A0A077YYU5_TRITR Loading...

Serine:threonine protein kinase TNNI3K

AlphaFold DB , UniProt , Accession A0A077YYU5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 767 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	49.4	Very low	53.5	Low	12 Å²	12	73.3 Å²	73.3	6%	0.059	37%	0.372	C	S	.	.				0	-15.1	0	-73.7	-151.1	-170.1	0	0	115	N3 Y4 K5 Y295 W359 E362	M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.39Å; M1-Y4 PolarHBondContact O-N 3.09Å; M1-K5 HydrophobicContact CB-CD 4.29Å; M1-K5 HydrophobicContact CB-CG 4.32Å; M1-K5 PolarHBondContact O-N 2.7Å; M1-K5 HydrophobicContact SD-CD 4.4Å; M1-K5 WeakPolarHBondContact SD-CE 3.27Å; M1-K5 HydrophobicContact SD-CG 4.4Å; M1-Y295 HydrophobicContact CE-CD2 4.01Å; M1-Y295 HydrophobicContact CE-CE2 4.14Å; M1-Y295 HydrophobicContact SD-CD2 4.4Å; M1-Y295 HydrophobicContact SD-CE2 3.96Å; M1-W359 HydrophobicContact CE-CB 4.17Å; M1-W359 HydrophobicContact CE-CD2 3.68Å; M1-W359 HydrophobicContact CE-CG 3.49Å; M1-W359 VanDerWaalsContact CE-CG 3.49Å; M1-W359 HydrophobicContact CG-CZ2 3.93Å; M1-E362 HydrophobicContact CE-CB 4.33Å; M1-E362 WeakPolarHBondContact CE-OE2 3.48Å
2	G	43.1	Very low	54.4	Low	49 Å²	49	74.2 Å²	74.2	51%	0.505	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-43.9	-173.3	0	0	0	0	0	114.4	T6	G2-T6 PolarHBondContact O-OG1 3.46Å; G2-T6 VanDerWaalsContact O-OG1 3.11Å
3	N	49.7	Very low	55.5	Low	60 Å²	60	68.5 Å²	68.5	32%	0.321	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-35.4	179.2	-64.6	-4.5	0	0	0	112.5	M1 T6 R7 I249 F250	M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.39Å; N3-T6 PolarHBondContact O-N 3.26Å; N3-T6 PolarHBondContact O-OG1 3.29Å; N3-R7 PolarHBondContact O-N 3.24Å; N3-I249 PolarHBondContact ND2-O 3.26Å; N3-F250 HydrophobicContact CB-CD1 4.36Å; N3-F250 WeakPolarHBondContact O-CD1 3.46Å
4	Y	53.5	Low	56.5	Low	12 Å²	12	65.4 Å²	65.4	5%	0.047	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-36	-176.3	-156.1	-85.4	0	0	0	113.5	M1 E252 S260 Y295 N296 W359	M1-Y4 PolarHBondContact O-N 3.09Å; Y4-E252 WeakPolarHBondContact CE2-OE1 3.18Å; Y4-S260 WeakPolarHBondContact OH-CB 3.49Å; Y4-S260 PolarHBondContact OH-OG 3.48Å; Y4-Y295 AromaticContact CD1-CD1 3.92Å; Y4-Y295 HydrophobicContact CD1-CD1 3.92Å; Y4-Y295 AromaticContact CD1-CE1 3.75Å; Y4-Y295 HydrophobicContact CD1-CE1 3.75Å; Y4-Y295 HydrophobicContact CD1-CE2 4.49Å; Y4-Y295 HydrophobicContact CD1-CG 4.33Å; Y4-Y295 AromaticContact CE1-CD1 3.33Å; Y4-Y295 HydrophobicContact CE1-CD1 3.33Å; Y4-Y295 AromaticContact CE1-CE1 3.51Å; Y4-Y295 HydrophobicContact CE1-CE1 3.51Å; Y4-Y295 AromaticContact CE1-CG 3.92Å; Y4-Y295 HydrophobicContact CE1-CG 3.92Å; Y4-N296 PolarHBondContact OH-ND2 2.91Å; Y4-W359 HydrophobicContact CD1-CZ3 4.2Å; Y4-W359 HydrophobicContact CD2-CH2 4.32Å; Y4-W359 HydrophobicContact CD2-CZ3 4.16Å; Y4-W359 HydrophobicContact CE1-CZ3 4.38Å; Y4-W359 HydrophobicContact CE2-CZ3 4.31Å; Y4-W359 HydrophobicContact CG-CH2 4.22Å; Y4-W359 HydrophobicContact CG-CZ3 4.1Å
5	K	53	Low	57.3	Low	83 Å²	83	65.1 Å²	65.1	36%	0.361	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.9	176.9	-78.7	-179.8	178.7	169.8	0	113.6	M1 E362	M1-K5 HydrophobicContact CB-CD 4.29Å; M1-K5 HydrophobicContact CB-CG 4.32Å; M1-K5 PolarHBondContact O-N 2.7Å; M1-K5 HydrophobicContact SD-CD 4.4Å; M1-K5 WeakPolarHBondContact SD-CE 3.27Å; M1-K5 HydrophobicContact SD-CG 4.4Å; K5-E362 WeakPolarHBondContact CE-OE1 3.28Å; K5-E362 IonicContact NZ-OE1 2.65Å; K5-E362 PolarHBondContact NZ-OE1 3.43Å
6	T	49	Very low	58.2	Low	99 Å²	99	62.6 Å²	62.6	61%	0.607	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	4.1	-176.6	53.4	0	0	0	0	113	G2 N3 P8	G2-T6 PolarHBondContact O-OG1 3.46Å; G2-T6 VanDerWaalsContact O-OG1 3.11Å; N3-T6 PolarHBondContact O-N 3.26Å; N3-T6 PolarHBondContact O-OG1 3.29Å; T6-P8 WeakPolarHBondContact O-CD 3.42Å
7	R	56	Low	59.6	Low	71 Å²	71	59.3 Å²	59.3	27%	0.268	30%	0.296	S	S	.	.			trans	-61.7	122.6	-179.2	-176.9	170.1	176	-139.6	-10.9	111	N3 R9 Y225 F250 E252	N3-R7 PolarHBondContact O-N 3.24Å; R7-R9 PolarHBondContact O-N 2.97Å; R7-Y225 VanDerWaalsContact CZ-OH 3.29Å; R7-Y225 VanDerWaalsContact NH2-CD2 3.31Å; R7-Y225 VanDerWaalsContact NH2-CG 3.29Å; R7-Y225 PolarHBondContact NH2-OH 2.64Å; R7-F250 HydrophobicContact CB-CD1 4.24Å; R7-F250 HydrophobicContact CB-CE1 3.93Å; R7-F250 HydrophobicContact CB-CZ 4.28Å; R7-F250 HydrophobicContact CG-CD1 4.38Å; R7-F250 HydrophobicContact CG-CD2 4.46Å; R7-F250 HydrophobicContact CG-CE1 4.01Å; R7-F250 HydrophobicContact CG-CE2 4.1Å; R7-F250 HydrophobicContact CG-CZ 3.86Å; R7-E252 IonicContact NH1-OE2 3.87Å
8	P	55.4	Low	60.6	Low	69 Å²	69	62.9 Å²	62.9	45%	0.448	31%	0.306	S	S	.	.			trans	-60.2	131.2	171	-19.2	31.3	0	0	0	109.9	T6 H10	T6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-H10 VanDerWaalsContact C-N 3.34Å
9	R	57.2	Low	61.2	Low	225 Å²	225	62.7 Å²	62.7	85%	0.849	30%	0.304	S	S	*	.	S	Bend	trans	-78.4	-22.4	176.1	-71.1	-173.1	176.3	-160.7	-4.4	113.2	R7	R7-R9 PolarHBondContact O-N 2.97Å
10	H	57.3	Low	61.9	Low	107 Å²	107	59.6 Å²	59.6	50%	0.495	29%	0.288	S	S	.	.	S	Bend	trans	-134	139.3	-179.5	-59.5	-59.4	0	0	0	107.2	P8 D14	P8-H10 VanDerWaalsContact C-N 3.34Å; H10-D14 HydrophobicContact CB-CB 4.22Å
11	S	65.4	Low	62.8	Low	19 Å²	19	57.8 Å²	57.8	13%	0.133	28%	0.283	C	S	.	.			trans	-72.2	164.1	170.1	62.6	0	0	0	0	109.8	S13 D14 E15 E181 K191	S11-S13 WeakPolarHBondContact CB-OG 3.48Å; S11-S13 PolarHBondContact O-N 3.24Å; S11-S13 PolarHBondContact OG-OG 3Å; S11-D14 PolarHBondContact N-OD2 3.26Å; S11-D14 PolarHBondContact O-N 3.18Å; S11-D14 PolarHBondContact OG-N 3.33Å; S11-D14 PolarHBondContact OG-OD2 3.21Å; S11-E15 PolarHBondContact O-N 2.96Å; S11-E181 WeakPolarHBondContact CB-OE2 3.5Å; S11-K191 PolarHBondContact OG-NZ 3.4Å
12	F	63.2	Low	64.2	Low	84 Å²	84	61.7 Å²	61.7	37%	0.368	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-36.6	176.8	-177	-133.6	0	0	0	111.2	E15 L16 V148 E181	F12-E15 PolarHBondContact O-N 3.15Å; F12-L16 WeakPolarHBondContact O-CB 3.31Å; F12-L16 PolarHBondContact O-N 3.08Å; F12-V148 HydrophobicContact CD1-CB 4.44Å; F12-V148 HydrophobicContact CD1-CG1 3.39Å; F12-V148 HydrophobicContact CE1-CG1 3.18Å; F12-V148 HydrophobicContact CG-CG1 4.5Å; F12-V148 HydrophobicContact CZ-CG1 4.11Å; F12-E181 VanDerWaalsContact CB-OE1 3.23Å; F12-E181 WeakPolarHBondContact CB-OE1 3.09Å; F12-E181 PolarHBondContact N-OE1 2.93Å
13	S	69	Low	65.7	Low	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-43.6	173.2	40.9	0	0	0	0	113.4	S11 E15 L16 Y17 E181	S11-S13 WeakPolarHBondContact CB-OG 3.48Å; S11-S13 PolarHBondContact O-N 3.24Å; S11-S13 PolarHBondContact OG-OG 3Å; S13-E15 PolarHBondContact O-N 3Å; S13-L16 PolarHBondContact O-N 3.48Å; S13-Y17 WeakPolarHBondContact O-CB 3.48Å; S13-Y17 WeakPolarHBondContact O-CD2 3.5Å; S13-Y17 PolarHBondContact O-N 3.41Å; S13-E181 PolarHBondContact OG-OE2 2.89Å
14	D	69.7	Low	67.3	Low	25 Å²	25	56.7 Å²	56.7	13%	0.134	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-42.5	179.9	-68.4	-22.7	0	0	0	112.5	H10 S11 R18 K191	H10-D14 HydrophobicContact CB-CB 4.22Å; S11-D14 PolarHBondContact N-OD2 3.26Å; S11-D14 PolarHBondContact O-N 3.18Å; S11-D14 PolarHBondContact OG-N 3.33Å; S11-D14 PolarHBondContact OG-OD2 3.21Å; D14-R18 PolarHBondContact O-N 3.35Å; D14-K191 WeakPolarHBondContact OD1-CE 3.46Å; D14-K191 IonicContact OD1-NZ 2.77Å; D14-K191 PolarHBondContact OD1-NZ 3.24Å; D14-K191 WeakPolarHBondContact OD2-CE 3.4Å; D14-K191 IonicContact OD2-NZ 3.98Å; D14-K191 PolarHBondContact OD2-NZ 3.28Å
15	E	68.2	Low	68.5	Low	61 Å²	61	64.2 Å²	64.2	29%	0.285	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-43.7	178.8	-170.2	61.1	-145.1	0	0	110.6	S11 F12 S13 R18 K19	S11-E15 PolarHBondContact O-N 2.96Å; F12-E15 PolarHBondContact O-N 3.15Å; S13-E15 PolarHBondContact O-N 3Å; E15-R18 PolarHBondContact O-N 2.94Å; E15-R18 IonicContact OE1-NH1 3.94Å; E15-R18 PolarHBondContact OE1-NH1 3.11Å; E15-R18 IonicContact OE2-CZ 2.99Å; E15-R18 IonicContact OE2-NH1 2.58Å; E15-R18 PolarHBondContact OE2-NH1 3.39Å; E15-R18 IonicContact OE2-NH2 3.11Å; E15-K19 WeakPolarHBondContact O-CG 3.46Å; E15-K19 PolarHBondContact O-N 3.17Å; E15-K19 VanDerWaalsContact O-N 3.09Å; E15-K19 WeakPolarHBondContact OE1-CE 3.41Å
16	L	72.5	Confident	69.5	Low	25 Å²	25	62.5 Å²	62.5	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-51.2	176.6	-179.7	65	0	0	0	111.1	F12 S13 R18 K19 V20 V148	F12-L16 WeakPolarHBondContact O-CB 3.31Å; F12-L16 PolarHBondContact O-N 3.08Å; S13-L16 PolarHBondContact O-N 3.48Å; L16-R18 VanDerWaalsContact C-N 3.27Å; L16-R18 PolarHBondContact O-N 3.28Å; L16-K19 CarbonylContact O-C 3.57Å; L16-K19 WeakPolarHBondContact O-CB 3.38Å; L16-K19 PolarHBondContact O-N 3.08Å; L16-V20 HydrophobicContact CD1-CG2 3.91Å; L16-V20 HydrophobicContact CG-CG2 4.05Å; L16-V20 WeakPolarHBondContact O-CB 3.37Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.33Å; L16-V148 HydrophobicContact CD2-CB 4.25Å; L16-V148 HydrophobicContact CD2-CG1 3.59Å; L16-V148 HydrophobicContact CD2-CG2 3.64Å
17	Y	81.5	Confident	70.7	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-36.9	-178.6	-61.8	-23.9	0	0	0	112.5	S13 V20 A21 F125 L155 F158 F188	S13-Y17 WeakPolarHBondContact O-CB 3.48Å; S13-Y17 WeakPolarHBondContact O-CD2 3.5Å; S13-Y17 PolarHBondContact O-N 3.41Å; Y17-V20 PolarHBondContact O-N 3.41Å; Y17-A21 VanDerWaalsContact O-CB 3.27Å; Y17-A21 WeakPolarHBondContact O-CB 3.01Å; Y17-A21 PolarHBondContact O-N 3.18Å; Y17-F125 HydrophobicContact CD1-CE2 4.24Å; Y17-F125 HydrophobicContact CG-CE2 4.14Å; Y17-L155 HydrophobicContact CD1-CD2 3.97Å; Y17-L155 HydrophobicContact CE1-CD2 3.26Å; Y17-L155 HydrophobicContact CE2-CD2 4.36Å; Y17-L155 VanDerWaalsContact CZ-CD2 3.49Å; Y17-F158 AromaticContact CD2-CD1 3.73Å; Y17-F158 HydrophobicContact CD2-CD1 3.73Å; Y17-F158 AromaticContact CD2-CE1 3.6Å; Y17-F158 HydrophobicContact CD2-CE1 3.6Å; Y17-F158 HydrophobicContact CD2-CG 4.3Å; Y17-F158 HydrophobicContact CD2-CZ 4.04Å; Y17-F158 AromaticContact CE2-CD1 3.98Å; Y17-F158 HydrophobicContact CE2-CD1 3.98Å; Y17-F158 HydrophobicContact CE2-CE1 4.23Å; Y17-F158 HydrophobicContact CE2-CG 4.11Å; Y17-F188 AromaticContact CE2-CE1 3.99Å; Y17-F188 HydrophobicContact CE2-CE1 3.99Å
18	R	77.1	Confident	71.8	Confident	124 Å²	124	58.5 Å²	58.5	47%	0.468	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-42.6	174.8	-161.8	-175	-50.5	109.4	6.5	111.8	D14 E15 L16 R22	D14-R18 PolarHBondContact O-N 3.35Å; E15-R18 PolarHBondContact O-N 2.94Å; E15-R18 IonicContact OE1-NH1 3.94Å; E15-R18 PolarHBondContact OE1-NH1 3.11Å; E15-R18 IonicContact OE2-CZ 2.99Å; E15-R18 IonicContact OE2-NH1 2.58Å; E15-R18 PolarHBondContact OE2-NH1 3.39Å; E15-R18 IonicContact OE2-NH2 3.11Å; L16-R18 VanDerWaalsContact C-N 3.27Å; L16-R18 PolarHBondContact O-N 3.28Å; R18-R22 WeakPolarHBondContact O-CB 3.36Å; R18-R22 PolarHBondContact O-N 3.41Å; R18-R22 VanDerWaalsContact O-N 3.09Å
19	K	72.9	Confident	72.7	Confident	60 Å²	60	58 Å²	58	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-68	-43.1	177.1	-71	-178.3	177.6	-158.9	0	112	E15 L16 R22 G23 L757	E15-K19 WeakPolarHBondContact O-CG 3.46Å; E15-K19 PolarHBondContact O-N 3.17Å; E15-K19 VanDerWaalsContact O-N 3.09Å; E15-K19 WeakPolarHBondContact OE1-CE 3.41Å; L16-K19 CarbonylContact O-C 3.57Å; L16-K19 WeakPolarHBondContact O-CB 3.38Å; L16-K19 PolarHBondContact O-N 3.08Å; K19-R22 WeakPolarHBondContact O-CB 3.27Å; K19-R22 PolarHBondContact O-N 3.42Å; K19-G23 PolarHBondContact O-N 3.26Å; K19-L757 HydrophobicContact CB-CD2 3.92Å
20	V	75.7	Confident	73.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-50.6	177	170.6	0	0	0	0	110.8	L16 Y17 R22 G23 Y24 W114 A115 F117	L16-V20 HydrophobicContact CD1-CG2 3.91Å; L16-V20 HydrophobicContact CG-CG2 4.05Å; L16-V20 WeakPolarHBondContact O-CB 3.37Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.33Å; Y17-V20 PolarHBondContact O-N 3.41Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 PolarHBondContact O-N 3.04Å; V20-G23 PolarHBondContact O-N 3.39Å; V20-G23 VanDerWaalsContact O-N 3.16Å; V20-Y24 HydrophobicContact CG1-CD2 3.63Å; V20-Y24 HydrophobicContact CG1-CE2 3.2Å; V20-Y24 WeakPolarHBondContact O-CD2 3.25Å; V20-Y24 PolarHBondContact O-N 2.89Å; V20-W114 HydrophobicContact CB-CH2 4.48Å; V20-W114 HydrophobicContact CG2-CH2 4.33Å; V20-W114 HydrophobicContact CG2-CZ3 4.1Å; V20-A115 HydrophobicContact CG2-CB 3.88Å; V20-F117 HydrophobicContact CG1-CD2 4.32Å; V20-F117 HydrophobicContact CG1-CE2 3.84Å; V20-F117 HydrophobicContact CG1-CZ 4.26Å
21	A	80.7	Confident	74.4	Confident	22 Å²	22	45.8 Å²	45.8	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-38	176	0	0	0	0	0	112.6	Y17 R25 F125	Y17-A21 VanDerWaalsContact O-CB 3.27Å; Y17-A21 WeakPolarHBondContact O-CB 3.01Å; Y17-A21 PolarHBondContact O-N 3.18Å; A21-R25 WeakPolarHBondContact O-CB 3.5Å; A21-R25 PolarHBondContact O-N 3.14Å; A21-F125 HydrophobicContact CB-CE1 3.98Å; A21-F125 HydrophobicContact CB-CZ 4Å
22	R	78.1	Confident	74.9	Confident	94 Å²	94	49 Å²	49	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-47.3	175.2	-170.5	-172.8	-167.6	156.7	12.8	111.7	R18 K19 V20 R25 V26 V760	R18-R22 WeakPolarHBondContact O-CB 3.36Å; R18-R22 PolarHBondContact O-N 3.41Å; R18-R22 VanDerWaalsContact O-N 3.09Å; K19-R22 WeakPolarHBondContact O-CB 3.27Å; K19-R22 PolarHBondContact O-N 3.42Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 PolarHBondContact O-N 3.04Å; R22-R25 WeakPolarHBondContact O-CB 3.26Å; R22-R25 PolarHBondContact O-N 3.05Å; R22-V26 WeakPolarHBondContact O-CG2 3.49Å; R22-V26 PolarHBondContact O-N 3.04Å; R22-V760 PolarHBondContact NH1-O 2.99Å; R22-V760 PolarHBondContact NH2-O 2.85Å; R22-V760 VanDerWaalsContact NH2-O 3.1Å
23	G	74.5	Confident	75	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-50.8	178.3	0	0	0	0	0	111.6	K19 V20 R25 V26 L27	K19-G23 PolarHBondContact O-N 3.26Å; V20-G23 PolarHBondContact O-N 3.39Å; V20-G23 VanDerWaalsContact O-N 3.16Å; G23-R25 VanDerWaalsContact C-N 3.32Å; G23-R25 PolarHBondContact O-N 3.21Å; G23-V26 PolarHBondContact O-N 3.42Å; G23-V26 VanDerWaalsContact O-N 3.16Å; G23-L27 WeakPolarHBondContact O-CG 3.48Å; G23-L27 PolarHBondContact O-N 2.84Å
24	Y	83.7	Confident	74.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-38.1	175.5	-71.8	-39.6	0	0	0	113.6	V20 V26 L27 R28 M84 L92 D113 W114 F117 I122 F126	V20-Y24 HydrophobicContact CG1-CD2 3.63Å; V20-Y24 HydrophobicContact CG1-CE2 3.2Å; V20-Y24 WeakPolarHBondContact O-CD2 3.25Å; V20-Y24 PolarHBondContact O-N 2.89Å; Y24-V26 VanDerWaalsContact C-N 3.35Å; Y24-V26 PolarHBondContact O-N 3.5Å; Y24-L27 HydrophobicContact CD1-CD1 4.39Å; Y24-L27 PolarHBondContact O-N 2.97Å; Y24-R28 WeakPolarHBondContact O-CB 3.36Å; Y24-R28 PolarHBondContact O-N 3.1Å; Y24-M84 HydrophobicContact CE1-SD 4.31Å; Y24-L92 HydrophobicContact CD1-CD1 4.06Å; Y24-L92 HydrophobicContact CD1-CD2 4.03Å; Y24-L92 HydrophobicContact CG-CD1 3.88Å; Y24-D113 PolarHBondContact OH-OD2 3.1Å; Y24-W114 HydrophobicContact CD1-CZ2 4.32Å; Y24-W114 HydrophobicContact CE1-CZ2 4.2Å; Y24-F117 HydrophobicContact CE2-CD2 4.29Å; Y24-F117 WeakPolarHBondContact OH-CD2 3.14Å; Y24-I122 HydrophobicContact CE1-CD1 3.83Å; Y24-I122 HydrophobicContact CE1-CG1 4.42Å; Y24-I122 HydrophobicContact CE2-CG1 4.31Å; Y24-I122 VanDerWaalsContact OH-CD1 3.31Å; Y24-I122 WeakPolarHBondContact OH-CD1 3.18Å; Y24-I122 VanDerWaalsContact OH-CG1 3.24Å; Y24-I122 WeakPolarHBondContact OH-CG1 3.42Å; Y24-F126 AromaticContact CD2-CE2 3.6Å; Y24-F126 HydrophobicContact CD2-CE2 3.6Å; Y24-F126 AromaticContact CD2-CZ 3.69Å; Y24-F126 HydrophobicContact CD2-CZ 3.69Å; Y24-F126 HydrophobicContact CE2-CE2 4.14Å; Y24-F126 HydrophobicContact CG-CE2 4.14Å; Y24-F126 HydrophobicContact CG-CZ 4.12Å
25	R	78.8	Confident	73.4	Confident	170 Å²	170	56 Å²	56	64%	0.642	27%	0.273	S	S	*	.	H	α-helix	trans	-62.7	-41.6	175.6	-170.3	-175.5	-59.8	130.9	3.6	111.8	A21 R22 G23 S29	A21-R25 WeakPolarHBondContact O-CB 3.5Å; A21-R25 PolarHBondContact O-N 3.14Å; R22-R25 WeakPolarHBondContact O-CB 3.26Å; R22-R25 PolarHBondContact O-N 3.05Å; G23-R25 VanDerWaalsContact C-N 3.32Å; G23-R25 PolarHBondContact O-N 3.21Å; R25-S29 WeakPolarHBondContact O-CB 3.44Å; R25-S29 PolarHBondContact O-N 3.3Å
26	V	73.7	Confident	72.3	Confident	46 Å²	46	59.6 Å²	59.6	28%	0.279	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-43.8	177.3	177.5	0	0	0	0	111	R22 G23 Y24 R28 S29 R30 L756	R22-V26 WeakPolarHBondContact O-CG2 3.49Å; R22-V26 PolarHBondContact O-N 3.04Å; G23-V26 PolarHBondContact O-N 3.42Å; G23-V26 VanDerWaalsContact O-N 3.16Å; Y24-V26 VanDerWaalsContact C-N 3.35Å; Y24-V26 PolarHBondContact O-N 3.5Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 2.85Å; V26-S29 PolarHBondContact O-N 3.45Å; V26-R30 PolarHBondContact O-N 3.3Å; V26-L756 HydrophobicContact CB-CD2 4.03Å; V26-L756 HydrophobicContact CG1-CD1 4.47Å; V26-L756 HydrophobicContact CG1-CD2 3.55Å; V26-L756 HydrophobicContact CG2-CD2 4.16Å
27	L	75.2	Confident	70.9	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-44.6	177.1	-66.2	173.8	0	0	0	111.6	G23 Y24 R30 L31 M84 L92 I753	G23-L27 WeakPolarHBondContact O-CG 3.48Å; G23-L27 PolarHBondContact O-N 2.84Å; Y24-L27 HydrophobicContact CD1-CD1 4.39Å; Y24-L27 PolarHBondContact O-N 2.97Å; L27-R30 PolarHBondContact O-N 3.17Å; L27-L31 PolarHBondContact O-N 3.35Å; L27-L31 VanDerWaalsContact O-N 3.07Å; L27-M84 HydrophobicContact CD1-CE 3.98Å; L27-M84 HydrophobicContact CD1-SD 4.08Å; L27-L92 HydrophobicContact CB-CD2 4.44Å; L27-I753 HydrophobicContact CD2-CD1 3.99Å
28	R	77.9	Confident	69	Low	86 Å²	86	68 Å²	68	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-44.1	176.2	-172.1	-179.1	176.2	142.3	4.8	112.1	Y24 V26 R30 L31 E32 Y59	Y24-R28 WeakPolarHBondContact O-CB 3.36Å; Y24-R28 PolarHBondContact O-N 3.1Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 2.85Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 2.85Å; R28-L31 CarbonylContact O-C 3.59Å; R28-L31 WeakPolarHBondContact O-CB 3.42Å; R28-L31 PolarHBondContact O-N 3.17Å; R28-E32 WeakPolarHBondContact CG-OE1 3.49Å; R28-E32 IonicContact NE-OE1 3.71Å; R28-E32 PolarHBondContact NE-OE1 2.99Å; R28-E32 WeakPolarHBondContact O-CG 3.45Å; R28-E32 PolarHBondContact O-N 3.45Å; R28-Y59 HydrophobicContact CG-CE2 4.23Å
29	S	75.4	Confident	67.3	Low	58 Å²	58	69.5 Å²	69.5	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-36.8	176.9	177.8	0	0	0	0	112.3	R25 V26 E32 C33	R25-S29 WeakPolarHBondContact O-CB 3.44Å; R25-S29 PolarHBondContact O-N 3.3Å; V26-S29 PolarHBondContact O-N 3.45Å; S29-E32 WeakPolarHBondContact O-CB 3.35Å; S29-E32 PolarHBondContact O-N 3.32Å; S29-C33 PolarHBondContact O-N 3.06Å; S29-C33 VanDerWaalsContact O-N 3.11Å; S29-C33 PolarHBondContact O-SG 3.43Å
30	R	73.6	Confident	66.1	Low	75 Å²	75	70.3 Å²	70.3	28%	0.283	37%	0.374	S	S	.	.	H	α-helix	trans	-67.3	-38.6	174.4	-76.5	-174.1	170.9	-174.3	-6.5	112.6	V26 L27 R28 E32 C33 W81 M751	V26-R30 PolarHBondContact O-N 3.3Å; L27-R30 PolarHBondContact O-N 3.17Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 2.85Å; R30-E32 VanDerWaalsContact C-N 3.26Å; R30-C33 PolarHBondContact O-N 3.21Å; R30-W81 HydrophobicContact CB-CZ2 4.18Å; R30-M751 PolarHBondContact NH2-SD 2.86Å
31	L	75.2	Confident	64.5	Low	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-65	-33.9	171.2	-73.2	167.1	0	0	0	110.7	L27 R28 F52 L55 R56 Y59 V89	L27-L31 PolarHBondContact O-N 3.35Å; L27-L31 VanDerWaalsContact O-N 3.07Å; R28-L31 CarbonylContact O-C 3.59Å; R28-L31 WeakPolarHBondContact O-CB 3.42Å; R28-L31 PolarHBondContact O-N 3.17Å; L31-F52 HydrophobicContact CD2-CE2 4.25Å; L31-L55 HydrophobicContact CD2-CB 4.37Å; L31-R56 WeakPolarHBondContact O-CD 3.34Å; L31-R56 PolarHBondContact O-NE 3.46Å; L31-R56 VanDerWaalsContact O-NE 3.09Å; L31-R56 PolarHBondContact O-NH1 2.88Å; L31-R56 PolarHBondContact O-NH2 3.48Å; L31-R56 VanDerWaalsContact O-NH2 3.17Å; L31-Y59 HydrophobicContact CB-CD2 3.77Å; L31-Y59 HydrophobicContact CB-CE2 4.42Å; L31-Y59 HydrophobicContact CB-CG 4.11Å; L31-Y59 HydrophobicContact CD1-CD2 4.29Å; L31-V89 HydrophobicContact CD1-CG1 3.72Å
32	E	75.9	Confident	62.8	Low	87 Å²	87	84.7 Å²	84.7	41%	0.407	44%	0.443	S	S	.	.	H	α-helix	trans	-69.7	-28.7	178.1	-79.7	165.9	-166.6	0	0	114.5	R28 S29 R30 R56 Y59	R28-E32 WeakPolarHBondContact CG-OE1 3.49Å; R28-E32 IonicContact NE-OE1 3.71Å; R28-E32 PolarHBondContact NE-OE1 2.99Å; R28-E32 WeakPolarHBondContact O-CG 3.45Å; R28-E32 PolarHBondContact O-N 3.45Å; S29-E32 WeakPolarHBondContact O-CB 3.35Å; S29-E32 PolarHBondContact O-N 3.32Å; R30-E32 VanDerWaalsContact C-N 3.26Å; E32-R56 VanDerWaalsContact C-NH2 3.28Å; E32-R56 PolarHBondContact O-NH2 2.9Å; E32-Y59 HydrophobicContact CG-CE1 4.29Å; E32-Y59 HydrophobicContact CG-CE2 3.83Å; E32-Y59 VanDerWaalsContact CG-CZ 3.47Å; E32-Y59 WeakPolarHBondContact CG-OH 3.49Å; E32-Y59 PolarHBondContact OE1-OH 3.14Å
33	C	66	Low	61.3	Low	73 Å²	73	85.3 Å²	85.3	49%	0.493	45%	0.453	S	S	.	.	S	Bend	trans	-61.1	143.3	-179.3	-69.8	0	0	0	0	112.7	S29 R30 R56	S29-C33 PolarHBondContact O-N 3.06Å; S29-C33 VanDerWaalsContact O-N 3.11Å; S29-C33 PolarHBondContact O-SG 3.43Å; R30-C33 PolarHBondContact O-N 3.21Å; C33-R56 PolarHBondContact O-NH2 3.2Å
34	D	54.1	Low	60.2	Low	119 Å²	119	87.8 Å²	87.8	64%	0.636	46%	0.464	S	S	*	.			trans	-73	131.5	-178.3	-139.6	-13.5	0	0	0	109.7	N36 A37	D34-N36 PolarHBondContact O-N 2.72Å; D34-A37 PolarHBondContact O-N 3.08Å
35	A	50.5	Low	58.8	Low	63 Å²	63	91.5 Å²	91.5	52%	0.521	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-1.7	-178.4	0	0	0	0	0	113.6
36	N	46.2	Very low	57.6	Low	138 Å²	138	87.4 Å²	87.4	74%	0.738	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	15.7	178	-66.1	-44.8	0	0	0	113.6	D34	D34-N36 PolarHBondContact O-N 2.72Å
37	A	42.7	Very low	56.8	Low	56 Å²	56	91.2 Å²	91.2	46%	0.463	51%	0.511	S	S	.	.			trans	-88.9	109.2	167.2	0	0	0	0	0	108.7	D34 L39	D34-A37 PolarHBondContact O-N 3.08Å; A37-L39 PolarHBondContact O-N 3.22Å
38	D	41.1	Very low	56.3	Low	151 Å²	151	92.6 Å²	92.6	81%	0.807	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	34.5	179.4	-61.7	-48	0	0	0	115.9
39	L	41.9	Very low	55.9	Low	157 Å²	157	93 Å²	93	82%	0.822	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	7.5	-168.9	-67.2	174.9	0	0	0	114	A37	A37-L39 PolarHBondContact O-N 3.22Å
40	V	46.7	Very low	56	Low	76 Å²	76	95 Å²	95	46%	0.461	53%	0.528	S	S	.	.	S	Bend	trans	-127.3	-8.1	-175.8	-157.5	0	0	0	0	113.4	D42 F44	V40-D42 VanDerWaalsContact C-N 3.32Å; V40-D42 PolarHBondContact O-N 2.75Å; V40-F44 HydrophobicContact CG1-CD2 3.64Å; V40-F44 HydrophobicContact CG1-CE2 3.31Å; V40-F44 HydrophobicContact CG1-CZ 4.47Å
41	E	43.5	Very low	56.4	Low	154 Å²	154	92.4 Å²	92.4	72%	0.72	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.3	-177.9	-69.8	-167.5	158.3	0	0	113.6	D43	E41-D43 PolarHBondContact O-N 3.37Å
42	D	44.1	Very low	56.7	Low	171 Å²	171	93.6 Å²	93.6	91%	0.914	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.5	-176.5	-78	-25.7	0	0	0	114.4	V40	V40-D42 VanDerWaalsContact C-N 3.32Å; V40-D42 PolarHBondContact O-N 2.75Å
43	D	47.7	Very low	57.1	Low	107 Å²	107	93.3 Å²	93.3	57%	0.572	53%	0.525	S	S	*	.	S	Bend	trans	-107.1	-6	-170.4	-98.9	-19.7	0	0	0	114.8	E41	E41-D43 PolarHBondContact O-N 3.37Å
44	F	50.2	Low	58.3	Low	54 Å²	54	90.4 Å²	90.4	24%	0.237	51%	0.505	C	S	.	.			trans	-117.2	128.6	-177.1	-72.5	-58.5	0	0	0	113.3	V40 S48 W81 F82	V40-F44 HydrophobicContact CG1-CD2 3.64Å; V40-F44 HydrophobicContact CG1-CE2 3.31Å; V40-F44 HydrophobicContact CG1-CZ 4.47Å; F44-S48 WeakPolarHBondContact CB-OG 3.41Å; F44-W81 HydrophobicContact CZ-CH2 4.17Å; F44-W81 HydrophobicContact CZ-CZ3 4.35Å; F44-F82 HydrophobicContact CE1-CZ 4.3Å; F44-F82 HydrophobicContact CZ-CE2 4.47Å; F44-F82 HydrophobicContact CZ-CZ 4.08Å
45	S	54.7	Low	59.9	Low	79 Å²	79	84.8 Å²	84.8	55%	0.552	48%	0.475	S	S	*	.			trans	-58.7	156.3	161.9	73.2	0	0	0	0	111.4	N47 S48 F49	S45-N47 PolarHBondContact O-N 2.74Å; S45-N47 VanDerWaalsContact O-N 3.15Å; S45-S48 WeakPolarHBondContact CA-OG 3.4Å; S45-S48 PolarHBondContact N-OG 3.44Å; S45-S48 PolarHBondContact O-N 3.28Å; S45-S48 PolarHBondContact O-OG 3.37Å; S45-S48 PolarHBondContact OG-N 3.41Å; S45-S48 PolarHBondContact OG-OG 3.35Å; S45-F49 PolarHBondContact O-N 3.07Å
46	A	53.8	Low	61.7	Low	84 Å²	84	83.6 Å²	83.6	69%	0.694	46%	0.457	S	S	*	.	H	α-helix	trans	-53.3	-38.6	179.8	0	0	0	0	0	113.3	S48 F49 E50	A46-S48 PolarHBondContact O-N 2.73Å; A46-F49 PolarHBondContact O-N 2.91Å; A46-E50 PolarHBondContact O-N 2.96Å
47	N	57.4	Low	63.9	Low	126 Å²	126	77.5 Å²	77.5	67%	0.674	43%	0.426	S	S	*	.	H	α-helix	trans	-68	-33.3	178.3	-67	-1	0	0	0	112.8	S45 F49 S51	S45-N47 PolarHBondContact O-N 2.74Å; S45-N47 VanDerWaalsContact O-N 3.15Å; N47-F49 VanDerWaalsContact C-N 3.31Å; N47-S51 PolarHBondContact O-N 2.92Å; N47-S51 PolarHBondContact O-OG 2.8Å
48	S	64.3	Low	66.2	Low	31 Å²	31	74.9 Å²	74.9	22%	0.217	40%	0.404	C	S	.	.	H	α-helix	trans	-72	-26.7	175.4	35.3	0	0	0	0	112.6	F44 S45 A46 F52	F44-S48 WeakPolarHBondContact CB-OG 3.41Å; S45-S48 WeakPolarHBondContact CA-OG 3.4Å; S45-S48 PolarHBondContact N-OG 3.44Å; S45-S48 PolarHBondContact O-N 3.28Å; S45-S48 PolarHBondContact O-OG 3.37Å; S45-S48 PolarHBondContact OG-N 3.41Å; S45-S48 PolarHBondContact OG-OG 3.35Å; A46-S48 PolarHBondContact O-N 2.73Å; S48-F52 WeakPolarHBondContact O-CB 3.45Å; S48-F52 PolarHBondContact O-N 2.77Å
49	F	69.6	Low	68.5	Low	93 Å²	93	70.6 Å²	70.6	41%	0.408	38%	0.377	S	S	.	.	H	α-helix	trans	-73.5	-45.6	178.7	-167.4	-106	0	0	0	112.6	S45 A46 N47 S51 F52 H53	S45-F49 PolarHBondContact O-N 3.07Å; A46-F49 PolarHBondContact O-N 2.91Å; N47-F49 VanDerWaalsContact C-N 3.31Å; F49-S51 PolarHBondContact O-N 3.46Å; F49-F52 WeakPolarHBondContact O-CB 3.5Å; F49-F52 PolarHBondContact O-N 2.88Å; F49-H53 AromaticContact CD1-CD2 3.62Å; F49-H53 AromaticContact CD1-NE2 3.68Å; F49-H53 AromaticContact CE1-CD2 3.44Å; F49-H53 VanDerWaalsContact CE1-CD2 3.44Å; F49-H53 WeakPolarHBondContact CE1-CD2 3.48Å; F49-H53 AromaticContact CE1-NE2 2.98Å; F49-H53 WeakPolarHBondContact CE1-NE2 3.42Å; F49-H53 AromaticContact CE2-NE2 3.77Å; F49-H53 AromaticContact CZ-CD2 3.86Å; F49-H53 AromaticContact CZ-NE2 3.04Å; F49-H53 WeakPolarHBondContact CZ-NE2 3.44Å; F49-H53 PolarHBondContact O-CD2 3.24Å; F49-H53 VanDerWaalsContact O-CD2 3.27Å; F49-H53 PolarHBondContact O-N 2.92Å; F49-H53 VanDerWaalsContact O-N 3.08Å
50	E	76.8	Confident	70.7	Confident	101 Å²	101	65.9 Å²	65.9	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-44.6	174.7	-173.8	178.2	-171.1	0	0	111.4	A46 F52 H53 L54 W69	A46-E50 PolarHBondContact O-N 2.96Å; E50-F52 VanDerWaalsContact C-N 3.31Å; E50-F52 PolarHBondContact O-N 2.88Å; E50-H53 PolarHBondContact O-N 3.45Å; E50-L54 HydrophobicContact CG-CD1 4.27Å; E50-L54 WeakPolarHBondContact O-CG 3.19Å; E50-L54 PolarHBondContact O-N 3.33Å; E50-L54 VanDerWaalsContact O-N 3.1Å; E50-W69 VanDerWaalsContact OE1-CD1 3.31Å; E50-W69 PolarHBondContact OE1-NE1 3.44Å
51	S	81.7	Confident	72.9	Confident	21 Å²	21	66.1 Å²	66.1	15%	0.147	35%	0.351	C	S	.	.	H	α-helix	trans	-56.4	-45.2	174.6	-58.3	0	0	0	0	111.3	N47 F49 H53 L54 L55	N47-S51 PolarHBondContact O-N 2.92Å; N47-S51 PolarHBondContact O-OG 2.8Å; F49-S51 PolarHBondContact O-N 3.46Å; S51-H53 PolarHBondContact O-N 3.26Å; S51-L54 PolarHBondContact O-N 3.3Å; S51-L55 WeakPolarHBondContact O-CB 3.35Å; S51-L55 WeakPolarHBondContact O-CD1 3.34Å; S51-L55 WeakPolarHBondContact O-CG 3.36Å; S51-L55 PolarHBondContact O-N 3.39Å
52	F	82.2	Confident	75.3	Confident	25 Å²	25	64.8 Å²	64.8	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-45.5	177.1	177.8	-122.7	0	0	0	112.6	L31 S48 F49 E50 L54 L55 R56 W81	L31-F52 HydrophobicContact CD2-CE2 4.25Å; S48-F52 WeakPolarHBondContact O-CB 3.45Å; S48-F52 PolarHBondContact O-N 2.77Å; F49-F52 WeakPolarHBondContact O-CB 3.5Å; F49-F52 PolarHBondContact O-N 2.88Å; E50-F52 VanDerWaalsContact C-N 3.31Å; E50-F52 PolarHBondContact O-N 2.88Å; F52-L54 PolarHBondContact O-N 3.3Å; F52-L55 PolarHBondContact O-N 2.73Å; F52-R56 WeakPolarHBondContact O-CB 3.48Å; F52-R56 PolarHBondContact O-N 3.06Å; F52-W81 HydrophobicContact CB-CZ3 3.77Å; F52-W81 AromaticContact CD2-CE3 3.85Å; F52-W81 HydrophobicContact CD2-CE3 3.85Å; F52-W81 AromaticContact CD2-CH2 3.07Å; F52-W81 HydrophobicContact CD2-CH2 3.07Å; F52-W81 AromaticContact CD2-CZ2 3.96Å; F52-W81 HydrophobicContact CD2-CZ2 3.96Å; F52-W81 AromaticContact CD2-CZ3 3.02Å; F52-W81 HydrophobicContact CD2-CZ3 3.02Å; F52-W81 AromaticContact CE2-CH2 3.29Å; F52-W81 HydrophobicContact CE2-CH2 3.29Å; F52-W81 AromaticContact CE2-CZ2 3.86Å; F52-W81 HydrophobicContact CE2-CZ2 3.86Å; F52-W81 AromaticContact CE2-CZ3 3.79Å; F52-W81 HydrophobicContact CE2-CZ3 3.79Å; F52-W81 AromaticContact CG-CH2 3.97Å; F52-W81 HydrophobicContact CG-CH2 3.97Å; F52-W81 AromaticContact CG-CZ3 3.7Å; F52-W81 HydrophobicContact CG-CZ3 3.7Å; F52-W81 HydrophobicContact CZ-CH2 4.37Å
53	H	84.7	Confident	77.7	Confident	81 Å²	81	58 Å²	58	38%	0.375	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-42.1	179.1	-82.6	-66.4	0	0	0	112.9	F49 E50 S51 R56 A57	F49-H53 AromaticContact CD1-CD2 3.62Å; F49-H53 AromaticContact CD1-NE2 3.68Å; F49-H53 AromaticContact CE1-CD2 3.44Å; F49-H53 VanDerWaalsContact CE1-CD2 3.44Å; F49-H53 WeakPolarHBondContact CE1-CD2 3.48Å; F49-H53 AromaticContact CE1-NE2 2.98Å; F49-H53 WeakPolarHBondContact CE1-NE2 3.42Å; F49-H53 AromaticContact CE2-NE2 3.77Å; F49-H53 AromaticContact CZ-CD2 3.86Å; F49-H53 AromaticContact CZ-NE2 3.04Å; F49-H53 WeakPolarHBondContact CZ-NE2 3.44Å; F49-H53 PolarHBondContact O-CD2 3.24Å; F49-H53 VanDerWaalsContact O-CD2 3.27Å; F49-H53 PolarHBondContact O-N 2.92Å; F49-H53 VanDerWaalsContact O-N 3.08Å; E50-H53 PolarHBondContact O-N 3.45Å; S51-H53 PolarHBondContact O-N 3.26Å; H53-R56 PolarHBondContact O-N 2.95Å; H53-A57 WeakPolarHBondContact O-CB 3.37Å; H53-A57 PolarHBondContact O-N 2.84Å
54	L	90.5	Very high	80	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-40.5	176.4	-67.8	168.4	0	0	0	111.8	E50 S51 F52 A57 I58 P65 V66 W69 L79	E50-L54 HydrophobicContact CG-CD1 4.27Å; E50-L54 WeakPolarHBondContact O-CG 3.19Å; E50-L54 PolarHBondContact O-N 3.33Å; E50-L54 VanDerWaalsContact O-N 3.1Å; S51-L54 PolarHBondContact O-N 3.3Å; F52-L54 PolarHBondContact O-N 3.3Å; L54-A57 VanDerWaalsContact O-CB 3.32Å; L54-A57 WeakPolarHBondContact O-CB 3.22Å; L54-A57 PolarHBondContact O-N 3.1Å; L54-I58 PolarHBondContact O-N 2.95Å; L54-P65 HydrophobicContact CD2-CB 4.35Å; L54-P65 WeakPolarHBondContact CD2-O 3.25Å; L54-V66 HydrophobicContact CD2-CG2 4.35Å; L54-W69 HydrophobicContact CD1-CB 4.15Å; L54-W69 HydrophobicContact CD1-CD2 3.51Å; L54-W69 HydrophobicContact CD1-CE3 4.19Å; L54-W69 HydrophobicContact CD1-CG 3.49Å; L54-W69 VanDerWaalsContact CD1-CG 3.49Å; L54-W69 HydrophobicContact CD1-CZ2 4.25Å; L54-W69 HydrophobicContact CD2-CB 3.9Å; L54-W69 HydrophobicContact CD2-CG 4.14Å; L54-W69 HydrophobicContact CG-CG 4.48Å; L54-L79 HydrophobicContact CB-CD1 3.66Å; L54-L79 HydrophobicContact CB-CD2 4.43Å; L54-L79 HydrophobicContact CD1-CD1 3.87Å; L54-L79 HydrophobicContact CG-CD1 4.45Å
55	L	88.8	Confident	82	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-35.7	175.7	-66.8	165.8	0	0	0	112.4	L31 S51 F52 A57 I58 Y59 L79 T80 W81 A86 V89	L31-L55 HydrophobicContact CD2-CB 4.37Å; S51-L55 WeakPolarHBondContact O-CB 3.35Å; S51-L55 WeakPolarHBondContact O-CD1 3.34Å; S51-L55 WeakPolarHBondContact O-CG 3.36Å; S51-L55 PolarHBondContact O-N 3.39Å; F52-L55 PolarHBondContact O-N 2.73Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-I58 HydrophobicContact CD2-CD1 4.23Å; L55-I58 WeakPolarHBondContact O-CB 3.33Å; L55-I58 PolarHBondContact O-N 3.34Å; L55-Y59 PolarHBondContact O-N 2.91Å; L55-L79 HydrophobicContact CD2-CD1 4.29Å; L55-L79 HydrophobicContact CD2-CG 4.09Å; L55-L79 HydrophobicContact CG-CD1 4.08Å; L55-L79 HydrophobicContact CG-CG 4.43Å; L55-T80 WeakPolarHBondContact CD1-O 3.43Å; L55-W81 HydrophobicContact CD1-CB 3.52Å; L55-W81 HydrophobicContact CD1-CD2 4.25Å; L55-W81 HydrophobicContact CD1-CE3 3.84Å; L55-W81 HydrophobicContact CD1-CG 4.18Å; L55-A86 HydrophobicContact CD2-CB 4.01Å; L55-V89 HydrophobicContact CD2-CB 4.24Å; L55-V89 HydrophobicContact CD2-CG1 4.43Å; L55-V89 HydrophobicContact CD2-CG2 4.02Å
56	R	87.8	Confident	83.9	Confident	39 Å²	39	55.2 Å²	55.2	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-36.6	170	-179.3	57.8	157.3	168.1	-20.1	111.3	L31 E32 C33 F52 H53 I58 Y59 D60	L31-R56 WeakPolarHBondContact O-CD 3.34Å; L31-R56 PolarHBondContact O-NE 3.46Å; L31-R56 VanDerWaalsContact O-NE 3.09Å; L31-R56 PolarHBondContact O-NH1 2.88Å; L31-R56 PolarHBondContact O-NH2 3.48Å; L31-R56 VanDerWaalsContact O-NH2 3.17Å; E32-R56 VanDerWaalsContact C-NH2 3.28Å; E32-R56 PolarHBondContact O-NH2 2.9Å; C33-R56 PolarHBondContact O-NH2 3.2Å; F52-R56 WeakPolarHBondContact O-CB 3.48Å; F52-R56 PolarHBondContact O-N 3.06Å; H53-R56 PolarHBondContact O-N 2.95Å; R56-I58 VanDerWaalsContact C-N 3.33Å; R56-I58 PolarHBondContact O-N 2.9Å; R56-Y59 WeakPolarHBondContact O-CB 3.47Å; R56-Y59 PolarHBondContact O-N 2.86Å; R56-Y59 VanDerWaalsContact O-N 3.16Å; R56-D60 IonicContact CZ-OD1 3.82Å; R56-D60 IonicContact NE-OD1 2.61Å; R56-D60 IonicContact NH1-OD1 3.89Å; R56-D60 PolarHBondContact NH1-OD1 3.09Å; R56-D60 WeakPolarHBondContact O-CB 3.1Å; R56-D60 PolarHBondContact O-N 3.43Å
57	A	91.4	Very high	85.9	Confident	10 Å²	10	53.5 Å²	53.5	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-37.7	174.4	0	0	0	0	0	111.9	H53 L54 L55 D60 N61 K62 V66	H53-A57 WeakPolarHBondContact O-CB 3.37Å; H53-A57 PolarHBondContact O-N 2.84Å; L54-A57 VanDerWaalsContact O-CB 3.32Å; L54-A57 WeakPolarHBondContact O-CB 3.22Å; L54-A57 PolarHBondContact O-N 3.1Å; L55-A57 VanDerWaalsContact C-N 3.32Å; A57-D60 PolarHBondContact O-N 3.14Å; A57-N61 PolarHBondContact O-N 3.12Å; A57-N61 VanDerWaalsContact O-N 3.08Å; A57-K62 WeakPolarHBondContact CB-O 3.29Å; A57-K62 PolarHBondContact O-N 3.06Å; A57-V66 HydrophobicContact CB-CG2 3.97Å
58	I	92.3	Very high	87.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-47.9	168.9	-69	170.1	0	0	0	111	L54 L55 R56 D60 N61 V66 L79 A86 V89 A90 N95 A98 L102	L54-I58 PolarHBondContact O-N 2.95Å; L55-I58 HydrophobicContact CD2-CD1 4.23Å; L55-I58 WeakPolarHBondContact O-CB 3.33Å; L55-I58 PolarHBondContact O-N 3.34Å; R56-I58 VanDerWaalsContact C-N 3.33Å; R56-I58 PolarHBondContact O-N 2.9Å; I58-D60 PolarHBondContact O-N 2.66Å; I58-N61 PolarHBondContact O-N 2.79Å; I58-V66 HydrophobicContact CG1-CG1 4.46Å; I58-V66 HydrophobicContact CG1-CG2 3.99Å; I58-L79 HydrophobicContact CD1-CD2 4.45Å; I58-A86 HydrophobicContact CD1-CB 3.99Å; I58-V89 HydrophobicContact CG2-CG1 4.31Å; I58-A90 HydrophobicContact CG2-CB 3.77Å; I58-N95 PolarHBondContact O-ND2 3Å; I58-A98 HydrophobicContact CG2-CB 3.84Å; I58-L102 HydrophobicContact CD1-CD1 4.11Å; I58-L102 HydrophobicContact CD1-CD2 4.49Å
