663	T	68.6	Low	63.6	Low	48 Å²	48	41.8 Å²	41.8	29%	0.294	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.9	179.2	45.9	0	0	0	0	113.4	C665 F690 T691 E693	T663-C665 PolarHBondContact O-N 2.93Å; T663-F690 WeakPolarHBondContact OG1-CD2 3.1Å; T663-F690 VanDerWaalsContact OG1-CE2 3.27Å; T663-F690 WeakPolarHBondContact OG1-CE2 3.4Å; T663-T691 VanDerWaalsContact CG2-O 3.23Å; T663-T691 WeakPolarHBondContact CG2-O 3.29Å; T663-T691 PolarHBondContact OG1-O 3.37Å; T663-E693 HydrophobicContact CG2-CG 3.71Å
664	V	66	Low	64	Low	54 Å²	54	44.6 Å²	44.6	33%	0.327	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-39.9	179	-176.3	0	0	0	0	113.4	C662 S685 L686 F690	C662-V664 VanDerWaalsContact C-N 3.3Å; C662-V664 PolarHBondContact O-N 2.9Å; V664-S685 WeakPolarHBondContact CG1-O 3.4Å; V664-L686 HydrophobicContact CG2-CD2 3.95Å; V664-F690 HydrophobicContact CG2-CD2 3.56Å; V664-F690 HydrophobicContact CG2-CE2 3.88Å
665	C	68.6	Low	64.7	Low	66 Å²	66	44 Å²	44	45%	0.446	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	1.7	-169.4	69	0	0	0	0	114.9	C662 T663 H667 H678 H682	C662-C665 PolarHBondContact O-N 3.11Å; C662-C665 VanDerWaalsContact SG-SG 3.65Å; T663-C665 PolarHBondContact O-N 2.93Å; C665-H667 PolarHBondContact O-N 3.33Å; C665-H667 VanDerWaalsContact O-N 3.14Å; C665-H667 VanDerWaalsContact SG-CB 3.55Å; C665-H678 PolarHBondContact SG-NE2 3.27Å; C665-H682 PolarHBondContact SG-CE1 3.13Å; C665-H682 PolarHBondContact SG-NE2 2.85Å
666	G	64.5	Low	65.6	Low	17 Å²	17	43.2 Å²	43.2	18%	0.175	24%	0.239	C	C	.	.			trans	69.2	1.1	-178.2	0	0	0	0	0	115.9	C662 Y668	C662-G666 VanDerWaalsContact O-CA 3.25Å; C662-G666 WeakPolarHBondContact O-CA 3.43Å; C662-G666 PolarHBondContact O-N 2.94Å; G666-Y668 WeakPolarHBondContact O-CD2 3.44Å; G666-Y668 WeakPolarHBondContact O-CE2 3.18Å
667	H	65.6	Low	66.4	Low	85 Å²	85	50.3 Å²	50.3	39%	0.394	27%	0.265	S	S	.	.			trans	-64.6	141.1	179.6	178.4	-93.3	0	0	0	112	R661 C662 C665 S669 M675 H678	R661-H667 WeakPolarHBondContact CA-O 3.19Å; C662-H667 PolarHBondContact N-O 2.97Å; C665-H667 PolarHBondContact O-N 3.33Å; C665-H667 VanDerWaalsContact O-N 3.14Å; C665-H667 VanDerWaalsContact SG-CB 3.55Å; H667-S669 PolarHBondContact CE1-OG 2.69Å; H667-M675 WeakPolarHBondContact O-CE 3.3Å; H667-H678 VanDerWaalsContact CB-CE1 3.45Å; H667-H678 WeakPolarHBondContact CB-CE1 3.32Å; H667-H678 WeakPolarHBondContact CB-NE2 3.33Å; H667-H678 AromaticContact CE1-ND1 3.81Å; H667-H678 AromaticContact CG-CE1 3.46Å; H667-H678 VanDerWaalsContact CG-CE1 3.46Å; H667-H678 AromaticContact CG-ND1 3.74Å; H667-H678 AromaticContact CG-NE2 3.81Å; H667-H678 AromaticContact ND1-CD2 3.74Å; H667-H678 AromaticContact ND1-CE1 3.51Å; H667-H678 AromaticContact ND1-CG 3.53Å; H667-H678 AromaticContact ND1-ND1 3.39Å; H667-H678 PolarHBondContact ND1-ND1 3.18Å; H667-H678 AromaticContact ND1-NE2 3.72Å
