A0A093HNA2_STRCA Loading...

Zinc finger and BTB domain-containing protein 44

AlphaFold DB , UniProt , Accession A0A093HNA2, Species STRCA (Struthio camelus australis), Gene n/a, Length 616 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	36.3	Very low	46.4	Very low	231 Å²	231	107.3 Å²	107.3	100%	1.138	61%	0.607	S	S	*	*				0	137.1	0	-55.7	-173	-61.2	0	0	107.3
2	G	41.2	Very low	47.1	Very low	65 Å²	65	102.5 Å²	102.5	67%	0.67	59%	0.591	S	S	*	*			trans	-101.7	130.4	-179.5	0	0	0	0	0	111.1	K4	G2-K4 PolarHBondContact O-N 3.32Å; G2-K4 VanDerWaalsContact O-N 3.08Å
3	V	41.6	Very low	47.6	Very low	105 Å²	105	106.5 Å²	106.5	64%	0.636	60%	0.6	S	S	*	*			trans	-68.5	103.6	174.4	-175.3	0	0	0	0	108.4	T5 N97	V3-T5 HydrophobicContact CG1-CG2 4.12Å; V3-T5 PolarHBondContact O-N 3.46Å; V3-T5 VanDerWaalsContact O-N 3.12Å; V3-N97 HydrophobicContact CG1-CB 4.44Å; V3-N97 WeakPolarHBondContact CG1-OD1 3.34Å
4	K	47.3	Very low	49	Very low	140 Å²	140	103.6 Å²	103.6	61%	0.609	59%	0.591	S	S	*	*			trans	-85	75.1	-178.7	-72.7	-173.6	177.2	-179.6	0	111.2	G2 F6	G2-K4 PolarHBondContact O-N 3.32Å; G2-K4 VanDerWaalsContact O-N 3.08Å; K4-F6 PolarHBondContact O-N 2.67Å
5	T	51.6	Low	50.8	Low	83 Å²	83	101.4 Å²	101.4	51%	0.509	57%	0.573	S	S	.	*			trans	-64.9	100.8	171.4	51.7	0	0	0	0	110.5	V3	V3-T5 HydrophobicContact CG1-CG2 4.12Å; V3-T5 PolarHBondContact O-N 3.46Å; V3-T5 VanDerWaalsContact O-N 3.12Å
6	F	46.6	Very low	52.5	Low	105 Å²	105	101.8 Å²	101.8	46%	0.461	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.3	133.4	166.2	-176.8	-98.5	0	0	0	109.4	K4 H8 F123	K4-F6 PolarHBondContact O-N 2.67Å; F6-H8 HydrophobicContact CE1-CB 4.19Å; F6-F123 HydrophobicContact CB-CD2 4.08Å; F6-F123 HydrophobicContact CB-CE2 4.04Å
7	T	51.8	Low	54.2	Low	80 Å²	80	102.6 Å²	102.6	49%	0.491	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.9	123.6	179.7	53.5	0	0	0	0	111	T93 L94	T7-T93 HydrophobicContact CG2-CG2 4Å; T7-L94 WeakPolarHBondContact CA-O 3.43Å
8	H	50.8	Low	56	Low	93 Å²	93	98.9 Å²	98.9	43%	0.431	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.2	176	170.8	-73.3	0	0	0	110	F6 T93	F6-H8 HydrophobicContact CE1-CB 4.19Å; H8-T93 WeakPolarHBondContact O-CA 3.12Å
9	N	49.8	Very low	57.5	Low	91 Å²	91	95.4 Å²	95.4	49%	0.487	54%	0.537	S	S	.	.			trans	-120.8	144.1	-176.2	-63	33.7	0	0	0	111	T93	N9-T93 WeakPolarHBondContact OD1-CG2 3.34Å; N9-T93 PolarHBondContact OD1-OG1 2.91Å
10	S	46.9	Very low	58.9	Low	67 Å²	67	96.5 Å²	96.5	47%	0.469	54%	0.535	S	S	.	.			trans	-121.6	120.9	172.8	-170.6	0	0	0	0	110.5	A12	S10-A12 PolarHBondContact O-N 3.04Å
11	P	46.7	Very low	60.2	Low	120 Å²	120	93.9 Å²	93.9	78%	0.779	52%	0.52	S	S	*	.			trans	-85.4	110.2	-175.3	32.1	-32.7	0	0	0	111.6
12	A	54.6	Low	62.7	Low	50 Å²	50	84.4 Å²	84.4	41%	0.413	47%	0.474	S	S	.	.	S	Bend	trans	-152.8	160.5	176.4	0	0	0	0	0	111.8	S10 S14 Q15	S10-A12 PolarHBondContact O-N 3.04Å; A12-S14 WeakPolarHBondContact CB-OG 3.45Å; A12-S14 PolarHBondContact O-N 3.14Å; A12-S14 VanDerWaalsContact O-N 3.14Å; A12-Q15 VanDerWaalsContact O-CB 3.23Å; A12-Q15 WeakPolarHBondContact O-CB 3.29Å; A12-Q15 PolarHBondContact O-N 3.08Å
13	H	53.7	Low	64.9	Low	154 Å²	154	87.2 Å²	87.2	71%	0.713	47%	0.471	S	S	*	.	H	α-helix	trans	-56.9	-27.7	175.3	177.4	52.6	0	0	0	113.1	Q15 E16	H13-Q15 PolarHBondContact O-N 3.01Å; H13-E16 IonicContact ND1-OE2 2.77Å; H13-E16 PolarHBondContact O-N 2.67Å
14	S	67.1	Low	67.1	Low	67 Å²	67	85 Å²	85	47%	0.469	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-25.1	171.4	48.6	0	0	0	0	113.8	A12 E16 M17 L18	A12-S14 WeakPolarHBondContact CB-OG 3.45Å; A12-S14 PolarHBondContact O-N 3.14Å; A12-S14 VanDerWaalsContact O-N 3.14Å; S14-E16 VanDerWaalsContact C-N 3.34Å; S14-E16 PolarHBondContact O-N 2.96Å; S14-M17 PolarHBondContact O-N 3.14Å; S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 VanDerWaalsContact O-CG 3.3Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 3.27Å
15	Q	76.6	Confident	69.1	Low	70 Å²	70	80.1 Å²	80.1	33%	0.327	43%	0.433	S	S	.	.	H	α-helix	trans	-67.9	-33.8	179.7	-163.2	176.8	19.4	0	0	112.1	A12 H13 G19	A12-Q15 VanDerWaalsContact O-CB 3.23Å; A12-Q15 WeakPolarHBondContact O-CB 3.29Å; A12-Q15 PolarHBondContact O-N 3.08Å; H13-Q15 PolarHBondContact O-N 3.01Å; Q15-G19 PolarHBondContact O-N 3.46Å
16	E	78.4	Confident	70.8	Confident	108 Å²	108	81.1 Å²	81.1	51%	0.505	44%	0.436	S	S	.	.	H	α-helix	trans	-68.4	-40.3	173.8	-165.9	-158.4	142.3	0	0	111.3	H13 S14 G19 K20	H13-E16 IonicContact ND1-OE2 2.77Å; H13-E16 PolarHBondContact O-N 2.67Å; S14-E16 VanDerWaalsContact C-N 3.34Å; S14-E16 PolarHBondContact O-N 2.96Å; E16-G19 PolarHBondContact O-N 3.21Å; E16-K20 WeakPolarHBondContact O-CG 3.4Å; E16-K20 PolarHBondContact O-N 3.25Å; E16-K20 VanDerWaalsContact O-N 3.11Å; E16-K20 WeakPolarHBondContact OE1-CE 3.43Å; E16-K20 IonicContact OE1-NZ 3.77Å; E16-K20 PolarHBondContact OE1-NZ 3.43Å
17	M	81.3	Confident	72.7	Confident	115 Å²	115	81.2 Å²	81.2	57%	0.567	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-44.5	175	-175.7	-177.7	-70.2	0	0	111.6	S14 G19 K20 L21	S14-M17 PolarHBondContact O-N 3.14Å; M17-G19 VanDerWaalsContact C-N 3.35Å; M17-G19 PolarHBondContact O-N 2.7Å; M17-K20 PolarHBondContact O-N 3.39Å; M17-L21 HydrophobicContact CG-CD1 4.03Å; M17-L21 WeakPolarHBondContact O-CG 3.46Å; M17-L21 PolarHBondContact O-N 2.9Å
18	L	85.8	Confident	74.1	Confident	37 Å²	37	78.9 Å²	78.9	19%	0.194	43%	0.433	C	S	.	.	H	α-helix	trans	-61.3	-41.4	175	-75.6	169.4	0	0	0	111.6	S14 K20 L21 N22 V48 Y90 A92	S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 VanDerWaalsContact O-CG 3.3Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 3.27Å; L18-K20 PolarHBondContact O-N 3.27Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 PolarHBondContact O-N 2.8Å; L18-N22 WeakPolarHBondContact O-CB 3.37Å; L18-N22 PolarHBondContact O-N 3.2Å; L18-V48 HydrophobicContact CD2-CG1 4.31Å; L18-Y90 CarbonylContact C-O 3.53Å; L18-A92 HydrophobicContact CD1-CB 4.45Å
19	G	83.9	Confident	75.7	Confident	32 Å²	32	79.6 Å²	79.6	33%	0.33	44%	0.436	S	S	.	.	H	α-helix	trans	-58	-44.1	172.9	0	0	0	0	0	113.1	Q15 E16 M17 N22 M23	Q15-G19 PolarHBondContact O-N 3.46Å; E16-G19 PolarHBondContact O-N 3.21Å; M17-G19 VanDerWaalsContact C-N 3.35Å; M17-G19 PolarHBondContact O-N 2.7Å; G19-N22 WeakPolarHBondContact O-CB 3Å; G19-N22 PolarHBondContact O-N 3.2Å; G19-M23 PolarHBondContact O-N 2.86Å; G19-M23 VanDerWaalsContact O-N 3.09Å
20	K	85.9	Confident	77.2	Confident	117 Å²	117	83.2 Å²	83.2	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-65.5	-40.6	175.1	-70.8	165.9	177.4	172.8	0	112.3	E16 M17 L18 N22 M23 L24	E16-K20 WeakPolarHBondContact O-CG 3.4Å; E16-K20 PolarHBondContact O-N 3.25Å; E16-K20 VanDerWaalsContact O-N 3.11Å; E16-K20 WeakPolarHBondContact OE1-CE 3.43Å; E16-K20 IonicContact OE1-NZ 3.77Å; E16-K20 PolarHBondContact OE1-NZ 3.43Å; M17-K20 PolarHBondContact O-N 3.39Å; L18-K20 PolarHBondContact O-N 3.27Å; K20-N22 VanDerWaalsContact C-N 3.31Å; K20-N22 PolarHBondContact O-N 3.47Å; K20-M23 PolarHBondContact O-N 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.49Å; K20-L24 PolarHBondContact O-N 2.9Å
21	L	87.4	Confident	79.1	Confident	42 Å²	42	81 Å²	81	22%	0.22	43%	0.432	C	S	.	.	H	α-helix	trans	-66.9	-31.2	174.8	-70.6	165.1	0	0	0	112.4	M17 L18 R25 V48 Y90	M17-L21 HydrophobicContact CG-CD1 4.03Å; M17-L21 WeakPolarHBondContact O-CG 3.46Å; M17-L21 PolarHBondContact O-N 2.9Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 PolarHBondContact O-N 2.8Å; L21-R25 VanDerWaalsContact O-CB 3.3Å; L21-R25 WeakPolarHBondContact O-CB 3.36Å; L21-R25 PolarHBondContact O-N 3.08Å; L21-V48 HydrophobicContact CD1-CG2 3.93Å; L21-Y90 HydrophobicContact CB-CD1 4.24Å; L21-Y90 HydrophobicContact CB-CE1 4.09Å; L21-Y90 WeakPolarHBondContact O-CE1 3.36Å
22	N	88.5	Confident	81	Confident	31 Å²	31	78.5 Å²	78.5	17%	0.166	41%	0.412	C	S	.	.	H	α-helix	trans	-67.6	-43.2	173.9	-169.8	7.1	0	0	0	111	L18 G19 K20 R25 N26 Y90	L18-N22 WeakPolarHBondContact O-CB 3.37Å; L18-N22 PolarHBondContact O-N 3.2Å; G19-N22 WeakPolarHBondContact O-CB 3Å; G19-N22 PolarHBondContact O-N 3.2Å; K20-N22 VanDerWaalsContact C-N 3.31Å; K20-N22 PolarHBondContact O-N 3.47Å; N22-R25 WeakPolarHBondContact O-CB 3.38Å; N22-R25 PolarHBondContact O-N 2.62Å; N22-R25 PolarHBondContact OD1-NH2 3.28Å; N22-N26 PolarHBondContact O-N 2.81Å; N22-N26 PolarHBondContact O-ND2 3.14Å; N22-N26 VanDerWaalsContact O-ND2 3.09Å; N22-N26 PolarHBondContact O-OD1 2.83Å; N22-N26 PolarHBondContact OD1-ND2 3.34Å; N22-N26 PolarHBondContact OD1-OD1 2.91Å; N22-Y90 HydrophobicContact CB-CD1 4.17Å
23	M	86.8	Confident	82.6	Confident	124 Å²	124	76.1 Å²	76.1	61%	0.611	39%	0.392	S	S	*	.	H	α-helix	trans	-58.1	-54.3	171.9	-67.1	178.9	67.3	0	0	111.2	G19 K20 R25 N26 D27	G19-M23 PolarHBondContact O-N 2.86Å; G19-M23 VanDerWaalsContact O-N 3.09Å; K20-M23 PolarHBondContact O-N 3.3Å; M23-R25 VanDerWaalsContact C-N 3.27Å; M23-R25 PolarHBondContact O-N 3.27Å; M23-N26 PolarHBondContact O-N 3.39Å; M23-D27 PolarHBondContact O-N 3.24Å
24	L	87.8	Confident	84.3	Confident	58 Å²	58	69.6 Å²	69.6	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-56.6	-39	178.8	-69	171	0	0	0	112.9	K20 D27 G28 H29 F30	K20-L24 WeakPolarHBondContact O-CG 3.49Å; K20-L24 PolarHBondContact O-N 2.9Å; L24-D27 PolarHBondContact O-N 2.34Å; L24-G28 PolarHBondContact O-N 3.22Å; L24-H29 HydrophobicContact CD2-CB 4.03Å; L24-H29 PolarHBondContact O-N 2.8Å; L24-F30 HydrophobicContact CD1-CD2 4.4Å; L24-F30 HydrophobicContact CD2-CD2 4.27Å; L24-F30 HydrophobicContact CD2-CE2 4.48Å
25	R	90.2	Very high	85.5	Confident	38 Å²	38	66.4 Å²	66.4	14%	0.143	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-45.1	173.6	-177.6	-165.8	70.9	177.2	5.8	112.1	L21 N22 M23 G28 R43 L86 Y90	L21-R25 VanDerWaalsContact O-CB 3.3Å; L21-R25 WeakPolarHBondContact O-CB 3.36Å; L21-R25 PolarHBondContact O-N 3.08Å; N22-R25 WeakPolarHBondContact O-CB 3.38Å; N22-R25 PolarHBondContact O-N 2.62Å; N22-R25 PolarHBondContact OD1-NH2 3.28Å; M23-R25 VanDerWaalsContact C-N 3.27Å; M23-R25 PolarHBondContact O-N 3.27Å; R25-G28 PolarHBondContact O-N 3.17Å; R25-G28 VanDerWaalsContact O-N 3.08Å; R25-R43 WeakPolarHBondContact CG-O 3.39Å; R25-L86 PolarHBondContact NH1-O 2.95Å; R25-Y90 HydrophobicContact CB-CD1 4.43Å; R25-Y90 HydrophobicContact CB-CE1 3.94Å; R25-Y90 HydrophobicContact CG-CE1 4.34Å
26	N	87.5	Confident	86.1	Confident	105 Å²	105	68 Å²	68	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-70.9	-33.9	-177.7	-59	-20	0	0	0	111.4	N22 M23 G28	N22-N26 PolarHBondContact O-N 2.81Å; N22-N26 PolarHBondContact O-ND2 3.14Å; N22-N26 VanDerWaalsContact O-ND2 3.09Å; N22-N26 PolarHBondContact O-OD1 2.83Å; N22-N26 PolarHBondContact OD1-ND2 3.34Å; N22-N26 PolarHBondContact OD1-OD1 2.91Å; M23-N26 PolarHBondContact O-N 3.39Å; N26-G28 PolarHBondContact O-N 2.91Å
27	D	86.1	Confident	86.8	Confident	107 Å²	107	62.8 Å²	62.8	57%	0.572	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.5	170.3	-58.2	-31.8	0	0	0	112.8	M23 L24 H29	M23-D27 PolarHBondContact O-N 3.24Å; L24-D27 PolarHBondContact O-N 2.34Å; D27-H29 PolarHBondContact O-N 3.41Å
28	G	81.2	Confident	87	Confident	31 Å²	31	62.1 Å²	62.1	32%	0.32	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	3.9	-177.9	0	0	0	0	0	115.2	L24 R25 N26	L24-G28 PolarHBondContact O-N 3.22Å; R25-G28 PolarHBondContact O-N 3.17Å; R25-G28 VanDerWaalsContact O-N 3.08Å; N26-G28 PolarHBondContact O-N 2.91Å
29	H	83.1	Confident	87	Confident	108 Å²	108	68.3 Å²	68.3	50%	0.5	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	146.3	178.1	-71.3	-55.4	0	0	0	112	L24 D27 C31 H45	L24-H29 HydrophobicContact CD2-CB 4.03Å; L24-H29 PolarHBondContact O-N 2.8Å; D27-H29 PolarHBondContact O-N 3.41Å; H29-C31 PolarHBondContact O-N 3.49Å; H29-C31 PolarHBondContact O-SG 2.82Å; H29-H45 PolarHBondContact O-CE1 3.4Å
30	F	82.3	Confident	87.2	Confident	167 Å²	167	72.1 Å²	72.1	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	14.9	177.5	-55.1	-73.6	0	0	0	116.7	L24 D32	L24-F30 HydrophobicContact CD1-CD2 4.4Å; L24-F30 HydrophobicContact CD2-CD2 4.27Å; L24-F30 HydrophobicContact CD2-CE2 4.48Å; F30-D32 PolarHBondContact O-N 2.9Å
31	C	86.8	Confident	87.4	Confident	21 Å²	21	72 Å²	72	14%	0.142	36%	0.36	C	S	.	.			trans	-75.7	95.5	175.7	-67.4	0	0	0	0	111.2	H29 R43 A44 H45	H29-C31 PolarHBondContact O-N 3.49Å; H29-C31 PolarHBondContact O-SG 2.82Å; C31-R43 HydrophobicContact CB-CB 3.88Å; C31-A44 CarbonylContact C-O 3.5Å; C31-A44 WeakPolarHBondContact CA-O 3.36Å; C31-A44 WeakPolarHBondContact CB-O 3.5Å; C31-H45 VanDerWaalsContact SG-CE1 3.53Å
32	D	86.1	Confident	87.6	Confident	66 Å²	66	71.6 Å²	71.6	35%	0.353	36%	0.356	S	S	.	.			trans	-79.4	-12.8	179.6	60.3	-5.4	0	0	0	114.1	F30 A44 H45 K46 S70	F30-D32 PolarHBondContact O-N 2.9Å; D32-A44 PolarHBondContact N-O 3.23Å; D32-H45 WeakPolarHBondContact OD1-CA 3.46Å; D32-K46 HydrophobicContact CB-CD 4.45Å; D32-K46 WeakPolarHBondContact OD1-CG 3.4Å; D32-K46 PolarHBondContact OD1-N 2.83Å; D32-K46 VanDerWaalsContact OD2-CB 3.32Å; D32-K46 WeakPolarHBondContact OD2-CB 3.23Å; D32-K46 WeakPolarHBondContact OD2-CD 3.43Å; D32-K46 VanDerWaalsContact OD2-CG 3.28Å; D32-K46 WeakPolarHBondContact OD2-CG 3.42Å; D32-K46 PolarHBondContact OD2-N 3.41Å; D32-S70 PolarHBondContact O-OG 3.08Å; D32-S70 VanDerWaalsContact O-OG 3.1Å
33	I	88.7	Confident	87.7	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.8	177.3	-178.6	-177.1	0	0	0	112	I35 A44 K46 L49 L60 L72	I33-I35 HydrophobicContact CD1-CD1 4.36Å; I33-I35 HydrophobicContact CD1-CG1 3.9Å; I33-I35 HydrophobicContact CG1-CG1 4.16Å; I33-A44 VanDerWaalsContact CG2-C 3.43Å; I33-A44 HydrophobicContact CG2-CB 4Å; I33-A44 VanDerWaalsContact CG2-O 3.23Å; I33-A44 WeakPolarHBondContact CG2-O 3.4Å; I33-A44 PolarHBondContact N-O 3.38Å; I33-A44 PolarHBondContact O-N 3.02Å; I33-A44 VanDerWaalsContact O-N 3.14Å; I33-K46 HydrophobicContact CB-CG 3.99Å; I33-K46 HydrophobicContact CG2-CG 4.14Å; I33-L49 HydrophobicContact CD1-CD1 3.79Å; I33-L49 HydrophobicContact CG2-CD1 3.77Å; I33-L60 HydrophobicContact CD1-CD1 3.76Å; I33-L60 HydrophobicContact CD1-CD2 3.49Å; I33-L60 VanDerWaalsContact CD1-CD2 3.49Å; I33-L60 HydrophobicContact CD1-CG 4.26Å; I33-L60 HydrophobicContact CG1-CD2 4.47Å; I33-L72 HydrophobicContact CD1-CB 4.13Å; I33-L72 HydrophobicContact CD1-CD2 4.22Å
34	T	89.6	Confident	87.9	Confident	17 Å²	17	70.5 Å²	70.5	10%	0.104	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.8	168.4	-59.1	0	0	0	0	109.3	I41 F42 S70 V71 L72	T34-I41 HydrophobicContact CG2-CG2 3.3Å; T34-F42 CarbonylContact C-O 3.51Å; T34-F42 WeakPolarHBondContact CA-O 3.4Å; T34-S70 PolarHBondContact N-O 3.07Å; T34-S70 VanDerWaalsContact N-O 3.08Å; T34-V71 CarbonylContact O-C 3.57Å; T34-V71 VanDerWaalsContact O-CA 3.26Å; T34-V71 WeakPolarHBondContact O-CA 3.4Å; T34-L72 PolarHBondContact O-N 3.27Å
35	I	90.9	Very high	88	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.7	176.8	-55.7	173.7	0	0	0	108.4	I33 V37 F42 A44 L49 F56 L72 L74 F82	I33-I35 HydrophobicContact CD1-CD1 4.36Å; I33-I35 HydrophobicContact CD1-CG1 3.9Å; I33-I35 HydrophobicContact CG1-CG1 4.16Å; I35-V37 HydrophobicContact CG2-CG2 3.82Å; I35-F42 HydrophobicContact CB-CB 4.45Å; I35-F42 PolarHBondContact N-O 2.91Å; I35-F42 PolarHBondContact O-N 3.29Å; I35-A44 HydrophobicContact CD1-CB 4.46Å; I35-L49 HydrophobicContact CD1-CD1 3.74Å; I35-L49 HydrophobicContact CD1-CD2 4.37Å; I35-F56 HydrophobicContact CD1-CE1 4.05Å; I35-F56 HydrophobicContact CD1-CZ 4.16Å; I35-L72 CarbonylContact C-O 3.53Å; I35-L72 WeakPolarHBondContact CA-O 3.49Å; I35-L72 HydrophobicContact CG1-CB 4.42Å; I35-L72 WeakPolarHBondContact CG2-O 3.39Å; I35-L74 HydrophobicContact CG2-CD1 3.79Å; I35-L74 HydrophobicContact CG2-CG 4.02Å; I35-F82 HydrophobicContact CB-CZ 4.33Å; I35-F82 HydrophobicContact CD1-CE2 4.46Å; I35-F82 HydrophobicContact CD1-CZ 3.76Å; I35-F82 HydrophobicContact CG2-CE1 4.36Å; I35-F82 HydrophobicContact CG2-CE2 4.35Å; I35-F82 HydrophobicContact CG2-CZ 3.85Å
36	R	90.8	Very high	88	Confident	103 Å²	103	68.8 Å²	68.8	39%	0.389	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.9	171.6	-68.7	175.8	54.1	-127.7	0.1	109	K40 I41 V71 L72 D73 L74	R36-K40 WeakPolarHBondContact CA-O 3.46Å; R36-I41 HydrophobicContact CG-CG1 4.32Å; R36-V71 HydrophobicContact CG-CG1 3.99Å; R36-L72 PolarHBondContact N-O 2.72Å; R36-D73 WeakPolarHBondContact CB-OD1 3.44Å; R36-D73 WeakPolarHBondContact CD-OD1 3.31Å; R36-D73 IonicContact CZ-OD1 2.75Å; R36-D73 IonicContact CZ-OD2 3.25Å; R36-D73 IonicContact NE-OD1 3.65Å; R36-D73 IonicContact NH1-OD1 3.77Å; R36-D73 PolarHBondContact NH1-OD1 2.81Å; R36-D73 IonicContact NH1-OD2 3.71Å; R36-D73 PolarHBondContact NH1-OD2 2.54Å; R36-L74 PolarHBondContact O-N 2.96Å
37	V	92.2	Very high	88	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	107.2	176.9	-170.4	0	0	0	0	106.7	I35 D39 K40 F42 L74 V77 V79 F82	I35-V37 HydrophobicContact CG2-CG2 3.82Å; V37-D39 PolarHBondContact O-N 3.17Å; V37-K40 PolarHBondContact N-O 3.21Å; V37-K40 PolarHBondContact O-N 3.49Å; V37-F42 HydrophobicContact CB-CD2 4.47Å; V37-F42 HydrophobicContact CB-CE2 4.11Å; V37-F42 HydrophobicContact CG2-CD2 4.07Å; V37-F42 HydrophobicContact CG2-CE2 4.12Å; V37-L74 HydrophobicContact CG2-CB 4.2Å; V37-L74 HydrophobicContact CG2-CD1 4.14Å; V37-V77 HydrophobicContact CG1-CB 4.28Å; V37-V77 HydrophobicContact CG1-CG1 4.37Å; V37-V77 WeakPolarHBondContact CG1-O 3.45Å; V37-V79 HydrophobicContact CB-CG2 4.43Å; V37-V79 HydrophobicContact CG1-CG2 4.29Å; V37-V79 WeakPolarHBondContact O-CG2 3.2Å; V37-F82 HydrophobicContact CB-CD1 4.46Å; V37-F82 HydrophobicContact CG1-CB 4.12Å; V37-F82 HydrophobicContact CG1-CG 4.43Å; V37-F82 HydrophobicContact CG2-CB 4.34Å; V37-F82 HydrophobicContact CG2-CD1 3.6Å; V37-F82 HydrophobicContact CG2-CD2 4.14Å; V37-F82 HydrophobicContact CG2-CE1 3.85Å; V37-F82 HydrophobicContact CG2-CE2 4.37Å; V37-F82 HydrophobicContact CG2-CG 3.76Å; V37-F82 HydrophobicContact CG2-CZ 4.24Å
38	Q	86.1	Confident	88.1	Confident	101 Å²	101	64.8 Å²	64.8	47%	0.472	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-128.7	-167.6	-56.4	168.4	-44	0	0	108.9	K40 V79	Q38-K40 VanDerWaalsContact C-N 3.33Å; Q38-K40 PolarHBondContact O-N 2.98Å; Q38-V79 HydrophobicContact CB-CG2 4.39Å; Q38-V79 VanDerWaalsContact OE1-N 3.16Å
39	D	84.3	Confident	88.5	Confident	166 Å²	166	63.4 Å²	63.4	89%	0.888	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1	179.5	-53.2	-63.8	0	0	0	114.7	V37	V37-D39 PolarHBondContact O-N 3.17Å
40	K	89.3	Confident	88.8	Confident	112 Å²	112	59.4 Å²	59.4	49%	0.487	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.9	-178.1	-65.1	-158.9	-170	177.3	0	112.9	R36 V37 Q38 F42 V79	R36-K40 WeakPolarHBondContact CA-O 3.46Å; V37-K40 PolarHBondContact N-O 3.21Å; V37-K40 PolarHBondContact O-N 3.49Å; Q38-K40 VanDerWaalsContact C-N 3.33Å; Q38-K40 PolarHBondContact O-N 2.98Å; K40-F42 HydrophobicContact CB-CE2 3.7Å; K40-F42 HydrophobicContact CB-CZ 4.02Å; K40-F42 HydrophobicContact CD-CZ 4.41Å; K40-V79 HydrophobicContact CB-CG2 4.01Å; K40-V79 HydrophobicContact CD-CG1 3.7Å; K40-V79 HydrophobicContact CD-CG2 4.12Å; K40-V79 HydrophobicContact CG-CG1 4.47Å; K40-V79 HydrophobicContact CG-CG2 3.98Å
41	I	90.2	Very high	88.9	Confident	115 Å²	115	55.7 Å²	55.7	59%	0.59	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.9	-178.6	-50	-174.3	0	0	0	108.8	T34 R36	T34-I41 HydrophobicContact CG2-CG2 3.3Å; R36-I41 HydrophobicContact CG-CG1 4.32Å
42	F	91.3	Very high	88.9	Confident	34 Å²	34	56.4 Å²	56.4	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.3	178.4	-60.8	-88.1	0	0	0	110.2	T34 I35 V37 K40 F82 I83 L86	T34-F42 CarbonylContact C-O 3.51Å; T34-F42 WeakPolarHBondContact CA-O 3.4Å; I35-F42 HydrophobicContact CB-CB 4.45Å; I35-F42 PolarHBondContact N-O 2.91Å; I35-F42 PolarHBondContact O-N 3.29Å; V37-F42 HydrophobicContact CB-CD2 4.47Å; V37-F42 HydrophobicContact CB-CE2 4.11Å; V37-F42 HydrophobicContact CG2-CD2 4.07Å; V37-F42 HydrophobicContact CG2-CE2 4.12Å; K40-F42 HydrophobicContact CB-CE2 3.7Å; K40-F42 HydrophobicContact CB-CZ 4.02Å; K40-F42 HydrophobicContact CD-CZ 4.41Å; F42-F82 HydrophobicContact CB-CE1 4.18Å; F42-F82 HydrophobicContact CD1-CE1 4.34Å; F42-F82 AromaticContact CD2-CD1 3.89Å; F42-F82 HydrophobicContact CD2-CD1 3.89Å; F42-F82 AromaticContact CD2-CE1 3.67Å; F42-F82 HydrophobicContact CD2-CE1 3.67Å; F42-F82 AromaticContact CE2-CD1 3.83Å; F42-F82 HydrophobicContact CE2-CD1 3.83Å; F42-F82 HydrophobicContact CE2-CE1 4.1Å; F42-F82 HydrophobicContact CG-CD1 4.31Å; F42-F82 AromaticContact CG-CE1 3.8Å; F42-F82 HydrophobicContact CG-CE1 3.8Å; F42-F82 HydrophobicContact CZ-CD1 4.19Å; F42-I83 HydrophobicContact CE1-CD1 4.2Å; F42-I83 HydrophobicContact CE1-CG1 3.72Å; F42-I83 HydrophobicContact CZ-CD1 4.04Å; F42-I83 HydrophobicContact CZ-CG1 3.7Å; F42-L86 HydrophobicContact CB-CD2 3.86Å; F42-L86 HydrophobicContact CD1-CD2 3.77Å; F42-L86 HydrophobicContact CG-CD2 4.01Å
43	R	90.4	Very high	89	Confident	132 Å²	132	53.7 Å²	53.7	50%	0.498	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.2	173.4	-70.5	178.7	177	-88.3	2.8	109.2	R25 C31	R25-R43 WeakPolarHBondContact CG-O 3.39Å; C31-R43 HydrophobicContact CB-CB 3.88Å
44	A	91.4	Very high	88.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-179.4	-178	0	0	0	0	0	110.4	C31 D32 I33 I35 L49 L86 Y90	C31-A44 CarbonylContact C-O 3.5Å; C31-A44 WeakPolarHBondContact CA-O 3.36Å; C31-A44 WeakPolarHBondContact CB-O 3.5Å; D32-A44 PolarHBondContact N-O 3.23Å; I33-A44 VanDerWaalsContact CG2-C 3.43Å; I33-A44 HydrophobicContact CG2-CB 4Å; I33-A44 VanDerWaalsContact CG2-O 3.23Å; I33-A44 WeakPolarHBondContact CG2-O 3.4Å; I33-A44 PolarHBondContact N-O 3.38Å; I33-A44 PolarHBondContact O-N 3.02Å; I33-A44 VanDerWaalsContact O-N 3.14Å; I35-A44 HydrophobicContact CD1-CB 4.46Å; A44-L49 HydrophobicContact CB-CD1 3.89Å; A44-L49 HydrophobicContact CB-CD2 4.26Å; A44-L49 HydrophobicContact CB-CG 4.24Å; A44-L86 HydrophobicContact CB-CD1 4.17Å; A44-Y90 HydrophobicContact CB-CE2 4.49Å
45	H	90.4	Very high	88.9	Confident	16 Å²	16	58.3 Å²	58.3	7%	0.074	30%	0.302	C	S	.	.			trans	-114.6	124.7	179.1	-61.4	52.1	0	0	0	109.1	H29 C31 D32 V47 V48 L49 Y90	H29-H45 PolarHBondContact O-CE1 3.4Å; C31-H45 VanDerWaalsContact SG-CE1 3.53Å; D32-H45 WeakPolarHBondContact OD1-CA 3.46Å; H45-V47 PolarHBondContact O-N 3.45Å; H45-V47 VanDerWaalsContact O-N 3.15Å; H45-V48 HydrophobicContact CB-CB 4.48Å; H45-V48 HydrophobicContact CB-CG2 4.08Å; H45-V48 PolarHBondContact O-N 2.76Å; H45-V48 VanDerWaalsContact O-N 3.07Å; H45-L49 PolarHBondContact O-N 3.32Å; H45-Y90 WeakPolarHBondContact CB-OH 3.24Å; H45-Y90 PolarHBondContact N-OH 3.26Å; H45-Y90 PolarHBondContact ND1-OH 2.81Å; H45-Y90 VanDerWaalsContact ND1-OH 3.14Å
46	K	89	Confident	88.7	Confident	44 Å²	44	58.6 Å²	58.6	19%	0.191	30%	0.304	C	S	.	.	H	α-helix	trans	-50.4	-43.2	-178.2	-68.4	170.9	-170.8	175.7	0	111.3	D32 I33 V48 L49 A50 L60 E65 S70	D32-K46 HydrophobicContact CB-CD 4.45Å; D32-K46 WeakPolarHBondContact OD1-CG 3.4Å; D32-K46 PolarHBondContact OD1-N 2.83Å; D32-K46 VanDerWaalsContact OD2-CB 3.32Å; D32-K46 WeakPolarHBondContact OD2-CB 3.23Å; D32-K46 WeakPolarHBondContact OD2-CD 3.43Å; D32-K46 VanDerWaalsContact OD2-CG 3.28Å; D32-K46 WeakPolarHBondContact OD2-CG 3.42Å; D32-K46 PolarHBondContact OD2-N 3.41Å; I33-K46 HydrophobicContact CB-CG 3.99Å; I33-K46 HydrophobicContact CG2-CG 4.14Å; K46-V48 PolarHBondContact O-N 2.86Å; K46-L49 PolarHBondContact O-N 3Å; K46-A50 VanDerWaalsContact O-CB 3.26Å; K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 3.26Å; K46-L60 HydrophobicContact CB-CD1 4.31Å; K46-L60 HydrophobicContact CG-CD1 4.36Å; K46-E65 IonicContact NZ-OE1 3.52Å; K46-E65 PolarHBondContact NZ-OE1 2.92Å; K46-S70 WeakPolarHBondContact CE-OG 3.08Å
47	V	87.2	Confident	88.5	Confident	116 Å²	116	60.2 Å²	60.2	70%	0.703	31%	0.31	S	S	*	.	H	α-helix	trans	-58.8	-43.9	-179	-177.8	0	0	0	0	112.6	H45 A51	H45-V47 PolarHBondContact O-N 3.45Å; H45-V47 VanDerWaalsContact O-N 3.15Å; V47-A51 WeakPolarHBondContact O-CB 3.47Å; V47-A51 PolarHBondContact O-N 2.88Å; V47-A51 VanDerWaalsContact O-N 3.1Å
48	V	89.1	Confident	88.3	Confident	12 Å²	12	64.8 Å²	64.8	7%	0.073	34%	0.341	C	S	.	.	H	α-helix	trans	-70.5	-41.2	-177.9	179.5	0	0	0	0	110.6	L18 L21 H45 K46 A51 C52 A89 Y90	L18-V48 HydrophobicContact CD2-CG1 4.31Å; L21-V48 HydrophobicContact CD1-CG2 3.93Å; H45-V48 HydrophobicContact CB-CB 4.48Å; H45-V48 HydrophobicContact CB-CG2 4.08Å; H45-V48 PolarHBondContact O-N 2.76Å; H45-V48 VanDerWaalsContact O-N 3.07Å; K46-V48 PolarHBondContact O-N 2.86Å; V48-A51 PolarHBondContact O-N 3.44Å; V48-C52 WeakPolarHBondContact O-CB 3.3Å; V48-C52 PolarHBondContact O-N 3.15Å; V48-C52 VanDerWaalsContact O-N 3.15Å; V48-A89 HydrophobicContact CG1-CB 4.42Å; V48-A89 WeakPolarHBondContact CG1-O 3.28Å; V48-Y90 HydrophobicContact CB-CE1 4.29Å; V48-Y90 HydrophobicContact CB-CE2 4.13Å; V48-Y90 HydrophobicContact CG1-CD1 4.27Å; V48-Y90 HydrophobicContact CG1-CD2 3.89Å; V48-Y90 HydrophobicContact CG1-CE1 4.06Å; V48-Y90 HydrophobicContact CG1-CE2 3.66Å; V48-Y90 HydrophobicContact CG1-CG 4.21Å; V48-Y90 HydrophobicContact CG2-CE1 4.01Å
49	L	89.7	Confident	88	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-46	178.7	-59.6	172.9	0	0	0	111.8	I33 I35 A44 H45 K46 A51 C52 S53 F56 L60 L86	I33-L49 HydrophobicContact CD1-CD1 3.79Å; I33-L49 HydrophobicContact CG2-CD1 3.77Å; I35-L49 HydrophobicContact CD1-CD1 3.74Å; I35-L49 HydrophobicContact CD1-CD2 4.37Å; A44-L49 HydrophobicContact CB-CD1 3.89Å; A44-L49 HydrophobicContact CB-CD2 4.26Å; A44-L49 HydrophobicContact CB-CG 4.24Å; H45-L49 PolarHBondContact O-N 3.32Å; K46-L49 PolarHBondContact O-N 3Å; L49-A51 PolarHBondContact O-N 2.79Å; L49-C52 PolarHBondContact O-N 3.36Å; L49-S53 PolarHBondContact O-N 2.83Å; L49-F56 HydrophobicContact CB-CB 3.97Å; L49-F56 HydrophobicContact CB-CD1 4.28Å; L49-F56 HydrophobicContact CB-CD2 3.72Å; L49-F56 HydrophobicContact CB-CE2 4.17Å; L49-F56 HydrophobicContact CB-CG 3.78Å; L49-F56 HydrophobicContact CD1-CD1 4.48Å; L49-F56 HydrophobicContact CD1-CE1 4.39Å; L49-F56 HydrophobicContact CD2-CD2 4.21Å; L49-F56 HydrophobicContact CD2-CE2 3.76Å; L49-F56 HydrophobicContact CD2-CZ 3.96Å; L49-F56 HydrophobicContact CG-CD2 4.48Å; L49-F56 HydrophobicContact CG-CE2 4.45Å; L49-L60 HydrophobicContact CB-CD1 4.26Å; L49-L60 HydrophobicContact CD1-CD1 4.19Å; L49-L86 HydrophobicContact CD2-CD1 4.13Å