59	Y	88.8	Confident	89.1	Confident	60 Å²	60	52.4 Å²	52.4	24%	0.235	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-46	178.2	175.3	-78.8	0	0	0	111.9	R28 L31 E32 L55 R56 N61 C93	R28-Y59 HydrophobicContact CG-CE2 4.23Å; L31-Y59 HydrophobicContact CB-CD2 3.77Å; L31-Y59 HydrophobicContact CB-CE2 4.42Å; L31-Y59 HydrophobicContact CB-CG 4.11Å; L31-Y59 HydrophobicContact CD1-CD2 4.29Å; E32-Y59 HydrophobicContact CG-CE1 4.29Å; E32-Y59 HydrophobicContact CG-CE2 3.83Å; E32-Y59 VanDerWaalsContact CG-CZ 3.47Å; E32-Y59 WeakPolarHBondContact CG-OH 3.49Å; E32-Y59 PolarHBondContact OE1-OH 3.14Å; L55-Y59 PolarHBondContact O-N 2.91Å; R56-Y59 WeakPolarHBondContact O-CB 3.47Å; R56-Y59 PolarHBondContact O-N 2.86Å; R56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-N61 PolarHBondContact O-N 3.35Å; Y59-C93 WeakPolarHBondContact CD2-SG 3.31Å
60	D	88.9	Confident	90.2	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.3	-179.8	-78.3	7.4	0	0	0	113.4	R56 A57 I58 K62	R56-D60 IonicContact CZ-OD1 3.82Å; R56-D60 IonicContact NE-OD1 2.61Å; R56-D60 IonicContact NH1-OD1 3.89Å; R56-D60 PolarHBondContact NH1-OD1 3.09Å; R56-D60 WeakPolarHBondContact O-CB 3.1Å; R56-D60 PolarHBondContact O-N 3.43Å; A57-D60 PolarHBondContact O-N 3.14Å; I58-D60 PolarHBondContact O-N 2.66Å; D60-K62 HydrophobicContact CB-CD 3.97Å; D60-K62 HydrophobicContact CB-CG 4.06Å; D60-K62 PolarHBondContact O-N 2.91Å; D60-K62 IonicContact OD2-NZ 2.85Å; D60-K62 PolarHBondContact OD2-NZ 3.33Å
61	N	91	Very high	91.1	Very high	80 Å²	80	49.8 Å²	49.8	43%	0.428	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.9	-171.2	-165.4	39	0	0	0	114.1	A57 I58 Y59 N95	A57-N61 PolarHBondContact O-N 3.12Å; A57-N61 VanDerWaalsContact O-N 3.08Å; I58-N61 PolarHBondContact O-N 2.79Å; Y59-N61 PolarHBondContact O-N 3.35Å; N61-N95 WeakPolarHBondContact CA-ND2 3.41Å; N61-N95 WeakPolarHBondContact CB-ND2 3.43Å; N61-N95 PolarHBondContact OD1-ND2 3.3Å; N61-N95 PolarHBondContact OD1-OD1 2.79Å; N61-N95 VanDerWaalsContact OD1-OD1 3.11Å
62	K	94	Very high	91.6	Very high	126 Å²	126	52.5 Å²	52.5	55%	0.548	26%	0.264	S	S	.	.			trans	-99.3	79.9	172.5	-66.1	170.5	-171.7	152	0	108	A57 D60 P65	A57-K62 WeakPolarHBondContact CB-O 3.29Å; A57-K62 PolarHBondContact O-N 3.06Å; D60-K62 HydrophobicContact CB-CD 3.97Å; D60-K62 HydrophobicContact CB-CG 4.06Å; D60-K62 PolarHBondContact O-N 2.91Å; D60-K62 IonicContact OD2-NZ 2.85Å; D60-K62 PolarHBondContact OD2-NZ 3.33Å; K62-P65 WeakPolarHBondContact O-CD 3.46Å
63	L	95.1	Very high	92	Very high	29 Å²	29	54.5 Å²	54.5	15%	0.152	29%	0.291	C	S	.	.			trans	-81.3	-15.6	-167.3	-54.5	-177.4	0	0	0	114.7	V66 E67 Q97 A98 L101	L63-V66 WeakPolarHBondContact O-CA 3.47Å; L63-V66 WeakPolarHBondContact O-CB 3.34Å; L63-V66 PolarHBondContact O-N 3.38Å; L63-E67 PolarHBondContact O-N 3.24Å; L63-Q97 HydrophobicContact CD1-CB 3.62Å; L63-A98 HydrophobicContact CD1-CB 4.32Å; L63-A98 HydrophobicContact CD2-CB 3.74Å; L63-L101 HydrophobicContact CB-CD2 3.94Å; L63-L101 HydrophobicContact CD1-CD2 4.39Å
64	E	95.6	Very high	92.2	Very high	121 Å²	121	53.9 Å²	53.9	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-51.8	-48.5	-179.1	-172.3	69.8	-159.7	0	0	113.6	V66 E67 Q68	E64-V66 VanDerWaalsContact C-N 3.26Å; E64-V66 PolarHBondContact O-N 2.75Å; E64-E67 PolarHBondContact O-N 3.23Å; E64-Q68 WeakPolarHBondContact O-CB 3.45Å; E64-Q68 VanDerWaalsContact O-CG 3.3Å; E64-Q68 WeakPolarHBondContact O-CG 3.03Å; E64-Q68 PolarHBondContact O-N 2.85Å; E64-Q68 PolarHBondContact OE1-NE2 2.96Å
65	P	93.9	Very high	92	Very high	60 Å²	60	57 Å²	57	39%	0.39	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-29.8	177.7	-18.4	34.3	0	0	0	112.9	L54 K62 W69	L54-P65 HydrophobicContact CD2-CB 4.35Å; L54-P65 WeakPolarHBondContact CD2-O 3.25Å; K62-P65 WeakPolarHBondContact O-CD 3.46Å; P65-W69 VanDerWaalsContact O-CB 3.23Å; P65-W69 WeakPolarHBondContact O-CB 3.41Å; P65-W69 PolarHBondContact O-N 3.25Å
66	V	94.1	Very high	92	Very high	1 Å²	1	58 Å²	58	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-72.5	-45.5	177.9	-174.1	0	0	0	0	110	L54 A57 I58 L63 E64 W69 L70 L79 L101 L102	L54-V66 HydrophobicContact CD2-CG2 4.35Å; A57-V66 HydrophobicContact CB-CG2 3.97Å; I58-V66 HydrophobicContact CG1-CG1 4.46Å; I58-V66 HydrophobicContact CG1-CG2 3.99Å; L63-V66 WeakPolarHBondContact O-CA 3.47Å; L63-V66 WeakPolarHBondContact O-CB 3.34Å; L63-V66 PolarHBondContact O-N 3.38Å; E64-V66 VanDerWaalsContact C-N 3.26Å; E64-V66 PolarHBondContact O-N 2.75Å; V66-W69 PolarHBondContact O-N 2.89Å; V66-L70 HydrophobicContact CG1-CD1 4.11Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.29Å; V66-L70 PolarHBondContact O-N 2.82Å; V66-L79 HydrophobicContact CG1-CD2 4.45Å; V66-L101 HydrophobicContact CB-CD2 4.47Å; V66-L101 HydrophobicContact CG1-CD2 4.42Å; V66-L102 HydrophobicContact CG1-CD2 4.42Å
67	E	95.7	Very high	91.8	Very high	48 Å²	48	62 Å²	62	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-45.9	176.5	-171.3	155.6	-144.3	0	0	110.9	L63 E64 W69 L70 E71 L101 K104 Y105	L63-E67 PolarHBondContact O-N 3.24Å; E64-E67 PolarHBondContact O-N 3.23Å; E67-W69 VanDerWaalsContact C-N 3.34Å; E67-W69 PolarHBondContact O-N 3.43Å; E67-L70 PolarHBondContact O-N 3.17Å; E67-L70 VanDerWaalsContact O-N 3.15Å; E67-E71 HydrophobicContact CG-CG 4.38Å; E67-E71 WeakPolarHBondContact O-CB 3.28Å; E67-E71 WeakPolarHBondContact O-CG 3.45Å; E67-E71 PolarHBondContact O-N 3.08Å; E67-L101 HydrophobicContact CB-CD1 4.15Å; E67-L101 HydrophobicContact CB-CD2 4.11Å; E67-L101 HydrophobicContact CG-CD1 4Å; E67-L101 WeakPolarHBondContact OE1-CD1 3.43Å; E67-K104 IonicContact OE1-NZ 3.01Å; E67-K104 PolarHBondContact OE1-NZ 3.25Å; E67-Y105 HydrophobicContact CG-CE2 4.09Å
68	Q	95	Very high	91.3	Very high	106 Å²	106	64.3 Å²	64.3	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.7	-71	175.7	7.6	0	0	112.7	E64 L70 E71 A72	E64-Q68 WeakPolarHBondContact O-CB 3.45Å; E64-Q68 VanDerWaalsContact O-CG 3.3Å; E64-Q68 WeakPolarHBondContact O-CG 3.03Å; E64-Q68 PolarHBondContact O-N 2.85Å; E64-Q68 PolarHBondContact OE1-NE2 2.96Å; Q68-L70 VanDerWaalsContact C-N 3.33Å; Q68-L70 PolarHBondContact O-N 3.41Å; Q68-E71 PolarHBondContact O-N 3.43Å; Q68-A72 PolarHBondContact O-N 3.22Å; Q68-A72 VanDerWaalsContact O-N 3.09Å
69	W	93	Very high	91	Very high	28 Å²	28	64.2 Å²	64.2	11%	0.106	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-37.6	176.7	-172.7	89	0	0	0	111.9	E50 L54 P65 V66 E67 N74 C75 L79	E50-W69 VanDerWaalsContact OE1-CD1 3.31Å; E50-W69 PolarHBondContact OE1-NE1 3.44Å; L54-W69 HydrophobicContact CD1-CB 4.15Å; L54-W69 HydrophobicContact CD1-CD2 3.51Å; L54-W69 HydrophobicContact CD1-CE3 4.19Å; L54-W69 HydrophobicContact CD1-CG 3.49Å; L54-W69 VanDerWaalsContact CD1-CG 3.49Å; L54-W69 HydrophobicContact CD1-CZ2 4.25Å; L54-W69 HydrophobicContact CD2-CB 3.9Å; L54-W69 HydrophobicContact CD2-CG 4.14Å; L54-W69 HydrophobicContact CG-CG 4.48Å; P65-W69 VanDerWaalsContact O-CB 3.23Å; P65-W69 WeakPolarHBondContact O-CB 3.41Å; P65-W69 PolarHBondContact O-N 3.25Å; V66-W69 PolarHBondContact O-N 2.89Å; E67-W69 VanDerWaalsContact C-N 3.34Å; E67-W69 PolarHBondContact O-N 3.43Å; W69-N74 HydrophobicContact CD2-CB 3.54Å; W69-N74 HydrophobicContact CE3-CB 3.64Å; W69-N74 HydrophobicContact CG-CB 4.32Å; W69-N74 HydrophobicContact CH2-CB 3.54Å; W69-N74 HydrophobicContact CZ2-CB 3.42Å; W69-N74 VanDerWaalsContact CZ2-CB 3.42Å; W69-N74 HydrophobicContact CZ3-CB 3.63Å; W69-N74 WeakPolarHBondContact O-CB 3.49Å; W69-N74 PolarHBondContact O-ND2 3.02Å; W69-C75 WeakPolarHBondContact CH2-O 3.42Å; W69-L79 HydrophobicContact CH2-CB 4.05Å; W69-L79 HydrophobicContact CZ3-CB 4.03Å; W69-L79 HydrophobicContact CZ3-CD2 4.41Å
70	L	93.1	Very high	90.6	Very high	11 Å²	11	63.6 Å²	63.6	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-72.2	-40.3	175.4	-67.1	167.7	0	0	0	112.4	V66 E67 Q68 A72 G73 L76 L102 Y105	V66-L70 HydrophobicContact CG1-CD1 4.11Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.29Å; V66-L70 PolarHBondContact O-N 2.82Å; E67-L70 PolarHBondContact O-N 3.17Å; E67-L70 VanDerWaalsContact O-N 3.15Å; Q68-L70 VanDerWaalsContact C-N 3.33Å; Q68-L70 PolarHBondContact O-N 3.41Å; L70-A72 PolarHBondContact O-N 3.48Å; L70-G73 PolarHBondContact O-N 3.21Å; L70-L76 HydrophobicContact CD2-CB 3.98Å; L70-L76 HydrophobicContact CD2-CD1 3.9Å; L70-L76 HydrophobicContact CD2-CG 4.38Å; L70-L102 HydrophobicContact CD1-CD2 4.39Å; L70-Y105 HydrophobicContact CB-CD1 3.82Å; L70-Y105 HydrophobicContact CB-CD2 4.35Å; L70-Y105 HydrophobicContact CB-CE1 3.98Å; L70-Y105 HydrophobicContact CB-CG 4.03Å; L70-Y105 HydrophobicContact CD1-CD2 3.82Å; L70-Y105 HydrophobicContact CD1-CE2 4.46Å; L70-Y105 HydrophobicContact CD1-CG 3.86Å; L70-Y105 HydrophobicContact CG-CG 4.44Å
71	E	94.9	Very high	89.9	Confident	128 Å²	128	61.3 Å²	61.3	60%	0.598	35%	0.35	S	S	*	.	H	α-helix	trans	-61.8	-30	175.7	-75	-178.7	167.4	0	0	112.6	E67 Q68 G73 Y105	E67-E71 HydrophobicContact CG-CG 4.38Å; E67-E71 WeakPolarHBondContact O-CB 3.28Å; E67-E71 WeakPolarHBondContact O-CG 3.45Å; E67-E71 PolarHBondContact O-N 3.08Å; Q68-E71 PolarHBondContact O-N 3.43Å; E71-G73 PolarHBondContact O-N 3.44Å; E71-G73 VanDerWaalsContact O-N 3.16Å; E71-Y105 HydrophobicContact CG-CE1 4.45Å; E71-Y105 WeakPolarHBondContact CG-OH 3.47Å
72	A	93.1	Very high	88.7	Confident	78 Å²	78	60.4 Å²	60.4	65%	0.645	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.4	173.1	0	0	0	0	0	113.9	Q68 L70	Q68-A72 PolarHBondContact O-N 3.22Å; Q68-A72 VanDerWaalsContact O-N 3.09Å; L70-A72 PolarHBondContact O-N 3.48Å
73	G	90	Very high	87.6	Confident	66 Å²	66	57.2 Å²	57.2	68%	0.68	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	14.7	177.3	0	0	0	0	0	114.2	L70 E71	L70-G73 PolarHBondContact O-N 3.21Å; E71-G73 PolarHBondContact O-N 3.44Å; E71-G73 VanDerWaalsContact O-N 3.16Å
74	N	89.4	Confident	86.9	Confident	68 Å²	68	55.8 Å²	55.8	36%	0.364	34%	0.338	S	S	.	.			trans	-64.9	145	174.7	-67.7	-70	0	0	0	111.1	W69 L76	W69-N74 HydrophobicContact CD2-CB 3.54Å; W69-N74 HydrophobicContact CE3-CB 3.64Å; W69-N74 HydrophobicContact CG-CB 4.32Å; W69-N74 HydrophobicContact CH2-CB 3.54Å; W69-N74 HydrophobicContact CZ2-CB 3.42Å; W69-N74 VanDerWaalsContact CZ2-CB 3.42Å; W69-N74 HydrophobicContact CZ3-CB 3.63Å; W69-N74 WeakPolarHBondContact O-CB 3.49Å; W69-N74 PolarHBondContact O-ND2 3.02Å; N74-L76 PolarHBondContact O-N 2.78Å
75	C	87.1	Confident	86.6	Confident	77 Å²	77	51.6 Å²	51.6	52%	0.52	32%	0.321	S	S	.	.			trans	-72.1	114.1	-176.3	-175.7	0	0	0	0	110.8	W69 D77 A78	W69-C75 WeakPolarHBondContact CH2-O 3.42Å; C75-D77 PolarHBondContact O-N 3.35Å; C75-A78 HydrophobicContact CB-CB 4.26Å; C75-A78 VanDerWaalsContact O-CB 3.29Å; C75-A78 WeakPolarHBondContact O-CB 3.35Å; C75-A78 PolarHBondContact O-N 2.76Å
76	L	88.9	Confident	86.6	Confident	22 Å²	22	48.8 Å²	48.8	12%	0.115	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.5	-33.5	177.6	176.8	55.6	0	0	0	113	L70 N74 A78 L79 L102 A107	L70-L76 HydrophobicContact CD2-CB 3.98Å; L70-L76 HydrophobicContact CD2-CD1 3.9Å; L70-L76 HydrophobicContact CD2-CG 4.38Å; N74-L76 PolarHBondContact O-N 2.78Å; L76-A78 PolarHBondContact O-N 2.83Å; L76-L79 WeakPolarHBondContact O-CB 3.38Å; L76-L79 PolarHBondContact O-N 3.43Å; L76-L79 VanDerWaalsContact O-N 3.08Å; L76-L102 HydrophobicContact CD1-CD2 3.67Å; L76-A107 VanDerWaalsContact CD2-CA 3.46Å; L76-A107 HydrophobicContact CD2-CB 3.76Å; L76-A107 VanDerWaalsContact CD2-N 3.28Å
77	D	83	Confident	86.7	Confident	123 Å²	123	48.9 Å²	48.9	66%	0.658	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19.5	176.9	-64.7	-23.7	0	0	0	112.9	C75 T80	C75-D77 PolarHBondContact O-N 3.35Å; D77-T80 VanDerWaalsContact O-CG2 3.31Å; D77-T80 WeakPolarHBondContact O-CG2 3.4Å
78	A	80.2	Confident	86.6	Confident	58 Å²	58	46.6 Å²	46.6	48%	0.479	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-80.3	-20	174.6	0	0	0	0	0	112.7	C75 L76 T80	C75-A78 HydrophobicContact CB-CB 4.26Å; C75-A78 VanDerWaalsContact O-CB 3.29Å; C75-A78 WeakPolarHBondContact O-CB 3.35Å; C75-A78 PolarHBondContact O-N 2.76Å; L76-A78 PolarHBondContact O-N 2.83Å; A78-T80 VanDerWaalsContact C-N 3.34Å; A78-T80 PolarHBondContact O-N 3.34Å
79	L	86	Confident	86.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.269	C	S	.	.			trans	-78.4	85	179.5	-172.4	61.9	0	0	0	110	L54 L55 I58 V66 W69 L76 A86	L54-L79 HydrophobicContact CB-CD1 3.66Å; L54-L79 HydrophobicContact CB-CD2 4.43Å; L54-L79 HydrophobicContact CD1-CD1 3.87Å; L54-L79 HydrophobicContact CG-CD1 4.45Å; L55-L79 HydrophobicContact CD2-CD1 4.29Å; L55-L79 HydrophobicContact CD2-CG 4.09Å; L55-L79 HydrophobicContact CG-CD1 4.08Å; L55-L79 HydrophobicContact CG-CG 4.43Å; I58-L79 HydrophobicContact CD1-CD2 4.45Å; V66-L79 HydrophobicContact CG1-CD2 4.45Å; W69-L79 HydrophobicContact CH2-CB 4.05Å; W69-L79 HydrophobicContact CZ3-CB 4.03Å; W69-L79 HydrophobicContact CZ3-CD2 4.41Å; L76-L79 WeakPolarHBondContact O-CB 3.38Å; L76-L79 PolarHBondContact O-N 3.43Å; L76-L79 VanDerWaalsContact O-N 3.08Å; L79-A86 HydrophobicContact CB-CB 4.23Å; L79-A86 HydrophobicContact CD2-CB 3.71Å; L79-A86 HydrophobicContact CG-CB 3.81Å; L79-A86 WeakPolarHBondContact O-CB 3.39Å; L79-A86 PolarHBondContact O-N 3.14Å
80	T	81.7	Confident	86.5	Confident	46 Å²	46	40.2 Å²	40.2	28%	0.282	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.9	-176.9	72.9	0	0	0	0	112.4	L55 D77 A78 M84	L55-T80 WeakPolarHBondContact CD1-O 3.43Å; D77-T80 VanDerWaalsContact O-CG2 3.31Å; D77-T80 WeakPolarHBondContact O-CG2 3.4Å; A78-T80 VanDerWaalsContact C-N 3.34Å; A78-T80 PolarHBondContact O-N 3.34Å; T80-M84 CarbonylContact C-O 3.58Å; T80-M84 WeakPolarHBondContact CA-O 3.48Å; T80-M84 WeakPolarHBondContact CB-O 3.14Å
81	W	72.8	Confident	86.7	Confident	12 Å²	12	39.7 Å²	39.7	5%	0.045	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.9	172.7	-171	-122.1	0	0	0	108.5	R30 F44 F52 L55 G83 M84 V89	R30-W81 HydrophobicContact CB-CZ2 4.18Å; F44-W81 HydrophobicContact CZ-CH2 4.17Å; F44-W81 HydrophobicContact CZ-CZ3 4.35Å; F52-W81 HydrophobicContact CB-CZ3 3.77Å; F52-W81 AromaticContact CD2-CE3 3.85Å; F52-W81 HydrophobicContact CD2-CE3 3.85Å; F52-W81 AromaticContact CD2-CH2 3.07Å; F52-W81 HydrophobicContact CD2-CH2 3.07Å; F52-W81 AromaticContact CD2-CZ2 3.96Å; F52-W81 HydrophobicContact CD2-CZ2 3.96Å; F52-W81 AromaticContact CD2-CZ3 3.02Å; F52-W81 HydrophobicContact CD2-CZ3 3.02Å; F52-W81 AromaticContact CE2-CH2 3.29Å; F52-W81 HydrophobicContact CE2-CH2 3.29Å; F52-W81 AromaticContact CE2-CZ2 3.86Å; F52-W81 HydrophobicContact CE2-CZ2 3.86Å; F52-W81 AromaticContact CE2-CZ3 3.79Å; F52-W81 HydrophobicContact CE2-CZ3 3.79Å; F52-W81 AromaticContact CG-CH2 3.97Å; F52-W81 HydrophobicContact CG-CH2 3.97Å; F52-W81 AromaticContact CG-CZ3 3.7Å; F52-W81 HydrophobicContact CG-CZ3 3.7Å; F52-W81 HydrophobicContact CZ-CH2 4.37Å; L55-W81 HydrophobicContact CD1-CB 3.52Å; L55-W81 HydrophobicContact CD1-CD2 4.25Å; L55-W81 HydrophobicContact CD1-CE3 3.84Å; L55-W81 HydrophobicContact CD1-CG 4.18Å; W81-G83 PolarHBondContact O-N 3.13Å; W81-M84 PolarHBondContact N-O 3.36Å; W81-M84 VanDerWaalsContact O-CB 3.23Å; W81-M84 WeakPolarHBondContact O-CB 3.23Å; W81-M84 PolarHBondContact O-N 3.22Å; W81-V89 HydrophobicContact CB-CG2 4.05Å
82	F	67.1	Low	86.6	Confident	61 Å²	61	33.8 Å²	33.8	27%	0.268	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.9	-174.5	-66.4	-91.4	0	0	0	112.7	F44 M84 I753	F44-F82 HydrophobicContact CE1-CZ 4.3Å; F44-F82 HydrophobicContact CZ-CE2 4.47Å; F44-F82 HydrophobicContact CZ-CZ 4.08Å; F82-M84 VanDerWaalsContact C-N 3.29Å; F82-M84 PolarHBondContact O-N 3.31Å; F82-I753 HydrophobicContact CB-CD1 3.1Å; F82-I753 HydrophobicContact CB-CG1 3.63Å; F82-I753 HydrophobicContact CD1-CD1 4.46Å; F82-I753 HydrophobicContact CD1-CG1 4.16Å; F82-I753 HydrophobicContact CD2-CD1 4.48Å; F82-I753 HydrophobicContact CG-CD1 3.84Å; F82-I753 HydrophobicContact CG-CG1 4.03Å
83	G	70.3	Confident	86.5	Confident	58 Å²	58	31.1 Å²	31.1	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	-5.3	-177.9	0	0	0	0	0	115.3	W81 P85	W81-G83 PolarHBondContact O-N 3.13Å; G83-P85 WeakPolarHBondContact O-CD 3.32Å
84	M	80.4	Confident	86.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122	172.9	-174.2	168.4	79.2	0	0	110.4	Y24 L27 T80 W81 F82 H88 V89 L92 D113	Y24-M84 HydrophobicContact CE1-SD 4.31Å; L27-M84 HydrophobicContact CD1-CE 3.98Å; L27-M84 HydrophobicContact CD1-SD 4.08Å; T80-M84 CarbonylContact C-O 3.58Å; T80-M84 WeakPolarHBondContact CA-O 3.48Å; T80-M84 WeakPolarHBondContact CB-O 3.14Å; W81-M84 PolarHBondContact N-O 3.36Å; W81-M84 VanDerWaalsContact O-CB 3.23Å; W81-M84 WeakPolarHBondContact O-CB 3.23Å; W81-M84 PolarHBondContact O-N 3.22Å; F82-M84 VanDerWaalsContact C-N 3.29Å; F82-M84 PolarHBondContact O-N 3.31Å; M84-H88 HydrophobicContact CE-CB 4.41Å; M84-H88 HydrophobicContact CG-CB 3.43Å; M84-H88 VanDerWaalsContact CG-CB 3.43Å; M84-H88 HydrophobicContact SD-CB 3.8Å; M84-V89 HydrophobicContact CE-CB 4.4Å; M84-V89 HydrophobicContact CE-CG2 3.39Å; M84-L92 HydrophobicContact CE-CD2 4.37Å; M84-D113 HydrophobicContact CG-CB 4.41Å
85	P	89.5	Confident	87	Confident	32 Å²	32	28.5 Å²	28.5	21%	0.208	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	151	-179.9	-24.5	33.8	0	0	0	113.7	G83 L87 H88 V89 A111	G83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-L87 PolarHBondContact O-N 3.04Å; P85-L87 VanDerWaalsContact O-N 3.1Å; P85-H88 WeakPolarHBondContact O-CB 3.46Å; P85-H88 PolarHBondContact O-N 2.97Å; P85-V89 PolarHBondContact O-N 3.17Å; P85-A111 HydrophobicContact CG-CB 4Å
86	A	93.2	Very high	87.5	Confident	2 Å²	2	25.9 Å²	25.9	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-52.2	-34.3	177.1	0	0	0	0	0	113.7	L55 I58 L79 H88 V89 A90 L102	L55-A86 HydrophobicContact CD2-CB 4.01Å; I58-A86 HydrophobicContact CD1-CB 3.99Å; L79-A86 HydrophobicContact CB-CB 4.23Å; L79-A86 HydrophobicContact CD2-CB 3.71Å; L79-A86 HydrophobicContact CG-CB 3.81Å; L79-A86 WeakPolarHBondContact O-CB 3.39Å; L79-A86 PolarHBondContact O-N 3.14Å; A86-H88 VanDerWaalsContact C-N 3.34Å; A86-H88 PolarHBondContact O-N 3.44Å; A86-V89 WeakPolarHBondContact O-CB 3.45Å; A86-V89 PolarHBondContact O-N 3.01Å; A86-A90 PolarHBondContact O-N 3.13Å; A86-L102 HydrophobicContact CB-CD1 4.04Å; A86-L102 HydrophobicContact CB-CD2 4.09Å
87	L	96.1	Very high	87.9	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-40.3	178.3	-176.2	58.8	0	0	0	111.7	P85 A90 V91 V99 L102 L103 A107 P119	P85-L87 PolarHBondContact O-N 3.04Å; P85-L87 VanDerWaalsContact O-N 3.1Å; L87-A90 PolarHBondContact O-N 3.46Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.47Å; L87-V99 HydrophobicContact CD1-CB 4.41Å; L87-V99 HydrophobicContact CD1-CG1 4.02Å; L87-V99 HydrophobicContact CD1-CG2 4.34Å; L87-L102 HydrophobicContact CD1-CB 4.33Å; L87-L103 HydrophobicContact CD1-CD2 4.41Å; L87-L103 HydrophobicContact CD1-CG 4.34Å; L87-L103 HydrophobicContact CD2-CD2 3.96Å; L87-A107 HydrophobicContact CB-CB 4.2Å; L87-A107 HydrophobicContact CD2-CB 3.94Å; L87-A107 HydrophobicContact CG-CB 4.49Å; L87-P119 HydrophobicContact CB-CG 4.47Å; L87-P119 HydrophobicContact CD2-CB 4.24Å; L87-P119 HydrophobicContact CD2-CG 3.6Å; L87-P119 HydrophobicContact CG-CB 4.15Å; L87-P119 HydrophobicContact CG-CG 3.72Å
88	H	93.4	Very high	88.5	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-39.2	174.3	-68.5	69.8	0	0	0	111.8	M84 P85 A86 V91 L92 A111 D113 F117 I122	M84-H88 HydrophobicContact CE-CB 4.41Å; M84-H88 HydrophobicContact CG-CB 3.43Å; M84-H88 VanDerWaalsContact CG-CB 3.43Å; M84-H88 HydrophobicContact SD-CB 3.8Å; P85-H88 WeakPolarHBondContact O-CB 3.46Å; P85-H88 PolarHBondContact O-N 2.97Å; A86-H88 VanDerWaalsContact C-N 3.34Å; A86-H88 PolarHBondContact O-N 3.44Å; H88-V91 PolarHBondContact O-N 3.2Å; H88-L92 VanDerWaalsContact O-CB 3.27Å; H88-L92 WeakPolarHBondContact O-CB 3.36Å; H88-L92 PolarHBondContact O-N 2.83Å; H88-A111 PolarHBondContact CE1-O 3.05Å; H88-A111 PolarHBondContact NE2-O 3.23Å; H88-D113 PolarHBondContact NE2-N 3.2Å; H88-F117 PolarHBondContact NE2-O 3.13Å; H88-I122 HydrophobicContact CB-CD1 3.97Å
89	V	91.3	Very high	89.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-47.6	174.8	177	0	0	0	0	110.5	L31 L55 I58 W81 M84 P85 A86 V91 L92 C93	L31-V89 HydrophobicContact CD1-CG1 3.72Å; L55-V89 HydrophobicContact CD2-CB 4.24Å; L55-V89 HydrophobicContact CD2-CG1 4.43Å; L55-V89 HydrophobicContact CD2-CG2 4.02Å; I58-V89 HydrophobicContact CG2-CG1 4.31Å; W81-V89 HydrophobicContact CB-CG2 4.05Å; M84-V89 HydrophobicContact CE-CB 4.4Å; M84-V89 HydrophobicContact CE-CG2 3.39Å; P85-V89 PolarHBondContact O-N 3.17Å; A86-V89 WeakPolarHBondContact O-CB 3.45Å; A86-V89 PolarHBondContact O-N 3.01Å; V89-V91 VanDerWaalsContact C-N 3.32Å; V89-V91 PolarHBondContact O-N 3.44Å; V89-L92 PolarHBondContact O-N 3.35Å; V89-C93 WeakPolarHBondContact O-CB 3.48Å; V89-C93 PolarHBondContact O-N 3.42Å; V89-C93 PolarHBondContact O-SG 3.02Å
90	A	95.5	Very high	89.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-43.3	177.1	0	0	0	0	0	112.5	I58 A86 L87 C93 N94 N95 A98 V99 L102	I58-A90 HydrophobicContact CG2-CB 3.77Å; A86-A90 PolarHBondContact O-N 3.13Å; L87-A90 PolarHBondContact O-N 3.46Å; A90-C93 PolarHBondContact O-N 3.18Å; A90-N94 PolarHBondContact O-N 3.5Å; A90-N95 PolarHBondContact O-N 3.38Å; A90-A98 HydrophobicContact CB-CB 3.69Å; A90-V99 HydrophobicContact CB-CG2 3.82Å; A90-L102 HydrophobicContact CB-CD1 3.7Å
91	V	96.5	Very high	90.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-44.6	175.4	174.5	0	0	0	0	111.8	L87 H88 V89 C93 N94 V99 P119 I122 A123 Y128 V131 L135	L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.47Å; H88-V91 PolarHBondContact O-N 3.2Å; V89-V91 VanDerWaalsContact C-N 3.32Å; V89-V91 PolarHBondContact O-N 3.44Å; V91-C93 PolarHBondContact O-N 3.04Å; V91-N94 WeakPolarHBondContact O-CA 3.42Å; V91-N94 PolarHBondContact O-N 3.07Å; V91-V99 HydrophobicContact CG2-CG2 3.73Å; V91-P119 HydrophobicContact CG2-CB 3.91Å; V91-I122 HydrophobicContact CB-CG2 4.48Å; V91-I122 HydrophobicContact CG1-CB 3.8Å; V91-I122 HydrophobicContact CG1-CG2 3.68Å; V91-A123 HydrophobicContact CG1-CB 3.94Å; V91-Y128 VanDerWaalsContact O-CD2 3.22Å; V91-Y128 WeakPolarHBondContact O-CD2 3.39Å; V91-Y128 WeakPolarHBondContact O-CE2 2.87Å; V91-V131 HydrophobicContact CB-CG1 4.26Å; V91-V131 HydrophobicContact CG1-CG1 3.91Å; V91-V131 HydrophobicContact CG2-CG1 3.72Å; V91-L135 HydrophobicContact CG2-CD1 4.11Å
92	L	92.5	Very high	91.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-34	179.4	-179.1	63.8	0	0	0	112.1	Y24 L27 M84 H88 V89 N94 I122 F126	Y24-L92 HydrophobicContact CD1-CD1 4.06Å; Y24-L92 HydrophobicContact CD1-CD2 4.03Å; Y24-L92 HydrophobicContact CG-CD1 3.88Å; L27-L92 HydrophobicContact CB-CD2 4.44Å; M84-L92 HydrophobicContact CE-CD2 4.37Å; H88-L92 VanDerWaalsContact O-CB 3.27Å; H88-L92 WeakPolarHBondContact O-CB 3.36Å; H88-L92 PolarHBondContact O-N 2.83Å; V89-L92 PolarHBondContact O-N 3.35Å; L92-N94 PolarHBondContact O-N 3.14Å; L92-I122 HydrophobicContact CB-CG2 4.49Å; L92-I122 HydrophobicContact CD1-CG2 4.45Å; L92-F126 HydrophobicContact CD1-CD2 4.28Å; L92-F126 HydrophobicContact CD1-CE2 3.52Å; L92-F126 HydrophobicContact CD1-CZ 3.88Å
93	C	91.3	Very high	93.2	Very high	22 Å²	22	23 Å²	23	15%	0.149	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.4	173.2	-66.3	0	0	0	0	113.7	Y59 V89 A90 V91 N95	Y59-C93 WeakPolarHBondContact CD2-SG 3.31Å; V89-C93 WeakPolarHBondContact O-CB 3.48Å; V89-C93 PolarHBondContact O-N 3.42Å; V89-C93 PolarHBondContact O-SG 3.02Å; A90-C93 PolarHBondContact O-N 3.18Å; V91-C93 PolarHBondContact O-N 3.04Å; C93-N95 HydrophobicContact CB-CB 4.32Å; C93-N95 PolarHBondContact O-N 3.4Å
94	N	95.4	Very high	94.5	Very high	71 Å²	71	27 Å²	27	38%	0.38	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.1	-171.4	-167.8	28.7	0	0	0	112.7	A90 V91 L92 V96 Y128 V131	A90-N94 PolarHBondContact O-N 3.5Å; V91-N94 WeakPolarHBondContact O-CA 3.42Å; V91-N94 PolarHBondContact O-N 3.07Å; L92-N94 PolarHBondContact O-N 3.14Å; N94-V96 PolarHBondContact O-N 3.09Å; N94-Y128 HydrophobicContact CB-CD1 4Å; N94-Y128 HydrophobicContact CB-CD2 3.85Å; N94-Y128 HydrophobicContact CB-CE1 3.94Å; N94-Y128 HydrophobicContact CB-CE2 3.78Å; N94-Y128 HydrophobicContact CB-CG 3.97Å; N94-Y128 WeakPolarHBondContact OD1-CB 3.5Å; N94-V131 WeakPolarHBondContact OD1-CG2 3.24Å
95	N	95.3	Very high	95.2	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.048	15%	0.148	C	C	.	.			trans	-92.5	92.3	-178.3	-173.2	-18.5	0	0	0	110.2	I58 N61 A90 C93 Q97 A98 V99	I58-N95 PolarHBondContact O-ND2 3Å; N61-N95 WeakPolarHBondContact CA-ND2 3.41Å; N61-N95 WeakPolarHBondContact CB-ND2 3.43Å; N61-N95 PolarHBondContact OD1-ND2 3.3Å; N61-N95 PolarHBondContact OD1-OD1 2.79Å; N61-N95 VanDerWaalsContact OD1-OD1 3.11Å; A90-N95 PolarHBondContact O-N 3.38Å; C93-N95 HydrophobicContact CB-CB 4.32Å; C93-N95 PolarHBondContact O-N 3.4Å; N95-Q97 VanDerWaalsContact C-N 3.3Å; N95-Q97 PolarHBondContact O-N 3.06Å; N95-Q97 PolarHBondContact OD1-N 2.61Å; N95-A98 HydrophobicContact CB-CB 3.87Å; N95-A98 VanDerWaalsContact CG-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.34Å; N95-A98 PolarHBondContact OD1-N 3.15Å; N95-V99 WeakPolarHBondContact O-CG2 3.36Å; N95-V99 PolarHBondContact O-N 3.41Å
96	V	97	Very high	95.5	Very high	21 Å²	21	31.7 Å²	31.7	13%	0.127	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-40.1	-177.5	-177.3	0	0	0	0	111.8	N94 V99 E100 R130 V131 L134	N94-V96 PolarHBondContact O-N 3.09Å; V96-V99 PolarHBondContact O-N 2.86Å; V96-E100 PolarHBondContact O-N 3Å; V96-R130 HydrophobicContact CG2-CB 3.94Å; V96-V131 HydrophobicContact CG2-CG2 3.8Å; V96-L134 HydrophobicContact CG1-CD2 3.94Å
97	Q	97.2	Very high	95.6	Very high	93 Å²	93	32.2 Å²	32.2	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-68.2	-40.2	-179.6	-67.9	82.7	-6.4	0	0	111.7	L63 N95 E100 L101	L63-Q97 HydrophobicContact CD1-CB 3.62Å; N95-Q97 VanDerWaalsContact C-N 3.3Å; N95-Q97 PolarHBondContact O-N 3.06Å; N95-Q97 PolarHBondContact OD1-N 2.61Å; Q97-E100 PolarHBondContact O-N 2.93Å; Q97-L101 WeakPolarHBondContact O-CB 3.18Å; Q97-L101 PolarHBondContact O-N 3.36Å
98	A	96.8	Very high	95.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-41.2	174.3	0	0	0	0	0	111.5	I58 L63 A90 N95 E100 L101 L102	I58-A98 HydrophobicContact CG2-CB 3.84Å; L63-A98 HydrophobicContact CD1-CB 4.32Å; L63-A98 HydrophobicContact CD2-CB 3.74Å; A90-A98 HydrophobicContact CB-CB 3.69Å; N95-A98 HydrophobicContact CB-CB 3.87Å; N95-A98 VanDerWaalsContact CG-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.34Å; N95-A98 PolarHBondContact OD1-N 3.15Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.26Å; A98-L101 PolarHBondContact O-N 2.86Å; A98-L102 WeakPolarHBondContact O-CB 3.38Å; A98-L102 WeakPolarHBondContact O-CD1 3.42Å; A98-L102 WeakPolarHBondContact O-CG 3.27Å; A98-L102 PolarHBondContact O-N 3.45Å
99	V	97.9	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-47	174.9	172.9	0	0	0	0	110.4	L87 A90 V91 N95 V96 L102 L103 V131 L134 L135	L87-V99 HydrophobicContact CD1-CB 4.41Å; L87-V99 HydrophobicContact CD1-CG1 4.02Å; L87-V99 HydrophobicContact CD1-CG2 4.34Å; A90-V99 HydrophobicContact CB-CG2 3.82Å; V91-V99 HydrophobicContact CG2-CG2 3.73Å; N95-V99 WeakPolarHBondContact O-CG2 3.36Å; N95-V99 PolarHBondContact O-N 3.41Å; V96-V99 PolarHBondContact O-N 2.86Å; V99-L102 PolarHBondContact O-N 3.07Å; V99-L103 HydrophobicContact CG1-CD1 3.82Å; V99-L103 HydrophobicContact CG1-CG 4.4Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 3.21Å; V99-V131 HydrophobicContact CG2-CG1 4.17Å; V99-L134 HydrophobicContact CB-CD2 4.04Å; V99-L134 HydrophobicContact CG1-CD2 3.64Å; V99-L134 HydrophobicContact CG1-CG 4.28Å; V99-L135 HydrophobicContact CG1-CD2 4.09Å; V99-L135 HydrophobicContact CG1-CG 4.47Å
100	E	97.7	Very high	95.9	Very high	119 Å²	119	38.6 Å²	38.6	56%	0.556	21%	0.205	S	C	*	.	H	α-helix	trans	-61.2	-45.1	177.7	-173.3	168.6	-146.2	0	0	112.4	V96 Q97 A98 L103 K104 L134	V96-E100 PolarHBondContact O-N 3Å; Q97-E100 PolarHBondContact O-N 2.93Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.26Å; E100-L103 PolarHBondContact O-N 2.92Å; E100-K104 WeakPolarHBondContact O-CB 3.19Å; E100-K104 PolarHBondContact O-N 3.01Å; E100-L134 HydrophobicContact CB-CD2 4.15Å
101	L	97	Very high	95.7	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-51.1	176.7	179.9	66.7	0	0	0	111.7	L63 V66 E67 Q97 A98 L103 K104 Y105	L63-L101 HydrophobicContact CB-CD2 3.94Å; L63-L101 HydrophobicContact CD1-CD2 4.39Å; V66-L101 HydrophobicContact CB-CD2 4.47Å; V66-L101 HydrophobicContact CG1-CD2 4.42Å; E67-L101 HydrophobicContact CB-CD1 4.15Å; E67-L101 HydrophobicContact CB-CD2 4.11Å; E67-L101 HydrophobicContact CG-CD1 4Å; E67-L101 WeakPolarHBondContact OE1-CD1 3.43Å; Q97-L101 WeakPolarHBondContact O-CB 3.18Å; Q97-L101 PolarHBondContact O-N 3.36Å; A98-L101 PolarHBondContact O-N 2.86Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 2.86Å; L101-K104 WeakPolarHBondContact O-CB 3.3Å; L101-K104 PolarHBondContact O-N 2.9Å; L101-Y105 HydrophobicContact CD1-CD2 3.84Å; L101-Y105 HydrophobicContact CD1-CE2 3.58Å; L101-Y105 HydrophobicContact CG-CD2 4.34Å; L101-Y105 HydrophobicContact CG-CE2 4.49Å; L101-Y105 WeakPolarHBondContact O-CD2 3.46Å; L101-Y105 PolarHBondContact O-N 2.99Å; L101-Y105 VanDerWaalsContact O-N 3.14Å
102	L	96.8	Very high	95.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-38.9	-177.7	-66.3	169	0	0	0	111.4	I58 V66 L70 L76 A86 L87 A90 A98 V99 Y105 G106 A107	I58-L102 HydrophobicContact CD1-CD1 4.11Å; I58-L102 HydrophobicContact CD1-CD2 4.49Å; V66-L102 HydrophobicContact CG1-CD2 4.42Å; L70-L102 HydrophobicContact CD1-CD2 4.39Å; L76-L102 HydrophobicContact CD1-CD2 3.67Å; A86-L102 HydrophobicContact CB-CD1 4.04Å; A86-L102 HydrophobicContact CB-CD2 4.09Å; L87-L102 HydrophobicContact CD1-CB 4.33Å; A90-L102 HydrophobicContact CB-CD1 3.7Å; A98-L102 WeakPolarHBondContact O-CB 3.38Å; A98-L102 WeakPolarHBondContact O-CD1 3.42Å; A98-L102 WeakPolarHBondContact O-CG 3.27Å; A98-L102 PolarHBondContact O-N 3.45Å; V99-L102 PolarHBondContact O-N 3.07Å; L102-Y105 CarbonylContact O-C 3.56Å; L102-Y105 PolarHBondContact O-N 3.16Å; L102-G106 PolarHBondContact O-N 3.24Å; L102-A107 HydrophobicContact CB-CB 4.02Å; L102-A107 WeakPolarHBondContact O-CB 3.21Å; L102-A107 PolarHBondContact O-N 2.89Å
103	L	97	Very high	95	Very high	32 Å²	32	43.8 Å²	43.8	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-40.1	174.4	-69.6	173.5	0	0	0	112.2	L87 V99 E100 L101 Y105 G106 I109 L135	L87-L103 HydrophobicContact CD1-CD2 4.41Å; L87-L103 HydrophobicContact CD1-CG 4.34Å; L87-L103 HydrophobicContact CD2-CD2 3.96Å; V99-L103 HydrophobicContact CG1-CD1 3.82Å; V99-L103 HydrophobicContact CG1-CG 4.4Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 3.21Å; E100-L103 PolarHBondContact O-N 2.92Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 2.86Å; L103-Y105 PolarHBondContact O-N 2.86Å; L103-G106 PolarHBondContact O-N 3.17Å; L103-I109 HydrophobicContact CD1-CD1 4.49Å; L103-I109 HydrophobicContact CD2-CB 3.94Å; L103-I109 HydrophobicContact CD2-CD1 3.97Å; L103-I109 HydrophobicContact CD2-CG1 3.94Å; L103-L135 HydrophobicContact CD1-CD2 4.28Å
104	K	96.4	Very high	94.3	Very high	144 Å²	144	45.8 Å²	45.8	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-56.9	-36.7	174	173.4	-169.2	167.7	-162	0	111.9	E67 E100 L101 G106	E67-K104 IonicContact OE1-NZ 3.01Å; E67-K104 PolarHBondContact OE1-NZ 3.25Å; E100-K104 WeakPolarHBondContact O-CB 3.19Å; E100-K104 PolarHBondContact O-N 3.01Å; L101-K104 WeakPolarHBondContact O-CB 3.3Å; L101-K104 PolarHBondContact O-N 2.9Å; K104-G106 VanDerWaalsContact C-N 3.31Å
105	Y	96.2	Very high	93.3	Very high	71 Å²	71	42.5 Å²	42.5	28%	0.278	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	12.6	176.9	-77.4	-84.5	0	0	0	114.2	E67 L70 E71 L101 L102 L103	E67-Y105 HydrophobicContact CG-CE2 4.09Å; L70-Y105 HydrophobicContact CB-CD1 3.82Å; L70-Y105 HydrophobicContact CB-CD2 4.35Å; L70-Y105 HydrophobicContact CB-CE1 3.98Å; L70-Y105 HydrophobicContact CB-CG 4.03Å; L70-Y105 HydrophobicContact CD1-CD2 3.82Å; L70-Y105 HydrophobicContact CD1-CE2 4.46Å; L70-Y105 HydrophobicContact CD1-CG 3.86Å; L70-Y105 HydrophobicContact CG-CG 4.44Å; E71-Y105 HydrophobicContact CG-CE1 4.45Å; E71-Y105 WeakPolarHBondContact CG-OH 3.47Å; L101-Y105 HydrophobicContact CD1-CD2 3.84Å; L101-Y105 HydrophobicContact CD1-CE2 3.58Å; L101-Y105 HydrophobicContact CG-CD2 4.34Å; L101-Y105 HydrophobicContact CG-CE2 4.49Å; L101-Y105 WeakPolarHBondContact O-CD2 3.46Å; L101-Y105 PolarHBondContact O-N 2.99Å; L101-Y105 VanDerWaalsContact O-N 3.14Å; L102-Y105 CarbonylContact O-C 3.56Å; L102-Y105 PolarHBondContact O-N 3.16Å; L103-Y105 PolarHBondContact O-N 2.86Å
106	G	94.7	Very high	92.9	Very high	59 Å²	59	46.6 Å²	46.6	61%	0.608	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	22.9	170.6	0	0	0	0	0	115.4	L102 L103 K104 N108	L102-G106 PolarHBondContact O-N 3.24Å; L103-G106 PolarHBondContact O-N 3.17Å; K104-G106 VanDerWaalsContact C-N 3.31Å; G106-N108 PolarHBondContact O-N 3.16Å
107	A	95.4	Very high	92.6	Very high	13 Å²	13	45.6 Å²	45.6	11%	0.107	23%	0.234	C	C	.	.			trans	-52.5	132.7	172.3	0	0	0	0	0	110.5	L76 L87 L102 I109	L76-A107 VanDerWaalsContact CD2-CA 3.46Å; L76-A107 HydrophobicContact CD2-CB 3.76Å; L76-A107 VanDerWaalsContact CD2-N 3.28Å; L87-A107 HydrophobicContact CB-CB 4.2Å; L87-A107 HydrophobicContact CD2-CB 3.94Å; L87-A107 HydrophobicContact CG-CB 4.49Å; L102-A107 HydrophobicContact CB-CB 4.02Å; L102-A107 WeakPolarHBondContact O-CB 3.21Å; L102-A107 PolarHBondContact O-N 2.89Å; A107-I109 PolarHBondContact O-N 3.44Å
108	N	94.8	Very high	92.5	Very high	89 Å²	89	41.1 Å²	41.1	48%	0.476	21%	0.214	S	C	.	.			trans	-65.3	103.5	175	178.2	5.5	0	0	0	110.4	G106 D110 A111	G106-N108 PolarHBondContact O-N 3.16Å; N108-D110 PolarHBondContact O-N 3Å; N108-D110 PolarHBondContact OD1-N 3.44Å; N108-D110 VanDerWaalsContact OD1-N 3.13Å; N108-A111 HydrophobicContact CB-CB 4.06Å; N108-A111 VanDerWaalsContact O-CB 3.29Å; N108-A111 WeakPolarHBondContact O-CB 3.44Å; N108-A111 PolarHBondContact O-N 2.85Å; N108-A111 PolarHBondContact OD1-N 3.12Å
109	I	96.5	Very high	92.5	Very high	22 Å²	22	41.1 Å²	41.1	11%	0.113	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	-176.6	-164.6	164.8	0	0	0	113.9	L103 A107 P119 L135 A140	L103-I109 HydrophobicContact CD1-CD1 4.49Å; L103-I109 HydrophobicContact CD2-CB 3.94Å; L103-I109 HydrophobicContact CD2-CD1 3.97Å; L103-I109 HydrophobicContact CD2-CG1 3.94Å; A107-I109 PolarHBondContact O-N 3.44Å; I109-P119 WeakPolarHBondContact O-CD 3.21Å; I109-P119 WeakPolarHBondContact O-CG 3.34Å; I109-L135 HydrophobicContact CD1-CD2 4.17Å; I109-L135 HydrophobicContact CG1-CD2 3.92Å; I109-A140 HydrophobicContact CD1-CB 3.78Å; I109-A140 HydrophobicContact CG1-CB 3.86Å