668	Y	63.2	Low	67	Low	74 Å²	74	50.9 Å²	50.9	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.7	-176.3	-67.8	-88	0	0	0	112.7	M659 Y660 R661 G666 T695 M697	M659-Y668 HydrophobicContact CB-CD1 3.88Å; Y660-Y668 CarbonylContact O-C 3.52Å; Y660-Y668 VanDerWaalsContact O-CA 3.29Å; Y660-Y668 WeakPolarHBondContact O-CA 3.46Å; R661-Y668 HydrophobicContact CB-CD1 3.73Å; R661-Y668 HydrophobicContact CB-CE1 3.55Å; R661-Y668 HydrophobicContact CG-CD1 4.17Å; R661-Y668 HydrophobicContact CG-CE1 3.71Å; R661-Y668 PolarHBondContact NH1-OH 3.45Å; G666-Y668 WeakPolarHBondContact O-CD2 3.44Å; G666-Y668 WeakPolarHBondContact O-CE2 3.18Å; Y668-T695 HydrophobicContact CE1-CG2 4.37Å; Y668-M697 HydrophobicContact CD1-CG 3.99Å; Y668-M697 HydrophobicContact CD1-SD 3.43Å; Y668-M697 WeakPolarHBondContact CD1-SD 3.42Å; Y668-M697 HydrophobicContact CD2-SD 3.44Å; Y668-M697 WeakPolarHBondContact CD2-SD 3.48Å; Y668-M697 HydrophobicContact CE1-CG 3.73Å; Y668-M697 HydrophobicContact CE1-SD 3.4Å; Y668-M697 WeakPolarHBondContact CE1-SD 3.31Å; Y668-M697 HydrophobicContact CE2-CE 4.24Å; Y668-M697 HydrophobicContact CE2-SD 3.44Å; Y668-M697 WeakPolarHBondContact CE2-SD 3.41Å; Y668-M697 HydrophobicContact CG-SD 3.42Å
669	S	67.5	Low	67.8	Low	5 Å²	5	48 Å²	48	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132.7	178.2	-69.1	0	0	0	0	111.6	Y660 H667 T671	Y660-S669 WeakPolarHBondContact CD2-O 3.47Å; Y660-S669 PolarHBondContact N-O 3.13Å; Y660-S669 PolarHBondContact O-N 2.71Å; H667-S669 PolarHBondContact CE1-OG 2.69Å; S669-T671 VanDerWaalsContact C-N 3.26Å; S669-T671 PolarHBondContact O-N 2.84Å
670	S	58.3	Low	68.1	Low	9 Å²	9	50 Å²	50	6%	0.063	27%	0.271	C	S	.	.	S	Bend	trans	-83.7	8	-175.4	73.5	0	0	0	0	115	C649 R652 M659	C649-S670 PolarHBondContact O-OG 3.39Å; C649-S670 PolarHBondContact SG-OG 3.12Å; R652-S670 PolarHBondContact NH1-O 2.67Å; R652-S670 VanDerWaalsContact NH1-O 3.07Å; M659-S670 WeakPolarHBondContact SD-CA 3.46Å; M659-S670 WeakPolarHBondContact SD-CB 3.23Å
671	T	63.3	Low	68.1	Low	29 Å²	29	51.1 Å²	51.1	18%	0.178	28%	0.283	C	S	.	.	S	Bend	trans	-149.6	145.6	170.1	55.4	0	0	0	0	110	S669 N673 L674 M675	S669-T671 VanDerWaalsContact C-N 3.26Å; S669-T671 PolarHBondContact O-N 2.84Å; T671-N673 VanDerWaalsContact C-N 3.28Å; T671-N673 PolarHBondContact O-N 3.38Å; T671-L674 PolarHBondContact O-N 2.82Å; T671-L674 VanDerWaalsContact O-N 3.17Å; T671-M675 PolarHBondContact O-N 3.12Å
672	L	64.6	Low	68	Low	46 Å²	46	48.6 Å²	48.6	24%	0.241	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-38.1	178.4	-171.8	62.6	0	0	0	111.5	Y660 L674 M675 S676 I692	Y660-L672 HydrophobicContact CD1-CD1 4.01Å; Y660-L672 HydrophobicContact CD2-CB 4.36Å; Y660-L672 HydrophobicContact CE1-CB 4.43Å; Y660-L672 HydrophobicContact CE1-CD1 4.15Å; Y660-L672 HydrophobicContact CE2-CB 4.03Å; Y660-L672 VanDerWaalsContact CE2-N 3.33Å; Y660-L672 HydrophobicContact CG-CD1 4.36Å; L672-L674 PolarHBondContact O-N 3.22Å; L672-M675 CarbonylContact O-C 3.58Å; L672-M675 WeakPolarHBondContact O-CA 3.42Å; L672-M675 WeakPolarHBondContact O-CB 3.47Å; L672-M675 PolarHBondContact O-N 3.44Å; L672-S676 PolarHBondContact O-N 3.08Å; L672-S676 PolarHBondContact O-OG 2.92Å; L672-I692 HydrophobicContact CD1-CD1 3.9Å