50	A	87.9	Confident	87.9	Confident	24 Å²	24	58.8 Å²	58.8	20%	0.198	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-20.7	178.1	0	0	0	0	0	113.5	K46 R57	K46-A50 VanDerWaalsContact O-CB 3.26Å; K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 3.26Å; A50-R57 HydrophobicContact CB-CB 3.99Å; A50-R57 HydrophobicContact CB-CG 4.18Å
51	A	86.3	Confident	86.9	Confident	90 Å²	90	58.5 Å²	58.5	74%	0.744	31%	0.314	S	S	*	.	H	α-helix	trans	-83.7	-19.5	169.7	0	0	0	0	0	113.3	V47 V48 L49	V47-A51 WeakPolarHBondContact O-CB 3.47Å; V47-A51 PolarHBondContact O-N 2.88Å; V47-A51 VanDerWaalsContact O-N 3.1Å; V48-A51 PolarHBondContact O-N 3.44Å; L49-A51 PolarHBondContact O-N 2.79Å
52	C	86.1	Confident	85.4	Confident	36 Å²	36	56.8 Å²	56.8	24%	0.243	33%	0.325	C	S	.	.	H	α-helix	trans	-95.4	-25.4	-178	-165.3	0	0	0	0	113.2	V48 L49 A89	V48-C52 WeakPolarHBondContact O-CB 3.3Å; V48-C52 PolarHBondContact O-N 3.15Å; V48-C52 VanDerWaalsContact O-N 3.15Å; L49-C52 PolarHBondContact O-N 3.36Å; C52-A89 HydrophobicContact CB-CB 4.01Å
53	S	87.6	Confident	83.9	Confident	8 Å²	8	60.7 Å²	60.7	6%	0.056	34%	0.344	C	S	.	.			trans	-153.6	137.3	175.9	167.8	0	0	0	0	113.2	L49 F55 F56 R57 M111	L49-S53 PolarHBondContact O-N 2.83Å; S53-F55 VanDerWaalsContact C-N 3.27Å; S53-F55 PolarHBondContact O-N 3.08Å; S53-F55 WeakPolarHBondContact OG-CB 3.09Å; S53-F55 PolarHBondContact OG-N 3.42Å; S53-F56 PolarHBondContact O-N 3.17Å; S53-R57 PolarHBondContact O-N 3.08Å; S53-M111 WeakPolarHBondContact CB-O 3.37Å; S53-M111 PolarHBondContact OG-O 3.32Å
54	D	85.8	Confident	82	Confident	88 Å²	88	58.4 Å²	58.4	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-24.1	171.3	-71	-65.2	0	0	0	112.9	R57 S58	D54-R57 PolarHBondContact O-N 2.79Å; D54-R57 WeakPolarHBondContact OD1-CD 3.35Å; D54-R57 IonicContact OD1-CZ 2.76Å; D54-R57 IonicContact OD1-NH1 3.56Å; D54-R57 PolarHBondContact OD1-NH1 2.89Å; D54-S58 WeakPolarHBondContact O-CB 3.34Å; D54-S58 PolarHBondContact O-N 3.35Å; D54-S58 PolarHBondContact O-OG 3.49Å; D54-S58 VanDerWaalsContact O-OG 3.06Å
55	F	90	Very high	80.3	Confident	27 Å²	27	66.2 Å²	66.2	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-60.9	-47.3	170.2	168.8	-90.6	0	0	0	111.2	S53 K59 L74 Y110 M111 Q112	S53-F55 VanDerWaalsContact C-N 3.27Å; S53-F55 PolarHBondContact O-N 3.08Å; S53-F55 WeakPolarHBondContact OG-CB 3.09Å; S53-F55 PolarHBondContact OG-N 3.42Å; F55-K59 HydrophobicContact CE1-CG 4.42Å; F55-K59 HydrophobicContact CE2-CG 4.41Å; F55-K59 HydrophobicContact CZ-CG 4.24Å; F55-K59 WeakPolarHBondContact O-CB 3.5Å; F55-K59 WeakPolarHBondContact O-CG 3.5Å; F55-K59 PolarHBondContact O-N 3.49Å; F55-K59 VanDerWaalsContact O-N 3.1Å; F55-L74 HydrophobicContact CE1-CD2 4.22Å; F55-L74 HydrophobicContact CZ-CD2 4.41Å; F55-Y110 HydrophobicContact CE2-CE1 4.35Å; F55-Y110 AromaticContact CZ-CE1 3.93Å; F55-Y110 HydrophobicContact CZ-CE1 3.93Å; F55-M111 HydrophobicContact CD1-CB 4.49Å; F55-M111 HydrophobicContact CD1-CG 4.47Å; F55-Q112 HydrophobicContact CB-CB 4.28Å; F55-Q112 HydrophobicContact CB-CG 4.3Å
56	F	88.4	Confident	78.5	Confident	6 Å²	6	71.7 Å²	71.7	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-64.3	-44.9	174.8	-80.6	-52.7	0	0	0	110.8	I35 L49 S53 S58 K59 L60 L72 F82 M111	I35-F56 HydrophobicContact CD1-CE1 4.05Å; I35-F56 HydrophobicContact CD1-CZ 4.16Å; L49-F56 HydrophobicContact CB-CB 3.97Å; L49-F56 HydrophobicContact CB-CD1 4.28Å; L49-F56 HydrophobicContact CB-CD2 3.72Å; L49-F56 HydrophobicContact CB-CE2 4.17Å; L49-F56 HydrophobicContact CB-CG 3.78Å; L49-F56 HydrophobicContact CD1-CD1 4.48Å; L49-F56 HydrophobicContact CD1-CE1 4.39Å; L49-F56 HydrophobicContact CD2-CD2 4.21Å; L49-F56 HydrophobicContact CD2-CE2 3.76Å; L49-F56 HydrophobicContact CD2-CZ 3.96Å; L49-F56 HydrophobicContact CG-CD2 4.48Å; L49-F56 HydrophobicContact CG-CE2 4.45Å; S53-F56 PolarHBondContact O-N 3.17Å; F56-S58 VanDerWaalsContact C-N 3.34Å; F56-S58 PolarHBondContact O-N 3.45Å; F56-K59 CarbonylContact O-C 3.56Å; F56-K59 PolarHBondContact O-N 3.41Å; F56-L60 HydrophobicContact CB-CD1 4.26Å; F56-L60 HydrophobicContact CD1-CD1 4.47Å; F56-L60 VanDerWaalsContact O-CB 3.31Å; F56-L60 WeakPolarHBondContact O-CB 3.45Å; F56-L60 WeakPolarHBondContact O-CG 3.44Å; F56-L60 PolarHBondContact O-N 2.83Å; F56-L72 HydrophobicContact CD1-CD2 3.74Å; F56-L72 HydrophobicContact CE1-CD2 3.65Å; F56-F82 HydrophobicContact CZ-CE2 4.27Å; F56-M111 HydrophobicContact CD2-CE 4.34Å; F56-M111 HydrophobicContact CE1-CE 4.33Å; F56-M111 HydrophobicContact CE2-CE 3.33Å; F56-M111 HydrophobicContact CZ-CE 3.33Å
57	R	86.7	Confident	76.9	Confident	136 Å²	136	79 Å²	79	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-55.8	-47.1	177.8	-167.9	176.3	171.2	-153.5	0.3	111.9	A50 S53 D54 K59 L60 V61	A50-R57 HydrophobicContact CB-CB 3.99Å; A50-R57 HydrophobicContact CB-CG 4.18Å; S53-R57 PolarHBondContact O-N 3.08Å; D54-R57 PolarHBondContact O-N 2.79Å; D54-R57 WeakPolarHBondContact OD1-CD 3.35Å; D54-R57 IonicContact OD1-CZ 2.76Å; D54-R57 IonicContact OD1-NH1 3.56Å; D54-R57 PolarHBondContact OD1-NH1 2.89Å; R57-K59 VanDerWaalsContact C-N 3.3Å; R57-K59 PolarHBondContact O-N 3.18Å; R57-L60 PolarHBondContact O-N 3.38Å; R57-V61 HydrophobicContact CG-CG2 4.13Å; R57-V61 VanDerWaalsContact O-CB 3.27Å; R57-V61 WeakPolarHBondContact O-CB 3.34Å; R57-V61 VanDerWaalsContact O-CG2 3.3Å; R57-V61 WeakPolarHBondContact O-CG2 3.43Å; R57-V61 PolarHBondContact O-N 2.93Å
58	S	86.1	Confident	75.2	Confident	96 Å²	96	78.2 Å²	78.2	67%	0.671	45%	0.454	S	S	*	.	H	α-helix	trans	-69.3	-20.9	176.9	-63.1	0	0	0	0	114.4	D54 F56	D54-S58 WeakPolarHBondContact O-CB 3.34Å; D54-S58 PolarHBondContact O-N 3.35Å; D54-S58 PolarHBondContact O-OG 3.49Å; D54-S58 VanDerWaalsContact O-OG 3.06Å; F56-S58 VanDerWaalsContact C-N 3.34Å; F56-S58 PolarHBondContact O-N 3.45Å
59	K	81.3	Confident	73.8	Confident	121 Å²	121	84.9 Å²	84.9	53%	0.526	48%	0.482	S	S	.	.	H	α-helix	trans	-91.6	-19.1	175.2	-73.8	-69.1	-177	-178.8	0	114	F55 F56 R57 L72	F55-K59 HydrophobicContact CE1-CG 4.42Å; F55-K59 HydrophobicContact CE2-CG 4.41Å; F55-K59 HydrophobicContact CZ-CG 4.24Å; F55-K59 WeakPolarHBondContact O-CB 3.5Å; F55-K59 WeakPolarHBondContact O-CG 3.5Å; F55-K59 PolarHBondContact O-N 3.49Å; F55-K59 VanDerWaalsContact O-N 3.1Å; F56-K59 CarbonylContact O-C 3.56Å; F56-K59 PolarHBondContact O-N 3.41Å; R57-K59 VanDerWaalsContact C-N 3.3Å; R57-K59 PolarHBondContact O-N 3.18Å; K59-L72 HydrophobicContact CB-CD1 4.5Å
60	L	81.2	Confident	72.9	Confident	20 Å²	20	85.9 Å²	85.9	11%	0.105	49%	0.489	C	S	.	.	H	α-helix	trans	-112.6	-22.5	-173.6	-59.3	176.4	0	0	0	113.6	I33 K46 L49 F56 R57	I33-L60 HydrophobicContact CD1-CD1 3.76Å; I33-L60 HydrophobicContact CD1-CD2 3.49Å; I33-L60 VanDerWaalsContact CD1-CD2 3.49Å; I33-L60 HydrophobicContact CD1-CG 4.26Å; I33-L60 HydrophobicContact CG1-CD2 4.47Å; K46-L60 HydrophobicContact CB-CD1 4.31Å; K46-L60 HydrophobicContact CG-CD1 4.36Å; L49-L60 HydrophobicContact CB-CD1 4.26Å; L49-L60 HydrophobicContact CD1-CD1 4.19Å; F56-L60 HydrophobicContact CB-CD1 4.26Å; F56-L60 HydrophobicContact CD1-CD1 4.47Å; F56-L60 VanDerWaalsContact O-CB 3.31Å; F56-L60 WeakPolarHBondContact O-CB 3.45Å; F56-L60 WeakPolarHBondContact O-CG 3.44Å; F56-L60 PolarHBondContact O-N 2.83Å; R57-L60 PolarHBondContact O-N 3.38Å
61	V	68	Low	72.6	Confident	107 Å²	107	88.2 Å²	88.2	65%	0.648	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	116.3	169.6	177.7	0	0	0	0	108.7	R57	R57-V61 HydrophobicContact CG-CG2 4.13Å; R57-V61 VanDerWaalsContact O-CB 3.27Å; R57-V61 WeakPolarHBondContact O-CB 3.34Å; R57-V61 VanDerWaalsContact O-CG2 3.3Å; R57-V61 WeakPolarHBondContact O-CG2 3.43Å; R57-V61 PolarHBondContact O-N 2.93Å
62	G	60	Low	72.6	Confident	79 Å²	79	85 Å²	85	81%	0.814	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.4	-4.3	174.9	0	0	0	0	0	115.8
63	Q	60.1	Low	72.6	Confident	116 Å²	116	86.2 Å²	86.2	54%	0.542	48%	0.475	S	S	.	.			trans	-69.1	133.5	157.5	-72.4	-159.9	-45.1	0	0	108.9
64	A	50.2	Low	72.7	Confident	83 Å²	83	86 Å²	86	69%	0.686	47%	0.473	S	S	*	.			trans	-65.8	155.4	171.1	0	0	0	0	0	110.5	D66	A64-D66 PolarHBondContact O-N 3.24Å
65	E	55.5	Low	72.7	Confident	165 Å²	165	88.3 Å²	88.3	77%	0.771	48%	0.481	S	S	*	.			trans	-78.3	61.5	179.8	-67.9	-91.2	105.3	0	0	111.2	K46 E67	K46-E65 IonicContact NZ-OE1 3.52Å; K46-E65 PolarHBondContact NZ-OE1 2.92Å; E65-E67 PolarHBondContact O-N 2.68Å
66	D	51.9	Low	72.3	Confident	130 Å²	130	94.2 Å²	94.2	70%	0.695	51%	0.508	S	S	*	.			trans	-68.6	119.1	161.8	-90.9	-52.4	0	0	0	108.7	A64 S68	A64-D66 PolarHBondContact O-N 3.24Å; D66-S68 PolarHBondContact O-N 3.31Å
67	E	55.5	Low	72.4	Confident	199 Å²	199	94.1 Å²	94.1	93%	0.93	51%	0.508	S	S	*	.	S	Bend	trans	-62.1	-11.4	-172.9	-64.4	-176.1	91.2	0	0	113.8	E65 K69	E65-E67 PolarHBondContact O-N 2.68Å; E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 3.27Å
68	S	51.2	Low	72.6	Confident	99 Å²	99	89.8 Å²	89.8	69%	0.692	50%	0.497	S	S	*	.	S	Bend	trans	-77.4	64.5	175.4	60.3	0	0	0	0	113.3	D66	D66-S68 PolarHBondContact O-N 3.31Å
69	K	59.4	Low	72.7	Confident	151 Å²	151	86 Å²	86	66%	0.657	47%	0.47	S	S	*	.			trans	40.8	96	162	-59.7	165.4	-173.5	158.5	0	114.4	E67 V71	E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 3.27Å; K69-V71 VanDerWaalsContact O-CG2 3.26Å; K69-V71 WeakPolarHBondContact O-CG2 3.44Å; K69-V71 PolarHBondContact O-N 3.37Å
70	S	71.1	Confident	73.1	Confident	23 Å²	23	83.9 Å²	83.9	16%	0.161	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	111.4	175.5	54	0	0	0	0	111.6	D32 T34 K46	D32-S70 PolarHBondContact O-OG 3.08Å; D32-S70 VanDerWaalsContact O-OG 3.1Å; T34-S70 PolarHBondContact N-O 3.07Å; T34-S70 VanDerWaalsContact N-O 3.08Å; K46-S70 WeakPolarHBondContact CE-OG 3.08Å
71	V	81.9	Confident	73.4	Confident	73 Å²	73	82.9 Å²	82.9	44%	0.442	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.6	177.3	-172.8	0	0	0	0	109.2	T34 R36 K69 D73	T34-V71 CarbonylContact O-C 3.57Å; T34-V71 VanDerWaalsContact O-CA 3.26Å; T34-V71 WeakPolarHBondContact O-CA 3.4Å; R36-V71 HydrophobicContact CG-CG1 3.99Å; K69-V71 VanDerWaalsContact O-CG2 3.26Å; K69-V71 WeakPolarHBondContact O-CG2 3.44Å; K69-V71 PolarHBondContact O-N 3.37Å; V71-D73 WeakPolarHBondContact CG1-OD1 3.25Å
72	L	86.6	Confident	74.6	Confident	23 Å²	23	77.9 Å²	77.9	12%	0.12	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110.4	176.4	179.4	62.1	0	0	0	110.2	I33 T34 I35 R36 F56 K59 L74	I33-L72 HydrophobicContact CD1-CB 4.13Å; I33-L72 HydrophobicContact CD1-CD2 4.22Å; T34-L72 PolarHBondContact O-N 3.27Å; I35-L72 CarbonylContact C-O 3.53Å; I35-L72 WeakPolarHBondContact CA-O 3.49Å; I35-L72 HydrophobicContact CG1-CB 4.42Å; I35-L72 WeakPolarHBondContact CG2-O 3.39Å; R36-L72 PolarHBondContact N-O 2.72Å; F56-L72 HydrophobicContact CD1-CD2 3.74Å; F56-L72 HydrophobicContact CE1-CD2 3.65Å; K59-L72 HydrophobicContact CB-CD1 4.5Å; L72-L74 HydrophobicContact CD2-CD2 4.43Å; L72-L74 HydrophobicContact CG-CD2 4.17Å
73	D	86.9	Confident	76	Confident	61 Å²	61	77.5 Å²	77.5	33%	0.326	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.1	-179.7	-68.7	-10.3	0	0	0	111.7	R36 V71 H75	R36-D73 WeakPolarHBondContact CB-OD1 3.44Å; R36-D73 WeakPolarHBondContact CD-OD1 3.31Å; R36-D73 IonicContact CZ-OD1 2.75Å; R36-D73 IonicContact CZ-OD2 3.25Å; R36-D73 IonicContact NE-OD1 3.65Å; R36-D73 IonicContact NH1-OD1 3.77Å; R36-D73 PolarHBondContact NH1-OD1 2.81Å; R36-D73 IonicContact NH1-OD2 3.71Å; R36-D73 PolarHBondContact NH1-OD2 2.54Å; V71-D73 WeakPolarHBondContact CG1-OD1 3.25Å; D73-H75 VanDerWaalsContact CB-CE1 3.48Å; D73-H75 WeakPolarHBondContact CB-CE1 3.24Å; D73-H75 IonicContact OD2-CE1 2.84Å
74	L	89.3	Confident	77.4	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.016	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	90.5	175.8	-56.5	-179.1	0	0	0	110.2	I35 R36 V37 F55 L72 V77 F82 M111	I35-L74 HydrophobicContact CG2-CD1 3.79Å; I35-L74 HydrophobicContact CG2-CG 4.02Å; R36-L74 PolarHBondContact O-N 2.96Å; V37-L74 HydrophobicContact CG2-CB 4.2Å; V37-L74 HydrophobicContact CG2-CD1 4.14Å; F55-L74 HydrophobicContact CE1-CD2 4.22Å; F55-L74 HydrophobicContact CZ-CD2 4.41Å; L72-L74 HydrophobicContact CD2-CD2 4.43Å; L72-L74 HydrophobicContact CG-CD2 4.17Å; L74-V77 HydrophobicContact CB-CB 4.2Å; L74-V77 HydrophobicContact CB-CG2 4.18Å; L74-F82 HydrophobicContact CD1-CD2 3.92Å; L74-F82 HydrophobicContact CD1-CE2 3.67Å; L74-F82 HydrophobicContact CD1-CZ 4.45Å; L74-M111 HydrophobicContact CD1-SD 4.46Å
75	H	84.8	Confident	79.3	Confident	136 Å²	136	68.6 Å²	68.6	63%	0.63	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-30.7	-177.5	-69.2	89.4	0	0	0	114	D73	D73-H75 VanDerWaalsContact CB-CE1 3.48Å; D73-H75 WeakPolarHBondContact CB-CE1 3.24Å; D73-H75 IonicContact OD2-CE1 2.84Å
76	H	82.8	Confident	81	Confident	152 Å²	152	61.4 Å²	61.4	70%	0.704	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	15.8	-175	-55.6	-61.2	0	0	0	113.9	Y110	H76-Y110 HydrophobicContact CB-CE2 4.17Å
77	V	89.8	Confident	82.8	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	31%	0.307	C	S	.	.	S	Bend	trans	-123.7	133.7	-176.1	-175.9	0	0	0	0	109	V37 L74 F82 A107 Y110	V37-V77 HydrophobicContact CG1-CB 4.28Å; V37-V77 HydrophobicContact CG1-CG1 4.37Å; V37-V77 WeakPolarHBondContact CG1-O 3.45Å; L74-V77 HydrophobicContact CB-CB 4.2Å; L74-V77 HydrophobicContact CB-CG2 4.18Å; V77-F82 HydrophobicContact CG1-CB 3.9Å; V77-F82 HydrophobicContact CG1-CD2 4.43Å; V77-A107 HydrophobicContact CG1-CB 3.69Å; V77-Y110 HydrophobicContact CG2-CD1 3.56Å; V77-Y110 HydrophobicContact CG2-CE1 3.89Å; V77-Y110 HydrophobicContact CG2-CG 4.36Å
78	T	90.2	Very high	84.4	Confident	45 Å²	45	51.9 Å²	51.9	28%	0.276	27%	0.271	S	S	.	.			trans	-80.3	148.2	174.9	62.5	0	0	0	0	111	T80 G81 F82 D103	T78-T80 WeakPolarHBondContact CB-OG1 3.41Å; T78-T80 PolarHBondContact O-N 2.85Å; T78-T80 PolarHBondContact OG1-OG1 3.23Å; T78-T80 VanDerWaalsContact OG1-OG1 3.08Å; T78-G81 PolarHBondContact O-N 3.18Å; T78-G81 VanDerWaalsContact O-N 3.16Å; T78-G81 PolarHBondContact OG1-N 2.94Å; T78-G81 VanDerWaalsContact OG1-N 3.08Å; T78-F82 WeakPolarHBondContact O-CB 3.42Å; T78-F82 PolarHBondContact O-N 3.44Å; T78-D103 WeakPolarHBondContact OG1-CB 3.35Å; T78-D103 VanDerWaalsContact OG1-CG 3.31Å; T78-D103 PolarHBondContact OG1-OD2 3.4Å
79	V	89.7	Confident	86.2	Confident	18 Å²	18	47.6 Å²	47.6	11%	0.109	24%	0.242	C	C	.	.	H	α-helix	trans	-54.5	-37.3	171.7	165.2	0	0	0	0	112	V37 Q38 K40 F82 I83	V37-V79 HydrophobicContact CB-CG2 4.43Å; V37-V79 HydrophobicContact CG1-CG2 4.29Å; V37-V79 WeakPolarHBondContact O-CG2 3.2Å; Q38-V79 HydrophobicContact CB-CG2 4.39Å; Q38-V79 VanDerWaalsContact OE1-N 3.16Å; K40-V79 HydrophobicContact CB-CG2 4.01Å; K40-V79 HydrophobicContact CD-CG1 3.7Å; K40-V79 HydrophobicContact CD-CG2 4.12Å; K40-V79 HydrophobicContact CG-CG1 4.47Å; K40-V79 HydrophobicContact CG-CG2 3.98Å; V79-F82 PolarHBondContact O-N 3.03Å; V79-I83 HydrophobicContact CG1-CD1 3.68Å; V79-I83 HydrophobicContact CG1-CG1 4.42Å; V79-I83 WeakPolarHBondContact O-CG1 3.33Å; V79-I83 PolarHBondContact O-N 3.42Å; V79-I83 VanDerWaalsContact O-N 3.16Å
80	T	89.1	Confident	87.6	Confident	75 Å²	75	40.4 Å²	40.4	46%	0.46	21%	0.211	S	C	.	.	H	α-helix	trans	-66.3	-37.3	177.8	29.7	0	0	0	0	113.5	T78 P84 D103	T78-T80 WeakPolarHBondContact CB-OG1 3.41Å; T78-T80 PolarHBondContact O-N 2.85Å; T78-T80 PolarHBondContact OG1-OG1 3.23Å; T78-T80 VanDerWaalsContact OG1-OG1 3.08Å; T80-P84 VanDerWaalsContact O-CD 3.3Å; T80-P84 WeakPolarHBondContact O-CD 3.41Å; T80-D103 WeakPolarHBondContact CB-OD2 2.97Å; T80-D103 PolarHBondContact OG1-OD2 3.08Å
81	G	88.1	Confident	88.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-78.4	-33.8	173.6	0	0	0	0	0	113.3	T78 L85	T78-G81 PolarHBondContact O-N 3.18Å; T78-G81 VanDerWaalsContact O-N 3.16Å; T78-G81 PolarHBondContact OG1-N 2.94Å; T78-G81 VanDerWaalsContact OG1-N 3.08Å; G81-L85 WeakPolarHBondContact O-CG 3.43Å
82	F	92	Very high	88.4	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-75.2	-42.2	-175.3	-176.8	-107.4	0	0	0	114.4	I35 V37 F42 F56 L74 V77 T78 V79 L85 L86 M111	I35-F82 HydrophobicContact CB-CZ 4.33Å; I35-F82 HydrophobicContact CD1-CE2 4.46Å; I35-F82 HydrophobicContact CD1-CZ 3.76Å; I35-F82 HydrophobicContact CG2-CE1 4.36Å; I35-F82 HydrophobicContact CG2-CE2 4.35Å; I35-F82 HydrophobicContact CG2-CZ 3.85Å; V37-F82 HydrophobicContact CB-CD1 4.46Å; V37-F82 HydrophobicContact CG1-CB 4.12Å; V37-F82 HydrophobicContact CG1-CG 4.43Å; V37-F82 HydrophobicContact CG2-CB 4.34Å; V37-F82 HydrophobicContact CG2-CD1 3.6Å; V37-F82 HydrophobicContact CG2-CD2 4.14Å; V37-F82 HydrophobicContact CG2-CE1 3.85Å; V37-F82 HydrophobicContact CG2-CE2 4.37Å; V37-F82 HydrophobicContact CG2-CG 3.76Å; V37-F82 HydrophobicContact CG2-CZ 4.24Å; F42-F82 HydrophobicContact CB-CE1 4.18Å; F42-F82 HydrophobicContact CD1-CE1 4.34Å; F42-F82 AromaticContact CD2-CD1 3.89Å; F42-F82 HydrophobicContact CD2-CD1 3.89Å; F42-F82 AromaticContact CD2-CE1 3.67Å; F42-F82 HydrophobicContact CD2-CE1 3.67Å; F42-F82 AromaticContact CE2-CD1 3.83Å; F42-F82 HydrophobicContact CE2-CD1 3.83Å; F42-F82 HydrophobicContact CE2-CE1 4.1Å; F42-F82 HydrophobicContact CG-CD1 4.31Å; F42-F82 AromaticContact CG-CE1 3.8Å; F42-F82 HydrophobicContact CG-CE1 3.8Å; F42-F82 HydrophobicContact CZ-CD1 4.19Å; F56-F82 HydrophobicContact CZ-CE2 4.27Å; L74-F82 HydrophobicContact CD1-CD2 3.92Å; L74-F82 HydrophobicContact CD1-CE2 3.67Å; L74-F82 HydrophobicContact CD1-CZ 4.45Å; V77-F82 HydrophobicContact CG1-CB 3.9Å; V77-F82 HydrophobicContact CG1-CD2 4.43Å; T78-F82 WeakPolarHBondContact O-CB 3.42Å; T78-F82 PolarHBondContact O-N 3.44Å; V79-F82 PolarHBondContact O-N 3.03Å; F82-L85 PolarHBondContact O-N 3.36Å; F82-L85 VanDerWaalsContact O-N 3.1Å; F82-L86 HydrophobicContact CD1-CB 4.45Å; F82-L86 HydrophobicContact CE1-CB 3.99Å; F82-L86 HydrophobicContact CE1-CD2 3.69Å; F82-L86 HydrophobicContact CE1-CG 4.37Å; F82-L86 HydrophobicContact CZ-CB 4.12Å; F82-L86 HydrophobicContact CZ-CD2 4.18Å; F82-L86 PolarHBondContact O-N 3.43Å; F82-M111 HydrophobicContact CD2-CE 4.28Å; F82-M111 HydrophobicContact CD2-SD 4.08Å; F82-M111 HydrophobicContact CE2-CE 4.05Å; F82-M111 HydrophobicContact CE2-SD 4.36Å
83	I	90.8	Very high	88.2	Confident	72 Å²	72	38.6 Å²	38.6	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-56.3	-47.8	-174	-73.7	167.9	0	0	0	112.5	F42 V79 L85 L86 E87	F42-I83 HydrophobicContact CE1-CD1 4.2Å; F42-I83 HydrophobicContact CE1-CG1 3.72Å; F42-I83 HydrophobicContact CZ-CD1 4.04Å; F42-I83 HydrophobicContact CZ-CG1 3.7Å; V79-I83 HydrophobicContact CG1-CD1 3.68Å; V79-I83 HydrophobicContact CG1-CG1 4.42Å; V79-I83 WeakPolarHBondContact O-CG1 3.33Å; V79-I83 PolarHBondContact O-N 3.42Å; V79-I83 VanDerWaalsContact O-N 3.16Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.4Å; I83-L86 PolarHBondContact O-N 2.8Å; I83-E87 PolarHBondContact O-N 3.19Å
84	P	89.3	Confident	88.1	Confident	9 Å²	9	36 Å²	36	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-29.2	178.2	-25.4	37.3	0	0	0	114.1	T80 Y88 L94 V104	T80-P84 VanDerWaalsContact O-CD 3.3Å; T80-P84 WeakPolarHBondContact O-CD 3.41Å; P84-Y88 WeakPolarHBondContact O-CB 3.38Å; P84-Y88 PolarHBondContact O-N 3.04Å; P84-L94 HydrophobicContact CB-CD1 4Å; P84-V104 HydrophobicContact CB-CG2 4.15Å; P84-V104 HydrophobicContact CG-CG2 3.82Å
85	L	90.4	Very high	87.7	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-74.7	-40.7	176.8	-58.3	178.2	0	0	0	111.6	G81 F82 I83 E87 Y88 A89 L94 V104 A107 A108 M111 M113 V116	G81-L85 WeakPolarHBondContact O-CG 3.43Å; F82-L85 PolarHBondContact O-N 3.36Å; F82-L85 VanDerWaalsContact O-N 3.1Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.4Å; L85-E87 VanDerWaalsContact C-N 3.29Å; L85-Y88 PolarHBondContact O-N 2.75Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.16Å; L85-L94 HydrophobicContact CD2-CD1 4.33Å; L85-V104 HydrophobicContact CD2-CG1 4.03Å; L85-A107 HydrophobicContact CD1-CB 3.52Å; L85-A108 HydrophobicContact CD1-CB 4.21Å; L85-A108 HydrophobicContact CD2-CB 4.03Å; L85-M111 HydrophobicContact CD1-CE 4.44Å; L85-M111 HydrophobicContact CD1-SD 4.02Å; L85-M113 HydrophobicContact CB-CE 4.18Å; L85-M113 HydrophobicContact CB-SD 4.14Å; L85-M113 HydrophobicContact CD1-SD 4.23Å; L85-M113 HydrophobicContact CD2-CE 3.93Å; L85-M113 HydrophobicContact CD2-SD 4.18Å; L85-M113 HydrophobicContact CG-SD 4.42Å; L85-V116 HydrophobicContact CD2-CB 4.41Å; L85-V116 HydrophobicContact CD2-CG1 3.57Å
86	L	91.1	Very high	87.6	Confident	14 Å²	14	31 Å²	31	7%	0.073	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-29.7	172.7	-179.9	60.4	0	0	0	111.9	R25 F42 A44 L49 F82 I83 Y90	R25-L86 PolarHBondContact NH1-O 2.95Å; F42-L86 HydrophobicContact CB-CD2 3.86Å; F42-L86 HydrophobicContact CD1-CD2 3.77Å; F42-L86 HydrophobicContact CG-CD2 4.01Å; A44-L86 HydrophobicContact CB-CD1 4.17Å; L49-L86 HydrophobicContact CD2-CD1 4.13Å; F82-L86 HydrophobicContact CD1-CB 4.45Å; F82-L86 HydrophobicContact CE1-CB 3.99Å; F82-L86 HydrophobicContact CE1-CD2 3.69Å; F82-L86 HydrophobicContact CE1-CG 4.37Å; F82-L86 HydrophobicContact CZ-CB 4.12Å; F82-L86 HydrophobicContact CZ-CD2 4.18Å; F82-L86 PolarHBondContact O-N 3.43Å; I83-L86 PolarHBondContact O-N 2.8Å; L86-Y90 HydrophobicContact CD1-CD2 4.18Å; L86-Y90 HydrophobicContact CD1-CE2 3.97Å; L86-Y90 WeakPolarHBondContact O-CD2 3.45Å
87	E	88.8	Confident	87.5	Confident	82 Å²	82	26.1 Å²	26.1	38%	0.383	15%	0.148	S	C	.	.	H	α-helix	trans	-68.9	-53.1	169.4	-173.5	169.6	-154.1	0	0	111.2	I83 L85 A89 Y90 T91	I83-E87 PolarHBondContact O-N 3.19Å; L85-E87 VanDerWaalsContact C-N 3.29Å; E87-A89 VanDerWaalsContact C-N 3.26Å; E87-A89 PolarHBondContact O-N 3.36Å; E87-Y90 CarbonylContact O-C 3.56Å; E87-Y90 WeakPolarHBondContact O-CA 3.39Å; E87-Y90 PolarHBondContact O-N 3.49Å; E87-T91 HydrophobicContact CG-CG2 3.83Å; E87-T91 PolarHBondContact O-N 3.39Å; E87-T91 PolarHBondContact O-OG1 3.38Å
88	Y	89.4	Confident	87.1	Confident	47 Å²	47	30 Å²	30	18%	0.184	17%	0.172	C	C	.	.	H	α-helix	trans	-51.5	-42.2	178	171.2	-104	0	0	0	113	P84 L85 Y90 T91 A92 L94 M113 V116	P84-Y88 WeakPolarHBondContact O-CB 3.38Å; P84-Y88 PolarHBondContact O-N 3.04Å; L85-Y88 PolarHBondContact O-N 2.75Å; Y88-Y90 PolarHBondContact O-N 3.09Å; Y88-Y90 VanDerWaalsContact O-N 3.11Å; Y88-T91 PolarHBondContact O-N 2.83Å; Y88-A92 WeakPolarHBondContact O-CA 3.38Å; Y88-A92 PolarHBondContact O-N 2.69Å; Y88-L94 HydrophobicContact CD2-CB 3.75Å; Y88-L94 HydrophobicContact CE2-CB 4.47Å; Y88-L94 HydrophobicContact CG-CB 4.25Å; Y88-M113 HydrophobicContact CD1-CE 3.56Å; Y88-M113 HydrophobicContact CE1-CE 3.93Å; Y88-V116 HydrophobicContact CD1-CG2 3.76Å; Y88-V116 HydrophobicContact CD2-CG2 4.46Å; Y88-V116 HydrophobicContact CE1-CG2 3.49Å; Y88-V116 VanDerWaalsContact CE1-CG2 3.49Å; Y88-V116 HydrophobicContact CE2-CG2 4.24Å; Y88-V116 HydrophobicContact CG-CG2 4.22Å
89	A	88.9	Confident	86.7	Confident	10 Å²	10	35.6 Å²	35.6	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-22.4	177	0	0	0	0	0	114.1	V48 C52 L85 E87	V48-A89 HydrophobicContact CG1-CB 4.42Å; V48-A89 WeakPolarHBondContact CG1-O 3.28Å; C52-A89 HydrophobicContact CB-CB 4.01Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.16Å; E87-A89 VanDerWaalsContact C-N 3.26Å; E87-A89 PolarHBondContact O-N 3.36Å
90	Y	89.1	Confident	86.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-114	-12.6	-176.2	-82.5	-93.2	0	0	0	114.6	L18 L21 N22 R25 A44 H45 V48 L86 E87 Y88	L18-Y90 CarbonylContact C-O 3.53Å; L21-Y90 HydrophobicContact CB-CD1 4.24Å; L21-Y90 HydrophobicContact CB-CE1 4.09Å; L21-Y90 WeakPolarHBondContact O-CE1 3.36Å; N22-Y90 HydrophobicContact CB-CD1 4.17Å; R25-Y90 HydrophobicContact CB-CD1 4.43Å; R25-Y90 HydrophobicContact CB-CE1 3.94Å; R25-Y90 HydrophobicContact CG-CE1 4.34Å; A44-Y90 HydrophobicContact CB-CE2 4.49Å; H45-Y90 WeakPolarHBondContact CB-OH 3.24Å; H45-Y90 PolarHBondContact N-OH 3.26Å; H45-Y90 PolarHBondContact ND1-OH 2.81Å; H45-Y90 VanDerWaalsContact ND1-OH 3.14Å; V48-Y90 HydrophobicContact CB-CE1 4.29Å; V48-Y90 HydrophobicContact CB-CE2 4.13Å; V48-Y90 HydrophobicContact CG1-CD1 4.27Å; V48-Y90 HydrophobicContact CG1-CD2 3.89Å; V48-Y90 HydrophobicContact CG1-CE1 4.06Å; V48-Y90 HydrophobicContact CG1-CE2 3.66Å; V48-Y90 HydrophobicContact CG1-CG 4.21Å; V48-Y90 HydrophobicContact CG2-CE1 4.01Å; L86-Y90 HydrophobicContact CD1-CD2 4.18Å; L86-Y90 HydrophobicContact CD1-CE2 3.97Å; L86-Y90 WeakPolarHBondContact O-CD2 3.45Å; E87-Y90 CarbonylContact O-C 3.56Å; E87-Y90 WeakPolarHBondContact O-CA 3.39Å; E87-Y90 PolarHBondContact O-N 3.49Å; Y88-Y90 PolarHBondContact O-N 3.09Å; Y88-Y90 VanDerWaalsContact O-N 3.11Å
91	T	86.4	Confident	86.4	Confident	29 Å²	29	33 Å²	33	18%	0.178	18%	0.178	C	C	.	.	H	α-helix	trans	-116.1	-11.1	178.9	61.2	0	0	0	0	113	E87 Y88 T93	E87-T91 HydrophobicContact CG-CG2 3.83Å; E87-T91 PolarHBondContact O-N 3.39Å; E87-T91 PolarHBondContact O-OG1 3.38Å; Y88-T91 PolarHBondContact O-N 2.83Å; T91-T93 PolarHBondContact O-N 2.96Å; T91-T93 PolarHBondContact O-OG1 3.49Å; T91-T93 WeakPolarHBondContact OG1-CA 3.32Å; T91-T93 WeakPolarHBondContact OG1-CB 3.33Å; T91-T93 PolarHBondContact OG1-N 3.18Å; T91-T93 PolarHBondContact OG1-O 2.96Å
92	A	82.9	Confident	86.5	Confident	23 Å²	23	38.8 Å²	38.8	19%	0.19	21%	0.207	C	C	.	.	S	Bend	trans	52.3	12.3	-159.9	0	0	0	0	0	114.2	L18 Y88	L18-A92 HydrophobicContact CD1-CB 4.45Å; Y88-A92 WeakPolarHBondContact O-CA 3.38Å; Y88-A92 PolarHBondContact O-N 2.69Å