110	D	95.6	Very high	92.5	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.134	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	16.1	179.5	-62.9	-42.3	0	0	0	112	N108 K141	N108-D110 PolarHBondContact O-N 3Å; N108-D110 PolarHBondContact OD1-N 3.44Å; N108-D110 VanDerWaalsContact OD1-N 3.13Å; D110-K141 PolarHBondContact OD1-N 3.46Å; D110-K141 WeakPolarHBondContact OD2-CD 3.44Å; D110-K141 WeakPolarHBondContact OD2-CE 3.5Å; D110-K141 WeakPolarHBondContact OD2-CG 3.48Å; D110-K141 IonicContact OD2-NZ 2.86Å; D110-K141 PolarHBondContact OD2-NZ 3.03Å
111	A	92.2	Very high	92.5	Very high	15 Å²	15	35.4 Å²	35.4	12%	0.124	19%	0.187	C	C	.	.			trans	-56.2	144.9	173.2	0	0	0	0	0	110.1	P85 H88 N108 T118 P119	P85-A111 HydrophobicContact CG-CB 4Å; H88-A111 PolarHBondContact CE1-O 3.05Å; H88-A111 PolarHBondContact NE2-O 3.23Å; N108-A111 HydrophobicContact CB-CB 4.06Å; N108-A111 VanDerWaalsContact O-CB 3.29Å; N108-A111 WeakPolarHBondContact O-CB 3.44Å; N108-A111 PolarHBondContact O-N 2.85Å; N108-A111 PolarHBondContact OD1-N 3.12Å; A111-T118 VanDerWaalsContact O-CA 3.32Å; A111-T118 WeakPolarHBondContact O-CA 2.97Å; A111-P119 VanDerWaalsContact O-CD 3.32Å; A111-P119 WeakPolarHBondContact O-CD 3.26Å
112	I	89.3	Confident	92.4	Very high	87 Å²	87	34.7 Å²	34.7	45%	0.446	18%	0.183	S	C	.	.			trans	-106.4	145.1	180	60.1	169.9	0	0	0	110.5	F117 T118	I112-F117 WeakPolarHBondContact CA-O 3.41Å; I112-T118 HydrophobicContact CG2-CG2 3.99Å
113	D	84.2	Confident	92.4	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	18%	0.183	C	C	.	.			trans	-92.1	-168.6	169.1	78.2	-12	0	0	0	111.8	Y24 M84 H88 A115 H116 F117	Y24-D113 PolarHBondContact OH-OD2 3.1Å; M84-D113 HydrophobicContact CG-CB 4.41Å; H88-D113 PolarHBondContact NE2-N 3.2Å; D113-A115 PolarHBondContact O-N 3.2Å; D113-A115 WeakPolarHBondContact OD1-CA 3.48Å; D113-A115 WeakPolarHBondContact OD1-CB 3.48Å; D113-A115 PolarHBondContact OD1-N 2.94Å; D113-H116 WeakPolarHBondContact O-CA 3.39Å; D113-H116 PolarHBondContact O-N 3.47Å; D113-H116 PolarHBondContact OD1-N 2.89Å; D113-H116 VanDerWaalsContact OD1-N 3.14Å; D113-F117 PolarHBondContact N-O 2.98Å; D113-F117 WeakPolarHBondContact OD1-CA 3.27Å; D113-F117 WeakPolarHBondContact OD1-CB 3.39Å; D113-F117 PolarHBondContact OD1-N 3.39Å
114	W	76.6	Confident	92.4	Very high	64 Å²	64	33.1 Å²	33.1	24%	0.242	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.3	177.6	51.8	-96.2	0	0	0	114.6	V20 Y24 H116 I753 L757	V20-W114 HydrophobicContact CB-CH2 4.48Å; V20-W114 HydrophobicContact CG2-CH2 4.33Å; V20-W114 HydrophobicContact CG2-CZ3 4.1Å; Y24-W114 HydrophobicContact CD1-CZ2 4.32Å; Y24-W114 HydrophobicContact CE1-CZ2 4.2Å; W114-H116 VanDerWaalsContact C-N 3.32Å; W114-I753 HydrophobicContact CB-CG2 4.24Å; W114-I753 HydrophobicContact CD2-CG2 4.11Å; W114-I753 HydrophobicContact CG-CG2 3.78Å; W114-L757 HydrophobicContact CE3-CD1 3.57Å; W114-L757 HydrophobicContact CE3-CD2 4.27Å; W114-L757 HydrophobicContact CE3-CG 4.32Å; W114-L757 HydrophobicContact CH2-CD2 3.82Å; W114-L757 HydrophobicContact CZ3-CD1 3.6Å; W114-L757 HydrophobicContact CZ3-CD2 3.43Å; W114-L757 VanDerWaalsContact CZ3-CD2 3.43Å; W114-L757 HydrophobicContact CZ3-CG 3.96Å
115	A	75.4	Confident	92.4	Very high	3 Å²	3	27 Å²	27	3%	0.025	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.7	172.8	0	0	0	0	0	112.5	V20 D113 F117 S147	V20-A115 HydrophobicContact CG2-CB 3.88Å; D113-A115 PolarHBondContact O-N 3.2Å; D113-A115 WeakPolarHBondContact OD1-CA 3.48Å; D113-A115 WeakPolarHBondContact OD1-CB 3.48Å; D113-A115 PolarHBondContact OD1-N 2.94Å; A115-F117 HydrophobicContact CB-CD1 3.8Å; A115-F117 HydrophobicContact CB-CE1 4.26Å; A115-F117 HydrophobicContact CB-CG 4.14Å; A115-F117 WeakPolarHBondContact O-CD1 3.26Å; A115-F117 PolarHBondContact O-N 3.06Å; A115-S147 WeakPolarHBondContact O-CB 3.49Å; A115-S147 PolarHBondContact O-N 3.49Å; A115-S147 PolarHBondContact O-OG 3.2Å
116	H	86	Confident	92.3	Very high	94 Å²	94	26.5 Å²	26.5	44%	0.435	15%	0.147	S	C	.	.	S	Bend	trans	62.7	22.5	-167	-62.9	-159.9	0	0	0	113.2	D113 W114 A146	D113-H116 WeakPolarHBondContact O-CA 3.39Å; D113-H116 PolarHBondContact O-N 3.47Å; D113-H116 PolarHBondContact OD1-N 2.89Å; D113-H116 VanDerWaalsContact OD1-N 3.14Å; W114-H116 VanDerWaalsContact C-N 3.32Å; H116-A146 WeakPolarHBondContact O-CA 3.28Å
117	F	91.4	Very high	92.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.			trans	-81.1	132.5	177.2	-80.7	26.3	0	0	0	109.3	V20 Y24 H88 I112 D113 A115 H121 I122 F125 A146 L155	V20-F117 HydrophobicContact CG1-CD2 4.32Å; V20-F117 HydrophobicContact CG1-CE2 3.84Å; V20-F117 HydrophobicContact CG1-CZ 4.26Å; Y24-F117 HydrophobicContact CE2-CD2 4.29Å; Y24-F117 WeakPolarHBondContact OH-CD2 3.14Å; H88-F117 PolarHBondContact NE2-O 3.13Å; I112-F117 WeakPolarHBondContact CA-O 3.41Å; D113-F117 PolarHBondContact N-O 2.98Å; D113-F117 WeakPolarHBondContact OD1-CA 3.27Å; D113-F117 WeakPolarHBondContact OD1-CB 3.39Å; D113-F117 PolarHBondContact OD1-N 3.39Å; A115-F117 HydrophobicContact CB-CD1 3.8Å; A115-F117 HydrophobicContact CB-CE1 4.26Å; A115-F117 HydrophobicContact CB-CG 4.14Å; A115-F117 WeakPolarHBondContact O-CD1 3.26Å; A115-F117 PolarHBondContact O-N 3.06Å; F117-H121 HydrophobicContact CB-CB 3.79Å; F117-H121 HydrophobicContact CD1-CB 4.4Å; F117-H121 HydrophobicContact CD2-CB 3.78Å; F117-H121 HydrophobicContact CE2-CB 4.43Å; F117-H121 HydrophobicContact CG-CB 3.74Å; F117-I122 HydrophobicContact CB-CG1 4.33Å; F117-I122 HydrophobicContact CD2-CG1 4.41Å; F117-F125 HydrophobicContact CE2-CD2 4.42Å; F117-A146 HydrophobicContact CD1-CB 3.48Å; F117-A146 VanDerWaalsContact CD1-CB 3.48Å; F117-A146 HydrophobicContact CE1-CB 3.6Å; F117-L155 HydrophobicContact CD2-CD1 4.24Å; F117-L155 HydrophobicContact CE1-CD1 4.4Å; F117-L155 HydrophobicContact CE2-CD1 3.57Å; F117-L155 HydrophobicContact CZ-CD1 3.65Å; F117-L155 HydrophobicContact CZ-CD2 4.16Å
118	T	95.4	Very high	92.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.			trans	-83.6	165.1	165.1	66.7	0	0	0	0	110.8	A111 I112 I120 H121 I122 Q144	A111-T118 VanDerWaalsContact O-CA 3.32Å; A111-T118 WeakPolarHBondContact O-CA 2.97Å; I112-T118 HydrophobicContact CG2-CG2 3.99Å; T118-I120 PolarHBondContact O-N 3.42Å; T118-I120 VanDerWaalsContact O-N 3.11Å; T118-I120 WeakPolarHBondContact OG1-CG2 3.34Å; T118-H121 PolarHBondContact N-ND1 3.5Å; T118-H121 VanDerWaalsContact N-ND1 3.2Å; T118-H121 WeakPolarHBondContact O-CA 3.37Å; T118-H121 VanDerWaalsContact O-CB 3.32Å; T118-H121 WeakPolarHBondContact O-CB 3.46Å; T118-H121 PolarHBondContact O-N 3.31Å; T118-H121 PolarHBondContact OG1-ND1 3.31Å; T118-I122 PolarHBondContact O-N 3.45Å; T118-Q144 HydrophobicContact CG2-CB 4.43Å; T118-Q144 HydrophobicContact CG2-CG 3.76Å
119	P	96.8	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-47.6	-39.9	173.3	-32.1	36.7	0	0	0	113.5	L87 V91 I109 A111 H121 I122 A123 L135	L87-P119 HydrophobicContact CB-CG 4.47Å; L87-P119 HydrophobicContact CD2-CB 4.24Å; L87-P119 HydrophobicContact CD2-CG 3.6Å; L87-P119 HydrophobicContact CG-CB 4.15Å; L87-P119 HydrophobicContact CG-CG 3.72Å; V91-P119 HydrophobicContact CG2-CB 3.91Å; I109-P119 WeakPolarHBondContact O-CD 3.21Å; I109-P119 WeakPolarHBondContact O-CG 3.34Å; A111-P119 VanDerWaalsContact O-CD 3.32Å; A111-P119 WeakPolarHBondContact O-CD 3.26Å; P119-H121 PolarHBondContact O-N 3.27Å; P119-I122 PolarHBondContact O-N 2.76Å; P119-A123 PolarHBondContact O-N 2.85Å; P119-L135 HydrophobicContact CB-CD1 3.91Å; P119-L135 HydrophobicContact CB-CD2 4.04Å
120	I	97.8	Very high	92.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-26.9	178.6	-167.6	163.8	0	0	0	113.1	T118 S124 L135 A140 P152 L168	T118-I120 PolarHBondContact O-N 3.42Å; T118-I120 VanDerWaalsContact O-N 3.11Å; T118-I120 WeakPolarHBondContact OG1-CG2 3.34Å; I120-S124 VanDerWaalsContact O-CB 3.24Å; I120-S124 WeakPolarHBondContact O-CB 3.08Å; I120-S124 PolarHBondContact O-N 2.99Å; I120-S124 PolarHBondContact O-OG 3.3Å; I120-L135 HydrophobicContact CB-CB 4.46Å; I120-L135 HydrophobicContact CB-CD1 4.19Å; I120-A140 HydrophobicContact CB-CB 4.25Å; I120-A140 HydrophobicContact CD1-CB 4.01Å; I120-A140 HydrophobicContact CG2-CB 4.26Å; I120-P152 HydrophobicContact CG1-CB 4.23Å; I120-P152 HydrophobicContact CG1-CG 4.35Å; I120-P152 HydrophobicContact CG2-CB 4.49Å; I120-P152 HydrophobicContact CG2-CG 3.74Å; I120-L168 HydrophobicContact CD1-CD2 3.64Å; I120-L168 HydrophobicContact CG1-CD2 4.02Å
121	H	96.3	Very high	92.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-45.5	169.9	-71.1	88.5	0	0	0	110.8	F117 T118 P119 S124 F125 Q144 D150 P152 L155	F117-H121 HydrophobicContact CB-CB 3.79Å; F117-H121 HydrophobicContact CD1-CB 4.4Å; F117-H121 HydrophobicContact CD2-CB 3.78Å; F117-H121 HydrophobicContact CE2-CB 4.43Å; F117-H121 HydrophobicContact CG-CB 3.74Å; T118-H121 PolarHBondContact N-ND1 3.5Å; T118-H121 VanDerWaalsContact N-ND1 3.2Å; T118-H121 WeakPolarHBondContact O-CA 3.37Å; T118-H121 VanDerWaalsContact O-CB 3.32Å; T118-H121 WeakPolarHBondContact O-CB 3.46Å; T118-H121 PolarHBondContact O-N 3.31Å; T118-H121 PolarHBondContact OG1-ND1 3.31Å; P119-H121 PolarHBondContact O-N 3.27Å; H121-S124 PolarHBondContact O-N 3.14Å; H121-F125 WeakPolarHBondContact O-CB 3.26Å; H121-F125 PolarHBondContact O-N 3.32Å; H121-Q144 PolarHBondContact CE1-O 3.11Å; H121-Q144 PolarHBondContact NE2-O 3.34Å; H121-D150 PolarHBondContact NE2-O 3.08Å; H121-P152 WeakPolarHBondContact NE2-CD 3.33Å; H121-L155 HydrophobicContact CB-CD1 3.82Å
122	I	95	Very high	93.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-49.5	177.6	-60.1	-174.7	0	0	0	110.6	Y24 H88 V91 L92 F117 T118 P119 S124 F125 F126	Y24-I122 HydrophobicContact CE1-CD1 3.83Å; Y24-I122 HydrophobicContact CE1-CG1 4.42Å; Y24-I122 HydrophobicContact CE2-CG1 4.31Å; Y24-I122 VanDerWaalsContact OH-CD1 3.31Å; Y24-I122 WeakPolarHBondContact OH-CD1 3.18Å; Y24-I122 VanDerWaalsContact OH-CG1 3.24Å; Y24-I122 WeakPolarHBondContact OH-CG1 3.42Å; H88-I122 HydrophobicContact CB-CD1 3.97Å; V91-I122 HydrophobicContact CB-CG2 4.48Å; V91-I122 HydrophobicContact CG1-CB 3.8Å; V91-I122 HydrophobicContact CG1-CG2 3.68Å; L92-I122 HydrophobicContact CB-CG2 4.49Å; L92-I122 HydrophobicContact CD1-CG2 4.45Å; F117-I122 HydrophobicContact CB-CG1 4.33Å; F117-I122 HydrophobicContact CD2-CG1 4.41Å; T118-I122 PolarHBondContact O-N 3.45Å; P119-I122 PolarHBondContact O-N 2.76Å; I122-S124 PolarHBondContact O-N 2.87Å; I122-F125 PolarHBondContact O-N 3.05Å; I122-F126 HydrophobicContact CG2-CD2 3.72Å; I122-F126 HydrophobicContact CG2-CE2 3.91Å; I122-F126 WeakPolarHBondContact O-CD2 3.32Å; I122-F126 PolarHBondContact O-N 3.34Å; I122-F126 VanDerWaalsContact O-N 3.09Å
123	A	97.4	Very high	93.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.6	-37.2	178.3	0	0	0	0	0	112	V91 P119 G127 Y128 V131 A132 L135	V91-A123 HydrophobicContact CG1-CB 3.94Å; P119-A123 PolarHBondContact O-N 2.85Å; A123-G127 PolarHBondContact O-N 2.86Å; A123-Y128 PolarHBondContact O-N 3.44Å; A123-V131 HydrophobicContact CB-CB 4.34Å; A123-V131 HydrophobicContact CB-CG1 4.03Å; A123-A132 HydrophobicContact CB-CB 4.09Å; A123-L135 HydrophobicContact CB-CD1 4.19Å
124	S	97.5	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-74.1	-35.1	178.2	-57.8	0	0	0	0	113.6	I120 H121 I122 P152 A156 H161	I120-S124 VanDerWaalsContact O-CB 3.24Å; I120-S124 WeakPolarHBondContact O-CB 3.08Å; I120-S124 PolarHBondContact O-N 2.99Å; I120-S124 PolarHBondContact O-OG 3.3Å; H121-S124 PolarHBondContact O-N 3.14Å; I122-S124 PolarHBondContact O-N 2.87Å; S124-P152 VanDerWaalsContact CB-O 3.25Å; S124-P152 WeakPolarHBondContact CB-O 3.22Å; S124-P152 WeakPolarHBondContact OG-CB 3.48Å; S124-A156 WeakPolarHBondContact O-CA 3.31Å; S124-H161 PolarHBondContact O-CD2 3.4Å
125	F	95.1	Very high	95.2	Very high	14 Å²	14	27.6 Å²	27.6	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-41.8	176.9	-173	-93.4	0	0	0	112.4	Y17 A21 F117 H121 I122 L155 N159 H161	Y17-F125 HydrophobicContact CD1-CE2 4.24Å; Y17-F125 HydrophobicContact CG-CE2 4.14Å; A21-F125 HydrophobicContact CB-CE1 3.98Å; A21-F125 HydrophobicContact CB-CZ 4Å; F117-F125 HydrophobicContact CE2-CD2 4.42Å; H121-F125 WeakPolarHBondContact O-CB 3.26Å; H121-F125 PolarHBondContact O-N 3.32Å; I122-F125 PolarHBondContact O-N 3.05Å; F125-L155 HydrophobicContact CB-CB 4.46Å; F125-L155 HydrophobicContact CB-CD1 4.28Å; F125-L155 HydrophobicContact CD2-CB 4.49Å; F125-L155 HydrophobicContact CD2-CD1 4.48Å; F125-L155 HydrophobicContact CD2-CD2 4.13Å; F125-N159 PolarHBondContact O-ND2 3.45Å; F125-H161 PolarHBondContact O-NE2 3.25Å
126	F	94.7	Very high	96.3	Very high	61 Å²	61	27.9 Å²	27.9	27%	0.268	13%	0.125	S	C	.	.	H	α-helix	trans	-94.2	-5.1	-178.2	-69.2	-71.5	0	0	0	114.5	Y24 L92 I122 Y128	Y24-F126 AromaticContact CD2-CE2 3.6Å; Y24-F126 HydrophobicContact CD2-CE2 3.6Å; Y24-F126 AromaticContact CD2-CZ 3.69Å; Y24-F126 HydrophobicContact CD2-CZ 3.69Å; Y24-F126 HydrophobicContact CE2-CE2 4.14Å; Y24-F126 HydrophobicContact CG-CE2 4.14Å; Y24-F126 HydrophobicContact CG-CZ 4.12Å; L92-F126 HydrophobicContact CD1-CD2 4.28Å; L92-F126 HydrophobicContact CD1-CE2 3.52Å; L92-F126 HydrophobicContact CD1-CZ 3.88Å; I122-F126 HydrophobicContact CG2-CD2 3.72Å; I122-F126 HydrophobicContact CG2-CE2 3.91Å; I122-F126 WeakPolarHBondContact O-CD2 3.32Å; I122-F126 PolarHBondContact O-N 3.34Å; I122-F126 VanDerWaalsContact O-N 3.09Å; F126-Y128 HydrophobicContact CB-CD1 4.08Å; F126-Y128 HydrophobicContact CB-CD2 4Å; F126-Y128 HydrophobicContact CB-CE1 3.72Å; F126-Y128 HydrophobicContact CB-CE2 3.63Å; F126-Y128 HydrophobicContact CB-CG 4.21Å; F126-Y128 VanDerWaalsContact CB-CZ 3.47Å; F126-Y128 HydrophobicContact CD2-CE2 4.25Å; F126-Y128 HydrophobicContact CG-CE2 4.12Å
127	G	97.1	Very high	96.8	Very high	22 Å²	22	30.3 Å²	30.3	23%	0.227	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	28.4	177.5	0	0	0	0	0	114.3	A123 E129 H161	A123-G127 PolarHBondContact O-N 2.86Å; G127-E129 VanDerWaalsContact C-N 3.3Å; G127-E129 PolarHBondContact O-N 3.28Å; G127-H161 WeakPolarHBondContact CA-CD2 3.45Å; G127-H161 PolarHBondContact N-CD2 3.18Å; G127-H161 PolarHBondContact N-NE2 3.28Å
128	Y	97.7	Very high	97	Very high	34 Å²	34	33 Å²	33	13%	0.133	15%	0.154	C	C	.	.			trans	-78.6	76.4	-179.1	-61.6	-23.9	0	0	0	111.4	V91 N94 A123 F126 R130 V131 A132	V91-Y128 VanDerWaalsContact O-CD2 3.22Å; V91-Y128 WeakPolarHBondContact O-CD2 3.39Å; V91-Y128 WeakPolarHBondContact O-CE2 2.87Å; N94-Y128 HydrophobicContact CB-CD1 4Å; N94-Y128 HydrophobicContact CB-CD2 3.85Å; N94-Y128 HydrophobicContact CB-CE1 3.94Å; N94-Y128 HydrophobicContact CB-CE2 3.78Å; N94-Y128 HydrophobicContact CB-CG 3.97Å; N94-Y128 WeakPolarHBondContact OD1-CB 3.5Å; A123-Y128 PolarHBondContact O-N 3.44Å; F126-Y128 HydrophobicContact CB-CD1 4.08Å; F126-Y128 HydrophobicContact CB-CD2 4Å; F126-Y128 HydrophobicContact CB-CE1 3.72Å; F126-Y128 HydrophobicContact CB-CE2 3.63Å; F126-Y128 HydrophobicContact CB-CG 4.21Å; F126-Y128 VanDerWaalsContact CB-CZ 3.47Å; F126-Y128 HydrophobicContact CD2-CE2 4.25Å; F126-Y128 HydrophobicContact CG-CE2 4.12Å; Y128-R130 PolarHBondContact O-N 3.3Å; Y128-V131 PolarHBondContact O-N 2.83Å; Y128-V131 VanDerWaalsContact O-N 3.07Å; Y128-A132 PolarHBondContact O-N 3.16Å
129	E	97.5	Very high	97	Very high	73 Å²	73	35.5 Å²	35.5	34%	0.341	18%	0.179	S	C	.	.	H	α-helix	trans	-50.8	-48.2	-173.7	-172.8	-169.2	146.1	0	0	113.9	G127 V131 A132 R133 S163 V164	G127-E129 VanDerWaalsContact C-N 3.3Å; G127-E129 PolarHBondContact O-N 3.28Å; E129-V131 VanDerWaalsContact C-N 3.32Å; E129-V131 PolarHBondContact O-N 2.87Å; E129-A132 PolarHBondContact O-N 3.42Å; E129-R133 VanDerWaalsContact O-CB 3.26Å; E129-R133 WeakPolarHBondContact O-CB 3.34Å; E129-R133 PolarHBondContact O-N 2.49Å; E129-R133 IonicContact OE1-NH2 3.7Å; E129-R133 PolarHBondContact OE1-NH2 3.26Å; E129-S163 WeakPolarHBondContact OE2-CB 3.35Å; E129-S163 PolarHBondContact OE2-OG 3.45Å; E129-V164 HydrophobicContact CB-CG2 4.39Å
130	R	98.1	Very high	97.1	Very high	166 Å²	166	35.8 Å²	35.8	63%	0.626	18%	0.181	S	C	*	.	H	α-helix	trans	-63.9	-38.6	-178.6	-68.6	178.9	66.3	-175.3	-0.3	112.1	V96 Y128 L134	V96-R130 HydrophobicContact CG2-CB 3.94Å; Y128-R130 PolarHBondContact O-N 3.3Å; R130-L134 WeakPolarHBondContact O-CB 3.49Å; R130-L134 PolarHBondContact O-N 3.33Å
131	V	98.3	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.4	-43.8	177.9	177.9	0	0	0	0	110.5	V91 N94 V96 V99 A123 Y128 E129 R133 L134 L135	V91-V131 HydrophobicContact CB-CG1 4.26Å; V91-V131 HydrophobicContact CG1-CG1 3.91Å; V91-V131 HydrophobicContact CG2-CG1 3.72Å; N94-V131 WeakPolarHBondContact OD1-CG2 3.24Å; V96-V131 HydrophobicContact CG2-CG2 3.8Å; V99-V131 HydrophobicContact CG2-CG1 4.17Å; A123-V131 HydrophobicContact CB-CB 4.34Å; A123-V131 HydrophobicContact CB-CG1 4.03Å; Y128-V131 PolarHBondContact O-N 2.83Å; Y128-V131 VanDerWaalsContact O-N 3.07Å; E129-V131 VanDerWaalsContact C-N 3.32Å; E129-V131 PolarHBondContact O-N 2.87Å; V131-R133 VanDerWaalsContact C-N 3.35Å; V131-R133 PolarHBondContact O-N 2.94Å; V131-L134 PolarHBondContact O-N 2.95Å; V131-L135 HydrophobicContact CG1-CD1 3.81Å; V131-L135 HydrophobicContact CG1-CG 4.28Å; V131-L135 WeakPolarHBondContact O-CB 3.12Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.25Å; V131-L135 PolarHBondContact O-N 3.07Å
132	A	98.1	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-46.5	175.1	0	0	0	0	0	111.4	A123 Y128 E129 L134 L135 S136 V164	A123-A132 HydrophobicContact CB-CB 4.09Å; Y128-A132 PolarHBondContact O-N 3.16Å; E129-A132 PolarHBondContact O-N 3.42Å; A132-L134 PolarHBondContact O-N 3.43Å; A132-L135 PolarHBondContact O-N 3.07Å; A132-S136 WeakPolarHBondContact O-CB 3.12Å; A132-S136 PolarHBondContact O-N 3.23Å; A132-S136 PolarHBondContact O-OG 3.28Å; A132-S136 VanDerWaalsContact O-OG 3.05Å; A132-V164 HydrophobicContact CB-CG1 3.87Å; A132-V164 HydrophobicContact CB-CG2 4.33Å
133	R	98	Very high	96.9	Very high	79 Å²	79	44 Å²	44	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-45.4	173.9	176.2	179.3	-48.8	-73.8	0.6	112.5	E129 V131 K137 E167	E129-R133 VanDerWaalsContact O-CB 3.26Å; E129-R133 WeakPolarHBondContact O-CB 3.34Å; E129-R133 PolarHBondContact O-N 2.49Å; E129-R133 IonicContact OE1-NH2 3.7Å; E129-R133 PolarHBondContact OE1-NH2 3.26Å; V131-R133 VanDerWaalsContact C-N 3.35Å; V131-R133 PolarHBondContact O-N 2.94Å; R133-K137 HydrophobicContact CG-CD 4.3Å; R133-K137 WeakPolarHBondContact O-CB 3.47Å; R133-K137 WeakPolarHBondContact O-CG 2.98Å; R133-K137 PolarHBondContact O-N 2.81Å; R133-E167 HydrophobicContact CB-CG 4.1Å; R133-E167 WeakPolarHBondContact CB-OE1 3.26Å; R133-E167 VanDerWaalsContact CG-OE1 3.26Å; R133-E167 WeakPolarHBondContact CG-OE1 3.46Å; R133-E167 IonicContact CZ-OE1 3.04Å; R133-E167 IonicContact CZ-OE2 3.39Å; R133-E167 IonicContact NE-OE2 3.08Å; R133-E167 IonicContact NH1-OE1 3.2Å; R133-E167 PolarHBondContact NH1-OE1 3.04Å; R133-E167 IonicContact NH1-OE2 3.53Å; R133-E167 PolarHBondContact NH1-OE2 3.23Å; R133-E167 IonicContact NH2-OE2 3.75Å; R133-E167 PolarHBondContact NH2-OE2 2.85Å; R133-E167 VanDerWaalsContact NH2-OE2 3.11Å
134	L	98.2	Very high	96.6	Very high	33 Å²	33	47.3 Å²	47.3	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-46.9	178	176.4	59.8	0	0	0	111.5	V96 V99 E100 R130 V131 A132 K137 S138	V96-L134 HydrophobicContact CG1-CD2 3.94Å; V99-L134 HydrophobicContact CB-CD2 4.04Å; V99-L134 HydrophobicContact CG1-CD2 3.64Å; V99-L134 HydrophobicContact CG1-CG 4.28Å; E100-L134 HydrophobicContact CB-CD2 4.15Å; R130-L134 WeakPolarHBondContact O-CB 3.49Å; R130-L134 PolarHBondContact O-N 3.33Å; V131-L134 PolarHBondContact O-N 2.95Å; A132-L134 PolarHBondContact O-N 3.43Å; L134-K137 PolarHBondContact O-N 3.18Å; L134-S138 VanDerWaalsContact O-CB 3.31Å; L134-S138 WeakPolarHBondContact O-CB 3.49Å; L134-S138 PolarHBondContact O-N 3.26Å; L134-S138 PolarHBondContact O-OG 2.59Å
135	L	98.1	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-46.2	178.6	-69.8	168.7	0	0	0	111.5	V91 V99 L103 I109 P119 I120 A123 V131 A132 K137 S138 G139 A140	V91-L135 HydrophobicContact CG2-CD1 4.11Å; V99-L135 HydrophobicContact CG1-CD2 4.09Å; V99-L135 HydrophobicContact CG1-CG 4.47Å; L103-L135 HydrophobicContact CD1-CD2 4.28Å; I109-L135 HydrophobicContact CD1-CD2 4.17Å; I109-L135 HydrophobicContact CG1-CD2 3.92Å; P119-L135 HydrophobicContact CB-CD1 3.91Å; P119-L135 HydrophobicContact CB-CD2 4.04Å; I120-L135 HydrophobicContact CB-CB 4.46Å; I120-L135 HydrophobicContact CB-CD1 4.19Å; A123-L135 HydrophobicContact CB-CD1 4.19Å; V131-L135 HydrophobicContact CG1-CD1 3.81Å; V131-L135 HydrophobicContact CG1-CG 4.28Å; V131-L135 WeakPolarHBondContact O-CB 3.12Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.25Å; V131-L135 PolarHBondContact O-N 3.07Å; A132-L135 PolarHBondContact O-N 3.07Å; L135-K137 PolarHBondContact O-N 3.28Å; L135-S138 CarbonylContact O-C 3.59Å; L135-S138 PolarHBondContact O-N 3.18Å; L135-S138 VanDerWaalsContact O-N 3.14Å; L135-G139 PolarHBondContact O-N 3.4Å; L135-A140 HydrophobicContact CB-CB 4.01Å; L135-A140 WeakPolarHBondContact O-CB 2.93Å; L135-A140 PolarHBondContact O-N 2.96Å
136	S	97	Very high	95.9	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-45.9	176.7	-66	0	0	0	0	112.1	A132 S138 G139	A132-S136 WeakPolarHBondContact O-CB 3.12Å; A132-S136 PolarHBondContact O-N 3.23Å; A132-S136 PolarHBondContact O-OG 3.28Å; A132-S136 VanDerWaalsContact O-OG 3.05Å; S136-S138 VanDerWaalsContact C-N 3.26Å; S136-S138 PolarHBondContact O-N 3.05Å; S136-G139 PolarHBondContact O-N 3.05Å
137	K	96.8	Very high	95.2	Very high	145 Å²	145	51.9 Å²	51.9	63%	0.63	26%	0.259	S	S	*	.	H	α-helix	trans	-66.4	-27.7	176.5	-73.4	-178.4	179.2	-172.7	0	113.5	R133 L134 L135 G139	R133-K137 HydrophobicContact CG-CD 4.3Å; R133-K137 WeakPolarHBondContact O-CB 3.47Å; R133-K137 WeakPolarHBondContact O-CG 2.98Å; R133-K137 PolarHBondContact O-N 2.81Å; L134-K137 PolarHBondContact O-N 3.18Å; L135-K137 PolarHBondContact O-N 3.28Å; K137-G139 VanDerWaalsContact C-N 3.25Å; K137-G139 PolarHBondContact O-N 3.36Å
138	S	96.9	Very high	94.4	Very high	57 Å²	57	51.1 Å²	51.1	40%	0.399	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	4.2	178.3	-53.9	0	0	0	0	113.2	L134 L135 S136	L134-S138 VanDerWaalsContact O-CB 3.31Å; L134-S138 WeakPolarHBondContact O-CB 3.49Å; L134-S138 PolarHBondContact O-N 3.26Å; L134-S138 PolarHBondContact O-OG 2.59Å; L135-S138 CarbonylContact O-C 3.59Å; L135-S138 PolarHBondContact O-N 3.18Å; L135-S138 VanDerWaalsContact O-N 3.14Å; S136-S138 VanDerWaalsContact C-N 3.26Å; S136-S138 PolarHBondContact O-N 3.05Å
139	G	95.6	Very high	93.8	Very high	51 Å²	51	49.7 Å²	49.7	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	17.9	174	0	0	0	0	0	115.5	L135 S136 K137 K141	L135-G139 PolarHBondContact O-N 3.4Å; S136-G139 PolarHBondContact O-N 3.05Å; K137-G139 VanDerWaalsContact C-N 3.25Å; K137-G139 PolarHBondContact O-N 3.36Å; G139-K141 PolarHBondContact O-N 2.84Å
140	A	97	Very high	93.5	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	23%	0.229	C	C	.	.			trans	-57.4	136.5	172.5	0	0	0	0	0	110.4	I109 I120 L135 P142	I109-A140 HydrophobicContact CD1-CB 3.78Å; I109-A140 HydrophobicContact CG1-CB 3.86Å; I120-A140 HydrophobicContact CB-CB 4.25Å; I120-A140 HydrophobicContact CD1-CB 4.01Å; I120-A140 HydrophobicContact CG2-CB 4.26Å; L135-A140 HydrophobicContact CB-CB 4.01Å; L135-A140 WeakPolarHBondContact O-CB 2.93Å; L135-A140 PolarHBondContact O-N 2.96Å; A140-P142 WeakPolarHBondContact O-CD 3.4Å
141	K	95.7	Very high	93.4	Very high	113 Å²	113	38.3 Å²	38.3	49%	0.491	20%	0.2	S	C	.	.			trans	-73.6	112.1	-178.7	-68	-177.7	-171.9	103.5	0	110.5	D110 G139 N143 Q144	D110-K141 PolarHBondContact OD1-N 3.46Å; D110-K141 WeakPolarHBondContact OD2-CD 3.44Å; D110-K141 WeakPolarHBondContact OD2-CE 3.5Å; D110-K141 WeakPolarHBondContact OD2-CG 3.48Å; D110-K141 IonicContact OD2-NZ 2.86Å; D110-K141 PolarHBondContact OD2-NZ 3.03Å; G139-K141 PolarHBondContact O-N 2.84Å; K141-N143 PolarHBondContact O-N 3.11Å; K141-N143 VanDerWaalsContact O-N 3.11Å; K141-Q144 HydrophobicContact CB-CB 4.38Å; K141-Q144 PolarHBondContact O-N 3.18Å
142	P	93.9	Very high	93.3	Very high	23 Å²	23	38.3 Å²	38.3	15%	0.149	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.3	-173.4	32.3	-40.6	0	0	0	113.5	A140 P152 H171 A173	A140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-P152 WeakPolarHBondContact O-CD 3.4Å; P142-H171 WeakPolarHBondContact CG-O 3.29Å; P142-A173 HydrophobicContact CB-CB 4.19Å
143	N	95.8	Very high	93.3	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	11	-173.2	-69.1	-55.1	0	0	0	113.6	K141 G172 C174 R177	K141-N143 PolarHBondContact O-N 3.11Å; K141-N143 VanDerWaalsContact O-N 3.11Å; N143-G172 PolarHBondContact ND2-O 3.02Å; N143-C174 PolarHBondContact ND2-SG 3.46Å; N143-C174 WeakPolarHBondContact OD1-CB 3.41Å; N143-C174 PolarHBondContact OD1-N 3.46Å; N143-C174 PolarHBondContact OD1-SG 2.77Å; N143-R177 PolarHBondContact O-NH1 2.95Å
144	Q	92.6	Very high	93.2	Very high	70 Å²	70	34.7 Å²	34.7	33%	0.327	19%	0.186	S	C	.	.			trans	-59.8	143.2	175.8	-170.4	58.4	43	0	0	109.7	T118 H121 K141	T118-Q144 HydrophobicContact CG2-CB 4.43Å; T118-Q144 HydrophobicContact CG2-CG 3.76Å; H121-Q144 PolarHBondContact CE1-O 3.11Å; H121-Q144 PolarHBondContact NE2-O 3.34Å; K141-Q144 HydrophobicContact CB-CB 4.38Å; K141-Q144 PolarHBondContact O-N 3.18Å
145	R	90.9	Very high	93.1	Very high	123 Å²	123	33.1 Å²	33.1	46%	0.464	18%	0.178	S	C	.	.			trans	-101.9	131.9	179.8	-74.8	-177.5	164.3	143.6	-6.4	110.4	D150 K178	R145-D150 CarbonylContact C-O 3.58Å; R145-D150 VanDerWaalsContact CA-O 3.32Å; R145-D150 WeakPolarHBondContact CA-O 3.37Å; R145-K178 PolarHBondContact NH2-O 3.3Å
146	A	85.9	Confident	93	Very high	7 Å²	7	33.1 Å²	33.1	6%	0.058	18%	0.178	C	C	.	.			trans	-85	-169.2	167.5	0	0	0	0	0	111	H116 F117 V148 G149 D150	H116-A146 WeakPolarHBondContact O-CA 3.28Å; F117-A146 HydrophobicContact CD1-CB 3.48Å; F117-A146 VanDerWaalsContact CD1-CB 3.48Å; F117-A146 HydrophobicContact CE1-CB 3.6Å; A146-V148 PolarHBondContact O-N 3.18Å; A146-V148 VanDerWaalsContact O-N 3.12Å; A146-G149 PolarHBondContact O-N 3.23Å; A146-D150 WeakPolarHBondContact CB-OD1 3.34Å; A146-D150 PolarHBondContact N-O 3.43Å
147	S	79.8	Confident	93	Very high	42 Å²	42	32.7 Å²	32.7	29%	0.294	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.4	-166.4	50.9	0	0	0	0	115.4	A115	A115-S147 WeakPolarHBondContact O-CB 3.49Å; A115-S147 PolarHBondContact O-N 3.49Å; A115-S147 PolarHBondContact O-OG 3.2Å
148	V	80.8	Confident	93	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.036	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	19.5	174.9	-65.2	0	0	0	0	112.7	F12 L16 A146 D150 E180	F12-V148 HydrophobicContact CD1-CB 4.44Å; F12-V148 HydrophobicContact CD1-CG1 3.39Å; F12-V148 HydrophobicContact CE1-CG1 3.18Å; F12-V148 HydrophobicContact CG-CG1 4.5Å; F12-V148 HydrophobicContact CZ-CG1 4.11Å; L16-V148 HydrophobicContact CD2-CB 4.25Å; L16-V148 HydrophobicContact CD2-CG1 3.59Å; L16-V148 HydrophobicContact CD2-CG2 3.64Å; A146-V148 PolarHBondContact O-N 3.18Å; A146-V148 VanDerWaalsContact O-N 3.12Å; V148-D150 HydrophobicContact CG2-CB 4.06Å; V148-D150 WeakPolarHBondContact CG2-OD1 3.49Å; V148-D150 PolarHBondContact O-N 3.38Å; V148-E180 WeakPolarHBondContact O-CB 3.35Å; V148-E180 WeakPolarHBondContact O-CG 3.39Å; V148-E180 PolarHBondContact O-N 2.97Å
149	G	85.6	Confident	92.8	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	73.8	4.3	-178	0	0	0	0	0	114.5	A146 D179	A146-G149 PolarHBondContact O-N 3.23Å; G149-D179 WeakPolarHBondContact O-CA 3.5Å
150	D	89.6	Confident	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.			trans	-66.3	151.5	174.1	59.3	-41.7	0	0	0	111	H121 R145 A146 V148 H154 L155	H121-D150 PolarHBondContact NE2-O 3.08Å; R145-D150 CarbonylContact C-O 3.58Å; R145-D150 VanDerWaalsContact CA-O 3.32Å; R145-D150 WeakPolarHBondContact CA-O 3.37Å; A146-D150 WeakPolarHBondContact CB-OD1 3.34Å; A146-D150 PolarHBondContact N-O 3.43Å; V148-D150 HydrophobicContact CG2-CB 4.06Å; V148-D150 WeakPolarHBondContact CG2-OD1 3.49Å; V148-D150 PolarHBondContact O-N 3.38Å; D150-H154 HydrophobicContact CB-CB 4.17Å; D150-L155 VanDerWaalsContact OD2-CD2 3.29Å; D150-L155 WeakPolarHBondContact OD2-CD2 3.39Å
151	S	96	Very high	92.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	14%	0.141	C	C	.	.			trans	-118.6	166.6	-178.7	73.2	0	0	0	0	108.5	L153 H154 L155	S151-L153 PolarHBondContact O-N 2.97Å; S151-L153 VanDerWaalsContact O-N 3.1Å; S151-L153 PolarHBondContact OG-N 3.39Å; S151-H154 PolarHBondContact N-ND1 3.48Å; S151-H154 WeakPolarHBondContact O-CB 3.43Å; S151-H154 PolarHBondContact O-N 2.96Å; S151-H154 PolarHBondContact OG-N 3.45Å; S151-H154 PolarHBondContact OG-ND1 3.12Å; S151-L155 PolarHBondContact O-N 3.48Å
152	P	97.1	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-52.4	-36.1	174.5	-27.3	36.6	0	0	0	112.6	I120 H121 S124 P142 L155 A156 L168	I120-P152 HydrophobicContact CG1-CB 4.23Å; I120-P152 HydrophobicContact CG1-CG 4.35Å; I120-P152 HydrophobicContact CG2-CB 4.49Å; I120-P152 HydrophobicContact CG2-CG 3.74Å; H121-P152 WeakPolarHBondContact NE2-CD 3.33Å; S124-P152 VanDerWaalsContact CB-O 3.25Å; S124-P152 WeakPolarHBondContact CB-O 3.22Å; S124-P152 WeakPolarHBondContact OG-CB 3.48Å; P142-P152 WeakPolarHBondContact O-CD 3.4Å; P152-L155 PolarHBondContact O-N 3.48Å; P152-A156 PolarHBondContact O-N 2.95Å; P152-L168 VanDerWaalsContact C-CD1 3.49Å; P152-L168 HydrophobicContact CB-CD1 3.88Å; P152-L168 HydrophobicContact CB-CD2 3.85Å
153	L	98.1	Very high	93.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-66.3	-38.8	178.1	-174.6	64.7	0	0	0	112.3	S151 A157 V165 L168 L169 A173 A185 L201	S151-L153 PolarHBondContact O-N 2.97Å; S151-L153 VanDerWaalsContact O-N 3.1Å; S151-L153 PolarHBondContact OG-N 3.39Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.49Å; L153-V165 HydrophobicContact CD1-CB 4.37Å; L153-V165 HydrophobicContact CD1-CG1 3.94Å; L153-V165 HydrophobicContact CD1-CG2 4.41Å; L153-L168 HydrophobicContact CB-CD1 4.31Å; L153-L168 HydrophobicContact CD1-CB 4.33Å; L153-L168 HydrophobicContact CD1-CD1 4.42Å; L153-L169 HydrophobicContact CD1-CD2 4.29Å; L153-L169 HydrophobicContact CD1-CG 4.18Å; L153-L169 HydrophobicContact CD2-CD2 3.94Å; L153-A173 HydrophobicContact CB-CB 4.21Å; L153-A173 HydrophobicContact CD2-CB 4.15Å; L153-A185 HydrophobicContact CD2-CB 3.99Å; L153-A185 HydrophobicContact CG-CB 3.86Å; L153-L201 HydrophobicContact CD1-CD2 4.34Å; L153-L201 HydrophobicContact CD2-CD2 4.28Å
154	H	96.3	Very high	93.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-46.1	174.5	-66.2	137.5	0	0	0	111.5	D150 S151 A157 F158 R177 N183 A185 F188	D150-H154 HydrophobicContact CB-CB 4.17Å; S151-H154 PolarHBondContact N-ND1 3.48Å; S151-H154 WeakPolarHBondContact O-CB 3.43Å; S151-H154 PolarHBondContact O-N 2.96Å; S151-H154 PolarHBondContact OG-N 3.45Å; S151-H154 PolarHBondContact OG-ND1 3.12Å; H154-A157 PolarHBondContact O-N 2.91Å; H154-F158 WeakPolarHBondContact O-CB 3.34Å; H154-F158 PolarHBondContact O-N 3.09Å; H154-R177 PolarHBondContact CE1-O 3.1Å; H154-R177 PolarHBondContact NE2-O 2.91Å; H154-N183 PolarHBondContact NE2-O 2.88Å; H154-A185 PolarHBondContact CD2-N 3.26Å; H154-A185 PolarHBondContact NE2-N 2.97Å; H154-F188 HydrophobicContact CB-CD2 3.88Å; H154-F188 HydrophobicContact CB-CE2 3.77Å; H154-F188 HydrophobicContact CB-CZ 4.49Å; H154-F188 AromaticContact CD2-CD2 3.59Å; H154-F188 AromaticContact CD2-CE2 3.65Å; H154-F188 AromaticContact CG-CD2 3.97Å; H154-F188 AromaticContact CG-CE2 3.75Å
155	L	95.2	Very high	93.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-44.5	-178.8	-60.9	-177.6	0	0	0	112.4	Y17 F117 H121 F125 D150 S151 P152 F158 N159	Y17-L155 HydrophobicContact CD1-CD2 3.97Å; Y17-L155 HydrophobicContact CE1-CD2 3.26Å; Y17-L155 HydrophobicContact CE2-CD2 4.36Å; Y17-L155 VanDerWaalsContact CZ-CD2 3.49Å; F117-L155 HydrophobicContact CD2-CD1 4.24Å; F117-L155 HydrophobicContact CE1-CD1 4.4Å; F117-L155 HydrophobicContact CE2-CD1 3.57Å; F117-L155 HydrophobicContact CZ-CD1 3.65Å; F117-L155 HydrophobicContact CZ-CD2 4.16Å; H121-L155 HydrophobicContact CB-CD1 3.82Å; F125-L155 HydrophobicContact CB-CB 4.46Å; F125-L155 HydrophobicContact CB-CD1 4.28Å; F125-L155 HydrophobicContact CD2-CB 4.49Å; F125-L155 HydrophobicContact CD2-CD1 4.48Å; F125-L155 HydrophobicContact CD2-CD2 4.13Å; D150-L155 VanDerWaalsContact OD2-CD2 3.29Å; D150-L155 WeakPolarHBondContact OD2-CD2 3.39Å; S151-L155 PolarHBondContact O-N 3.48Å; P152-L155 PolarHBondContact O-N 3.48Å; L155-F158 PolarHBondContact O-N 2.9Å; L155-N159 PolarHBondContact O-N 3.4Å; L155-N159 VanDerWaalsContact O-N 3.15Å; L155-N159 PolarHBondContact O-ND2 3.45Å
156	A	97.3	Very high	93.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-39.9	176.3	0	0	0	0	0	111.8	S124 P152 G160 H161 V164 V165 L168	S124-A156 WeakPolarHBondContact O-CA 3.31Å; P152-A156 PolarHBondContact O-N 2.95Å; A156-G160 PolarHBondContact O-N 3.08Å; A156-G160 VanDerWaalsContact O-N 3.07Å; A156-H161 HydrophobicContact CB-CB 4.45Å; A156-H161 PolarHBondContact O-N 3.36Å; A156-V164 HydrophobicContact CB-CB 4.15Å; A156-V164 HydrophobicContact CB-CG1 4.02Å; A156-V165 HydrophobicContact CB-CG2 3.72Å; A156-L168 HydrophobicContact CB-CD1 4.13Å
157	A	97.3	Very high	94.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-39.8	177.1	0	0	0	0	0	112.5	L153 H154 A185 F188 C189 H194	L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.49Å; H154-A157 PolarHBondContact O-N 2.91Å; A157-A185 HydrophobicContact CB-CB 3.98Å; A157-F188 HydrophobicContact CB-CB 4.35Å; A157-C189 PolarHBondContact O-SG 2.92Å; A157-C189 VanDerWaalsContact O-SG 3.37Å; A157-H194 PolarHBondContact O-CD2 3.4Å; A157-H194 VanDerWaalsContact O-CD2 3.25Å
158	F	95	Very high	95.2	Very high	37 Å²	37	16.1 Å²	16.1	16%	0.162	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-38.1	178.7	178.4	-104.1	0	0	0	113.3	Y17 H154 L155 F188 S192 H194	Y17-F158 AromaticContact CD2-CD1 3.73Å; Y17-F158 HydrophobicContact CD2-CD1 3.73Å; Y17-F158 AromaticContact CD2-CE1 3.6Å; Y17-F158 HydrophobicContact CD2-CE1 3.6Å; Y17-F158 HydrophobicContact CD2-CG 4.3Å; Y17-F158 HydrophobicContact CD2-CZ 4.04Å; Y17-F158 AromaticContact CE2-CD1 3.98Å; Y17-F158 HydrophobicContact CE2-CD1 3.98Å; Y17-F158 HydrophobicContact CE2-CE1 4.23Å; Y17-F158 HydrophobicContact CE2-CG 4.11Å; H154-F158 WeakPolarHBondContact O-CB 3.34Å; H154-F158 PolarHBondContact O-N 3.09Å; L155-F158 PolarHBondContact O-N 2.9Å; F158-F188 HydrophobicContact CB-CB 4.02Å; F158-F188 HydrophobicContact CB-CD1 3.88Å; F158-F188 HydrophobicContact CB-CG 4.22Å; F158-F188 AromaticContact CD2-CD1 3.66Å; F158-F188 HydrophobicContact CD2-CD1 3.66Å; F158-F188 HydrophobicContact CD2-CE1 4.43Å; F158-F188 HydrophobicContact CG-CD1 4.08Å; F158-S192 WeakPolarHBondContact CD2-OG 3.42Å; F158-S192 VanDerWaalsContact CE2-OG 3.26Å; F158-S192 WeakPolarHBondContact CE2-OG 3.47Å; F158-S192 WeakPolarHBondContact O-CB 3.37Å; F158-S192 PolarHBondContact O-OG 3.25Å; F158-H194 PolarHBondContact O-CD2 3.37Å; F158-H194 PolarHBondContact O-NE2 2.97Å; F158-H194 VanDerWaalsContact O-NE2 3.15Å