673	N	68	Low	67.2	Low	64 Å²	64	54 Å²	54	34%	0.342	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-22	179.1	-60.7	-6.7	0	0	0	113.7	Q196 T197 T671 K677	Q196-N673 PolarHBondContact OE1-ND2 3.32Å; T197-N673 PolarHBondContact OG1-ND2 3.02Å; T197-N673 PolarHBondContact OG1-OD1 3.26Å; T197-N673 VanDerWaalsContact OG1-OD1 3.07Å; T671-N673 VanDerWaalsContact C-N 3.28Å; T671-N673 PolarHBondContact O-N 3.38Å; N673-K677 WeakPolarHBondContact O-CG 3.36Å
674	L	68.7	Low	66.8	Low	83 Å²	83	55.2 Å²	55.2	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-82.8	-39.8	169.5	-126.7	70.2	0	0	0	111	T671 L672 K677 H678	T671-L674 PolarHBondContact O-N 2.82Å; T671-L674 VanDerWaalsContact O-N 3.17Å; L672-L674 PolarHBondContact O-N 3.22Å; L674-K677 PolarHBondContact O-N 3.03Å; L674-H678 PolarHBondContact O-N 3.2Å
675	M	71.4	Confident	66.3	Low	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-46.1	174.6	-179.6	50.3	70	0	0	111.7	Y660 C662 H667 T671 L672 K677 H678 I679 I692	Y660-M675 WeakPolarHBondContact O-CE 3.48Å; C662-M675 HydrophobicContact CB-CE 3.89Å; C662-M675 HydrophobicContact CB-SD 3.8Å; C662-M675 VanDerWaalsContact N-CE 3.33Å; H667-M675 WeakPolarHBondContact O-CE 3.3Å; T671-M675 PolarHBondContact O-N 3.12Å; L672-M675 CarbonylContact O-C 3.58Å; L672-M675 WeakPolarHBondContact O-CA 3.42Å; L672-M675 WeakPolarHBondContact O-CB 3.47Å; L672-M675 PolarHBondContact O-N 3.44Å; M675-K677 VanDerWaalsContact C-N 3.28Å; M675-K677 PolarHBondContact O-N 3.13Å; M675-H678 CarbonylContact O-C 3.44Å; M675-H678 WeakPolarHBondContact O-CA 3.48Å; M675-H678 WeakPolarHBondContact O-CB 3.32Å; M675-H678 PolarHBondContact O-N 3.07Å; M675-H678 VanDerWaalsContact O-N 3.07Å; M675-I679 HydrophobicContact CG-CD1 3.73Å; M675-I679 HydrophobicContact CG-CG1 4.36Å; M675-I679 WeakPolarHBondContact O-CD1 3.29Å; M675-I679 VanDerWaalsContact O-CG1 3.31Å; M675-I679 WeakPolarHBondContact O-CG1 3.44Å; M675-I679 PolarHBondContact O-N 3.14Å; M675-I679 HydrophobicContact SD-CD1 3.97Å; M675-I679 HydrophobicContact SD-CG1 3.97Å; M675-I692 HydrophobicContact CG-CD1 3.97Å; M675-I692 HydrophobicContact CG-CG1 4.31Å; M675-I692 HydrophobicContact CG-CG2 3.85Å
676	S	72.4	Confident	65.7	Low	67 Å²	67	55.9 Å²	55.9	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-35.3	176	-52.9	0	0	0	0	113.1	L672 G680	L672-S676 PolarHBondContact O-N 3.08Å; L672-S676 PolarHBondContact O-OG 2.92Å; S676-G680 PolarHBondContact O-N 2.88Å
677	K	71.6	Confident	65.3	Low	164 Å²	164	58.3 Å²	58.3	71%	0.713	34%	0.335	S	S	*	.	H	α-helix	trans	-71.6	-35.8	174.4	-72.5	179.4	178.9	-175.5	0	112.3	N673 L674 M675 G680	N673-K677 WeakPolarHBondContact O-CG 3.36Å; L674-K677 PolarHBondContact O-N 3.03Å; M675-K677 VanDerWaalsContact C-N 3.28Å; M675-K677 PolarHBondContact O-N 3.13Å; K677-G680 PolarHBondContact O-N 2.8Å