93	T	83.1	Confident	86.4	Confident	28 Å²	28	41.2 Å²	41.2	17%	0.172	22%	0.22	C	C	.	.			trans	-123.2	109	-170.4	-52.4	0	0	0	0	109.1	T7 H8 N9 T91	T7-T93 HydrophobicContact CG2-CG2 4Å; H8-T93 WeakPolarHBondContact O-CA 3.12Å; N9-T93 WeakPolarHBondContact OD1-CG2 3.34Å; N9-T93 PolarHBondContact OD1-OG1 2.91Å; T91-T93 PolarHBondContact O-N 2.96Å; T91-T93 PolarHBondContact O-OG1 3.49Å; T91-T93 WeakPolarHBondContact OG1-CA 3.32Å; T91-T93 WeakPolarHBondContact OG1-CB 3.33Å; T91-T93 PolarHBondContact OG1-N 3.18Å; T91-T93 PolarHBondContact OG1-O 2.96Å
94	L	84.9	Confident	86.4	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.7	174.9	-177.8	70.2	0	0	0	108.5	T7 P84 L85 Y88 I96 V104 V116	T7-L94 WeakPolarHBondContact CA-O 3.43Å; P84-L94 HydrophobicContact CB-CD1 4Å; L85-L94 HydrophobicContact CD2-CD1 4.33Å; Y88-L94 HydrophobicContact CD2-CB 3.75Å; Y88-L94 HydrophobicContact CE2-CB 4.47Å; Y88-L94 HydrophobicContact CG-CB 4.25Å; L94-I96 HydrophobicContact CD2-CD1 3.71Å; L94-I96 HydrophobicContact CD2-CG1 3.67Å; L94-I96 HydrophobicContact CG-CD1 4.38Å; L94-I96 HydrophobicContact CG-CG1 3.81Å; L94-V104 HydrophobicContact CD1-CG1 4.39Å; L94-V116 HydrophobicContact CD1-CG1 4.26Å; L94-V116 HydrophobicContact CD2-CB 4.32Å; L94-V116 HydrophobicContact CD2-CG1 3.49Å; L94-V116 VanDerWaalsContact CD2-CG1 3.49Å; L94-V116 HydrophobicContact CD2-CG2 4.19Å
95	S	80.6	Confident	86.6	Confident	35 Å²	35	39 Å²	39	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.3	163.7	68.4	0	0	0	0	109.6
96	I	82.3	Confident	86.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.7	-178.7	-42.2	165.5	0	0	0	108.7	L94 I101	L94-I96 HydrophobicContact CD2-CD1 3.71Å; L94-I96 HydrophobicContact CD2-CG1 3.67Å; L94-I96 HydrophobicContact CG-CD1 4.38Å; L94-I96 HydrophobicContact CG-CG1 3.81Å; I96-I101 HydrophobicContact CG2-CB 3.69Å; I96-I101 HydrophobicContact CG2-CD1 3.84Å; I96-I101 HydrophobicContact CG2-CG1 3.68Å
97	N	81.4	Confident	86.7	Confident	49 Å²	49	41 Å²	41	26%	0.262	23%	0.228	S	C	.	.			trans	-112.3	154.8	171.4	-59.8	-27.1	0	0	0	110	V3 E99 N100 I101	V3-N97 HydrophobicContact CG1-CB 4.44Å; V3-N97 WeakPolarHBondContact CG1-OD1 3.34Å; N97-E99 PolarHBondContact O-N 3.34Å; N97-E99 VanDerWaalsContact O-N 3.11Å; N97-N100 WeakPolarHBondContact CA-OD1 3.33Å; N97-N100 WeakPolarHBondContact CB-OD1 3.28Å; N97-N100 PolarHBondContact N-OD1 2.85Å; N97-N100 PolarHBondContact O-N 3.33Å; N97-N100 PolarHBondContact O-OD1 3.44Å; N97-I101 WeakPolarHBondContact O-CB 3.39Å; N97-I101 PolarHBondContact O-N 3.2Å; N97-I101 VanDerWaalsContact O-N 3.1Å
98	T	80.4	Confident	86.9	Confident	84 Å²	84	37.1 Å²	37.1	52%	0.515	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.6	177.7	42.9	0	0	0	0	113.9	F123	T98-F123 HydrophobicContact CG2-CE1 3.94Å; T98-F123 HydrophobicContact CG2-CZ 4.21Å
99	E	82.4	Confident	87	Confident	163 Å²	163	37.9 Å²	37.9	76%	0.762	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-28.2	-177.2	-66.5	166.4	-168.8	0	0	113.2	N97	N97-E99 PolarHBondContact O-N 3.34Å; N97-E99 VanDerWaalsContact O-N 3.11Å
100	N	84.3	Confident	87.2	Confident	28 Å²	28	41.9 Å²	41.9	15%	0.15	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	0.9	-178.5	74.6	-16.6	0	0	0	114.2	N97 I102 D103 V104	N97-N100 WeakPolarHBondContact CA-OD1 3.33Å; N97-N100 WeakPolarHBondContact CB-OD1 3.28Å; N97-N100 PolarHBondContact N-OD1 2.85Å; N97-N100 PolarHBondContact O-N 3.33Å; N97-N100 PolarHBondContact O-OD1 3.44Å; N100-I102 VanDerWaalsContact C-N 3.28Å; N100-I102 PolarHBondContact O-N 2.84Å; N100-D103 WeakPolarHBondContact O-CB 3.26Å; N100-D103 PolarHBondContact O-N 3.39Å; N100-V104 WeakPolarHBondContact O-CG2 3.31Å; N100-V104 PolarHBondContact O-N 2.96Å
101	I	87.6	Confident	87.3	Confident	11 Å²	11	41.9 Å²	41.9	6%	0.056	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-34	-175.7	-171.6	159.3	0	0	0	114	I96 N97 L105 C120 F123 M124	I96-I101 HydrophobicContact CG2-CB 3.69Å; I96-I101 HydrophobicContact CG2-CD1 3.84Å; I96-I101 HydrophobicContact CG2-CG1 3.68Å; N97-I101 WeakPolarHBondContact O-CB 3.39Å; N97-I101 PolarHBondContact O-N 3.2Å; N97-I101 VanDerWaalsContact O-N 3.1Å; I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 PolarHBondContact O-N 3.05Å; I101-C120 HydrophobicContact CD1-CB 4.47Å; I101-C120 WeakPolarHBondContact CD1-O 3.42Å; I101-C120 HydrophobicContact CG1-CB 4.19Å; I101-F123 HydrophobicContact CD1-CB 3.86Å; I101-F123 HydrophobicContact CD1-CD1 3.3Å; I101-F123 HydrophobicContact CD1-CE1 4.11Å; I101-F123 HydrophobicContact CD1-CG 3.86Å; I101-M124 HydrophobicContact CD1-CG 3.58Å; I101-M124 HydrophobicContact CG1-CG 3.94Å; I101-M124 HydrophobicContact CG1-SD 4.46Å; I101-M124 HydrophobicContact CG2-CG 4.27Å
102	I	89.8	Confident	87.5	Confident	120 Å²	120	45 Å²	45	62%	0.615	25%	0.248	S	C	*	.	H	α-helix	trans	-67.9	-45	178.7	-58	177.4	0	0	0	109.9	N100 L105 A106	N100-I102 VanDerWaalsContact C-N 3.28Å; N100-I102 PolarHBondContact O-N 2.84Å; I102-L105 PolarHBondContact O-N 2.85Å; I102-A106 WeakPolarHBondContact O-CB 3.44Å; I102-A106 PolarHBondContact O-N 3.25Å
103	D	90.8	Very high	87.8	Confident	53 Å²	53	44.2 Å²	44.2	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-47.2	174.8	-77.2	19.1	0	0	0	112.1	T78 T80 N100 A106 A107	T78-D103 WeakPolarHBondContact OG1-CB 3.35Å; T78-D103 VanDerWaalsContact OG1-CG 3.31Å; T78-D103 PolarHBondContact OG1-OD2 3.4Å; T80-D103 WeakPolarHBondContact CB-OD2 2.97Å; T80-D103 PolarHBondContact OG1-OD2 3.08Å; N100-D103 WeakPolarHBondContact O-CB 3.26Å; N100-D103 PolarHBondContact O-N 3.39Å; D103-A106 PolarHBondContact O-N 3.32Å; D103-A107 VanDerWaalsContact O-CB 3.22Å; D103-A107 WeakPolarHBondContact O-CB 3.41Å; D103-A107 PolarHBondContact O-N 3.21Å
104	V	91.1	Very high	88.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-40.1	179.6	176.2	0	0	0	0	110.9	P84 L85 L94 N100 A108	P84-V104 HydrophobicContact CB-CG2 4.15Å; P84-V104 HydrophobicContact CG-CG2 3.82Å; L85-V104 HydrophobicContact CD2-CG1 4.03Å; L94-V104 HydrophobicContact CD1-CG1 4.39Å; N100-V104 WeakPolarHBondContact O-CG2 3.31Å; N100-V104 PolarHBondContact O-N 2.96Å; V104-A108 WeakPolarHBondContact O-CB 3.33Å; V104-A108 PolarHBondContact O-N 2.98Å
105	L	92.1	Very high	88.2	Confident	33 Å²	33	52.9 Å²	52.9	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-46.9	174.3	-179.8	80.1	0	0	0	111.8	I101 I102 A108 S109 A117 C120 M124	I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 PolarHBondContact O-N 3.05Å; I102-L105 PolarHBondContact O-N 2.85Å; L105-A108 PolarHBondContact O-N 3.44Å; L105-S109 VanDerWaalsContact O-CB 3.3Å; L105-S109 WeakPolarHBondContact O-CB 3.28Å; L105-S109 PolarHBondContact O-N 3.04Å; L105-S109 PolarHBondContact O-OG 2.94Å; L105-A117 HydrophobicContact CD1-CB 4.32Å; L105-A117 VanDerWaalsContact CD1-O 3.3Å; L105-A117 WeakPolarHBondContact CD1-O 3.22Å; L105-C120 HydrophobicContact CB-CB 4.15Å; L105-C120 HydrophobicContact CD1-CB 3.67Å; L105-M124 HydrophobicContact CD2-CE 3.46Å; L105-M124 VanDerWaalsContact CD2-CE 3.46Å; L105-M124 HydrophobicContact CD2-SD 4.32Å
106	A	92.8	Very high	88.5	Confident	56 Å²	56	51.3 Å²	51.3	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-46.2	179.8	0	0	0	0	0	110.9	I102 D103 S109 Y110	I102-A106 WeakPolarHBondContact O-CB 3.44Å; I102-A106 PolarHBondContact O-N 3.25Å; D103-A106 PolarHBondContact O-N 3.32Å; A106-S109 PolarHBondContact O-N 3.48Å; A106-Y110 WeakPolarHBondContact O-CB 3.39Å; A106-Y110 PolarHBondContact O-N 3Å
107	A	92.7	Very high	88.9	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-47.5	174.6	0	0	0	0	0	111.8	V77 L85 D103 S109 Y110 M111	V77-A107 HydrophobicContact CG1-CB 3.69Å; L85-A107 HydrophobicContact CD1-CB 3.52Å; D103-A107 VanDerWaalsContact O-CB 3.22Å; D103-A107 WeakPolarHBondContact O-CB 3.41Å; D103-A107 PolarHBondContact O-N 3.21Å; A107-S109 VanDerWaalsContact C-N 3.31Å; A107-S109 PolarHBondContact O-N 2.89Å; A107-Y110 PolarHBondContact O-N 3.12Å; A107-M111 VanDerWaalsContact O-CB 3.26Å; A107-M111 WeakPolarHBondContact O-CB 3.46Å; A107-M111 WeakPolarHBondContact O-CG 3.38Å; A107-M111 PolarHBondContact O-N 3.19Å
108	A	92.4	Very high	89.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-38	178.7	0	0	0	0	0	112.2	L85 V104 L105 M111 Q112 M113 V116 A117	L85-A108 HydrophobicContact CD1-CB 4.21Å; L85-A108 HydrophobicContact CD2-CB 4.03Å; V104-A108 WeakPolarHBondContact O-CB 3.33Å; V104-A108 PolarHBondContact O-N 2.98Å; L105-A108 PolarHBondContact O-N 3.44Å; A108-M111 CarbonylContact O-C 3.29Å; A108-M111 PolarHBondContact O-N 2.89Å; A108-Q112 PolarHBondContact O-N 3.39Å; A108-M113 HydrophobicContact CB-CB 4.21Å; A108-M113 PolarHBondContact O-N 3.05Å; A108-V116 HydrophobicContact CB-CB 4.23Å; A108-V116 HydrophobicContact CB-CG1 3.82Å; A108-A117 HydrophobicContact CB-CB 4.32Å
109	S	92.1	Very high	89.6	Confident	62 Å²	62	50 Å²	50	43%	0.434	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-46.1	178.1	-56.7	0	0	0	0	111.5	L105 A106 A107 M111 Q112	L105-S109 VanDerWaalsContact O-CB 3.3Å; L105-S109 WeakPolarHBondContact O-CB 3.28Å; L105-S109 PolarHBondContact O-N 3.04Å; L105-S109 PolarHBondContact O-OG 2.94Å; A106-S109 PolarHBondContact O-N 3.48Å; A107-S109 VanDerWaalsContact C-N 3.31Å; A107-S109 PolarHBondContact O-N 2.89Å; S109-M111 VanDerWaalsContact C-N 3.29Å; S109-M111 PolarHBondContact O-N 3.33Å; S109-Q112 PolarHBondContact O-N 3.31Å
110	Y	92.4	Very high	89.9	Confident	94 Å²	94	42.2 Å²	42.2	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-40.2	174.1	178.5	-98.3	0	0	0	111.8	F55 H76 V77 A106 A107 Q112	F55-Y110 HydrophobicContact CE2-CE1 4.35Å; F55-Y110 AromaticContact CZ-CE1 3.93Å; F55-Y110 HydrophobicContact CZ-CE1 3.93Å; H76-Y110 HydrophobicContact CB-CE2 4.17Å; V77-Y110 HydrophobicContact CG2-CD1 3.56Å; V77-Y110 HydrophobicContact CG2-CE1 3.89Å; V77-Y110 HydrophobicContact CG2-CG 4.36Å; A106-Y110 WeakPolarHBondContact O-CB 3.39Å; A106-Y110 PolarHBondContact O-N 3Å; A107-Y110 PolarHBondContact O-N 3.12Å; Y110-Q112 VanDerWaalsContact C-N 3.29Å; Y110-Q112 PolarHBondContact O-N 3Å
111	M	90.6	Very high	90.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	12.6	179.5	-61.4	170.4	51.9	0	0	113.4	S53 F55 F56 L74 F82 L85 A107 A108 S109 M113	S53-M111 WeakPolarHBondContact CB-O 3.37Å; S53-M111 PolarHBondContact OG-O 3.32Å; F55-M111 HydrophobicContact CD1-CB 4.49Å; F55-M111 HydrophobicContact CD1-CG 4.47Å; F56-M111 HydrophobicContact CD2-CE 4.34Å; F56-M111 HydrophobicContact CE1-CE 4.33Å; F56-M111 HydrophobicContact CE2-CE 3.33Å; F56-M111 HydrophobicContact CZ-CE 3.33Å; L74-M111 HydrophobicContact CD1-SD 4.46Å; F82-M111 HydrophobicContact CD2-CE 4.28Å; F82-M111 HydrophobicContact CD2-SD 4.08Å; F82-M111 HydrophobicContact CE2-CE 4.05Å; F82-M111 HydrophobicContact CE2-SD 4.36Å; L85-M111 HydrophobicContact CD1-CE 4.44Å; L85-M111 HydrophobicContact CD1-SD 4.02Å; A107-M111 VanDerWaalsContact O-CB 3.26Å; A107-M111 WeakPolarHBondContact O-CB 3.46Å; A107-M111 WeakPolarHBondContact O-CG 3.38Å; A107-M111 PolarHBondContact O-N 3.19Å; A108-M111 CarbonylContact O-C 3.29Å; A108-M111 PolarHBondContact O-N 2.89Å; S109-M111 VanDerWaalsContact C-N 3.29Å; S109-M111 PolarHBondContact O-N 3.33Å; M111-M113 HydrophobicContact CB-CG 4.37Å; M111-M113 HydrophobicContact CB-SD 4.35Å; M111-M113 HydrophobicContact CE-SD 4.1Å; M111-M113 PolarHBondContact O-N 3.22Å; M111-M113 VanDerWaalsContact O-N 3.07Å
112	Q	90.8	Very high	90.2	Very high	94 Å²	94	47.2 Å²	47.2	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	25.1	175.8	-58.5	-179.5	-9.2	0	0	115.3	F55 A108 S109 Y110 F114	F55-Q112 HydrophobicContact CB-CB 4.28Å; F55-Q112 HydrophobicContact CB-CG 4.3Å; A108-Q112 PolarHBondContact O-N 3.39Å; S109-Q112 PolarHBondContact O-N 3.31Å; Y110-Q112 VanDerWaalsContact C-N 3.29Å; Y110-Q112 PolarHBondContact O-N 3Å; Q112-F114 HydrophobicContact CB-CE2 3.93Å; Q112-F114 HydrophobicContact CB-CZ 4.09Å; Q112-F114 HydrophobicContact CG-CZ 4.32Å; Q112-F114 WeakPolarHBondContact O-CD2 3.48Å; Q112-F114 WeakPolarHBondContact O-CE2 3.48Å; Q112-F114 PolarHBondContact O-N 2.97Å
113	M	89.8	Confident	90	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.03	24%	0.237	C	C	.	.			trans	-82.8	65	177.2	-66.4	174.3	66.1	0	0	110.3	L85 Y88 A108 M111 S115 V116 A117	L85-M113 HydrophobicContact CB-CE 4.18Å; L85-M113 HydrophobicContact CB-SD 4.14Å; L85-M113 HydrophobicContact CD1-SD 4.23Å; L85-M113 HydrophobicContact CD2-CE 3.93Å; L85-M113 HydrophobicContact CD2-SD 4.18Å; L85-M113 HydrophobicContact CG-SD 4.42Å; Y88-M113 HydrophobicContact CD1-CE 3.56Å; Y88-M113 HydrophobicContact CE1-CE 3.93Å; A108-M113 HydrophobicContact CB-CB 4.21Å; A108-M113 PolarHBondContact O-N 3.05Å; M111-M113 HydrophobicContact CB-CG 4.37Å; M111-M113 HydrophobicContact CB-SD 4.35Å; M111-M113 HydrophobicContact CE-SD 4.1Å; M111-M113 PolarHBondContact O-N 3.22Å; M111-M113 VanDerWaalsContact O-N 3.07Å; M113-S115 VanDerWaalsContact C-N 3.26Å; M113-S115 PolarHBondContact O-N 2.87Å; M113-S115 VanDerWaalsContact O-N 3.15Å; M113-V116 HydrophobicContact CB-CB 4.32Å; M113-V116 HydrophobicContact CE-CG2 4.1Å; M113-V116 PolarHBondContact O-N 2.99Å; M113-A117 PolarHBondContact O-N 3.46Å
114	F	88.8	Confident	89.8	Confident	147 Å²	147	43 Å²	43	65%	0.645	24%	0.236	S	C	*	.	H	α-helix	trans	-56.5	-33.3	-170.2	-61.3	-69.9	0	0	0	114.6	Q112 A117 S118	Q112-F114 HydrophobicContact CB-CE2 3.93Å; Q112-F114 HydrophobicContact CB-CZ 4.09Å; Q112-F114 HydrophobicContact CG-CZ 4.32Å; Q112-F114 WeakPolarHBondContact O-CD2 3.48Å; Q112-F114 WeakPolarHBondContact O-CE2 3.48Å; Q112-F114 PolarHBondContact O-N 2.97Å; F114-A117 PolarHBondContact O-N 3.15Å; F114-S118 PolarHBondContact O-N 3.06Å
115	S	86.7	Confident	89.4	Confident	71 Å²	71	49.5 Å²	49.5	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-46.8	174.7	51.3	0	0	0	0	112.1	M113 S118 T119	M113-S115 VanDerWaalsContact C-N 3.26Å; M113-S115 PolarHBondContact O-N 2.87Å; M113-S115 VanDerWaalsContact O-N 3.15Å; S115-S118 PolarHBondContact O-N 3.2Å; S115-T119 PolarHBondContact O-N 3.45Å; S115-T119 VanDerWaalsContact O-N 3.17Å
116	V	87.9	Confident	88.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-40.6	176.5	171.1	0	0	0	0	111.3	L85 Y88 L94 A108 M113 S118 T119 C120	L85-V116 HydrophobicContact CD2-CB 4.41Å; L85-V116 HydrophobicContact CD2-CG1 3.57Å; Y88-V116 HydrophobicContact CD1-CG2 3.76Å; Y88-V116 HydrophobicContact CD2-CG2 4.46Å; Y88-V116 HydrophobicContact CE1-CG2 3.49Å; Y88-V116 VanDerWaalsContact CE1-CG2 3.49Å; Y88-V116 HydrophobicContact CE2-CG2 4.24Å; Y88-V116 HydrophobicContact CG-CG2 4.22Å; L94-V116 HydrophobicContact CD1-CG1 4.26Å; L94-V116 HydrophobicContact CD2-CB 4.32Å; L94-V116 HydrophobicContact CD2-CG1 3.49Å; L94-V116 VanDerWaalsContact CD2-CG1 3.49Å; L94-V116 HydrophobicContact CD2-CG2 4.19Å; A108-V116 HydrophobicContact CB-CB 4.23Å; A108-V116 HydrophobicContact CB-CG1 3.82Å; M113-V116 HydrophobicContact CB-CB 4.32Å; M113-V116 HydrophobicContact CE-CG2 4.1Å; M113-V116 PolarHBondContact O-N 2.99Å; V116-S118 VanDerWaalsContact C-N 3.25Å; V116-S118 PolarHBondContact O-N 3.27Å; V116-T119 PolarHBondContact O-N 2.83Å; V116-T119 PolarHBondContact O-OG1 3.42Å; V116-T119 VanDerWaalsContact O-OG1 3.1Å; V116-C120 WeakPolarHBondContact O-CB 3.44Å; V116-C120 PolarHBondContact O-N 3.03Å; V116-C120 PolarHBondContact O-SG 3.47Å; V116-C120 VanDerWaalsContact O-SG 3.34Å
117	A	90.8	Very high	87.8	Confident	12 Å²	12	49.6 Å²	49.6	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-35.2	175.3	0	0	0	0	0	112.2	L105 A108 M113 F114 S121	L105-A117 HydrophobicContact CD1-CB 4.32Å; L105-A117 VanDerWaalsContact CD1-O 3.3Å; L105-A117 WeakPolarHBondContact CD1-O 3.22Å; A108-A117 HydrophobicContact CB-CB 4.32Å; M113-A117 PolarHBondContact O-N 3.46Å; F114-A117 PolarHBondContact O-N 3.15Å; A117-S121 VanDerWaalsContact O-CB 3.31Å; A117-S121 WeakPolarHBondContact O-CB 3.21Å; A117-S121 PolarHBondContact O-N 2.87Å; A117-S121 PolarHBondContact O-OG 3.26Å
118	S	89.4	Confident	86.4	Confident	56 Å²	56	55.3 Å²	55.3	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-67.8	-47.8	174	-158.3	0	0	0	0	112.2	F114 S115 V116 C120 S121 E122	F114-S118 PolarHBondContact O-N 3.06Å; S115-S118 PolarHBondContact O-N 3.2Å; V116-S118 VanDerWaalsContact C-N 3.25Å; V116-S118 PolarHBondContact O-N 3.27Å; S118-C120 PolarHBondContact O-N 3.27Å; S118-S121 CarbonylContact O-C 3.46Å; S118-S121 WeakPolarHBondContact O-CA 3.02Å; S118-S121 WeakPolarHBondContact O-CB 3.47Å; S118-S121 PolarHBondContact O-N 2.92Å; S118-E122 WeakPolarHBondContact O-CG 3.33Å; S118-E122 PolarHBondContact O-N 3.13Å; S118-E122 PolarHBondContact OG-OE1 3.34Å
119	T	87.3	Confident	84.5	Confident	37 Å²	37	61.3 Å²	61.3	23%	0.227	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-37.6	-179.1	56.5	0	0	0	0	112.3	S115 V116 E122 F123	S115-T119 PolarHBondContact O-N 3.45Å; S115-T119 VanDerWaalsContact O-N 3.17Å; V116-T119 PolarHBondContact O-N 2.83Å; V116-T119 PolarHBondContact O-OG1 3.42Å; V116-T119 VanDerWaalsContact O-OG1 3.1Å; T119-E122 PolarHBondContact O-N 2.87Å; T119-F123 WeakPolarHBondContact O-CB 3.39Å; T119-F123 PolarHBondContact O-N 3.44Å
120	C	88.9	Confident	82.3	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-45	167.9	-68.2	0	0	0	0	111.6	I101 L105 V116 S118 E122 F123 M124	I101-C120 HydrophobicContact CD1-CB 4.47Å; I101-C120 WeakPolarHBondContact CD1-O 3.42Å; I101-C120 HydrophobicContact CG1-CB 4.19Å; L105-C120 HydrophobicContact CB-CB 4.15Å; L105-C120 HydrophobicContact CD1-CB 3.67Å; V116-C120 WeakPolarHBondContact O-CB 3.44Å; V116-C120 PolarHBondContact O-N 3.03Å; V116-C120 PolarHBondContact O-SG 3.47Å; V116-C120 VanDerWaalsContact O-SG 3.34Å; S118-C120 PolarHBondContact O-N 3.27Å; C120-E122 PolarHBondContact O-N 3Å; C120-F123 PolarHBondContact O-N 3.12Å; C120-M124 WeakPolarHBondContact O-CG 3.13Å; C120-M124 PolarHBondContact O-N 3Å
121	S	90.2	Very high	79.9	Confident	36 Å²	36	70.4 Å²	70.4	25%	0.252	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-37.8	178.8	-63.3	0	0	0	0	113.2	A117 S118 K125	A117-S121 VanDerWaalsContact O-CB 3.31Å; A117-S121 WeakPolarHBondContact O-CB 3.21Å; A117-S121 PolarHBondContact O-N 2.87Å; A117-S121 PolarHBondContact O-OG 3.26Å; S118-S121 CarbonylContact O-C 3.46Å; S118-S121 WeakPolarHBondContact O-CA 3.02Å; S118-S121 WeakPolarHBondContact O-CB 3.47Å; S118-S121 PolarHBondContact O-N 2.92Å; S121-K125 WeakPolarHBondContact O-CD 3.43Å; S121-K125 VanDerWaalsContact O-CG 3.24Å; S121-K125 WeakPolarHBondContact O-CG 3.44Å; S121-K125 PolarHBondContact O-N 2.93Å; S121-K125 VanDerWaalsContact O-N 3.1Å
122	E	87.8	Confident	77.2	Confident	108 Å²	108	75 Å²	75	51%	0.505	39%	0.389	S	S	.	.	H	α-helix	trans	-70.7	-38.6	175.7	-73.2	163.9	-140.5	0	0	112.1	S118 T119 C120 K125 S126	S118-E122 WeakPolarHBondContact O-CG 3.33Å; S118-E122 PolarHBondContact O-N 3.13Å; S118-E122 PolarHBondContact OG-OE1 3.34Å; T119-E122 PolarHBondContact O-N 2.87Å; C120-E122 PolarHBondContact O-N 3Å; E122-K125 PolarHBondContact O-N 3.18Å; E122-S126 PolarHBondContact O-N 2.89Å; E122-S126 PolarHBondContact O-OG 3.09Å
123	F	84.4	Confident	74.8	Confident	28 Å²	28	76.2 Å²	76.2	12%	0.123	40%	0.404	C	S	.	.	H	α-helix	trans	-63.5	-42.3	173.3	-174.4	-75.4	0	0	0	111.7	F6 T98 I101 T119 C120 S126 S127	F6-F123 HydrophobicContact CB-CD2 4.08Å; F6-F123 HydrophobicContact CB-CE2 4.04Å; T98-F123 HydrophobicContact CG2-CE1 3.94Å; T98-F123 HydrophobicContact CG2-CZ 4.21Å; I101-F123 HydrophobicContact CD1-CB 3.86Å; I101-F123 HydrophobicContact CD1-CD1 3.3Å; I101-F123 HydrophobicContact CD1-CE1 4.11Å; I101-F123 HydrophobicContact CD1-CG 3.86Å; T119-F123 WeakPolarHBondContact O-CB 3.39Å; T119-F123 PolarHBondContact O-N 3.44Å; C120-F123 PolarHBondContact O-N 3.12Å; F123-S126 PolarHBondContact O-N 2.97Å; F123-S126 PolarHBondContact O-OG 3.46Å; F123-S127 WeakPolarHBondContact CD1-OG 3.4Å; F123-S127 WeakPolarHBondContact CE1-OG 3.34Å; F123-S127 WeakPolarHBondContact O-CB 3.33Å; F123-S127 PolarHBondContact O-N 3.43Å; F123-S127 PolarHBondContact O-OG 2.82Å
124	M	86.3	Confident	72	Confident	56 Å²	56	82.9 Å²	82.9	28%	0.276	44%	0.44	S	S	.	.	H	α-helix	trans	-62.4	-46.3	174.6	-69.4	-167.9	-56.5	0	0	111.9	I101 L105 C120 S126 S127 I128	I101-M124 HydrophobicContact CD1-CG 3.58Å; I101-M124 HydrophobicContact CG1-CG 3.94Å; I101-M124 HydrophobicContact CG1-SD 4.46Å; I101-M124 HydrophobicContact CG2-CG 4.27Å; L105-M124 HydrophobicContact CD2-CE 3.46Å; L105-M124 VanDerWaalsContact CD2-CE 3.46Å; L105-M124 HydrophobicContact CD2-SD 4.32Å; C120-M124 WeakPolarHBondContact O-CG 3.13Å; C120-M124 PolarHBondContact O-N 3Å; M124-S126 PolarHBondContact O-N 3.4Å; M124-S127 PolarHBondContact O-N 3.48Å; M124-I128 WeakPolarHBondContact O-CG1 3.34Å; M124-I128 PolarHBondContact O-N 2.83Å; M124-I128 VanDerWaalsContact O-N 3.11Å
125	K	83.9	Confident	69.4	Low	137 Å²	137	81.2 Å²	81.2	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-58.2	-45.6	176.9	-72.9	165.8	-174.7	171.9	0	112.1	S121 E122 I128 L129	S121-K125 WeakPolarHBondContact O-CD 3.43Å; S121-K125 VanDerWaalsContact O-CG 3.24Å; S121-K125 WeakPolarHBondContact O-CG 3.44Å; S121-K125 PolarHBondContact O-N 2.93Å; S121-K125 VanDerWaalsContact O-N 3.1Å; E122-K125 PolarHBondContact O-N 3.18Å; K125-I128 PolarHBondContact O-N 2.88Å; K125-L129 WeakPolarHBondContact O-CG 3.14Å; K125-L129 PolarHBondContact O-N 3.13Å
126	S	79	Confident	66.9	Low	49 Å²	49	86.5 Å²	86.5	34%	0.343	46%	0.464	S	S	.	.	H	α-helix	trans	-67.5	-38.2	177.5	61.2	0	0	0	0	112.3	E122 F123 M124 I128 L129 W130	E122-S126 PolarHBondContact O-N 2.89Å; E122-S126 PolarHBondContact O-OG 3.09Å; F123-S126 PolarHBondContact O-N 2.97Å; F123-S126 PolarHBondContact O-OG 3.46Å; M124-S126 PolarHBondContact O-N 3.4Å; S126-I128 VanDerWaalsContact C-N 3.28Å; S126-I128 PolarHBondContact O-N 2.89Å; S126-L129 PolarHBondContact O-N 3.35Å; S126-W130 PolarHBondContact O-N 3.49Å
127	S	71.7	Confident	64.5	Low	43 Å²	43	95.9 Å²	95.9	30%	0.301	51%	0.507	S	S	.	.	H	α-helix	trans	-60.9	-34.3	176.6	-61.9	0	0	0	0	113.2	F123 M124	F123-S127 WeakPolarHBondContact CD1-OG 3.4Å; F123-S127 WeakPolarHBondContact CE1-OG 3.34Å; F123-S127 WeakPolarHBondContact O-CB 3.33Å; F123-S127 PolarHBondContact O-N 3.43Å; F123-S127 PolarHBondContact O-OG 2.82Å; M124-S127 PolarHBondContact O-N 3.48Å
128	I	62.7	Low	61.6	Low	123 Å²	123	104.6 Å²	104.6	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-69	-43	175.2	-66.2	161.9	0	0	0	111	M124 K125 S126 W130 N131	M124-I128 WeakPolarHBondContact O-CG1 3.34Å; M124-I128 PolarHBondContact O-N 2.83Å; M124-I128 VanDerWaalsContact O-N 3.11Å; K125-I128 PolarHBondContact O-N 2.88Å; S126-I128 VanDerWaalsContact C-N 3.28Å; S126-I128 PolarHBondContact O-N 2.89Å; I128-W130 VanDerWaalsContact C-N 3.31Å; I128-W130 PolarHBondContact O-N 3.45Å; I128-N131 PolarHBondContact O-N 3.3Å; I128-N131 VanDerWaalsContact O-N 3.15Å
129	L	53.3	Low	58.7	Low	126 Å²	126	111.1 Å²	111.1	66%	0.66	57%	0.567	S	S	*	*	H	α-helix	trans	-62.4	-35.1	-176.1	-71.5	166.2	0	0	0	113.1	K125 S126 N131 T132	K125-L129 WeakPolarHBondContact O-CG 3.14Å; K125-L129 PolarHBondContact O-N 3.13Å; S126-L129 PolarHBondContact O-N 3.35Å; L129-N131 PolarHBondContact O-N 3.37Å; L129-T132 PolarHBondContact O-N 3.21Å; L129-T132 PolarHBondContact O-OG1 3.11Å
130	W	45.3	Very low	56	Low	205 Å²	205	115.4 Å²	115.4	78%	0.777	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-16.6	177.4	-71	110.8	0	0	0	114.7	S126 I128 T132	S126-W130 PolarHBondContact O-N 3.49Å; I128-W130 VanDerWaalsContact C-N 3.31Å; I128-W130 PolarHBondContact O-N 3.45Å; W130-T132 VanDerWaalsContact C-N 3.32Å
131	N	42.7	Very low	53.1	Low	143 Å²	143	123.5 Å²	123.5	77%	0.765	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	5.5	178.9	-79.7	-6.1	0	0	0	113.7	I128 L129 P133	I128-N131 PolarHBondContact O-N 3.3Å; I128-N131 VanDerWaalsContact O-N 3.15Å; L129-N131 PolarHBondContact O-N 3.37Å; N131-P133 WeakPolarHBondContact O-CD 3.42Å
132	T	34.7	Very low	50.1	Low	98 Å²	98	129 Å²	129	60%	0.601	66%	0.662	S	S	*	*	S	Bend	trans	-79.5	115.2	173.6	-34.1	0	0	0	0	109.4	L129 W130 N134	L129-T132 PolarHBondContact O-N 3.21Å; L129-T132 PolarHBondContact O-OG1 3.11Å; W130-T132 VanDerWaalsContact C-N 3.32Å; T132-N134 VanDerWaalsContact C-N 3.34Å; T132-N134 PolarHBondContact O-N 3.08Å
133	P	39.3	Very low	47.3	Very low	119 Å²	119	128.3 Å²	128.3	77%	0.773	68%	0.675	S	S	*	*			trans	-76.7	83.8	-176.6	31.5	-34.9	0	0	0	110.8	N131 S135	N131-P133 WeakPolarHBondContact O-CD 3.42Å; P133-S135 PolarHBondContact O-N 3.37Å; P133-S135 VanDerWaalsContact O-N 3.13Å
134	N	31.8	Very low	44.6	Very low	145 Å²	145	130.2 Å²	130.2	78%	0.775	70%	0.703	S	S	*	*			trans	-77.1	98.6	176.1	-167.2	24.4	0	0	0	110.4	T132 Q136	T132-N134 VanDerWaalsContact C-N 3.34Å; T132-N134 PolarHBondContact O-N 3.08Å; N134-Q136 PolarHBondContact O-N 3.4Å
135	S	34.4	Very low	41.8	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	73%	0.727	S	S	*	*			trans	-67.7	93.4	177.4	-70.1	0	0	0	0	112.1	P133	P133-S135 PolarHBondContact O-N 3.37Å; P133-S135 VanDerWaalsContact O-N 3.13Å
136	Q	33.7	Very low	39.2	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	73%	0.73	S	S	*	*			trans	-139.1	122.3	150.8	-112.2	162.2	20.1	0	0	110.9	N134	N134-Q136 PolarHBondContact O-N 3.4Å
137	Q	36.2	Very low	36.7	Very low	198 Å²	198	139.6 Å²	139.6	93%	0.925	75%	0.747	S	S	*	*			trans	-102.2	107.7	-171.8	174.7	-173.8	42.6	0	0	108.2
138	E	30.3	Very low	34.5	Very low	195 Å²	195	142.6 Å²	142.6	91%	0.911	77%	0.768	S	S	*	*			trans	-136.6	163.7	168	-133.2	171.5	-166.2	0	0	112.6
139	K	28.2	Very low	33	Very low	193 Å²	193	140.9 Å²	140.9	84%	0.839	77%	0.772	S	S	*	*			trans	-101	131.6	-139.3	-139.8	175.9	-173.1	178.1	0	112.6	L141	K139-L141 PolarHBondContact O-N 2.94Å
140	V	31	Very low	31.8	Very low	128 Å²	128	142.3 Å²	142.3	78%	0.776	78%	0.78	S	S	*	*			trans	-68.7	125.2	163.5	177.5	0	0	0	0	109.2
141	L	29.5	Very low	30.8	Very low	170 Å²	170	138.7 Å²	138.7	89%	0.89	79%	0.785	S	S	*	*			trans	-134.4	135.6	146.1	-77.7	-180	0	0	0	107.9	K139	K139-L141 PolarHBondContact O-N 2.94Å
142	D	25.6	Very low	30	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	78%	0.783	S	S	*	*			trans	-118.7	135.1	-176.1	169.8	33.9	0	0	0	109.1