159	N	94.3	Very high	95.9	Very high	53 Å²	53	17.3 Å²	17.3	28%	0.283	10%	0.095	S	C	.	.	H	α-helix	trans	-91.8	-1.8	-179.1	-70.7	-74.9	0	0	0	113.8	F125 L155 H161	F125-N159 PolarHBondContact O-ND2 3.45Å; L155-N159 PolarHBondContact O-N 3.4Å; L155-N159 VanDerWaalsContact O-N 3.15Å; L155-N159 PolarHBondContact O-ND2 3.45Å; N159-H161 WeakPolarHBondContact CB-NE2 3.26Å
160	G	96.3	Very high	96.4	Very high	21 Å²	21	23 Å²	23	22%	0.216	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	19.1	174.1	0	0	0	0	0	114.8	A156 M162 H194	A156-G160 PolarHBondContact O-N 3.08Å; A156-G160 VanDerWaalsContact O-N 3.07Å; G160-M162 VanDerWaalsContact C-N 3.33Å; G160-M162 VanDerWaalsContact CA-CE 3.43Å; G160-M162 WeakPolarHBondContact O-CE 3.47Å; G160-M162 PolarHBondContact O-N 3.37Å; G160-H194 WeakPolarHBondContact CA-CD2 3.37Å; G160-H194 WeakPolarHBondContact CA-NE2 3.38Å; G160-H194 PolarHBondContact N-CD2 3.05Å; G160-H194 PolarHBondContact N-NE2 3.47Å
161	H	97.8	Very high	96.7	Very high	52 Å²	52	25.9 Å²	25.9	24%	0.241	13%	0.134	C	C	.	.			trans	-82.7	73.3	-176.5	-61.5	-40.8	0	0	0	112.1	S124 F125 G127 A156 N159 S163 V164 V165	S124-H161 PolarHBondContact O-CD2 3.4Å; F125-H161 PolarHBondContact O-NE2 3.25Å; G127-H161 WeakPolarHBondContact CA-CD2 3.45Å; G127-H161 PolarHBondContact N-CD2 3.18Å; G127-H161 PolarHBondContact N-NE2 3.28Å; A156-H161 HydrophobicContact CB-CB 4.45Å; A156-H161 PolarHBondContact O-N 3.36Å; N159-H161 WeakPolarHBondContact CB-NE2 3.26Å; H161-S163 VanDerWaalsContact C-N 3.3Å; H161-S163 PolarHBondContact O-N 3.47Å; H161-V164 HydrophobicContact CB-CB 4.21Å; H161-V164 HydrophobicContact CB-CG2 4.23Å; H161-V164 PolarHBondContact O-N 2.93Å; H161-V165 PolarHBondContact O-N 3.27Å
162	M	97.3	Very high	96.7	Very high	26 Å²	26	28 Å²	28	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-32	-170.5	-60.3	-58.2	105	0	0	114.7	G160 V165 H166 H194 R196 G197 L200	G160-M162 VanDerWaalsContact C-N 3.33Å; G160-M162 VanDerWaalsContact CA-CE 3.43Å; G160-M162 WeakPolarHBondContact O-CE 3.47Å; G160-M162 PolarHBondContact O-N 3.37Å; M162-V165 HydrophobicContact CE-CG2 4.17Å; M162-V165 PolarHBondContact O-N 3.5Å; M162-H166 WeakPolarHBondContact O-CB 3.31Å; M162-H166 PolarHBondContact O-N 2.95Å; M162-H194 HydrophobicContact CE-CB 4.29Å; M162-R196 HydrophobicContact CG-CB 4.4Å; M162-R196 HydrophobicContact CG-CG 4.12Å; M162-R196 HydrophobicContact SD-CB 4.4Å; M162-R196 HydrophobicContact SD-CG 4.38Å; M162-G197 WeakPolarHBondContact SD-CA 3.33Å; M162-G197 PolarHBondContact SD-N 2.83Å; M162-L200 HydrophobicContact CB-CD1 4.13Å; M162-L200 HydrophobicContact SD-CD1 4.09Å
163	S	97.6	Very high	96.7	Very high	49 Å²	49	28.5 Å²	28.5	34%	0.343	16%	0.16	S	C	.	.	H	α-helix	trans	-69.3	-35.7	175.3	56.9	0	0	0	0	112.1	E129 H161 E167	E129-S163 WeakPolarHBondContact OE2-CB 3.35Å; E129-S163 PolarHBondContact OE2-OG 3.45Å; H161-S163 VanDerWaalsContact C-N 3.3Å; H161-S163 PolarHBondContact O-N 3.47Å; S163-E167 PolarHBondContact O-N 3.18Å
164	V	98.1	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-72.4	-39.5	173	-176.1	0	0	0	0	111.4	E129 A132 A156 H161 H166 E167 L168	E129-V164 HydrophobicContact CB-CG2 4.39Å; A132-V164 HydrophobicContact CB-CG1 3.87Å; A132-V164 HydrophobicContact CB-CG2 4.33Å; A156-V164 HydrophobicContact CB-CB 4.15Å; A156-V164 HydrophobicContact CB-CG1 4.02Å; H161-V164 HydrophobicContact CB-CB 4.21Å; H161-V164 HydrophobicContact CB-CG2 4.23Å; H161-V164 PolarHBondContact O-N 2.93Å; V164-H166 VanDerWaalsContact C-N 3.3Å; V164-H166 PolarHBondContact O-N 3.02Å; V164-E167 PolarHBondContact O-N 3.11Å; V164-L168 HydrophobicContact CG1-CD1 3.87Å; V164-L168 HydrophobicContact CG1-CG 4.08Å; V164-L168 WeakPolarHBondContact O-CB 3.5Å; V164-L168 VanDerWaalsContact O-CG 3.25Å; V164-L168 WeakPolarHBondContact O-CG 3.42Å; V164-L168 PolarHBondContact O-N 3.35Å
165	V	98.1	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-54.4	-49.2	172.2	169.1	0	0	0	0	110.4	L153 A156 H161 M162 L168 L169 L201	L153-V165 HydrophobicContact CD1-CB 4.37Å; L153-V165 HydrophobicContact CD1-CG1 3.94Å; L153-V165 HydrophobicContact CD1-CG2 4.41Å; A156-V165 HydrophobicContact CB-CG2 3.72Å; H161-V165 PolarHBondContact O-N 3.27Å; M162-V165 HydrophobicContact CE-CG2 4.17Å; M162-V165 PolarHBondContact O-N 3.5Å; V165-L168 PolarHBondContact O-N 2.89Å; V165-L169 HydrophobicContact CG1-CD1 3.82Å; V165-L169 WeakPolarHBondContact O-CD1 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.23Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.39Å; V165-L169 VanDerWaalsContact O-N 3.07Å; V165-L201 HydrophobicContact CG1-CD2 4.31Å
166	H	96.8	Very high	96.7	Very high	87 Å²	87	34.2 Å²	34.2	40%	0.403	20%	0.195	S	C	.	.	H	α-helix	trans	-58.7	-48.9	176.4	-173.7	-84.1	0	0	0	111.8	M162 V164 L168 L169 E170	M162-H166 WeakPolarHBondContact O-CB 3.31Å; M162-H166 PolarHBondContact O-N 2.95Å; V164-H166 VanDerWaalsContact C-N 3.3Å; V164-H166 PolarHBondContact O-N 3.02Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.16Å; H166-L169 PolarHBondContact O-N 3.26Å; H166-E170 IonicContact CE1-OE1 3.28Å; H166-E170 PolarHBondContact CE1-OE1 3.04Å; H166-E170 IonicContact CE1-OE2 3.67Å; H166-E170 IonicContact ND1-OE1 3.43Å; H166-E170 IonicContact ND1-OE2 3.97Å; H166-E170 PolarHBondContact ND1-OE2 3.24Å; H166-E170 WeakPolarHBondContact O-CG 3.17Å; H166-E170 PolarHBondContact O-N 3.25Å
167	E	96.3	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-44.6	179.9	-166.6	64.9	-169.1	0	0	113	R133 S163 V164 E170 H171	R133-E167 HydrophobicContact CB-CG 4.1Å; R133-E167 WeakPolarHBondContact CB-OE1 3.26Å; R133-E167 VanDerWaalsContact CG-OE1 3.26Å; R133-E167 WeakPolarHBondContact CG-OE1 3.46Å; R133-E167 IonicContact CZ-OE1 3.04Å; R133-E167 IonicContact CZ-OE2 3.39Å; R133-E167 IonicContact NE-OE2 3.08Å; R133-E167 IonicContact NH1-OE1 3.2Å; R133-E167 PolarHBondContact NH1-OE1 3.04Å; R133-E167 IonicContact NH1-OE2 3.53Å; R133-E167 PolarHBondContact NH1-OE2 3.23Å; R133-E167 IonicContact NH2-OE2 3.75Å; R133-E167 PolarHBondContact NH2-OE2 2.85Å; R133-E167 VanDerWaalsContact NH2-OE2 3.11Å; S163-E167 PolarHBondContact O-N 3.18Å; V164-E167 PolarHBondContact O-N 3.11Å; E167-E170 PolarHBondContact O-N 3.17Å; E167-H171 PolarHBondContact O-N 3.38Å; E167-H171 VanDerWaalsContact O-N 3.16Å; E167-H171 PolarHBondContact O-ND1 2.82Å; E167-H171 IonicContact OE1-CE1 3.13Å; E167-H171 PolarHBondContact OE1-CE1 3.35Å; E167-H171 IonicContact OE1-ND1 3.86Å; E167-H171 IonicContact OE1-NE2 3.53Å
168	L	97.6	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-41.7	179.7	-71.8	171.5	0	0	0	111.3	I120 P152 L153 A156 V164 V165 H166 H171 G172 A173	I120-L168 HydrophobicContact CD1-CD2 3.64Å; I120-L168 HydrophobicContact CG1-CD2 4.02Å; P152-L168 VanDerWaalsContact C-CD1 3.49Å; P152-L168 HydrophobicContact CB-CD1 3.88Å; P152-L168 HydrophobicContact CB-CD2 3.85Å; L153-L168 HydrophobicContact CB-CD1 4.31Å; L153-L168 HydrophobicContact CD1-CB 4.33Å; L153-L168 HydrophobicContact CD1-CD1 4.42Å; A156-L168 HydrophobicContact CB-CD1 4.13Å; V164-L168 HydrophobicContact CG1-CD1 3.87Å; V164-L168 HydrophobicContact CG1-CG 4.08Å; V164-L168 WeakPolarHBondContact O-CB 3.5Å; V164-L168 VanDerWaalsContact O-CG 3.25Å; V164-L168 WeakPolarHBondContact O-CG 3.42Å; V164-L168 PolarHBondContact O-N 3.35Å; V165-L168 PolarHBondContact O-N 2.89Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.16Å; L168-H171 CarbonylContact O-C 3.48Å; L168-H171 PolarHBondContact O-N 3.36Å; L168-G172 PolarHBondContact O-N 3.3Å; L168-A173 HydrophobicContact CB-CB 3.9Å; L168-A173 WeakPolarHBondContact O-CB 3.17Å; L168-A173 PolarHBondContact O-N 3.13Å
169	L	96.9	Very high	96.2	Very high	32 Å²	32	39.9 Å²	39.9	17%	0.168	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-43.7	177.2	-69.3	167.5	0	0	0	111.3	L153 V165 H166 H171 G172 V175 L201 V204	L153-L169 HydrophobicContact CD1-CD2 4.29Å; L153-L169 HydrophobicContact CD1-CG 4.18Å; L153-L169 HydrophobicContact CD2-CD2 3.94Å; V165-L169 HydrophobicContact CG1-CD1 3.82Å; V165-L169 WeakPolarHBondContact O-CD1 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.23Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.39Å; V165-L169 VanDerWaalsContact O-N 3.07Å; H166-L169 PolarHBondContact O-N 3.26Å; L169-H171 PolarHBondContact O-N 3.45Å; L169-G172 PolarHBondContact O-N 2.9Å; L169-V175 HydrophobicContact CD2-CB 4.17Å; L169-L201 HydrophobicContact CD1-CD2 4.28Å; L169-V204 HydrophobicContact CD1-CG2 4.11Å; L169-V204 HydrophobicContact CD2-CG2 4.45Å
170	E	95.9	Very high	95.9	Very high	121 Å²	121	43.2 Å²	43.2	57%	0.565	23%	0.232	S	C	*	.	H	α-helix	trans	-60	-30.3	175.1	-74.4	-171.8	139.5	0	0	112.9	H166 E167	H166-E170 IonicContact CE1-OE1 3.28Å; H166-E170 PolarHBondContact CE1-OE1 3.04Å; H166-E170 IonicContact CE1-OE2 3.67Å; H166-E170 IonicContact ND1-OE1 3.43Å; H166-E170 IonicContact ND1-OE2 3.97Å; H166-E170 PolarHBondContact ND1-OE2 3.24Å; H166-E170 WeakPolarHBondContact O-CG 3.17Å; H166-E170 PolarHBondContact O-N 3.25Å; E167-E170 PolarHBondContact O-N 3.17Å
171	H	96.4	Very high	95.4	Very high	62 Å²	62	43.6 Å²	43.6	29%	0.287	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	20.5	-179.8	-65.6	79.8	0	0	0	113.6	P142 E167 L168 L169	P142-H171 WeakPolarHBondContact CG-O 3.29Å; E167-H171 PolarHBondContact O-N 3.38Å; E167-H171 VanDerWaalsContact O-N 3.16Å; E167-H171 PolarHBondContact O-ND1 2.82Å; E167-H171 IonicContact OE1-CE1 3.13Å; E167-H171 PolarHBondContact OE1-CE1 3.35Å; E167-H171 IonicContact OE1-ND1 3.86Å; E167-H171 IonicContact OE1-NE2 3.53Å; L168-H171 CarbonylContact O-C 3.48Å; L168-H171 PolarHBondContact O-N 3.36Å; L169-H171 PolarHBondContact O-N 3.45Å
172	G	95.4	Very high	95.1	Very high	45 Å²	45	41.7 Å²	41.7	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	21.2	167.2	0	0	0	0	0	116	N143 L168 L169 C174	N143-G172 PolarHBondContact ND2-O 3.02Å; L168-G172 PolarHBondContact O-N 3.3Å; L169-G172 PolarHBondContact O-N 2.9Å; G172-C174 PolarHBondContact O-N 3.41Å
173	A	97	Very high	94.9	Very high	10 Å²	10	40.9 Å²	40.9	8%	0.083	22%	0.218	C	C	.	.			trans	-62.8	131.3	168	0	0	0	0	0	111.2	P142 L153 L168 V175	P142-A173 HydrophobicContact CB-CB 4.19Å; L153-A173 HydrophobicContact CB-CB 4.21Å; L153-A173 HydrophobicContact CD2-CB 4.15Å; L168-A173 HydrophobicContact CB-CB 3.9Å; L168-A173 WeakPolarHBondContact O-CB 3.17Å; L168-A173 PolarHBondContact O-N 3.13Å; A173-V175 PolarHBondContact O-N 3.15Å
174	C	96.4	Very high	94.9	Very high	56 Å²	56	38.6 Å²	38.6	38%	0.378	20%	0.202	S	C	.	.			trans	-76.3	105.8	179.6	-65.8	0	0	0	0	110.7	N143 G172 N176 R177	N143-C174 PolarHBondContact ND2-SG 3.46Å; N143-C174 WeakPolarHBondContact OD1-CB 3.41Å; N143-C174 PolarHBondContact OD1-N 3.46Å; N143-C174 PolarHBondContact OD1-SG 2.77Å; G172-C174 PolarHBondContact O-N 3.41Å; C174-N176 VanDerWaalsContact C-N 3.31Å; C174-N176 PolarHBondContact O-N 3.24Å; C174-R177 HydrophobicContact CB-CB 3.86Å; C174-R177 WeakPolarHBondContact O-CB 3.44Å; C174-R177 PolarHBondContact O-N 3.26Å; C174-R177 VanDerWaalsContact O-N 3.13Å
175	V	96.4	Very high	94.8	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.115	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.8	-178.3	63.9	0	0	0	0	114.5	L169 A173 L201 V204 D205	L169-V175 HydrophobicContact CD2-CB 4.17Å; A173-V175 PolarHBondContact O-N 3.15Å; V175-L201 HydrophobicContact CG2-CB 4.14Å; V175-L201 HydrophobicContact CG2-CD2 3.84Å; V175-V204 HydrophobicContact CB-CG1 4.18Å; V175-V204 HydrophobicContact CG1-CG1 3.99Å; V175-V204 HydrophobicContact CG2-CB 4.42Å; V175-V204 HydrophobicContact CG2-CG1 4.49Å; V175-D205 HydrophobicContact CG1-CB 3.66Å
176	N	95.6	Very high	94.8	Very high	48 Å²	48	39 Å²	39	26%	0.257	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	10.3	-177.7	-60.5	-33.8	0	0	0	114.2	C174 K178 D205 S208	C174-N176 VanDerWaalsContact C-N 3.31Å; C174-N176 PolarHBondContact O-N 3.24Å; N176-K178 PolarHBondContact O-N 2.89Å; N176-D205 PolarHBondContact ND2-OD2 2.63Å; N176-S208 PolarHBondContact OD1-OG 3.27Å
177	R	95.1	Very high	94.8	Very high	76 Å²	76	34.9 Å²	34.9	29%	0.287	19%	0.185	S	C	.	.			trans	-61.3	141	177.7	-179.2	163.3	-77.4	-126.2	-8	109.1	N143 H154 C174 S184	N143-R177 PolarHBondContact O-NH1 2.95Å; H154-R177 PolarHBondContact CE1-O 3.1Å; H154-R177 PolarHBondContact NE2-O 2.91Å; C174-R177 HydrophobicContact CB-CB 3.86Å; C174-R177 WeakPolarHBondContact O-CB 3.44Å; C174-R177 PolarHBondContact O-N 3.26Å; C174-R177 VanDerWaalsContact O-N 3.13Å; R177-S184 WeakPolarHBondContact O-CA 3.23Å
178	K	94.4	Very high	94.7	Very high	69 Å²	69	35 Å²	35	30%	0.3	19%	0.186	S	C	.	.			trans	-107.2	142.8	177.9	-64.2	-178.5	-179.6	-179.3	0	111.2	R145 N176 G182 N183 D211	R145-K178 PolarHBondContact NH2-O 3.3Å; N176-K178 PolarHBondContact O-N 2.89Å; K178-G182 WeakPolarHBondContact CD-O 3.2Å; K178-N183 CarbonylContact C-O 3.56Å; K178-N183 VanDerWaalsContact CA-O 3.27Å; K178-N183 WeakPolarHBondContact CA-O 3.34Å; K178-D211 VanDerWaalsContact CE-OD2 3.27Å; K178-D211 WeakPolarHBondContact CE-OD2 3.5Å; K178-D211 IonicContact NZ-OD2 3.69Å; K178-D211 PolarHBondContact NZ-OD2 3.39Å
179	D	90.4	Very high	94.7	Very high	11 Å²	11	35 Å²	35	6%	0.059	19%	0.186	C	C	.	.			trans	-75.5	-175.7	166.9	75.6	-0.1	0	0	0	111.5	G149 E181 G182 N183 F188	G149-D179 WeakPolarHBondContact O-CA 3.5Å; D179-E181 VanDerWaalsContact C-N 3.25Å; D179-E181 PolarHBondContact O-N 3.22Å; D179-E181 VanDerWaalsContact OD1-C 3.28Å; D179-E181 WeakPolarHBondContact OD1-CA 3.43Å; D179-E181 PolarHBondContact OD1-N 3.36Å; D179-G182 PolarHBondContact O-N 3.44Å; D179-G182 VanDerWaalsContact O-N 3.16Å; D179-G182 PolarHBondContact OD1-N 3.34Å; D179-N183 PolarHBondContact N-O 3.22Å; D179-N183 PolarHBondContact OD1-N 2.87Å; D179-N183 PolarHBondContact OD2-ND2 2.89Å; D179-F188 VanDerWaalsContact OD2-CZ 3.27Å; D179-F188 WeakPolarHBondContact OD2-CZ 3.25Å
180	E	88.2	Confident	94.7	Very high	123 Å²	123	33.4 Å²	33.4	58%	0.575	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.5	178.5	-71.9	-178.9	173.5	0	0	113.8	V148 G182 L214	V148-E180 WeakPolarHBondContact O-CB 3.35Å; V148-E180 WeakPolarHBondContact O-CG 3.39Å; V148-E180 PolarHBondContact O-N 2.97Å; E180-G182 VanDerWaalsContact C-N 3.3Å; E180-L214 WeakPolarHBondContact O-CD1 3.22Å
181	E	85	Confident	94.6	Very high	30 Å²	30	30 Å²	30	14%	0.14	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.1	174.4	-68.8	-179.1	144.1	0	0	112	S11 F12 S13 D179 N183 N213 L214	S11-E181 WeakPolarHBondContact CB-OE2 3.5Å; F12-E181 VanDerWaalsContact CB-OE1 3.23Å; F12-E181 WeakPolarHBondContact CB-OE1 3.09Å; F12-E181 PolarHBondContact N-OE1 2.93Å; S13-E181 PolarHBondContact OG-OE2 2.89Å; D179-E181 VanDerWaalsContact C-N 3.25Å; D179-E181 PolarHBondContact O-N 3.22Å; D179-E181 VanDerWaalsContact OD1-C 3.28Å; D179-E181 WeakPolarHBondContact OD1-CA 3.43Å; D179-E181 PolarHBondContact OD1-N 3.36Å; E181-N183 VanDerWaalsContact C-N 3.32Å; E181-N183 WeakPolarHBondContact CB-ND2 3.43Å; E181-N213 WeakPolarHBondContact O-CB 3.34Å; E181-L214 WeakPolarHBondContact O-CB 3.47Å; E181-L214 WeakPolarHBondContact O-CG 3.18Å; E181-L214 PolarHBondContact O-N 3.18Å
182	G	92	Very high	94.5	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	79.7	8	-178.6	0	0	0	0	0	114.6	K178 D179 E180	K178-G182 WeakPolarHBondContact CD-O 3.2Å; D179-G182 PolarHBondContact O-N 3.44Å; D179-G182 VanDerWaalsContact O-N 3.16Å; D179-G182 PolarHBondContact OD1-N 3.34Å; E180-G182 VanDerWaalsContact C-N 3.3Å
183	N	94	Very high	94.6	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.048	15%	0.148	C	C	.	.			trans	-78.7	139.9	177.4	-58.7	-63.6	0	0	0	110.9	H154 K178 D179 E181 H187 F188 N213	H154-N183 PolarHBondContact NE2-O 2.88Å; K178-N183 CarbonylContact C-O 3.56Å; K178-N183 VanDerWaalsContact CA-O 3.27Å; K178-N183 WeakPolarHBondContact CA-O 3.34Å; D179-N183 PolarHBondContact N-O 3.22Å; D179-N183 PolarHBondContact OD1-N 2.87Å; D179-N183 PolarHBondContact OD2-ND2 2.89Å; E181-N183 VanDerWaalsContact C-N 3.32Å; E181-N183 WeakPolarHBondContact CB-ND2 3.43Å; N183-H187 HydrophobicContact CB-CB 3.88Å; N183-F188 HydrophobicContact CB-CD2 4.27Å; N183-F188 HydrophobicContact CB-CE2 3.73Å; N183-F188 HydrophobicContact CB-CZ 4.11Å; N183-N213 WeakPolarHBondContact OD1-CB 3.44Å; N183-N213 PolarHBondContact OD1-ND2 3.37Å
184	S	96.6	Very high	94.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	16%	0.156	C	C	.	.			trans	-102.5	173.5	168.5	67.6	0	0	0	0	111.5	R177 L186 H187 F188	R177-S184 WeakPolarHBondContact O-CA 3.23Å; S184-L186 PolarHBondContact O-N 3Å; S184-L186 VanDerWaalsContact O-N 3.12Å; S184-L186 PolarHBondContact OG-N 2.85Å; S184-H187 PolarHBondContact N-ND1 3.03Å; S184-H187 VanDerWaalsContact N-ND1 3.2Å; S184-H187 WeakPolarHBondContact O-CA 3.46Å; S184-H187 VanDerWaalsContact O-CB 3.32Å; S184-H187 WeakPolarHBondContact O-CB 3.28Å; S184-H187 PolarHBondContact O-N 3.12Å; S184-H187 PolarHBondContact OG-ND1 2.92Å; S184-F188 VanDerWaalsContact O-CD2 3.29Å; S184-F188 WeakPolarHBondContact O-CD2 3.28Å; S184-F188 PolarHBondContact O-N 3.09Å
185	A	97.2	Very high	94.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-54.8	-33	174.6	0	0	0	0	0	112.4	L153 H154 A157 F188 C189 L201	L153-A185 HydrophobicContact CD2-CB 3.99Å; L153-A185 HydrophobicContact CG-CB 3.86Å; H154-A185 PolarHBondContact CD2-N 3.26Å; H154-A185 PolarHBondContact NE2-N 2.97Å; A157-A185 HydrophobicContact CB-CB 3.98Å; A185-F188 PolarHBondContact O-N 2.86Å; A185-C189 PolarHBondContact O-N 2.84Å; A185-L201 VanDerWaalsContact C-CD1 3.5Å; A185-L201 HydrophobicContact CB-CD1 3.74Å; A185-L201 HydrophobicContact CB-CD2 3.92Å
186	L	97.2	Very high	94.6	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-42.5	175	-164.7	79	0	0	0	112	S184 C189 A190 L198 L201 L202 V209 A219 L235	S184-L186 PolarHBondContact O-N 3Å; S184-L186 VanDerWaalsContact O-N 3.12Å; S184-L186 PolarHBondContact OG-N 2.85Å; L186-C189 PolarHBondContact O-N 2.94Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 2.94Å; L186-L198 HydrophobicContact CD1-CD2 3.42Å; L186-L198 VanDerWaalsContact CD1-CD2 3.42Å; L186-L198 HydrophobicContact CG-CD2 3.83Å; L186-L198 WeakPolarHBondContact O-CD2 3.47Å; L186-L201 HydrophobicContact CD1-CB 4.23Å; L186-L202 HydrophobicContact CD1-CD1 4.37Å; L186-L202 HydrophobicContact CD1-CD2 3.72Å; L186-L202 HydrophobicContact CD1-CG 3.75Å; L186-L202 HydrophobicContact CD2-CD2 4.19Å; L186-V209 HydrophobicContact CD2-CB 4.14Å; L186-V209 HydrophobicContact CD2-CG2 4Å; L186-A219 HydrophobicContact CD2-CB 3.98Å; L186-A219 HydrophobicContact CG-CB 4.06Å; L186-L235 HydrophobicContact CD2-CD2 4.3Å
187	H	96.2	Very high	94.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-44	175.9	-69.8	83.2	0	0	0	111.1	N183 S184 A190 K191 D211 D217 L222	N183-H187 HydrophobicContact CB-CB 3.88Å; S184-H187 PolarHBondContact N-ND1 3.03Å; S184-H187 VanDerWaalsContact N-ND1 3.2Å; S184-H187 WeakPolarHBondContact O-CA 3.46Å; S184-H187 VanDerWaalsContact O-CB 3.32Å; S184-H187 WeakPolarHBondContact O-CB 3.28Å; S184-H187 PolarHBondContact O-N 3.12Å; S184-H187 PolarHBondContact OG-ND1 2.92Å; H187-A190 PolarHBondContact O-N 3.15Å; H187-K191 VanDerWaalsContact O-CB 3.26Å; H187-K191 WeakPolarHBondContact O-CB 3.44Å; H187-K191 PolarHBondContact O-N 3.01Å; H187-D211 PolarHBondContact NE2-O 3.39Å; H187-D217 PolarHBondContact NE2-O 3.12Å; H187-L222 HydrophobicContact CB-CD1 3.68Å
188	F	95.2	Very high	94.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-45.6	178.1	-74.8	-73.9	0	0	0	112.8	Y17 H154 A157 F158 D179 N183 S184 A185 A190 K191 S192	Y17-F188 AromaticContact CE2-CE1 3.99Å; Y17-F188 HydrophobicContact CE2-CE1 3.99Å; H154-F188 HydrophobicContact CB-CD2 3.88Å; H154-F188 HydrophobicContact CB-CE2 3.77Å; H154-F188 HydrophobicContact CB-CZ 4.49Å; H154-F188 AromaticContact CD2-CD2 3.59Å; H154-F188 AromaticContact CD2-CE2 3.65Å; H154-F188 AromaticContact CG-CD2 3.97Å; H154-F188 AromaticContact CG-CE2 3.75Å; A157-F188 HydrophobicContact CB-CB 4.35Å; F158-F188 HydrophobicContact CB-CB 4.02Å; F158-F188 HydrophobicContact CB-CD1 3.88Å; F158-F188 HydrophobicContact CB-CG 4.22Å; F158-F188 AromaticContact CD2-CD1 3.66Å; F158-F188 HydrophobicContact CD2-CD1 3.66Å; F158-F188 HydrophobicContact CD2-CE1 4.43Å; F158-F188 HydrophobicContact CG-CD1 4.08Å; D179-F188 VanDerWaalsContact OD2-CZ 3.27Å; D179-F188 WeakPolarHBondContact OD2-CZ 3.25Å; N183-F188 HydrophobicContact CB-CD2 4.27Å; N183-F188 HydrophobicContact CB-CE2 3.73Å; N183-F188 HydrophobicContact CB-CZ 4.11Å; S184-F188 VanDerWaalsContact O-CD2 3.29Å; S184-F188 WeakPolarHBondContact O-CD2 3.28Å; S184-F188 PolarHBondContact O-N 3.09Å; A185-F188 PolarHBondContact O-N 2.86Å; F188-A190 VanDerWaalsContact C-N 3.32Å; F188-A190 PolarHBondContact O-N 3.41Å; F188-K191 PolarHBondContact O-N 3.47Å; F188-S192 PolarHBondContact O-N 3.49Å; F188-S192 PolarHBondContact O-OG 2.96Å
189	C	96.8	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-43.5	174.3	-82.2	0	0	0	0	111.9	A157 A185 L186 G193 H194 L198 L201	A157-C189 PolarHBondContact O-SG 2.92Å; A157-C189 VanDerWaalsContact O-SG 3.37Å; A185-C189 PolarHBondContact O-N 2.84Å; L186-C189 PolarHBondContact O-N 2.94Å; C189-G193 PolarHBondContact O-N 3.44Å; C189-H194 HydrophobicContact CB-CB 4.33Å; C189-H194 PolarHBondContact O-N 3.27Å; C189-L198 HydrophobicContact CB-CD2 3.56Å; C189-L198 HydrophobicContact CB-CG 3.92Å; C189-L201 HydrophobicContact CB-CD1 4.42Å
190	A	97.2	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-41.2	179.4	0	0	0	0	0	112.1	L186 H187 F188 G193 L198 A219 A223 H228 L235	L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 2.94Å; H187-A190 PolarHBondContact O-N 3.15Å; F188-A190 VanDerWaalsContact C-N 3.32Å; F188-A190 PolarHBondContact O-N 3.41Å; A190-G193 PolarHBondContact O-N 2.94Å; A190-L198 HydrophobicContact CB-CD1 4.44Å; A190-L198 HydrophobicContact CB-CD2 4.17Å; A190-A219 HydrophobicContact CB-CB 3.87Å; A190-A219 WeakPolarHBondContact CB-O 3.34Å; A190-A223 HydrophobicContact CB-CB 4.2Å; A190-A223 WeakPolarHBondContact O-CA 3.26Å; A190-H228 PolarHBondContact O-CD2 3.31Å; A190-L235 HydrophobicContact CB-CD1 4.29Å
191	K	94.5	Very high	95.5	Very high	49 Å²	49	23.5 Å²	23.5	21%	0.213	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-42.1	177.3	-172.2	-177.2	-177.6	-171.9	0	112.8	S11 D14 H187 F188 L222 H228	S11-K191 PolarHBondContact OG-NZ 3.4Å; D14-K191 WeakPolarHBondContact OD1-CE 3.46Å; D14-K191 IonicContact OD1-NZ 2.77Å; D14-K191 PolarHBondContact OD1-NZ 3.24Å; D14-K191 WeakPolarHBondContact OD2-CE 3.4Å; D14-K191 IonicContact OD2-NZ 3.98Å; D14-K191 PolarHBondContact OD2-NZ 3.28Å; H187-K191 VanDerWaalsContact O-CB 3.26Å; H187-K191 WeakPolarHBondContact O-CB 3.44Å; H187-K191 PolarHBondContact O-N 3.01Å; F188-K191 PolarHBondContact O-N 3.47Å; K191-L222 HydrophobicContact CB-CB 4.06Å; K191-L222 HydrophobicContact CB-CD1 4.3Å; K191-H228 PolarHBondContact O-CD2 2.84Å; K191-H228 PolarHBondContact O-NE2 3.43Å
192	S	93.8	Very high	96	Very high	33 Å²	33	22.9 Å²	22.9	23%	0.231	12%	0.118	C	C	.	.	H	α-helix	trans	-88.3	-6.7	-178.2	-62.8	0	0	0	0	114.2	F158 F188 H194	F158-S192 WeakPolarHBondContact CD2-OG 3.42Å; F158-S192 VanDerWaalsContact CE2-OG 3.26Å; F158-S192 WeakPolarHBondContact CE2-OG 3.47Å; F158-S192 WeakPolarHBondContact O-CB 3.37Å; F158-S192 PolarHBondContact O-OG 3.25Å; F188-S192 PolarHBondContact O-N 3.49Å; F188-S192 PolarHBondContact O-OG 2.96Å; S192-H194 VanDerWaalsContact CB-CD2 3.41Å; S192-H194 WeakPolarHBondContact CB-CD2 3.33Å; S192-H194 WeakPolarHBondContact CB-NE2 3.42Å
193	G	96.5	Very high	96.1	Very high	23 Å²	23	28.3 Å²	28.3	24%	0.237	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	22.8	176.3	0	0	0	0	0	114.7	C189 A190 A195 H228 C231	C189-G193 PolarHBondContact O-N 3.44Å; A190-G193 PolarHBondContact O-N 2.94Å; G193-A195 PolarHBondContact O-N 3.47Å; G193-H228 VanDerWaalsContact CA-CG 3.44Å; G193-H228 PolarHBondContact N-CD2 2.48Å; G193-H228 PolarHBondContact N-NE2 2.93Å; G193-C231 VanDerWaalsContact CA-SG 3.58Å
194	H	97.8	Very high	96.2	Very high	55 Å²	55	32 Å²	32	26%	0.255	16%	0.164	S	C	.	.			trans	-90.7	76.2	-177.3	-60.3	-47.4	0	0	0	112.2	A157 F158 G160 M162 C189 S192 R196 G197 L198	A157-H194 PolarHBondContact O-CD2 3.4Å; A157-H194 VanDerWaalsContact O-CD2 3.25Å; F158-H194 PolarHBondContact O-CD2 3.37Å; F158-H194 PolarHBondContact O-NE2 2.97Å; F158-H194 VanDerWaalsContact O-NE2 3.15Å; G160-H194 WeakPolarHBondContact CA-CD2 3.37Å; G160-H194 WeakPolarHBondContact CA-NE2 3.38Å; G160-H194 PolarHBondContact N-CD2 3.05Å; G160-H194 PolarHBondContact N-NE2 3.47Å; M162-H194 HydrophobicContact CE-CB 4.29Å; C189-H194 HydrophobicContact CB-CB 4.33Å; C189-H194 PolarHBondContact O-N 3.27Å; S192-H194 VanDerWaalsContact CB-CD2 3.41Å; S192-H194 WeakPolarHBondContact CB-CD2 3.33Å; S192-H194 WeakPolarHBondContact CB-NE2 3.42Å; H194-R196 VanDerWaalsContact C-N 3.3Å; H194-R196 PolarHBondContact O-N 3.4Å; H194-G197 WeakPolarHBondContact O-CA 3.46Å; H194-G197 PolarHBondContact O-N 3.45Å; H194-L198 PolarHBondContact O-N 2.75Å; H194-L198 VanDerWaalsContact O-N 3.15Å
195	A	97.4	Very high	96.1	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-37.1	-177.6	0	0	0	0	0	113.5	G193 G197 L198 C199 E230 C231 V234	G193-A195 PolarHBondContact O-N 3.47Å; A195-G197 VanDerWaalsContact C-N 3.27Å; A195-G197 PolarHBondContact O-N 3.34Å; A195-L198 WeakPolarHBondContact O-CB 3.29Å; A195-L198 PolarHBondContact O-N 3.2Å; A195-C199 PolarHBondContact O-N 3.2Å; A195-E230 HydrophobicContact CB-CB 3.97Å; A195-C231 PolarHBondContact N-SG 2.94Å; A195-C231 VanDerWaalsContact N-SG 3.44Å; A195-V234 HydrophobicContact CB-CG2 4.39Å
196	R	96.3	Very high	95.9	Very high	187 Å²	187	37.7 Å²	37.7	71%	0.706	20%	0.199	S	C	*	.	H	α-helix	trans	-61.5	-35.7	174	-177.1	172.5	175.2	171	-0.4	112.4	M162 H194 C199 L200	M162-R196 HydrophobicContact CG-CB 4.4Å; M162-R196 HydrophobicContact CG-CG 4.12Å; M162-R196 HydrophobicContact SD-CB 4.4Å; M162-R196 HydrophobicContact SD-CG 4.38Å; H194-R196 VanDerWaalsContact C-N 3.3Å; H194-R196 PolarHBondContact O-N 3.4Å; R196-C199 PolarHBondContact O-N 3.33Å; R196-L200 WeakPolarHBondContact O-CG 3.29Å; R196-L200 PolarHBondContact O-N 3.45Å; R196-L200 VanDerWaalsContact O-N 3.11Å
197	G	96.2	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-39.5	176.2	0	0	0	0	0	111.8	M162 H194 A195 C199 L200 L201	M162-G197 WeakPolarHBondContact SD-CA 3.33Å; M162-G197 PolarHBondContact SD-N 2.83Å; H194-G197 WeakPolarHBondContact O-CA 3.46Å; H194-G197 PolarHBondContact O-N 3.45Å; A195-G197 VanDerWaalsContact C-N 3.27Å; A195-G197 PolarHBondContact O-N 3.34Å; G197-C199 VanDerWaalsContact C-N 3.33Å; G197-C199 PolarHBondContact O-N 3.06Å; G197-L200 PolarHBondContact O-N 2.98Å; G197-L201 WeakPolarHBondContact O-CB 3.49Å; G197-L201 WeakPolarHBondContact O-CG 3.49Å; G197-L201 PolarHBondContact O-N 3.27Å
198	L	96.6	Very high	95.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-46	171.2	-62.9	178	0	0	0	111.4	L186 C189 A190 H194 A195 L200 L201 L202 C231 V234 L235	L186-L198 HydrophobicContact CD1-CD2 3.42Å; L186-L198 VanDerWaalsContact CD1-CD2 3.42Å; L186-L198 HydrophobicContact CG-CD2 3.83Å; L186-L198 WeakPolarHBondContact O-CD2 3.47Å; C189-L198 HydrophobicContact CB-CD2 3.56Å; C189-L198 HydrophobicContact CB-CG 3.92Å; A190-L198 HydrophobicContact CB-CD1 4.44Å; A190-L198 HydrophobicContact CB-CD2 4.17Å; H194-L198 PolarHBondContact O-N 2.75Å; H194-L198 VanDerWaalsContact O-N 3.15Å; A195-L198 WeakPolarHBondContact O-CB 3.29Å; A195-L198 PolarHBondContact O-N 3.2Å; L198-L200 PolarHBondContact O-N 2.69Å; L198-L201 PolarHBondContact O-N 2.48Å; L198-L202 HydrophobicContact CB-CD1 4.44Å; L198-L202 VanDerWaalsContact O-CB 3.23Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 2.96Å; L198-C231 HydrophobicContact CD1-CB 3.58Å; L198-V234 HydrophobicContact CB-CG1 4.05Å; L198-L235 HydrophobicContact CD1-CD1 4.29Å; L198-L235 HydrophobicContact CD1-CD2 4.42Å; L198-L235 HydrophobicContact CD1-CG 4.08Å
199	C	96.3	Very high	95.4	Very high	33 Å²	33	42.2 Å²	42.2	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-57.4	-49.3	176.5	-68.1	0	0	0	0	112	A195 R196 G197 L201 L202 E203	A195-C199 PolarHBondContact O-N 3.2Å; R196-C199 PolarHBondContact O-N 3.33Å; G197-C199 VanDerWaalsContact C-N 3.33Å; G197-C199 PolarHBondContact O-N 3.06Å; C199-L201 PolarHBondContact O-N 2.86Å; C199-L202 PolarHBondContact O-N 3.47Å; C199-E203 WeakPolarHBondContact O-CB 3.5Å; C199-E203 VanDerWaalsContact O-CG 3.23Å; C199-E203 WeakPolarHBondContact O-CG 3.32Å; C199-E203 PolarHBondContact O-N 3.43Å
200	L	95.8	Very high	95.3	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.188	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-44.5	179.1	-71.3	173.7	0	0	0	112.4	M162 R196 G197 L198 V204	M162-L200 HydrophobicContact CB-CD1 4.13Å; M162-L200 HydrophobicContact SD-CD1 4.09Å; R196-L200 WeakPolarHBondContact O-CG 3.29Å; R196-L200 PolarHBondContact O-N 3.45Å; R196-L200 VanDerWaalsContact O-N 3.11Å; G197-L200 PolarHBondContact O-N 2.98Å; L198-L200 PolarHBondContact O-N 2.69Å; L200-V204 PolarHBondContact O-N 2.8Å
201	L	96.9	Very high	95.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-68.7	-42.4	-179.2	-64.3	168.8	0	0	0	111.6	L153 V165 L169 V175 A185 L186 C189 G197 L198 C199 E203 V204 D205	L153-L201 HydrophobicContact CD1-CD2 4.34Å; L153-L201 HydrophobicContact CD2-CD2 4.28Å; V165-L201 HydrophobicContact CG1-CD2 4.31Å; L169-L201 HydrophobicContact CD1-CD2 4.28Å; V175-L201 HydrophobicContact CG2-CB 4.14Å; V175-L201 HydrophobicContact CG2-CD2 3.84Å; A185-L201 VanDerWaalsContact C-CD1 3.5Å; A185-L201 HydrophobicContact CB-CD1 3.74Å; A185-L201 HydrophobicContact CB-CD2 3.92Å; L186-L201 HydrophobicContact CD1-CB 4.23Å; C189-L201 HydrophobicContact CB-CD1 4.42Å; G197-L201 WeakPolarHBondContact O-CB 3.49Å; G197-L201 WeakPolarHBondContact O-CG 3.49Å; G197-L201 PolarHBondContact O-N 3.27Å; L198-L201 PolarHBondContact O-N 2.48Å; C199-L201 PolarHBondContact O-N 2.86Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 2.93Å; L201-V204 PolarHBondContact O-N 3.29Å; L201-D205 PolarHBondContact O-N 3.39Å
202	L	95.8	Very high	95.3	Very high	17 Å²	17	48 Å²	48	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-71.1	-24.5	179.1	-67.8	171.6	0	0	0	113.1	L186 L198 C199 V204 C206 V209 V234 L235 R238	L186-L202 HydrophobicContact CD1-CD1 4.37Å; L186-L202 HydrophobicContact CD1-CD2 3.72Å; L186-L202 HydrophobicContact CD1-CG 3.75Å; L186-L202 HydrophobicContact CD2-CD2 4.19Å; L198-L202 HydrophobicContact CB-CD1 4.44Å; L198-L202 VanDerWaalsContact O-CB 3.23Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 2.96Å; C199-L202 PolarHBondContact O-N 3.47Å; L202-V204 VanDerWaalsContact C-N 3.33Å; L202-C206 HydrophobicContact CD2-CB 4.1Å; L202-V209 HydrophobicContact CD2-CB 4.21Å; L202-V209 HydrophobicContact CD2-CG2 4.2Å; L202-V234 HydrophobicContact CD1-CG1 4.05Å; L202-L235 HydrophobicContact CD1-CD2 4.5Å; L202-R238 HydrophobicContact CD1-CB 4.33Å
203	E	95	Very high	95.2	Very high	126 Å²	126	47 Å²	47	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-69.2	-32.1	170.8	-80.3	168.5	-170.5	0	0	112	C199 L201 R238	C199-E203 WeakPolarHBondContact O-CB 3.5Å; C199-E203 VanDerWaalsContact O-CG 3.23Å; C199-E203 WeakPolarHBondContact O-CG 3.32Å; C199-E203 PolarHBondContact O-N 3.43Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 2.93Å; E203-R238 IonicContact OE1-NH2 3.69Å
204	V	95.1	Very high	94.8	Very high	87 Å²	87	51.8 Å²	51.8	53%	0.527	27%	0.272	S	S	.	.	H	α-helix	trans	-77.5	-49.2	174	178.8	0	0	0	0	110.9	L169 V175 L200 L201 L202	L169-V204 HydrophobicContact CD1-CG2 4.11Å; L169-V204 HydrophobicContact CD2-CG2 4.45Å; V175-V204 HydrophobicContact CB-CG1 4.18Å; V175-V204 HydrophobicContact CG1-CG1 3.99Å; V175-V204 HydrophobicContact CG2-CB 4.42Å; V175-V204 HydrophobicContact CG2-CG1 4.49Å; L200-V204 PolarHBondContact O-N 2.8Å; L201-V204 PolarHBondContact O-N 3.29Å; L202-V204 VanDerWaalsContact C-N 3.33Å
205	D	94.3	Very high	94.2	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.273	27%	0.271	S	S	.	.			trans	-157.5	127.4	178	-166.8	-12.3	0	0	0	112.2	V175 N176 L201 S207	V175-D205 HydrophobicContact CG1-CB 3.66Å; N176-D205 PolarHBondContact ND2-OD2 2.63Å; L201-D205 PolarHBondContact O-N 3.39Å; D205-S207 VanDerWaalsContact CG-OG 3.25Å; D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 3.2Å; D205-S207 PolarHBondContact OD1-OG 3.13Å; D205-S207 PolarHBondContact OD2-OG 2.94Å; D205-S207 VanDerWaalsContact OD2-OG 3.13Å
206	C	92.8	Very high	93.9	Very high	69 Å²	69	51.4 Å²	51.4	47%	0.466	27%	0.27	S	S	.	.			trans	-107.5	0.5	176.6	66.9	0	0	0	0	114.2	L202 S208 V209	L202-C206 HydrophobicContact CD2-CB 4.1Å; C206-S208 VanDerWaalsContact C-N 3.3Å; C206-S208 PolarHBondContact O-N 2.73Å; C206-V209 WeakPolarHBondContact O-CB 3.35Å; C206-V209 WeakPolarHBondContact O-CG1 3.47Å; C206-V209 PolarHBondContact O-N 3.27Å
207	S	92.2	Very high	93.8	Very high	88 Å²	88	42.8 Å²	42.8	62%	0.615	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.4	-173.8	62	0	0	0	0	114.1	D205	D205-S207 VanDerWaalsContact CG-OG 3.25Å; D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 3.2Å; D205-S207 PolarHBondContact OD1-OG 3.13Å; D205-S207 PolarHBondContact OD2-OG 2.94Å; D205-S207 VanDerWaalsContact OD2-OG 3.13Å
208	S	91.8	Very high	93.8	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.063	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	8.3	-176.4	73	0	0	0	0	114.1	N176 C206 H210 D211	N176-S208 PolarHBondContact OD1-OG 3.27Å; C206-S208 VanDerWaalsContact C-N 3.3Å; C206-S208 PolarHBondContact O-N 2.73Å; S208-H210 PolarHBondContact O-N 3.18Å; S208-H210 VanDerWaalsContact O-N 3.13Å; S208-D211 VanDerWaalsContact O-CB 3.24Å; S208-D211 WeakPolarHBondContact O-CB 3.5Å; S208-D211 PolarHBondContact O-N 3.29Å
209	V	94.6	Very high	93.9	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.5	-173.9	62.6	0	0	0	0	114.4	L186 L202 C206 L235 C239	L186-V209 HydrophobicContact CD2-CB 4.14Å; L186-V209 HydrophobicContact CD2-CG2 4Å; L202-V209 HydrophobicContact CD2-CB 4.21Å; L202-V209 HydrophobicContact CD2-CG2 4.2Å; C206-V209 WeakPolarHBondContact O-CB 3.35Å; C206-V209 WeakPolarHBondContact O-CG1 3.47Å; C206-V209 PolarHBondContact O-N 3.27Å; V209-L235 HydrophobicContact CG2-CD2 3.79Å; V209-C239 HydrophobicContact CB-CB 4.08Å; V209-C239 HydrophobicContact CG1-CB 3.51Å; V209-C239 HydrophobicContact CG2-CB 3.64Å
210	H	95.3	Very high	93.9	Very high	36 Å²	36	41.4 Å²	41.4	17%	0.167	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	6.4	178.7	-56.8	-59.6	0	0	0	113.5	S208 C239 S243 K246	S208-H210 PolarHBondContact O-N 3.18Å; S208-H210 VanDerWaalsContact O-N 3.13Å; H210-C239 PolarHBondContact CE1-O 3.14Å; H210-C239 PolarHBondContact NE2-O 3.27Å; H210-C239 VanDerWaalsContact NE2-O 3.11Å; H210-S243 PolarHBondContact ND1-OG 3.33Å; H210-K246 PolarHBondContact O-NZ 2.99Å