678	H	70.6	Confident	64.8	Low	32 Å²	32	60.4 Å²	60.4	15%	0.148	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-38.3	173.4	167.7	79.9	0	0	0	112.4	C665 H667 L674 M675 G680 V681 H682	C665-H678 PolarHBondContact SG-NE2 3.27Å; H667-H678 VanDerWaalsContact CB-CE1 3.45Å; H667-H678 WeakPolarHBondContact CB-CE1 3.32Å; H667-H678 WeakPolarHBondContact CB-NE2 3.33Å; H667-H678 AromaticContact CE1-ND1 3.81Å; H667-H678 AromaticContact CG-CE1 3.46Å; H667-H678 VanDerWaalsContact CG-CE1 3.46Å; H667-H678 AromaticContact CG-ND1 3.74Å; H667-H678 AromaticContact CG-NE2 3.81Å; H667-H678 AromaticContact ND1-CD2 3.74Å; H667-H678 AromaticContact ND1-CE1 3.51Å; H667-H678 AromaticContact ND1-CG 3.53Å; H667-H678 AromaticContact ND1-ND1 3.39Å; H667-H678 PolarHBondContact ND1-ND1 3.18Å; H667-H678 AromaticContact ND1-NE2 3.72Å; L674-H678 PolarHBondContact O-N 3.2Å; M675-H678 CarbonylContact O-C 3.44Å; M675-H678 WeakPolarHBondContact O-CA 3.48Å; M675-H678 WeakPolarHBondContact O-CB 3.32Å; M675-H678 PolarHBondContact O-N 3.07Å; M675-H678 VanDerWaalsContact O-N 3.07Å; H678-G680 PolarHBondContact O-N 2.82Å; H678-V681 WeakPolarHBondContact O-CB 3.35Å; H678-V681 WeakPolarHBondContact O-CG2 3.46Å; H678-V681 PolarHBondContact O-N 2.89Å; H678-H682 AromaticContact CD2-NE2 3.71Å; H678-H682 AromaticContact CE1-CE1 3.94Å; H678-H682 AromaticContact CE1-NE2 3.46Å; H678-H682 PolarHBondContact CE1-NE2 2.92Å; H678-H682 AromaticContact NE2-CD2 3.89Å; H678-H682 AromaticContact NE2-CE1 3.8Å; H678-H682 AromaticContact NE2-NE2 2.94Å; H678-H682 PolarHBondContact NE2-NE2 3.39Å
679	I	70.4	Confident	64.6	Low	31 Å²	31	63.6 Å²	63.6	16%	0.159	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-35	173.4	-69.7	157.6	0	0	0	111	M675 V681 H682 L686 F690 I692	M675-I679 HydrophobicContact CG-CD1 3.73Å; M675-I679 HydrophobicContact CG-CG1 4.36Å; M675-I679 WeakPolarHBondContact O-CD1 3.29Å; M675-I679 VanDerWaalsContact O-CG1 3.31Å; M675-I679 WeakPolarHBondContact O-CG1 3.44Å; M675-I679 PolarHBondContact O-N 3.14Å; M675-I679 HydrophobicContact SD-CD1 3.97Å; M675-I679 HydrophobicContact SD-CG1 3.97Å; I679-V681 PolarHBondContact O-N 2.79Å; I679-H682 PolarHBondContact O-N 3.17Å; I679-L686 HydrophobicContact CG2-CD1 3.85Å; I679-L686 HydrophobicContact CG2-CD2 4.08Å; I679-F690 HydrophobicContact CD1-CE1 3.58Å; I679-F690 HydrophobicContact CD1-CZ 3.74Å; I679-F690 HydrophobicContact CG1-CE1 3.87Å; I679-F690 HydrophobicContact CG1-CZ 3.77Å; I679-F690 HydrophobicContact CG2-CE1 4.33Å; I679-I692 HydrophobicContact CD1-CD1 3.56Å; I679-I692 HydrophobicContact CD1-CG1 3.97Å
680	G	71.7	Confident	64.3	Low	46 Å²	46	65.6 Å²	65.6	47%	0.474	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.5	170.9	0	0	0	0	0	116	S676 K677 H678 K683	S676-G680 PolarHBondContact O-N 2.88Å; K677-G680 PolarHBondContact O-N 2.8Å; H678-G680 PolarHBondContact O-N 2.82Å; G680-K683 WeakPolarHBondContact O-CG 3.38Å