143	A	28.7	Very low	29.5	Very low	95 Å²	95	141.8 Å²	141.8	79%	0.785	79%	0.79	S	S	*	*			trans	178.4	135.9	156.1	0	0	0	0	0	112.4
144	G	27.6	Very low	28.9	Very low	68 Å²	68	141.9 Å²	141.9	70%	0.701	79%	0.788	S	S	*	*			trans	98	89	131.9	0	0	0	0	0	120.1
145	Q	29.5	Very low	28.6	Very low	165 Å²	165	140.5 Å²	140.5	77%	0.771	79%	0.79	S	S	*	*			trans	44.2	114.9	131.1	-69	-179.4	-87.7	0	0	122.5
146	E	27.3	Very low	28.4	Very low	143 Å²	143	146 Å²	146	67%	0.668	79%	0.794	S	S	*	*				85.2	147.5	120.1	-69.7	179.6	-135.7	0	0	124.2
147	N	27.3	Very low	28.1	Very low	131 Å²	131	144 Å²	144	70%	0.701	79%	0.789	S	S	*	*			trans	65.8	94.2	153.5	-61.7	-34.7	0	0	0	121.1
148	S	26.5	Very low	27.7	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	78%	0.775	S	S	*	*				23.5	121.8	123.1	61.6	0	0	0	0	120
149	A	30.9	Very low	27.7	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	77%	0.768	S	S	*	*				167.9	148.5	98.1	0	0	0	0	0	114
150	N	28.4	Very low	27.7	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	77%	0.769	S	S	*	*			trans	36.4	92.5	149.3	-60.3	-6.8	0	0	0	119.6
151	C	24	Very low	27.7	Very low	128 Å²	128	131.3 Å²	131.3	87%	0.865	77%	0.769	S	S	*	*			trans	-79	136.8	155.8	51.4	0	0	0	0	111.6
152	N	25.2	Very low	28.6	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	76%	0.762	S	S	*	*			trans	-156.6	135.5	177.9	-124.7	-8.5	0	0	0	111.8
153	F	24.3	Very low	28.8	Very low	171 Å²	171	127.6 Å²	127.6	75%	0.75	76%	0.761	S	S	*	*			trans	52.6	103	163.7	-71.3	-93.2	0	0	0	119
154	T	26.4	Very low	28.9	Very low	121 Å²	121	127.6 Å²	127.6	74%	0.742	76%	0.755	S	S	*	*				88.5	115.1	71.8	59.2	0	0	0	0	117.1
155	S	25.2	Very low	29.5	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	76%	0.758	S	S	*	*			trans	-176.5	140.8	149.7	47.3	0	0	0	0	107.1
156	R	30	Very low	29.5	Very low	228 Å²	228	131.2 Å²	131.2	86%	0.86	77%	0.766	S	S	*	*			cis	75.3	125.9	21	-155.9	162.5	87.5	170.6	5	113
157	D	27.8	Very low	29.5	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	77%	0.768	S	S	*	*			cis	-151	169.2	18.3	-138.5	-36.5	0	0	0	113.8
158	G	28	Very low	29.6	Very low	62 Å²	62	129.3 Å²	129.3	64%	0.639	78%	0.777	S	S	*	*			trans	72.2	168.8	156.2	0	0	0	0	0	119.5
159	S	29.5	Very low	29.8	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	77%	0.773	S	S	*	*			cis	-172.9	173.1	-21.5	54.5	0	0	0	0	110.5
160	L	29.4	Very low	29.9	Very low	165 Å²	165	132.6 Å²	132.6	86%	0.864	78%	0.783	S	S	*	*			trans	112	120	160	-60.3	172.2	0	0	0	118.1
161	S	30.8	Very low	30	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	77%	0.77	S	S	*	*			trans	-120.8	166.5	154.4	-42.4	0	0	0	0	106.5
162	P	48.9	Very low	30.2	Very low	113 Å²	113	134 Å²	134	73%	0.734	76%	0.764	S	S	*	*				-158.7	175.4	85	41.9	-22.7	0	0	0	116.8
163	V	28.6	Very low	30.2	Very low	130 Å²	130	134 Å²	134	79%	0.788	77%	0.768	S	S	*	*			trans	63.9	137.5	142.7	158.7	0	0	0	0	118.1
164	S	31.4	Very low	30.8	Very low	95 Å²	95	132.7 Å²	132.7	66%	0.664	77%	0.768	S	S	*	*			cis	-171.2	-177.1	-10	-101	0	0	0	0	109.5
165	S	39.5	Very low	31.1	Very low	107 Å²	107	133 Å²	133	75%	0.748	77%	0.772	S	S	*	*			cis	166.9	120.2	-37	-75	0	0	0	0	107.4
166	E	30.5	Very low	31.7	Very low	202 Å²	202	133.7 Å²	133.7	94%	0.944	77%	0.771	S	S	*	*			trans	-141.5	159.5	162.9	70.8	-179.1	132.4	0	0	112.4
167	C	26.6	Very low	31.4	Very low	107 Å²	107	128.1 Å²	128.1	72%	0.723	77%	0.766	S	S	*	*			trans	-158.3	148.3	-165.8	178	0	0	0	0	110.6
168	S	29.7	Very low	31.3	Very low	126 Å²	126	132.2 Å²	132.2	88%	0.881	77%	0.771	S	S	*	*			trans	-154	143.4	160.9	-84.3	0	0	0	0	111.2
169	V	30.9	Very low	31.4	Very low	108 Å²	108	135.1 Å²	135.1	66%	0.655	77%	0.768	S	S	*	*			trans	-130.2	136.3	-168.6	174.1	0	0	0	0	110.3	E171	V169-E171 HydrophobicContact CG1-CB 4.42Å
170	V	31.9	Very low	31.2	Very low	154 Å²	154	135.6 Å²	135.6	93%	0.933	77%	0.771	S	S	*	*			trans	-135.5	145.4	153.6	-177.6	0	0	0	0	107.6
171	E	31	Very low	31.3	Very low	118 Å²	118	137.1 Å²	137.1	55%	0.551	77%	0.765	S	S	*	*			trans	-141.9	156.6	-159	-160.7	-151	126.1	0	0	111.9	V169	V169-E171 HydrophobicContact CG1-CB 4.42Å
172	R	28.8	Very low	31.4	Very low	197 Å²	197	143.6 Å²	143.6	74%	0.743	77%	0.773	S	S	*	*			trans	76.4	154.1	168.5	-42.3	170.2	-160.9	123.8	16.2	114.1
173	T	25.9	Very low	30.6	Very low	134 Å²	134	147.6 Å²	147.6	82%	0.822	78%	0.778	S	S	*	*			cis	-134.4	167	14.4	40.5	0	0	0	0	112.8
174	I	36.3	Very low	30.7	Very low	144 Å²	144	153.3 Å²	153.3	74%	0.738	79%	0.786	S	S	*	*			trans	-95.4	157.2	173.5	-31.5	177.2	0	0	0	109.7	V176	I174-V176 HydrophobicContact CG2-CG2 4.05Å
175	P	32.9	Very low	30.5	Very low	129 Å²	129	156.6 Å²	156.6	84%	0.838	79%	0.788	S	S	*	*				-138.7	142.6	115	37.1	-26.9	0	0	0	114.9
176	V	37.3	Very low	29.9	Very low	129 Å²	129	157 Å²	157	78%	0.782	79%	0.791	S	S	*	*			trans	-102.1	125.6	170.7	169.9	0	0	0	0	109.7	I174	I174-V176 HydrophobicContact CG2-CG2 4.05Å
177	C	23.7	Very low	29.6	Very low	111 Å²	111	156.2 Å²	156.2	75%	0.75	78%	0.781	S	S	*	*			trans	-159.3	126.9	159.4	-112.6	0	0	0	0	116.9
178	R	26.6	Very low	29.8	Very low	226 Å²	226	159 Å²	159	85%	0.853	79%	0.787	S	S	*	*			trans	60.4	102.7	138.2	-72.3	179.6	165.4	158.3	-1.6	122.3
179	E	28.6	Very low	29.7	Very low	122 Å²	122	159.3 Å²	159.3	57%	0.57	78%	0.783	S	S	*	*				50.6	124.2	95.3	177.2	65.8	-125.1	0	0	119.2	R181	E179-R181 VanDerWaalsContact OE1-CB 3.29Å; E179-R181 WeakPolarHBondContact OE1-CB 3.41Å; E179-R181 VanDerWaalsContact OE1-CD 3.25Å; E179-R181 WeakPolarHBondContact OE1-CD 3.06Å; E179-R181 WeakPolarHBondContact OE1-CG 3.01Å; E179-R181 PolarHBondContact OE1-N 3.22Å; E179-R181 IonicContact OE1-NE 3.84Å; E179-R181 PolarHBondContact OE1-NE 3.12Å; E179-R181 IonicContact OE2-CZ 3.41Å; E179-R181 IonicContact OE2-NE 3.91Å; E179-R181 PolarHBondContact OE2-NE 2.9Å; E179-R181 VanDerWaalsContact OE2-NE 3.15Å; E179-R181 IonicContact OE2-NH2 3.87Å
180	S	26.2	Very low	29.5	Very low	119 Å²	119	162 Å²	162	83%	0.832	79%	0.79	S	S	*	*			trans	-154.6	78	150.8	-156.1	0	0	0	0	114.8
181	R	31.6	Very low	29.4	Very low	197 Å²	197	160.1 Å²	160.1	74%	0.743	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-65.2	136.3	158.1	-66.3	157.1	-155.6	-123.1	2.6	109.7	E179	E179-R181 VanDerWaalsContact OE1-CB 3.29Å; E179-R181 WeakPolarHBondContact OE1-CB 3.41Å; E179-R181 VanDerWaalsContact OE1-CD 3.25Å; E179-R181 WeakPolarHBondContact OE1-CD 3.06Å; E179-R181 WeakPolarHBondContact OE1-CG 3.01Å; E179-R181 PolarHBondContact OE1-N 3.22Å; E179-R181 IonicContact OE1-NE 3.84Å; E179-R181 PolarHBondContact OE1-NE 3.12Å; E179-R181 IonicContact OE2-CZ 3.41Å; E179-R181 IonicContact OE2-NE 3.91Å; E179-R181 PolarHBondContact OE2-NE 2.9Å; E179-R181 VanDerWaalsContact OE2-NE 3.15Å; E179-R181 IonicContact OE2-NH2 3.87Å
182	R	33.4	Very low	30.1	Very low	248 Å²	248	159.3 Å²	159.3	94%	0.936	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.3	125.7	156.9	-70.4	-168.7	177.7	-164.4	-0.1	109.6
183	K	31.8	Very low	30	Very low	196 Å²	196	158.6 Å²	158.6	85%	0.852	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.1	150.7	-169.1	-65.5	176.7	176.2	176.6	0	113.1
184	R	29.1	Very low	30.2	Very low	250 Å²	250	157.4 Å²	157.4	94%	0.943	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.9	145.6	140.5	-79.1	-169.8	-179	179.2	2.9	108.7
185	K	28.8	Very low	30.4	Very low	165 Å²	165	155.8 Å²	155.8	72%	0.717	79%	0.79	S	S	*	*			trans	-112.2	115	-176.8	-164.8	-177.2	-172	-169.6	0	108.6	Y187	K185-Y187 HydrophobicContact CD-CE2 3.94Å; K185-Y187 WeakPolarHBondContact CE-OH 3.44Å; K185-Y187 HydrophobicContact CG-CE2 4.15Å; K185-Y187 PolarHBondContact NZ-OH 3.39Å
186	S	25.2	Very low	30.2	Very low	115 Å²	115	156.5 Å²	156.5	80%	0.804	79%	0.786	S	S	*	*			trans	-115.5	125.6	173.4	49.1	0	0	0	0	109
187	Y	25.6	Very low	29.7	Very low	186 Å²	186	159.4 Å²	159.4	73%	0.729	79%	0.788	S	S	*	*			trans	-89.6	132.4	175.5	-71.9	-105.8	0	0	0	109.3	K185	K185-Y187 HydrophobicContact CD-CE2 3.94Å; K185-Y187 WeakPolarHBondContact CE-OH 3.44Å; K185-Y187 HydrophobicContact CG-CE2 4.15Å; K185-Y187 PolarHBondContact NZ-OH 3.39Å
188	I	30.3	Very low	29.7	Very low	165 Å²	165	159.4 Å²	159.4	85%	0.846	79%	0.788	S	S	*	*			trans	-130.6	140.8	156.8	-65.2	-176.3	0	0	0	106.4
189	V	28.2	Very low	29.5	Very low	133 Å²	133	154.9 Å²	154.9	81%	0.806	78%	0.781	S	S	*	*			trans	-79.6	144.9	-175.3	172.7	0	0	0	0	110.5
190	M	26.3	Very low	29.4	Very low	164 Å²	164	153.9 Å²	153.9	81%	0.808	78%	0.784	S	S	*	*			trans	-96.1	141.1	164.6	-74.8	-166.9	71	0	0	111.1
191	S	29.4	Very low	29.6	Very low	114 Å²	114	156.1 Å²	156.1	80%	0.797	78%	0.781	S	S	*	*			trans	-140.9	157.2	143.7	-84.4	0	0	0	0	108.4
192	P	46.8	Very low	29.3	Very low	101 Å²	101	152.1 Å²	152.1	66%	0.656	78%	0.778	S	S	*	*			trans	-125	-157.7	-145.2	38.1	-20.1	0	0	0	114.2
193	E	25.7	Very low	28.9	Very low	182 Å²	182	145.8 Å²	145.8	85%	0.85	77%	0.772	S	S	*	*			trans	83.7	146	171.8	-51.5	-171.5	138.5	0	0	117.1
194	S	30.6	Very low	28.6	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	77%	0.77	S	S	*	*			cis	-159.3	-161.9	-30.3	67.3	0	0	0	0	108.2
195	P	39.8	Very low	29.5	Very low	110 Å²	110	135.3 Å²	135.3	71%	0.714	76%	0.759	S	S	*	*				-124.8	-153.6	-128.5	39.7	-17.3	0	0	0	115.6
196	L	28.9	Very low	29.5	Very low	145 Å²	145	136 Å²	136	76%	0.759	77%	0.765	S	S	*	*			trans	110.1	118.5	173.8	-59.5	172.7	0	0	0	112.9
197	K	27.9	Very low	29.6	Very low	190 Å²	190	137 Å²	137	83%	0.826	77%	0.766	S	S	*	*				74.4	137.6	65.5	-80.4	-169.3	-179.9	179.4	0	113.2
198	C	22.3	Very low	29.5	Very low	111 Å²	111	136.3 Å²	136.3	75%	0.75	77%	0.774	S	S	*	*			cis	-165.6	130.8	-10.6	-159.8	0	0	0	0	112.2
199	N	22.9	Very low	29.4	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	77%	0.77	S	S	*	*			trans	41.4	132.3	139.4	-145.5	44.6	0	0	0	123.7
200	T	26.8	Very low	30.3	Very low	102 Å²	102	133.5 Å²	133.5	63%	0.626	76%	0.761	S	S	*	*			trans	68.6	155.5	147.9	49.2	0	0	0	0	120.3
201	Q	30.2	Very low	30.3	Very low	166 Å²	166	130.3 Å²	130.3	78%	0.776	76%	0.755	S	S	*	*			cis	-157.7	159	3.4	-126.9	174.1	87.1	0	0	114.1
202	T	25.6	Very low	30.2	Very low	113 Å²	113	131.6 Å²	131.6	69%	0.693	76%	0.758	S	S	*	*			trans	38	121.4	146.2	-41.8	0	0	0	0	123.2
203	S	24.4	Very low	29.2	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	77%	0.766	S	S	*	*				-178.5	150.3	117	37.8	0	0	0	0	114.3
204	S	25.4	Very low	29.3	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	77%	0.766	S	S	*	*			trans	-117.3	-168.8	174.1	-46.5	0	0	0	0	107.9
205	P	48.5	Very low	29.9	Very low	111 Å²	111	134 Å²	134	72%	0.721	76%	0.763	S	S	*	*			cis	-145.6	-164.3	5.5	32.3	-5.3	0	0	0	116.6
206	Q	28.1	Very low	29.3	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	76%	0.763	S	S	*	*			trans	103.9	161.8	155.1	-52.5	-149.7	-13.1	0	0	118.9
207	V	27.8	Very low	29.2	Very low	135 Å²	135	133.6 Å²	133.6	82%	0.818	76%	0.757	S	S	*	*			trans	-150.2	144.7	-144.4	169.9	0	0	0	0	110.1
208	L	23.7	Very low	29.3	Very low	172 Å²	172	134.7 Å²	134.7	90%	0.901	76%	0.756	S	S	*	*			trans	-164.6	166.1	148.7	-107.5	160.3	0	0	0	112.1
209	N	27.4	Very low	29.4	Very low	143 Å²	143	136 Å²	136	77%	0.765	76%	0.756	S	S	*	*			trans	-151.1	-178.7	-172.7	-140.4	-2.8	0	0	0	106.1
210	P	47	Very low	29.7	Very low	97 Å²	97	138.7 Å²	138.7	63%	0.63	76%	0.764	S	S	*	*			cis	-141.5	-166.9	-11.4	39.4	-17.8	0	0	0	115.5
211	S	28.1	Very low	30.3	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	77%	0.769	S	S	*	*			trans	87.3	129.5	139.4	-69	0	0	0	0	125.7
212	T	26.3	Very low	30.2	Very low	141 Å²	141	136.8 Å²	136.8	87%	0.865	77%	0.766	S	S	*	*			trans	66.7	151.9	143.7	54.8	0	0	0	0	119.9
213	S	25	Very low	30.1	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	77%	0.769	S	S	*	*			cis	-153.3	176.4	20.9	60	0	0	0	0	115.4
214	Y	27.8	Very low	30.3	Very low	221 Å²	221	137.9 Å²	137.9	87%	0.867	77%	0.767	S	S	*	*			trans	-88.7	176.2	170.5	-103.2	-77.8	0	0	0	111.6
215	P	44.5	Very low	30.5	Very low	106 Å²	106	138.4 Å²	138.4	69%	0.688	77%	0.77	S	S	*	*				-157.4	-176.9	52.7	41.3	-16.3	0	0	0	121.2
216	E	27.5	Very low	29.7	Very low	155 Å²	155	141.7 Å²	141.7	72%	0.724	78%	0.781	S	S	*	*			trans	111.2	104.1	132.7	-134.9	42.6	-105.6	0	0	123.9
217	S	26.9	Very low	29.6	Very low	91 Å²	91	137.1 Å²	137.1	64%	0.636	77%	0.774	S	S	*	*			trans	69.8	106.4	136.8	-91.6	0	0	0	0	126.4
218	R	29.2	Very low	29.6	Very low	213 Å²	213	140 Å²	140	80%	0.804	78%	0.776	S	S	*	*				121.7	137.8	91.8	-149.4	-171.5	173.5	153.6	3.6	120.2
219	N	25.4	Very low	30	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	77%	0.768	S	S	*	*			trans	84.8	144.3	159.3	-72	-16.9	0	0	0	121
220	Q	27.5	Very low	29.9	Very low	187 Å²	187	141.1 Å²	141.1	87%	0.874	77%	0.772	S	S	*	*			trans	-111	-171.3	179.8	-73	-173.7	-26.8	0	0	109.6
221	P	39.3	Very low	29.3	Very low	111 Å²	111	142.5 Å²	142.5	72%	0.721	78%	0.779	S	S	*	*			cis	-141.5	-165.2	8.4	31.1	-4.3	0	0	0	117.2
222	V	28.2	Very low	29.3	Very low	117 Å²	117	145.6 Å²	145.6	71%	0.709	78%	0.781	S	S	*	*			trans	102.1	102	154.9	-167.9	0	0	0	0	118.8
223	D	24.5	Very low	29.6	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	78%	0.778	S	S	*	*			trans	48.3	139.4	137.6	-57.6	-20.1	0	0	0	125.9
224	S	27.6	Very low	29.9	Very low	110 Å²	110	148 Å²	148	77%	0.769	78%	0.778	S	S	*	*			trans	55.6	102.2	138.9	-63.8	0	0	0	0	120.6
225	S	29.8	Very low	30.1	Very low	124 Å²	124	141.5 Å²	141.5	87%	0.867	78%	0.778	S	S	*	*				-167.2	145.3	102	-80.8	0	0	0	0	112.3
226	L	32.4	Very low	29.6	Very low	180 Å²	180	143.3 Å²	143.3	94%	0.942	78%	0.78	S	S	*	*			trans	-81.5	132.8	178.4	-68.2	168.4	0	0	0	111.1
227	A	26.7	Very low	29.6	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	78%	0.781	S	S	*	*			trans	-86.9	129	166.8	0	0	0	0	0	110.4
228	F	27.4	Very low	29.8	Very low	195 Å²	195	147.6 Å²	147.6	86%	0.855	79%	0.786	S	S	*	*			trans	-165.9	115.2	143.4	-92.9	-58	0	0	0	110.7
229	P	32.6	Very low	29.8	Very low	112 Å²	112	147.5 Å²	147.5	73%	0.727	79%	0.786	S	S	*	*			trans	-83.1	125	169.1	31.9	-30.5	0	0	0	110.6
230	W	24	Very low	29.9	Very low	227 Å²	227	148 Å²	148	86%	0.86	79%	0.788	S	S	*	*			trans	-83.4	124.5	163.8	-82.8	71	0	0	0	109.6	F232	W230-F232 HydrophobicContact CE3-CE2 4.5Å
231	T	34.7	Very low	29.9	Very low	125 Å²	125	148 Å²	148	77%	0.767	79%	0.788	S	S	*	*			trans	-124.1	115.4	172.9	44.7	0	0	0	0	110.6
232	F	29.1	Very low	29.3	Very low	161 Å²	161	148.5 Å²	148.5	71%	0.706	79%	0.794	S	S	*	*			trans	-79.1	134.3	169.8	-83.2	-93	0	0	0	110.2	W230 F234	W230-F232 HydrophobicContact CE3-CE2 4.5Å; F232-F234 PolarHBondContact O-N 3.26Å
233	P	32.3	Very low	29.1	Very low	126 Å²	126	151.8 Å²	151.8	82%	0.818	80%	0.802	S	S	*	*			trans	-82.7	79.8	178	33.7	-35	0	0	0	111.6
234	F	31.1	Very low	29.2	Very low	181 Å²	181	154.6 Å²	154.6	79%	0.794	81%	0.807	S	S	*	*			trans	-98.6	107.1	157.9	-81.4	-74.6	0	0	0	109.6	F232 I236	F232-F234 PolarHBondContact O-N 3.26Å; F234-I236 PolarHBondContact O-N 3.37Å
235	G	31	Very low	29.2	Very low	85 Å²	85	156 Å²	156	88%	0.876	81%	0.811	S	S	*	*			trans	-70	108.3	176.6	0	0	0	0	0	111.2
236	I	34.7	Very low	29.2	Very low	144 Å²	144	159 Å²	159	74%	0.738	81%	0.808	S	S	*	*			trans	-87.9	131	165.7	-59.2	167.1	0	0	0	107.6	F234 R238	F234-I236 PolarHBondContact O-N 3.37Å; I236-R238 HydrophobicContact CG2-CG 3.97Å
237	D	27.6	Very low	28.8	Very low	138 Å²	138	158.3 Å²	158.3	74%	0.738	80%	0.8	S	S	*	*			trans	-111.8	142.4	145.3	-165.9	2.4	0	0	0	108.4	R239	D237-R239 IonicContact OD1-NH2 3.99Å; D237-R239 IonicContact OD2-NH2 2.59Å
238	R	31.4	Very low	28.8	Very low	198 Å²	198	161.1 Å²	161.1	75%	0.747	81%	0.808	S	S	*	*			trans	-100.3	146	-174.1	-72.3	179.9	168.7	-172.5	-3	110.5	I236	I236-R238 HydrophobicContact CG2-CG 3.97Å
239	R	27.9	Very low	28.7	Very low	211 Å²	211	160.2 Å²	160.2	80%	0.796	81%	0.807	S	S	*	*			trans	-149.1	152.7	131.3	-123.5	140.6	-70.1	-154.2	4.6	112.8	D237	D237-R239 IonicContact OD1-NH2 3.99Å; D237-R239 IonicContact OD2-NH2 2.59Å
240	L	29.1	Very low	28.4	Very low	150 Å²	150	161.8 Å²	161.8	79%	0.785	81%	0.809	S	S	*	*			trans	-72.9	166.1	-176.2	-62.8	86.1	0	0	0	109.5
241	Q	26.5	Very low	28.5	Very low	187 Å²	187	156 Å²	156	87%	0.874	80%	0.804	S	S	*	*			cis	-139.7	168.3	31.4	-75.6	-179.9	-22.3	0	0	115.2
242	S	26.9	Very low	28.1	Very low	120 Å²	120	161 Å²	161	84%	0.839	81%	0.808	S	S	*	*			trans	-77.6	147.6	174.8	-41.6	0	0	0	0	112.1
243	E	23.2	Very low	27.9	Very low	187 Å²	187	159.8 Å²	159.8	87%	0.874	81%	0.814	S	S	*	*			trans	-125.1	128.7	152.5	-163	163.4	-140	0	0	108.9
244	K	27.3	Very low	27.7	Very low	200 Å²	200	160.9 Å²	160.9	87%	0.87	81%	0.812	S	S	*	*			trans	-121.6	83.2	-167.2	-149.1	-174.4	-170.8	-174.2	0	109.9	K246	K244-K246 PolarHBondContact O-N 3Å
245	V	27.7	Very low	27.4	Very low	140 Å²	140	159.8 Å²	159.8	85%	0.848	81%	0.809	S	S	*	*			trans	-75	106.8	175.3	-179.4	0	0	0	0	109.7
246	K	29	Very low	27.2	Very low	186 Å²	186	163.5 Å²	163.5	81%	0.809	81%	0.806	S	S	*	*			trans	-159.5	102.7	163.5	-158.3	-175.7	-173.4	-175.4	0	112.2	K244	K244-K246 PolarHBondContact O-N 3Å
247	Q	25.4	Very low	27.6	Very low	166 Å²	166	162.6 Å²	162.6	78%	0.776	81%	0.809	S	S	*	*				178.8	139.9	116.1	-99.1	179	-80.8	0	0	111.9
248	V	27	Very low	27.5	Very low	144 Å²	144	159.4 Å²	159.4	87%	0.873	81%	0.809	S	S	*	*			trans	-93.5	118.7	147.3	168.9	0	0	0	0	106
249	E	24	Very low	28.4	Very low	177 Å²	177	155.8 Å²	155.8	83%	0.827	81%	0.812	S	S	*	*			trans	-164.7	158.9	136.6	-154.8	148.4	-154.6	0	0	108.9
250	N	25.9	Very low	28.3	Very low	144 Å²	144	151.1 Å²	151.1	77%	0.77	81%	0.811	S	S	*	*			trans	-144.7	118.5	-168.1	179.4	10.8	0	0	0	112.4
251	S	26.3	Very low	28.1	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	81%	0.812	S	S	*	*			trans	-165.9	113.1	157.1	-87.2	0	0	0	0	113.9
252	R	27.4	Very low	28.1	Very low	230 Å²	230	148.1 Å²	148.1	87%	0.868	80%	0.804	S	S	*	*			trans	25.4	125.8	136.6	-55.3	170.3	180	163.4	-0.8	117.2
253	T	25.1	Very low	28.1	Very low	135 Å²	135	149 Å²	149	83%	0.828	80%	0.799	S	S	*	*				-158.4	159.9	80.4	30.1	0	0	0	0	116.2
254	L	27.4	Very low	28.5	Very low	148 Å²	148	149.2 Å²	149.2	78%	0.775	79%	0.792	S	S	*	*			trans	-19.4	132.7	163.8	-66.7	149.7	0	0	0	118.7
255	E	24.6	Very low	28.8	Very low	158 Å²	158	148.4 Å²	148.4	74%	0.738	78%	0.784	S	S	*	*				-178.4	160.4	98.5	-89.7	-65.2	79.9	0	0	111.9
256	M	26.4	Very low	29	Very low	163 Å²	163	148.5 Å²	148.5	80%	0.803	78%	0.778	S	S	*	*			trans	-157.2	169.4	179.1	-85.4	-71.5	105	0	0	108.4
257	P	42.7	Very low	28.9	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	77%	0.771	S	S	*	*			cis	-126.5	-168.5	-11.6	38.6	-21.1	0	0	0	112.4
258	G	25.7	Very low	28.9	Very low	71 Å²	71	144.7 Å²	144.7	73%	0.732	78%	0.776	S	S	*	*			trans	174.9	118.6	166.1	0	0	0	0	0	114.8
259	P	50.6	Low	29	Very low	123 Å²	123	147.7 Å²	147.7	80%	0.799	77%	0.773	S	S	*	*			trans	-111.9	-166.3	-171.4	42.6	-35.8	0	0	0	114.5
260	S	26.5	Very low	29.1	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	76%	0.764	S	S	*	*			trans	102	147.7	170	79.1	0	0	0	0	116.2
261	E	25	Very low	29.1	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	76%	0.76	S	S	*	*			cis	-161.5	167	-26.8	-111.7	-144.8	129.5	0	0	110
262	S	26.1	Very low	29	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	76%	0.755	S	S	*	*			trans	57.2	114.7	157.7	66.9	0	0	0	0	119.1
263	N	26.3	Very low	28.9	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	75%	0.751	S	S	*	*				63.7	110.1	55.5	-169.9	-5.6	0	0	0	113.8
264	R	32.5	Very low	28.9	Very low	192 Å²	192	137.2 Å²	137.2	73%	0.725	74%	0.742	S	S	*	*				-176.8	122.1	125	-97.9	167.4	-170.8	-150.8	3.8	113.4
265	R	33.4	Very low	28.7	Very low	183 Å²	183	137 Å²	137	69%	0.691	75%	0.747	S	S	*	*				64.3	152.7	123.9	-64.2	177.3	-172.1	-167.4	0.4	118.5
266	I	31.2	Very low	28.9	Very low	143 Å²	143	139 Å²	139	73%	0.733	75%	0.753	S	S	*	*			cis	-154	172	-2.2	-118.9	161.1	0	0	0	107.2
267	T	27.2	Very low	28.7	Very low	108 Å²	108	136 Å²	136	66%	0.663	75%	0.754	S	S	*	*				173.5	125	-54.3	-75.6	0	0	0	0	105.6
268	D	26.4	Very low	27.9	Very low	163 Å²	163	135.8 Å²	135.8	87%	0.872	76%	0.756	S	S	*	*			trans	-123.7	164.1	173	-101.2	-46.6	0	0	0	112.9
269	Y	27.7	Very low	27.9	Very low	208 Å²	208	137.1 Å²	137.1	82%	0.816	75%	0.754	S	S	*	*			trans	-97	126.9	-134.6	-128.9	-116	0	0	0	118.1
270	V	27	Very low	27.7	Very low	104 Å²	104	135.8 Å²	135.8	63%	0.63	75%	0.746	S	S	*	*				39	90.2	126.8	-169.6	0	0	0	0	120.2
271	T	25.3	Very low	27.7	Very low	114 Å²	114	138 Å²	138	70%	0.699	75%	0.748	S	S	*	*				15.2	147.5	115.1	59.1	0	0	0	0	125
272	C	23.8	Very low	27.7	Very low	94 Å²	94	134.8 Å²	134.8	64%	0.635	74%	0.74	S	S	*	*			trans	92.3	129.6	133.2	-80.4	0	0	0	0	123.7
273	E	26	Very low	27.8	Very low	170 Å²	170	136.5 Å²	136.5	79%	0.794	74%	0.74	S	S	*	*				43.4	157.3	121.8	-51.6	179.3	102.1	0	0	120.8
274	S	25	Very low	28	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	74%	0.735	S	S	*	*			cis	-169	161.7	27.9	-161	0	0	0	0	110.9
275	T	24.2	Very low	28	Very low	144 Å²	144	135.3 Å²	135.3	88%	0.883	74%	0.738	S	S	*	*				176.4	148.6	111.7	32.3	0	0	0	0	115.5
276	K	27.2	Very low	27.8	Very low	198 Å²	198	132.5 Å²	132.5	86%	0.861	74%	0.737	S	S	*	*			trans	-59.3	147.5	-179	-79.8	172.3	168.8	174.9	0	118.8
277	A	23.8	Very low	27.8	Very low	100 Å²	100	130.3 Å²	130.3	83%	0.826	73%	0.73	S	S	*	*				81.5	166.2	124.8	0	0	0	0	0	123
278	S	24.5	Very low	27.8	Very low	121 Å²	121	135.1 Å²	135.1	85%	0.846	74%	0.736	S	S	*	*			trans	84.6	127.2	172.8	-144.7	0	0	0	0	118.5
279	S	26	Very low	27.8	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	73%	0.732	S	S	*	*			trans	-92.5	-168	154	63	0	0	0	0	108.5
280	P	47.2	Very low	27.7	Very low	95 Å²	95	130.4 Å²	130.4	62%	0.617	72%	0.722	S	S	*	*			cis	-133.3	-162.9	-7.1	25.6	0.6	0	0	0	113.1
281	L	25.9	Very low	28.6	Very low	157 Å²	157	132.4 Å²	132.4	82%	0.822	73%	0.734	S	S	*	*			trans	75.6	152.7	160.8	-47.3	-177.4	0	0	0	115.3
282	V	24.2	Very low	28.8	Very low	107 Å²	107	131.4 Å²	131.4	65%	0.648	72%	0.722	S	S	*	*			cis	-173.4	161.6	-4.5	120	0	0	0	0	109.3
283	I	29	Very low	28.8	Very low	136 Å²	136	135.6 Å²	135.6	70%	0.697	72%	0.724	S	S	*	*			trans	68.2	137.5	164.5	-81.9	163.6	0	0	0	116.6
284	E	30	Very low	28.8	Very low	139 Å²	139	134.8 Å²	134.8	65%	0.65	72%	0.724	S	S	*	*			cis	-152.8	142.5	-9.1	-120.8	154.8	-153.3	0	0	110.3
285	E	32.3	Very low	28.9	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	72%	0.724	S	S	*	*				50.3	154.7	128.3	-65.5	-175.9	164.8	0	0	122.3
286	D	30.7	Very low	29.1	Very low	124 Å²	124	135 Å²	135	66%	0.663	72%	0.72	S	S	*	*			cis	-149.7	158.5	21.3	-158.6	10.6	0	0	0	116
287	V	30.6	Very low	29.2	Very low	97 Å²	97	133.8 Å²	133.8	59%	0.588	72%	0.718	S	S	*	*			trans	53.9	135.2	149.6	153.1	0	0	0	0	121
288	R	27.1	Very low	29.5	Very low	210 Å²	210	136.9 Å²	136.9	79%	0.792	72%	0.715	S	S	*	*			cis	-158.2	141.2	-17.4	-98.6	175	-168.7	-170.5	3.7	105.6
289	V	26.6	Very low	29.7	Very low	130 Å²	130	135.8 Å²	135.8	79%	0.788	70%	0.703	S	S	*	*				59	124.5	67.3	-176.4	0	0	0	0	111.2
290	K	25.1	Very low	29.7	Very low	142 Å²	142	137.9 Å²	137.9	62%	0.617	70%	0.701	S	S	*	*			cis	-150	153.4	30.9	-153.6	176.4	-173.3	-170.4	0	112.5	E292	K290-E292 HydrophobicContact CD-CB 4.42Å; K290-E292 VanDerWaalsContact CE-CD 3.45Å; K290-E292 VanDerWaalsContact CE-OE2 3.29Å; K290-E292 WeakPolarHBondContact CE-OE2 3.49Å; K290-E292 IonicContact NZ-OE1 3.93Å; K290-E292 PolarHBondContact NZ-OE1 3.32Å; K290-E292 IonicContact NZ-OE2 4Å; K290-E292 PolarHBondContact NZ-OE2 2.82Å
291	V	46.8	Very low	28.8	Very low	145 Å²	145	140.1 Å²	140.1	88%	0.879	70%	0.703	S	S	*	*			trans	-113.6	139.6	155.7	177.2	0	0	0	0	107.1
292	E	28.6	Very low	28.9	Very low	94 Å²	94	139.2 Å²	139.2	44%	0.439	70%	0.695	S	S	.	*			trans	-158.9	148.7	176.9	-146	-178.3	-173.7	0	0	114.1	K290	K290-E292 HydrophobicContact CD-CB 4.42Å; K290-E292 VanDerWaalsContact CE-CD 3.45Å; K290-E292 VanDerWaalsContact CE-OE2 3.29Å; K290-E292 WeakPolarHBondContact CE-OE2 3.49Å; K290-E292 IonicContact NZ-OE1 3.93Å; K290-E292 PolarHBondContact NZ-OE1 3.32Å; K290-E292 IonicContact NZ-OE2 4Å; K290-E292 PolarHBondContact NZ-OE2 2.82Å
293	R	25.1	Very low	29	Very low	182 Å²	182	139.4 Å²	139.4	69%	0.687	70%	0.696	S	S	*	*			trans	73.8	118.4	173.9	-56.3	-170.6	172.9	59.9	30	115.8
294	L	25.7	Very low	28.8	Very low	152 Å²	152	137.4 Å²	137.4	80%	0.796	70%	0.695	S	S	*	*			cis	99.1	142.4	22.6	-65.6	166.9	0	0	0	115.1
295	S	26.9	Very low	28.9	Very low	89 Å²	89	139.7 Å²	139.7	62%	0.622	71%	0.705	S	S	*	*			trans	70.4	104	140.2	61.6	0	0	0	0	121.9
296	D	27.7	Very low	30.1	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	70%	0.703	S	S	*	*				73.1	167.4	106.5	-52.6	-42.9	0	0	0	123.1
297	E	29.1	Very low	29.9	Very low	172 Å²	172	138 Å²	138	80%	0.804	71%	0.712	S	S	*	*			trans	87.2	94.4	155.7	-79.1	175.2	179.9	0	0	122.5
298	E	29.9	Very low	29.9	Very low	164 Å²	164	138.1 Å²	138.1	77%	0.766	72%	0.717	S	S	*	*				90.2	164	103.9	-116.3	-160.4	147.5	0	0	124.7
299	V	29.1	Very low	30	Very low	98 Å²	98	132.7 Å²	132.7	59%	0.594	72%	0.717	S	S	*	*			trans	89.8	108.1	144.8	157.1	0	0	0	0	121.8
300	H	25.6	Very low	30.2	Very low	144 Å²	144	130.7 Å²	130.7	67%	0.667	71%	0.709	S	S	*	*			trans	74.4	156.3	133.8	-75.4	39	0	0	0	120.7
301	E	28.5	Very low	30.5	Very low	142 Å²	142	132.4 Å²	132.4	66%	0.664	72%	0.72	S	S	*	*			cis	-168	176.7	-20.9	-120.3	-172.7	161.7	0	0	110.9
302	E	28.2	Very low	29.6	Very low	139 Å²	139	130.4 Å²	130.4	65%	0.65	71%	0.712	S	S	*	*			trans	58.4	102.6	143.1	-71.7	-71	97.6	0	0	123.8
303	V	25.7	Very low	29.7	Very low	110 Å²	110	130.9 Å²	130.9	67%	0.667	73%	0.726	S	S	*	*				74.9	141.5	104	160.3	0	0	0	0	124.7
304	S	26.2	Very low	30.2	Very low	95 Å²	95	129.6 Å²	129.6	66%	0.664	73%	0.731	S	S	*	*			trans	82.6	98.6	152.7	-81.5	0	0	0	0	125.3
305	Q	30.8	Very low	30.5	Very low	186 Å²	186	126.7 Å²	126.7	87%	0.869	72%	0.724	S	S	*	*				73.5	155.1	114.7	-71.2	-166.4	-0	0	0	124.1
306	P	58.4	Low	30.6	Very low	113 Å²	113	128.5 Å²	128.5	73%	0.734	73%	0.727	S	S	*	*			trans	-122.8	160	-171.4	42.6	-28.4	0	0	0	116.7
307	V	26.2	Very low	30.9	Very low	142 Å²	142	128.6 Å²	128.6	86%	0.861	72%	0.722	S	S	*	*			trans	-155.3	147.4	175	175.2	0	0	0	0	109.1