211	D	95.6	Very high	94	Very high	59 Å²	59	39.7 Å²	39.7	32%	0.316	22%	0.22	S	C	.	.			trans	-64.3	144.9	176.4	-81.3	10.3	0	0	0	110.6	K178 H187 S208 T218	K178-D211 VanDerWaalsContact CE-OD2 3.27Å; K178-D211 WeakPolarHBondContact CE-OD2 3.5Å; K178-D211 IonicContact NZ-OD2 3.69Å; K178-D211 PolarHBondContact NZ-OD2 3.39Å; H187-D211 PolarHBondContact NE2-O 3.39Å; S208-D211 VanDerWaalsContact O-CB 3.24Å; S208-D211 WeakPolarHBondContact O-CB 3.5Å; S208-D211 PolarHBondContact O-N 3.29Å; D211-T218 WeakPolarHBondContact O-CA 3.4Å
212	Q	95.1	Very high	93.9	Very high	76 Å²	76	40.4 Å²	40.4	36%	0.355	22%	0.224	S	C	.	.			trans	-103.5	141	174.9	-68.3	175.2	-70.6	0	0	109.8	G216 D217 T218 E247	Q212-G216 WeakPolarHBondContact CG-O 3.46Å; Q212-G216 PolarHBondContact NE2-O 3.16Å; Q212-D217 WeakPolarHBondContact CA-O 3.48Å; Q212-T218 HydrophobicContact CG-CG2 3.72Å; Q212-E247 PolarHBondContact NE2-O 3.13Å; Q212-E247 VanDerWaalsContact NE2-O 3.11Å
213	N	91.3	Very high	93.9	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	22%	0.219	C	C	.	.			trans	-76.9	-174.8	168.5	74.4	5.9	0	0	0	110.8	E181 N183 H215 G216 D217	E181-N213 WeakPolarHBondContact O-CB 3.34Å; N183-N213 WeakPolarHBondContact OD1-CB 3.44Å; N183-N213 PolarHBondContact OD1-ND2 3.37Å; N213-H215 PolarHBondContact O-N 3.22Å; N213-H215 VanDerWaalsContact O-N 3.16Å; N213-H215 WeakPolarHBondContact OD1-CA 3.43Å; N213-H215 WeakPolarHBondContact OD1-CB 3.31Å; N213-H215 PolarHBondContact OD1-N 3.27Å; N213-G216 PolarHBondContact O-N 3.42Å; N213-G216 PolarHBondContact OD1-N 2.92Å; N213-D217 PolarHBondContact N-O 3.41Å; N213-D217 PolarHBondContact OD1-N 3.05Å; N213-D217 PolarHBondContact OD1-O 3Å
214	L	88.7	Confident	94	Very high	124 Å²	124	33.6 Å²	33.6	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.6	179.3	-68.5	-171.5	0	0	0	114.1	E180 E181 G216	E180-L214 WeakPolarHBondContact O-CD1 3.22Å; E181-L214 WeakPolarHBondContact O-CB 3.47Å; E181-L214 WeakPolarHBondContact O-CG 3.18Å; E181-L214 PolarHBondContact O-N 3.18Å; L214-G216 VanDerWaalsContact C-N 3.32Å
215	H	85.1	Confident	93.9	Very high	49 Å²	49	30.3 Å²	30.3	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.2	172.8	-56.8	-54	0	0	0	113	N213 D217 N248 I249 F250	N213-H215 PolarHBondContact O-N 3.22Å; N213-H215 VanDerWaalsContact O-N 3.16Å; N213-H215 WeakPolarHBondContact OD1-CA 3.43Å; N213-H215 WeakPolarHBondContact OD1-CB 3.31Å; N213-H215 PolarHBondContact OD1-N 3.27Å; H215-D217 PolarHBondContact O-N 3.35Å; H215-N248 WeakPolarHBondContact O-CB 3.36Å; H215-I249 HydrophobicContact CB-CD1 4.36Å; H215-I249 VanDerWaalsContact O-CG1 3.31Å; H215-I249 WeakPolarHBondContact O-CG1 3.47Å; H215-I249 WeakPolarHBondContact O-CG2 3.4Å; H215-I249 PolarHBondContact O-N 3.13Å; H215-F250 HydrophobicContact CB-CE2 4.38Å
216	G	91.3	Very high	93.8	Very high	10 Å²	10	28.5 Å²	28.5	10%	0.103	16%	0.163	C	C	.	.	S	Bend	trans	75.8	5.7	-173.1	0	0	0	0	0	113.2	Q212 N213 L214 N248	Q212-G216 WeakPolarHBondContact CG-O 3.46Å; Q212-G216 PolarHBondContact NE2-O 3.16Å; N213-G216 PolarHBondContact O-N 3.42Å; N213-G216 PolarHBondContact OD1-N 2.92Å; L214-G216 VanDerWaalsContact C-N 3.32Å; G216-N248 WeakPolarHBondContact O-CA 3.41Å; G216-N248 WeakPolarHBondContact O-CB 3.47Å
217	D	94.3	Very high	93.9	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	15%	0.148	C	C	.	.			trans	-81	131.9	179.9	-69	-46.2	0	0	0	110.2	H187 Q212 N213 H215 H221 L222 N248	H187-D217 PolarHBondContact NE2-O 3.12Å; Q212-D217 WeakPolarHBondContact CA-O 3.48Å; N213-D217 PolarHBondContact N-O 3.41Å; N213-D217 PolarHBondContact OD1-N 3.05Å; N213-D217 PolarHBondContact OD1-O 3Å; H215-D217 PolarHBondContact O-N 3.35Å; D217-H221 HydrophobicContact CB-CB 3.88Å; D217-H221 WeakPolarHBondContact OD1-CB 3.49Å; D217-H221 IonicContact OD1-CD2 3.32Å; D217-H221 IonicContact OD1-CG 2.62Å; D217-L222 HydrophobicContact CB-CD2 4.01Å; D217-L222 HydrophobicContact CB-CG 4.2Å; D217-N248 WeakPolarHBondContact OD1-CB 3.45Å; D217-N248 PolarHBondContact OD1-ND2 3.17Å
218	T	97.1	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.			trans	-86.3	168.7	162.4	69.4	0	0	0	0	110.4	D211 Q212 L220 H221 L222 K246	D211-T218 WeakPolarHBondContact O-CA 3.4Å; Q212-T218 HydrophobicContact CG-CG2 3.72Å; T218-L220 PolarHBondContact O-N 3.26Å; T218-L220 VanDerWaalsContact O-N 3.1Å; T218-L220 PolarHBondContact OG1-N 3.48Å; T218-H221 PolarHBondContact N-ND1 3Å; T218-H221 VanDerWaalsContact N-ND1 3.17Å; T218-H221 WeakPolarHBondContact O-CB 3.41Å; T218-H221 PolarHBondContact O-N 3.2Å; T218-H221 PolarHBondContact OG1-ND1 3.13Å; T218-L222 PolarHBondContact O-N 3.37Å; T218-K246 HydrophobicContact CG2-CD 4.02Å
219	A	97.1	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-51.2	-35.5	171.5	0	0	0	0	0	112.6	L186 A190 L222 A223 L235	L186-A219 HydrophobicContact CD2-CB 3.98Å; L186-A219 HydrophobicContact CG-CB 4.06Å; A190-A219 HydrophobicContact CB-CB 3.87Å; A190-A219 WeakPolarHBondContact CB-O 3.34Å; A219-L222 PolarHBondContact O-N 3.06Å; A219-A223 PolarHBondContact O-N 2.87Å; A219-L235 HydrophobicContact CB-CD1 4.01Å; A219-L235 HydrophobicContact CB-CD2 4.09Å
220	L	97.9	Very high	94.6	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-39.4	177.5	-176	59.4	0	0	0	112.5	T218 L222 A223 C224 A232 L235 I236 L244 P254	T218-L220 PolarHBondContact O-N 3.26Å; T218-L220 VanDerWaalsContact O-N 3.1Å; T218-L220 PolarHBondContact OG1-N 3.48Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 3.34Å; L220-A223 PolarHBondContact O-N 3.41Å; L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.45Å; L220-C224 PolarHBondContact O-SG 2.98Å; L220-A232 HydrophobicContact CD1-CB 3.78Å; L220-L235 HydrophobicContact CB-CD1 4.22Å; L220-L235 HydrophobicContact CD1-CD1 4.38Å; L220-I236 HydrophobicContact CD1-CD1 4.05Å; L220-I236 HydrophobicContact CD1-CG1 4.32Å; L220-I236 HydrophobicContact CD2-CD1 4.18Å; L220-I236 HydrophobicContact CD2-CG1 4.08Å; L220-L244 HydrophobicContact CD2-CD2 3.89Å; L220-L244 HydrophobicContact CD2-CG 4.14Å; L220-P254 HydrophobicContact CD2-CB 4.16Å; L220-P254 HydrophobicContact CD2-CG 3.88Å; L220-P254 HydrophobicContact CG-CB 3.98Å; L220-P254 HydrophobicContact CG-CG 3.93Å
221	H	96.3	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-46.1	174.7	-68.9	78.8	0	0	0	110.9	D217 T218 C224 Y225 K246 E252 C257	D217-H221 HydrophobicContact CB-CB 3.88Å; D217-H221 WeakPolarHBondContact OD1-CB 3.49Å; D217-H221 IonicContact OD1-CD2 3.32Å; D217-H221 IonicContact OD1-CG 2.62Å; T218-H221 PolarHBondContact N-ND1 3Å; T218-H221 VanDerWaalsContact N-ND1 3.17Å; T218-H221 WeakPolarHBondContact O-CB 3.41Å; T218-H221 PolarHBondContact O-N 3.2Å; T218-H221 PolarHBondContact OG1-ND1 3.13Å; H221-C224 WeakPolarHBondContact O-CB 3.48Å; H221-C224 PolarHBondContact O-N 3.43Å; H221-C224 VanDerWaalsContact O-N 3.14Å; H221-Y225 VanDerWaalsContact O-CD2 3.28Å; H221-Y225 WeakPolarHBondContact O-CD2 3.22Å; H221-Y225 PolarHBondContact O-N 3.34Å; H221-K246 PolarHBondContact CE1-O 3.42Å; H221-K246 PolarHBondContact NE2-O 3.19Å; H221-E252 PolarHBondContact CD2-O 2.75Å; H221-E252 PolarHBondContact NE2-O 2.93Å; H221-C257 VanDerWaalsContact CD2-SG 3.52Å
222	L	94.9	Very high	94.9	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-42.3	-179.6	-61	179.9	0	0	0	112.6	H187 K191 D217 T218 A219 L220 C224 Y225 G226	H187-L222 HydrophobicContact CB-CD1 3.68Å; K191-L222 HydrophobicContact CB-CB 4.06Å; K191-L222 HydrophobicContact CB-CD1 4.3Å; D217-L222 HydrophobicContact CB-CD2 4.01Å; D217-L222 HydrophobicContact CB-CG 4.2Å; T218-L222 PolarHBondContact O-N 3.37Å; A219-L222 PolarHBondContact O-N 3.06Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 3.34Å; L222-C224 PolarHBondContact O-N 3.16Å; L222-Y225 HydrophobicContact CD2-CD2 4.49Å; L222-Y225 PolarHBondContact O-N 2.82Å; L222-G226 PolarHBondContact O-N 3.43Å; L222-G226 VanDerWaalsContact O-N 3.07Å
223	A	97.1	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.5	-40.9	171	0	0	0	0	0	111.2	A190 A219 L220 G226 G227 H228 C231 L235	A190-A223 HydrophobicContact CB-CB 4.2Å; A190-A223 WeakPolarHBondContact O-CA 3.26Å; A219-A223 PolarHBondContact O-N 2.87Å; L220-A223 PolarHBondContact O-N 3.41Å; A223-G226 CarbonylContact O-C 3.6Å; A223-G226 PolarHBondContact O-N 3.1Å; A223-G227 PolarHBondContact O-N 3.43Å; A223-H228 HydrophobicContact CB-CB 4.41Å; A223-H228 PolarHBondContact O-N 3.36Å; A223-C231 HydrophobicContact CB-CB 3.88Å; A223-L235 HydrophobicContact CB-CD1 4.39Å
224	C	96.9	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.1	-43.2	-179.2	-70.5	0	0	0	0	113.5	L220 H221 L222 G226 G227 P254 C257 A258 L267	L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.45Å; L220-C224 PolarHBondContact O-SG 2.98Å; H221-C224 WeakPolarHBondContact O-CB 3.48Å; H221-C224 PolarHBondContact O-N 3.43Å; H221-C224 VanDerWaalsContact O-N 3.14Å; L222-C224 PolarHBondContact O-N 3.16Å; C224-G226 PolarHBondContact O-N 2.8Å; C224-G227 PolarHBondContact O-N 3.49Å; C224-G227 VanDerWaalsContact O-N 3.11Å; C224-P254 HydrophobicContact CB-CB 4.43Å; C224-P254 VanDerWaalsContact CB-O 3.31Å; C224-P254 WeakPolarHBondContact CB-O 3.45Å; C224-C257 HydrophobicContact CB-CB 3.84Å; C224-A258 HydrophobicContact CB-CB 4.12Å; C224-A258 WeakPolarHBondContact O-CA 3.17Å; C224-L267 HydrophobicContact CB-CD2 4.24Å
225	Y	93.1	Very high	95.6	Very high	19 Å²	19	20.6 Å²	20.6	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-32.9	171	-72	-52.7	0	0	0	113	R7 H221 L222 G227 N248 E252 C257 K263	R7-Y225 VanDerWaalsContact CZ-OH 3.29Å; R7-Y225 VanDerWaalsContact NH2-CD2 3.31Å; R7-Y225 VanDerWaalsContact NH2-CG 3.29Å; R7-Y225 PolarHBondContact NH2-OH 2.64Å; H221-Y225 VanDerWaalsContact O-CD2 3.28Å; H221-Y225 WeakPolarHBondContact O-CD2 3.22Å; H221-Y225 PolarHBondContact O-N 3.34Å; L222-Y225 HydrophobicContact CD2-CD2 4.49Å; L222-Y225 PolarHBondContact O-N 2.82Å; Y225-G227 VanDerWaalsContact C-N 3.33Å; Y225-N248 PolarHBondContact OH-ND2 3.49Å; Y225-E252 WeakPolarHBondContact CE1-OE2 3.45Å; Y225-E252 PolarHBondContact OH-OE2 3.29Å; Y225-C257 HydrophobicContact CD1-CB 3.59Å; Y225-C257 VanDerWaalsContact CD1-O 3.27Å; Y225-C257 WeakPolarHBondContact CD1-O 3.26Å; Y225-C257 HydrophobicContact CD2-CB 4.14Å; Y225-C257 HydrophobicContact CE1-CB 3.44Å; Y225-C257 VanDerWaalsContact CE1-CB 3.44Å; Y225-C257 VanDerWaalsContact CE1-SG 3.54Å; Y225-C257 HydrophobicContact CE2-CB 4.06Å; Y225-C257 VanDerWaalsContact CE2-SG 3.59Å; Y225-C257 HydrophobicContact CG-CB 3.93Å; Y225-K263 PolarHBondContact O-NZ 3.1Å
226	G	91.2	Very high	96.2	Very high	13 Å²	13	18.6 Å²	18.6	13%	0.134	10%	0.102	C	C	.	.	H	α-helix	trans	-74.1	-19.3	176.6	0	0	0	0	0	114.5	L222 A223 C224 H228 K263	L222-G226 PolarHBondContact O-N 3.43Å; L222-G226 VanDerWaalsContact O-N 3.07Å; A223-G226 CarbonylContact O-C 3.6Å; A223-G226 PolarHBondContact O-N 3.1Å; C224-G226 PolarHBondContact O-N 2.8Å; G226-H228 VanDerWaalsContact C-N 3.29Å; G226-K263 WeakPolarHBondContact O-CD 3.41Å
227	G	95.6	Very high	96.3	Very high	14 Å²	14	25.2 Å²	25.2	14%	0.144	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	17.4	-170.7	0	0	0	0	0	113.5	A223 C224 Y225 L229 S264	A223-G227 PolarHBondContact O-N 3.43Å; C224-G227 PolarHBondContact O-N 3.49Å; C224-G227 VanDerWaalsContact O-N 3.11Å; Y225-G227 VanDerWaalsContact C-N 3.33Å; G227-L229 PolarHBondContact O-N 3.39Å; G227-S264 WeakPolarHBondContact O-CB 3.39Å
228	H	97.7	Very high	96.2	Very high	52 Å²	52	32.1 Å²	32.1	24%	0.241	16%	0.156	C	C	.	.			trans	-84.6	80.4	-169.2	-58.2	-50.5	0	0	0	111.6	A190 K191 G193 A223 G226 E230 C231 A232	A190-H228 PolarHBondContact O-CD2 3.31Å; K191-H228 PolarHBondContact O-CD2 2.84Å; K191-H228 PolarHBondContact O-NE2 3.43Å; G193-H228 VanDerWaalsContact CA-CG 3.44Å; G193-H228 PolarHBondContact N-CD2 2.48Å; G193-H228 PolarHBondContact N-NE2 2.93Å; A223-H228 HydrophobicContact CB-CB 4.41Å; A223-H228 PolarHBondContact O-N 3.36Å; G226-H228 VanDerWaalsContact C-N 3.29Å; H228-E230 VanDerWaalsContact C-N 3.33Å; H228-E230 PolarHBondContact O-N 2.95Å; H228-C231 HydrophobicContact CB-CB 3.93Å; H228-C231 PolarHBondContact O-N 3.18Å; H228-A232 PolarHBondContact O-N 3.11Å
229	L	98	Very high	95.8	Very high	46 Å²	46	33.2 Å²	33.2	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-54.4	-43.8	-178	173.4	60.1	0	0	0	113.3	G227 C231 A232 T233 E266 L267 F270	G227-L229 PolarHBondContact O-N 3.39Å; L229-C231 VanDerWaalsContact C-N 3.35Å; L229-C231 PolarHBondContact O-N 3.07Å; L229-A232 PolarHBondContact O-N 3.13Å; L229-T233 WeakPolarHBondContact O-CB 3.25Å; L229-T233 PolarHBondContact O-N 3.04Å; L229-T233 PolarHBondContact O-OG1 2.92Å; L229-E266 HydrophobicContact CD2-CB 4.07Å; L229-L267 HydrophobicContact CB-CB 4.44Å; L229-L267 HydrophobicContact CD1-CD1 4.25Å; L229-F270 HydrophobicContact CD1-CB 3.62Å; L229-F270 HydrophobicContact CD1-CD1 3.81Å; L229-F270 HydrophobicContact CD1-CD2 4.23Å; L229-F270 HydrophobicContact CD1-CG 3.62Å
230	E	97.8	Very high	95.5	Very high	142 Å²	142	34.5 Å²	34.5	66%	0.664	18%	0.177	S	C	*	.	H	α-helix	trans	-62.5	-42.7	179.6	-66.5	177.6	-177.5	0	0	111.7	A195 H228 T233 V234	A195-E230 HydrophobicContact CB-CB 3.97Å; H228-E230 VanDerWaalsContact C-N 3.33Å; H228-E230 PolarHBondContact O-N 2.95Å; E230-T233 WeakPolarHBondContact O-CB 3.34Å; E230-T233 PolarHBondContact O-N 3.26Å; E230-V234 WeakPolarHBondContact O-CG2 3.17Å; E230-V234 PolarHBondContact O-N 2.49Å
231	C	98.1	Very high	95.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-45.4	176.8	-71.8	0	0	0	0	111.8	G193 A195 L198 A223 H228 L229 T233 V234 L235	G193-C231 VanDerWaalsContact CA-SG 3.58Å; A195-C231 PolarHBondContact N-SG 2.94Å; A195-C231 VanDerWaalsContact N-SG 3.44Å; L198-C231 HydrophobicContact CD1-CB 3.58Å; A223-C231 HydrophobicContact CB-CB 3.88Å; H228-C231 HydrophobicContact CB-CB 3.93Å; H228-C231 PolarHBondContact O-N 3.18Å; L229-C231 VanDerWaalsContact C-N 3.35Å; L229-C231 PolarHBondContact O-N 3.07Å; C231-T233 VanDerWaalsContact C-N 3.27Å; C231-T233 PolarHBondContact O-N 3.34Å; C231-V234 PolarHBondContact O-N 2.8Å; C231-L235 VanDerWaalsContact O-CG 3.3Å; C231-L235 WeakPolarHBondContact O-CG 3.4Å; C231-L235 PolarHBondContact O-N 2.93Å
232	A	97.8	Very high	95.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-40.9	175.5	0	0	0	0	0	111.3	L220 H228 L229 L235 I236 L267 F270	L220-A232 HydrophobicContact CD1-CB 3.78Å; H228-A232 PolarHBondContact O-N 3.11Å; L229-A232 PolarHBondContact O-N 3.13Å; A232-L235 PolarHBondContact O-N 2.89Å; A232-I236 WeakPolarHBondContact O-CB 3.43Å; A232-I236 WeakPolarHBondContact O-CD1 3.35Å; A232-I236 WeakPolarHBondContact O-CG1 3.33Å; A232-I236 PolarHBondContact O-N 3.44Å; A232-L267 HydrophobicContact CB-CD1 3.58Å; A232-F270 HydrophobicContact CB-CE1 4.48Å
233	T	97.7	Very high	95.1	Very high	30 Å²	30	43.2 Å²	43.2	18%	0.184	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-49.3	177	-58.1	0	0	0	0	111.2	L229 E230 C231 L235 I236 Q237 F270	L229-T233 WeakPolarHBondContact O-CB 3.25Å; L229-T233 PolarHBondContact O-N 3.04Å; L229-T233 PolarHBondContact O-OG1 2.92Å; E230-T233 WeakPolarHBondContact O-CB 3.34Å; E230-T233 PolarHBondContact O-N 3.26Å; C231-T233 VanDerWaalsContact C-N 3.27Å; C231-T233 PolarHBondContact O-N 3.34Å; T233-L235 PolarHBondContact O-N 3.16Å; T233-I236 PolarHBondContact O-N 2.84Å; T233-Q237 HydrophobicContact CG2-CG 4.17Å; T233-Q237 VanDerWaalsContact O-CB 3.27Å; T233-Q237 WeakPolarHBondContact O-CB 3.39Å; T233-Q237 VanDerWaalsContact O-CG 3.27Å; T233-Q237 WeakPolarHBondContact O-CG 3.43Å; T233-Q237 PolarHBondContact O-N 2.97Å; T233-F270 HydrophobicContact CG2-CZ 4.42Å
234	V	96.9	Very high	95	Very high	22 Å²	22	43.5 Å²	43.5	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-48	177.8	169.8	0	0	0	0	111.2	A195 L198 L202 E230 C231 I236 R238	A195-V234 HydrophobicContact CB-CG2 4.39Å; L198-V234 HydrophobicContact CB-CG1 4.05Å; L202-V234 HydrophobicContact CD1-CG1 4.05Å; E230-V234 WeakPolarHBondContact O-CG2 3.17Å; E230-V234 PolarHBondContact O-N 2.49Å; C231-V234 PolarHBondContact O-N 2.8Å; V234-I236 PolarHBondContact O-N 3.49Å; V234-R238 HydrophobicContact CG1-CG 4.24Å; V234-R238 VanDerWaalsContact O-CB 3.25Å; V234-R238 WeakPolarHBondContact O-CB 3.49Å; V234-R238 WeakPolarHBondContact O-CG 3.4Å; V234-R238 PolarHBondContact O-N 2.87Å
235	L	96.9	Very high	94.8	Very high	7 Å²	7	47 Å²	47	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-44.5	-178.4	-70.6	166	0	0	0	112	L186 A190 L198 L202 V209 A219 L220 A223 C231 A232 T233 C239	L186-L235 HydrophobicContact CD2-CD2 4.3Å; A190-L235 HydrophobicContact CB-CD1 4.29Å; L198-L235 HydrophobicContact CD1-CD1 4.29Å; L198-L235 HydrophobicContact CD1-CD2 4.42Å; L198-L235 HydrophobicContact CD1-CG 4.08Å; L202-L235 HydrophobicContact CD1-CD2 4.5Å; V209-L235 HydrophobicContact CG2-CD2 3.79Å; A219-L235 HydrophobicContact CB-CD1 4.01Å; A219-L235 HydrophobicContact CB-CD2 4.09Å; L220-L235 HydrophobicContact CB-CD1 4.22Å; L220-L235 HydrophobicContact CD1-CD1 4.38Å; A223-L235 HydrophobicContact CB-CD1 4.39Å; C231-L235 VanDerWaalsContact O-CG 3.3Å; C231-L235 WeakPolarHBondContact O-CG 3.4Å; C231-L235 PolarHBondContact O-N 2.93Å; A232-L235 PolarHBondContact O-N 2.89Å; T233-L235 PolarHBondContact O-N 3.16Å; L235-C239 VanDerWaalsContact O-CB 3.3Å; L235-C239 WeakPolarHBondContact O-CB 3.14Å; L235-C239 PolarHBondContact O-N 2.76Å; L235-C239 VanDerWaalsContact O-N 3.13Å
236	I	96.2	Very high	94.8	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-44.1	-179.3	-71.1	157.6	0	0	0	111.3	L220 A232 T233 V234 G240 F241 L244 F270 L271 Q274	L220-I236 HydrophobicContact CD1-CD1 4.05Å; L220-I236 HydrophobicContact CD1-CG1 4.32Å; L220-I236 HydrophobicContact CD2-CD1 4.18Å; L220-I236 HydrophobicContact CD2-CG1 4.08Å; A232-I236 WeakPolarHBondContact O-CB 3.43Å; A232-I236 WeakPolarHBondContact O-CD1 3.35Å; A232-I236 WeakPolarHBondContact O-CG1 3.33Å; A232-I236 PolarHBondContact O-N 3.44Å; T233-I236 PolarHBondContact O-N 2.84Å; V234-I236 PolarHBondContact O-N 3.49Å; I236-G240 WeakPolarHBondContact O-CA 3.15Å; I236-G240 PolarHBondContact O-N 3.4Å; I236-F241 HydrophobicContact CG2-CD1 3.82Å; I236-F241 HydrophobicContact CG2-CE1 3.64Å; I236-L244 HydrophobicContact CD1-CD2 3.95Å; I236-L244 HydrophobicContact CD1-CG 4.48Å; I236-F270 HydrophobicContact CD1-CE1 3.67Å; I236-F270 HydrophobicContact CD1-CZ 4.25Å; I236-L271 HydrophobicContact CD1-CD2 4.15Å; I236-Q274 HydrophobicContact CD1-CG 4.31Å
237	Q	93.8	Very high	94.9	Very high	149 Å²	149	51.1 Å²	51.1	70%	0.696	26%	0.258	S	S	*	.	H	α-helix	trans	-68.3	-37.5	-178	-73.5	-179.5	-13	0	0	113	T233	T233-Q237 HydrophobicContact CG2-CG 4.17Å; T233-Q237 VanDerWaalsContact O-CB 3.27Å; T233-Q237 WeakPolarHBondContact O-CB 3.39Å; T233-Q237 VanDerWaalsContact O-CG 3.27Å; T233-Q237 WeakPolarHBondContact O-CG 3.43Å; T233-Q237 PolarHBondContact O-N 2.97Å
238	R	91.1	Very high	94.6	Very high	152 Å²	152	50.7 Å²	50.7	57%	0.574	25%	0.252	S	S	*	.	H	α-helix	trans	-85.6	-28	-176.7	-67.6	-72.7	-153.6	150.1	12.1	113.1	L202 E203 V234	L202-R238 HydrophobicContact CD1-CB 4.33Å; E203-R238 IonicContact OE1-NH2 3.69Å; V234-R238 HydrophobicContact CG1-CG 4.24Å; V234-R238 VanDerWaalsContact O-CB 3.25Å; V234-R238 WeakPolarHBondContact O-CB 3.49Å; V234-R238 WeakPolarHBondContact O-CG 3.4Å; V234-R238 PolarHBondContact O-N 2.87Å
239	C	88.7	Confident	94.1	Very high	24 Å²	24	52.3 Å²	52.3	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-129.6	-1.1	-165.8	-57.8	0	0	0	0	114.9	V209 H210 L235	V209-C239 HydrophobicContact CB-CB 4.08Å; V209-C239 HydrophobicContact CG1-CB 3.51Å; V209-C239 HydrophobicContact CG2-CB 3.64Å; H210-C239 PolarHBondContact CE1-O 3.14Å; H210-C239 PolarHBondContact NE2-O 3.27Å; H210-C239 VanDerWaalsContact NE2-O 3.11Å; L235-C239 VanDerWaalsContact O-CB 3.3Å; L235-C239 WeakPolarHBondContact O-CB 3.14Å; L235-C239 PolarHBondContact O-N 2.76Å; L235-C239 VanDerWaalsContact O-N 3.13Å
240	G	91.1	Very high	93.4	Very high	27 Å²	27	50.8 Å²	50.8	28%	0.278	25%	0.253	S	S	.	.			trans	89.7	-164.4	174.3	0	0	0	0	0	114.5	I236	I236-G240 WeakPolarHBondContact O-CA 3.15Å; I236-G240 PolarHBondContact O-N 3.4Å
241	F	94	Very high	93	Very high	92 Å²	92	44 Å²	44	40%	0.404	22%	0.222	S	C	.	.	S	Bend	trans	-104.3	-6.7	-161.7	-55.7	-67	0	0	0	114.3	I236 S243 L244 P275	I236-F241 HydrophobicContact CG2-CD1 3.82Å; I236-F241 HydrophobicContact CG2-CE1 3.64Å; F241-S243 PolarHBondContact O-N 2.76Å; F241-S243 VanDerWaalsContact O-N 3.13Å; F241-L244 HydrophobicContact CB-CD1 3.98Å; F241-L244 HydrophobicContact CD1-CD1 3.72Å; F241-L244 HydrophobicContact CG-CD1 4.32Å; F241-L244 VanDerWaalsContact O-CB 3.23Å; F241-L244 WeakPolarHBondContact O-CB 3.35Å; F241-L244 PolarHBondContact O-N 3.19Å; F241-P275 HydrophobicContact CD1-CG 4.43Å; F241-P275 HydrophobicContact CE1-CG 4.08Å; F241-P275 HydrophobicContact CE2-CG 4.19Å; F241-P275 HydrophobicContact CZ-CG 3.95Å
242	D	93.1	Very high	92.7	Very high	105 Å²	105	44 Å²	44	56%	0.561	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-57	-36.8	-170	-67.9	5.7	0	0	0	113.2	L244	D242-L244 PolarHBondContact O-N 2.93Å
243	S	94.6	Very high	92.6	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.035	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-67.1	-20.1	178	-72.1	0	0	0	0	113.9	H210 F241 V245 P254	H210-S243 PolarHBondContact ND1-OG 3.33Å; F241-S243 PolarHBondContact O-N 2.76Å; F241-S243 VanDerWaalsContact O-N 3.13Å; S243-V245 VanDerWaalsContact C-N 3.28Å; S243-V245 PolarHBondContact O-N 3.42Å; S243-P254 WeakPolarHBondContact O-CD 3.4Å; S243-P254 WeakPolarHBondContact O-CG 3.35Å
244	L	94.9	Very high	92.6	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-68.2	-24.1	-174.8	-74.6	168.6	0	0	0	114.1	L220 I236 F241 D242 P254 L271 Q274 V277	L220-L244 HydrophobicContact CD2-CD2 3.89Å; L220-L244 HydrophobicContact CD2-CG 4.14Å; I236-L244 HydrophobicContact CD1-CD2 3.95Å; I236-L244 HydrophobicContact CD1-CG 4.48Å; F241-L244 HydrophobicContact CB-CD1 3.98Å; F241-L244 HydrophobicContact CD1-CD1 3.72Å; F241-L244 HydrophobicContact CG-CD1 4.32Å; F241-L244 VanDerWaalsContact O-CB 3.23Å; F241-L244 WeakPolarHBondContact O-CB 3.35Å; F241-L244 PolarHBondContact O-N 3.19Å; D242-L244 PolarHBondContact O-N 2.93Å; L244-P254 WeakPolarHBondContact O-CD 3.45Å; L244-L271 HydrophobicContact CD2-CD2 3.66Å; L244-Q274 HydrophobicContact CD1-CB 3.53Å; L244-Q274 HydrophobicContact CD1-CG 4.13Å; L244-V277 HydrophobicContact CB-CG2 4.14Å; L244-V277 HydrophobicContact CD1-CG2 4.08Å; L244-V277 HydrophobicContact CD2-CG2 3.97Å; L244-V277 HydrophobicContact CG-CG2 4.32Å
245	V	92.9	Very high	92.6	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.455	21%	0.209	S	C	.	.	S	Bend	trans	-113.9	-1.8	-176.8	-60.8	0	0	0	0	113.1	S243	S243-V245 VanDerWaalsContact C-N 3.28Å; S243-V245 PolarHBondContact O-N 3.42Å
246	K	93.4	Very high	92.5	Very high	68 Å²	68	41.8 Å²	41.8	30%	0.296	21%	0.208	S	C	.	.			trans	-69.9	138.6	173.1	-73.9	-170.7	177.8	-160.6	0	109.6	H210 T218 H221 T253	H210-K246 PolarHBondContact O-NZ 2.99Å; T218-K246 HydrophobicContact CG2-CD 4.02Å; H221-K246 PolarHBondContact CE1-O 3.42Å; H221-K246 PolarHBondContact NE2-O 3.19Å; K246-T253 WeakPolarHBondContact O-CA 3.36Å
247	E	92.2	Very high	92.4	Very high	50 Å²	50	41.5 Å²	41.5	23%	0.234	21%	0.206	C	C	.	.			trans	-101.2	141.6	172.1	-67.3	177.8	-104.1	0	0	110.2	Q212 E252 T253 F281 G283 Q284	Q212-E247 PolarHBondContact NE2-O 3.13Å; Q212-E247 VanDerWaalsContact NE2-O 3.11Å; E247-E252 WeakPolarHBondContact CA-O 3.41Å; E247-T253 HydrophobicContact CG-CG2 3.99Å; E247-F281 HydrophobicContact CG-CE1 4.05Å; E247-F281 HydrophobicContact CG-CZ 4.4Å; E247-G283 WeakPolarHBondContact OE2-CA 3.29Å; E247-Q284 PolarHBondContact OE2-N 2.87Å
248	N	89.3	Confident	92.5	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.174	C	C	.	.			trans	-85.8	-177.2	168.6	74	10.5	0	0	0	111.6	H215 G216 D217 Y225 F250 S251 E252	H215-N248 WeakPolarHBondContact O-CB 3.36Å; G216-N248 WeakPolarHBondContact O-CA 3.41Å; G216-N248 WeakPolarHBondContact O-CB 3.47Å; D217-N248 WeakPolarHBondContact OD1-CB 3.45Å; D217-N248 PolarHBondContact OD1-ND2 3.17Å; Y225-N248 PolarHBondContact OH-ND2 3.49Å; N248-F250 PolarHBondContact O-N 3.34Å; N248-F250 VanDerWaalsContact O-N 3.09Å; N248-F250 WeakPolarHBondContact OD1-CA 3.39Å; N248-F250 WeakPolarHBondContact OD1-CB 3.33Å; N248-F250 PolarHBondContact OD1-N 2.84Å; N248-S251 PolarHBondContact O-N 3.47Å; N248-S251 PolarHBondContact OD1-N 2.91Å; N248-E252 PolarHBondContact N-O 3.43Å; N248-E252 WeakPolarHBondContact OD1-CB 3.42Å; N248-E252 PolarHBondContact OD1-N 2.61Å
249	I	86.9	Confident	92.7	Very high	87 Å²	87	27.2 Å²	27.2	45%	0.446	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.9	-178.9	69.6	175.1	0	0	0	113.7	N3 H215 S251	N3-I249 PolarHBondContact ND2-O 3.26Å; H215-I249 HydrophobicContact CB-CD1 4.36Å; H215-I249 VanDerWaalsContact O-CG1 3.31Å; H215-I249 WeakPolarHBondContact O-CG1 3.47Å; H215-I249 WeakPolarHBondContact O-CG2 3.4Å; H215-I249 PolarHBondContact O-N 3.13Å; I249-S251 VanDerWaalsContact C-N 3.3Å
250	F	84.1	Confident	92.7	Very high	13 Å²	13	26.5 Å²	26.5	6%	0.057	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	8	175.8	-50.4	-71.1	0	0	0	112.3	N3 R7 H215 N248 E252 H287	N3-F250 HydrophobicContact CB-CD1 4.36Å; N3-F250 WeakPolarHBondContact O-CD1 3.46Å; R7-F250 HydrophobicContact CB-CD1 4.24Å; R7-F250 HydrophobicContact CB-CE1 3.93Å; R7-F250 HydrophobicContact CB-CZ 4.28Å; R7-F250 HydrophobicContact CG-CD1 4.38Å; R7-F250 HydrophobicContact CG-CD2 4.46Å; R7-F250 HydrophobicContact CG-CE1 4.01Å; R7-F250 HydrophobicContact CG-CE2 4.1Å; R7-F250 HydrophobicContact CG-CZ 3.86Å; H215-F250 HydrophobicContact CB-CE2 4.38Å; N248-F250 PolarHBondContact O-N 3.34Å; N248-F250 VanDerWaalsContact O-N 3.09Å; N248-F250 WeakPolarHBondContact OD1-CA 3.39Å; N248-F250 WeakPolarHBondContact OD1-CB 3.33Å; N248-F250 PolarHBondContact OD1-N 2.84Å; F250-E252 HydrophobicContact CB-CG 4.1Å; F250-E252 PolarHBondContact O-N 3.18Å; F250-H287 PolarHBondContact O-CE1 2.92Å
251	S	88.9	Confident	92.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.141	C	C	.	.	S	Bend	trans	63.4	27.5	-175.8	-49.8	0	0	0	0	113	N248 I249 G283 Q284 H287	N248-S251 PolarHBondContact O-N 3.47Å; N248-S251 PolarHBondContact OD1-N 2.91Å; I249-S251 VanDerWaalsContact C-N 3.3Å; S251-G283 WeakPolarHBondContact O-CA 3.47Å; S251-Q284 WeakPolarHBondContact OG-CB 3.48Å; S251-H287 PolarHBondContact O-CE1 3.36Å
252	E	92	Very high	91.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.			trans	-103.1	129.1	-178.7	-64.9	-165.8	105.8	0	0	110.4	Y4 R7 H221 Y225 E247 N248 F250 H256 S260	Y4-E252 WeakPolarHBondContact CE2-OE1 3.18Å; R7-E252 IonicContact NH1-OE2 3.87Å; H221-E252 PolarHBondContact CD2-O 2.75Å; H221-E252 PolarHBondContact NE2-O 2.93Å; Y225-E252 WeakPolarHBondContact CE1-OE2 3.45Å; Y225-E252 PolarHBondContact OH-OE2 3.29Å; E247-E252 WeakPolarHBondContact CA-O 3.41Å; N248-E252 PolarHBondContact N-O 3.43Å; N248-E252 WeakPolarHBondContact OD1-CB 3.42Å; N248-E252 PolarHBondContact OD1-N 2.61Å; F250-E252 HydrophobicContact CB-CG 4.1Å; F250-E252 PolarHBondContact O-N 3.18Å; E252-H256 HydrophobicContact CB-CB 3.6Å; E252-H256 HydrophobicContact CG-CB 3.83Å; E252-S260 WeakPolarHBondContact OE1-CB 3.27Å; E252-S260 PolarHBondContact OE1-OG 2.86Å
253	T	96	Very high	91.5	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.037	14%	0.139	C	C	.	.			trans	-83.6	171.4	162.2	71.1	0	0	0	0	110.5	K246 E247 L255 H256 C257 F281	K246-T253 WeakPolarHBondContact O-CA 3.36Å; E247-T253 HydrophobicContact CG-CG2 3.99Å; T253-L255 PolarHBondContact O-N 2.86Å; T253-L255 VanDerWaalsContact O-N 3.13Å; T253-H256 PolarHBondContact N-ND1 3.38Å; T253-H256 WeakPolarHBondContact O-CA 3.48Å; T253-H256 WeakPolarHBondContact O-CB 3.34Å; T253-H256 PolarHBondContact O-N 3.28Å; T253-H256 PolarHBondContact OG1-ND1 2.88Å; T253-C257 PolarHBondContact O-N 2.94Å; T253-C257 PolarHBondContact O-SG 3.11Å; T253-F281 HydrophobicContact CG2-CD1 3.82Å; T253-F281 HydrophobicContact CG2-CE1 3.75Å; T253-F281 HydrophobicContact CG2-CG 4.42Å; T253-F281 HydrophobicContact CG2-CZ 4.29Å
254	P	96.9	Very high	91.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.8	-31.9	174.8	-30.9	38.9	0	0	0	114.8	L220 C224 S243 L244 C257 A258	L220-P254 HydrophobicContact CD2-CB 4.16Å; L220-P254 HydrophobicContact CD2-CG 3.88Å; L220-P254 HydrophobicContact CG-CB 3.98Å; L220-P254 HydrophobicContact CG-CG 3.93Å; C224-P254 HydrophobicContact CB-CB 4.43Å; C224-P254 VanDerWaalsContact CB-O 3.31Å; C224-P254 WeakPolarHBondContact CB-O 3.45Å; S243-P254 WeakPolarHBondContact O-CD 3.4Å; S243-P254 WeakPolarHBondContact O-CG 3.35Å; L244-P254 WeakPolarHBondContact O-CD 3.45Å; P254-C257 WeakPolarHBondContact O-CB 3.48Å; P254-C257 PolarHBondContact O-N 3.12Å; P254-A258 PolarHBondContact O-N 3.43Å
255	L	97.7	Very high	91.3	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-45	173.6	-178.4	66.3	0	0	0	111.6	T253 C257 A258 C259 V268 L271 L272 V277 A289	T253-L255 PolarHBondContact O-N 2.86Å; T253-L255 VanDerWaalsContact O-N 3.13Å; L255-C257 VanDerWaalsContact C-N 3.27Å; L255-C257 PolarHBondContact O-N 3.31Å; L255-A258 PolarHBondContact O-N 3.17Å; L255-C259 PolarHBondContact O-N 3.38Å; L255-C259 VanDerWaalsContact O-N 3.13Å; L255-C259 PolarHBondContact O-SG 3Å; L255-V268 HydrophobicContact CD1-CG1 3.97Å; L255-L271 HydrophobicContact CD1-CB 4.23Å; L255-L271 HydrophobicContact CD1-CD1 4.49Å; L255-L272 HydrophobicContact CD1-CD2 4Å; L255-L272 HydrophobicContact CD1-CG 4.13Å; L255-L272 HydrophobicContact CD2-CD2 3.72Å; L255-V277 HydrophobicContact CB-CG1 4.32Å; L255-V277 HydrophobicContact CD2-CG1 3.8Å; L255-V277 HydrophobicContact CG-CG1 4.48Å; L255-A289 HydrophobicContact CD2-CB 3.98Å; L255-A289 HydrophobicContact CG-CB 3.84Å
256	H	94.9	Very high	91.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-44.9	172.7	-66.1	84.1	0	0	0	110.4	E252 T253 A258 C259 S260 F281 H287 T288 A289	E252-H256 HydrophobicContact CB-CB 3.6Å; E252-H256 HydrophobicContact CG-CB 3.83Å; T253-H256 PolarHBondContact N-ND1 3.38Å; T253-H256 WeakPolarHBondContact O-CA 3.48Å; T253-H256 WeakPolarHBondContact O-CB 3.34Å; T253-H256 PolarHBondContact O-N 3.28Å; T253-H256 PolarHBondContact OG1-ND1 2.88Å; H256-A258 PolarHBondContact O-N 2.99Å; H256-C259 PolarHBondContact O-N 3.42Å; H256-S260 WeakPolarHBondContact O-CB 3.32Å; H256-S260 PolarHBondContact O-N 3.07Å; H256-S260 PolarHBondContact O-OG 3.18Å; H256-S260 VanDerWaalsContact O-OG 3.07Å; H256-F281 AromaticContact CE1-CD1 3.88Å; H256-F281 PolarHBondContact CE1-O 2.79Å; H256-F281 PolarHBondContact NE2-O 2.96Å; H256-H287 AromaticContact CD2-CD2 3.69Å; H256-H287 AromaticContact CD2-NE2 3.45Å; H256-H287 PolarHBondContact CD2-NE2 3.03Å; H256-H287 PolarHBondContact NE2-O 3.02Å; H256-T288 VanDerWaalsContact NE2-CA 3.31Å; H256-T288 WeakPolarHBondContact NE2-CA 3.22Å; H256-A289 PolarHBondContact CD2-N 2.99Å; H256-A289 VanDerWaalsContact CD2-N 3.35Å; H256-A289 PolarHBondContact NE2-N 3.13Å
257	C	94.3	Very high	91.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-42.4	-179.9	-61.3	0	0	0	0	112.8	H221 C224 Y225 T253 P254 L255 S260 G261	H221-C257 VanDerWaalsContact CD2-SG 3.52Å; C224-C257 HydrophobicContact CB-CB 3.84Å; Y225-C257 HydrophobicContact CD1-CB 3.59Å; Y225-C257 VanDerWaalsContact CD1-O 3.27Å; Y225-C257 WeakPolarHBondContact CD1-O 3.26Å; Y225-C257 HydrophobicContact CD2-CB 4.14Å; Y225-C257 HydrophobicContact CE1-CB 3.44Å; Y225-C257 VanDerWaalsContact CE1-CB 3.44Å; Y225-C257 VanDerWaalsContact CE1-SG 3.54Å; Y225-C257 HydrophobicContact CE2-CB 4.06Å; Y225-C257 VanDerWaalsContact CE2-SG 3.59Å; Y225-C257 HydrophobicContact CG-CB 3.93Å; T253-C257 PolarHBondContact O-N 2.94Å; T253-C257 PolarHBondContact O-SG 3.11Å; P254-C257 WeakPolarHBondContact O-CB 3.48Å; P254-C257 PolarHBondContact O-N 3.12Å; L255-C257 VanDerWaalsContact C-N 3.27Å; L255-C257 PolarHBondContact O-N 3.31Å; C257-S260 PolarHBondContact O-N 3.04Å; C257-G261 PolarHBondContact O-N 3.24Å
258	A	96.1	Very high	92	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-42	176	0	0	0	0	0	111.9	C224 P254 L255 H256 G262 L267 V268 L271	C224-A258 HydrophobicContact CB-CB 4.12Å; C224-A258 WeakPolarHBondContact O-CA 3.17Å; P254-A258 PolarHBondContact O-N 3.43Å; L255-A258 PolarHBondContact O-N 3.17Å; H256-A258 PolarHBondContact O-N 2.99Å; A258-G262 PolarHBondContact O-N 3.21Å; A258-L267 HydrophobicContact CB-CD2 3.86Å; A258-L267 HydrophobicContact CB-CG 4.22Å; A258-V268 HydrophobicContact CB-CG2 3.8Å; A258-L271 HydrophobicContact CB-CD1 3.73Å
259	C	94.2	Very high	92.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-34.4	176.3	-66.6	0	0	0	0	113.2	L255 H256 A289 A293	L255-C259 PolarHBondContact O-N 3.38Å; L255-C259 VanDerWaalsContact O-N 3.13Å; L255-C259 PolarHBondContact O-SG 3Å; H256-C259 PolarHBondContact O-N 3.42Å; C259-A289 HydrophobicContact CB-CB 4.42Å; C259-A289 WeakPolarHBondContact CB-O 3.19Å; C259-A293 HydrophobicContact CB-CB 4.21Å
260	S	89.4	Confident	92.9	Very high	8 Å²	8	24.3 Å²	24.3	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-69.2	-38.3	175	-70.3	0	0	0	0	112.5	Y4 E252 H256 C257 S292 N296	Y4-S260 WeakPolarHBondContact OH-CB 3.49Å; Y4-S260 PolarHBondContact OH-OG 3.48Å; E252-S260 WeakPolarHBondContact OE1-CB 3.27Å; E252-S260 PolarHBondContact OE1-OG 2.86Å; H256-S260 WeakPolarHBondContact O-CB 3.32Å; H256-S260 PolarHBondContact O-N 3.07Å; H256-S260 PolarHBondContact O-OG 3.18Å; H256-S260 VanDerWaalsContact O-OG 3.07Å; C257-S260 PolarHBondContact O-N 3.04Å; S260-S292 VanDerWaalsContact OG-CB 3.29Å; S260-S292 WeakPolarHBondContact OG-CB 3.48Å; S260-S292 PolarHBondContact OG-OG 3.47Å; S260-N296 WeakPolarHBondContact CA-ND2 3.27Å; S260-N296 VanDerWaalsContact O-CG 3.3Å; S260-N296 PolarHBondContact O-ND2 3Å
261	G	81.8	Confident	93.5	Very high	26 Å²	26	23.8 Å²	23.8	27%	0.268	13%	0.132	S	C	.	.	H	α-helix	trans	-68.3	-41.4	173.5	0	0	0	0	0	111.8	C257 K263	C257-G261 PolarHBondContact O-N 3.24Å; G261-K263 WeakPolarHBondContact O-CG 3.35Å; G261-K263 PolarHBondContact O-N 2.98Å
262	G	84.9	Confident	93.9	Very high	29 Å²	29	25.4 Å²	25.4	30%	0.299	14%	0.141	S	C	.	.			trans	70	12.8	177	0	0	0	0	0	114.6	A258 C298	A258-G262 PolarHBondContact O-N 3.21Å; G262-C298 VanDerWaalsContact CA-SG 3.5Å
263	K	86	Confident	94.1	Very high	145 Å²	145	34.2 Å²	34.2	63%	0.63	17%	0.174	S	C	*	.			trans	-92.2	-22	-167.3	-69.1	175	-175.5	170.1	0	114.8	Y225 G226 G261	Y225-K263 PolarHBondContact O-NZ 3.1Å; G226-K263 WeakPolarHBondContact O-CD 3.41Å; G261-K263 WeakPolarHBondContact O-CG 3.35Å; G261-K263 PolarHBondContact O-N 2.98Å