681	V	71.3	Confident	64.3	Low	77 Å²	77	69.1 Å²	69.1	47%	0.467	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-30.4	170.5	-172.7	0	0	0	0	111.5	H678 I679 K683	H678-V681 WeakPolarHBondContact O-CB 3.35Å; H678-V681 WeakPolarHBondContact O-CG2 3.46Å; H678-V681 PolarHBondContact O-N 2.89Å; I679-V681 PolarHBondContact O-N 2.79Å; V681-K683 PolarHBondContact O-N 3.21Å
682	H	68.4	Low	64.5	Low	24 Å²	24	70.6 Å²	70.6	11%	0.111	41%	0.414	C	S	.	.	S	Bend	trans	-77.7	46.2	178.7	-59.9	-49.9	0	0	0	112.6	C662 C665 H678 I679 G684 S685 L686	C662-H682 PolarHBondContact SG-NE2 2.91Å; C665-H682 PolarHBondContact SG-CE1 3.13Å; C665-H682 PolarHBondContact SG-NE2 2.85Å; H678-H682 AromaticContact CD2-NE2 3.71Å; H678-H682 AromaticContact CE1-CE1 3.94Å; H678-H682 AromaticContact CE1-NE2 3.46Å; H678-H682 PolarHBondContact CE1-NE2 2.92Å; H678-H682 AromaticContact NE2-CD2 3.89Å; H678-H682 AromaticContact NE2-CE1 3.8Å; H678-H682 AromaticContact NE2-NE2 2.94Å; H678-H682 PolarHBondContact NE2-NE2 3.39Å; I679-H682 PolarHBondContact O-N 3.17Å; H682-G684 PolarHBondContact O-N 3.24Å; H682-S685 PolarHBondContact O-N 3.26Å; H682-S685 VanDerWaalsContact O-N 3.15Å; H682-L686 HydrophobicContact CB-CD1 4.17Å; H682-L686 HydrophobicContact CB-CD2 4.19Å; H682-L686 HydrophobicContact CB-CG 3.88Å; H682-L686 WeakPolarHBondContact O-CD1 3.39Å
683	K	57.2	Low	64.4	Low	112 Å²	112	72.9 Å²	72.9	49%	0.487	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	103.9	-174.4	-67.2	-174.9	169.1	-169.9	0	110.8	S274 C275 G680 V681	S274-K683 WeakPolarHBondContact CB-O 3.37Å; C275-K683 HydrophobicContact CB-CD 3.59Å; G680-K683 WeakPolarHBondContact O-CG 3.38Å; V681-K683 PolarHBondContact O-N 3.21Å
684	G	59.1	Low	64.1	Low	74 Å²	74	74.9 Å²	74.9	76%	0.763	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-10	179.7	0	0	0	0	0	115.2	H682	H682-G684 PolarHBondContact O-N 3.24Å
685	S	55.2	Low	63.4	Low	67 Å²	67	73 Å²	73	47%	0.469	42%	0.422	S	S	.	.			trans	-108.8	33	-175.9	70.2	0	0	0	0	113.6	V664 H682	V664-S685 WeakPolarHBondContact CG1-O 3.4Å; H682-S685 PolarHBondContact O-N 3.26Å; H682-S685 VanDerWaalsContact O-N 3.15Å
686	L	56.3	Low	62.6	Low	67 Å²	67	79.2 Å²	79.2	35%	0.351	45%	0.45	S	S	.	.			trans	-105.5	118	179.2	-75.3	153.1	0	0	0	109.4	V664 I679 H682 F690	V664-L686 HydrophobicContact CG2-CD2 3.95Å; I679-L686 HydrophobicContact CG2-CD1 3.85Å; I679-L686 HydrophobicContact CG2-CD2 4.08Å; H682-L686 HydrophobicContact CB-CD1 4.17Å; H682-L686 HydrophobicContact CB-CD2 4.19Å; H682-L686 HydrophobicContact CB-CG 3.88Å; H682-L686 WeakPolarHBondContact O-CD1 3.39Å; L686-F690 HydrophobicContact CD2-CB 4.28Å; L686-F690 HydrophobicContact CD2-CD1 3.76Å; L686-F690 HydrophobicContact CD2-CD2 3.86Å; L686-F690 HydrophobicContact CD2-CE1 4.07Å; L686-F690 HydrophobicContact CD2-CE2 4.15Å; L686-F690 HydrophobicContact CD2-CG 3.65Å; L686-F690 HydrophobicContact CD2-CZ 4.25Å