308	S	31.1	Very low	31	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	72%	0.719	S	S	*	*			cis	-172.3	142	-29.2	-88.2	0	0	0	0	111
309	A	28.9	Very low	31	Very low	96 Å²	96	126 Å²	126	79%	0.793	72%	0.718	S	S	*	*			trans	59.4	176.7	150.9	0	0	0	0	0	118.2
310	S	30.2	Very low	31.1	Very low	88 Å²	88	127.6 Å²	127.6	62%	0.615	73%	0.728	S	S	*	*			cis	-154.7	165.3	7.2	-37.7	0	0	0	0	113.2
311	Q	31.5	Very low	31.8	Very low	179 Å²	179	126.6 Å²	126.6	84%	0.836	74%	0.735	S	S	*	*			trans	68.6	157.3	144.7	-73.8	164.9	65.7	0	0	120.4
312	S	29.1	Very low	31.7	Very low	103 Å²	103	123 Å²	123	72%	0.72	74%	0.736	S	S	*	*			cis	-177.3	173.2	-37.3	51.5	0	0	0	0	111.3
313	S	30.5	Very low	31.8	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	74%	0.741	S	S	*	*			trans	94.2	124.2	179.1	-149.7	0	0	0	0	113.9
314	L	35.3	Very low	31.9	Very low	154 Å²	154	124.9 Å²	124.9	81%	0.806	75%	0.749	S	S	*	*			cis	73.8	121.8	39.8	-56.6	176.6	0	0	0	112.1
315	S	32.3	Very low	32	Very low	91 Å²	91	129.1 Å²	129.1	64%	0.636	76%	0.759	S	S	*	*			cis	-150	-150.1	0	-64.7	0	0	0	0	110.2
316	D	29.5	Very low	31.8	Very low	127 Å²	127	126.1 Å²	126.1	68%	0.679	75%	0.753	S	S	*	*			cis	-164.7	-171.5	8.1	-135	-47.1	0	0	0	115.3
317	Q	33.5	Very low	30.2	Very low	154 Å²	154	128.4 Å²	128.4	72%	0.72	75%	0.753	S	S	*	*			trans	-48.4	168.7	175.9	-76.1	160.4	86	0	0	119.3
318	Q	31	Very low	30.3	Very low	158 Å²	158	130 Å²	130	74%	0.738	75%	0.752	S	S	*	*			cis	176.7	165.8	-18.4	-177.7	172.3	15.5	0	0	110.5
319	T	29.5	Very low	30	Very low	123 Å²	123	131.7 Å²	131.7	76%	0.755	75%	0.753	S	S	*	*			trans	115.4	144.5	151.5	-48.4	0	0	0	0	118.9
320	V	31.7	Very low	30	Very low	132 Å²	132	135.3 Å²	135.3	80%	0.8	76%	0.758	S	S	*	*			trans	-150.9	139.3	-173.2	163.6	0	0	0	0	107.6
321	P	39.8	Very low	29.9	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	77%	0.766	S	S	*	*				-162	162.3	112.1	40.2	-20.3	0	0	0	119.7
322	G	26.9	Very low	29.7	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	77%	0.766	S	S	*	*				123.2	119.6	123.3	0	0	0	0	0	121.7
323	S	30.4	Very low	29.6	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	77%	0.768	S	S	*	*			trans	45.7	122	143.9	49.1	0	0	0	0	121.1
324	E	27.4	Very low	30	Very low	181 Å²	181	137.4 Å²	137.4	85%	0.846	76%	0.763	S	S	*	*				72.7	113	66.4	-71.7	-169.9	139.1	0	0	116.4
325	Q	27.3	Very low	29.5	Very low	184 Å²	184	138 Å²	138	86%	0.86	76%	0.762	S	S	*	*				170.8	119	122.1	-93.6	177.3	3.2	0	0	115.8
326	V	27	Very low	29.2	Very low	123 Å²	123	138 Å²	138	75%	0.745	76%	0.762	S	S	*	*				42.4	108.9	118.7	-177.6	0	0	0	0	120.9
327	Q	24.8	Very low	29.1	Very low	160 Å²	160	136.8 Å²	136.8	75%	0.748	76%	0.763	S	S	*	*				56	128.4	123.6	-158	175.4	-35.5	0	0	122.2
328	E	27.6	Very low	28.9	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	76%	0.763	S	S	*	*				-175.1	167.2	109.5	-97.9	-171.5	175.5	0	0	114
329	D	25.7	Very low	28.8	Very low	134 Å²	134	134.4 Å²	134.4	72%	0.717	77%	0.766	S	S	*	*			trans	-72.7	162.2	-168.7	-65	-82	0	0	0	115.9
330	L	29.6	Very low	28.7	Very low	171 Å²	171	131.5 Å²	131.5	90%	0.895	76%	0.761	S	S	*	*				-170.6	168.2	108.1	-97.9	168.9	0	0	0	113.9
331	L	27.9	Very low	28.5	Very low	152 Å²	152	131.2 Å²	131.2	80%	0.796	77%	0.765	S	S	*	*			trans	-97.2	-177.6	-159.8	-67.2	164.7	0	0	0	114.8
332	I	27.6	Very low	28.1	Very low	161 Å²	161	132.5 Å²	132.5	83%	0.826	76%	0.764	S	S	*	*			trans	105.6	87.2	159	-52.6	162.5	0	0	0	115.9
333	S	25.6	Very low	28.2	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	77%	0.766	S	S	*	*			trans	-74.9	162.4	132	-79.1	0	0	0	0	108.9
334	P	39.9	Very low	28.6	Very low	95 Å²	95	139.4 Å²	139.4	62%	0.617	77%	0.771	S	S	*	*			cis	-154.7	-168.3	44.9	34.6	-7.9	0	0	0	117.7
335	Q	24	Very low	28.9	Very low	168 Å²	168	134.3 Å²	134.3	79%	0.785	77%	0.767	S	S	*	*			trans	72.5	147.1	164.2	-44	-50.7	-15.4	0	0	117.2
336	S	25.7	Very low	29.1	Very low	90 Å²	90	132.2 Å²	132.2	63%	0.629	77%	0.766	S	S	*	*			cis	-171.7	173.2	-18	52.7	0	0	0	0	110.3
337	S	27.4	Very low	29.4	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	77%	0.77	S	S	*	*			trans	64.5	107.7	141.1	58.8	0	0	0	0	122.1
338	S	29.8	Very low	30	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	78%	0.779	S	S	*	*				94.7	147.8	108.8	-155.3	0	0	0	0	121.1
339	I	29.8	Very low	30.1	Very low	160 Å²	160	129.7 Å²	129.7	82%	0.821	78%	0.775	S	S	*	*			trans	57.7	122.3	163.2	-68.7	153.2	0	0	0	115.2
340	G	26.1	Very low	30.2	Very low	63 Å²	63	131.5 Å²	131.5	65%	0.649	78%	0.784	S	S	*	*			cis	109.1	113.8	22.3	0	0	0	0	0	109.9
341	S	29.2	Very low	30.2	Very low	126 Å²	126	129 Å²	129	88%	0.881	78%	0.778	S	S	*	*			trans	-156.5	150.8	171.3	-84.5	0	0	0	0	112.9
342	I	31.3	Very low	30.1	Very low	150 Å²	150	128 Å²	128	77%	0.769	78%	0.779	S	S	*	*			trans	-56.1	165.5	162.5	57.6	-179.9	0	0	0	111
343	D	28.7	Very low	30.5	Very low	136 Å²	136	128.8 Å²	128.8	73%	0.727	78%	0.783	S	S	*	*			cis	-161	-164.3	46.4	-156.8	-103.1	0	0	0	113.4
344	E	38.9	Very low	30.5	Very low	183 Å²	183	132 Å²	132	86%	0.855	79%	0.786	S	S	*	*			trans	-85.2	160.7	-170.7	-59.4	-170.8	111.6	0	0	114.5
345	G	33	Very low	29.8	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	80%	0.797	S	S	*	*			trans	-170.8	81.7	178.7	0	0	0	0	0	114.8
346	V	30.7	Very low	29.9	Very low	140 Å²	140	131.6 Å²	131.6	85%	0.848	80%	0.798	S	S	*	*			trans	-78.7	122.9	176.8	174.3	0	0	0	0	111.5
347	T	34.1	Very low	30.4	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	81%	0.813	S	S	*	*			trans	-142.5	141	155.2	48.6	0	0	0	0	109.9
348	E	36.6	Very low	30.5	Very low	199 Å²	199	131.7 Å²	131.7	93%	0.93	81%	0.808	S	S	*	*			trans	-92.7	141.8	173.2	-66.7	-170	133.3	0	0	111
349	G	30.3	Very low	30.7	Very low	72 Å²	72	134 Å²	134	74%	0.742	82%	0.819	S	S	*	*			trans	-162.5	137.2	174.4	0	0	0	0	0	111.2
350	L	27.6	Very low	30.9	Very low	172 Å²	172	131.1 Å²	131.1	90%	0.901	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.3	155.9	-177	-104.6	75	0	0	0	112.8
351	P	29.6	Very low	31.4	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-78.5	127.9	-167	30.7	-35.3	0	0	0	113.6
352	T	26.2	Very low	31.9	Very low	132 Å²	132	134.4 Å²	134.4	81%	0.81	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.6	129.2	163.7	-17	0	0	0	0	109.9	Q354	T352-Q354 PolarHBondContact O-N 2.84Å
353	L	35.8	Very low	32.1	Very low	176 Å²	176	128.8 Å²	128.8	92%	0.921	78%	0.781	S	S	*	*			trans	-72.6	116	171.7	-71.3	171.4	0	0	0	109.9
354	Q	25.8	Very low	32.8	Very low	178 Å²	178	127.2 Å²	127.2	83%	0.832	77%	0.773	S	S	*	*			trans	-137.2	108.5	169.9	-161.3	162.9	11.4	0	0	110	T352 T356	T352-Q354 PolarHBondContact O-N 2.84Å; Q354-T356 PolarHBondContact O-N 2.77Å
355	S	24.4	Very low	33.3	Very low	120 Å²	120	122 Å²	122	84%	0.839	75%	0.751	S	S	*	*			trans	-78.7	117.2	-176.1	-57.4	0	0	0	0	111.2
356	T	27.6	Very low	34.1	Very low	134 Å²	134	120.5 Å²	120.5	82%	0.822	73%	0.726	S	S	*	*			trans	-100.7	122	161.2	47.7	0	0	0	0	109.1	Q354 G358	Q354-T356 PolarHBondContact O-N 2.77Å; T356-G358 PolarHBondContact O-N 3.06Å
357	S	35.3	Very low	35.2	Very low	134 Å²	134	118.3 Å²	118.3	94%	0.937	71%	0.709	S	S	*	*			trans	-69.5	115.8	-176	-57.8	0	0	0	0	111.3
358	G	29.5	Very low	36.4	Very low	59 Å²	59	119.7 Å²	119.7	61%	0.608	70%	0.699	S	S	*	*			trans	-130.7	118.7	176.1	0	0	0	0	0	111.8	T356 N360	T356-G358 PolarHBondContact O-N 3.06Å; G358-N360 PolarHBondContact O-N 2.74Å
359	T	35.3	Very low	37.4	Very low	151 Å²	151	111 Å²	111	93%	0.926	66%	0.659	S	S	*	*			trans	-79	60.6	179.7	51.1	0	0	0	0	111.8
360	N	32.1	Very low	38.6	Very low	100 Å²	100	113 Å²	113	54%	0.535	65%	0.649	S	S	.	*			trans	-116.9	18.9	-166.1	-96.9	1.5	0	0	0	115.8	G358 H362 A363 D364	G358-N360 PolarHBondContact O-N 2.74Å; N360-H362 PolarHBondContact O-N 2.94Å; N360-A363 HydrophobicContact CB-CB 4.16Å; N360-A363 WeakPolarHBondContact O-CB 3.05Å; N360-A363 PolarHBondContact O-N 3.41Å; N360-D364 PolarHBondContact O-N 2.93Å
361	A	36.9	Very low	39.9	Very low	96 Å²	96	111.6 Å²	111.6	79%	0.793	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	0.3	-177.7	0	0	0	0	0	116.4
362	H	40	Very low	41.4	Very low	161 Å²	161	107 Å²	107	75%	0.745	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	-11.3	170.2	-151.9	-45.9	0	0	0	113.3	N360	N360-H362 PolarHBondContact O-N 2.94Å
363	A	36.8	Very low	42.5	Very low	32 Å²	32	109 Å²	109	26%	0.264	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	-45.6	173.4	0	0	0	0	0	111.3	N360 D365 D366 D367	N360-A363 HydrophobicContact CB-CB 4.16Å; N360-A363 WeakPolarHBondContact O-CB 3.05Å; N360-A363 PolarHBondContact O-N 3.41Å; A363-D365 PolarHBondContact O-N 2.86Å; A363-D366 WeakPolarHBondContact O-CA 3.38Å; A363-D366 PolarHBondContact O-N 3.24Å; A363-D367 PolarHBondContact O-N 2.85Å
364	D	43.3	Very low	43.4	Very low	104 Å²	104	102.2 Å²	102.2	56%	0.556	57%	0.574	S	S	*	*	H	α-helix	trans	-53.1	-30.5	-177.9	-67.8	-68.5	0	0	0	114.5	N360 R368	N360-D364 PolarHBondContact O-N 2.93Å; D364-R368 WeakPolarHBondContact O-CB 3.29Å; D364-R368 WeakPolarHBondContact O-CG 3.28Å; D364-R368 PolarHBondContact O-N 3.09Å
365	D	49	Very low	44.5	Very low	73 Å²	73	97.9 Å²	97.9	39%	0.39	56%	0.562	S	S	.	*	H	α-helix	trans	-83.7	-22.4	179.2	-120.9	-26.2	0	0	0	112.8	A363 L369 F427 A439	A363-D365 PolarHBondContact O-N 2.86Å; D365-L369 WeakPolarHBondContact O-CD1 3.48Å; D365-L369 WeakPolarHBondContact O-CG 3.25Å; D365-F427 WeakPolarHBondContact OD1-CE1 3.29Å; D365-A439 WeakPolarHBondContact OD1-CB 3.27Å; D365-A439 VanDerWaalsContact OD2-CB 3.3Å; D365-A439 WeakPolarHBondContact OD2-CB 3.47Å
366	D	50.3	Low	45.7	Very low	43 Å²	43	97 Å²	97	23%	0.23	54%	0.541	C	S	.	.	H	α-helix	trans	-89.8	-41	174	-125.2	-19.2	0	0	0	111	A363 R368 L369 E370 Q412	A363-D366 WeakPolarHBondContact O-CA 3.38Å; A363-D366 PolarHBondContact O-N 3.24Å; D366-R368 PolarHBondContact O-N 3.38Å; D366-L369 CarbonylContact O-C 3.57Å; D366-L369 WeakPolarHBondContact O-CA 3.39Å; D366-L369 WeakPolarHBondContact O-CB 3.37Å; D366-L369 PolarHBondContact O-N 3.45Å; D366-E370 PolarHBondContact O-N 3.44Å; D366-Q412 PolarHBondContact OD2-NE2 2.79Å
367	D	53	Low	46.8	Very low	94 Å²	94	99.4 Å²	99.4	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-55.1	-39.7	172	-85.9	-68.8	0	0	0	112.1	A363 L369 E370 N371	A363-D367 PolarHBondContact O-N 2.85Å; D367-L369 PolarHBondContact O-N 2.76Å; D367-E370 PolarHBondContact O-N 3.19Å; D367-N371 PolarHBondContact O-N 3.44Å; D367-N371 VanDerWaalsContact O-N 3.15Å
368	R	58.4	Low	47.6	Very low	164 Å²	164	96 Å²	96	62%	0.619	51%	0.514	S	S	*	.	H	α-helix	trans	-75.8	-6	174.8	-67.9	-175.7	74.8	100.7	7.6	114.2	D364 D366 V372	D364-R368 WeakPolarHBondContact O-CB 3.29Å; D364-R368 WeakPolarHBondContact O-CG 3.28Å; D364-R368 PolarHBondContact O-N 3.09Å; D366-R368 PolarHBondContact O-N 3.38Å; R368-V372 WeakPolarHBondContact O-CG2 3.46Å
369	L	58.7	Low	48.3	Very low	18 Å²	18	103.5 Å²	103.5	9%	0.094	53%	0.525	C	S	.	.	H	α-helix	trans	-101.3	-31.5	169.2	-73.2	170.5	0	0	0	112.2	D365 D366 D367 V372 Y374 L419 F427	D365-L369 WeakPolarHBondContact O-CD1 3.48Å; D365-L369 WeakPolarHBondContact O-CG 3.25Å; D366-L369 CarbonylContact O-C 3.57Å; D366-L369 WeakPolarHBondContact O-CA 3.39Å; D366-L369 WeakPolarHBondContact O-CB 3.37Å; D366-L369 PolarHBondContact O-N 3.45Å; D367-L369 PolarHBondContact O-N 2.76Å; L369-V372 PolarHBondContact O-N 3.05Å; L369-Y374 WeakPolarHBondContact O-CE2 3.48Å; L369-L419 HydrophobicContact CD2-CD1 3.92Å; L369-F427 HydrophobicContact CD2-CE2 4.49Å
370	E	56	Low	49.1	Very low	112 Å²	112	100.4 Å²	100.4	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-47.8	170.1	-70.5	-67.8	80.1	0	0	110.9	D366 D367 V372 K415	D366-E370 PolarHBondContact O-N 3.44Å; D367-E370 PolarHBondContact O-N 3.19Å; E370-V372 PolarHBondContact O-N 3.42Å; E370-V372 VanDerWaalsContact O-N 3.08Å; E370-K415 IonicContact OE1-NZ 3.86Å; E370-K415 PolarHBondContact OE1-NZ 3.39Å
371	N	53.7	Low	49.4	Very low	144 Å²	144	98.5 Å²	98.5	77%	0.77	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	6.7	-177.6	-71.8	-8.3	0	0	0	114.7	D367	D367-N371 PolarHBondContact O-N 3.44Å; D367-N371 VanDerWaalsContact O-N 3.15Å
372	V	60.3	Low	49.6	Very low	22 Å²	22	99 Å²	99	13%	0.133	50%	0.495	C	S	.	.	S	Bend	trans	-88.8	109.1	171.3	175.9	0	0	0	0	109	R368 L369 E370 Y374 L419 I424 P426	R368-V372 WeakPolarHBondContact O-CG2 3.46Å; L369-V372 PolarHBondContact O-N 3.05Å; E370-V372 PolarHBondContact O-N 3.42Å; E370-V372 VanDerWaalsContact O-N 3.08Å; V372-Y374 HydrophobicContact CB-CE2 4.17Å; V372-Y374 HydrophobicContact CG1-CE2 4.39Å; V372-Y374 WeakPolarHBondContact O-CD2 3.46Å; V372-Y374 WeakPolarHBondContact O-CE2 3.22Å; V372-Y374 PolarHBondContact O-N 2.89Å; V372-L419 HydrophobicContact CG1-CD2 4.3Å; V372-I424 HydrophobicContact CG1-CD1 4.41Å; V372-I424 HydrophobicContact CG1-CG2 3.94Å; V372-P426 HydrophobicContact CG2-CB 3.98Å; V372-P426 HydrophobicContact CG2-CG 4.34Å
373	Q	50.7	Low	49.7	Very low	174 Å²	174	94.1 Å²	94.1	81%	0.813	48%	0.479	S	S	*	.			trans	-62.1	97.6	173.3	-175.4	66.4	6.5	0	0	110.7
374	Y	54.4	Low	50	Low	33 Å²	33	99.1 Å²	99.1	13%	0.129	51%	0.507	C	S	.	.			trans	-71.4	124.7	176.9	-70.9	-89.2	0	0	0	109.8	L369 V372 Y376 L419	L369-Y374 WeakPolarHBondContact O-CE2 3.48Å; V372-Y374 HydrophobicContact CB-CE2 4.17Å; V372-Y374 HydrophobicContact CG1-CE2 4.39Å; V372-Y374 WeakPolarHBondContact O-CD2 3.46Å; V372-Y374 WeakPolarHBondContact O-CE2 3.22Å; V372-Y374 PolarHBondContact O-N 2.89Å; Y374-Y376 PolarHBondContact O-N 3.49Å; Y374-L419 HydrophobicContact CD1-CD2 4.44Å; Y374-L419 HydrophobicContact CE1-CD2 3.57Å; Y374-L419 HydrophobicContact CE1-CG 4.03Å
375	P	48.3	Very low	50	Low	87 Å²	87	99 Å²	99	57%	0.565	51%	0.514	S	S	*	.	S	Bend	trans	-74.2	12.8	-179.7	32.1	-37.5	0	0	0	113.7	I424	P375-I424 HydrophobicContact CG-CD1 4.36Å
376	Y	50.4	Low	49.5	Very low	101 Å²	101	99.7 Å²	99.7	40%	0.396	53%	0.525	S	S	.	.	S	Bend	trans	-124.1	112.8	178.5	-61.3	-62.6	0	0	0	108.6	Y374 L378 M418 S422	Y374-Y376 PolarHBondContact O-N 3.49Å; Y376-L378 PolarHBondContact O-N 2.93Å; Y376-M418 HydrophobicContact CD2-CE 3.61Å; Y376-M418 HydrophobicContact CE2-CE 4.09Å; Y376-M418 HydrophobicContact CG-CE 4.11Å; Y376-S422 WeakPolarHBondContact CE2-OG 3.33Å
377	Q	51	Low	49.3	Very low	185 Å²	185	105.1 Å²	105.1	86%	0.864	56%	0.559	S	S	*	*			trans	-55.6	109.4	169.3	-151.8	93.1	-2.7	0	0	107.8	Y379	Q377-Y379 VanDerWaalsContact C-N 3.25Å; Q377-Y379 PolarHBondContact O-N 3.39Å
378	L	51	Low	48.7	Very low	62 Å²	62	108.6 Å²	108.6	33%	0.325	57%	0.573	S	S	.	*			trans	-75.2	79.5	-175.8	-72.8	178.4	0	0	0	110.4	Y376 I380 K415	Y376-L378 PolarHBondContact O-N 2.93Å; L378-I380 HydrophobicContact CB-CD1 4.07Å; L378-I380 HydrophobicContact CB-CG1 4.16Å; L378-I380 PolarHBondContact O-N 3.03Å; L378-K415 HydrophobicContact CD1-CG 4.35Å
379	Y	44.6	Very low	47.8	Very low	218 Å²	218	111.9 Å²	111.9	86%	0.855	59%	0.585	S	S	*	*			trans	-72.7	75.1	173.6	-133.9	-82.6	0	0	0	109.8	Q377 A381	Q377-Y379 VanDerWaalsContact C-N 3.25Å; Q377-Y379 PolarHBondContact O-N 3.39Å; Y379-A381 PolarHBondContact O-N 2.81Å
380	I	51.6	Low	47	Very low	86 Å²	86	117 Å²	117	44%	0.441	62%	0.619	S	S	.	*			trans	-76.9	75	179.9	-57.6	150.7	0	0	0	107.9	L378 P382 I411	L378-I380 HydrophobicContact CB-CD1 4.07Å; L378-I380 HydrophobicContact CB-CG1 4.16Å; L378-I380 PolarHBondContact O-N 3.03Å; I380-P382 VanDerWaalsContact O-CD 3.31Å; I380-P382 WeakPolarHBondContact O-CD 3.4Å; I380-I411 HydrophobicContact CD1-CD1 3.68Å
381	A	38.9	Very low	46	Very low	60 Å²	60	116.2 Å²	116.2	50%	0.496	63%	0.626	S	S	.	*			trans	-69.2	118.5	166.5	0	0	0	0	0	108.6	Y379 S383	Y379-A381 PolarHBondContact O-N 2.81Å; A381-S383 PolarHBondContact O-N 2.77Å; A381-S383 PolarHBondContact O-OG 2.86Å
382	P	41.6	Very low	45.8	Very low	106 Å²	106	115.2 Å²	115.2	69%	0.688	63%	0.627	S	S	*	*			trans	-58.9	114.9	167.6	-17.8	31.8	0	0	0	107.3	I380 T384	I380-P382 VanDerWaalsContact O-CD 3.31Å; I380-P382 WeakPolarHBondContact O-CD 3.4Å; P382-T384 PolarHBondContact O-N 3.4Å
383	S	40.7	Very low	45.1	Very low	58 Å²	58	121.6 Å²	121.6	41%	0.406	66%	0.661	S	S	.	*			trans	-80.3	54.5	-170.4	-49.5	0	0	0	0	112.2	A381 S385	A381-S383 PolarHBondContact O-N 2.77Å; A381-S383 PolarHBondContact O-OG 2.86Å; S383-S385 PolarHBondContact O-N 2.82Å
384	T	44.3	Very low	44.8	Very low	138 Å²	138	116 Å²	116	85%	0.847	65%	0.65	S	S	*	*			trans	-77.2	45.6	172.4	57.7	0	0	0	0	111	P382	P382-T384 PolarHBondContact O-N 3.4Å
385	S	43.9	Very low	44.6	Very low	101 Å²	101	118.6 Å²	118.6	71%	0.706	67%	0.671	S	S	*	*			trans	-155.3	51.4	-172.2	52.4	0	0	0	0	111	S383	S383-S385 PolarHBondContact O-N 2.82Å
386	S	38.2	Very low	45.4	Very low	88 Å²	88	121.1 Å²	121.1	62%	0.615	68%	0.68	S	S	*	*			trans	-140.9	101.9	169.3	-65.4	0	0	0	0	108.8	E388	S386-E388 PolarHBondContact O-N 3.4Å
387	T	45.2	Very low	46.6	Very low	156 Å²	156	121.8 Å²	121.8	96%	0.957	68%	0.681	S	S	*	*			trans	-76.3	38.4	-179.7	26	0	0	0	0	113
388	E	39.9	Very low	47.7	Very low	167 Å²	167	116.2 Å²	116.2	78%	0.78	66%	0.661	S	S	*	*	S	Bend	trans	-99.7	138	171.7	-76.1	-64.6	151.7	0	0	109.1	S386	S386-E388 PolarHBondContact O-N 3.4Å
389	R	40.3	Very low	49.1	Very low	234 Å²	234	115.8 Å²	115.8	88%	0.883	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-68.9	134.3	-171.3	-58.6	-178.4	-170.6	-155.4	0.6	110.9	S391	R389-S391 PolarHBondContact O-N 2.89Å
390	P	41.2	Very low	50.8	Low	124 Å²	124	109.5 Å²	109.5	81%	0.805	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-55.7	123.8	166.8	-24.9	34.7	0	0	0	110.6
391	S	36.5	Very low	52.3	Low	96 Å²	96	105.4 Å²	105.4	67%	0.671	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-73.3	130.3	171.9	-178.2	0	0	0	0	108.9	R389 N393	R389-S391 PolarHBondContact O-N 2.89Å; S391-N393 PolarHBondContact O-N 3.35Å
392	P	48.6	Very low	54.1	Low	123 Å²	123	107.8 Å²	107.8	80%	0.799	63%	0.625	S	S	*	*	S	Bend	trans	-63.9	-6.3	-172.5	-25.4	34.9	0	0	0	116.6
393	N	46.4	Very low	55.7	Low	156 Å²	156	106.4 Å²	106.4	83%	0.834	61%	0.614	S	S	*	*	S	Bend	trans	-134.5	73	-173.1	-73.4	-56	0	0	0	111.6	S391	S391-N393 PolarHBondContact O-N 3.35Å
394	G	43.4	Very low	57.7	Low	56 Å²	56	106.5 Å²	106.5	58%	0.577	62%	0.615	S	S	*	*	S	Bend	trans	-164	136.7	170.9	0	0	0	0	0	112.2	D396	G394-D396 PolarHBondContact O-N 2.71Å
395	P	51	Low	59.2	Low	89 Å²	89	101.5 Å²	101.5	58%	0.578	59%	0.59	S	S	*	*			trans	-67.3	134.2	177.5	28	-34.1	0	0	0	110	R397	P395-R397 WeakPolarHBondContact O-CG 3.33Å; P395-R397 PolarHBondContact O-N 2.88Å
396	D	65.2	Low	60.9	Low	140 Å²	140	100 Å²	100	75%	0.749	58%	0.576	S	S	*	*			trans	-65.5	128.2	-172.6	-136.5	-33	0	0	0	111.5	G394 P398	G394-D396 PolarHBondContact O-N 2.71Å; D396-P398 WeakPolarHBondContact O-CD 3.31Å
397	R	74.6	Confident	63	Low	115 Å²	115	99.8 Å²	99.8	43%	0.434	56%	0.562	S	S	.	*			trans	-127.8	77.6	-171.7	-73.9	159.8	-178.5	-107.8	4.2	108.7	P395 F399 R407 F408 T409	P395-R397 WeakPolarHBondContact O-CG 3.33Å; P395-R397 PolarHBondContact O-N 2.88Å; R397-F399 VanDerWaalsContact C-N 3.31Å; R397-F399 PolarHBondContact O-N 2.73Å; R397-R407 HydrophobicContact CB-CB 3.65Å; R397-R407 WeakPolarHBondContact CD-O 3.31Å; R397-R407 PolarHBondContact NH1-O 2.92Å; R397-R407 VanDerWaalsContact O-CZ 3.28Å; R397-R407 PolarHBondContact O-NE 3.25Å; R397-R407 PolarHBondContact O-NH2 3.03Å; R397-F408 CarbonylContact C-O 3.54Å; R397-F408 VanDerWaalsContact CA-O 3.28Å; R397-F408 WeakPolarHBondContact CA-O 3.38Å; R397-T409 HydrophobicContact CG-CG2 3.77Å
398	P	74.5	Confident	64.7	Low	67 Å²	67	94 Å²	94	44%	0.435	52%	0.524	S	S	.	.			trans	-69.8	-28	-174.6	25.6	-33.1	0	0	0	112.8	D396 Q400 R407	D396-P398 WeakPolarHBondContact O-CD 3.31Å; P398-Q400 PolarHBondContact O-N 3.02Å; P398-R407 PolarHBondContact O-NH2 3.48Å
399	F	79.6	Confident	66.8	Low	54 Å²	54	89.2 Å²	89.2	24%	0.237	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.3	-174	-54.2	-73.3	0	0	0	111.7	R397 R407 F408 R410 I411 L414	R397-F399 VanDerWaalsContact C-N 3.31Å; R397-F399 PolarHBondContact O-N 2.73Å; F399-R407 CarbonylContact O-C 3.55Å; F399-R407 WeakPolarHBondContact O-CA 3.3Å; F399-F408 HydrophobicContact CB-CB 4.36Å; F399-F408 PolarHBondContact N-O 3.37Å; F399-F408 PolarHBondContact O-N 2.97Å; F399-R410 VanDerWaalsContact CD2-C 3.43Å; F399-I411 HydrophobicContact CD1-CB 4.04Å; F399-I411 HydrophobicContact CD1-CG1 4.34Å; F399-I411 HydrophobicContact CE1-CB 3.81Å; F399-I411 HydrophobicContact CE1-CD1 4.45Å; F399-I411 HydrophobicContact CE1-CG1 4.32Å; F399-I411 HydrophobicContact CE2-CB 4.35Å; F399-I411 HydrophobicContact CG-CB 4.42Å; F399-I411 HydrophobicContact CZ-CB 3.98Å; F399-L414 HydrophobicContact CB-CB 4.21Å; F399-L414 HydrophobicContact CB-CD2 3.93Å
400	Q	82.1	Confident	68.7	Low	85 Å²	85	85.8 Å²	85.8	40%	0.397	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	139	178.6	-171.9	161.2	20.8	0	0	112.4	P398 G405 R407	P398-Q400 PolarHBondContact O-N 3.02Å; Q400-G405 WeakPolarHBondContact CG-O 3.22Å; Q400-G405 PolarHBondContact NE2-O 3.16Å; Q400-R407 HydrophobicContact CB-CG 4.02Å; Q400-R407 HydrophobicContact CG-CG 3.84Å
401	C	82.1	Confident	70.6	Confident	1 Å²	1	82.9 Å²	82.9	1%	0.007	47%	0.47	C	S	.	.			trans	-75.8	123.3	170.7	175.5	0	0	0	0	110.8	T403 G405 V406 F408 L414 H421	C401-T403 VanDerWaalsContact C-N 3.29Å; C401-T403 PolarHBondContact O-N 2.9Å; C401-T403 PolarHBondContact SG-N 3.32Å; C401-G405 VanDerWaalsContact O-CA 3.29Å; C401-G405 WeakPolarHBondContact O-CA 3.4Å; C401-G405 PolarHBondContact O-N 3.08Å; C401-V406 PolarHBondContact N-O 2.84Å; C401-F408 HydrophobicContact CB-CE2 4.33Å; C401-L414 HydrophobicContact CB-CD1 3.79Å; C401-H421 PolarHBondContact SG-NE2 3.34Å; C401-H421 VanDerWaalsContact SG-NE2 3.4Å
402	P	77.1	Confident	72.7	Confident	110 Å²	110	82.1 Å²	82.1	71%	0.714	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.3	179.1	27.4	-34.8	0	0	0	112.8	M418	P402-M418 HydrophobicContact CG-CE 4.34Å
403	T	75.5	Confident	74.2	Confident	76 Å²	76	79.3 Å²	79.3	47%	0.466	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-25	-174.7	-41.5	0	0	0	0	113.9	C401 H421	C401-T403 VanDerWaalsContact C-N 3.29Å; C401-T403 PolarHBondContact O-N 2.9Å; C401-T403 PolarHBondContact SG-N 3.32Å; T403-H421 HydrophobicContact CG2-CB 4.19Å
404	C	81.4	Confident	76	Confident	61 Å²	61	72.4 Å²	72.4	41%	0.412	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.6	5.6	-175.4	71.6	0	0	0	0	115.7	V406 H417 H421	C404-V406 PolarHBondContact O-N 3.08Å; C404-V406 VanDerWaalsContact O-N 3.09Å; C404-H417 PolarHBondContact SG-NE2 3.43Å; C404-H421 PolarHBondContact SG-NE2 3.27Å
405	G	77.1	Confident	77.7	Confident	33 Å²	33	71.7 Å²	71.7	34%	0.34	38%	0.378	S	S	.	.			trans	71.6	-3.5	175.3	0	0	0	0	0	116.4	Q400 C401	Q400-G405 WeakPolarHBondContact CG-O 3.22Å; Q400-G405 PolarHBondContact NE2-O 3.16Å; C401-G405 VanDerWaalsContact O-CA 3.29Å; C401-G405 WeakPolarHBondContact O-CA 3.4Å; C401-G405 PolarHBondContact O-N 3.08Å
406	V	79.3	Confident	79.1	Confident	68 Å²	68	69.7 Å²	69.7	41%	0.412	36%	0.361	S	S	.	.			trans	-64.1	135.6	179.2	179	0	0	0	0	110.8	C401 C404 F408	C401-V406 PolarHBondContact N-O 2.84Å; C404-V406 PolarHBondContact O-N 3.08Å; C404-V406 VanDerWaalsContact O-N 3.09Å; V406-F408 HydrophobicContact CB-CE2 4.08Å; V406-F408 HydrophobicContact CB-CZ 4.14Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 HydrophobicContact CG1-CE2 3.75Å; V406-F408 HydrophobicContact CG1-CZ 3.46Å; V406-F408 VanDerWaalsContact CG1-CZ 3.46Å; V406-F408 WeakPolarHBondContact O-CE2 3.3Å
407	R	81.9	Confident	80	Confident	85 Å²	85	64.5 Å²	64.5	32%	0.321	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.6	-175.5	-53.8	-170.8	63.3	113.9	-6.2	113.1	R397 P398 F399 Q400	R397-R407 HydrophobicContact CB-CB 3.65Å; R397-R407 WeakPolarHBondContact CD-O 3.31Å; R397-R407 PolarHBondContact NH1-O 2.92Å; R397-R407 VanDerWaalsContact O-CZ 3.28Å; R397-R407 PolarHBondContact O-NE 3.25Å; R397-R407 PolarHBondContact O-NH2 3.03Å; P398-R407 PolarHBondContact O-NH2 3.48Å; F399-R407 CarbonylContact O-C 3.55Å; F399-R407 WeakPolarHBondContact O-CA 3.3Å; Q400-R407 HydrophobicContact CB-CG 4.02Å; Q400-R407 HydrophobicContact CG-CG 3.84Å
408	F	80.6	Confident	80.2	Confident	34 Å²	34	59.1 Å²	59.1	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.5	-173.4	-58.3	-85.2	0	0	0	112	R397 F399 C401 V406 N413 L414 H417	R397-F408 CarbonylContact C-O 3.54Å; R397-F408 VanDerWaalsContact CA-O 3.28Å; R397-F408 WeakPolarHBondContact CA-O 3.38Å; F399-F408 HydrophobicContact CB-CB 4.36Å; F399-F408 PolarHBondContact N-O 3.37Å; F399-F408 PolarHBondContact O-N 2.97Å; C401-F408 HydrophobicContact CB-CE2 4.33Å; V406-F408 HydrophobicContact CB-CE2 4.08Å; V406-F408 HydrophobicContact CB-CZ 4.14Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 HydrophobicContact CG1-CE2 3.75Å; V406-F408 HydrophobicContact CG1-CZ 3.46Å; V406-F408 VanDerWaalsContact CG1-CZ 3.46Å; V406-F408 WeakPolarHBondContact O-CE2 3.3Å; F408-N413 HydrophobicContact CB-CB 4.15Å; F408-N413 HydrophobicContact CD1-CB 3.89Å; F408-N413 HydrophobicContact CG-CB 4.27Å; F408-L414 HydrophobicContact CD2-CB 4.08Å; F408-L414 HydrophobicContact CD2-CD1 4.04Å; F408-L414 HydrophobicContact CE2-CD1 4.12Å; F408-H417 HydrophobicContact CE1-CB 4.11Å; F408-H417 HydrophobicContact CE2-CB 3.91Å; F408-H417 AromaticContact CE2-CD2 3.7Å; F408-H417 AromaticContact CE2-CG 3.72Å; F408-H417 HydrophobicContact CZ-CB 3.52Å; F408-H417 AromaticContact CZ-CD2 3.73Å; F408-H417 AromaticContact CZ-CG 3.31Å; F408-H417 AromaticContact CZ-ND1 3.6Å
409	T	83.4	Confident	80.5	Confident	67 Å²	67	55.9 Å²	55.9	41%	0.411	29%	0.291	S	S	.	.	S	Bend	trans	-82.4	-24.9	179	52	0	0	0	0	113.6	R397	R397-T409 HydrophobicContact CG-CG2 3.77Å
410	R	81.4	Confident	80.4	Confident	162 Å²	162	58.5 Å²	58.5	61%	0.611	31%	0.307	S	S	*	.	S	Bend	trans	-130	146.2	-179.5	-58.6	-174.8	-173.2	168	3.5	110.9	F399 Q412 N413 L414	F399-R410 VanDerWaalsContact CD2-C 3.43Å; R410-Q412 PolarHBondContact O-N 3.21Å; R410-N413 WeakPolarHBondContact O-CB 3.49Å; R410-N413 PolarHBondContact O-N 3.45Å; R410-L414 PolarHBondContact O-N 3.1Å