264	S	92.6	Very high	94.2	Very high	22 Å²	22	35.5 Å²	35.5	15%	0.154	18%	0.18	C	C	.	.			trans	-149.4	109.1	-175.2	177.6	0	0	0	0	111.8	G227 E266 L267 V268	G227-S264 WeakPolarHBondContact O-CB 3.39Å; S264-E266 VanDerWaalsContact C-N 3.33Å; S264-L267 PolarHBondContact O-N 2.84Å; S264-L267 WeakPolarHBondContact OG-CB 3.31Å; S264-L267 PolarHBondContact OG-N 3.33Å; S264-L267 VanDerWaalsContact OG-N 3.08Å; S264-V268 PolarHBondContact O-N 3.23Å
265	L	93.7	Very high	94	Very high	69 Å²	69	39.2 Å²	39.2	36%	0.361	20%	0.204	S	C	.	.	H	α-helix	trans	-67.7	-36.3	172.1	-175.1	150	0	0	0	111.4	L267 V268 A269 D300 L301 F304	L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 2.85Å; L265-V268 PolarHBondContact O-N 2.92Å; L265-V268 VanDerWaalsContact O-N 3.12Å; L265-A269 PolarHBondContact O-N 3.08Å; L265-D300 HydrophobicContact CD1-CB 4.31Å; L265-L301 HydrophobicContact CB-CD2 3.93Å; L265-L301 HydrophobicContact CD1-CD2 4.27Å; L265-L301 HydrophobicContact CG-CD2 4.01Å; L265-F304 HydrophobicContact CD1-CB 3.97Å; L265-F304 HydrophobicContact CD1-CD2 4.48Å; L265-F304 HydrophobicContact CD1-CG 4.19Å; L265-F304 HydrophobicContact CD2-CD2 4.11Å; L265-F304 HydrophobicContact CD2-CE2 4.29Å; L265-F304 HydrophobicContact CD2-CG 4.36Å; L265-F304 HydrophobicContact CG-CB 4.49Å; L265-F304 HydrophobicContact CG-CD1 4.49Å; L265-F304 HydrophobicContact CG-CD2 4.47Å; L265-F304 HydrophobicContact CG-CG 4.23Å
266	E	96.8	Very high	93.5	Very high	135 Å²	135	42 Å²	42	63%	0.631	23%	0.234	S	C	*	.	H	α-helix	trans	-60.7	-38.4	176.4	-64	-177.5	-179.3	0	0	112.2	L229 S264 A269 F270	L229-E266 HydrophobicContact CD2-CB 4.07Å; S264-E266 VanDerWaalsContact C-N 3.33Å; E266-A269 PolarHBondContact O-N 2.98Å; E266-F270 VanDerWaalsContact O-CB 3.28Å; E266-F270 WeakPolarHBondContact O-CB 3.17Å; E266-F270 PolarHBondContact O-N 3.49Å
267	L	97.6	Very high	93.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-45.9	172.6	172.6	66.8	0	0	0	111.8	C224 L229 A232 A258 S264 L265 A269 F270 L271	C224-L267 HydrophobicContact CB-CD2 4.24Å; L229-L267 HydrophobicContact CB-CB 4.44Å; L229-L267 HydrophobicContact CD1-CD1 4.25Å; A232-L267 HydrophobicContact CB-CD1 3.58Å; A258-L267 HydrophobicContact CB-CD2 3.86Å; A258-L267 HydrophobicContact CB-CG 4.22Å; S264-L267 PolarHBondContact O-N 2.84Å; S264-L267 WeakPolarHBondContact OG-CB 3.31Å; S264-L267 PolarHBondContact OG-N 3.33Å; S264-L267 VanDerWaalsContact OG-N 3.08Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 2.85Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.4Å; L267-F270 HydrophobicContact CD1-CD1 4.4Å; L267-F270 WeakPolarHBondContact O-CB 3.39Å; L267-F270 PolarHBondContact O-N 3.04Å; L267-L271 HydrophobicContact CD1-CD1 4.11Å; L267-L271 HydrophobicContact CD1-CG 4.06Å; L267-L271 HydrophobicContact CG-CD1 4.06Å; L267-L271 HydrophobicContact CG-CG 4.42Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.47Å
268	V	97.7	Very high	93.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-45.3	177.5	177.1	0	0	0	0	110.3	L255 A258 S264 L265 F270 L271 L272 L301 F304 L305	L255-V268 HydrophobicContact CD1-CG1 3.97Å; A258-V268 HydrophobicContact CB-CG2 3.8Å; S264-V268 PolarHBondContact O-N 3.23Å; L265-V268 PolarHBondContact O-N 2.92Å; L265-V268 VanDerWaalsContact O-N 3.12Å; V268-F270 VanDerWaalsContact C-N 3.32Å; V268-F270 PolarHBondContact O-N 3.35Å; V268-L271 PolarHBondContact O-N 3.25Å; V268-L272 HydrophobicContact CG1-CD1 4.21Å; V268-L272 WeakPolarHBondContact O-CG 3.24Å; V268-L272 PolarHBondContact O-N 2.81Å; V268-L301 HydrophobicContact CB-CD2 4.2Å; V268-L301 HydrophobicContact CG2-CD1 4.44Å; V268-L301 HydrophobicContact CG2-CD2 3.82Å; V268-F304 HydrophobicContact CG1-CD1 4.21Å; V268-F304 HydrophobicContact CG1-CE1 4.03Å; V268-L305 HydrophobicContact CG1-CD2 4.13Å
269	A	97.4	Very high	93.3	Very high	18 Å²	18	48.4 Å²	48.4	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-37.7	175.3	0	0	0	0	0	112.7	L265 E266 L267 R273 F304	L265-A269 PolarHBondContact O-N 3.08Å; E266-A269 PolarHBondContact O-N 2.98Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.4Å; A269-R273 WeakPolarHBondContact O-CG 3.38Å; A269-R273 PolarHBondContact O-NE 3.41Å; A269-F304 HydrophobicContact CB-CE1 4.15Å; A269-F304 HydrophobicContact CB-CE2 4.38Å; A269-F304 HydrophobicContact CB-CZ 3.59Å
270	F	97.9	Very high	93.3	Very high	29 Å²	29	50.3 Å²	50.3	13%	0.127	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-45	174.5	170.5	-99.1	0	0	0	112.1	L229 A232 T233 I236 E266 L267 V268 R273 Q274	L229-F270 HydrophobicContact CD1-CB 3.62Å; L229-F270 HydrophobicContact CD1-CD1 3.81Å; L229-F270 HydrophobicContact CD1-CD2 4.23Å; L229-F270 HydrophobicContact CD1-CG 3.62Å; A232-F270 HydrophobicContact CB-CE1 4.48Å; T233-F270 HydrophobicContact CG2-CZ 4.42Å; I236-F270 HydrophobicContact CD1-CE1 3.67Å; I236-F270 HydrophobicContact CD1-CZ 4.25Å; E266-F270 VanDerWaalsContact O-CB 3.28Å; E266-F270 WeakPolarHBondContact O-CB 3.17Å; E266-F270 PolarHBondContact O-N 3.49Å; L267-F270 HydrophobicContact CD1-CD1 4.4Å; L267-F270 WeakPolarHBondContact O-CB 3.39Å; L267-F270 PolarHBondContact O-N 3.04Å; V268-F270 VanDerWaalsContact C-N 3.32Å; V268-F270 PolarHBondContact O-N 3.35Å; F270-R273 PolarHBondContact O-N 3.39Å; F270-Q274 VanDerWaalsContact CE2-NE2 3.32Å; F270-Q274 WeakPolarHBondContact O-CG 3.46Å; F270-Q274 PolarHBondContact O-NE2 2.98Å
271	L	97.5	Very high	93.5	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-44.3	178.8	-69.3	170.4	0	0	0	112	I236 L244 L255 A258 L267 V268 R273 Q274 V277	I236-L271 HydrophobicContact CD1-CD2 4.15Å; L244-L271 HydrophobicContact CD2-CD2 3.66Å; L255-L271 HydrophobicContact CD1-CB 4.23Å; L255-L271 HydrophobicContact CD1-CD1 4.49Å; A258-L271 HydrophobicContact CB-CD1 3.73Å; L267-L271 HydrophobicContact CD1-CD1 4.11Å; L267-L271 HydrophobicContact CD1-CG 4.06Å; L267-L271 HydrophobicContact CG-CD1 4.06Å; L267-L271 HydrophobicContact CG-CG 4.42Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.47Å; V268-L271 PolarHBondContact O-N 3.25Å; L271-R273 PolarHBondContact O-N 3.33Å; L271-R273 VanDerWaalsContact O-N 3.12Å; L271-Q274 WeakPolarHBondContact O-CB 3.45Å; L271-Q274 PolarHBondContact O-N 3.16Å; L271-V277 WeakPolarHBondContact O-CB 3.44Å; L271-V277 WeakPolarHBondContact O-CG2 3.42Å
272	L	97	Very high	93.8	Very high	35 Å²	35	55.6 Å²	55.6	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-18.9	178.6	-71.6	175.8	0	0	0	113.8	L255 V268 V277 I279 F304 L305 Q308	L255-L272 HydrophobicContact CD1-CD2 4Å; L255-L272 HydrophobicContact CD1-CG 4.13Å; L255-L272 HydrophobicContact CD2-CD2 3.72Å; V268-L272 HydrophobicContact CG1-CD1 4.21Å; V268-L272 WeakPolarHBondContact O-CG 3.24Å; V268-L272 PolarHBondContact O-N 2.81Å; L272-V277 HydrophobicContact CD2-CG1 4.19Å; L272-I279 HydrophobicContact CD1-CD1 4.16Å; L272-I279 HydrophobicContact CD2-CB 3.9Å; L272-I279 HydrophobicContact CD2-CD1 4.21Å; L272-I279 HydrophobicContact CD2-CG1 3.97Å; L272-F304 HydrophobicContact CD1-CE1 3.82Å; L272-F304 HydrophobicContact CD1-CZ 4.5Å; L272-L305 HydrophobicContact CD1-CD2 4.35Å; L272-Q308 HydrophobicContact CD1-CB 4.14Å; L272-Q308 HydrophobicContact CD1-CG 3.98Å
273	R	96.6	Very high	93.8	Very high	185 Å²	185	54.5 Å²	54.5	70%	0.698	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.6	174.4	-71.3	-178.4	-69.7	-152.6	1.1	113.6	A269 F270 L271	A269-R273 WeakPolarHBondContact O-CG 3.38Å; A269-R273 PolarHBondContact O-NE 3.41Å; F270-R273 PolarHBondContact O-N 3.39Å; L271-R273 PolarHBondContact O-N 3.33Å; L271-R273 VanDerWaalsContact O-N 3.12Å
274	Q	96.7	Very high	93.6	Very high	33 Å²	33	53.5 Å²	53.5	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	-80.8	147.3	-178.9	-55.5	-51.6	-51.4	0	0	111.6	I236 L244 F270 L271 G276 V277	I236-Q274 HydrophobicContact CD1-CG 4.31Å; L244-Q274 HydrophobicContact CD1-CB 3.53Å; L244-Q274 HydrophobicContact CD1-CG 4.13Å; F270-Q274 VanDerWaalsContact CE2-NE2 3.32Å; F270-Q274 WeakPolarHBondContact O-CG 3.46Å; F270-Q274 PolarHBondContact O-NE2 2.98Å; L271-Q274 WeakPolarHBondContact O-CB 3.45Å; L271-Q274 PolarHBondContact O-N 3.16Å; Q274-G276 PolarHBondContact O-N 2.95Å; Q274-V277 HydrophobicContact CB-CG2 4.07Å; Q274-V277 PolarHBondContact O-N 3.35Å
275	P	93.2	Very high	92.8	Very high	78 Å²	78	52.7 Å²	52.7	51%	0.506	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.6	174	-24.4	34.1	0	0	0	112.5	F241 V277	F241-P275 HydrophobicContact CD1-CG 4.43Å; F241-P275 HydrophobicContact CE1-CG 4.08Å; F241-P275 HydrophobicContact CE2-CG 4.19Å; F241-P275 HydrophobicContact CZ-CG 3.95Å; P275-V277 VanDerWaalsContact C-N 3.32Å; P275-V277 PolarHBondContact O-N 2.83Å
276	G	87.5	Confident	92.4	Very high	64 Å²	64	49.8 Å²	49.8	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-6.8	174	0	0	0	0	0	115.8	Q274 N278	Q274-G276 PolarHBondContact O-N 2.95Å; G276-N278 PolarHBondContact O-N 2.84Å
277	V	94.4	Very high	92	Very high	29 Å²	29	43.3 Å²	43.3	18%	0.176	23%	0.232	C	C	.	.			trans	-79.8	114.5	178.8	-179.4	0	0	0	0	110.4	L244 L255 L271 L272 Q274 P275	L244-V277 HydrophobicContact CB-CG2 4.14Å; L244-V277 HydrophobicContact CD1-CG2 4.08Å; L244-V277 HydrophobicContact CD2-CG2 3.97Å; L244-V277 HydrophobicContact CG-CG2 4.32Å; L255-V277 HydrophobicContact CB-CG1 4.32Å; L255-V277 HydrophobicContact CD2-CG1 3.8Å; L255-V277 HydrophobicContact CG-CG1 4.48Å; L271-V277 WeakPolarHBondContact O-CB 3.44Å; L271-V277 WeakPolarHBondContact O-CG2 3.42Å; L272-V277 HydrophobicContact CD2-CG1 4.19Å; Q274-V277 HydrophobicContact CB-CG2 4.07Å; Q274-V277 PolarHBondContact O-N 3.35Å; P275-V277 VanDerWaalsContact C-N 3.32Å; P275-V277 PolarHBondContact O-N 2.83Å
278	N	92.6	Very high	91.8	Very high	86 Å²	86	43.3 Å²	43.3	46%	0.46	23%	0.231	S	C	.	.			trans	-100.9	120.2	174.6	178	2.7	0	0	0	110.3	G276 N280 F281	G276-N278 PolarHBondContact O-N 2.84Å; N278-N280 PolarHBondContact O-N 2.83Å; N278-N280 PolarHBondContact OD1-N 2.92Å; N278-F281 HydrophobicContact CB-CB 4.21Å; N278-F281 VanDerWaalsContact O-CB 3.32Å; N278-F281 WeakPolarHBondContact O-CB 3.19Å; N278-F281 PolarHBondContact O-N 3.41Å; N278-F281 VanDerWaalsContact O-N 3.07Å
279	I	94.7	Very high	91.6	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.118	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.7	179	-165.3	166.9	0	0	0	113.3	L272 L305 Q308 A310	L272-I279 HydrophobicContact CD1-CD1 4.16Å; L272-I279 HydrophobicContact CD2-CB 3.9Å; L272-I279 HydrophobicContact CD2-CD1 4.21Å; L272-I279 HydrophobicContact CD2-CG1 3.97Å; I279-L305 HydrophobicContact CD1-CD2 3.9Å; I279-L305 WeakPolarHBondContact CD1-O 3.46Å; I279-L305 HydrophobicContact CG1-CD2 3.96Å; I279-Q308 HydrophobicContact CD1-CB 3.59Å; I279-A310 HydrophobicContact CD1-CB 3.86Å; I279-A310 HydrophobicContact CG1-CB 3.94Å
280	N	93.4	Very high	91.5	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.219	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	18.8	-179.9	-68	-37.8	0	0	0	112.3	N278 Q282 A310 D311 I314	N278-N280 PolarHBondContact O-N 2.83Å; N278-N280 PolarHBondContact OD1-N 2.92Å; N280-Q282 PolarHBondContact O-N 3.44Å; N280-A310 WeakPolarHBondContact OD1-CA 3.44Å; N280-D311 PolarHBondContact OD1-N 2.93Å; N280-I314 HydrophobicContact CB-CD1 3.73Å
281	F	93.1	Very high	91.2	Very high	58 Å²	58	41 Å²	41	25%	0.254	22%	0.218	S	C	.	.			trans	-56.6	128.2	174.1	-170.3	-81.5	0	0	0	109.7	E247 T253 H256 N278 T288	E247-F281 HydrophobicContact CG-CE1 4.05Å; E247-F281 HydrophobicContact CG-CZ 4.4Å; T253-F281 HydrophobicContact CG2-CD1 3.82Å; T253-F281 HydrophobicContact CG2-CE1 3.75Å; T253-F281 HydrophobicContact CG2-CG 4.42Å; T253-F281 HydrophobicContact CG2-CZ 4.29Å; H256-F281 AromaticContact CE1-CD1 3.88Å; H256-F281 PolarHBondContact CE1-O 2.79Å; H256-F281 PolarHBondContact NE2-O 2.96Å; N278-F281 HydrophobicContact CB-CB 4.21Å; N278-F281 VanDerWaalsContact O-CB 3.32Å; N278-F281 WeakPolarHBondContact O-CB 3.19Å; N278-F281 PolarHBondContact O-N 3.41Å; N278-F281 VanDerWaalsContact O-N 3.07Å; F281-T288 WeakPolarHBondContact O-CA 3.36Å
282	Q	89.7	Confident	90.8	Very high	87 Å²	87	41 Å²	41	41%	0.407	22%	0.218	S	C	.	.			trans	-101	117.9	175.2	-67.7	-172.6	-93.8	0	0	108.5	N280 G286 H287 T288 I314 S315	N280-Q282 PolarHBondContact O-N 3.44Å; Q282-G286 PolarHBondContact NE2-O 3.22Å; Q282-H287 WeakPolarHBondContact CA-O 3.34Å; Q282-T288 HydrophobicContact CG-CG2 3.86Å; Q282-I314 HydrophobicContact CG-CG2 3.87Å; Q282-I314 VanDerWaalsContact NE2-CG2 3.27Å; Q282-S315 PolarHBondContact NE2-O 3.39Å
283	G	84.5	Confident	90.5	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	21%	0.209	C	C	.	.			trans	-63	176.8	171.2	0	0	0	0	0	112.3	E247 S251 D285 G286 H287	E247-G283 WeakPolarHBondContact OE2-CA 3.29Å; S251-G283 WeakPolarHBondContact O-CA 3.47Å; G283-D285 PolarHBondContact O-N 2.92Å; G283-G286 WeakPolarHBondContact O-CA 3.43Å; G283-G286 PolarHBondContact O-N 2.94Å; G283-H287 PolarHBondContact N-O 3.36Å
284	Q	82.2	Confident	90.1	Very high	124 Å²	124	30.5 Å²	30.5	58%	0.579	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-26	179.5	-59.8	170.3	16.6	0	0	115.4	E247 S251	E247-Q284 PolarHBondContact OE2-N 2.87Å; S251-Q284 WeakPolarHBondContact OG-CB 3.48Å
285	D	75.3	Confident	89.6	Confident	5 Å²	5	30.5 Å²	30.5	3%	0.027	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.6	173.3	80.7	-17.1	0	0	0	113.8	G283 H287 Y317	G283-D285 PolarHBondContact O-N 2.92Å; D285-H287 PolarHBondContact O-N 2.91Å; D285-H287 IonicContact OD1-CE1 3.85Å; D285-H287 IonicContact OD1-CG 2.73Å; D285-H287 PolarHBondContact OD1-N 3.1Å; D285-H287 IonicContact OD1-ND1 3.47Å; D285-H287 PolarHBondContact OD1-ND1 3.45Å; D285-H287 IonicContact OD2-ND1 2.73Å; D285-Y317 CarbonylContact O-C 3.42Å; D285-Y317 PolarHBondContact O-N 3.2Å
286	G	84.4	Confident	89	Confident	7 Å²	7	29.3 Å²	29.3	7%	0.072	16%	0.164	C	C	.	.	S	Bend	trans	84	-3.5	174.2	0	0	0	0	0	115.8	Q282 G283	Q282-G286 PolarHBondContact NE2-O 3.22Å; G283-G286 WeakPolarHBondContact O-CA 3.43Å; G283-G286 PolarHBondContact O-N 2.94Å
287	H	88.3	Confident	88.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.			trans	-75.9	154.9	180	85.7	-76	0	0	0	112.2	F250 S251 H256 Q282 G283 D285 H291 S292 A316 W359	F250-H287 PolarHBondContact O-CE1 2.92Å; S251-H287 PolarHBondContact O-CE1 3.36Å; H256-H287 AromaticContact CD2-CD2 3.69Å; H256-H287 AromaticContact CD2-NE2 3.45Å; H256-H287 PolarHBondContact CD2-NE2 3.03Å; H256-H287 PolarHBondContact NE2-O 3.02Å; Q282-H287 WeakPolarHBondContact CA-O 3.34Å; G283-H287 PolarHBondContact N-O 3.36Å; D285-H287 PolarHBondContact O-N 2.91Å; D285-H287 IonicContact OD1-CE1 3.85Å; D285-H287 IonicContact OD1-CG 2.73Å; D285-H287 PolarHBondContact OD1-N 3.1Å; D285-H287 IonicContact OD1-ND1 3.47Å; D285-H287 PolarHBondContact OD1-ND1 3.45Å; D285-H287 IonicContact OD2-ND1 2.73Å; H287-H291 HydrophobicContact CB-CB 3.98Å; H287-S292 PolarHBondContact CD2-OG 3.25Å; H287-A316 HydrophobicContact CB-CB 3.96Å; H287-W359 HydrophobicContact CB-CH2 3.55Å; H287-W359 HydrophobicContact CB-CZ2 3.82Å; H287-W359 HydrophobicContact CB-CZ3 4.26Å; H287-W359 AromaticContact CG-CH2 3.79Å
288	T	93.5	Very high	88.4	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-115.8	170	179.2	67.7	0	0	0	0	111	H256 F281 Q282 L290 H291 S292 I314	H256-T288 VanDerWaalsContact NE2-CA 3.31Å; H256-T288 WeakPolarHBondContact NE2-CA 3.22Å; F281-T288 WeakPolarHBondContact O-CA 3.36Å; Q282-T288 HydrophobicContact CG-CG2 3.86Å; T288-L290 PolarHBondContact O-N 3.31Å; T288-L290 PolarHBondContact OG1-N 3.04Å; T288-H291 PolarHBondContact N-ND1 2.82Å; T288-H291 WeakPolarHBondContact O-CA 3.49Å; T288-H291 VanDerWaalsContact O-CB 3.26Å; T288-H291 WeakPolarHBondContact O-CB 3.38Å; T288-H291 PolarHBondContact O-N 2.82Å; T288-H291 PolarHBondContact OG1-ND1 2.91Å; T288-S292 PolarHBondContact O-N 2.99Å; T288-I314 HydrophobicContact CG2-CB 4.28Å; T288-I314 HydrophobicContact CG2-CD1 4.04Å; T288-I314 HydrophobicContact CG2-CG2 3.74Å
289	A	94.7	Very high	88.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-32.8	174.4	0	0	0	0	0	113	L255 H256 C259 S292 A293	L255-A289 HydrophobicContact CD2-CB 3.98Å; L255-A289 HydrophobicContact CG-CB 3.84Å; H256-A289 PolarHBondContact CD2-N 2.99Å; H256-A289 VanDerWaalsContact CD2-N 3.35Å; H256-A289 PolarHBondContact NE2-N 3.13Å; C259-A289 HydrophobicContact CB-CB 4.42Å; C259-A289 WeakPolarHBondContact CB-O 3.19Å; A289-S292 WeakPolarHBondContact O-CB 3.46Å; A289-S292 PolarHBondContact O-N 2.9Å; A289-A293 PolarHBondContact O-N 3.5Å
290	L	94.4	Very high	87.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-37.6	174.1	-177.9	62.4	0	0	0	112.1	T288 A293 C294 V302 L305 L306 A310 P312 P356	T288-L290 PolarHBondContact O-N 3.31Å; T288-L290 PolarHBondContact OG1-N 3.04Å; L290-A293 PolarHBondContact O-N 3.18Å; L290-C294 WeakPolarHBondContact O-CB 3.43Å; L290-C294 PolarHBondContact O-N 3.3Å; L290-C294 PolarHBondContact O-SG 3.49Å; L290-V302 HydrophobicContact CD1-CB 4.44Å; L290-V302 HydrophobicContact CD1-CG1 4.07Å; L290-V302 HydrophobicContact CD1-CG2 4.4Å; L290-L305 HydrophobicContact CB-CD1 4.36Å; L290-L305 HydrophobicContact CD1-CB 4.15Å; L290-L305 HydrophobicContact CD1-CD1 4.24Å; L290-L306 HydrophobicContact CD1-CD2 4.43Å; L290-L306 HydrophobicContact CD1-CG 4.26Å; L290-L306 HydrophobicContact CD2-CD2 3.85Å; L290-A310 HydrophobicContact CB-CB 4.22Å; L290-A310 HydrophobicContact CD2-CB 4Å; L290-P312 HydrophobicContact CD2-CB 4.26Å; L290-P356 HydrophobicContact CD2-CB 4.22Å; L290-P356 HydrophobicContact CD2-CG 3.95Å; L290-P356 HydrophobicContact CG-CB 4.02Å; L290-P356 HydrophobicContact CG-CG 4.07Å
291	H	90.9	Very high	87.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-47.7	172.2	-69.4	85.7	0	0	0	110.6	H287 T288 A293 C294 Y295 I314 Q354 P356 W359	H287-H291 HydrophobicContact CB-CB 3.98Å; T288-H291 PolarHBondContact N-ND1 2.82Å; T288-H291 WeakPolarHBondContact O-CA 3.49Å; T288-H291 VanDerWaalsContact O-CB 3.26Å; T288-H291 WeakPolarHBondContact O-CB 3.38Å; T288-H291 PolarHBondContact O-N 2.82Å; T288-H291 PolarHBondContact OG1-ND1 2.91Å; H291-A293 PolarHBondContact O-N 3.46Å; H291-C294 PolarHBondContact O-N 2.95Å; H291-Y295 WeakPolarHBondContact O-CB 3.38Å; H291-Y295 PolarHBondContact O-N 2.92Å; H291-I314 PolarHBondContact CE1-O 3.3Å; H291-I314 PolarHBondContact NE2-O 3.44Å; H291-Q354 PolarHBondContact NE2-O 2.66Å; H291-P356 VanDerWaalsContact NE2-CD 3.29Å; H291-P356 WeakPolarHBondContact NE2-CD 3.46Å; H291-W359 HydrophobicContact CB-CD2 3.9Å; H291-W359 HydrophobicContact CB-CE3 3.65Å; H291-W359 HydrophobicContact CB-CG 4.49Å; H291-W359 HydrophobicContact CB-CH2 4.4Å; H291-W359 HydrophobicContact CB-CZ3 3.93Å; H291-W359 AromaticContact CD2-CD1 3.99Å; H291-W359 AromaticContact CD2-NE1 3.93Å
292	S	90.4	Very high	87.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-45.7	177.4	-64.3	0	0	0	0	112.6	S260 H287 T288 A289 Y295 N296	S260-S292 VanDerWaalsContact OG-CB 3.29Å; S260-S292 WeakPolarHBondContact OG-CB 3.48Å; S260-S292 PolarHBondContact OG-OG 3.47Å; H287-S292 PolarHBondContact CD2-OG 3.25Å; T288-S292 PolarHBondContact O-N 2.99Å; A289-S292 WeakPolarHBondContact O-CB 3.46Å; A289-S292 PolarHBondContact O-N 2.9Å; S292-Y295 PolarHBondContact O-N 2.99Å; S292-N296 PolarHBondContact O-N 2.89Å; S292-N296 VanDerWaalsContact O-N 3.1Å; S292-N296 PolarHBondContact O-ND2 3.43Å
293	A	91.4	Very high	87.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-43.1	176.4	0	0	0	0	0	112.1	C259 A289 L290 H291 N296 G297 C298 L301 V302 L305	C259-A293 HydrophobicContact CB-CB 4.21Å; A289-A293 PolarHBondContact O-N 3.5Å; L290-A293 PolarHBondContact O-N 3.18Å; H291-A293 PolarHBondContact O-N 3.46Å; A293-N296 PolarHBondContact O-N 3.14Å; A293-G297 PolarHBondContact O-N 3.04Å; A293-C298 PolarHBondContact O-N 3.41Å; A293-C298 VanDerWaalsContact O-N 3.11Å; A293-L301 HydrophobicContact CB-CB 4.12Å; A293-V302 HydrophobicContact CB-CG2 3.85Å; A293-L305 HydrophobicContact CB-CD1 3.84Å
294	C	87.5	Confident	88.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-44.7	177.6	-72.3	0	0	0	0	112.1	L290 H291 G297 V302 P356 W359 A360 F381 I384	L290-C294 WeakPolarHBondContact O-CB 3.43Å; L290-C294 PolarHBondContact O-N 3.3Å; L290-C294 PolarHBondContact O-SG 3.49Å; H291-C294 PolarHBondContact O-N 2.95Å; C294-G297 PolarHBondContact O-N 3.42Å; C294-V302 HydrophobicContact CB-CG2 4.5Å; C294-P356 HydrophobicContact CB-CB 4.37Å; C294-P356 WeakPolarHBondContact CB-O 3.19Å; C294-W359 HydrophobicContact CB-CB 4.49Å; C294-A360 HydrophobicContact CB-CB 4.14Å; C294-F381 WeakPolarHBondContact O-CE1 3.4Å; C294-I384 HydrophobicContact CB-CG2 4.48Å
295	Y	85.1	Confident	88.9	Confident	32 Å²	32	19.9 Å²	19.9	13%	0.125	11%	0.11	C	C	.	.	H	α-helix	trans	-67.2	-37.4	-179.6	-177.9	-86.3	0	0	0	112.7	M1 Y4 H291 S292 G297 W359 K363	M1-Y295 HydrophobicContact CE-CD2 4.01Å; M1-Y295 HydrophobicContact CE-CE2 4.14Å; M1-Y295 HydrophobicContact SD-CD2 4.4Å; M1-Y295 HydrophobicContact SD-CE2 3.96Å; Y4-Y295 AromaticContact CD1-CD1 3.92Å; Y4-Y295 HydrophobicContact CD1-CD1 3.92Å; Y4-Y295 AromaticContact CD1-CE1 3.75Å; Y4-Y295 HydrophobicContact CD1-CE1 3.75Å; Y4-Y295 HydrophobicContact CD1-CE2 4.49Å; Y4-Y295 HydrophobicContact CD1-CG 4.33Å; Y4-Y295 AromaticContact CE1-CD1 3.33Å; Y4-Y295 HydrophobicContact CE1-CD1 3.33Å; Y4-Y295 AromaticContact CE1-CE1 3.51Å; Y4-Y295 HydrophobicContact CE1-CE1 3.51Å; Y4-Y295 AromaticContact CE1-CG 3.92Å; Y4-Y295 HydrophobicContact CE1-CG 3.92Å; H291-Y295 WeakPolarHBondContact O-CB 3.38Å; H291-Y295 PolarHBondContact O-N 2.92Å; S292-Y295 PolarHBondContact O-N 2.99Å; Y295-G297 VanDerWaalsContact C-N 3.27Å; Y295-G297 PolarHBondContact O-N 3.4Å; Y295-W359 HydrophobicContact CD2-CD2 4.49Å; Y295-W359 HydrophobicContact CD2-CE3 4.14Å; Y295-W359 HydrophobicContact CG-CE3 4.15Å; Y295-K363 VanDerWaalsContact O-CB 3.25Å; Y295-K363 WeakPolarHBondContact O-CB 3.44Å; Y295-K363 WeakPolarHBondContact O-CG 3.46Å
296	N	80.9	Confident	89.7	Confident	53 Å²	53	20.3 Å²	20.3	28%	0.283	11%	0.112	S	C	.	.	H	α-helix	trans	-80.4	-9.3	179.8	-69.6	-73.2	0	0	0	113.5	Y4 S260 S292 A293	Y4-N296 PolarHBondContact OH-ND2 2.91Å; S260-N296 WeakPolarHBondContact CA-ND2 3.27Å; S260-N296 VanDerWaalsContact O-CG 3.3Å; S260-N296 PolarHBondContact O-ND2 3Å; S292-N296 PolarHBondContact O-N 2.89Å; S292-N296 VanDerWaalsContact O-N 3.1Å; S292-N296 PolarHBondContact O-ND2 3.43Å; A293-N296 PolarHBondContact O-N 3.14Å
297	G	83.6	Confident	90.1	Very high	19 Å²	19	24.3 Å²	24.3	20%	0.196	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	28.4	175.9	0	0	0	0	0	113.2	A293 C294 Y295 A299 F381 I384	A293-G297 PolarHBondContact O-N 3.04Å; C294-G297 PolarHBondContact O-N 3.42Å; Y295-G297 VanDerWaalsContact C-N 3.27Å; Y295-G297 PolarHBondContact O-N 3.4Å; G297-A299 PolarHBondContact O-N 3.38Å; G297-F381 VanDerWaalsContact CA-CE1 3.41Å; G297-I384 VanDerWaalsContact C-CD1 3.41Å; G297-I384 VanDerWaalsContact CA-CD1 3.45Å
298	C	85.6	Confident	90.3	Very high	25 Å²	25	29.6 Å²	29.6	17%	0.169	16%	0.157	C	C	.	.			trans	-90.5	80.9	-177.6	-59.6	0	0	0	0	110.4	G262 A293 D300 L301 V302	G262-C298 VanDerWaalsContact CA-SG 3.5Å; A293-C298 PolarHBondContact O-N 3.41Å; A293-C298 VanDerWaalsContact O-N 3.11Å; C298-D300 VanDerWaalsContact C-N 3.34Å; C298-D300 PolarHBondContact O-N 2.63Å; C298-L301 HydrophobicContact CB-CB 3.88Å; C298-L301 HydrophobicContact CB-CD1 3.92Å; C298-L301 HydrophobicContact CB-CG 4.1Å; C298-L301 PolarHBondContact O-N 3.27Å; C298-L301 VanDerWaalsContact O-N 3.13Å; C298-V302 WeakPolarHBondContact O-CG2 3.38Å; C298-V302 PolarHBondContact O-N 3.13Å
299	A	87.9	Confident	90.1	Very high	21 Å²	21	31.9 Å²	31.9	17%	0.174	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-45.8	-175.8	0	0	0	0	0	113.2	G297 L301 V302 E303 P383 I384	G297-A299 PolarHBondContact O-N 3.38Å; A299-L301 VanDerWaalsContact C-N 3.31Å; A299-L301 PolarHBondContact O-N 2.89Å; A299-V302 WeakPolarHBondContact O-CB 3.46Å; A299-V302 PolarHBondContact O-N 3.36Å; A299-V302 VanDerWaalsContact O-N 3.13Å; A299-E303 PolarHBondContact O-N 3.16Å; A299-P383 HydrophobicContact CB-CB 4.37Å; A299-I384 HydrophobicContact CB-CD1 4.36Å; A299-I384 HydrophobicContact CB-CG1 3.81Å
300	D	89.1	Confident	90	Very high	120 Å²	120	32.1 Å²	32.1	64%	0.642	18%	0.182	S	C	*	.	H	α-helix	trans	-61.1	-39.1	178.9	-55.5	-18.2	0	0	0	112.1	L265 C298 F304	L265-D300 HydrophobicContact CD1-CB 4.31Å; C298-D300 VanDerWaalsContact C-N 3.34Å; C298-D300 PolarHBondContact O-N 2.63Å; D300-F304 WeakPolarHBondContact O-CB 3.5Å; D300-F304 PolarHBondContact O-N 3.4Å
301	L	92.3	Very high	89.7	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-71	-37.4	175.5	-72.2	-176.1	0	0	0	112.1	L265 V268 A293 C298 A299 L305	L265-L301 HydrophobicContact CB-CD2 3.93Å; L265-L301 HydrophobicContact CD1-CD2 4.27Å; L265-L301 HydrophobicContact CG-CD2 4.01Å; V268-L301 HydrophobicContact CB-CD2 4.2Å; V268-L301 HydrophobicContact CG2-CD1 4.44Å; V268-L301 HydrophobicContact CG2-CD2 3.82Å; A293-L301 HydrophobicContact CB-CB 4.12Å; C298-L301 HydrophobicContact CB-CB 3.88Å; C298-L301 HydrophobicContact CB-CD1 3.92Å; C298-L301 HydrophobicContact CB-CG 4.1Å; C298-L301 PolarHBondContact O-N 3.27Å; C298-L301 VanDerWaalsContact O-N 3.13Å; A299-L301 VanDerWaalsContact C-N 3.31Å; A299-L301 PolarHBondContact O-N 2.89Å; L301-L305 VanDerWaalsContact O-CB 3.27Å; L301-L305 WeakPolarHBondContact O-CB 3.29Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.01Å
302	V	91.4	Very high	89.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-49.1	175.1	169.6	0	0	0	0	109.9	L290 A293 C294 C298 A299 L305 L306 I384 I387 L388	L290-V302 HydrophobicContact CD1-CB 4.44Å; L290-V302 HydrophobicContact CD1-CG1 4.07Å; L290-V302 HydrophobicContact CD1-CG2 4.4Å; A293-V302 HydrophobicContact CB-CG2 3.85Å; C294-V302 HydrophobicContact CB-CG2 4.5Å; C298-V302 WeakPolarHBondContact O-CG2 3.38Å; C298-V302 PolarHBondContact O-N 3.13Å; A299-V302 WeakPolarHBondContact O-CB 3.46Å; A299-V302 PolarHBondContact O-N 3.36Å; A299-V302 VanDerWaalsContact O-N 3.13Å; V302-L305 PolarHBondContact O-N 3.35Å; V302-L306 HydrophobicContact CG1-CD1 3.73Å; V302-L306 WeakPolarHBondContact O-CB 3.36Å; V302-L306 WeakPolarHBondContact O-CD1 3.37Å; V302-L306 WeakPolarHBondContact O-CG 3.43Å; V302-L306 PolarHBondContact O-N 2.93Å; V302-I384 HydrophobicContact CG1-CG2 4.27Å; V302-I384 HydrophobicContact CG2-CD1 4.34Å; V302-I384 HydrophobicContact CG2-CG1 4.29Å; V302-I384 HydrophobicContact CG2-CG2 4.16Å; V302-I387 HydrophobicContact CG1-CG2 4.19Å; V302-L388 HydrophobicContact CG1-CD2 4.4Å; V302-L388 HydrophobicContact CG1-CG 4.48Å
303	E	91.2	Very high	89.1	Confident	92 Å²	92	38.7 Å²	38.7	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-60	-48.7	177.5	-173	161.8	-143.6	0	0	111.2	A299 L305 L306 D307 I387	A299-E303 PolarHBondContact O-N 3.16Å; E303-L305 PolarHBondContact O-N 3.4Å; E303-L306 PolarHBondContact O-N 2.86Å; E303-D307 PolarHBondContact O-N 3.35Å; E303-I387 HydrophobicContact CB-CD1 4.32Å
304	F	94.4	Very high	88.7	Confident	37 Å²	37	39.9 Å²	39.9	16%	0.162	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-48	177.5	178.8	-100.5	0	0	0	112.8	L265 V268 A269 L272 D300 L306 D307 Q308	L265-F304 HydrophobicContact CD1-CB 3.97Å; L265-F304 HydrophobicContact CD1-CD2 4.48Å; L265-F304 HydrophobicContact CD1-CG 4.19Å; L265-F304 HydrophobicContact CD2-CD2 4.11Å; L265-F304 HydrophobicContact CD2-CE2 4.29Å; L265-F304 HydrophobicContact CD2-CG 4.36Å; L265-F304 HydrophobicContact CG-CB 4.49Å; L265-F304 HydrophobicContact CG-CD1 4.49Å; L265-F304 HydrophobicContact CG-CD2 4.47Å; L265-F304 HydrophobicContact CG-CG 4.23Å; V268-F304 HydrophobicContact CG1-CD1 4.21Å; V268-F304 HydrophobicContact CG1-CE1 4.03Å; A269-F304 HydrophobicContact CB-CE1 4.15Å; A269-F304 HydrophobicContact CB-CE2 4.38Å; A269-F304 HydrophobicContact CB-CZ 3.59Å; L272-F304 HydrophobicContact CD1-CE1 3.82Å; L272-F304 HydrophobicContact CD1-CZ 4.5Å; D300-F304 WeakPolarHBondContact O-CB 3.5Å; D300-F304 PolarHBondContact O-N 3.4Å; F304-L306 VanDerWaalsContact C-N 3.31Å; F304-L306 PolarHBondContact O-N 2.76Å; F304-D307 WeakPolarHBondContact O-CB 3.47Å; F304-D307 PolarHBondContact O-N 3.26Å; F304-Q308 HydrophobicContact CD1-CG 4.2Å; F304-Q308 HydrophobicContact CD2-CG 4.42Å; F304-Q308 HydrophobicContact CE1-CG 3.76Å; F304-Q308 HydrophobicContact CE2-CG 3.99Å; F304-Q308 HydrophobicContact CZ-CG 3.63Å; F304-Q308 WeakPolarHBondContact O-CG 3.35Å; F304-Q308 PolarHBondContact O-N 2.88Å
305	L	94.2	Very high	88.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-40.4	178.8	-74.8	170.3	0	0	0	111.6	V268 L272 I279 L290 A293 L301 V302 E303 Q308 G309 A310	V268-L305 HydrophobicContact CG1-CD2 4.13Å; L272-L305 HydrophobicContact CD1-CD2 4.35Å; I279-L305 HydrophobicContact CD1-CD2 3.9Å; I279-L305 WeakPolarHBondContact CD1-O 3.46Å; I279-L305 HydrophobicContact CG1-CD2 3.96Å; L290-L305 HydrophobicContact CB-CD1 4.36Å; L290-L305 HydrophobicContact CD1-CB 4.15Å; L290-L305 HydrophobicContact CD1-CD1 4.24Å; A293-L305 HydrophobicContact CB-CD1 3.84Å; L301-L305 VanDerWaalsContact O-CB 3.27Å; L301-L305 WeakPolarHBondContact O-CB 3.29Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.01Å; V302-L305 PolarHBondContact O-N 3.35Å; E303-L305 PolarHBondContact O-N 3.4Å; L305-Q308 CarbonylContact O-C 3.54Å; L305-Q308 PolarHBondContact O-N 2.91Å; L305-G309 PolarHBondContact O-N 2.94Å; L305-G309 VanDerWaalsContact O-N 3.17Å; L305-A310 HydrophobicContact CB-CB 3.95Å; L305-A310 WeakPolarHBondContact O-CB 3.13Å; L305-A310 PolarHBondContact O-N 2.92Å
306	L	92.2	Very high	88	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-37.6	176.3	-67.8	165.2	0	0	0	111.8	L290 V302 E303 F304 Q308 G309 P312 I387 L388 R391	L290-L306 HydrophobicContact CD1-CD2 4.43Å; L290-L306 HydrophobicContact CD1-CG 4.26Å; L290-L306 HydrophobicContact CD2-CD2 3.85Å; V302-L306 HydrophobicContact CG1-CD1 3.73Å; V302-L306 WeakPolarHBondContact O-CB 3.36Å; V302-L306 WeakPolarHBondContact O-CD1 3.37Å; V302-L306 WeakPolarHBondContact O-CG 3.43Å; V302-L306 PolarHBondContact O-N 2.93Å; E303-L306 PolarHBondContact O-N 2.86Å; F304-L306 VanDerWaalsContact C-N 3.31Å; F304-L306 PolarHBondContact O-N 2.76Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-G309 PolarHBondContact O-N 3.44Å; L306-G309 VanDerWaalsContact O-N 3.16Å; L306-P312 HydrophobicContact CD2-CB 4.04Å; L306-P312 HydrophobicContact CD2-CG 4.31Å; L306-I387 HydrophobicContact CD1-CG2 3.46Å; L306-I387 VanDerWaalsContact CD1-CG2 3.46Å; L306-L388 HydrophobicContact CD1-CD2 3.98Å; L306-L388 HydrophobicContact CD2-CD2 4.36Å; L306-R391 HydrophobicContact CD1-CG 4.28Å
307	D	92.5	Very high	87.4	Confident	92 Å²	92	41 Å²	41	49%	0.492	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-33.1	172.6	-79	-25.2	0	0	0	112.8	E303 F304 G309 R391	E303-D307 PolarHBondContact O-N 3.35Å; F304-D307 WeakPolarHBondContact O-CB 3.47Å; F304-D307 PolarHBondContact O-N 3.26Å; D307-G309 PolarHBondContact O-N 3.14Å; D307-R391 IonicContact OD1-CZ 3.8Å; D307-R391 IonicContact OD1-NH1 3.61Å; D307-R391 IonicContact OD1-NH2 3.52Å; D307-R391 PolarHBondContact OD1-NH2 3.17Å
308	Q	93.1	Very high	86.1	Confident	110 Å²	110	42.1 Å²	42.1	51%	0.514	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.9	173.6	-61.8	-52.1	-65.3	0	0	113.6	L272 I279 F304 L305 L306	L272-Q308 HydrophobicContact CD1-CB 4.14Å; L272-Q308 HydrophobicContact CD1-CG 3.98Å; I279-Q308 HydrophobicContact CD1-CB 3.59Å; F304-Q308 HydrophobicContact CD1-CG 4.2Å; F304-Q308 HydrophobicContact CD2-CG 4.42Å; F304-Q308 HydrophobicContact CE1-CG 3.76Å; F304-Q308 HydrophobicContact CE2-CG 3.99Å; F304-Q308 HydrophobicContact CZ-CG 3.63Å; F304-Q308 WeakPolarHBondContact O-CG 3.35Å; F304-Q308 PolarHBondContact O-N 2.88Å; L305-Q308 CarbonylContact O-C 3.54Å; L305-Q308 PolarHBondContact O-N 2.91Å; L306-Q308 VanDerWaalsContact C-N 3.31Å
309	G	90	Very high	84.3	Confident	48 Å²	48	46.6 Å²	46.6	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	22.2	173.9	0	0	0	0	0	116	L305 L306 D307	L305-G309 PolarHBondContact O-N 2.94Å; L305-G309 VanDerWaalsContact O-N 3.17Å; L306-G309 PolarHBondContact O-N 3.44Å; L306-G309 VanDerWaalsContact O-N 3.16Å; D307-G309 PolarHBondContact O-N 3.14Å
310	A	92.8	Very high	82.2	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.041	26%	0.257	C	S	.	.			trans	-62.9	135.8	170.2	0	0	0	0	0	111.1	I279 N280 L290 L305 P312	I279-A310 HydrophobicContact CD1-CB 3.86Å; I279-A310 HydrophobicContact CG1-CB 3.94Å; N280-A310 WeakPolarHBondContact OD1-CA 3.44Å; L290-A310 HydrophobicContact CB-CB 4.22Å; L290-A310 HydrophobicContact CD2-CB 4Å; L305-A310 HydrophobicContact CB-CB 3.95Å; L305-A310 WeakPolarHBondContact O-CB 3.13Å; L305-A310 PolarHBondContact O-N 2.92Å; A310-P312 WeakPolarHBondContact O-CD 3.31Å
311	D	87.6	Confident	80	Confident	63 Å²	63	45.5 Å²	45.5	34%	0.337	25%	0.247	S	C	.	.			trans	-85.4	116	-179.7	-176.7	-11.2	0	0	0	110.8	N280 D313 I314	N280-D311 PolarHBondContact OD1-N 2.93Å; D311-D313 VanDerWaalsContact C-N 3.28Å; D311-D313 PolarHBondContact O-N 3.45Å; D311-D313 PolarHBondContact OD1-N 3.11Å; D311-I314 HydrophobicContact CB-CD1 3.77Å; D311-I314 HydrophobicContact CB-CG1 3.84Å
312	P	87	Confident	77.4	Confident	10 Å²	10	55.1 Å²	55.1	7%	0.065	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.3	-178.7	34.1	-36.9	0	0	0	114.5	L290 L306 A310 P356 L388	L290-P312 HydrophobicContact CD2-CB 4.26Å; L306-P312 HydrophobicContact CD2-CB 4.04Å; L306-P312 HydrophobicContact CD2-CG 4.31Å; A310-P312 WeakPolarHBondContact O-CD 3.31Å; P312-P356 VanDerWaalsContact O-CD 3.28Å; P312-P356 WeakPolarHBondContact O-CD 3.45Å; P312-L388 HydrophobicContact CB-CD2 3.95Å
313	D	82	Confident	74.6	Confident	65 Å²	65	58.1 Å²	58.1	35%	0.348	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-4.6	-177.1	-73.6	-44.3	0	0	0	113.5	D311 S315 K392	D311-D313 VanDerWaalsContact C-N 3.28Å; D311-D313 PolarHBondContact O-N 3.45Å; D311-D313 PolarHBondContact OD1-N 3.11Å; D313-S315 PolarHBondContact O-N 3.49Å; D313-K392 IonicContact OD1-NZ 3.17Å; D313-K392 PolarHBondContact OD1-NZ 2.93Å
314	I	82.1	Confident	72	Confident	25 Å²	25	56.4 Å²	56.4	13%	0.128	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-57.5	131.9	172.7	-66.8	176	0	0	0	109.7	N280 Q282 T288 H291 D311 P356	N280-I314 HydrophobicContact CB-CD1 3.73Å; Q282-I314 HydrophobicContact CG-CG2 3.87Å; Q282-I314 VanDerWaalsContact NE2-CG2 3.27Å; T288-I314 HydrophobicContact CG2-CB 4.28Å; T288-I314 HydrophobicContact CG2-CD1 4.04Å; T288-I314 HydrophobicContact CG2-CG2 3.74Å; H291-I314 PolarHBondContact CE1-O 3.3Å; H291-I314 PolarHBondContact NE2-O 3.44Å; D311-I314 HydrophobicContact CB-CD1 3.77Å; D311-I314 HydrophobicContact CB-CG1 3.84Å; I314-P356 WeakPolarHBondContact O-CD 3.46Å
315	S	81.1	Confident	69.2	Low	15 Å²	15	63.7 Å²	63.7	11%	0.105	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-104	128.9	-179.8	-61.3	0	0	0	0	111.1	Q282 D313 Y317	Q282-S315 PolarHBondContact NE2-O 3.39Å; D313-S315 PolarHBondContact O-N 3.49Å; S315-Y317 WeakPolarHBondContact O-CE2 3.21Å