687	P	57	Low	61.6	Low	69 Å²	69	78.5 Å²	78.5	45%	0.448	44%	0.44	S	S	.	.			trans	-59.2	153.7	171.8	-23.4	34.3	0	0	0	111.9	D689 F690	P687-D689 PolarHBondContact O-N 3.05Å; P687-F690 VanDerWaalsContact O-CB 3.23Å; P687-F690 WeakPolarHBondContact O-CB 3.46Å; P687-F690 PolarHBondContact O-N 3.01Å; P687-F690 VanDerWaalsContact O-N 3.12Å
688	P	55.7	Low	60.5	Low	129 Å²	129	77.4 Å²	77.4	84%	0.838	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-35.1	175.5	25	-33.7	0	0	0	112	F690	P688-F690 PolarHBondContact O-N 2.76Å
689	D	57.6	Low	59.5	Low	141 Å²	141	79 Å²	79	75%	0.754	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	26	177.6	-52.7	-55.4	0	0	0	113.2	P687 T691	P687-D689 PolarHBondContact O-N 3.05Å; D689-T691 PolarHBondContact O-N 2.78Å
690	F	61.2	Low	58.2	Low	47 Å²	47	83.9 Å²	83.9	21%	0.206	47%	0.466	C	S	.	.			trans	-64.7	108.8	-179.7	171.9	-106.3	0	0	0	112.1	T663 V664 I679 L686 P687 P688 I692	T663-F690 WeakPolarHBondContact OG1-CD2 3.1Å; T663-F690 VanDerWaalsContact OG1-CE2 3.27Å; T663-F690 WeakPolarHBondContact OG1-CE2 3.4Å; V664-F690 HydrophobicContact CG2-CD2 3.56Å; V664-F690 HydrophobicContact CG2-CE2 3.88Å; I679-F690 HydrophobicContact CD1-CE1 3.58Å; I679-F690 HydrophobicContact CD1-CZ 3.74Å; I679-F690 HydrophobicContact CG1-CE1 3.87Å; I679-F690 HydrophobicContact CG1-CZ 3.77Å; I679-F690 HydrophobicContact CG2-CE1 4.33Å; L686-F690 HydrophobicContact CD2-CB 4.28Å; L686-F690 HydrophobicContact CD2-CD1 3.76Å; L686-F690 HydrophobicContact CD2-CD2 3.86Å; L686-F690 HydrophobicContact CD2-CE1 4.07Å; L686-F690 HydrophobicContact CD2-CE2 4.15Å; L686-F690 HydrophobicContact CD2-CG 3.65Å; L686-F690 HydrophobicContact CD2-CZ 4.25Å; P687-F690 VanDerWaalsContact O-CB 3.23Å; P687-F690 WeakPolarHBondContact O-CB 3.46Å; P687-F690 PolarHBondContact O-N 3.01Å; P687-F690 VanDerWaalsContact O-N 3.12Å; P688-F690 PolarHBondContact O-N 2.76Å; F690-I692 HydrophobicContact CE1-CD1 4.45Å; F690-I692 HydrophobicContact CE1-CG1 3.77Å; F690-I692 HydrophobicContact CZ-CG1 3.79Å
691	T	58.6	Low	56.9	Low	82 Å²	82	86.1 Å²	86.1	50%	0.503	46%	0.464	S	S	.	.			trans	-102.6	152	171.6	57.8	0	0	0	0	111.7	T663 D689	T663-T691 VanDerWaalsContact CG2-O 3.23Å; T663-T691 WeakPolarHBondContact CG2-O 3.29Å; T663-T691 PolarHBondContact OG1-O 3.37Å; D689-T691 PolarHBondContact O-N 2.78Å
692	I	68.3	Low	55.2	Low	61 Å²	61	86.7 Å²	86.7	31%	0.313	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.9	168.1	-55.9	171.2	0	0	0	107	Y660 L672 M675 I679 F690	Y660-I692 HydrophobicContact CD1-CG2 3.89Å; Y660-I692 HydrophobicContact CG-CG2 4.27Å; L672-I692 HydrophobicContact CD1-CD1 3.9Å; M675-I692 HydrophobicContact CG-CD1 3.97Å; M675-I692 HydrophobicContact CG-CG1 4.31Å; M675-I692 HydrophobicContact CG-CG2 3.85Å; I679-I692 HydrophobicContact CD1-CD1 3.56Å; I679-I692 HydrophobicContact CD1-CG1 3.97Å; F690-I692 HydrophobicContact CE1-CD1 4.45Å; F690-I692 HydrophobicContact CE1-CG1 3.77Å; F690-I692 HydrophobicContact CZ-CG1 3.79Å