411	I	80.6	Confident	80.1	Confident	63 Å²	63	57.2 Å²	57.2	32%	0.323	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-37.2	180	-171.3	170.6	0	0	0	113.2	I380 F399 N413 L414 K415	I380-I411 HydrophobicContact CD1-CD1 3.68Å; F399-I411 HydrophobicContact CD1-CB 4.04Å; F399-I411 HydrophobicContact CD1-CG1 4.34Å; F399-I411 HydrophobicContact CE1-CB 3.81Å; F399-I411 HydrophobicContact CE1-CD1 4.45Å; F399-I411 HydrophobicContact CE1-CG1 4.32Å; F399-I411 HydrophobicContact CE2-CB 4.35Å; F399-I411 HydrophobicContact CG-CB 4.42Å; F399-I411 HydrophobicContact CZ-CB 3.98Å; I411-N413 VanDerWaalsContact C-N 3.26Å; I411-N413 PolarHBondContact O-N 2.99Å; I411-L414 CarbonylContact O-C 3.58Å; I411-L414 WeakPolarHBondContact O-CA 3.19Å; I411-L414 WeakPolarHBondContact O-CB 3.36Å; I411-L414 PolarHBondContact O-N 2.89Å; I411-K415 PolarHBondContact O-N 3.41Å
412	Q	79.8	Confident	79.7	Confident	79 Å²	79	58.5 Å²	58.5	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-56.3	-40.7	173.9	-68.3	152.6	-38.2	0	0	111.7	D366 R410 L414 K415 Q416	D366-Q412 PolarHBondContact OD2-NE2 2.79Å; R410-Q412 PolarHBondContact O-N 3.21Å; Q412-L414 VanDerWaalsContact C-N 3.28Å; Q412-L414 PolarHBondContact O-N 2.89Å; Q412-K415 PolarHBondContact O-N 3.33Å; Q412-Q416 VanDerWaalsContact O-CB 3.31Å; Q412-Q416 WeakPolarHBondContact O-CB 3.19Å; Q412-Q416 PolarHBondContact O-N 2.56Å
413	N	82	Confident	79.5	Confident	64 Å²	64	55.4 Å²	55.4	34%	0.342	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-32.1	177.1	-72	-34.5	0	0	0	111.9	F408 R410 I411 H417	F408-N413 HydrophobicContact CB-CB 4.15Å; F408-N413 HydrophobicContact CD1-CB 3.89Å; F408-N413 HydrophobicContact CG-CB 4.27Å; R410-N413 WeakPolarHBondContact O-CB 3.49Å; R410-N413 PolarHBondContact O-N 3.45Å; I411-N413 VanDerWaalsContact C-N 3.26Å; I411-N413 PolarHBondContact O-N 2.99Å; N413-H417 WeakPolarHBondContact O-CB 3.4Å; N413-H417 PolarHBondContact O-N 3.1Å
414	L	82.4	Confident	79.6	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-72.7	-48.8	171.2	176	58.5	0	0	0	111.8	F399 C401 F408 R410 I411 Q412 Q416 H417 M418	F399-L414 HydrophobicContact CB-CB 4.21Å; F399-L414 HydrophobicContact CB-CD2 3.93Å; C401-L414 HydrophobicContact CB-CD1 3.79Å; F408-L414 HydrophobicContact CD2-CB 4.08Å; F408-L414 HydrophobicContact CD2-CD1 4.04Å; F408-L414 HydrophobicContact CE2-CD1 4.12Å; R410-L414 PolarHBondContact O-N 3.1Å; I411-L414 CarbonylContact O-C 3.58Å; I411-L414 WeakPolarHBondContact O-CA 3.19Å; I411-L414 WeakPolarHBondContact O-CB 3.36Å; I411-L414 PolarHBondContact O-N 2.89Å; Q412-L414 VanDerWaalsContact C-N 3.28Å; Q412-L414 PolarHBondContact O-N 2.89Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 3.26Å; L414-H417 WeakPolarHBondContact O-CB 3.48Å; L414-H417 PolarHBondContact O-N 3.28Å; L414-M418 HydrophobicContact CD1-CG 4.16Å; L414-M418 HydrophobicContact CD1-SD 4.23Å; L414-M418 WeakPolarHBondContact O-CG 3.37Å; L414-M418 PolarHBondContact O-N 3.23Å
415	K	80.9	Confident	79.6	Confident	42 Å²	42	56.6 Å²	56.6	18%	0.183	29%	0.291	C	S	.	.	H	α-helix	trans	-50.7	-50.6	174.4	-76.7	-175.4	176.6	174.9	0	111	E370 L378 I411 Q412 H417 M418 L419	E370-K415 IonicContact OE1-NZ 3.86Å; E370-K415 PolarHBondContact OE1-NZ 3.39Å; L378-K415 HydrophobicContact CD1-CG 4.35Å; I411-K415 PolarHBondContact O-N 3.41Å; Q412-K415 PolarHBondContact O-N 3.33Å; K415-H417 VanDerWaalsContact C-N 3.34Å; K415-H417 PolarHBondContact O-N 3.11Å; K415-M418 PolarHBondContact O-N 2.92Å; K415-L419 PolarHBondContact O-N 3.45Å
416	Q	80.5	Confident	79.6	Confident	47 Å²	47	56.9 Å²	56.9	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-32.1	179.4	-165.7	-165.5	87.2	0	0	112.8	Q412 L414 L419 R438	Q412-Q416 VanDerWaalsContact O-CB 3.31Å; Q412-Q416 WeakPolarHBondContact O-CB 3.19Å; Q412-Q416 PolarHBondContact O-N 2.56Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 3.26Å; Q416-L419 HydrophobicContact CG-CD1 4.45Å; Q416-L419 WeakPolarHBondContact O-CB 3.44Å; Q416-R438 HydrophobicContact CG-CG 4.43Å
417	H	82.1	Confident	79.7	Confident	30 Å²	30	54.3 Å²	54.3	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-36.7	172.5	175.4	76.2	0	0	0	112.3	C404 F408 N413 L414 K415 L419 I420 H421	C404-H417 PolarHBondContact SG-NE2 3.43Å; F408-H417 HydrophobicContact CE1-CB 4.11Å; F408-H417 HydrophobicContact CE2-CB 3.91Å; F408-H417 AromaticContact CE2-CD2 3.7Å; F408-H417 AromaticContact CE2-CG 3.72Å; F408-H417 HydrophobicContact CZ-CB 3.52Å; F408-H417 AromaticContact CZ-CD2 3.73Å; F408-H417 AromaticContact CZ-CG 3.31Å; F408-H417 AromaticContact CZ-ND1 3.6Å; N413-H417 WeakPolarHBondContact O-CB 3.4Å; N413-H417 PolarHBondContact O-N 3.1Å; L414-H417 WeakPolarHBondContact O-CB 3.48Å; L414-H417 PolarHBondContact O-N 3.28Å; K415-H417 VanDerWaalsContact C-N 3.34Å; K415-H417 PolarHBondContact O-N 3.11Å; H417-L419 PolarHBondContact O-N 3.18Å; H417-I420 VanDerWaalsContact O-CB 3.26Å; H417-I420 WeakPolarHBondContact O-CB 3.46Å; H417-I420 WeakPolarHBondContact O-CG1 3.24Å; H417-I420 PolarHBondContact O-N 3.34Å; H417-H421 AromaticContact CD2-NE2 3.67Å; H417-H421 AromaticContact CE1-NE2 3.68Å; H417-H421 AromaticContact NE2-CD2 3.8Å; H417-H421 AromaticContact NE2-CE1 3.97Å; H417-H421 AromaticContact NE2-NE2 2.97Å; H417-H421 PolarHBondContact NE2-NE2 2.78Å
418	M	79.8	Confident	79.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-28.4	177.3	-67.9	-56.2	-64.8	0	0	112.9	Y376 P402 L414 K415 I420 H421 S422	Y376-M418 HydrophobicContact CD2-CE 3.61Å; Y376-M418 HydrophobicContact CE2-CE 4.09Å; Y376-M418 HydrophobicContact CG-CE 4.11Å; P402-M418 HydrophobicContact CG-CE 4.34Å; L414-M418 HydrophobicContact CD1-CG 4.16Å; L414-M418 HydrophobicContact CD1-SD 4.23Å; L414-M418 WeakPolarHBondContact O-CG 3.37Å; L414-M418 PolarHBondContact O-N 3.23Å; K415-M418 PolarHBondContact O-N 2.92Å; M418-I420 PolarHBondContact O-N 3.36Å; M418-I420 VanDerWaalsContact O-N 3.12Å; M418-H421 PolarHBondContact O-N 3.36Å; M418-S422 PolarHBondContact O-N 3.15Å; M418-S422 PolarHBondContact O-OG 3.43Å
419	L	81.3	Confident	80.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-26.2	171.5	-63.5	174.9	0	0	0	113.4	L369 V372 Y374 K415 Q416 H417 G423 I424 P426 T437	L369-L419 HydrophobicContact CD2-CD1 3.92Å; V372-L419 HydrophobicContact CG1-CD2 4.3Å; Y374-L419 HydrophobicContact CD1-CD2 4.44Å; Y374-L419 HydrophobicContact CE1-CD2 3.57Å; Y374-L419 HydrophobicContact CE1-CG 4.03Å; K415-L419 PolarHBondContact O-N 3.45Å; Q416-L419 HydrophobicContact CG-CD1 4.45Å; Q416-L419 WeakPolarHBondContact O-CB 3.44Å; H417-L419 PolarHBondContact O-N 3.18Å; L419-G423 PolarHBondContact O-N 3.33Å; L419-G423 VanDerWaalsContact O-N 3.08Å; L419-I424 HydrophobicContact CD2-CB 4Å; L419-I424 HydrophobicContact CD2-CG2 4.11Å; L419-I424 PolarHBondContact O-N 2.97Å; L419-P426 HydrophobicContact CD1-CG 4.42Å; L419-T437 HydrophobicContact CB-CG2 4.43Å
420	I	78	Confident	80	Confident	108 Å²	108	55.4 Å²	55.4	55%	0.554	28%	0.279	S	S	*	.	H	α-helix	trans	-70	-39.2	176.4	-54.5	176.7	0	0	0	110.5	H417 M418	H417-I420 VanDerWaalsContact O-CB 3.26Å; H417-I420 WeakPolarHBondContact O-CB 3.46Å; H417-I420 WeakPolarHBondContact O-CG1 3.24Å; H417-I420 PolarHBondContact O-N 3.34Å; M418-I420 PolarHBondContact O-N 3.36Å; M418-I420 VanDerWaalsContact O-N 3.12Å
421	H	75.5	Confident	79.9	Confident	59 Å²	59	55.3 Å²	55.3	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-78.3	-42.1	178.5	-59	-60.8	0	0	0	111.9	C401 T403 C404 H417 M418 G423	C401-H421 PolarHBondContact SG-NE2 3.34Å; C401-H421 VanDerWaalsContact SG-NE2 3.4Å; T403-H421 HydrophobicContact CG2-CB 4.19Å; C404-H421 PolarHBondContact SG-NE2 3.27Å; H417-H421 AromaticContact CD2-NE2 3.67Å; H417-H421 AromaticContact CE1-NE2 3.68Å; H417-H421 AromaticContact NE2-CD2 3.8Å; H417-H421 AromaticContact NE2-CE1 3.97Å; H417-H421 AromaticContact NE2-NE2 2.97Å; H417-H421 PolarHBondContact NE2-NE2 2.78Å; M418-H421 PolarHBondContact O-N 3.36Å; H421-G423 PolarHBondContact O-N 2.87Å
422	S	72.8	Confident	80	Confident	28 Å²	28	54.4 Å²	54.4	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-15.6	175.1	-47.5	0	0	0	0	113.4	Y376 M418 I424	Y376-S422 WeakPolarHBondContact CE2-OG 3.33Å; M418-S422 PolarHBondContact O-N 3.15Å; M418-S422 PolarHBondContact O-OG 3.43Å; S422-I424 PolarHBondContact O-N 3.44Å; S422-I424 VanDerWaalsContact O-N 3.07Å
423	G	73.8	Confident	80.1	Confident	45 Å²	45	52.4 Å²	52.4	46%	0.464	28%	0.277	S	S	.	.			trans	68	-0.7	-173	0	0	0	0	0	115.2	L419 H421	L419-G423 PolarHBondContact O-N 3.33Å; L419-G423 VanDerWaalsContact O-N 3.08Å; H421-G423 PolarHBondContact O-N 2.87Å
424	I	76.6	Confident	80.1	Confident	53 Å²	53	55.1 Å²	55.1	27%	0.272	29%	0.286	S	S	.	.			trans	-68.1	130.3	-175.7	-61.6	170.9	0	0	0	109.8	V372 P375 L419 S422	V372-I424 HydrophobicContact CG1-CD1 4.41Å; V372-I424 HydrophobicContact CG1-CG2 3.94Å; P375-I424 HydrophobicContact CG-CD1 4.36Å; L419-I424 HydrophobicContact CD2-CB 4Å; L419-I424 HydrophobicContact CD2-CG2 4.11Å; L419-I424 PolarHBondContact O-N 2.97Å; S422-I424 PolarHBondContact O-N 3.44Å; S422-I424 VanDerWaalsContact O-N 3.07Å
425	K	81.1	Confident	80.1	Confident	109 Å²	109	60.1 Å²	60.1	47%	0.474	31%	0.308	S	S	.	.			trans	-128.9	83.7	-176.3	-71	165.9	-178.2	179.2	0	109.1	F427 K435 F436 T437	K425-F427 PolarHBondContact O-N 3.15Å; K425-K435 HydrophobicContact CB-CB 3.53Å; K425-K435 HydrophobicContact CD-CB 4.09Å; K425-K435 HydrophobicContact CG-CB 4.42Å; K425-F436 CarbonylContact C-O 3.53Å; K425-F436 VanDerWaalsContact C-O 3.29Å; K425-F436 VanDerWaalsContact CA-O 3.28Å; K425-F436 WeakPolarHBondContact CA-O 3.48Å; K425-F436 WeakPolarHBondContact CB-O 3.35Å; K425-T437 HydrophobicContact CG-CG2 3.85Å
426	P	77.6	Confident	80.2	Confident	38 Å²	38	60.4 Å²	60.4	25%	0.247	31%	0.309	C	S	.	.			trans	-73.6	-14.8	-170	28.1	-31.8	0	0	0	113.5	V372 L419	V372-P426 HydrophobicContact CG2-CB 3.98Å; V372-P426 HydrophobicContact CG2-CG 4.34Å; L419-P426 HydrophobicContact CD1-CG 4.42Å
427	F	81.3	Confident	80.1	Confident	15 Å²	15	60 Å²	60	7%	0.066	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	101.4	-178.6	-56.3	-78	0	0	0	110.7	D365 L369 K425 K435 F436 R438 A439 L442	D365-F427 WeakPolarHBondContact OD1-CE1 3.29Å; L369-F427 HydrophobicContact CD2-CE2 4.49Å; K425-F427 PolarHBondContact O-N 3.15Å; F427-K435 CarbonylContact O-C 3.45Å; F427-K435 WeakPolarHBondContact O-CA 3.48Å; F427-F436 HydrophobicContact CB-CB 4.3Å; F427-F436 PolarHBondContact N-O 2.83Å; F427-F436 PolarHBondContact O-N 3.48Å; F427-R438 VanDerWaalsContact CD2-C 3.4Å; F427-A439 HydrophobicContact CD1-CB 3.89Å; F427-A439 HydrophobicContact CE1-CB 3.61Å; F427-A439 HydrophobicContact CG-CB 4.48Å; F427-A439 HydrophobicContact CZ-CB 3.97Å; F427-L442 HydrophobicContact CB-CB 4.13Å; F427-L442 HydrophobicContact CB-CD2 3.91Å
428	Q	85.1	Confident	80	Confident	86 Å²	86	64.6 Å²	64.6	40%	0.402	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.5	177.9	-176.4	162.6	-29	0	0	111.6	K435 L442	Q428-K435 HydrophobicContact CB-CG 4.25Å; Q428-K435 HydrophobicContact CG-CG 4.1Å; Q428-L442 VanDerWaalsContact O-CD2 3.31Å; Q428-L442 WeakPolarHBondContact O-CD2 3.16Å
429	C	85.8	Confident	79.9	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.007	34%	0.335	C	S	.	.			trans	-92.2	115.6	173	-174.4	0	0	0	0	111.4	R431 C432 G433 K434 F436 L442 H445 H449	C429-R431 VanDerWaalsContact C-N 3.27Å; C429-R431 PolarHBondContact O-N 2.86Å; C429-C432 PolarHBondContact O-N 3.06Å; C429-G433 WeakPolarHBondContact O-CA 3.47Å; C429-G433 PolarHBondContact O-N 3.39Å; C429-K434 WeakPolarHBondContact CB-O 3.46Å; C429-K434 PolarHBondContact N-O 3.37Å; C429-F436 HydrophobicContact CB-CE2 4.28Å; C429-L442 HydrophobicContact CB-CD1 3.57Å; C429-H445 VanDerWaalsContact SG-CD2 3.56Å; C429-H449 PolarHBondContact SG-NE2 2.82Å
430	D	82.6	Confident	79.8	Confident	121 Å²	121	71.5 Å²	71.5	65%	0.647	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-39.3	-176.5	-33.3	-64.3	0	0	0	111.9	C432 R446	D430-C432 PolarHBondContact O-N 3.38Å; D430-R446 IonicContact OD2-CZ 3.04Å; D430-R446 IonicContact OD2-NH1 2.7Å; D430-R446 PolarHBondContact OD2-NH1 2.6Å
431	R	78.9	Confident	79.9	Confident	161 Å²	161	68.4 Å²	68.4	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.4	-177.7	-69.4	-170.6	-179.9	-172.3	2.7	115.5	C429 H449	C429-R431 VanDerWaalsContact C-N 3.27Å; C429-R431 PolarHBondContact O-N 2.86Å; R431-H449 PolarHBondContact NH1-O 2.94Å
432	C	82.9	Confident	80.3	Confident	44 Å²	44	66.7 Å²	66.7	30%	0.297	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157	19	-176.5	76.1	0	0	0	0	116	C429 D430 K434 H445 H449	C429-C432 PolarHBondContact O-N 3.06Å; D430-C432 PolarHBondContact O-N 3.38Å; C432-K434 PolarHBondContact O-N 2.9Å; C432-H445 PolarHBondContact SG-NE2 2.82Å; C432-H449 WeakPolarHBondContact CB-CE1 3.17Å; C432-H449 PolarHBondContact SG-CE1 3.44Å; C432-H449 PolarHBondContact SG-NE2 2.94Å
433	G	80.9	Confident	80.8	Confident	36 Å²	36	72.2 Å²	72.2	37%	0.371	36%	0.359	S	S	.	.			trans	66.2	-4.8	176	0	0	0	0	0	117.1	C429 K435	C429-G433 WeakPolarHBondContact O-CA 3.47Å; C429-G433 PolarHBondContact O-N 3.39Å; G433-K435 WeakPolarHBondContact O-CG 3.32Å; G433-K435 PolarHBondContact O-N 3.36Å
434	K	82.3	Confident	80.9	Confident	121 Å²	121	71.6 Å²	71.6	53%	0.526	34%	0.344	S	S	.	.			trans	-67.6	125.1	-173.8	-72.8	176.1	-173	169.2	0	110.7	C429 C432 F436	C429-K434 WeakPolarHBondContact CB-O 3.46Å; C429-K434 PolarHBondContact N-O 3.37Å; C432-K434 PolarHBondContact O-N 2.9Å; K434-F436 HydrophobicContact CB-CE2 3.86Å; K434-F436 HydrophobicContact CB-CZ 4.05Å; K434-F436 WeakPolarHBondContact O-CD2 3.45Å; K434-F436 VanDerWaalsContact O-CE2 3.23Å; K434-F436 WeakPolarHBondContact O-CE2 3.33Å
435	K	83.3	Confident	81.1	Confident	116 Å²	116	70.5 Å²	70.5	50%	0.504	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.9	-177.8	-44.6	-163.3	-169.8	-144	0	112.1	K425 F427 Q428 G433	K425-K435 HydrophobicContact CB-CB 3.53Å; K425-K435 HydrophobicContact CD-CB 4.09Å; K425-K435 HydrophobicContact CG-CB 4.42Å; F427-K435 CarbonylContact O-C 3.45Å; F427-K435 WeakPolarHBondContact O-CA 3.48Å; Q428-K435 HydrophobicContact CB-CG 4.25Å; Q428-K435 HydrophobicContact CG-CG 4.1Å; G433-K435 WeakPolarHBondContact O-CG 3.32Å; G433-K435 PolarHBondContact O-N 3.36Å
436	F	81.6	Confident	81.1	Confident	48 Å²	48	70.7 Å²	70.7	21%	0.211	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.3	-175	-59.7	-89	0	0	0	111.3	K425 F427 C429 K434 L442 H445	K425-F436 CarbonylContact C-O 3.53Å; K425-F436 VanDerWaalsContact C-O 3.29Å; K425-F436 VanDerWaalsContact CA-O 3.28Å; K425-F436 WeakPolarHBondContact CA-O 3.48Å; K425-F436 WeakPolarHBondContact CB-O 3.35Å; F427-F436 HydrophobicContact CB-CB 4.3Å; F427-F436 PolarHBondContact N-O 2.83Å; F427-F436 PolarHBondContact O-N 3.48Å; C429-F436 HydrophobicContact CB-CE2 4.28Å; K434-F436 HydrophobicContact CB-CE2 3.86Å; K434-F436 HydrophobicContact CB-CZ 4.05Å; K434-F436 WeakPolarHBondContact O-CD2 3.45Å; K434-F436 VanDerWaalsContact O-CE2 3.23Å; K434-F436 WeakPolarHBondContact O-CE2 3.33Å; F436-L442 HydrophobicContact CD2-CB 4.15Å; F436-L442 HydrophobicContact CD2-CD1 4.14Å; F436-L442 HydrophobicContact CE2-CD1 4.28Å; F436-H445 HydrophobicContact CE1-CB 4.21Å; F436-H445 HydrophobicContact CE2-CB 4.03Å; F436-H445 AromaticContact CE2-CD2 3.38Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.49Å; F436-H445 AromaticContact CE2-CG 3.82Å; F436-H445 HydrophobicContact CZ-CB 3.63Å; F436-H445 AromaticContact CZ-CD2 3.36Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.26Å; F436-H445 AromaticContact CZ-CG 3.39Å
437	T	79.3	Confident	81.2	Confident	40 Å²	40	70.3 Å²	70.3	25%	0.245	33%	0.331	C	S	.	.	S	Bend	trans	-89	-1.6	176.3	51.7	0	0	0	0	114	L419 K425	L419-T437 HydrophobicContact CB-CG2 4.43Å; K425-T437 HydrophobicContact CG-CG2 3.85Å
438	R	80.1	Confident	80.8	Confident	126 Å²	126	76 Å²	76	48%	0.475	36%	0.356	S	S	.	.	S	Bend	trans	-147.7	137.6	-175.8	-66.1	179.3	168.4	177.6	-10.3	111.6	Q416 F427 Y440 S441 L442	Q416-R438 HydrophobicContact CG-CG 4.43Å; F427-R438 VanDerWaalsContact CD2-C 3.4Å; R438-Y440 PolarHBondContact O-N 3.44Å; R438-S441 WeakPolarHBondContact O-CB 3.3Å; R438-S441 PolarHBondContact O-N 2.9Å; R438-L442 PolarHBondContact O-N 3.1Å
439	A	78.1	Confident	80.3	Confident	23 Å²	23	75.4 Å²	75.4	19%	0.19	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-45	174.9	0	0	0	0	0	113.3	D365 F427 S441 L442 K443	D365-A439 WeakPolarHBondContact OD1-CB 3.27Å; D365-A439 VanDerWaalsContact OD2-CB 3.3Å; D365-A439 WeakPolarHBondContact OD2-CB 3.47Å; F427-A439 HydrophobicContact CD1-CB 3.89Å; F427-A439 HydrophobicContact CE1-CB 3.61Å; F427-A439 HydrophobicContact CG-CB 4.48Å; F427-A439 HydrophobicContact CZ-CB 3.97Å; A439-S441 PolarHBondContact O-N 3.06Å; A439-L442 CarbonylContact O-C 3.56Å; A439-L442 WeakPolarHBondContact O-CA 3.2Å; A439-L442 WeakPolarHBondContact O-CB 3.31Å; A439-L442 PolarHBondContact O-N 2.89Å; A439-K443 PolarHBondContact O-N 3.05Å
440	Y	79.3	Confident	79.6	Confident	124 Å²	124	78.7 Å²	78.7	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-54.3	-39.6	175	174.7	-97.2	0	0	0	112.7	R438 K443 M444	R438-Y440 PolarHBondContact O-N 3.44Å; Y440-K443 PolarHBondContact O-N 3.26Å; Y440-M444 HydrophobicContact CD1-CG 4.18Å; Y440-M444 HydrophobicContact CD2-CE 4.47Å; Y440-M444 HydrophobicContact CD2-CG 4.33Å; Y440-M444 HydrophobicContact CE1-CG 3.68Å; Y440-M444 HydrophobicContact CE2-CE 3.8Å; Y440-M444 HydrophobicContact CE2-CG 3.83Å; Y440-M444 HydrophobicContact CE2-SD 4.1Å; Y440-M444 HydrophobicContact CG-CG 4.49Å; Y440-M444 VanDerWaalsContact CZ-CG 3.48Å; Y440-M444 WeakPolarHBondContact O-CB 3.26Å; Y440-M444 WeakPolarHBondContact O-CG 3.36Å; Y440-M444 PolarHBondContact O-N 3Å
441	S	80.1	Confident	78.7	Confident	42 Å²	42	75.3 Å²	75.3	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-67	-36.5	176.8	-59.8	0	0	0	0	112.1	R438 A439 H445	R438-S441 WeakPolarHBondContact O-CB 3.3Å; R438-S441 PolarHBondContact O-N 2.9Å; A439-S441 PolarHBondContact O-N 3.06Å; S441-H445 VanDerWaalsContact O-CB 3.24Å; S441-H445 WeakPolarHBondContact O-CB 3.48Å; S441-H445 PolarHBondContact O-N 3.33Å
442	L	84	Confident	78.1	Confident	24 Å²	24	73.2 Å²	73.2	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-42.2	171.1	172.7	60.6	0	0	0	111.8	F427 Q428 C429 F436 R438 A439 H445 R446	F427-L442 HydrophobicContact CB-CB 4.13Å; F427-L442 HydrophobicContact CB-CD2 3.91Å; Q428-L442 VanDerWaalsContact O-CD2 3.31Å; Q428-L442 WeakPolarHBondContact O-CD2 3.16Å; C429-L442 HydrophobicContact CB-CD1 3.57Å; F436-L442 HydrophobicContact CD2-CB 4.15Å; F436-L442 HydrophobicContact CD2-CD1 4.14Å; F436-L442 HydrophobicContact CE2-CD1 4.28Å; R438-L442 PolarHBondContact O-N 3.1Å; A439-L442 CarbonylContact O-C 3.56Å; A439-L442 WeakPolarHBondContact O-CA 3.2Å; A439-L442 WeakPolarHBondContact O-CB 3.31Å; A439-L442 PolarHBondContact O-N 2.89Å; L442-H445 CarbonylContact O-C 3.59Å; L442-H445 WeakPolarHBondContact O-CB 3.41Å; L442-H445 PolarHBondContact O-N 3.32Å; L442-H445 VanDerWaalsContact O-N 3.14Å; L442-R446 HydrophobicContact CD1-CG 4.11Å; L442-R446 PolarHBondContact O-N 2.89Å
443	K	82.4	Confident	77.3	Confident	144 Å²	144	78.1 Å²	78.1	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-61.5	-48.7	178.1	-168.4	169.9	-176	172.1	0	111.4	A439 Y440 H445 R446 L447	A439-K443 PolarHBondContact O-N 3.05Å; Y440-K443 PolarHBondContact O-N 3.26Å; K443-H445 VanDerWaalsContact C-N 3.28Å; K443-H445 PolarHBondContact O-N 3.41Å; K443-R446 PolarHBondContact O-N 2.9Å; K443-L447 WeakPolarHBondContact O-CG 3.47Å; K443-L447 PolarHBondContact O-N 3.07Å
444	M	76.1	Confident	76.5	Confident	31 Å²	31	80 Å²	80	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-61.2	-35.4	172.3	-68.3	-63.8	108.3	0	0	112.5	Y440 L447 F455	Y440-M444 HydrophobicContact CD1-CG 4.18Å; Y440-M444 HydrophobicContact CD2-CE 4.47Å; Y440-M444 HydrophobicContact CD2-CG 4.33Å; Y440-M444 HydrophobicContact CE1-CG 3.68Å; Y440-M444 HydrophobicContact CE2-CE 3.8Å; Y440-M444 HydrophobicContact CE2-CG 3.83Å; Y440-M444 HydrophobicContact CE2-SD 4.1Å; Y440-M444 HydrophobicContact CG-CG 4.49Å; Y440-M444 VanDerWaalsContact CZ-CG 3.48Å; Y440-M444 WeakPolarHBondContact O-CB 3.26Å; Y440-M444 WeakPolarHBondContact O-CG 3.36Å; Y440-M444 PolarHBondContact O-N 3Å; M444-L447 HydrophobicContact CE-CD1 3.58Å; M444-L447 HydrophobicContact SD-CD1 4.34Å; M444-F455 HydrophobicContact SD-CE2 3.91Å; M444-F455 HydrophobicContact SD-CZ 4.18Å
445	H	81.4	Confident	75.8	Confident	30 Å²	30	76.2 Å²	76.2	14%	0.139	36%	0.36	C	S	.	.	H	α-helix	trans	-70.8	-38.4	176	-179.8	50.5	0	0	0	113.3	C429 C432 F436 S441 L442 K443 K448 H449	C429-H445 VanDerWaalsContact SG-CD2 3.56Å; C432-H445 PolarHBondContact SG-NE2 2.82Å; F436-H445 HydrophobicContact CE1-CB 4.21Å; F436-H445 HydrophobicContact CE2-CB 4.03Å; F436-H445 AromaticContact CE2-CD2 3.38Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.49Å; F436-H445 AromaticContact CE2-CG 3.82Å; F436-H445 HydrophobicContact CZ-CB 3.63Å; F436-H445 AromaticContact CZ-CD2 3.36Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.26Å; F436-H445 AromaticContact CZ-CG 3.39Å; S441-H445 VanDerWaalsContact O-CB 3.24Å; S441-H445 WeakPolarHBondContact O-CB 3.48Å; S441-H445 PolarHBondContact O-N 3.33Å; L442-H445 CarbonylContact O-C 3.59Å; L442-H445 WeakPolarHBondContact O-CB 3.41Å; L442-H445 PolarHBondContact O-N 3.32Å; L442-H445 VanDerWaalsContact O-N 3.14Å; K443-H445 VanDerWaalsContact C-N 3.28Å; K443-H445 PolarHBondContact O-N 3.41Å; H445-K448 WeakPolarHBondContact O-CB 3.26Å; H445-K448 PolarHBondContact O-N 2.94Å; H445-H449 AromaticContact CD2-NE2 3.22Å; H445-H449 PolarHBondContact CD2-NE2 2.81Å; H445-H449 AromaticContact CE1-CD2 3.99Å; H445-H449 AromaticContact CE1-NE2 2.9Å; H445-H449 PolarHBondContact CE1-NE2 2.83Å; H445-H449 AromaticContact ND1-NE2 3.9Å; H445-H449 AromaticContact NE2-CD2 3.86Å; H445-H449 AromaticContact NE2-NE2 2.34Å; H445-H449 PolarHBondContact NE2-NE2 3.27Å; H445-H449 PolarHBondContact O-CD2 2.91Å
446	R	80.3	Confident	75.1	Confident	113 Å²	113	78.7 Å²	78.7	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-41.5	174.9	-78.3	177.7	60.7	147.3	-14.4	111.6	D430 L442 K443 K448 H449 E450	D430-R446 IonicContact OD2-CZ 3.04Å; D430-R446 IonicContact OD2-NH1 2.7Å; D430-R446 PolarHBondContact OD2-NH1 2.6Å; L442-R446 HydrophobicContact CD1-CG 4.11Å; L442-R446 PolarHBondContact O-N 2.89Å; K443-R446 PolarHBondContact O-N 2.9Å; R446-K448 PolarHBondContact O-N 3.02Å; R446-H449 WeakPolarHBondContact O-CA 3.43Å; R446-H449 WeakPolarHBondContact O-CB 3.45Å; R446-H449 PolarHBondContact O-N 3.15Å; R446-E450 PolarHBondContact O-N 3.17Å
447	L	79.1	Confident	74.7	Confident	30 Å²	30	76.4 Å²	76.4	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-58.1	-32.2	175.4	-69	164	0	0	0	113.1	K443 M444 H449 E450 G451 K452	K443-L447 WeakPolarHBondContact O-CG 3.47Å; K443-L447 PolarHBondContact O-N 3.07Å; M444-L447 HydrophobicContact CE-CD1 3.58Å; M444-L447 HydrophobicContact SD-CD1 4.34Å; L447-H449 VanDerWaalsContact C-N 3.31Å; L447-H449 PolarHBondContact O-N 2.98Å; L447-E450 CarbonylContact O-C 3.49Å; L447-E450 PolarHBondContact O-N 3.45Å; L447-E450 VanDerWaalsContact O-N 3.08Å; L447-G451 PolarHBondContact O-N 2.85Å; L447-G451 VanDerWaalsContact O-N 3.14Å; L447-K452 HydrophobicContact CD2-CB 3.87Å; L447-K452 HydrophobicContact CD2-CD 3.96Å; L447-K452 PolarHBondContact O-N 3.41Å
448	K	73.1	Confident	73.9	Confident	135 Å²	135	82.7 Å²	82.7	59%	0.587	38%	0.382	S	S	*	.	H	α-helix	trans	-66.2	-28.9	172.9	-176.2	166.1	-178.3	162.9	0	113.4	H445 R446 E450	H445-K448 WeakPolarHBondContact O-CB 3.26Å; H445-K448 PolarHBondContact O-N 2.94Å; R446-K448 PolarHBondContact O-N 3.02Å; K448-E450 VanDerWaalsContact C-N 3.31Å
449	H	75.4	Confident	73.2	Confident	73 Å²	73	81.1 Å²	81.1	34%	0.338	38%	0.383	S	S	.	.	H	α-helix	trans	-79	-13.7	171.6	-67.9	-78.4	0	0	0	113.4	C429 R431 C432 H445 R446 L447	C429-H449 PolarHBondContact SG-NE2 2.82Å; R431-H449 PolarHBondContact NH1-O 2.94Å; C432-H449 WeakPolarHBondContact CB-CE1 3.17Å; C432-H449 PolarHBondContact SG-CE1 3.44Å; C432-H449 PolarHBondContact SG-NE2 2.94Å; H445-H449 AromaticContact CD2-NE2 3.22Å; H445-H449 PolarHBondContact CD2-NE2 2.81Å; H445-H449 AromaticContact CE1-CD2 3.99Å; H445-H449 AromaticContact CE1-NE2 2.9Å; H445-H449 PolarHBondContact CE1-NE2 2.83Å; H445-H449 AromaticContact ND1-NE2 3.9Å; H445-H449 AromaticContact NE2-CD2 3.86Å; H445-H449 AromaticContact NE2-NE2 2.34Å; H445-H449 PolarHBondContact NE2-NE2 3.27Å; H445-H449 PolarHBondContact O-CD2 2.91Å; R446-H449 WeakPolarHBondContact O-CA 3.43Å; R446-H449 WeakPolarHBondContact O-CB 3.45Å; R446-H449 PolarHBondContact O-N 3.15Å; L447-H449 VanDerWaalsContact C-N 3.31Å; L447-H449 PolarHBondContact O-N 2.98Å
450	E	70.9	Confident	72.8	Confident	71 Å²	71	82.4 Å²	82.4	33%	0.332	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	1.9	178	-65.4	173.4	-143.3	0	0	112.1	R446 L447 K448 K452	R446-E450 PolarHBondContact O-N 3.17Å; L447-E450 CarbonylContact O-C 3.49Å; L447-E450 PolarHBondContact O-N 3.45Å; L447-E450 VanDerWaalsContact O-N 3.08Å; K448-E450 VanDerWaalsContact C-N 3.31Å; E450-K452 HydrophobicContact CB-CD 4.01Å; E450-K452 HydrophobicContact CB-CG 4.13Å; E450-K452 PolarHBondContact O-N 3.05Å; E450-K452 WeakPolarHBondContact OE2-CD 3.47Å; E450-K452 WeakPolarHBondContact OE2-CE 3.45Å; E450-K452 IonicContact OE2-NZ 2.67Å; E450-K452 PolarHBondContact OE2-NZ 3.1Å
451	G	64.6	Low	72.3	Confident	50 Å²	50	79.8 Å²	79.8	52%	0.515	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	-11.3	-176.1	0	0	0	0	0	115.3	L447 R453	L447-G451 PolarHBondContact O-N 2.85Å; L447-G451 VanDerWaalsContact O-N 3.14Å; G451-R453 PolarHBondContact O-N 3.31Å