316	A	77.9	Confident	66.4	Low	1 Å²	1	71.9 Å²	71.9	1%	0.008	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-78.4	149.2	166.5	0	0	0	0	0	111.2	H287 Q354 W359	H287-A316 HydrophobicContact CB-CB 3.96Å; A316-Q354 HydrophobicContact CB-CB 4.1Å; A316-Q354 PolarHBondContact N-O 2.64Å; A316-W359 HydrophobicContact CB-CZ2 4.32Å
317	Y	68.3	Low	63.8	Low	92 Å²	92	74.1 Å²	74.1	36%	0.361	40%	0.404	S	S	.	.			trans	-120.5	95.6	-178.1	-60.1	-74.5	0	0	0	110.2	D285 S315 N319 L320	D285-Y317 CarbonylContact O-C 3.42Å; D285-Y317 PolarHBondContact O-N 3.2Å; S315-Y317 WeakPolarHBondContact O-CE2 3.21Å; Y317-N319 PolarHBondContact O-N 2.91Å; Y317-L320 HydrophobicContact CD2-CD1 4.49Å; Y317-L320 HydrophobicContact CG-CD1 4.38Å
318	P	54.4	Low	61.1	Low	44 Å²	44	73.7 Å²	73.7	29%	0.286	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.1	-171.1	-24.7	33.4	0	0	0	116.8	Q354	P318-Q354 HydrophobicContact CG-CG 3.77Å
319	N	48	Very low	58.7	Low	119 Å²	119	73.8 Å²	73.8	64%	0.636	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	7.7	-161.9	-68.5	-18.5	0	0	0	115.8	Y317 V321	Y317-N319 PolarHBondContact O-N 2.91Å; N319-V321 VanDerWaalsContact C-N 3.29Å; N319-V321 PolarHBondContact O-N 2.98Å
320	L	43.7	Very low	56.2	Low	45 Å²	45	76.1 Å²	76.1	24%	0.236	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-72.8	-19.7	-180	-101.9	152.3	0	0	0	114	Y317 K322 A323 Y332	Y317-L320 HydrophobicContact CD2-CD1 4.49Å; Y317-L320 HydrophobicContact CG-CD1 4.38Å; L320-K322 PolarHBondContact O-N 3.1Å; L320-K322 VanDerWaalsContact O-N 3.07Å; L320-A323 PolarHBondContact O-N 3.41Å; L320-A323 VanDerWaalsContact O-N 3.11Å; L320-Y332 HydrophobicContact CD1-CE1 4.39Å
321	V	43.2	Very low	53.6	Low	73 Å²	73	77.7 Å²	77.7	44%	0.442	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-66.5	-14.8	-173.8	-171.4	0	0	0	0	113.5	N319	N319-V321 VanDerWaalsContact C-N 3.29Å; N319-V321 PolarHBondContact O-N 2.98Å
322	K	37.7	Very low	51.4	Low	207 Å²	207	80.5 Å²	80.5	90%	0.9	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-94.2	-11.7	174.9	-85.6	-172.2	174.6	-172.9	0	115.4	L320	L320-K322 PolarHBondContact O-N 3.1Å; L320-K322 VanDerWaalsContact O-N 3.07Å
323	A	33.9	Very low	49.2	Very low	63 Å²	63	86.6 Å²	86.6	52%	0.521	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-10.4	-178.1	0	0	0	0	0	113.5	L320 H325 E326	L320-A323 PolarHBondContact O-N 3.41Å; L320-A323 VanDerWaalsContact O-N 3.11Å; A323-H325 VanDerWaalsContact C-N 3.34Å; A323-H325 PolarHBondContact O-N 3.19Å; A323-E326 PolarHBondContact O-N 2.96Å
324	A	35.4	Very low	47.4	Very low	56 Å²	56	90.4 Å²	90.4	46%	0.463	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.3	-167.5	0	0	0	0	0	116.2	E326	A324-E326 PolarHBondContact O-N 2.98Å
325	H	37.1	Very low	45.5	Very low	190 Å²	190	95.8 Å²	95.8	88%	0.88	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.6	168.6	-81.2	-72.3	0	0	0	112.9	A323	A323-H325 VanDerWaalsContact C-N 3.34Å; A323-H325 PolarHBondContact O-N 3.19Å
326	E	33.8	Very low	43.6	Very low	173 Å²	173	103.5 Å²	103.5	81%	0.808	53%	0.534	S	S	*	.	S	Bend	trans	-126.2	86.9	175.3	-66	-177.9	177.7	0	0	110	A323 A324	A323-E326 PolarHBondContact O-N 2.96Å; A324-E326 PolarHBondContact O-N 2.98Å
327	S	38.9	Very low	41.9	Very low	60 Å²	60	107.8 Å²	107.8	42%	0.42	56%	0.564	S	S	.	*			trans	49.1	104.2	167.1	-169.3	0	0	0	0	117.6	I329 N330	S327-I329 PolarHBondContact O-N 3.12Å; S327-N330 PolarHBondContact O-N 2.88Å
328	P	34.8	Very low	40.4	Very low	83 Å²	83	108 Å²	108	54%	0.539	58%	0.579	S	S	.	*	H	α-helix	trans	-57.5	-15.4	177.7	-22.8	32.1	0	0	0	115.4	Y332	P328-Y332 WeakPolarHBondContact O-CD2 3.4Å
329	I	42.3	Very low	39.6	Very low	112 Å²	112	108.9 Å²	108.9	57%	0.574	60%	0.596	S	S	*	*	H	α-helix	trans	-82.4	-26.4	-172	-67.9	169.8	0	0	0	112.8	S327	S327-I329 PolarHBondContact O-N 3.12Å
330	N	39.3	Very low	39	Very low	98 Å²	98	110.9 Å²	110.9	52%	0.524	61%	0.607	S	S	.	*	H	α-helix	trans	-85.6	-34.4	-174.6	-73.9	-12.5	0	0	0	112.9	S327 Y332 K333 E334	S327-N330 PolarHBondContact O-N 2.88Å; N330-Y332 VanDerWaalsContact C-N 3.3Å; N330-Y332 PolarHBondContact O-N 3.46Å; N330-K333 PolarHBondContact O-N 3.19Å; N330-E334 PolarHBondContact O-N 2.9Å
331	A	38.1	Very low	38.6	Very low	38 Å²	38	114.7 Å²	114.7	31%	0.314	64%	0.637	S	S	.	*	H	α-helix	trans	-63	-34.3	-179.9	0	0	0	0	0	113	L335	A331-L335 WeakPolarHBondContact O-CD1 3.4Å
332	Y	39.8	Very low	38	Very low	122 Å²	122	117.8 Å²	117.8	48%	0.478	66%	0.656	S	S	.	*	H	α-helix	trans	-73.9	-32.6	176.8	-68.9	-73.2	0	0	0	113.1	L320 P328 N330	L320-Y332 HydrophobicContact CD1-CE1 4.39Å; P328-Y332 WeakPolarHBondContact O-CD2 3.4Å; N330-Y332 VanDerWaalsContact C-N 3.3Å; N330-Y332 PolarHBondContact O-N 3.46Å
333	K	41.3	Very low	37.6	Very low	138 Å²	138	112.5 Å²	112.5	60%	0.6	65%	0.645	S	S	*	*	H	α-helix	trans	-75.4	-32.2	-178.7	-77	-176.2	175.9	179.3	0	113.6	N330 L335 S337	N330-K333 PolarHBondContact O-N 3.19Å; K333-L335 VanDerWaalsContact C-N 3.28Å; K333-S337 WeakPolarHBondContact O-CB 3.49Å; K333-S337 PolarHBondContact O-N 3.43Å; K333-S337 PolarHBondContact O-OG 2.82Å
334	E	44.1	Very low	37.5	Very low	145 Å²	145	120.5 Å²	120.5	68%	0.678	66%	0.662	S	S	*	*	H	α-helix	trans	-71.9	-24.8	176.4	-71.2	-176.6	170.9	0	0	112.5	N330 S338	N330-E334 PolarHBondContact O-N 2.9Å; E334-S338 PolarHBondContact O-OG 3.38Å
335	L	42.4	Very low	37.3	Very low	137 Å²	137	128.3 Å²	128.3	72%	0.717	69%	0.686	S	S	*	*	H	α-helix	trans	-77.8	-26.4	177.6	-98.3	150.2	0	0	0	114	A331 K333	A331-L335 WeakPolarHBondContact O-CD1 3.4Å; K333-L335 VanDerWaalsContact C-N 3.28Å
336	E	41.2	Very low	36.9	Very low	178 Å²	178	122.8 Å²	122.8	83%	0.832	68%	0.68	S	S	*	*	H	α-helix	trans	-94.1	-14.1	179.1	-69.8	-176.1	162.2	0	0	113.7
337	S	42.5	Very low	36.6	Very low	90 Å²	90	124.1 Å²	124.1	63%	0.629	69%	0.686	S	S	*	*	S	Bend	trans	-103.4	-3.7	-170.7	52.9	0	0	0	0	115.6	K333 G339	K333-S337 WeakPolarHBondContact O-CB 3.49Å; K333-S337 PolarHBondContact O-N 3.43Å; K333-S337 PolarHBondContact O-OG 2.82Å; S337-G339 PolarHBondContact O-N 2.66Å
338	S	37.2	Very low	36.1	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	70%	0.704	S	S	*	*			trans	-100	59	179.5	47.9	0	0	0	0	112.5	E334	E334-S338 PolarHBondContact O-OG 3.38Å
339	G	36.8	Very low	36.1	Very low	62 Å²	62	126.2 Å²	126.2	64%	0.639	71%	0.707	S	S	*	*			trans	-75.7	132.9	155.6	0	0	0	0	0	109.2	S337	S337-G339 PolarHBondContact O-N 2.66Å
340	D	34.7	Very low	35.7	Very low	161 Å²	161	131 Å²	131	86%	0.861	72%	0.724	S	S	*	*	S	Bend	trans	64.2	90.3	170.8	-60	-25.7	0	0	0	117.6
341	S	35.2	Very low	36.2	Very low	125 Å²	125	132.2 Å²	132.2	87%	0.874	73%	0.726	S	S	*	*				173	128.9	117.6	44.3	0	0	0	0	112
342	V	31.9	Very low	37	Very low	138 Å²	138	135.9 Å²	135.9	84%	0.836	74%	0.737	S	S	*	*			trans	-74.6	148.4	-178.2	174.4	0	0	0	0	110.4
343	S	29.2	Very low	38.2	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	75%	0.745	S	S	*	*			trans	82.1	87.4	161.7	76.5	0	0	0	0	117.7
344	R	31.9	Very low	39.8	Very low	231 Å²	231	131.7 Å²	131.7	87%	0.872	72%	0.722	S	S	*	*				160.7	86.2	129.2	-91.1	174.2	-110	-169.1	-7.1	108.2
345	F	30	Very low	41.6	Very low	220 Å²	220	126 Å²	126	97%	0.965	70%	0.696	S	S	*	*	S	Bend	trans	-178.5	139.4	145.8	-93.2	-67.3	0	0	0	107.3
346	G	30	Very low	43.5	Very low	73 Å²	73	119.4 Å²	119.4	75%	0.753	66%	0.662	S	S	*	*			trans	-60.1	150.1	-159.9	0	0	0	0	0	116.2	S348	G346-S348 PolarHBondContact O-N 3.45Å
347	Q	27.2	Very low	45.4	Very low	201 Å²	201	112.8 Å²	112.8	94%	0.939	63%	0.632	S	S	*	*			trans	-62.4	103.2	176.4	-64.3	161.3	-11.7	0	0	112.1
348	S	28.4	Very low	47.1	Very low	116 Å²	116	112.4 Å²	112.4	81%	0.811	62%	0.621	S	S	*	*			trans	-173.6	70.5	155.3	61.1	0	0	0	0	114.8	G346	G346-S348 PolarHBondContact O-N 3.45Å
349	A	33.6	Very low	49.1	Very low	72 Å²	72	107.8 Å²	107.8	60%	0.595	59%	0.589	S	S	*	*			trans	-169.7	74.3	154.4	0	0	0	0	0	110.6	H351	A349-H351 VanDerWaalsContact C-N 3.28Å; A349-H351 PolarHBondContact O-N 3.02Å
350	F	35.7	Very low	50.9	Low	213 Å²	213	104.8 Å²	104.8	93%	0.934	56%	0.558	S	S	*	*			trans	-68.2	95.6	160.8	-96.6	-86.8	0	0	0	107.5	E352	F350-E352 VanDerWaalsContact C-N 3.28Å; F350-E352 PolarHBondContact O-N 2.98Å
351	H	48.7	Very low	52.6	Low	123 Å²	123	101.8 Å²	101.8	57%	0.569	54%	0.536	S	S	*	.			trans	-70.7	83.7	168.9	-75.9	-87.5	0	0	0	108.7	A349 K353	A349-H351 VanDerWaalsContact C-N 3.28Å; A349-H351 PolarHBondContact O-N 3.02Å; H351-K353 PolarHBondContact O-N 3.18Å
352	E	55.7	Low	54	Low	115 Å²	115	97.1 Å²	97.1	54%	0.537	50%	0.5	S	S	.	.			trans	-64.5	114.3	172.1	-76.8	-173.8	171	0	0	109.7	F350 Q354	F350-E352 VanDerWaalsContact C-N 3.28Å; F350-E352 PolarHBondContact O-N 2.98Å; E352-Q354 PolarHBondContact O-N 3.13Å
353	K	64.9	Low	55.6	Low	149 Å²	149	94.6 Å²	94.6	65%	0.648	48%	0.478	S	S	*	.			trans	-53.6	123	173.7	-68.1	-175.5	179	-174.1	0	110.1	H351	H351-K353 PolarHBondContact O-N 3.18Å
354	Q	74.5	Confident	56.6	Low	23 Å²	23	91.1 Å²	91.1	11%	0.107	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-101	91.9	179.2	-67.7	-66.1	-53.1	0	0	110	H291 A316 P318 E352	H291-Q354 PolarHBondContact NE2-O 2.66Å; A316-Q354 HydrophobicContact CB-CB 4.1Å; A316-Q354 PolarHBondContact N-O 2.64Å; P318-Q354 HydrophobicContact CG-CG 3.77Å; E352-Q354 PolarHBondContact O-N 3.13Å
355	T	82.9	Confident	57.4	Low	24 Å²	24	86.8 Å²	86.8	15%	0.147	44%	0.441	C	S	.	.			trans	-89	165.8	177.8	53.7	0	0	0	0	111.9	I357 M358 W359	T355-I357 PolarHBondContact O-N 3.38Å; T355-I357 WeakPolarHBondContact OG1-CG2 3.46Å; T355-M358 WeakPolarHBondContact O-CA 3.39Å; T355-M358 WeakPolarHBondContact O-CB 3.34Å; T355-M358 PolarHBondContact O-N 3.31Å; T355-M358 WeakPolarHBondContact OG1-CG 3.36Å; T355-W359 PolarHBondContact O-N 3.47Å
356	P	82.2	Confident	57.9	Low	0 Å²	0	78.9 Å²	78.9	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-55.2	-37.1	178.6	-26.9	34.5	0	0	0	113.7	L290 H291 C294 P312 I314 M358 W359 A360	L290-P356 HydrophobicContact CD2-CB 4.22Å; L290-P356 HydrophobicContact CD2-CG 3.95Å; L290-P356 HydrophobicContact CG-CB 4.02Å; L290-P356 HydrophobicContact CG-CG 4.07Å; H291-P356 VanDerWaalsContact NE2-CD 3.29Å; H291-P356 WeakPolarHBondContact NE2-CD 3.46Å; C294-P356 HydrophobicContact CB-CB 4.37Å; C294-P356 WeakPolarHBondContact CB-O 3.19Å; P312-P356 VanDerWaalsContact O-CD 3.28Å; P312-P356 WeakPolarHBondContact O-CD 3.45Å; I314-P356 WeakPolarHBondContact O-CD 3.46Å; P356-M358 VanDerWaalsContact C-N 3.29Å; P356-M358 PolarHBondContact O-N 2.8Å; P356-W359 WeakPolarHBondContact O-CB 3.27Å; P356-W359 PolarHBondContact O-N 3.43Å; P356-A360 PolarHBondContact O-N 3.35Å
357	I	79.7	Confident	58.5	Low	39 Å²	39	83.8 Å²	83.8	20%	0.2	41%	0.412	C	S	.	.	H	α-helix	trans	-64.7	-33.6	176.9	-163.5	172.8	0	0	0	112.2	T355 A360 Y361 L388 K389	T355-I357 PolarHBondContact O-N 3.38Å; T355-I357 WeakPolarHBondContact OG1-CG2 3.46Å; I357-A360 PolarHBondContact O-N 2.92Å; I357-Y361 HydrophobicContact CD1-CE2 4.07Å; I357-Y361 HydrophobicContact CG1-CD2 4.07Å; I357-Y361 HydrophobicContact CG1-CE2 3.75Å; I357-Y361 WeakPolarHBondContact O-CD2 3.22Å; I357-Y361 PolarHBondContact O-N 3.16Å; I357-Y361 VanDerWaalsContact O-N 3.08Å; I357-L388 HydrophobicContact CB-CB 4.44Å; I357-L388 HydrophobicContact CB-CD1 3.81Å; I357-L388 HydrophobicContact CD1-CB 4.24Å; I357-L388 HydrophobicContact CG1-CB 4.32Å; I357-L388 HydrophobicContact CG1-CD1 4.07Å; I357-K389 HydrophobicContact CD1-CG 4.02Å
358	M	77.9	Confident	59	Low	81 Å²	81	79 Å²	79	40%	0.399	39%	0.392	S	S	.	.	H	α-helix	trans	-67.8	-39.4	175	-63.7	-63.5	-72.6	0	0	110.9	T355 P356 Y361 E362	T355-M358 WeakPolarHBondContact O-CA 3.39Å; T355-M358 WeakPolarHBondContact O-CB 3.34Å; T355-M358 PolarHBondContact O-N 3.31Å; T355-M358 WeakPolarHBondContact OG1-CG 3.36Å; P356-M358 VanDerWaalsContact C-N 3.29Å; P356-M358 PolarHBondContact O-N 2.8Å; M358-Y361 PolarHBondContact O-N 3.13Å; M358-E362 WeakPolarHBondContact O-CB 3.38Å; M358-E362 PolarHBondContact O-N 3.17Å
359	W	79.1	Confident	59.7	Low	1 Å²	1	76.1 Å²	76.1	0%	0.004	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-39.1	175.6	-77.4	42.6	0	0	0	111.9	M1 Y4 H287 H291 C294 Y295 A316 T355 P356 E362 K363	M1-W359 HydrophobicContact CE-CB 4.17Å; M1-W359 HydrophobicContact CE-CD2 3.68Å; M1-W359 HydrophobicContact CE-CG 3.49Å; M1-W359 VanDerWaalsContact CE-CG 3.49Å; M1-W359 HydrophobicContact CG-CZ2 3.93Å; Y4-W359 HydrophobicContact CD1-CZ3 4.2Å; Y4-W359 HydrophobicContact CD2-CH2 4.32Å; Y4-W359 HydrophobicContact CD2-CZ3 4.16Å; Y4-W359 HydrophobicContact CE1-CZ3 4.38Å; Y4-W359 HydrophobicContact CE2-CZ3 4.31Å; Y4-W359 HydrophobicContact CG-CH2 4.22Å; Y4-W359 HydrophobicContact CG-CZ3 4.1Å; H287-W359 HydrophobicContact CB-CH2 3.55Å; H287-W359 HydrophobicContact CB-CZ2 3.82Å; H287-W359 HydrophobicContact CB-CZ3 4.26Å; H287-W359 AromaticContact CG-CH2 3.79Å; H291-W359 HydrophobicContact CB-CD2 3.9Å; H291-W359 HydrophobicContact CB-CE3 3.65Å; H291-W359 HydrophobicContact CB-CG 4.49Å; H291-W359 HydrophobicContact CB-CH2 4.4Å; H291-W359 HydrophobicContact CB-CZ3 3.93Å; H291-W359 AromaticContact CD2-CD1 3.99Å; H291-W359 AromaticContact CD2-NE1 3.93Å; C294-W359 HydrophobicContact CB-CB 4.49Å; Y295-W359 HydrophobicContact CD2-CD2 4.49Å; Y295-W359 HydrophobicContact CD2-CE3 4.14Å; Y295-W359 HydrophobicContact CG-CE3 4.15Å; A316-W359 HydrophobicContact CB-CZ2 4.32Å; T355-W359 PolarHBondContact O-N 3.47Å; P356-W359 WeakPolarHBondContact O-CB 3.27Å; P356-W359 PolarHBondContact O-N 3.43Å; W359-E362 PolarHBondContact O-N 2.78Å; W359-K363 PolarHBondContact O-N 2.91Å
360	A	76.6	Confident	60.1	Low	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-47.4	173.9	0	0	0	0	0	112.1	C294 P356 I357 E362 G364 F381 I384 V385	C294-A360 HydrophobicContact CB-CB 4.14Å; P356-A360 PolarHBondContact O-N 3.35Å; I357-A360 PolarHBondContact O-N 2.92Å; A360-E362 VanDerWaalsContact C-N 3.29Å; A360-E362 PolarHBondContact O-N 3.27Å; A360-G364 PolarHBondContact O-N 3.25Å; A360-F381 WeakPolarHBondContact O-CD1 3.27Å; A360-I384 HydrophobicContact CB-CG2 3.59Å; A360-V385 HydrophobicContact CB-CG2 4.21Å
361	Y	68.9	Low	60.2	Low	98 Å²	98	71 Å²	71	38%	0.384	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-36.5	177.8	-82.3	-60.5	0	0	0	113	I357 M358 K363 V385 K389	I357-Y361 HydrophobicContact CD1-CE2 4.07Å; I357-Y361 HydrophobicContact CG1-CD2 4.07Å; I357-Y361 HydrophobicContact CG1-CE2 3.75Å; I357-Y361 WeakPolarHBondContact O-CD2 3.22Å; I357-Y361 PolarHBondContact O-N 3.16Å; I357-Y361 VanDerWaalsContact O-N 3.08Å; M358-Y361 PolarHBondContact O-N 3.13Å; Y361-K363 PolarHBondContact O-N 3.22Å; Y361-V385 HydrophobicContact CD1-CG2 4.02Å; Y361-V385 HydrophobicContact CE1-CB 4.48Å; Y361-V385 HydrophobicContact CE1-CG1 3.82Å; Y361-V385 HydrophobicContact CE1-CG2 3.84Å; Y361-V385 HydrophobicContact CE2-CG1 4.18Å; Y361-V385 HydrophobicContact CE2-CG2 4.39Å; Y361-V385 HydrophobicContact CG-CG2 4.37Å; Y361-V385 VanDerWaalsContact CZ-CG1 3.48Å; Y361-V385 VanDerWaalsContact OH-CG1 3.25Å; Y361-V385 WeakPolarHBondContact OH-CG1 3.35Å; Y361-K389 WeakPolarHBondContact OH-CE 3.47Å; Y361-K389 PolarHBondContact OH-NZ 3.24Å
362	E	65.3	Low	59.8	Low	26 Å²	26	71.7 Å²	71.7	12%	0.121	37%	0.368	C	S	.	.	H	α-helix	trans	-70.2	-32.8	-173.2	-165.9	173.9	162.2	0	0	113.3	M1 K5 M358 W359 A360	M1-E362 HydrophobicContact CE-CB 4.33Å; M1-E362 WeakPolarHBondContact CE-OE2 3.48Å; K5-E362 WeakPolarHBondContact CE-OE1 3.28Å; K5-E362 IonicContact NZ-OE1 2.65Å; K5-E362 PolarHBondContact NZ-OE1 3.43Å; M358-E362 WeakPolarHBondContact O-CB 3.38Å; M358-E362 PolarHBondContact O-N 3.17Å; W359-E362 PolarHBondContact O-N 2.78Å; A360-E362 VanDerWaalsContact C-N 3.29Å; A360-E362 PolarHBondContact O-N 3.27Å
363	K	64.8	Low	58.9	Low	85 Å²	85	71.7 Å²	71.7	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-88.2	-29.8	178.2	-152.6	-73.6	-136.4	161.8	0	112.8	Y295 W359 Y361 R365 F381	Y295-K363 VanDerWaalsContact O-CB 3.25Å; Y295-K363 WeakPolarHBondContact O-CB 3.44Å; Y295-K363 WeakPolarHBondContact O-CG 3.46Å; W359-K363 PolarHBondContact O-N 2.91Å; Y361-K363 PolarHBondContact O-N 3.22Å; K363-R365 PolarHBondContact O-N 3.47Å; K363-F381 HydrophobicContact CB-CE1 3.72Å; K363-F381 HydrophobicContact CB-CZ 3.75Å; K363-F381 HydrophobicContact CD-CE1 4.25Å; K363-F381 HydrophobicContact CD-CE2 3.7Å; K363-F381 HydrophobicContact CD-CZ 3.37Å; K363-F381 HydrophobicContact CG-CE1 4.38Å; K363-F381 HydrophobicContact CG-CZ 3.93Å
364	G	51.6	Low	57.6	Low	24 Å²	24	75.7 Å²	75.7	25%	0.247	38%	0.383	C	S	.	.	S	Bend	trans	-70.1	-6.7	178	0	0	0	0	0	116	A360 F381	A360-G364 PolarHBondContact O-N 3.25Å; G364-F381 VanDerWaalsContact CA-CG 3.45Å
365	R	47.2	Very low	55.6	Low	140 Å²	140	82.9 Å²	82.9	53%	0.528	41%	0.414	S	S	.	.	S	Bend	trans	-70.1	125.6	176.4	-69.8	-169.3	-176	-162.5	2	110.6	K363 K367	K363-R365 PolarHBondContact O-N 3.47Å; R365-K367 PolarHBondContact O-N 3.07Å
366	P	40.6	Very low	53.3	Low	54 Å²	54	86.5 Å²	86.5	35%	0.351	44%	0.439	S	S	.	.			trans	-54.6	139.4	172.2	21.3	-30.8	0	0	0	109.3	I368 V377 F378	P366-I368 PolarHBondContact O-N 2.67Å; P366-V377 HydrophobicContact CB-CG1 4.03Å; P366-F378 HydrophobicContact CG-CE1 4.41Å; P366-F378 HydrophobicContact CG-CZ 4.35Å
367	K	42.3	Very low	50.9	Low	175 Å²	175	89.4 Å²	89.4	76%	0.761	46%	0.456	S	S	*	.			trans	-57.5	109.1	166.5	-79.8	-176.9	179.4	177	0	106.2	R365 G369 T370	R365-K367 PolarHBondContact O-N 3.07Å; K367-G369 PolarHBondContact O-N 3.18Å; K367-T370 HydrophobicContact CB-CG2 4.16Å; K367-T370 PolarHBondContact O-N 3.47Å; K367-T370 PolarHBondContact O-OG1 2.93Å
368	I	39.1	Very low	49	Very low	101 Å²	101	92.3 Å²	92.3	52%	0.518	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	116.1	178.3	-65.2	169.5	0	0	0	107.2	P366 A480	P366-I368 PolarHBondContact O-N 2.67Å; I368-A480 HydrophobicContact CD1-CB 3.27Å
369	G	43	Very low	47.3	Very low	55 Å²	55	96.4 Å²	96.4	57%	0.567	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.8	-5.2	-172.9	0	0	0	0	0	116.6	K367	K367-G369 PolarHBondContact O-N 3.18Å
370	T	40.8	Very low	45.9	Very low	62 Å²	62	97.9 Å²	97.9	38%	0.38	50%	0.501	S	S	.	.	S	Bend	trans	-76.9	127.3	165.5	47.2	0	0	0	0	109.9	K367 I372	K367-T370 HydrophobicContact CB-CG2 4.16Å; K367-T370 PolarHBondContact O-N 3.47Å; K367-T370 PolarHBondContact O-OG1 2.93Å; T370-I372 PolarHBondContact O-N 2.85Å
371	P	39.3	Very low	45.3	Very low	115 Å²	115	99.1 Å²	99.1	75%	0.747	51%	0.507	S	S	*	.			trans	-52.7	130.2	174.2	-21.4	30.6	0	0	0	109.5	N373	P371-N373 PolarHBondContact O-N 3Å
372	I	39.1	Very low	45.2	Very low	138 Å²	138	98.8 Å²	98.8	71%	0.708	51%	0.512	S	S	*	.			trans	-71	78.6	175.1	-54.4	173.5	0	0	0	107.2	T370 R374	T370-I372 PolarHBondContact O-N 2.85Å; I372-R374 HydrophobicContact CG2-CG 3.98Å; I372-R374 PolarHBondContact O-N 2.71Å
373	N	37.7	Very low	45.7	Very low	115 Å²	115	100 Å²	100	62%	0.615	52%	0.522	S	S	*	.			trans	-76.6	102.6	157.6	-154.2	-9.2	0	0	0	105.3	P371 K375 C376	P371-N373 PolarHBondContact O-N 3Å; N373-K375 PolarHBondContact O-N 2.92Å; N373-C376 PolarHBondContact O-N 3.33Å
374	R	36.3	Very low	46.4	Very low	234 Å²	234	96 Å²	96	88%	0.883	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-0.3	-171.7	-83.1	-174.4	-179.2	172.3	0.7	115.2	I372	I372-R374 HydrophobicContact CG2-CG 3.98Å; I372-R374 PolarHBondContact O-N 2.71Å
375	K	33.8	Very low	47.8	Very low	174 Å²	174	95.2 Å²	95.2	76%	0.757	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-5.7	-179.1	-86.6	-174.8	170.9	-177.9	0	116.2	N373	N373-K375 PolarHBondContact O-N 2.92Å
376	C	33.7	Very low	49.4	Very low	99 Å²	99	92.1 Å²	92.1	67%	0.669	49%	0.489	S	S	*	.	S	Bend	trans	-133	5.8	-166.2	-61.7	0	0	0	0	118.5	N373	N373-C376 PolarHBondContact O-N 3.33Å
377	V	33.1	Very low	51.5	Low	61 Å²	61	90.9 Å²	90.9	37%	0.37	48%	0.479	S	S	.	.	S	Bend	trans	-125.6	0.3	-166.1	-169.2	0	0	0	0	116.6	P366	P366-V377 HydrophobicContact CB-CG1 4.03Å
378	F	39.2	Very low	53.4	Low	100 Å²	100	82.8 Å²	82.8	44%	0.439	44%	0.444	S	S	.	.	S	Bend	trans	-124.3	-9.4	-174.1	-66.3	-79.1	0	0	0	116.5	P366 G380	P366-F378 HydrophobicContact CG-CE1 4.41Å; P366-F378 HydrophobicContact CG-CZ 4.35Å; F378-G380 PolarHBondContact O-N 3.28Å
379	E	42.4	Very low	55.4	Low	168 Å²	168	82.8 Å²	82.8	79%	0.785	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.9	-161.8	-65.2	-176.9	161.2	0	0	115.4	P383	E379-P383 WeakPolarHBondContact O-CG 3.47Å
380	G	49.8	Very low	57.1	Low	32 Å²	32	88.6 Å²	88.6	33%	0.33	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-29	-174.4	0	0	0	0	0	117.5	F378 I384	F378-G380 PolarHBondContact O-N 3.28Å; G380-I384 WeakPolarHBondContact O-CD1 3.27Å
381	F	62.7	Low	58.8	Low	26 Å²	26	90.1 Å²	90.1	11%	0.114	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-30.1	-168.6	-74	-88.8	0	0	0	114.7	C294 G297 A360 K363 G364 P383 I384 V385	C294-F381 WeakPolarHBondContact O-CE1 3.4Å; G297-F381 VanDerWaalsContact CA-CE1 3.41Å; A360-F381 WeakPolarHBondContact O-CD1 3.27Å; K363-F381 HydrophobicContact CB-CE1 3.72Å; K363-F381 HydrophobicContact CB-CZ 3.75Å; K363-F381 HydrophobicContact CD-CE1 4.25Å; K363-F381 HydrophobicContact CD-CE2 3.7Å; K363-F381 HydrophobicContact CD-CZ 3.37Å; K363-F381 HydrophobicContact CG-CE1 4.38Å; K363-F381 HydrophobicContact CG-CZ 3.93Å; G364-F381 VanDerWaalsContact CA-CG 3.45Å; F381-P383 VanDerWaalsContact C-CD 3.48Å; F381-P383 VanDerWaalsContact C-N 3.34Å; F381-I384 HydrophobicContact CD1-CD1 4.42Å; F381-I384 PolarHBondContact O-N 3.44Å; F381-I384 VanDerWaalsContact O-N 3.16Å; F381-V385 PolarHBondContact O-N 2.97Å
382	D	66.5	Low	60.3	Low	91 Å²	91	89.9 Å²	89.9	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-57.5	-42.5	173.2	-69	-19.4	0	0	0	111.9	I384 V385 D386	D382-I384 VanDerWaalsContact C-N 3.32Å; D382-I384 PolarHBondContact O-N 2.89Å; D382-V385 PolarHBondContact O-N 2.84Å; D382-D386 WeakPolarHBondContact O-CB 3.15Å; D382-D386 PolarHBondContact O-N 2.88Å
383	P	76	Confident	61.5	Low	52 Å²	52	86 Å²	86	34%	0.338	42%	0.42	S	S	.	.	H	α-helix	trans	-58.4	-41.1	174.2	-24.7	35	0	0	0	113.1	A299 E379 F381 D386 I387	A299-P383 HydrophobicContact CB-CB 4.37Å; E379-P383 WeakPolarHBondContact O-CG 3.47Å; F381-P383 VanDerWaalsContact C-CD 3.48Å; F381-P383 VanDerWaalsContact C-N 3.34Å; P383-D386 PolarHBondContact O-N 2.83Å; P383-I387 WeakPolarHBondContact O-CB 3.43Å; P383-I387 WeakPolarHBondContact O-CD1 3.2Å; P383-I387 WeakPolarHBondContact O-CG1 3.31Å; P383-I387 PolarHBondContact O-N 2.98Å
384	I	80.5	Confident	63	Low	0 Å²	0	85.3 Å²	85.3	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-65.8	-46.6	-178.8	-69	170.6	0	0	0	111.2	C294 G297 A299 V302 A360 G380 F381 D382 D386 I387 L388	C294-I384 HydrophobicContact CB-CG2 4.48Å; G297-I384 VanDerWaalsContact C-CD1 3.41Å; G297-I384 VanDerWaalsContact CA-CD1 3.45Å; A299-I384 HydrophobicContact CB-CD1 4.36Å; A299-I384 HydrophobicContact CB-CG1 3.81Å; V302-I384 HydrophobicContact CG1-CG2 4.27Å; V302-I384 HydrophobicContact CG2-CD1 4.34Å; V302-I384 HydrophobicContact CG2-CG1 4.29Å; V302-I384 HydrophobicContact CG2-CG2 4.16Å; A360-I384 HydrophobicContact CB-CG2 3.59Å; G380-I384 WeakPolarHBondContact O-CD1 3.27Å; F381-I384 HydrophobicContact CD1-CD1 4.42Å; F381-I384 PolarHBondContact O-N 3.44Å; F381-I384 VanDerWaalsContact O-N 3.16Å; D382-I384 VanDerWaalsContact C-N 3.32Å; D382-I384 PolarHBondContact O-N 2.89Å; I384-D386 VanDerWaalsContact C-N 3.27Å; I384-D386 PolarHBondContact O-N 2.86Å; I384-I387 PolarHBondContact O-N 3.49Å; I384-L388 HydrophobicContact CG2-CD1 3.95Å; I384-L388 WeakPolarHBondContact O-CG 3.13Å; I384-L388 PolarHBondContact O-N 3.32Å
385	V	80.2	Confident	64.2	Low	7 Å²	7	78.2 Å²	78.2	4%	0.042	40%	0.396	C	S	.	.	H	α-helix	trans	-61.5	-41.5	177.6	170.8	0	0	0	0	110.2	A360 Y361 F381 D382 L388 K389	A360-V385 HydrophobicContact CB-CG2 4.21Å; Y361-V385 HydrophobicContact CD1-CG2 4.02Å; Y361-V385 HydrophobicContact CE1-CB 4.48Å; Y361-V385 HydrophobicContact CE1-CG1 3.82Å; Y361-V385 HydrophobicContact CE1-CG2 3.84Å; Y361-V385 HydrophobicContact CE2-CG1 4.18Å; Y361-V385 HydrophobicContact CE2-CG2 4.39Å; Y361-V385 HydrophobicContact CG-CG2 4.37Å; Y361-V385 VanDerWaalsContact CZ-CG1 3.48Å; Y361-V385 VanDerWaalsContact OH-CG1 3.25Å; Y361-V385 WeakPolarHBondContact OH-CG1 3.35Å; F381-V385 PolarHBondContact O-N 2.97Å; D382-V385 PolarHBondContact O-N 2.84Å; V385-L388 PolarHBondContact O-N 2.66Å; V385-K389 HydrophobicContact CG1-CD 3.98Å; V385-K389 VanDerWaalsContact CG1-CE 3.47Å; V385-K389 HydrophobicContact CG1-CG 4.47Å; V385-K389 WeakPolarHBondContact O-CB 3.28Å; V385-K389 VanDerWaalsContact O-CG 3.29Å; V385-K389 WeakPolarHBondContact O-CG 3.3Å; V385-K389 PolarHBondContact O-N 2.69Å
386	D	81.2	Confident	65.2	Low	75 Å²	75	73.4 Å²	73.4	40%	0.401	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-44.5	176.4	-79.6	-7.3	0	0	0	112.2	D382 P383 I384 L388 K389 R390	D382-D386 WeakPolarHBondContact O-CB 3.15Å; D382-D386 PolarHBondContact O-N 2.88Å; P383-D386 PolarHBondContact O-N 2.83Å; I384-D386 VanDerWaalsContact C-N 3.27Å; I384-D386 PolarHBondContact O-N 2.86Å; D386-L388 PolarHBondContact O-N 3.1Å; D386-K389 PolarHBondContact O-N 2.89Å; D386-R390 WeakPolarHBondContact O-CB 3.49Å; D386-R390 VanDerWaalsContact O-CG 3.22Å; D386-R390 WeakPolarHBondContact O-CG 3.43Å; D386-R390 PolarHBondContact O-N 2.81Å
387	I	84	Confident	66.2	Low	28 Å²	28	71.2 Å²	71.2	14%	0.144	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-50.5	175.2	-71.7	160.1	0	0	0	110.3	V302 E303 L306 P383 I384 R390 R391	V302-I387 HydrophobicContact CG1-CG2 4.19Å; E303-I387 HydrophobicContact CB-CD1 4.32Å; L306-I387 HydrophobicContact CD1-CG2 3.46Å; L306-I387 VanDerWaalsContact CD1-CG2 3.46Å; P383-I387 WeakPolarHBondContact O-CB 3.43Å; P383-I387 WeakPolarHBondContact O-CD1 3.2Å; P383-I387 WeakPolarHBondContact O-CG1 3.31Å; P383-I387 PolarHBondContact O-N 2.98Å; I384-I387 PolarHBondContact O-N 3.49Å; I387-R390 PolarHBondContact O-N 2.83Å; I387-R391 WeakPolarHBondContact O-CG 3.48Å; I387-R391 PolarHBondContact O-N 2.89Å; I387-R391 VanDerWaalsContact O-N 3.08Å
388	L	83	Confident	67.3	Low	6 Å²	6	70.8 Å²	70.8	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-65	-42.1	-178.5	-69.4	169.4	0	0	0	112.2	V302 L306 P312 I357 I384 V385 D386 R391 K392	V302-L388 HydrophobicContact CG1-CD2 4.4Å; V302-L388 HydrophobicContact CG1-CG 4.48Å; L306-L388 HydrophobicContact CD1-CD2 3.98Å; L306-L388 HydrophobicContact CD2-CD2 4.36Å; P312-L388 HydrophobicContact CB-CD2 3.95Å; I357-L388 HydrophobicContact CB-CB 4.44Å; I357-L388 HydrophobicContact CB-CD1 3.81Å; I357-L388 HydrophobicContact CD1-CB 4.24Å; I357-L388 HydrophobicContact CG1-CB 4.32Å; I357-L388 HydrophobicContact CG1-CD1 4.07Å; I384-L388 HydrophobicContact CG2-CD1 3.95Å; I384-L388 WeakPolarHBondContact O-CG 3.13Å; I384-L388 PolarHBondContact O-N 3.32Å; V385-L388 PolarHBondContact O-N 2.66Å; D386-L388 PolarHBondContact O-N 3.1Å; L388-R391 PolarHBondContact O-N 2.77Å; L388-K392 WeakPolarHBondContact O-CB 3.27Å; L388-K392 PolarHBondContact O-N 3.19Å
389	K	80.6	Confident	67.6	Low	101 Å²	101	68.2 Å²	68.2	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-63.4	-43.6	175.8	-76.6	174.9	-177.7	167.2	0	112.1	I357 Y361 V385 D386 K392 A393	I357-K389 HydrophobicContact CD1-CG 4.02Å; Y361-K389 WeakPolarHBondContact OH-CE 3.47Å; Y361-K389 PolarHBondContact OH-NZ 3.24Å; V385-K389 HydrophobicContact CG1-CD 3.98Å; V385-K389 VanDerWaalsContact CG1-CE 3.47Å; V385-K389 HydrophobicContact CG1-CG 4.47Å; V385-K389 WeakPolarHBondContact O-CB 3.28Å; V385-K389 VanDerWaalsContact O-CG 3.29Å; V385-K389 WeakPolarHBondContact O-CG 3.3Å; V385-K389 PolarHBondContact O-N 2.69Å; D386-K389 PolarHBondContact O-N 2.89Å; K389-K392 PolarHBondContact O-N 3.4Å; K389-A393 PolarHBondContact O-N 3.45Å
390	R	79.5	Confident	67.4	Low	177 Å²	177	69.3 Å²	69.3	67%	0.668	38%	0.376	S	S	*	.	H	α-helix	trans	-60.9	-45	178.3	-74.5	175	-168.7	-169.7	6.6	111.2	D386 I387 A393 V394	D386-R390 WeakPolarHBondContact O-CB 3.49Å; D386-R390 VanDerWaalsContact O-CG 3.22Å; D386-R390 WeakPolarHBondContact O-CG 3.43Å; D386-R390 PolarHBondContact O-N 2.81Å; I387-R390 PolarHBondContact O-N 2.83Å; R390-A393 PolarHBondContact O-N 3.31Å; R390-V394 WeakPolarHBondContact O-CG2 3.3Å; R390-V394 PolarHBondContact O-N 2.89Å; R390-V394 VanDerWaalsContact O-N 3.14Å
391	R	76.2	Confident	67.4	Low	94 Å²	94	76.8 Å²	76.8	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-42.4	177.5	-71.6	-75.4	178.2	164.2	-1.8	112.5	L306 D307 I387 L388 A393 V394 Q395	L306-R391 HydrophobicContact CD1-CG 4.28Å; D307-R391 IonicContact OD1-CZ 3.8Å; D307-R391 IonicContact OD1-NH1 3.61Å; D307-R391 IonicContact OD1-NH2 3.52Å; D307-R391 PolarHBondContact OD1-NH2 3.17Å; I387-R391 WeakPolarHBondContact O-CG 3.48Å; I387-R391 PolarHBondContact O-N 2.89Å; I387-R391 VanDerWaalsContact O-N 3.08Å; L388-R391 PolarHBondContact O-N 2.77Å; R391-A393 VanDerWaalsContact C-N 3.33Å; R391-A393 PolarHBondContact O-N 2.91Å; R391-V394 PolarHBondContact O-N 3.47Å; R391-Q395 PolarHBondContact O-N 3.3Å
392	K	70.6	Confident	66.5	Low	110 Å²	110	80.4 Å²	80.4	48%	0.478	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-40	176.3	-168.1	169.5	-171.8	120.8	0	112.4	D313 L388 K389 V394 Q395 S396	D313-K392 IonicContact OD1-NZ 3.17Å; D313-K392 PolarHBondContact OD1-NZ 2.93Å; L388-K392 WeakPolarHBondContact O-CB 3.27Å; L388-K392 PolarHBondContact O-N 3.19Å; K389-K392 PolarHBondContact O-N 3.4Å; K392-V394 PolarHBondContact O-N 3.41Å; K392-Q395 PolarHBondContact O-N 3.44Å; K392-S396 PolarHBondContact O-N 3.32Å; K392-S396 PolarHBondContact O-OG 3.31Å
393	A	65.4	Low	64.9	Low	57 Å²	57	79.6 Å²	79.6	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-61.6	-43.2	174.3	0	0	0	0	0	111.8	K389 R390 R391 S396 A397	K389-A393 PolarHBondContact O-N 3.45Å; R390-A393 PolarHBondContact O-N 3.31Å; R391-A393 VanDerWaalsContact C-N 3.33Å; R391-A393 PolarHBondContact O-N 2.91Å; A393-S396 PolarHBondContact O-N 3.38Å; A393-S396 PolarHBondContact O-OG 2.88Å; A393-A397 WeakPolarHBondContact O-CB 3.49Å; A393-A397 PolarHBondContact O-N 3.28Å
394	V	68.2	Low	62.7	Low	100 Å²	100	87.9 Å²	87.9	61%	0.606	46%	0.461	S	S	*	.	H	α-helix	trans	-63.9	-43.4	177.3	175.2	0	0	0	0	112	R390 R391 K392 A397 A398	R390-V394 WeakPolarHBondContact O-CG2 3.3Å; R390-V394 PolarHBondContact O-N 2.89Å; R390-V394 VanDerWaalsContact O-N 3.14Å; R391-V394 PolarHBondContact O-N 3.47Å; K392-V394 PolarHBondContact O-N 3.41Å; V394-A397 PolarHBondContact O-N 3.04Å; V394-A398 WeakPolarHBondContact O-CB 3.44Å; V394-A398 PolarHBondContact O-N 2.9Å
395	Q	61.6	Low	60.4	Low	85 Å²	85	92.6 Å²	92.6	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-43.2	176.7	-71.6	174.4	-4.3	0	0	112	R391 K392 A397 A398 A399	R391-Q395 PolarHBondContact O-N 3.3Å; K392-Q395 PolarHBondContact O-N 3.44Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-A397 PolarHBondContact O-N 2.79Å; Q395-A398 PolarHBondContact O-N 3.28Å; Q395-A399 PolarHBondContact O-N 2.59Å
396	S	55.7	Low	58.2	Low	72 Å²	72	101.5 Å²	101.5	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-38.9	176.7	71.7	0	0	0	0	112.6	K392 A393 A399 F400	K392-S396 PolarHBondContact O-N 3.32Å; K392-S396 PolarHBondContact O-OG 3.31Å; A393-S396 PolarHBondContact O-N 3.38Å; A393-S396 PolarHBondContact O-OG 2.88Å; S396-A399 PolarHBondContact O-N 2.73Å; S396-F400 PolarHBondContact O-N 2.76Å; S396-F400 VanDerWaalsContact O-N 3.08Å
397	A	54.7	Low	55.8	Low	54 Å²	54	109.6 Å²	109.6	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-69.7	-32.8	176.3	0	0	0	0	0	112.5	A393 V394 Q395 K401	A393-A397 WeakPolarHBondContact O-CB 3.49Å; A393-A397 PolarHBondContact O-N 3.28Å; V394-A397 PolarHBondContact O-N 3.04Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-A397 PolarHBondContact O-N 2.79Å; A397-K401 WeakPolarHBondContact O-CG 3.39Å; A397-K401 PolarHBondContact O-N 3.46Å
398	A	56.1	Low	53.4	Low	52 Å²	52	115.7 Å²	115.7	43%	0.43	60%	0.6	S	S	.	*	H	α-helix	trans	-70.7	-42.8	173.8	0	0	0	0	0	111.9	V394 Q395 F400 K401 T402	V394-A398 WeakPolarHBondContact O-CB 3.44Å; V394-A398 PolarHBondContact O-N 2.9Å; Q395-A398 PolarHBondContact O-N 3.28Å; A398-F400 VanDerWaalsContact C-N 3.31Å; A398-F400 PolarHBondContact O-N 3.11Å; A398-K401 PolarHBondContact O-N 2.78Å; A398-T402 PolarHBondContact O-N 2.93Å; A398-T402 VanDerWaalsContact O-N 3.14Å; A398-T402 PolarHBondContact O-OG1 2.84Å
399	A	44	Very low	51	Low	45 Å²	45	120 Å²	120	37%	0.372	63%	0.63	S	S	.	*	H	α-helix	trans	-62	-37.2	176	0	0	0	0	0	112.4	Q395 S396 K401 T402 G403	Q395-A399 PolarHBondContact O-N 2.59Å; S396-A399 PolarHBondContact O-N 2.73Å; A399-K401 PolarHBondContact O-N 3.47Å; A399-T402 PolarHBondContact O-N 3.27Å; A399-T402 PolarHBondContact O-OG1 2.98Å; A399-G403 PolarHBondContact O-N 3.23Å
400	F	39.9	Very low	48.5	Very low	191 Å²	191	120.8 Å²	120.8	84%	0.838	64%	0.643	S	S	*	*	H	α-helix	trans	-66	-25.4	174.6	-142.6	-88.8	0	0	0	112.9	S396 A398	S396-F400 PolarHBondContact O-N 2.76Å; S396-F400 VanDerWaalsContact O-N 3.08Å; A398-F400 VanDerWaalsContact C-N 3.31Å; A398-F400 PolarHBondContact O-N 3.11Å
401	K	48.6	Very low	46.2	Very low	189 Å²	189	122.1 Å²	122.1	82%	0.822	66%	0.655	S	S	*	*	H	α-helix	trans	-87.2	-17.8	176.4	-73.6	-179.7	178.7	-178.7	0	113.7	A397 A398 A399	A397-K401 WeakPolarHBondContact O-CG 3.39Å; A397-K401 PolarHBondContact O-N 3.46Å; A398-K401 PolarHBondContact O-N 2.78Å; A399-K401 PolarHBondContact O-N 3.47Å
402	T	43.2	Very low	44.1	Very low	103 Å²	103	124 Å²	124	63%	0.632	68%	0.676	S	S	*	*	H	α-helix	trans	-106	5	-175.9	55.1	0	0	0	0	114.8	A398 A399 R404	A398-T402 PolarHBondContact O-N 2.93Å; A398-T402 VanDerWaalsContact O-N 3.14Å; A398-T402 PolarHBondContact O-OG1 2.84Å; A399-T402 PolarHBondContact O-N 3.27Å; A399-T402 PolarHBondContact O-OG1 2.98Å; T402-R404 VanDerWaalsContact C-N 3.28Å; T402-R404 PolarHBondContact O-N 3.29Å; T402-R404 VanDerWaalsContact O-N 3.15Å
403	G	34.7	Very low	42.3	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	17.8	161	0	0	0	0	0	116.4	A399	A399-G403 PolarHBondContact O-N 3.23Å
404	R	29.2	Very low	40.6	Very low	225 Å²	225	127.8 Å²	127.8	85%	0.849	70%	0.696	S	S	*	*			trans	-126	96.7	176.4	-80.3	-178.3	174.3	165.3	-1.9	110.7	T402	T402-R404 VanDerWaalsContact C-N 3.28Å; T402-R404 PolarHBondContact O-N 3.29Å; T402-R404 VanDerWaalsContact O-N 3.15Å
405	A	32.4	Very low	38.8	Very low	100 Å²	100	128.9 Å²	128.9	83%	0.826	71%	0.705	S	S	*	*			trans	-162.8	125.1	145.8	0	0	0	0	0	108.8
406	E	33.9	Very low	37.3	Very low	194 Å²	194	128.4 Å²	128.4	91%	0.907	71%	0.711	S	S	*	*			trans	-67	155.1	-169.7	-72.1	159.1	142.2	0	0	113.7	D408	E406-D408 PolarHBondContact O-N 2.84Å
407	R	30.9	Very low	36.3	Very low	245 Å²	245	131.8 Å²	131.8	93%	0.925	73%	0.731	S	S	*	*			trans	-67.6	122.3	173.7	-68.1	172.6	172.7	173.1	-2.8	109.4
408	D	34.2	Very low	35.5	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	75%	0.752	S	S	*	*			trans	-145	154.1	142.8	-124.6	-23.5	0	0	0	113.4	E406	E406-D408 PolarHBondContact O-N 2.84Å