693	E	61.3	Low	53.8	Low	94 Å²	94	95.3 Å²	95.3	44%	0.439	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.7	176.5	-68.2	174	149.3	0	0	110.1	Y660 R661 T663	Y660-E693 CarbonylContact C-O 3.55Å; Y660-E693 WeakPolarHBondContact CA-O 3.38Å; R661-E693 HydrophobicContact CB-CB 4.23Å; R661-E693 WeakPolarHBondContact CD-OE2 3.46Å; R661-E693 PolarHBondContact N-O 2.86Å; R661-E693 IonicContact NE-OE2 3.88Å; R661-E693 PolarHBondContact NE-OE2 2.87Å; R661-E693 PolarHBondContact O-N 3.3Å; T663-E693 HydrophobicContact CG2-CG 3.71Å
694	Q	63.1	Low	52.9	Low	105 Å²	105	96.7 Å²	96.7	49%	0.491	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	91.7	172.5	-166.9	171.3	5.9	0	0	109.5	L658 M659 Y660	L658-Q694 HydrophobicContact CB-CG 3.96Å; L658-Q694 HydrophobicContact CD2-CG 4.34Å; M659-Q694 CarbonylContact O-C 3.59Å; M659-Q694 WeakPolarHBondContact O-CA 3.47Å; Y660-Q694 HydrophobicContact CD1-CG 4.45Å; Y660-Q694 HydrophobicContact CE1-CG 4.21Å
695	T	54.3	Low	52.2	Low	43 Å²	43	97.7 Å²	97.7	26%	0.264	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.6	-176.5	-36.1	0	0	0	0	111	M659 Y668 M697	M659-T695 PolarHBondContact N-O 2.99Å; M659-T695 PolarHBondContact O-N 2.96Å; Y668-T695 HydrophobicContact CE1-CG2 4.37Å; T695-M697 PolarHBondContact O-N 2.82Å
696	F	52.5	Low	51.5	Low	132 Å²	132	103.8 Å²	103.8	58%	0.579	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.3	165.9	-166.7	-92.9	0	0	0	109.5	G656 L658	G656-F696 VanDerWaalsContact C-CZ 3.43Å; G656-F696 WeakPolarHBondContact O-CE2 3.43Å; G656-F696 WeakPolarHBondContact O-CZ 3.48Å; L658-F696 HydrophobicContact CD2-CB 4.02Å; L658-F696 HydrophobicContact CD2-CD2 4.06Å; L658-F696 HydrophobicContact CG-CD2 4.29Å
697	M	52	Low	51	Low	52 Å²	52	110 Å²	110	26%	0.256	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	138.8	176.4	-83.4	-154	84.2	0	0	112	G656 A657 M659 Y668 T695	G656-M697 WeakPolarHBondContact CA-O 3.34Å; A657-M697 PolarHBondContact N-O 2.85Å; A657-M697 PolarHBondContact O-N 2.86Å; M659-M697 HydrophobicContact CG-CB 3.82Å; M659-M697 HydrophobicContact CG-CG 4.34Å; Y668-M697 HydrophobicContact CD1-CG 3.99Å; Y668-M697 HydrophobicContact CD1-SD 3.43Å; Y668-M697 WeakPolarHBondContact CD1-SD 3.42Å; Y668-M697 HydrophobicContact CD2-SD 3.44Å; Y668-M697 WeakPolarHBondContact CD2-SD 3.48Å; Y668-M697 HydrophobicContact CE1-CG 3.73Å; Y668-M697 HydrophobicContact CE1-SD 3.4Å; Y668-M697 WeakPolarHBondContact CE1-SD 3.31Å; Y668-M697 HydrophobicContact CE2-CE 4.24Å; Y668-M697 HydrophobicContact CE2-SD 3.44Å; Y668-M697 WeakPolarHBondContact CE2-SD 3.41Å; Y668-M697 HydrophobicContact CG-SD 3.42Å; T695-M697 PolarHBondContact O-N 2.82Å
698	Y	49.2	Very low	50.1	Low	141 Å²	141	114.1 Å²	114.1	55%	0.553	59%	0.586	S	S	*	*			trans	-124.4	117.7	166.7	-170	-78.3	0	0	0	108	H654 I700	H654-Y698 WeakPolarHBondContact O-CE2 3.44Å; Y698-I700 HydrophobicContact CD1-CG1 3.61Å; Y698-I700 HydrophobicContact CE1-CG1 3.88Å; Y698-I700 PolarHBondContact O-N 3.05Å