452	K	65.7	Low	71.9	Confident	116 Å²	116	79.3 Å²	79.3	50%	0.504	39%	0.388	S	S	.	.			trans	-62.7	123	-175.3	-68.2	172.2	-174.7	166.9	0	111.3	L447 E450	L447-K452 HydrophobicContact CD2-CB 3.87Å; L447-K452 HydrophobicContact CD2-CD 3.96Å; L447-K452 PolarHBondContact O-N 3.41Å; E450-K452 HydrophobicContact CB-CD 4.01Å; E450-K452 HydrophobicContact CB-CG 4.13Å; E450-K452 PolarHBondContact O-N 3.05Å; E450-K452 WeakPolarHBondContact OE2-CD 3.47Å; E450-K452 WeakPolarHBondContact OE2-CE 3.45Å; E450-K452 IonicContact OE2-NZ 2.67Å; E450-K452 PolarHBondContact OE2-NZ 3.1Å
453	R	65.4	Low	71.3	Confident	148 Å²	148	80.9 Å²	80.9	56%	0.558	40%	0.399	S	S	*	.			trans	-111.3	107.4	-179.6	-69.4	165.1	122.1	95.7	-2.1	109.6	G451 T463 T465	G451-R453 PolarHBondContact O-N 3.31Å; R453-T463 WeakPolarHBondContact CD-OG1 3.39Å; R453-T463 PolarHBondContact NE-O 3.11Å; R453-T463 PolarHBondContact NE-OG1 3Å; R453-T465 HydrophobicContact CG-CG2 4.1Å
454	C	65.1	Low	71	Confident	75 Å²	75	75.8 Å²	75.8	51%	0.507	38%	0.377	S	S	.	.			trans	-90.2	-11.9	-169.8	-59.4	0	0	0	0	114.8	F464	C454-F464 PolarHBondContact N-O 2.95Å
455	F	67.2	Low	70.6	Confident	42 Å²	42	75.4 Å²	75.4	18%	0.184	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.4	-176.4	-53.3	-81.5	0	0	0	110.1	M444 T463 F464 S466 F467 Y470	M444-F455 HydrophobicContact SD-CE2 3.91Å; M444-F455 HydrophobicContact SD-CZ 4.18Å; F455-T463 CarbonylContact O-C 3.35Å; F455-T463 WeakPolarHBondContact O-CA 3.33Å; F455-F464 HydrophobicContact CB-CB 4.32Å; F455-F464 PolarHBondContact N-O 3.34Å; F455-F464 WeakPolarHBondContact O-CD2 3.47Å; F455-F464 PolarHBondContact O-N 2.89Å; F455-S466 VanDerWaalsContact CD2-C 3.48Å; F455-F467 HydrophobicContact CD1-CD2 4.18Å; F455-F467 HydrophobicContact CE1-CB 4.04Å; F455-F467 AromaticContact CE1-CD2 3.88Å; F455-F467 HydrophobicContact CE1-CD2 3.88Å; F455-F467 HydrophobicContact CE1-CG 4.45Å; F455-F467 HydrophobicContact CE2-CB 4.21Å; F455-F467 VanDerWaalsContact CE2-N 3.31Å; F455-F467 HydrophobicContact CZ-CB 3.83Å; F455-Y470 HydrophobicContact CB-CD2 4.19Å; F455-Y470 HydrophobicContact CB-CG 3.93Å
456	R	69.1	Low	70.1	Confident	167 Å²	167	75.6 Å²	75.6	63%	0.63	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.1	178	-179.7	169.8	171	151.5	-4.2	110.3	Q458 A462 T463	R456-Q458 PolarHBondContact O-N 3.16Å; R456-A462 WeakPolarHBondContact CA-O 3.44Å; R456-T463 HydrophobicContact CB-CG2 4.08Å; R456-T463 HydrophobicContact CG-CG2 4.04Å
457	C	72.4	Confident	69.7	Low	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.38	C	S	.	.			trans	-69.3	120.7	164.7	175.3	0	0	0	0	109.1	C460 S461 A462 F464 Y470 H473 M474	C457-C460 PolarHBondContact SG-N 3.48Å; C457-S461 CarbonylContact O-C 3.59Å; C457-S461 WeakPolarHBondContact O-CA 3.3Å; C457-S461 PolarHBondContact O-N 3.02Å; C457-A462 HydrophobicContact CB-CB 4.43Å; C457-A462 PolarHBondContact N-O 2.91Å; C457-F464 HydrophobicContact CB-CE2 4.35Å; C457-Y470 HydrophobicContact CB-CE2 4.39Å; C457-H473 VanDerWaalsContact CB-NE2 3.33Å; C457-H473 WeakPolarHBondContact CB-NE2 3.42Å; C457-H473 PolarHBondContact SG-NE2 2.9Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C457-M474 HydrophobicContact CB-CE 4.06Å; C457-M474 WeakPolarHBondContact SG-CE 3.38Å
458	Q	62.7	Low	69.4	Low	172 Å²	172	75.7 Å²	75.7	80%	0.804	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-39	176.9	-69.4	173.7	-15.5	0	0	111.5	R456 C460	R456-Q458 PolarHBondContact O-N 3.16Å; Q458-C460 PolarHBondContact O-N 3.1Å
459	I	65.6	Low	69.3	Low	93 Å²	93	73.1 Å²	73.1	48%	0.477	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.1	-174	-55.7	170.9	0	0	0	113.1	H479 I480	I459-H479 HydrophobicContact CG2-CB 4.12Å; I459-I480 HydrophobicContact CD1-CD1 4.42Å; I459-I480 HydrophobicContact CD1-CG1 4.42Å
460	C	69.8	Low	69.4	Low	50 Å²	50	72.6 Å²	72.6	34%	0.338	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	16.8	-177.7	80.5	0	0	0	0	114.3	C457 Q458 A462 H473 H479	C457-C460 PolarHBondContact SG-N 3.48Å; Q458-C460 PolarHBondContact O-N 3.1Å; C460-A462 PolarHBondContact O-N 2.96Å; C460-H473 PolarHBondContact SG-CE1 3.43Å; C460-H473 PolarHBondContact SG-NE2 3.15Å; C460-H479 PolarHBondContact SG-CE1 2.93Å
461	S	68.8	Low	69.6	Low	70 Å²	70	74.5 Å²	74.5	49%	0.49	39%	0.391	S	S	.	.			trans	57.5	-3.2	-177.9	72.6	0	0	0	0	118.1	C457	C457-S461 CarbonylContact O-C 3.59Å; C457-S461 WeakPolarHBondContact O-CA 3.3Å; C457-S461 PolarHBondContact O-N 3.02Å
462	A	70.3	Confident	70	Confident	32 Å²	32	77.4 Å²	77.4	26%	0.264	39%	0.39	S	S	.	.			trans	-62.4	136.7	-173.4	0	0	0	0	0	113	R456 C457 C460 F464	R456-A462 WeakPolarHBondContact CA-O 3.44Å; C457-A462 HydrophobicContact CB-CB 4.43Å; C457-A462 PolarHBondContact N-O 2.91Å; C460-A462 PolarHBondContact O-N 2.96Å; A462-F464 HydrophobicContact CB-CE2 3.87Å; A462-F464 HydrophobicContact CB-CZ 3.66Å; A462-F464 VanDerWaalsContact O-CE2 3.25Å; A462-F464 WeakPolarHBondContact O-CE2 3.43Å
463	T	72.6	Confident	70.5	Confident	56 Å²	56	73.1 Å²	73.1	34%	0.344	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.5	-171	50.3	0	0	0	0	113.2	R453 F455 R456	R453-T463 WeakPolarHBondContact CD-OG1 3.39Å; R453-T463 PolarHBondContact NE-O 3.11Å; R453-T463 PolarHBondContact NE-OG1 3Å; F455-T463 CarbonylContact O-C 3.35Å; F455-T463 WeakPolarHBondContact O-CA 3.33Å; R456-T463 HydrophobicContact CB-CG2 4.08Å; R456-T463 HydrophobicContact CG-CG2 4.04Å
464	F	75.4	Confident	70.7	Confident	37 Å²	37	68.1 Å²	68.1	16%	0.162	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.4	-171.1	-53.4	-81.9	0	0	0	112.5	C454 F455 C457 A462 E469 Y470 H473	C454-F464 PolarHBondContact N-O 2.95Å; F455-F464 HydrophobicContact CB-CB 4.32Å; F455-F464 PolarHBondContact N-O 3.34Å; F455-F464 WeakPolarHBondContact O-CD2 3.47Å; F455-F464 PolarHBondContact O-N 2.89Å; C457-F464 HydrophobicContact CB-CE2 4.35Å; A462-F464 HydrophobicContact CB-CE2 3.87Å; A462-F464 HydrophobicContact CB-CZ 3.66Å; A462-F464 VanDerWaalsContact O-CE2 3.25Å; A462-F464 WeakPolarHBondContact O-CE2 3.43Å; F464-E469 HydrophobicContact CB-CB 4.12Å; F464-E469 HydrophobicContact CD1-CB 3.95Å; F464-E469 HydrophobicContact CG-CB 4.33Å; F464-Y470 AromaticContact CD2-CD2 3.85Å; F464-Y470 HydrophobicContact CD2-CD2 3.85Å; F464-Y470 HydrophobicContact CD2-CG 4.49Å; F464-Y470 HydrophobicContact CE2-CD2 4.19Å; F464-H473 HydrophobicContact CE1-CB 3.9Å; F464-H473 HydrophobicContact CE2-CB 4.06Å; F464-H473 AromaticContact CE2-CD2 3.54Å; F464-H473 AromaticContact CE2-CG 3.69Å; F464-H473 AromaticContact CE2-NE2 3.97Å; F464-H473 HydrophobicContact CZ-CB 3.57Å; F464-H473 AromaticContact CZ-CD2 3.54Å; F464-H473 AromaticContact CZ-CE1 3.78Å; F464-H473 AromaticContact CZ-CG 3.22Å; F464-H473 AromaticContact CZ-ND1 3.4Å; F464-H473 WeakPolarHBondContact CZ-ND1 3.38Å; F464-H473 AromaticContact CZ-NE2 3.88Å
465	T	68.5	Low	70.8	Confident	23 Å²	23	72.4 Å²	72.4	14%	0.141	36%	0.361	C	S	.	.	S	Bend	trans	-81.4	-15.5	176.1	36	0	0	0	0	113.7	R453 E469	R453-T465 HydrophobicContact CG-CG2 4.1Å; T465-E469 PolarHBondContact N-OE2 3.4Å; T465-E469 PolarHBondContact OG1-OE2 2.84Å
466	S	70.4	Confident	70.7	Confident	34 Å²	34	74.2 Å²	74.2	24%	0.238	38%	0.375	C	S	.	.	S	Bend	trans	-145.4	151.8	179.5	71.3	0	0	0	0	113.5	F455 G468 E469 Y470	F455-S466 VanDerWaalsContact CD2-C 3.48Å; S466-G468 PolarHBondContact O-N 2.93Å; S466-E469 WeakPolarHBondContact CB-OE2 3.34Å; S466-E469 PolarHBondContact N-OE2 2.91Å; S466-E469 PolarHBondContact O-N 2.93Å; S466-E469 VanDerWaalsContact OG-CG 3.24Å; S466-E469 WeakPolarHBondContact OG-CG 3.13Å; S466-E469 PolarHBondContact OG-N 3.1Å; S466-E469 PolarHBondContact OG-OE2 3.37Å; S466-Y470 PolarHBondContact O-N 3.44Å
467	F	72.6	Confident	70.5	Confident	95 Å²	95	67.1 Å²	67.1	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-29.2	174.4	-174.7	-106.7	0	0	0	113	F455 Y470 K471	F455-F467 HydrophobicContact CD1-CD2 4.18Å; F455-F467 HydrophobicContact CE1-CB 4.04Å; F455-F467 AromaticContact CE1-CD2 3.88Å; F455-F467 HydrophobicContact CE1-CD2 3.88Å; F455-F467 HydrophobicContact CE1-CG 4.45Å; F455-F467 HydrophobicContact CE2-CB 4.21Å; F455-F467 VanDerWaalsContact CE2-N 3.31Å; F455-F467 HydrophobicContact CZ-CB 3.83Å; F467-Y470 HydrophobicContact CD2-CD1 4.3Å; F467-Y470 HydrophobicContact CE2-CD1 4.41Å; F467-K471 HydrophobicContact CE1-CD 3.93Å; F467-K471 HydrophobicContact CZ-CD 4.18Å; F467-K471 VanDerWaalsContact O-CB 3.28Å; F467-K471 WeakPolarHBondContact O-CB 3.28Å; F467-K471 PolarHBondContact O-N 3.08Å
468	G	72.9	Confident	69.4	Low	51 Å²	51	76.9 Å²	76.9	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-43.7	176.4	0	0	0	0	0	112.7	S466 H472	S466-G468 PolarHBondContact O-N 2.93Å; G468-H472 WeakPolarHBondContact O-CB 3.5Å; G468-H472 PolarHBondContact O-N 3.14Å
469	E	70.3	Confident	69.3	Low	81 Å²	81	70.7 Å²	70.7	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-44.9	173.5	-68.4	157.7	150.7	0	0	110.5	F464 T465 S466 H472 H473	F464-E469 HydrophobicContact CB-CB 4.12Å; F464-E469 HydrophobicContact CD1-CB 3.95Å; F464-E469 HydrophobicContact CG-CB 4.33Å; T465-E469 PolarHBondContact N-OE2 3.4Å; T465-E469 PolarHBondContact OG1-OE2 2.84Å; S466-E469 WeakPolarHBondContact CB-OE2 3.34Å; S466-E469 PolarHBondContact N-OE2 2.91Å; S466-E469 PolarHBondContact O-N 2.93Å; S466-E469 VanDerWaalsContact OG-CG 3.24Å; S466-E469 WeakPolarHBondContact OG-CG 3.13Å; S466-E469 PolarHBondContact OG-N 3.1Å; S466-E469 PolarHBondContact OG-OE2 3.37Å; E469-H472 PolarHBondContact O-N 3.41Å; E469-H473 WeakPolarHBondContact O-CB 3.26Å; E469-H473 PolarHBondContact O-N 3.03Å
470	Y	77.6	Confident	68.8	Low	61 Å²	61	69.8 Å²	69.8	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-48.8	175.6	177	-112.3	0	0	0	112.9	F455 C457 F464 S466 F467 H472 H473 M474	F455-Y470 HydrophobicContact CB-CD2 4.19Å; F455-Y470 HydrophobicContact CB-CG 3.93Å; C457-Y470 HydrophobicContact CB-CE2 4.39Å; F464-Y470 AromaticContact CD2-CD2 3.85Å; F464-Y470 HydrophobicContact CD2-CD2 3.85Å; F464-Y470 HydrophobicContact CD2-CG 4.49Å; F464-Y470 HydrophobicContact CE2-CD2 4.19Å; S466-Y470 PolarHBondContact O-N 3.44Å; F467-Y470 HydrophobicContact CD2-CD1 4.3Å; F467-Y470 HydrophobicContact CE2-CD1 4.41Å; Y470-H472 VanDerWaalsContact C-N 3.3Å; Y470-H472 PolarHBondContact O-N 3.01Å; Y470-H473 WeakPolarHBondContact O-CB 3.23Å; Y470-H473 PolarHBondContact O-N 3.15Å; Y470-M474 HydrophobicContact CD1-CG 4.48Å; Y470-M474 HydrophobicContact CD2-CG 4.31Å; Y470-M474 HydrophobicContact CE1-CG 4.11Å; Y470-M474 HydrophobicContact CE2-CE 4.27Å; Y470-M474 HydrophobicContact CE2-CG 3.92Å; Y470-M474 HydrophobicContact CE2-SD 4.2Å; Y470-M474 WeakPolarHBondContact O-CG 3.5Å; Y470-M474 PolarHBondContact O-N 3.42Å
471	K	74.9	Confident	68.1	Low	112 Å²	112	72.6 Å²	72.6	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-69.6	-25.8	179	-167.3	161.7	-172.1	162.5	0	112.7	F467 R475	F467-K471 HydrophobicContact CE1-CD 3.93Å; F467-K471 HydrophobicContact CZ-CD 4.18Å; F467-K471 VanDerWaalsContact O-CB 3.28Å; F467-K471 WeakPolarHBondContact O-CB 3.28Å; F467-K471 PolarHBondContact O-N 3.08Å; K471-R475 PolarHBondContact O-N 3.31Å
472	H	72.3	Confident	67	Low	110 Å²	110	77.3 Å²	77.3	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-71.2	-47.6	168.4	-175.9	91.9	0	0	0	111.2	G468 E469 Y470 M474 R475 V476	G468-H472 WeakPolarHBondContact O-CB 3.5Å; G468-H472 PolarHBondContact O-N 3.14Å; E469-H472 PolarHBondContact O-N 3.41Å; Y470-H472 VanDerWaalsContact C-N 3.3Å; Y470-H472 PolarHBondContact O-N 3.01Å; H472-M474 PolarHBondContact O-N 2.9Å; H472-R475 PolarHBondContact O-N 2.91Å; H472-R475 VanDerWaalsContact O-N 3.09Å; H472-V476 WeakPolarHBondContact O-CB 3.33Å; H472-V476 WeakPolarHBondContact O-CG2 3.13Å; H472-V476 PolarHBondContact O-N 3.01Å
473	H	77.1	Confident	65.7	Low	26 Å²	26	85.6 Å²	85.6	12%	0.12	40%	0.402	C	S	.	.	H	α-helix	trans	-56.4	-46.9	175.5	169.6	82.2	0	0	0	112	C457 C460 F464 E469 Y470 R475 V476 S477 H479	C457-H473 VanDerWaalsContact CB-NE2 3.33Å; C457-H473 WeakPolarHBondContact CB-NE2 3.42Å; C457-H473 PolarHBondContact SG-NE2 2.9Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C460-H473 PolarHBondContact SG-CE1 3.43Å; C460-H473 PolarHBondContact SG-NE2 3.15Å; F464-H473 HydrophobicContact CE1-CB 3.9Å; F464-H473 HydrophobicContact CE2-CB 4.06Å; F464-H473 AromaticContact CE2-CD2 3.54Å; F464-H473 AromaticContact CE2-CG 3.69Å; F464-H473 AromaticContact CE2-NE2 3.97Å; F464-H473 HydrophobicContact CZ-CB 3.57Å; F464-H473 AromaticContact CZ-CD2 3.54Å; F464-H473 AromaticContact CZ-CE1 3.78Å; F464-H473 AromaticContact CZ-CG 3.22Å; F464-H473 AromaticContact CZ-ND1 3.4Å; F464-H473 WeakPolarHBondContact CZ-ND1 3.38Å; F464-H473 AromaticContact CZ-NE2 3.88Å; E469-H473 WeakPolarHBondContact O-CB 3.26Å; E469-H473 PolarHBondContact O-N 3.03Å; Y470-H473 WeakPolarHBondContact O-CB 3.23Å; Y470-H473 PolarHBondContact O-N 3.15Å; H473-R475 VanDerWaalsContact C-N 3.28Å; H473-R475 PolarHBondContact O-N 3.29Å; H473-V476 PolarHBondContact O-N 2.99Å; H473-S477 PolarHBondContact CE1-OG 2.93Å; H473-S477 PolarHBondContact ND1-OG 3.43Å; H473-S477 WeakPolarHBondContact O-CB 3.4Å; H473-S477 PolarHBondContact O-N 3.01Å; H473-S477 PolarHBondContact O-OG 3.08Å; H473-H479 AromaticContact CE1-CE1 3.72Å; H473-H479 AromaticContact NE2-CE1 3.65Å; H473-H479 AromaticContact NE2-NE2 3.9Å
474	M	68.2	Low	64.5	Low	44 Å²	44	85.7 Å²	85.7	22%	0.217	40%	0.404	C	S	.	.	H	α-helix	trans	-59.2	-35.1	174.8	-71.8	-78.5	98.4	0	0	113.1	C457 Y470 H472 I480	C457-M474 HydrophobicContact CB-CE 4.06Å; C457-M474 WeakPolarHBondContact SG-CE 3.38Å; Y470-M474 HydrophobicContact CD1-CG 4.48Å; Y470-M474 HydrophobicContact CD2-CG 4.31Å; Y470-M474 HydrophobicContact CE1-CG 4.11Å; Y470-M474 HydrophobicContact CE2-CE 4.27Å; Y470-M474 HydrophobicContact CE2-CG 3.92Å; Y470-M474 HydrophobicContact CE2-SD 4.2Å; Y470-M474 WeakPolarHBondContact O-CG 3.5Å; Y470-M474 PolarHBondContact O-N 3.42Å; H472-M474 PolarHBondContact O-N 2.9Å; M474-I480 HydrophobicContact CB-CD1 4.39Å; M474-I480 HydrophobicContact CE-CD1 3.75Å; M474-I480 WeakPolarHBondContact O-CD1 3.33Å; M474-I480 HydrophobicContact SD-CD1 3.86Å
475	R	68.5	Low	63.4	Low	165 Å²	165	91.7 Å²	91.7	62%	0.623	43%	0.425	S	S	*	.	H	α-helix	trans	-80.8	-33.7	178.8	-170.7	-176.3	-65.5	124.8	-5.6	113.5	K471 H472 H473	K471-R475 PolarHBondContact O-N 3.31Å; H472-R475 PolarHBondContact O-N 2.91Å; H472-R475 VanDerWaalsContact O-N 3.09Å; H473-R475 VanDerWaalsContact C-N 3.28Å; H473-R475 PolarHBondContact O-N 3.29Å
476	V	64.6	Low	62.9	Low	79 Å²	79	94.5 Å²	94.5	48%	0.479	44%	0.439	S	S	.	.	H	α-helix	trans	-104.1	-14.6	-166.8	179.6	0	0	0	0	112.8	H472 H473 I481	H472-V476 WeakPolarHBondContact O-CB 3.33Å; H472-V476 WeakPolarHBondContact O-CG2 3.13Å; H472-V476 PolarHBondContact O-N 3.01Å; H473-V476 PolarHBondContact O-N 2.99Å; V476-I481 WeakPolarHBondContact O-CD1 3.49Å
477	S	64.4	Low	62.5	Low	18 Å²	18	94.7 Å²	94.7	13%	0.126	44%	0.435	C	S	.	.			trans	-72	141.2	-176.1	-66.8	0	0	0	0	114.1	H473 H479 I480 I481	H473-S477 PolarHBondContact CE1-OG 2.93Å; H473-S477 PolarHBondContact ND1-OG 3.43Å; H473-S477 WeakPolarHBondContact O-CB 3.4Å; H473-S477 PolarHBondContact O-N 3.01Å; H473-S477 PolarHBondContact O-OG 3.08Å; S477-H479 WeakPolarHBondContact CB-CE1 3.32Å; S477-H479 PolarHBondContact O-N 3.25Å; S477-H479 VanDerWaalsContact O-N 3.12Å; S477-I480 PolarHBondContact O-N 3.2Å; S477-I481 PolarHBondContact O-N 3.12Å
478	R	50.3	Low	62	Low	206 Å²	206	95.1 Å²	95.1	78%	0.777	44%	0.438	S	S	*	.	H	α-helix	trans	-61.7	-22.2	-176.8	-159.4	172.1	-175.4	138	-5.4	113.6	I480	R478-I480 VanDerWaalsContact C-N 3.3Å
479	H	60.6	Low	61.8	Low	41 Å²	41	92.7 Å²	92.7	19%	0.19	41%	0.413	C	S	.	.	H	α-helix	trans	-82.8	5.2	175.6	61.8	-106.9	0	0	0	114.5	I459 C460 H473 S477 P484	I459-H479 HydrophobicContact CG2-CB 4.12Å; C460-H479 PolarHBondContact SG-CE1 2.93Å; H473-H479 AromaticContact CE1-CE1 3.72Å; H473-H479 AromaticContact NE2-CE1 3.65Å; H473-H479 AromaticContact NE2-NE2 3.9Å; S477-H479 WeakPolarHBondContact CB-CE1 3.32Å; S477-H479 PolarHBondContact O-N 3.25Å; S477-H479 VanDerWaalsContact O-N 3.12Å; H479-P484 WeakPolarHBondContact O-CG 3.18Å
480	I	55.1	Low	61.3	Low	74 Å²	74	96.2 Å²	96.2	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-124.8	-33.5	171.5	-72.7	161.3	0	0	0	111.3	I459 M474 S477 R478 R482	I459-I480 HydrophobicContact CD1-CD1 4.42Å; I459-I480 HydrophobicContact CD1-CG1 4.42Å; M474-I480 HydrophobicContact CB-CD1 4.39Å; M474-I480 HydrophobicContact CE-CD1 3.75Å; M474-I480 WeakPolarHBondContact O-CD1 3.33Å; M474-I480 HydrophobicContact SD-CD1 3.86Å; S477-I480 PolarHBondContact O-N 3.2Å; R478-I480 VanDerWaalsContact C-N 3.3Å; I480-R482 VanDerWaalsContact C-N 3.34Å; I480-R482 PolarHBondContact O-N 3.44Å
481	I	54.4	Low	60.6	Low	109 Å²	109	97.4 Å²	97.4	56%	0.559	44%	0.441	S	S	*	.	H	α-helix	trans	-69.7	-24.6	-176.6	-67.1	177.1	0	0	0	114.1	V476 S477	V476-I481 WeakPolarHBondContact O-CD1 3.49Å; S477-I481 PolarHBondContact O-N 3.12Å
482	R	45.9	Very low	60.2	Low	170 Å²	170	95.5 Å²	95.5	64%	0.642	44%	0.44	S	S	*	.	S	Bend	trans	-116.4	131.3	165.8	-72.3	-179.7	173.8	78.6	-1.8	107	I480 P484	I480-R482 VanDerWaalsContact C-N 3.34Å; I480-R482 PolarHBondContact O-N 3.44Å; R482-P484 WeakPolarHBondContact O-CD 3.35Å; R482-P484 WeakPolarHBondContact O-CG 3.17Å
483	K	43.1	Very low	59.6	Low	206 Å²	206	92.1 Å²	92.1	90%	0.896	44%	0.435	S	S	*	.			trans	-47.9	105.7	173	-77.3	-169.8	175	-171.5	0	109.1	R485	K483-R485 PolarHBondContact O-N 3.15Å
484	P	47.5	Very low	58.9	Low	58 Å²	58	92.4 Å²	92.4	38%	0.377	44%	0.443	S	S	.	.			trans	-81.4	110.3	175.5	2.4	17	0	0	0	105.5	H479 R482 I486	H479-P484 WeakPolarHBondContact O-CG 3.18Å; R482-P484 WeakPolarHBondContact O-CD 3.35Å; R482-P484 WeakPolarHBondContact O-CG 3.17Å; P484-I486 HydrophobicContact CB-CG1 4.02Å; P484-I486 PolarHBondContact O-N 3.1Å
485	R	51.6	Low	58.8	Low	162 Å²	162	97 Å²	97	61%	0.611	47%	0.465	S	S	*	.			trans	-68.4	96.9	152.6	-71.4	-176.4	175	168.1	-8.3	105	K483 Y487	K483-R485 PolarHBondContact O-N 3.15Å; R485-Y487 HydrophobicContact CB-CD2 4.04Å; R485-Y487 HydrophobicContact CB-CE1 4.49Å; R485-Y487 HydrophobicContact CB-CE2 3.38Å; R485-Y487 WeakPolarHBondContact CD-OH 3.33Å; R485-Y487 HydrophobicContact CG-CE2 4.49Å; R485-Y487 WeakPolarHBondContact O-CD2 3.34Å; R485-Y487 WeakPolarHBondContact O-CE2 3.15Å; R485-Y487 PolarHBondContact O-N 3.4Å
486	I	58.6	Low	58.7	Low	83 Å²	83	91 Å²	91	43%	0.426	44%	0.444	S	S	.	.			trans	-73.8	120.3	169.3	-56.5	-177.2	0	0	0	105.3	P484 M495	P484-I486 HydrophobicContact CB-CG1 4.02Å; P484-I486 PolarHBondContact O-N 3.1Å; I486-M495 HydrophobicContact CG2-CB 3.89Å; I486-M495 HydrophobicContact CG2-CG 3.95Å; I486-M495 HydrophobicContact CG2-SD 4.04Å
487	Y	61.2	Low	58.5	Low	38 Å²	38	92.9 Å²	92.9	15%	0.149	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	101.3	-176.5	-76.8	-75.8	0	0	0	107.9	R485 F496 S499 L502 F520	R485-Y487 HydrophobicContact CB-CD2 4.04Å; R485-Y487 HydrophobicContact CB-CE1 4.49Å; R485-Y487 HydrophobicContact CB-CE2 3.38Å; R485-Y487 WeakPolarHBondContact CD-OH 3.33Å; R485-Y487 HydrophobicContact CG-CE2 4.49Å; R485-Y487 WeakPolarHBondContact O-CD2 3.34Å; R485-Y487 WeakPolarHBondContact O-CE2 3.15Å; R485-Y487 PolarHBondContact O-N 3.4Å; Y487-F496 PolarHBondContact N-O 3.07Å; Y487-F496 WeakPolarHBondContact O-CD2 3.5Å; Y487-F496 PolarHBondContact O-N 3.3Å; Y487-S499 VanDerWaalsContact CD2-N 3.33Å; Y487-L502 HydrophobicContact CD1-CD2 4.14Å; Y487-L502 HydrophobicContact CG-CD2 4.35Å; Y487-F520 HydrophobicContact CE1-CE1 4.07Å
488	E	62.1	Low	58.4	Low	103 Å²	103	95.6 Å²	95.6	48%	0.481	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.4	174.8	-168.3	179.5	163.4	0	0	110.7	A494 Y519	E488-A494 WeakPolarHBondContact CA-O 3.5Å; E488-Y519 PolarHBondContact O-OH 3.48Å
489	C	70.3	Confident	59	Low	1 Å²	1	87.6 Å²	87.6	1%	0.007	44%	0.444	C	S	.	.			trans	-87.4	108	167	176.3	0	0	0	0	109.9	T491 C492 G493 A494 F496 L502 H505 L506	C489-T491 PolarHBondContact O-N 2.91Å; C489-T491 VanDerWaalsContact O-N 3.09Å; C489-C492 PolarHBondContact O-N 3.46Å; C489-C492 VanDerWaalsContact O-N 3.08Å; C489-C492 VanDerWaalsContact SG-SG 3.63Å; C489-G493 WeakPolarHBondContact O-CA 3.3Å; C489-G493 PolarHBondContact O-N 2.9Å; C489-A494 PolarHBondContact N-O 3.35Å; C489-F496 HydrophobicContact CB-CE2 4.28Å; C489-L502 HydrophobicContact CB-CD1 3.73Å; C489-H505 PolarHBondContact SG-NE2 3.35Å; C489-H505 VanDerWaalsContact SG-NE2 3.39Å; C489-L506 VanDerWaalsContact SG-CD2 3.58Å
490	K	59.5	Low	59.4	Low	155 Å²	155	87 Å²	87	67%	0.674	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.4	178.1	-67	-177.9	-170.6	179.5	0	114	Y519	K490-Y519 HydrophobicContact CD-CE2 3.87Å; K490-Y519 HydrophobicContact CG-CE2 4.15Å
491	T	61.7	Low	60.2	Low	86 Å²	86	87.3 Å²	87.3	53%	0.528	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-19.4	178.9	-32	0	0	0	0	113.4	C489 H511	C489-T491 PolarHBondContact O-N 2.91Å; C489-T491 VanDerWaalsContact O-N 3.09Å; T491-H511 PolarHBondContact OG1-NE2 3.4Å
492	C	66.6	Low	60.9	Low	71 Å²	71	82.2 Å²	82.2	48%	0.48	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.2	3.3	-177	74.5	0	0	0	0	116.9	C489 A494 H505	C489-C492 PolarHBondContact O-N 3.46Å; C489-C492 VanDerWaalsContact O-N 3.08Å; C489-C492 VanDerWaalsContact SG-SG 3.63Å; C492-A494 PolarHBondContact O-N 2.72Å; C492-A494 VanDerWaalsContact SG-CB 3.51Å; C492-H505 VanDerWaalsContact SG-CE1 3.54Å; C492-H505 PolarHBondContact SG-NE2 3.06Å
493	G	60.3	Low	62.1	Low	39 Å²	39	76.5 Å²	76.5	40%	0.402	41%	0.407	S	S	.	.			trans	70.7	2.9	-179.4	0	0	0	0	0	115.6	C489 M495	C489-G493 WeakPolarHBondContact O-CA 3.3Å; C489-G493 PolarHBondContact O-N 2.9Å; G493-M495 PolarHBondContact O-N 3.14Å
494	A	61.6	Low	63.5	Low	33 Å²	33	71 Å²	71	27%	0.273	39%	0.391	S	S	.	.			trans	-69.8	125.6	-179	0	0	0	0	0	111.8	E488 C489 C492 F496	E488-A494 WeakPolarHBondContact CA-O 3.5Å; C489-A494 PolarHBondContact N-O 3.35Å; C492-A494 PolarHBondContact O-N 2.72Å; C492-A494 VanDerWaalsContact SG-CB 3.51Å; A494-F496 HydrophobicContact CB-CE2 3.6Å; A494-F496 HydrophobicContact CB-CZ 3.79Å; A494-F496 WeakPolarHBondContact O-CD2 3.39Å; A494-F496 WeakPolarHBondContact O-CE2 3.48Å
495	M	66.6	Low	64.7	Low	139 Å²	139	70.2 Å²	70.2	69%	0.685	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.3	179	-73.7	-174.6	-80.8	0	0	112.3	I486 G493	I486-M495 HydrophobicContact CG2-CB 3.89Å; I486-M495 HydrophobicContact CG2-CG 3.95Å; I486-M495 HydrophobicContact CG2-SD 4.04Å; G493-M495 PolarHBondContact O-N 3.14Å
496	F	67.8	Low	65.4	Low	41 Å²	41	63.2 Å²	63.2	18%	0.18	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.1	178.9	-60.1	-85	0	0	0	112.1	Y487 C489 A494 N498 N501 L502 H505	Y487-F496 PolarHBondContact N-O 3.07Å; Y487-F496 WeakPolarHBondContact O-CD2 3.5Å; Y487-F496 PolarHBondContact O-N 3.3Å; C489-F496 HydrophobicContact CB-CE2 4.28Å; A494-F496 HydrophobicContact CB-CE2 3.6Å; A494-F496 HydrophobicContact CB-CZ 3.79Å; A494-F496 WeakPolarHBondContact O-CD2 3.39Å; A494-F496 WeakPolarHBondContact O-CE2 3.48Å; F496-N498 VanDerWaalsContact C-N 3.29Å; F496-N498 PolarHBondContact O-N 2.84Å; F496-N501 HydrophobicContact CB-CB 4.34Å; F496-N501 HydrophobicContact CD1-CB 3.87Å; F496-N501 HydrophobicContact CG-CB 4.42Å; F496-L502 HydrophobicContact CB-CB 4.26Å; F496-L502 HydrophobicContact CD2-CB 4.03Å; F496-L502 HydrophobicContact CD2-CD1 3.72Å; F496-L502 HydrophobicContact CD2-CG 4.49Å; F496-L502 HydrophobicContact CE2-CD1 3.94Å; F496-L502 HydrophobicContact CG-CB 4.25Å; F496-H505 HydrophobicContact CE1-CB 4.04Å; F496-H505 HydrophobicContact CE2-CB 4.08Å; F496-H505 AromaticContact CE2-CD2 3.43Å; F496-H505 VanDerWaalsContact CE2-CD2 3.43Å; F496-H505 WeakPolarHBondContact CE2-CD2 3.35Å; F496-H505 AromaticContact CE2-CG 3.73Å; F496-H505 AromaticContact CE2-NE2 3.95Å; F496-H505 HydrophobicContact CZ-CB 3.57Å; F496-H505 AromaticContact CZ-CD2 3.52Å; F496-H505 AromaticContact CZ-CG 3.32Å; F496-H505 AromaticContact CZ-ND1 3.74Å; F496-H505 AromaticContact CZ-NE2 4Å
497	T	58.9	Low	65.8	Low	117 Å²	117	66.4 Å²	66.4	72%	0.718	36%	0.363	S	S	*	.	S	Bend	trans	-86.7	5	178.8	51.9	0	0	0	0	114
498	N	62.5	Low	66.1	Low	76 Å²	76	69.2 Å²	69.2	41%	0.406	39%	0.388	S	S	.	.	S	Bend	trans	-152.8	134.4	-176.6	178.8	18.3	0	0	0	109.7	F496 G500 N501 L502	F496-N498 VanDerWaalsContact C-N 3.29Å; F496-N498 PolarHBondContact O-N 2.84Å; N498-G500 VanDerWaalsContact C-N 3.27Å; N498-G500 PolarHBondContact O-N 2.86Å; N498-G500 PolarHBondContact OD1-N 2.88Å; N498-N501 HydrophobicContact CB-CB 4.35Å; N498-N501 PolarHBondContact ND2-OD1 2.87Å; N498-N501 PolarHBondContact O-N 3.42Å; N498-N501 VanDerWaalsContact O-N 3.13Å; N498-L502 PolarHBondContact O-N 3.2Å
499	S	63.5	Low	66.3	Low	37 Å²	37	67.9 Å²	67.9	26%	0.259	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-36.8	176.1	47.6	0	0	0	0	112	Y487 N501 L502 I503	Y487-S499 VanDerWaalsContact CD2-N 3.33Å; S499-N501 PolarHBondContact O-N 3.44Å; S499-L502 PolarHBondContact O-N 3.08Å; S499-I503 WeakPolarHBondContact O-CB 3.45Å; S499-I503 WeakPolarHBondContact O-CD1 3.46Å; S499-I503 VanDerWaalsContact O-CG1 3.22Å; S499-I503 WeakPolarHBondContact O-CG1 3.22Å; S499-I503 PolarHBondContact O-N 3.44Å
500	G	69.8	Low	65.8	Low	30 Å²	30	74.9 Å²	74.9	31%	0.309	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-36.6	176.3	0	0	0	0	0	112.6	N498 I503 V504	N498-G500 VanDerWaalsContact C-N 3.27Å; N498-G500 PolarHBondContact O-N 2.86Å; N498-G500 PolarHBondContact OD1-N 2.88Å; G500-I503 PolarHBondContact O-N 2.91Å; G500-V504 WeakPolarHBondContact O-CG2 3.32Å; G500-V504 PolarHBondContact O-N 3.03Å
501	N	70.2	Confident	65.8	Low	80 Å²	80	70.3 Å²	70.3	43%	0.428	40%	0.402	S	S	.	.	H	α-helix	trans	-73.3	-41.4	178.7	-63	31.7	0	0	0	111.1	F496 N498 S499 I503 V504 H505	F496-N501 HydrophobicContact CB-CB 4.34Å; F496-N501 HydrophobicContact CD1-CB 3.87Å; F496-N501 HydrophobicContact CG-CB 4.42Å; N498-N501 HydrophobicContact CB-CB 4.35Å; N498-N501 PolarHBondContact ND2-OD1 2.87Å; N498-N501 PolarHBondContact O-N 3.42Å; N498-N501 VanDerWaalsContact O-N 3.13Å; S499-N501 PolarHBondContact O-N 3.44Å; N501-I503 VanDerWaalsContact C-N 3.34Å; N501-I503 PolarHBondContact O-N 2.96Å; N501-V504 PolarHBondContact O-N 3.11Å; N501-H505 WeakPolarHBondContact O-CB 3.46Å; N501-H505 PolarHBondContact O-N 2.87Å