699	I	48.8	Very low	49.5	Very low	64 Å²	64	114.5 Å²	114.5	33%	0.328	59%	0.586	S	S	.	*			trans	-84.6	95.2	175.4	-58	-176.1	0	0	0	108.4	T653 H701	T653-I699 HydrophobicContact CG2-CD1 4.49Å; T653-I699 PolarHBondContact O-N 3.02Å; T653-I699 VanDerWaalsContact O-N 3.14Å; I699-H701 PolarHBondContact O-N 3.03Å; I699-H701 VanDerWaalsContact O-N 3.11Å
700	I	44.3	Very low	48.6	Very low	135 Å²	135	115.9 Å²	115.9	69%	0.692	59%	0.593	S	S	*	*			trans	-68.7	107	165.5	-51.8	179.8	0	0	0	107.2	Y698 S702	Y698-I700 HydrophobicContact CD1-CG1 3.61Å; Y698-I700 HydrophobicContact CE1-CG1 3.88Å; Y698-I700 PolarHBondContact O-N 3.05Å; I700-S702 PolarHBondContact O-N 2.74Å; I700-S702 VanDerWaalsContact O-N 3.15Å
701	H	43.1	Very low	47.3	Very low	92 Å²	92	122.6 Å²	122.6	43%	0.426	65%	0.646	S	S	.	*			trans	-76.8	90.4	161.9	-79.3	-70.1	0	0	0	108.3	C637 H654 I699 K703	C637-H701 WeakPolarHBondContact CB-NE2 3.34Å; H654-H701 AromaticContact CE1-CD2 3.64Å; H654-H701 AromaticContact CE1-NE2 3.59Å; H654-H701 AromaticContact ND1-CD2 3.92Å; I699-H701 PolarHBondContact O-N 3.03Å; I699-H701 VanDerWaalsContact O-N 3.11Å; H701-K703 PolarHBondContact O-N 2.88Å
702	S	35.5	Very low	46.8	Very low	90 Å²	90	124.6 Å²	124.6	63%	0.629	65%	0.653	S	S	*	*			trans	-57.5	133.8	166.7	47.8	0	0	0	0	108.9	I700 D704	I700-S702 PolarHBondContact O-N 2.74Å; I700-S702 VanDerWaalsContact O-N 3.15Å; S702-D704 PolarHBondContact O-N 3.31Å
703	K	38.8	Very low	45.6	Very low	204 Å²	204	127.9 Å²	127.9	89%	0.887	67%	0.671	S	S	*	*			trans	-99.7	32.6	-172.9	-154.5	-177	177.3	-177.4	0	111	H701	H701-K703 PolarHBondContact O-N 2.88Å
704	D	38.8	Very low	44.8	Very low	142 Å²	142	129.8 Å²	129.8	76%	0.759	68%	0.684	S	S	*	*			trans	-122.9	60.1	-159.7	-55.5	-69.9	0	0	0	110.3	S702	S702-D704 PolarHBondContact O-N 3.31Å
705	A	44.3	Very low	43.7	Very low	95 Å²	95	131.3 Å²	131.3	79%	0.785	70%	0.695	S	S	*	*	S	Bend	trans	-150.7	27.7	177.7	0	0	0	0	0	113.6
706	E	41.4	Very low	43	Very low	194 Å²	194	136.8 Å²	136.8	91%	0.907	72%	0.722	S	S	*	*	S	Bend	trans	-155.1	51.8	173.8	-127.1	166.3	-120.8	0	0	112.8
707	K	44.7	Very low	42.4	Very low	199 Å²	199	137.1 Å²	137.1	87%	0.865	73%	0.732	S	S	*	*	S	Bend	trans	-159	80.4	165.6	-120.1	-178.4	-175.2	-173.3	0	112
708	N	38.6	Very low	41.7	Very low	154 Å²	154	143.2 Å²	143.2	82%	0.824	77%	0.766	S	S	*	*			trans	168.5	75.7	144.5	-87.9	0.6	0	0	0	111
709	T	43	Very low	41.1	Very low	137 Å²	137	143.4 Å²	143.4	84%	0.84	78%	0.782	S	S	*	*	S	Bend	trans	-143.5	59.1	159.5	54.8	0	0	0	0	109.2
710	D	39.4	Very low	40.5	Very low	171 Å²	171	150 Å²	150	91%	0.914	82%	0.82	S	S	*	*			trans	-169.9	67.4	167.2	-102.5	-19	0	0	0	111
711	S	34.1	Very low	40.1	Very low	187 Å²	187	151.4 Å²	151.4	100%	1.308	83%	0.831	S	S	*	*			trans	-173.9	0	157.8	65.1	0	0	0	0	110.7

Retrieved 711 of 711 residues in 155.6 ms (Link to these results)

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