502	L	70.4	Confident	65.4	Low	2 Å²	2	73 Å²	73	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-60.3	-43.3	171.8	177.1	66.6	0	0	0	111.1	Y487 C489 F496 N498 S499 V504 H505 L506 Y519	Y487-L502 HydrophobicContact CD1-CD2 4.14Å; Y487-L502 HydrophobicContact CG-CD2 4.35Å; C489-L502 HydrophobicContact CB-CD1 3.73Å; F496-L502 HydrophobicContact CB-CB 4.26Å; F496-L502 HydrophobicContact CD2-CB 4.03Å; F496-L502 HydrophobicContact CD2-CD1 3.72Å; F496-L502 HydrophobicContact CD2-CG 4.49Å; F496-L502 HydrophobicContact CE2-CD1 3.94Å; F496-L502 HydrophobicContact CG-CB 4.25Å; N498-L502 PolarHBondContact O-N 3.2Å; S499-L502 PolarHBondContact O-N 3.08Å; L502-V504 VanDerWaalsContact C-N 3.32Å; L502-V504 PolarHBondContact O-N 3.3Å; L502-H505 PolarHBondContact O-N 2.94Å; L502-L506 HydrophobicContact CD1-CD1 3.87Å; L502-L506 HydrophobicContact CD1-CD2 4.36Å; L502-L506 HydrophobicContact CD1-CG 3.83Å; L502-L506 HydrophobicContact CD2-CD1 4.09Å; L502-L506 HydrophobicContact CG-CD1 3.7Å; L502-L506 HydrophobicContact CG-CG 4.09Å; L502-L506 WeakPolarHBondContact O-CB 3.3Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 2.9Å; L502-Y519 HydrophobicContact CD2-CE1 4.35Å
503	I	69.7	Low	64.6	Low	50 Å²	50	73.6 Å²	73.6	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-71.3	-25.4	-178	-63.8	161.7	0	0	0	112.2	S499 G500 N501 R507 F520	S499-I503 WeakPolarHBondContact O-CB 3.45Å; S499-I503 WeakPolarHBondContact O-CD1 3.46Å; S499-I503 VanDerWaalsContact O-CG1 3.22Å; S499-I503 WeakPolarHBondContact O-CG1 3.22Å; S499-I503 PolarHBondContact O-N 3.44Å; G500-I503 PolarHBondContact O-N 2.91Å; N501-I503 VanDerWaalsContact C-N 3.34Å; N501-I503 PolarHBondContact O-N 2.96Å; I503-R507 WeakPolarHBondContact O-CB 3.38Å; I503-R507 WeakPolarHBondContact O-CG 3.39Å; I503-R507 PolarHBondContact O-N 3.36Å; I503-R507 PolarHBondContact O-NE 2.94Å; I503-F520 HydrophobicContact CD1-CE2 4.33Å; I503-F520 HydrophobicContact CD1-CZ 4.18Å
504	V	73.3	Confident	64.2	Low	90 Å²	90	74.9 Å²	74.9	55%	0.545	42%	0.422	S	S	.	.	H	α-helix	trans	-73.8	-44.6	167.8	169	0	0	0	0	110.5	G500 N501 L502 R507 S508	G500-V504 WeakPolarHBondContact O-CG2 3.32Å; G500-V504 PolarHBondContact O-N 3.03Å; N501-V504 PolarHBondContact O-N 3.11Å; L502-V504 VanDerWaalsContact C-N 3.32Å; L502-V504 PolarHBondContact O-N 3.3Å; V504-R507 PolarHBondContact O-N 3.05Å; V504-S508 PolarHBondContact O-N 3.23Å
505	H	73.2	Confident	63.7	Low	42 Å²	42	78.5 Å²	78.5	19%	0.194	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-47.2	178.1	168.7	74.4	0	0	0	112.9	C489 C492 F496 N501 L502 R507 S508 L509	C489-H505 PolarHBondContact SG-NE2 3.35Å; C489-H505 VanDerWaalsContact SG-NE2 3.39Å; C492-H505 VanDerWaalsContact SG-CE1 3.54Å; C492-H505 PolarHBondContact SG-NE2 3.06Å; F496-H505 HydrophobicContact CE1-CB 4.04Å; F496-H505 HydrophobicContact CE2-CB 4.08Å; F496-H505 AromaticContact CE2-CD2 3.43Å; F496-H505 VanDerWaalsContact CE2-CD2 3.43Å; F496-H505 WeakPolarHBondContact CE2-CD2 3.35Å; F496-H505 AromaticContact CE2-CG 3.73Å; F496-H505 AromaticContact CE2-NE2 3.95Å; F496-H505 HydrophobicContact CZ-CB 3.57Å; F496-H505 AromaticContact CZ-CD2 3.52Å; F496-H505 AromaticContact CZ-CG 3.32Å; F496-H505 AromaticContact CZ-ND1 3.74Å; F496-H505 AromaticContact CZ-NE2 4Å; N501-H505 WeakPolarHBondContact O-CB 3.46Å; N501-H505 PolarHBondContact O-N 2.87Å; L502-H505 PolarHBondContact O-N 2.94Å; H505-R507 VanDerWaalsContact C-N 3.32Å; H505-R507 PolarHBondContact O-N 3.49Å; H505-S508 CarbonylContact O-C 3.59Å; H505-S508 WeakPolarHBondContact O-CA 3.23Å; H505-S508 WeakPolarHBondContact O-CB 3.43Å; H505-S508 PolarHBondContact O-N 3.38Å; H505-L509 PolarHBondContact O-N 3.06Å; H505-L509 VanDerWaalsContact O-N 3.08Å
506	L	66.5	Low	63.1	Low	15 Å²	15	73.3 Å²	73.3	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-63.9	-35	177.1	-69.6	172.7	0	0	0	112.5	C489 L502 S508 L509 N510 H511 L516	C489-L506 VanDerWaalsContact SG-CD2 3.58Å; L502-L506 HydrophobicContact CD1-CD1 3.87Å; L502-L506 HydrophobicContact CD1-CD2 4.36Å; L502-L506 HydrophobicContact CD1-CG 3.83Å; L502-L506 HydrophobicContact CD2-CD1 4.09Å; L502-L506 HydrophobicContact CG-CD1 3.7Å; L502-L506 HydrophobicContact CG-CG 4.09Å; L502-L506 WeakPolarHBondContact O-CB 3.3Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 2.9Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-L509 PolarHBondContact O-N 2.81Å; L506-N510 PolarHBondContact O-N 3.48Å; L506-H511 PolarHBondContact O-N 3.44Å; L506-L516 HydrophobicContact CB-CD2 3.86Å; L506-L516 HydrophobicContact CD1-CD2 3.56Å; L506-L516 HydrophobicContact CG-CD2 4.3Å
507	R	67.2	Low	62.2	Low	149 Å²	149	74.2 Å²	74.2	56%	0.562	42%	0.423	S	S	*	.	H	α-helix	trans	-68.8	-31.8	170.8	-79.3	-176	-72.2	174.6	-2.7	112.7	I503 V504 H505 L509 N510 L516	I503-R507 WeakPolarHBondContact O-CB 3.38Å; I503-R507 WeakPolarHBondContact O-CG 3.39Å; I503-R507 PolarHBondContact O-N 3.36Å; I503-R507 PolarHBondContact O-NE 2.94Å; V504-R507 PolarHBondContact O-N 3.05Å; H505-R507 VanDerWaalsContact C-N 3.32Å; H505-R507 PolarHBondContact O-N 3.49Å; R507-L509 PolarHBondContact O-N 3.29Å; R507-N510 PolarHBondContact O-N 3.23Å; R507-L516 HydrophobicContact CG-CD1 4.43Å
508	S	66.6	Low	61.6	Low	97 Å²	97	73.4 Å²	73.4	68%	0.678	41%	0.414	S	S	*	.	H	α-helix	trans	-72.3	-11.7	171.2	-168	0	0	0	0	113.7	V504 H505 L506	V504-S508 PolarHBondContact O-N 3.23Å; H505-S508 CarbonylContact O-C 3.59Å; H505-S508 WeakPolarHBondContact O-CA 3.23Å; H505-S508 WeakPolarHBondContact O-CB 3.43Å; H505-S508 PolarHBondContact O-N 3.38Å; L506-S508 VanDerWaalsContact C-N 3.34Å
509	L	65.8	Low	61.1	Low	75 Å²	75	72.7 Å²	72.7	39%	0.393	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	7.7	171.8	-67.3	176.4	0	0	0	112.5	H505 L506 R507 H511	H505-L509 PolarHBondContact O-N 3.06Å; H505-L509 VanDerWaalsContact O-N 3.08Å; L506-L509 PolarHBondContact O-N 2.81Å; R507-L509 PolarHBondContact O-N 3.29Å; L509-H511 PolarHBondContact O-N 2.97Å; L509-H511 VanDerWaalsContact O-N 3.16Å
510	N	60.3	Low	60.5	Low	149 Å²	149	75.6 Å²	75.6	80%	0.797	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	24.8	179.8	-65.9	-20.1	0	0	0	115.9	L506 R507	L506-N510 PolarHBondContact O-N 3.48Å; R507-N510 PolarHBondContact O-N 3.23Å
511	H	59.8	Low	59.4	Low	58 Å²	58	82.3 Å²	82.3	27%	0.269	44%	0.438	S	S	.	.			trans	-64.5	135.2	168.4	-83.6	-88.2	0	0	0	110.6	T491 L506 L509 E515	T491-H511 PolarHBondContact OG1-NE2 3.4Å; L506-H511 PolarHBondContact O-N 3.44Å; L509-H511 PolarHBondContact O-N 2.97Å; L509-H511 VanDerWaalsContact O-N 3.16Å; H511-E515 IonicContact CE1-OE2 3.15Å; H511-E515 IonicContact CG-OE2 2.54Å; H511-E515 IonicContact ND1-OE2 2.86Å; H511-E515 PolarHBondContact ND1-OE2 3.04Å
512	E	52.3	Low	58.3	Low	143 Å²	143	82.4 Å²	82.4	67%	0.668	45%	0.445	S	S	*	.			trans	-64.8	146.7	179.7	-67.6	-161.2	158.8	0	0	112.1	S514 E515	E512-S514 VanDerWaalsContact CB-OG 3.28Å; E512-S514 WeakPolarHBondContact CB-OG 3.44Å; E512-S514 PolarHBondContact O-N 2.93Å; E512-S514 PolarHBondContact OE2-OG 3.23Å; E512-E515 PolarHBondContact O-N 3.09Å; E512-E515 VanDerWaalsContact O-N 3.15Å
513	A	50.9	Low	57	Low	83 Å²	83	84.8 Å²	84.8	69%	0.686	46%	0.462	S	S	*	.	H	α-helix	trans	-63.4	-16.8	-177.1	0	0	0	0	0	114
514	S	51.4	Low	55.5	Low	66 Å²	66	89.8 Å²	89.8	46%	0.462	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-48	172.4	44.4	0	0	0	0	112.5	E512 L516 A517	E512-S514 VanDerWaalsContact CB-OG 3.28Å; E512-S514 WeakPolarHBondContact CB-OG 3.44Å; E512-S514 PolarHBondContact O-N 2.93Å; E512-S514 PolarHBondContact OE2-OG 3.23Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact O-N 2.97Å; S514-A517 PolarHBondContact O-N 3.03Å
515	E	51.4	Low	53.9	Low	109 Å²	109	93.2 Å²	93.2	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-67.7	-34.6	179.4	-61.4	-165.5	124.9	0	0	112.1	H511 E512 A517 N518 Y519	H511-E515 IonicContact CE1-OE2 3.15Å; H511-E515 IonicContact CG-OE2 2.54Å; H511-E515 IonicContact ND1-OE2 2.86Å; H511-E515 PolarHBondContact ND1-OE2 3.04Å; E512-E515 PolarHBondContact O-N 3.09Å; E512-E515 VanDerWaalsContact O-N 3.15Å; E515-A517 PolarHBondContact O-N 3.5Å; E515-N518 PolarHBondContact O-N 3.05Å; E515-Y519 PolarHBondContact O-N 2.88Å; E515-Y519 VanDerWaalsContact O-N 3.08Å
516	L	54.1	Low	52.3	Low	30 Å²	30	99.1 Å²	99.1	16%	0.157	53%	0.529	C	S	.	.	H	α-helix	trans	-62.4	-30	178.6	-59.1	-177.2	0	0	0	112.8	L506 R507 S514 F520	L506-L516 HydrophobicContact CB-CD2 3.86Å; L506-L516 HydrophobicContact CD1-CD2 3.56Å; L506-L516 HydrophobicContact CG-CD2 4.3Å; R507-L516 HydrophobicContact CG-CD1 4.43Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact O-N 2.97Å; L516-F520 WeakPolarHBondContact O-CD2 3.42Å
517	A	47.4	Very low	51	Low	60 Å²	60	103.6 Å²	103.6	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-70.7	-45.7	175.2	0	0	0	0	0	111.5	S514 E515 Y519 F520	S514-A517 PolarHBondContact O-N 3.03Å; E515-A517 PolarHBondContact O-N 3.5Å; A517-Y519 VanDerWaalsContact C-N 3.32Å; A517-Y519 PolarHBondContact O-N 2.84Å; A517-F520 PolarHBondContact O-N 3.35Å
518	N	48.3	Very low	49.6	Very low	100 Å²	100	101 Å²	101	54%	0.535	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-35.4	-179.5	-68	-20	0	0	0	112.2	E515 F520 Q521 S522	E515-N518 PolarHBondContact O-N 3.05Å; N518-F520 PolarHBondContact O-N 3.14Å; N518-F520 VanDerWaalsContact O-N 3.11Å; N518-Q521 PolarHBondContact O-N 3.28Å; N518-S522 PolarHBondContact O-N 3.29Å; N518-S522 VanDerWaalsContact O-N 3.12Å
519	Y	51.9	Low	48	Very low	61 Å²	61	102.6 Å²	102.6	24%	0.239	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-57.2	-28.1	-180	-159.8	-92.8	0	0	0	114	E488 K490 L502 E515 A517	E488-Y519 PolarHBondContact O-OH 3.48Å; K490-Y519 HydrophobicContact CD-CE2 3.87Å; K490-Y519 HydrophobicContact CG-CE2 4.15Å; L502-Y519 HydrophobicContact CD2-CE1 4.35Å; E515-Y519 PolarHBondContact O-N 2.88Å; E515-Y519 VanDerWaalsContact O-N 3.08Å; A517-Y519 VanDerWaalsContact C-N 3.32Å; A517-Y519 PolarHBondContact O-N 2.84Å
520	F	49.9	Very low	46.7	Very low	99 Å²	99	108 Å²	108	43%	0.434	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-8.9	176.8	-72.3	-75.1	0	0	0	114.4	Y487 I503 L516 A517 N518	Y487-F520 HydrophobicContact CE1-CE1 4.07Å; I503-F520 HydrophobicContact CD1-CE2 4.33Å; I503-F520 HydrophobicContact CD1-CZ 4.18Å; L516-F520 WeakPolarHBondContact O-CD2 3.42Å; A517-F520 PolarHBondContact O-N 3.35Å; N518-F520 PolarHBondContact O-N 3.14Å; N518-F520 VanDerWaalsContact O-N 3.11Å
521	Q	46.1	Very low	45.6	Very low	171 Å²	171	109 Å²	109	80%	0.799	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-24.7	173.8	-74.1	-176.2	-30.6	0	0	112.8	N518	N518-Q521 PolarHBondContact O-N 3.28Å
522	S	47.4	Very low	44.4	Very low	81 Å²	81	113.7 Å²	113.7	57%	0.566	61%	0.608	S	S	*	*	S	Bend	trans	-107.2	21.4	179.9	80.3	0	0	0	0	114.3	N518 D524	N518-S522 PolarHBondContact O-N 3.29Å; N518-S522 VanDerWaalsContact O-N 3.12Å; S522-D524 PolarHBondContact O-N 3.45Å
523	S	43.4	Very low	43.4	Very low	53 Å²	53	113.1 Å²	113.1	37%	0.371	61%	0.605	S	S	.	*			trans	-91.6	88.9	-179.8	68.1	0	0	0	0	111.4	F525	S523-F525 PolarHBondContact O-N 2.92Å
524	D	38.5	Very low	42.6	Very low	154 Å²	154	118.8 Å²	118.8	82%	0.824	62%	0.618	S	S	*	*			trans	-56.3	134.5	166.3	-80.7	-53.8	0	0	0	110.8	S522 L526	S522-D524 PolarHBondContact O-N 3.45Å; D524-L526 PolarHBondContact O-N 3.35Å
525	F	39.2	Very low	41.5	Very low	162 Å²	162	122 Å²	122	71%	0.711	63%	0.625	S	S	*	*			trans	-80.4	87.5	-173.3	-71.3	-85.6	0	0	0	111	S523 V527	S523-F525 PolarHBondContact O-N 2.92Å; F525-V527 VanDerWaalsContact C-N 3.28Å; F525-V527 PolarHBondContact O-N 3.24Å
526	L	40.4	Very low	40.7	Very low	167 Å²	167	125.1 Å²	125.1	87%	0.874	64%	0.64	S	S	*	*			trans	-63.3	91.1	164.4	-67.4	-176.9	0	0	0	110.3	D524 P528	D524-L526 PolarHBondContact O-N 3.35Å; L526-P528 WeakPolarHBondContact O-CD 3.41Å
527	V	38.2	Very low	40	Very low	108 Å²	108	132.8 Å²	132.8	66%	0.655	68%	0.675	S	S	*	*			trans	-80.8	119.1	155.9	178.2	0	0	0	0	106.2	F525 D529	F525-V527 VanDerWaalsContact C-N 3.28Å; F525-V527 PolarHBondContact O-N 3.24Å; V527-D529 PolarHBondContact O-N 3.11Å
528	P	38.6	Very low	39.3	Very low	96 Å²	96	136 Å²	136	62%	0.623	69%	0.688	S	S	*	*			trans	-66.5	124.1	172.1	-20.1	33.5	0	0	0	109.8	L526 Y530	L526-P528 WeakPolarHBondContact O-CD 3.41Å; P528-Y530 HydrophobicContact CB-CD2 3.86Å; P528-Y530 HydrophobicContact CB-CE2 4.49Å; P528-Y530 PolarHBondContact O-N 3.09Å
529	D	31.8	Very low	38.3	Very low	129 Å²	129	140 Å²	140	69%	0.69	71%	0.709	S	S	*	*	S	Bend	trans	-66.3	9.5	-171.2	-74.3	-60.2	0	0	0	116.4	V527 L531 N532	V527-D529 PolarHBondContact O-N 3.11Å; D529-L531 PolarHBondContact O-N 3.45Å; D529-N532 PolarHBondContact O-N 3.5Å
530	Y	40.2	Very low	37.3	Very low	189 Å²	189	140.8 Å²	140.8	74%	0.741	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	20.1	-178.3	-71.6	-77.1	0	0	0	116	P528	P528-Y530 HydrophobicContact CB-CD2 3.86Å; P528-Y530 HydrophobicContact CB-CE2 4.49Å; P528-Y530 PolarHBondContact O-N 3.09Å
531	L	36.9	Very low	36.2	Very low	169 Å²	169	143.7 Å²	143.7	89%	0.885	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	1.6	170.1	-83.5	173.6	0	0	0	114.5	D529	D529-L531 PolarHBondContact O-N 3.45Å
532	N	33.2	Very low	35.2	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	75%	0.751	S	S	*	*	S	Bend	trans	-119.3	22.7	174.8	-96.5	-9.6	0	0	0	113.3	D529	D529-N532 PolarHBondContact O-N 3.5Å
533	Q	31.9	Very low	34.3	Very low	132 Å²	132	149.5 Å²	149.5	62%	0.617	76%	0.761	S	S	*	*			trans	-126.4	110.4	171.5	-150.5	173.2	38.8	0	0	111	Q535	Q533-Q535 HydrophobicContact CB-CG 4.28Å; Q533-Q535 HydrophobicContact CG-CG 3.87Å; Q533-Q535 PolarHBondContact O-N 2.93Å
534	E	34.4	Very low	33.6	Very low	202 Å²	202	155.1 Å²	155.1	94%	0.944	79%	0.786	S	S	*	*			trans	-73.7	74.3	164.9	-66.2	-172.3	116.5	0	0	108.7	E536	E534-E536 VanDerWaalsContact C-N 3.28Å; E534-E536 PolarHBondContact O-N 3.2Å
535	Q	28.5	Very low	33	Very low	133 Å²	133	151.3 Å²	151.3	62%	0.621	78%	0.783	S	S	*	*			trans	-71.3	84.8	170.6	-72.7	-169.3	-6.4	0	0	110.1	Q533	Q533-Q535 HydrophobicContact CB-CG 4.28Å; Q533-Q535 HydrophobicContact CG-CG 3.87Å; Q533-Q535 PolarHBondContact O-N 2.93Å
536	E	34.3	Very low	32.3	Very low	175 Å²	175	152.8 Å²	152.8	82%	0.818	79%	0.792	S	S	*	*			trans	-71.7	138.6	146.2	-68.1	-161.6	121.2	0	0	109.3	E534	E534-E536 VanDerWaalsContact C-N 3.28Å; E534-E536 PolarHBondContact O-N 3.2Å
537	E	39.8	Very low	31.7	Very low	191 Å²	191	154.4 Å²	154.4	89%	0.893	80%	0.795	S	S	*	*	S	Bend	trans	43.7	78.6	159.6	-54.7	-166.1	147.4	0	0	119
538	T	33.2	Very low	31.1	Very low	126 Å²	126	152.6 Å²	152.6	77%	0.773	80%	0.798	S	S	*	*			trans	-158.5	85	148.5	4.9	0	0	0	0	113
539	L	26.7	Very low	30.4	Very low	186 Å²	186	158.3 Å²	158.3	97%	0.974	81%	0.814	S	S	*	*			trans	-152.3	67	161.6	-152.8	92.7	0	0	0	111
540	G	30.3	Very low	30	Very low	76 Å²	76	160.6 Å²	160.6	78%	0.784	82%	0.82	S	S	*	*			trans	-131.7	19.2	-166.6	0	0	0	0	0	115.8
541	Q	26.6	Very low	29.2	Very low	161 Å²	161	156.7 Å²	156.7	75%	0.752	82%	0.82	S	S	*	*			trans	-139.5	120.7	175.2	-107.2	166.3	-34.6	0	0	111.1	E543	Q541-E543 PolarHBondContact NE2-OE1 2.59Å
542	Y	25.8	Very low	28.5	Very low	211 Å²	211	155.7 Å²	155.7	83%	0.827	82%	0.816	S	S	*	*			trans	-134.9	96	161.1	51	-83.3	0	0	0	105.3
543	E	27.6	Very low	28.1	Very low	163 Å²	163	153.2 Å²	153.2	76%	0.762	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89.2	127.4	177.4	-71.9	177.7	172	0	0	109	Q541	Q541-E543 PolarHBondContact NE2-OE1 2.59Å
544	L	29.1	Very low	27.8	Very low	170 Å²	170	152 Å²	152	89%	0.89	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.7	119.5	164	-78.9	160.1	0	0	0	106.5
545	G	25.7	Very low	27.4	Very low	75 Å²	75	148.6 Å²	148.6	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-81.2	129	174.7	0	0	0	0	0	111.3
546	E	25.9	Very low	27.2	Very low	193 Å²	193	150.7 Å²	150.7	90%	0.902	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-99.8	138.9	157.2	-66.3	-170.3	138.4	0	0	108.5
547	H	26.5	Very low	26.7	Very low	200 Å²	200	149.8 Å²	149.8	93%	0.926	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-78.7	134.9	176.4	-90.4	-100.4	0	0	0	110.6
548	G	25.6	Very low	26.2	Very low	71 Å²	71	146.4 Å²	146.4	73%	0.732	81%	0.812	S	S	*	*			trans	-89.6	-164.7	-176.3	0	0	0	0	0	115
549	F	24	Very low	25.7	Very low	215 Å²	215	146.1 Å²	146.1	94%	0.943	81%	0.81	S	S	*	*			trans	-117.8	162.3	171.7	-108.5	-92	0	0	0	111.6
550	E	24	Very low	25.7	Very low	177 Å²	177	144.2 Å²	144.2	83%	0.827	80%	0.799	S	S	*	*			trans	-98	172.6	-149.9	-55.3	-179.6	114.5	0	0	117.3
551	S	23.3	Very low	25.5	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	79%	0.793	S	S	*	*			trans	115.8	135.8	148.7	77.6	0	0	0	0	114.9
552	N	22.2	Very low	25.6	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	79%	0.791	S	S	*	*			cis	-157.1	169	18.1	-133.8	-30.6	0	0	0	113.7
553	S	25.7	Very low	25.6	Very low	105 Å²	105	140.8 Å²	140.8	73%	0.734	79%	0.789	S	S	*	*			trans	60.8	115.2	175	54.3	0	0	0	0	117.7
554	S	23.9	Very low	25.5	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	78%	0.777	S	S	*	*				70.9	121.3	73.6	-163.7	0	0	0	0	112.2
555	V	26.5	Very low	25.3	Very low	132 Å²	132	134.3 Å²	134.3	80%	0.8	78%	0.776	S	S	*	*				-130.2	172.9	59	172.8	0	0	0	0	114
556	Q	25.1	Very low	25.3	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	78%	0.78	S	S	*	*			trans	-76.6	158.1	-159.2	-63.7	149.8	-78.5	0	0	118.3
557	M	24.2	Very low	25.2	Very low	157 Å²	157	137.3 Å²	137.3	77%	0.773	78%	0.78	S	S	*	*			trans	-80.2	167	162.8	-64.7	-95.1	81.1	0	0	112.4	V559	M557-V559 HydrophobicContact CB-CG2 4.46Å
558	P	28.3	Very low	25.2	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	78%	0.777	S	S	*	*				-116.2	140.1	101.4	-8.4	28	0	0	0	112.7
559	V	23.5	Very low	25	Very low	119 Å²	119	138.4 Å²	138.4	72%	0.721	79%	0.785	S	S	*	*			cis	84.1	122.3	48.7	163.3	0	0	0	0	111.4	M557	M557-V559 HydrophobicContact CB-CG2 4.46Å
560	I	25.8	Very low	24.8	Very low	146 Å²	146	136.9 Å²	136.9	75%	0.749	78%	0.781	S	S	*	*			cis	-164.4	173.8	-0.1	-143.9	166.9	0	0	0	114.6
561	S	26.4	Very low	25	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	78%	0.775	S	S	*	*			trans	72.5	122.7	164.6	-75.6	0	0	0	0	119.7
562	Q	27.9	Very low	25	Very low	149 Å²	149	133.8 Å²	133.8	70%	0.696	77%	0.774	S	S	*	*				86	140.9	50.2	-63	-85.2	12.2	0	0	111.3	S564	Q562-S564 PolarHBondContact OE1-OG 3.22Å
563	V	26.1	Very low	25.3	Very low	132 Å²	132	135.9 Å²	135.9	80%	0.8	78%	0.776	S	S	*	*				-134.7	120.6	52.1	-178	0	0	0	0	111
564	S	26.1	Very low	25.7	Very low	73 Å²	73	137 Å²	137	51%	0.51	78%	0.781	S	S	.	*				63.2	123.9	83.8	-25.8	0	0	0	0	117.2	Q562	Q562-S564 PolarHBondContact OE1-OG 3.22Å
565	S	25.2	Very low	25.8	Very low	124 Å²	124	140.6 Å²	140.6	87%	0.867	79%	0.791	S	S	*	*			trans	175.4	107.1	134.6	-83.1	0	0	0	0	112.2
566	T	24.5	Very low	25.7	Very low	140 Å²	140	137.9 Å²	137.9	86%	0.859	79%	0.79	S	S	*	*			trans	-131.5	145.4	162.3	45.8	0	0	0	0	108.7
567	Q	25.1	Very low	25.7	Very low	192 Å²	192	135 Å²	135	90%	0.897	79%	0.789	S	S	*	*			trans	-139.6	130.4	167.1	-77.9	-168.6	-17.9	0	0	110.5
568	N	25	Very low	25.9	Very low	160 Å²	160	136.1 Å²	136.1	86%	0.856	80%	0.797	S	S	*	*			trans	-91	166.3	166.5	-69.7	-15.4	0	0	0	109.7
569	C	21.8	Very low	25.7	Very low	133 Å²	133	134.1 Å²	134.1	90%	0.899	80%	0.798	S	S	*	*			trans	-145.9	146.2	152.3	56.3	0	0	0	0	110
570	E	21.4	Very low	25.8	Very low	183 Å²	183	132 Å²	132	86%	0.855	80%	0.801	S	S	*	*			trans	-146.2	170.7	-166.2	-172.5	172.3	-152.1	0	0	110.4
571	S	26.3	Very low	25.9	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	81%	0.812	S	S	*	*			trans	89.9	113.9	157.8	78.7	0	0	0	0	121.2
572	T	23.8	Very low	25.9	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.724	81%	0.812	S	S	*	*				70	105.3	112.9	-49.2	0	0	0	0	122.4
573	F	29.1	Very low	26	Very low	192 Å²	192	133.4 Å²	133.4	84%	0.842	81%	0.813	S	S	*	*			trans	36.4	145.8	139	-57.7	-64.6	0	0	0	123.1
574	P	32.9	Very low	26.2	Very low	129 Å²	129	134.6 Å²	134.6	84%	0.838	81%	0.807	S	S	*	*				-137.7	178.7	90.1	39.5	-27.5	0	0	0	115.5
575	L	27.2	Very low	27	Very low	181 Å²	181	139.9 Å²	139.9	95%	0.948	82%	0.824	S	S	*	*			trans	-90.3	145.6	-177.2	-165.1	78.8	0	0	0	112.2
576	G	24.3	Very low	27.3	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	82%	0.822	S	S	*	*			trans	-157.4	144	170.8	0	0	0	0	0	111.8
577	S	25.3	Very low	27.4	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	82%	0.816	S	S	*	*			trans	-136.8	132.2	-174	178.3	0	0	0	0	111.2
578	L	27.1	Very low	28	Very low	180 Å²	180	138.8 Å²	138.8	94%	0.942	81%	0.807	S	S	*	*			trans	169.6	160.4	145.1	-97.6	162.7	0	0	0	111.7
579	G	25.3	Very low	28.9	Very low	78 Å²	78	136.8 Å²	136.8	80%	0.804	80%	0.803	S	S	*	*			trans	84.6	99.5	155.8	0	0	0	0	0	116.5
580	G	26	Very low	29.2	Very low	76 Å²	76	139.5 Å²	139.5	78%	0.784	80%	0.803	S	S	*	*			trans	-104.1	160.9	160.2	0	0	0	0	0	111.3
581	L	27.1	Very low	29.7	Very low	184 Å²	184	139.1 Å²	139.1	96%	0.963	80%	0.801	S	S	*	*			trans	-152.8	164.2	154	-109.8	171.3	0	0	0	108.6
582	A	27.4	Very low	30.5	Very low	81 Å²	81	138.6 Å²	138.6	67%	0.669	80%	0.795	S	S	*	*			trans	-130.2	174.6	-164.7	0	0	0	0	0	112.9
583	E	29.8	Very low	30.8	Very low	154 Å²	154	141.8 Å²	141.8	72%	0.72	80%	0.799	S	S	*	*			trans	73.8	151.4	167.9	-55.2	-161.3	142.9	0	0	116.5
584	K	28.7	Very low	30.9	Very low	157 Å²	157	138 Å²	138	68%	0.683	79%	0.792	S	S	*	*			cis	-147.8	160.6	2.8	-137.6	158.3	-169.8	136.7	0	113.2
585	E	43.1	Very low	30.7	Very low	184 Å²	184	138.8 Å²	138.8	86%	0.86	79%	0.789	S	S	*	*			trans	-87	157.9	160.6	-60.7	175.8	109.1	0	0	110.5
586	E	32.3	Very low	30.9	Very low	177 Å²	177	136 Å²	136	83%	0.827	78%	0.779	S	S	*	*			trans	-166.4	155.2	152.1	-114.5	163.7	-147	0	0	108.1
587	D	26.7	Very low	31.1	Very low	136 Å²	136	138.8 Å²	138.8	73%	0.727	78%	0.782	S	S	*	*			cis	-142.3	169.3	7	-169	16	0	0	0	111.8
588	V	37.5	Very low	31.5	Very low	119 Å²	119	137.7 Å²	137.7	72%	0.721	78%	0.78	S	S	*	*			trans	-85.5	-168	176.5	-155	0	0	0	0	109.7
589	P	44.4	Very low	31.7	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	78%	0.779	S	S	*	*				-153	152.2	82.7	38.5	-19.1	0	0	0	116.7
590	E	27.9	Very low	32	Very low	191 Å²	191	139.1 Å²	139.1	89%	0.893	78%	0.775	S	S	*	*			trans	-148.2	169.7	144.5	-139.7	173.6	-173.8	0	0	111.6
591	Q	30.9	Very low	32.6	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	78%	0.781	S	S	*	*			trans	-130.5	-178.2	-159.2	-73.1	-164.1	7.2	0	0	111.7
592	P	43.3	Very low	33.2	Very low	89 Å²	89	139 Å²	139	58%	0.578	78%	0.778	S	S	*	*				-140.5	-174.5	-55.7	42	-26.3	0	0	0	114
593	K	31.3	Very low	33.5	Very low	185 Å²	185	138.6 Å²	138.6	80%	0.804	78%	0.782	S	S	*	*			trans	75.7	149	158.5	-61.6	165.6	-173.7	174.4	0	118.3
594	T	30.2	Very low	33.9	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	79%	0.788	S	S	*	*			cis	-169.7	137.2	-15.7	28.8	0	0	0	0	109.7
595	N	29.2	Very low	35.1	Very low	146 Å²	146	136.9 Å²	136.9	78%	0.781	79%	0.791	S	S	*	*				160.8	122.8	128.5	-83.2	-11.5	0	0	0	115.5
596	T	31.5	Very low	35.5	Very low	121 Å²	121	133.7 Å²	133.7	74%	0.742	79%	0.787	S	S	*	*			trans	22.2	127	147.9	54.4	0	0	0	0	121.2
597	T	29	Very low	35.6	Very low	136 Å²	136	134.4 Å²	134.4	83%	0.834	79%	0.787	S	S	*	*				-171.8	149	83.1	25.7	0	0	0	0	115.1
598	A	32.2	Very low	36.6	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	79%	0.788	S	S	*	*			trans	49	128.3	147.3	0	0	0	0	0	125.8
599	E	32.3	Very low	36.4	Very low	201 Å²	201	135.9 Å²	135.9	94%	0.939	79%	0.791	S	S	*	*			trans	74.6	157.5	143.3	-69.6	-166.6	123.4	0	0	124.4
600	A	31.9	Very low	36	Very low	87 Å²	87	136.6 Å²	136.6	72%	0.719	79%	0.788	S	S	*	*			trans	84.8	97.1	171.3	0	0	0	0	0	121.6
601	T	37.7	Very low	36.4	Very low	148 Å²	148	132 Å²	132	91%	0.908	78%	0.777	S	S	*	*			trans	60.6	130.2	144.7	56	0	0	0	0	122.8
602	A	39.5	Very low	36.6	Very low	109 Å²	109	128.3 Å²	128.3	90%	0.901	77%	0.771	S	S	*	*			trans	-155	163.4	165.4	0	0	0	0	0	111.6
603	G	34.4	Very low	36.2	Very low	72 Å²	72	131 Å²	131	74%	0.742	78%	0.779	S	S	*	*			trans	-175.2	20.6	-173.3	0	0	0	0	0	121.9
604	D	38	Very low	36.2	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	77%	0.774	S	S	*	*			trans	74	156.5	153.8	-66.4	-28.8	0	0	0	125.5
605	P	53.8	Low	36.3	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	78%	0.778	S	S	*	*			trans	-124.1	-146	-158.1	40.7	-17.8	0	0	0	112.4
606	P	51	Low	36.8	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	80%	0.8	S	S	*	*			cis	-138.7	-86.5	6.7	37.6	-11.6	0	0	0	120.8
607	K	34.1	Very low	37	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	80%	0.802	S	S	*	*			trans	-158.4	-171.3	-152	-62.9	-171	178.6	179.5	0	110.6
608	P	48.1	Very low	37.4	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	80%	0.801	S	S	*	*			cis	-153.8	-175.5	10.4	48.3	-27	0	0	0	121.6
609	E	34.6	Very low	37.7	Very low	171 Å²	171	138.3 Å²	138.3	80%	0.799	80%	0.803	S	S	*	*			trans	91.6	137.4	143.2	-63.7	-125.8	116.7	0	0	127.6
610	L	35.9	Very low	38.1	Very low	134 Å²	134	134.6 Å²	134.6	70%	0.702	80%	0.795	S	S	*	*			trans	65.3	112.3	147	-99.1	74.5	0	0	0	128.7
611	S	35.9	Very low	38.4	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	80%	0.8	S	S	*	*				43.3	140.5	124	71.2	0	0	0	0	125.8
612	S	35.6	Very low	38.5	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	79%	0.793	S	S	*	*				155.4	131.6	96.6	59.4	0	0	0	0	119.2
613	I	33.8	Very low	38.4	Very low	147 Å²	147	138.9 Å²	138.9	75%	0.754	79%	0.785	S	S	*	*			trans	72.8	152.9	133.4	-63.5	168.2	0	0	0	123.5
614	T	30.6	Very low	38.7	Very low	114 Å²	114	144 Å²	144	70%	0.699	79%	0.788	S	S	*	*			trans	73.7	126.5	165.4	36.5	0	0	0	0	118.7
615	I	33.5	Very low	38.8	Very low	151 Å²	151	142.6 Å²	142.6	77%	0.774	78%	0.782	S	S	*	*				71.2	134.2	58.7	-62.9	169.6	0	0	0	110.3
616	E	38.6	Very low	37.4	Very low	265 Å²	265	145.2 Å²	145.2	100%	1.238	79%	0.786	S	S	*	*			cis	-97.6	0	15.4	-63.1	-179.7	124.6	0	0	116.2

Retrieved 616 of 616 residues in 188.7 ms (Link to these results)

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