409	S	31.2	Very low	34.3	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	75%	0.746	S	S	*	*			trans	-98.8	140.5	-136.7	52.8	0	0	0	0	116
410	T	28.1	Very low	33.7	Very low	117 Å²	117	143.8 Å²	143.8	72%	0.718	77%	0.771	S	S	*	*			trans	11.6	124.2	150.5	57.9	0	0	0	0	121.2
411	F	30.9	Very low	33.4	Very low	206 Å²	206	141.8 Å²	141.8	90%	0.904	77%	0.768	S	S	*	*			trans	-133	103.4	138.9	-116	-89.7	0	0	0	110.4
412	V	33.2	Very low	32.7	Very low	134 Å²	134	141 Å²	141	81%	0.812	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-94.4	126.5	166.4	173.9	0	0	0	0	107.6
413	T	32.2	Very low	32.4	Very low	86 Å²	86	140.9 Å²	140.9	53%	0.528	76%	0.763	S	S	.	*	P	Polyproline II helix	trans	-87.7	124.8	-178	44	0	0	0	0	112.4
414	L	29.5	Very low	33	Very low	160 Å²	160	141.2 Å²	141.2	84%	0.838	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-87.3	138.8	161.6	-76.4	164	0	0	0	110.3
415	P	30.5	Very low	34.7	Very low	123 Å²	123	133.8 Å²	133.8	80%	0.799	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-91.1	119.2	-178.9	32.7	-28.9	0	0	0	111.8
416	S	31.2	Very low	36.4	Very low	75 Å²	75	135.7 Å²	135.7	52%	0.524	72%	0.717	S	S	.	*	P	Polyproline II helix	trans	-91.7	142.1	166.3	62.7	0	0	0	0	111.1	L418 G419	S416-L418 PolarHBondContact O-N 3.1Å; S416-L418 VanDerWaalsContact O-N 3.09Å; S416-G419 PolarHBondContact O-N 2.74Å; S416-G419 WeakPolarHBondContact OG-CA 3.39Å; S416-G419 PolarHBondContact OG-N 3.01Å
417	P	34.5	Very low	38	Very low	142 Å²	142	130.1 Å²	130.1	92%	0.922	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-8.1	-178.4	-21.6	33.1	0	0	0	115.9
418	L	37.6	Very low	39.8	Very low	167 Å²	167	124.6 Å²	124.6	87%	0.874	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	4.8	172.6	-82.5	151.9	0	0	0	112.4	S416 K420	S416-L418 PolarHBondContact O-N 3.1Å; S416-L418 VanDerWaalsContact O-N 3.09Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.1Å
419	G	30.4	Very low	41.6	Very low	30 Å²	30	118.4 Å²	118.4	31%	0.309	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	19.8	-171.4	0	0	0	0	0	116.3	S416	S416-G419 PolarHBondContact O-N 2.74Å; S416-G419 WeakPolarHBondContact OG-CA 3.39Å; S416-G419 PolarHBondContact OG-N 3.01Å
420	K	32	Very low	43.7	Very low	207 Å²	207	115.4 Å²	115.4	90%	0.9	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	1.7	177.9	-83.9	-173.1	178.9	177.6	0	114.8	L418 R422	L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.1Å; K420-R422 PolarHBondContact O-N 2.86Å
421	L	33	Very low	46.2	Very low	148 Å²	148	110.6 Å²	110.6	78%	0.775	59%	0.59	S	S	*	*			trans	-79	52.6	163.8	-90.4	155.3	0	0	0	110.4	S423	L421-S423 PolarHBondContact O-N 3.42Å
422	R	33.5	Very low	48.6	Very low	172 Å²	172	104.3 Å²	104.3	65%	0.649	57%	0.565	S	S	*	*	S	Bend	trans	-77.3	101.3	166.3	-71.3	-170.6	-179.8	-154.1	0.2	107.1	K420	K420-R422 PolarHBondContact O-N 2.86Å
423	S	36.6	Very low	51	Low	101 Å²	101	104.4 Å²	104.4	71%	0.706	56%	0.557	S	S	*	*			trans	49	81.8	168.8	167.7	0	0	0	0	113.7	L421 T425	L421-S423 PolarHBondContact O-N 3.42Å; S423-T425 PolarHBondContact O-N 3.42Å
424	I	47.4	Very low	53.6	Low	81 Å²	81	100.5 Å²	100.5	42%	0.415	53%	0.532	S	S	.	.			trans	-63.8	120.5	158.8	-166.8	165.5	0	0	0	107.3	K428 A429 L432	I424-K428 HydrophobicContact CD1-CG 4.4Å; I424-K428 HydrophobicContact CG1-CB 3.91Å; I424-K428 HydrophobicContact CG1-CD 4.31Å; I424-K428 HydrophobicContact CG1-CG 4Å; I424-A429 HydrophobicContact CD1-CB 4.01Å; I424-A429 HydrophobicContact CG1-CB 4.13Å; I424-L432 HydrophobicContact CD1-CD1 3.72Å
425	T	65	Low	56.3	Low	70 Å²	70	96.5 Å²	96.5	43%	0.429	51%	0.506	S	S	.	.			trans	-66	150.4	173.8	58	0	0	0	0	108.8	S423 E427 K428 A429	S423-T425 PolarHBondContact O-N 3.42Å; T425-E427 PolarHBondContact O-N 3.19Å; T425-K428 PolarHBondContact O-N 2.9Å; T425-K428 VanDerWaalsContact OG1-CB 3.27Å; T425-K428 WeakPolarHBondContact OG1-CB 3.44Å; T425-K428 PolarHBondContact OG1-N 2.67Å; T425-K428 VanDerWaalsContact OG1-N 3.14Å; T425-A429 PolarHBondContact O-N 3.31Å
426	K	67.8	Low	58.9	Low	140 Å²	140	97.8 Å²	97.8	61%	0.609	51%	0.506	S	S	*	.	H	α-helix	trans	-49.5	-44.4	173.9	-171.8	-166.6	178.7	-141.9	0	110.6	K428 A429 E430 E490	K426-K428 PolarHBondContact O-N 3.34Å; K426-A429 WeakPolarHBondContact O-CB 3.34Å; K426-A429 PolarHBondContact O-N 3.12Å; K426-A429 VanDerWaalsContact O-N 3.17Å; K426-E430 WeakPolarHBondContact CE-OE1 3.06Å; K426-E430 WeakPolarHBondContact CG-OE1 3.37Å; K426-E430 IonicContact NZ-OE1 2.75Å; K426-E430 PolarHBondContact NZ-OE1 3.37Å; K426-E430 VanDerWaalsContact NZ-OE1 3.17Å; K426-E430 WeakPolarHBondContact O-CG 3.45Å; K426-E430 PolarHBondContact O-N 2.73Å; K426-E490 IonicContact NZ-OE2 3.43Å
427	E	67.3	Low	61.6	Low	76 Å²	76	98 Å²	98	36%	0.355	50%	0.501	S	S	.	.	H	α-helix	trans	-57.9	-46.1	175.4	-65	169.8	-175.6	0	0	113	T425 A429 E430 V431 V489	T425-E427 PolarHBondContact O-N 3.19Å; E427-A429 VanDerWaalsContact C-N 3.32Å; E427-A429 PolarHBondContact O-N 2.79Å; E427-E430 PolarHBondContact O-N 2.65Å; E427-V431 VanDerWaalsContact O-CG2 3.26Å; E427-V431 WeakPolarHBondContact O-CG2 3.29Å; E427-V431 PolarHBondContact O-N 3.25Å; E427-V489 HydrophobicContact CB-CB 4.46Å; E427-V489 HydrophobicContact CB-CG1 4.05Å; E427-V489 HydrophobicContact CG-CB 4.28Å; E427-V489 HydrophobicContact CG-CG1 4.36Å
428	K	69.5	Low	64.1	Low	129 Å²	129	91.5 Å²	91.5	56%	0.561	46%	0.459	S	S	*	.	H	α-helix	trans	-68.5	-33.5	177.5	-172.8	171.5	-176.7	176.4	0	111.7	I424 T425 K426 L432	I424-K428 HydrophobicContact CD1-CG 4.4Å; I424-K428 HydrophobicContact CG1-CB 3.91Å; I424-K428 HydrophobicContact CG1-CD 4.31Å; I424-K428 HydrophobicContact CG1-CG 4Å; T425-K428 PolarHBondContact O-N 2.9Å; T425-K428 VanDerWaalsContact OG1-CB 3.27Å; T425-K428 WeakPolarHBondContact OG1-CB 3.44Å; T425-K428 PolarHBondContact OG1-N 2.67Å; T425-K428 VanDerWaalsContact OG1-N 3.14Å; K426-K428 PolarHBondContact O-N 3.34Å; K428-L432 HydrophobicContact CG-CD1 4.21Å; K428-L432 WeakPolarHBondContact O-CB 3.43Å; K428-L432 VanDerWaalsContact O-CG 3.25Å; K428-L432 WeakPolarHBondContact O-CG 3.42Å; K428-L432 PolarHBondContact O-N 3.26Å
429	A	71.8	Confident	66.3	Low	26 Å²	26	84.9 Å²	84.9	22%	0.215	43%	0.431	C	S	.	.	H	α-helix	trans	-66.4	-44.3	173	0	0	0	0	0	111.4	I424 T425 K426 E427 L432 Q433	I424-A429 HydrophobicContact CD1-CB 4.01Å; I424-A429 HydrophobicContact CG1-CB 4.13Å; T425-A429 PolarHBondContact O-N 3.31Å; K426-A429 WeakPolarHBondContact O-CB 3.34Å; K426-A429 PolarHBondContact O-N 3.12Å; K426-A429 VanDerWaalsContact O-N 3.17Å; E427-A429 VanDerWaalsContact C-N 3.32Å; E427-A429 PolarHBondContact O-N 2.79Å; A429-L432 PolarHBondContact O-N 3.36Å; A429-Q433 WeakPolarHBondContact O-CB 3.43Å; A429-Q433 VanDerWaalsContact O-CG 3.27Å; A429-Q433 WeakPolarHBondContact O-CG 3.35Å; A429-Q433 PolarHBondContact O-N 3.35Å
430	E	75.1	Confident	68.9	Low	34 Å²	34	89.9 Å²	89.9	16%	0.159	45%	0.45	C	S	.	.	H	α-helix	trans	-61.2	-46	176.3	-74.3	171.2	-173.2	0	0	111.8	K426 E427 L432 Q433 L434	K426-E430 WeakPolarHBondContact CE-OE1 3.06Å; K426-E430 WeakPolarHBondContact CG-OE1 3.37Å; K426-E430 IonicContact NZ-OE1 2.75Å; K426-E430 PolarHBondContact NZ-OE1 3.37Å; K426-E430 VanDerWaalsContact NZ-OE1 3.17Å; K426-E430 WeakPolarHBondContact O-CG 3.45Å; K426-E430 PolarHBondContact O-N 2.73Å; E427-E430 PolarHBondContact O-N 2.65Å; E430-L432 VanDerWaalsContact C-N 3.35Å; E430-L432 PolarHBondContact O-N 3.34Å; E430-Q433 PolarHBondContact O-N 3.46Å; E430-L434 WeakPolarHBondContact O-CB 3.16Å; E430-L434 PolarHBondContact O-N 3.18Å
431	V	82	Confident	71.6	Confident	16 Å²	16	86.5 Å²	86.5	10%	0.097	44%	0.438	C	S	.	.	H	α-helix	trans	-65	-38.1	177.4	175.2	0	0	0	0	111.6	E427 L434 R435 V489 F521	E427-V431 VanDerWaalsContact O-CG2 3.26Å; E427-V431 WeakPolarHBondContact O-CG2 3.29Å; E427-V431 PolarHBondContact O-N 3.25Å; V431-L434 PolarHBondContact O-N 3.38Å; V431-R435 WeakPolarHBondContact O-CB 3.33Å; V431-R435 PolarHBondContact O-N 3.07Å; V431-V489 HydrophobicContact CG2-CG1 3.73Å; V431-F521 HydrophobicContact CB-CZ 4.38Å; V431-F521 HydrophobicContact CG1-CE1 4.3Å; V431-F521 HydrophobicContact CG1-CZ 3.88Å; V431-F521 HydrophobicContact CG2-CE2 3.83Å; V431-F521 HydrophobicContact CG2-CZ 3.54Å
432	L	80.7	Confident	74.4	Confident	74 Å²	74	82 Å²	82	39%	0.387	41%	0.413	S	S	.	.	H	α-helix	trans	-70.5	-37.7	175.9	-75.3	172.3	0	0	0	112.4	I424 K428 A429 E430 L434 R435 N436	I424-L432 HydrophobicContact CD1-CD1 3.72Å; K428-L432 HydrophobicContact CG-CD1 4.21Å; K428-L432 WeakPolarHBondContact O-CB 3.43Å; K428-L432 VanDerWaalsContact O-CG 3.25Å; K428-L432 WeakPolarHBondContact O-CG 3.42Å; K428-L432 PolarHBondContact O-N 3.26Å; A429-L432 PolarHBondContact O-N 3.36Å; E430-L432 VanDerWaalsContact C-N 3.35Å; E430-L432 PolarHBondContact O-N 3.34Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-R435 PolarHBondContact O-N 3.34Å; L432-N436 WeakPolarHBondContact O-CB 3.49Å; L432-N436 PolarHBondContact O-N 2.96Å
433	Q	82.5	Confident	77.1	Confident	136 Å²	136	76.3 Å²	76.3	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-62.2	-43.9	171.7	-76.3	175.2	0.8	0	0	111	A429 E430 N436 L437	A429-Q433 WeakPolarHBondContact O-CB 3.43Å; A429-Q433 VanDerWaalsContact O-CG 3.27Å; A429-Q433 WeakPolarHBondContact O-CG 3.35Å; A429-Q433 PolarHBondContact O-N 3.35Å; E430-Q433 PolarHBondContact O-N 3.46Å; Q433-N436 PolarHBondContact O-N 3.25Å; Q433-L437 WeakPolarHBondContact O-CB 3.48Å; Q433-L437 PolarHBondContact O-N 3.49Å
434	L	86.6	Confident	79.8	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-44.5	175.8	-178.2	62	0	0	0	112.2	E430 V431 L432 N436 L437 L438 F492 C493 V496 S497 L515	E430-L434 WeakPolarHBondContact O-CB 3.16Å; E430-L434 PolarHBondContact O-N 3.18Å; V431-L434 PolarHBondContact O-N 3.38Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L434-N436 PolarHBondContact O-N 2.94Å; L434-L437 HydrophobicContact CD1-CD2 4.36Å; L434-L437 WeakPolarHBondContact O-CB 3.4Å; L434-L437 PolarHBondContact O-N 3.47Å; L434-L437 VanDerWaalsContact O-N 3.1Å; L434-L438 HydrophobicContact CD1-CD1 4.2Å; L434-L438 HydrophobicContact CD1-CG 4.16Å; L434-L438 HydrophobicContact CG-CD1 4.16Å; L434-L438 HydrophobicContact CG-CG 4.46Å; L434-L438 WeakPolarHBondContact O-CG 3.22Å; L434-L438 PolarHBondContact O-N 2.99Å; L434-F492 HydrophobicContact CD2-CE1 4.42Å; L434-C493 HydrophobicContact CD2-CB 4.02Å; L434-V496 HydrophobicContact CD1-CB 4.16Å; L434-V496 HydrophobicContact CD1-CG1 3.82Å; L434-V496 HydrophobicContact CD2-CB 3.96Å; L434-V496 HydrophobicContact CD2-CG1 3.99Å; L434-V496 HydrophobicContact CD2-CG2 4.48Å; L434-V496 HydrophobicContact CG-CG1 4.26Å; L434-S497 WeakPolarHBondContact CD1-OG 3.42Å; L434-L515 HydrophobicContact CD2-CD2 3.8Å; L434-L515 HydrophobicContact CG-CD2 4.42Å
435	R	87	Confident	81.8	Confident	77 Å²	77	72.6 Å²	72.6	29%	0.291	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-36.5	175	-177	-179.1	-86.5	136.5	-3.3	111.5	V431 L432 L438 H443 L515 N516	V431-R435 WeakPolarHBondContact O-CB 3.33Å; V431-R435 PolarHBondContact O-N 3.07Å; L432-R435 PolarHBondContact O-N 3.34Å; R435-L438 VanDerWaalsContact O-O 3.05Å; R435-H443 VanDerWaalsContact CG-CE1 3.45Å; R435-H443 WeakPolarHBondContact CG-CE1 3.5Å; R435-H443 PolarHBondContact O-CE1 3.34Å; R435-H443 VanDerWaalsContact O-CE1 3.26Å; R435-H443 PolarHBondContact O-NE2 3.38Å; R435-L515 HydrophobicContact CB-CD1 4.04Å; R435-L515 HydrophobicContact CG-CD1 4.46Å; R435-L515 PolarHBondContact NH2-O 3.05Å; R435-L515 VanDerWaalsContact NH2-O 3.12Å; R435-N516 PolarHBondContact NH2-OD1 3.24Å; R435-N516 VanDerWaalsContact NH2-OD1 3.09Å
436	N	85.4	Confident	82.8	Confident	149 Å²	149	70.2 Å²	70.2	80%	0.797	35%	0.347	S	S	*	.	H	α-helix	trans	-76	-30.2	176.5	-167.7	52.3	0	0	0	113.1	L432 Q433 L434	L432-N436 WeakPolarHBondContact O-CB 3.49Å; L432-N436 PolarHBondContact O-N 2.96Å; Q433-N436 PolarHBondContact O-N 3.25Å; L434-N436 PolarHBondContact O-N 2.94Å
437	L	86.9	Confident	83.9	Confident	79 Å²	79	68.2 Å²	68.2	41%	0.414	36%	0.357	S	S	.	.	H	α-helix	trans	-70.9	-37.7	175.7	-177.6	71.5	0	0	0	111.7	Q433 L434	Q433-L437 WeakPolarHBondContact O-CB 3.48Å; Q433-L437 PolarHBondContact O-N 3.49Å; L434-L437 HydrophobicContact CD1-CD2 4.36Å; L434-L437 WeakPolarHBondContact O-CB 3.4Å; L434-L437 PolarHBondContact O-N 3.47Å; L434-L437 VanDerWaalsContact O-N 3.1Å
438	L	88.1	Confident	85	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.037	36%	0.361	C	S	.	.	S	Bend	trans	-83.2	126.9	179.8	-65.7	-179.9	0	0	0	110.9	L434 R435 H442 H443 V496 F510 A513 L515	L434-L438 HydrophobicContact CD1-CD1 4.2Å; L434-L438 HydrophobicContact CD1-CG 4.16Å; L434-L438 HydrophobicContact CG-CD1 4.16Å; L434-L438 HydrophobicContact CG-CG 4.46Å; L434-L438 WeakPolarHBondContact O-CG 3.22Å; L434-L438 PolarHBondContact O-N 2.99Å; R435-L438 VanDerWaalsContact O-O 3.05Å; L438-H442 HydrophobicContact CB-CB 4.39Å; L438-H443 PolarHBondContact O-NE2 3.39Å; L438-V496 HydrophobicContact CD1-CG1 3.59Å; L438-V496 HydrophobicContact CD2-CG1 4.27Å; L438-V496 HydrophobicContact CG-CG1 4.39Å; L438-F510 HydrophobicContact CD1-CZ 4.24Å; L438-F510 HydrophobicContact CD2-CE1 3.9Å; L438-F510 HydrophobicContact CD2-CZ 4.04Å; L438-A513 HydrophobicContact CD1-CB 4.14Å; L438-L515 HydrophobicContact CD1-CD1 3.88Å
439	G	83.9	Confident	86.1	Confident	28 Å²	28	63.4 Å²	63.4	29%	0.289	34%	0.337	S	S	.	.			trans	-62.3	151.6	169.4	0	0	0	0	0	112	Q441 H442	G439-Q441 PolarHBondContact O-N 3.24Å; G439-H442 WeakPolarHBondContact O-CB 3.47Å; G439-H442 PolarHBondContact O-N 3.39Å
440	N	85.5	Confident	87.1	Confident	134 Å²	134	67.4 Å²	67.4	72%	0.717	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-53.4	-29.4	-175.8	-68.7	-12.9	0	0	0	113.6	H442 H443	N440-H442 PolarHBondContact O-N 2.93Å; N440-H443 PolarHBondContact O-N 2.89Å; N440-H443 VanDerWaalsContact O-N 3.16Å
441	Q	88.3	Confident	87.9	Confident	136 Å²	136	69.1 Å²	69.1	64%	0.636	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.1	176.6	68.8	-79.2	-4.5	0	0	114.4	G439	G439-Q441 PolarHBondContact O-N 3.24Å
442	H	92.3	Very high	88.2	Confident	55 Å²	55	72.7 Å²	72.7	26%	0.255	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-98.2	-4.7	177.8	-60.5	-63.1	0	0	0	112.7	L438 G439 N440 F510 V511 G512 A513	L438-H442 HydrophobicContact CB-CB 4.39Å; G439-H442 WeakPolarHBondContact O-CB 3.47Å; G439-H442 PolarHBondContact O-N 3.39Å; N440-H442 PolarHBondContact O-N 2.93Å; H442-F510 HydrophobicContact CB-CE1 3.86Å; H442-F510 HydrophobicContact CB-CZ 4.41Å; H442-F510 AromaticContact CG-CE1 3.82Å; H442-F510 AromaticContact ND1-CE1 3.78Å; H442-V511 PolarHBondContact ND1-O 3.17Å; H442-G512 CarbonylContact O-C 3.58Å; H442-G512 VanDerWaalsContact O-CA 3.23Å; H442-G512 WeakPolarHBondContact O-CA 3.22Å; H442-A513 PolarHBondContact O-N 3.12Å
443	H	90	Very high	88.7	Confident	51 Å²	51	74.5 Å²	74.5	24%	0.236	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.4	174.3	-63.9	-178.1	0	0	0	107.9	R435 L438 N440	R435-H443 VanDerWaalsContact CG-CE1 3.45Å; R435-H443 WeakPolarHBondContact CG-CE1 3.5Å; R435-H443 PolarHBondContact O-CE1 3.34Å; R435-H443 VanDerWaalsContact O-CE1 3.26Å; R435-H443 PolarHBondContact O-NE2 3.38Å; L438-H443 PolarHBondContact O-NE2 3.39Å; N440-H443 PolarHBondContact O-N 2.89Å; N440-H443 VanDerWaalsContact O-N 3.16Å
444	M	91.6	Very high	89	Confident	4 Å²	4	71 Å²	71	2%	0.02	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.7	-176.9	-61.3	177.1	62.2	0	0	110	I449 Y468 V511 A513 C514 V524	M444-I449 HydrophobicContact CE-CD1 3.92Å; M444-I449 HydrophobicContact CE-CG1 4.05Å; M444-Y468 HydrophobicContact CE-CD1 3.34Å; M444-Y468 HydrophobicContact CE-CD2 3.42Å; M444-Y468 VanDerWaalsContact CE-CD2 3.42Å; M444-Y468 HydrophobicContact CE-CE1 3.44Å; M444-Y468 VanDerWaalsContact CE-CE1 3.44Å; M444-Y468 HydrophobicContact CE-CE2 3.53Å; M444-Y468 HydrophobicContact CE-CG 3.32Å; M444-Y468 HydrophobicContact CG-CE1 4.42Å; M444-Y468 HydrophobicContact SD-CD1 4.35Å; M444-Y468 HydrophobicContact SD-CE1 4.11Å; M444-V511 HydrophobicContact SD-CG1 4.18Å; M444-A513 PolarHBondContact N-O 2.92Å; M444-C514 WeakPolarHBondContact O-CA 3.25Å; M444-V524 HydrophobicContact CE-CB 4.19Å; M444-V524 HydrophobicContact CE-CG1 3.95Å; M444-V524 HydrophobicContact CE-CG2 3.94Å; M444-V524 HydrophobicContact SD-CB 3.88Å; M444-V524 HydrophobicContact SD-CG1 4.15Å; M444-V524 HydrophobicContact SD-CG2 3.87Å
445	E	89.6	Confident	89.1	Confident	100 Å²	100	74 Å²	74	47%	0.467	39%	0.393	S	S	.	.			trans	-111.2	140.2	167.3	-53.2	-164	155.3	0	0	109.6	A447 E448 N516	E445-A447 PolarHBondContact O-N 3Å; E445-A447 VanDerWaalsContact O-N 3.12Å; E445-E448 HydrophobicContact CB-CG 4.18Å; E445-E448 WeakPolarHBondContact O-CB 3.42Å; E445-E448 PolarHBondContact O-N 3.42Å; E445-N516 PolarHBondContact OE1-ND2 2.83Å; E445-N516 VanDerWaalsContact OE1-ND2 3.13Å
446	L	87.8	Confident	88.8	Confident	20 Å²	20	71.9 Å²	71.9	11%	0.105	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.3	179.4	-82.9	-175.1	0	0	0	113.1	E448 I449 F451 V475 C514 Q520 A522	L446-E448 PolarHBondContact O-N 3.31Å; L446-I449 HydrophobicContact CD2-CD1 4.12Å; L446-I449 PolarHBondContact O-N 3.49Å; L446-F451 HydrophobicContact CD2-CE2 4Å; L446-F451 HydrophobicContact CD2-CZ 3.63Å; L446-V475 HydrophobicContact CD2-CG1 4.23Å; L446-C514 HydrophobicContact CD2-CB 4.43Å; L446-C514 HydrophobicContact CG-CB 4.05Å; L446-Q520 HydrophobicContact CD1-CB 3.78Å; L446-Q520 HydrophobicContact CD1-CG 4.42Å; L446-Q520 VanDerWaalsContact CD1-O 3.29Å; L446-Q520 WeakPolarHBondContact CD1-O 3.35Å; L446-Q520 HydrophobicContact CG-CB 4.47Å; L446-A522 HydrophobicContact CD1-CB 4.46Å; L446-A522 HydrophobicContact CD2-CB 3.71Å; L446-A522 HydrophobicContact CG-CB 4.36Å
447	A	89.8	Confident	88.5	Confident	98 Å²	98	69.3 Å²	69.3	81%	0.81	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-68.9	-18.2	175.4	0	0	0	0	0	113.6	E445 I449	E445-A447 PolarHBondContact O-N 3Å; E445-A447 VanDerWaalsContact O-N 3.12Å; A447-I449 VanDerWaalsContact C-N 3.32Å
448	E	90.9	Very high	87.5	Confident	95 Å²	95	67.4 Å²	67.4	44%	0.444	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-84.7	-6.9	177.2	-57.6	-178	158.8	0	0	113	E445 L446 Y468	E445-E448 HydrophobicContact CB-CG 4.18Å; E445-E448 WeakPolarHBondContact O-CB 3.42Å; E445-E448 PolarHBondContact O-N 3.42Å; L446-E448 PolarHBondContact O-N 3.31Å; E448-Y468 HydrophobicContact CB-CD2 4.1Å; E448-Y468 HydrophobicContact CB-CE2 3.64Å; E448-Y468 WeakPolarHBondContact O-CD2 3.32Å; E448-Y468 WeakPolarHBondContact OE2-CE2 3.39Å; E448-Y468 PolarHBondContact OE2-OH 3.49Å
449	I	92.1	Very high	86.4	Confident	9 Å²	9	71.3 Å²	71.3	5%	0.046	42%	0.416	C	S	.	.	S	Bend	trans	-106.1	121.6	-177.4	-49	174.9	0	0	0	109.5	M444 L446 A447 F451 Y468 V473 V475 V524	M444-I449 HydrophobicContact CE-CD1 3.92Å; M444-I449 HydrophobicContact CE-CG1 4.05Å; L446-I449 HydrophobicContact CD2-CD1 4.12Å; L446-I449 PolarHBondContact O-N 3.49Å; A447-I449 VanDerWaalsContact C-N 3.32Å; I449-F451 HydrophobicContact CB-CE2 4.35Å; I449-F451 WeakPolarHBondContact O-CD2 3.43Å; I449-F451 PolarHBondContact O-N 3.49Å; I449-Y468 HydrophobicContact CG1-CD2 4.08Å; I449-V473 HydrophobicContact CG2-CG2 4.2Å; I449-V475 HydrophobicContact CD1-CG1 4.38Å; I449-V475 HydrophobicContact CD1-CG2 4Å; I449-V475 HydrophobicContact CG2-CG2 3.97Å; I449-V524 HydrophobicContact CD1-CG2 3.75Å
450	D	93.9	Very high	85.6	Confident	111 Å²	111	70.6 Å²	70.6	59%	0.594	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	106.9	171.9	-173.4	21.3	0	0	0	109.3	G466 V467	D450-G466 CarbonylContact O-C 3.32Å; D450-G466 WeakPolarHBondContact O-CA 3.31Å; D450-V467 HydrophobicContact CB-CB 4.4Å; D450-V467 PolarHBondContact N-O 3.25Å; D450-V467 PolarHBondContact O-N 3.13Å
451	F	90.2	Very high	85.1	Confident	70 Å²	70	64.2 Å²	64.2	31%	0.307	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.5	-176.1	-81.4	-89.2	0	0	0	111.7	L446 I449 Y464 V475 R477	L446-F451 HydrophobicContact CD2-CE2 4Å; L446-F451 HydrophobicContact CD2-CZ 3.63Å; I449-F451 HydrophobicContact CB-CE2 4.35Å; I449-F451 WeakPolarHBondContact O-CD2 3.43Å; I449-F451 PolarHBondContact O-N 3.49Å; F451-Y464 HydrophobicContact CD1-CD1 4.34Å; F451-Y464 AromaticContact CD1-CG 3.95Å; F451-Y464 HydrophobicContact CD1-CG 3.95Å; F451-Y464 HydrophobicContact CE1-CD2 4.19Å; F451-Y464 HydrophobicContact CE1-CG 4.07Å; F451-V475 HydrophobicContact CE1-CB 4.04Å; F451-V475 HydrophobicContact CE1-CG1 3.88Å; F451-V475 HydrophobicContact CE1-CG2 4.39Å; F451-V475 HydrophobicContact CZ-CG1 3.94Å; F451-R477 HydrophobicContact CE1-CG 4.48Å
452	Q	89.5	Confident	85	Confident	90 Å²	90	62.8 Å²	62.8	42%	0.421	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-132.8	174.1	-58.5	-176.8	-7.9	0	0	109.8	K465	Q452-K465 WeakPolarHBondContact CA-O 3.24Å; Q452-K465 HydrophobicContact CB-CB 4.29Å; Q452-K465 HydrophobicContact CB-CG 4.45Å; Q452-K465 WeakPolarHBondContact CB-O 3.27Å; Q452-K465 PolarHBondContact N-O 3.48Å; Q452-K465 VanDerWaalsContact OE1-CE 3.26Å
453	E	90	Very high	84.9	Confident	113 Å²	113	61.9 Å²	61.9	53%	0.528	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	157	-177.7	68.9	-157.8	153.5	0	0	113.4	I455 Y464 K465	E453-I455 HydrophobicContact CG-CG2 3.79Å; E453-Y464 WeakPolarHBondContact O-CA 3.45Å; E453-K465 HydrophobicContact CG-CB 4.33Å; E453-K465 PolarHBondContact O-N 3.44Å; E453-K465 IonicContact OE1-NZ 2.69Å
454	A	88.8	Confident	85.1	Confident	61 Å²	61	61.7 Å²	61.7	50%	0.504	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.6	166.8	0	0	0	0	0	108.7	Y464	A454-Y464 HydrophobicContact CB-CD1 4Å; A454-Y464 HydrophobicContact CB-CE1 3.94Å
455	I	89.2	Confident	85.3	Confident	67 Å²	67	63.6 Å²	63.6	34%	0.344	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-11.2	-174.7	58.5	174.6	0	0	0	113.2	E453 V463 K465 A474 Y527	E453-I455 HydrophobicContact CG-CG2 3.79Å; I455-V463 HydrophobicContact CD1-CG1 3.84Å; I455-V463 HydrophobicContact CG1-CB 4.08Å; I455-V463 HydrophobicContact CG1-CG1 3.8Å; I455-V463 WeakPolarHBondContact CG1-O 3.42Å; I455-V463 PolarHBondContact N-O 3.08Å; I455-K465 HydrophobicContact CD1-CB 4.46Å; I455-K465 HydrophobicContact CG2-CB 3.83Å; I455-A474 HydrophobicContact CD1-CB 4.31Å; I455-Y527 HydrophobicContact CD1-CD2 3.91Å; I455-Y527 HydrophobicContact CD1-CE2 3.63Å
456	G	81.4	Confident	85.6	Confident	32 Å²	32	58.8 Å²	58.8	33%	0.33	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	161.6	178.7	0	0	0	0	0	112.7	V463	G456-V463 PolarHBondContact N-O 3.05Å; G456-V463 PolarHBondContact O-N 2.93Å
457	S	77.8	Confident	86	Confident	96 Å²	96	59.7 Å²	59.7	67%	0.671	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	130.9	171.6	62.4	0	0	0	0	110
458	G	67.2	Low	86.2	Confident	38 Å²	38	56 Å²	56	39%	0.392	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-174.4	176.8	0	0	0	0	0	111.9	F460 G461	G458-F460 PolarHBondContact O-N 3.02Å; G458-G461 PolarHBondContact N-O 3.34Å; G458-G461 PolarHBondContact O-N 3.18Å
459	S	64.3	Low	86.2	Confident	90 Å²	90	59.3 Å²	59.3	63%	0.629	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-36	174.1	46.3	0	0	0	0	112.6
460	F	66.7	Low	86.2	Confident	12 Å²	12	62.3 Å²	62.3	5%	0.053	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.3	-172.1	-47.9	-57.1	0	0	0	114.8	G458 Y478 M491 E594	G458-F460 PolarHBondContact O-N 3.02Å; F460-Y478 HydrophobicContact CB-CD1 4.15Å; F460-Y478 HydrophobicContact CB-CE1 3.9Å; F460-Y478 WeakPolarHBondContact O-CA 3.35Å; F460-M491 HydrophobicContact CD1-CE 3.45Å; F460-M491 VanDerWaalsContact CD1-CE 3.45Å; F460-M491 HydrophobicContact CD1-SD 3.63Å; F460-M491 HydrophobicContact CE1-CE 3.68Å; F460-M491 HydrophobicContact CE1-SD 3.26Å; F460-M491 WeakPolarHBondContact CE1-SD 3.4Å; F460-M491 HydrophobicContact CZ-SD 4.28Å; F460-E594 HydrophobicContact CE2-CG 4.38Å; F460-E594 HydrophobicContact CZ-CG 3.88Å; F460-E594 WeakPolarHBondContact CZ-OE1 3.46Å
461	G	75.7	Confident	86.2	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-177.8	-169.1	0	0	0	0	0	115.3	G458 R477	G458-G461 PolarHBondContact N-O 3.34Å; G458-G461 PolarHBondContact O-N 3.18Å; G461-R477 WeakPolarHBondContact CA-O 3.37Å
462	K	86	Confident	86.4	Confident	105 Å²	105	64 Å²	64	46%	0.457	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.4	167	-72.7	-171.4	174.8	-167.6	0	108.8	Y464 R477	K462-Y464 HydrophobicContact CB-CD2 4.35Å; K462-Y464 HydrophobicContact CB-CE2 3.54Å; K462-R477 PolarHBondContact N-O 3.19Å; K462-R477 PolarHBondContact O-N 3.22Å
463	V	91.4	Very high	86.8	Confident	36 Å²	36	59.8 Å²	59.8	22%	0.218	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.8	174.3	-169.9	0	0	0	0	107.9	I455 G456 A474 V475 K476	I455-V463 HydrophobicContact CD1-CG1 3.84Å; I455-V463 HydrophobicContact CG1-CB 4.08Å; I455-V463 HydrophobicContact CG1-CG1 3.8Å; I455-V463 WeakPolarHBondContact CG1-O 3.42Å; I455-V463 PolarHBondContact N-O 3.08Å; G456-V463 PolarHBondContact N-O 3.05Å; G456-V463 PolarHBondContact O-N 2.93Å; V463-A474 HydrophobicContact CG1-CB 4.13Å; V463-V475 WeakPolarHBondContact CA-O 3.49Å; V463-K476 HydrophobicContact CG2-CB 4.19Å; V463-K476 HydrophobicContact CG2-CG 4.11Å
464	Y	94	Very high	87.1	Confident	47 Å²	47	54.9 Å²	54.9	18%	0.184	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.2	178.2	-61.2	-95.8	0	0	0	109.6	F451 E453 A454 K462 A474 V475 R477	F451-Y464 HydrophobicContact CD1-CD1 4.34Å; F451-Y464 AromaticContact CD1-CG 3.95Å; F451-Y464 HydrophobicContact CD1-CG 3.95Å; F451-Y464 HydrophobicContact CE1-CD2 4.19Å; F451-Y464 HydrophobicContact CE1-CG 4.07Å; E453-Y464 WeakPolarHBondContact O-CA 3.45Å; A454-Y464 HydrophobicContact CB-CD1 4Å; A454-Y464 HydrophobicContact CB-CE1 3.94Å; K462-Y464 HydrophobicContact CB-CD2 4.35Å; K462-Y464 HydrophobicContact CB-CE2 3.54Å; Y464-A474 CarbonylContact O-C 3.59Å; Y464-A474 WeakPolarHBondContact O-CA 3.23Å; Y464-V475 PolarHBondContact N-O 3.46Å; Y464-V475 PolarHBondContact O-N 3.35Å; Y464-R477 HydrophobicContact CD2-CG 4.1Å; Y464-R477 HydrophobicContact CE2-CB 4.36Å; Y464-R477 HydrophobicContact CE2-CG 4.15Å
465	K	95.5	Very high	87.4	Confident	44 Å²	44	52 Å²	52	19%	0.191	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.3	161.7	-174.5	176.5	177.9	177.3	0	108.4	Q452 E453 I455 T472 Y527	Q452-K465 WeakPolarHBondContact CA-O 3.24Å; Q452-K465 HydrophobicContact CB-CB 4.29Å; Q452-K465 HydrophobicContact CB-CG 4.45Å; Q452-K465 WeakPolarHBondContact CB-O 3.27Å; Q452-K465 PolarHBondContact N-O 3.48Å; Q452-K465 VanDerWaalsContact OE1-CE 3.26Å; E453-K465 HydrophobicContact CG-CB 4.33Å; E453-K465 PolarHBondContact O-N 3.44Å; E453-K465 IonicContact OE1-NZ 2.69Å; I455-K465 HydrophobicContact CD1-CB 4.46Å; I455-K465 HydrophobicContact CG2-CB 3.83Å; K465-T472 HydrophobicContact CD-CG2 4.48Å; K465-T472 HydrophobicContact CG-CG2 3.98Å; K465-Y527 HydrophobicContact CB-CE2 4.4Å; K465-Y527 HydrophobicContact CD-CE1 4.32Å; K465-Y527 HydrophobicContact CD-CE2 4.09Å; K465-Y527 HydrophobicContact CG-CD2 4.28Å; K465-Y527 HydrophobicContact CG-CE2 4.11Å
466	G	94.8	Very high	87.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	175.1	174.9	0	0	0	0	0	112.4	D450 T472 V473	D450-G466 CarbonylContact O-C 3.32Å; D450-G466 WeakPolarHBondContact O-CA 3.31Å; G466-T472 CarbonylContact O-C 3.59Å; G466-T472 WeakPolarHBondContact O-CA 3.2Å; G466-V473 PolarHBondContact N-O 2.87Å; G466-V473 PolarHBondContact O-N 3.3Å
467	V	96	Very high	87.9	Confident	39 Å²	39	50.8 Å²	50.8	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.2	174.6	-179.1	0	0	0	0	109.1	D450 K471	D450-V467 HydrophobicContact CB-CB 4.4Å; D450-V467 PolarHBondContact N-O 3.25Å; D450-V467 PolarHBondContact O-N 3.13Å; V467-K471 CarbonylContact C-O 3.51Å; V467-K471 WeakPolarHBondContact CA-O 3.24Å
468	Y	94.2	Very high	88.1	Confident	19 Å²	19	46.7 Å²	46.7	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.9	175.8	-179.2	-112.4	0	0	0	110.1	M444 E448 I449 G470 K471 V511	M444-Y468 HydrophobicContact CE-CD1 3.34Å; M444-Y468 HydrophobicContact CE-CD2 3.42Å; M444-Y468 VanDerWaalsContact CE-CD2 3.42Å; M444-Y468 HydrophobicContact CE-CE1 3.44Å; M444-Y468 VanDerWaalsContact CE-CE1 3.44Å; M444-Y468 HydrophobicContact CE-CE2 3.53Å; M444-Y468 HydrophobicContact CE-CG 3.32Å; M444-Y468 HydrophobicContact CG-CE1 4.42Å; M444-Y468 HydrophobicContact SD-CD1 4.35Å; M444-Y468 HydrophobicContact SD-CE1 4.11Å; E448-Y468 HydrophobicContact CB-CD2 4.1Å; E448-Y468 HydrophobicContact CB-CE2 3.64Å; E448-Y468 WeakPolarHBondContact O-CD2 3.32Å; E448-Y468 WeakPolarHBondContact OE2-CE2 3.39Å; E448-Y468 PolarHBondContact OE2-OH 3.49Å; I449-Y468 HydrophobicContact CG1-CD2 4.08Å; Y468-G470 PolarHBondContact O-N 2.99Å; Y468-G470 VanDerWaalsContact O-N 3.16Å; Y468-K471 PolarHBondContact N-O 2.76Å; Y468-K471 PolarHBondContact O-N 3.31Å; Y468-V511 HydrophobicContact CD1-CG1 4.42Å
469	K	92.1	Very high	88.1	Confident	165 Å²	165	52.3 Å²	52.3	72%	0.717	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	41.8	-178	-67.2	177.9	173.5	157.1	0	113.1	K471	K469-K471 VanDerWaalsContact C-N 3.26Å; K469-K471 PolarHBondContact O-N 3.4Å
470	G	91	Very high	87.7	Confident	72 Å²	72	49 Å²	49	74%	0.742	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	0.7	180	0	0	0	0	0	115.5	Y468	Y468-G470 PolarHBondContact O-N 2.99Å; Y468-G470 VanDerWaalsContact O-N 3.16Å
471	K	94	Very high	87	Confident	151 Å²	151	49.9 Å²	49.9	66%	0.657	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.5	175.7	-63.1	-173.4	177.7	-173.2	0	110.6	V467 Y468 K469	V467-K471 CarbonylContact C-O 3.51Å; V467-K471 WeakPolarHBondContact CA-O 3.24Å; Y468-K471 PolarHBondContact N-O 2.76Å; Y468-K471 PolarHBondContact O-N 3.31Å; K469-K471 VanDerWaalsContact C-N 3.26Å; K469-K471 PolarHBondContact O-N 3.4Å
472	T	95.7	Very high	85.5	Confident	65 Å²	65	54.5 Å²	54.5	40%	0.399	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.3	171.9	-50.4	0	0	0	0	109.7	K465 G466 Y527	K465-T472 HydrophobicContact CD-CG2 4.48Å; K465-T472 HydrophobicContact CG-CG2 3.98Å; G466-T472 CarbonylContact O-C 3.59Å; G466-T472 WeakPolarHBondContact O-CA 3.2Å; T472-Y527 HydrophobicContact CG2-CD1 3.61Å; T472-Y527 HydrophobicContact CG2-CE1 4.3Å; T472-Y527 HydrophobicContact CG2-CG 3.77Å
473	V	96.8	Very high	83.2	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.6	-177.3	-66.2	0	0	0	0	110.7	I449 G466 V475 V511 V524 T525	I449-V473 HydrophobicContact CG2-CG2 4.2Å; G466-V473 PolarHBondContact N-O 2.87Å; G466-V473 PolarHBondContact O-N 3.3Å; V473-V475 HydrophobicContact CG2-CG2 4.05Å; V473-V511 HydrophobicContact CG1-CG1 4.42Å; V473-V511 HydrophobicContact CG1-CG2 4.37Å; V473-V524 HydrophobicContact CB-CG1 3.67Å; V473-V524 HydrophobicContact CG1-CG1 3.98Å; V473-V524 HydrophobicContact CG2-CG1 3.85Å; V473-T525 WeakPolarHBondContact CA-O 3.12Å; V473-T525 WeakPolarHBondContact CB-O 3.21Å
474	A	96.3	Very high	80.6	Confident	10 Å²	10	58.4 Å²	58.4	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.2	166.8	0	0	0	0	0	109.2	I455 V463 Y464 V524 T525 Y527	I455-A474 HydrophobicContact CD1-CB 4.31Å; V463-A474 HydrophobicContact CG1-CB 4.13Å; Y464-A474 CarbonylContact O-C 3.59Å; Y464-A474 WeakPolarHBondContact O-CA 3.23Å; A474-V524 WeakPolarHBondContact O-CA 3.43Å; A474-T525 PolarHBondContact N-O 3.1Å; A474-T525 PolarHBondContact O-N 3.42Å; A474-Y527 HydrophobicContact CB-CD2 4.37Å
475	V	94.9	Very high	78.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	101.9	-175.3	-172.1	0	0	0	0	109.4	L446 I449 F451 V463 Y464 V473 R477 A522 L523 V524	L446-V475 HydrophobicContact CD2-CG1 4.23Å; I449-V475 HydrophobicContact CD1-CG1 4.38Å; I449-V475 HydrophobicContact CD1-CG2 4Å; I449-V475 HydrophobicContact CG2-CG2 3.97Å; F451-V475 HydrophobicContact CE1-CB 4.04Å; F451-V475 HydrophobicContact CE1-CG1 3.88Å; F451-V475 HydrophobicContact CE1-CG2 4.39Å; F451-V475 HydrophobicContact CZ-CG1 3.94Å; V463-V475 WeakPolarHBondContact CA-O 3.49Å; Y464-V475 PolarHBondContact N-O 3.46Å; Y464-V475 PolarHBondContact O-N 3.35Å; V473-V475 HydrophobicContact CG2-CG2 4.05Å; V475-R477 HydrophobicContact CG1-CG 4.12Å; V475-R477 PolarHBondContact O-N 2.95Å; V475-A522 HydrophobicContact CG1-CB 3.83Å; V475-L523 WeakPolarHBondContact CA-O 3.29Å; V475-V524 HydrophobicContact CG1-CG2 4.45Å; V475-V524 HydrophobicContact CG2-CG1 4.46Å
476	K	92.8	Very high	76	Confident	19 Å²	19	65 Å²	65	8%	0.083	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	102.9	174.4	-173.1	178.3	-169.3	-177	0	108.7	V463 Y478 E495 A522 L523 D591	V463-K476 HydrophobicContact CG2-CB 4.19Å; V463-K476 HydrophobicContact CG2-CG 4.11Å; K476-Y478 HydrophobicContact CB-CE2 4.48Å; K476-Y478 HydrophobicContact CD-CE2 4.19Å; K476-Y478 HydrophobicContact CG-CE2 4.05Å; K476-Y478 WeakPolarHBondContact O-CD2 3.38Å; K476-E495 IonicContact NZ-OE1 3.84Å; K476-E495 PolarHBondContact NZ-OE1 2.95Å; K476-E495 IonicContact NZ-OE2 3.87Å; K476-E495 PolarHBondContact NZ-OE2 2.81Å; K476-A522 VanDerWaalsContact O-CA 3.29Å; K476-A522 WeakPolarHBondContact O-CA 3.4Å; K476-L523 HydrophobicContact CB-CB 4.34Å; K476-L523 HydrophobicContact CD-CD2 4.37Å; K476-L523 PolarHBondContact N-O 3.03Å; K476-L523 PolarHBondContact O-N 3.29Å; K476-D591 IonicContact NZ-OD1 3.9Å; K476-D591 PolarHBondContact NZ-OD1 3.02Å; K476-D591 IonicContact NZ-OD2 3.72Å
477	R	89.5	Confident	74.4	Confident	55 Å²	55	67.1 Å²	67.1	21%	0.208	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.1	178.6	-66.7	-170.7	65.6	-167.9	1.3	110.2	F451 G461 K462 Y464 V475 A522	F451-R477 HydrophobicContact CE1-CG 4.48Å; G461-R477 WeakPolarHBondContact CA-O 3.37Å; K462-R477 PolarHBondContact N-O 3.19Å; K462-R477 PolarHBondContact O-N 3.22Å; Y464-R477 HydrophobicContact CD2-CG 4.1Å; Y464-R477 HydrophobicContact CE2-CB 4.36Å; Y464-R477 HydrophobicContact CE2-CG 4.15Å; V475-R477 HydrophobicContact CG1-CG 4.12Å; V475-R477 PolarHBondContact O-N 2.95Å; R477-A522 HydrophobicContact CG-CB 4.25Å
478	Y	81.8	Confident	73.1	Confident	10 Å²	10	66.8 Å²	66.8	4%	0.039	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.3	176.8	-70.9	-106.4	0	0	0	109.2	F460 K476 A480 F492 E495 F521 L523	F460-Y478 HydrophobicContact CB-CD1 4.15Å; F460-Y478 HydrophobicContact CB-CE1 3.9Å; F460-Y478 WeakPolarHBondContact O-CA 3.35Å; K476-Y478 HydrophobicContact CB-CE2 4.48Å; K476-Y478 HydrophobicContact CD-CE2 4.19Å; K476-Y478 HydrophobicContact CG-CE2 4.05Å; K476-Y478 WeakPolarHBondContact O-CD2 3.38Å; Y478-A480 PolarHBondContact O-N 3.47Å; Y478-F492 HydrophobicContact CD1-CB 3.72Å; Y478-F492 HydrophobicContact CD1-CD2 4.38Å; Y478-F492 HydrophobicContact CD1-CG 4.48Å; Y478-F492 HydrophobicContact CD2-CB 4.27Å; Y478-F492 AromaticContact CD2-CD2 3.4Å; Y478-F492 HydrophobicContact CD2-CD2 3.4Å; Y478-F492 VanDerWaalsContact CD2-CD2 3.4Å; Y478-F492 HydrophobicContact CD2-CE2 4.07Å; Y478-F492 HydrophobicContact CD2-CG 4.16Å; Y478-F492 HydrophobicContact CE1-CB 3.87Å; Y478-F492 HydrophobicContact CE1-CD2 4.35Å; Y478-F492 HydrophobicContact CE2-CB 4.43Å; Y478-F492 AromaticContact CE2-CD2 3.41Å; Y478-F492 HydrophobicContact CE2-CD2 3.41Å; Y478-F492 VanDerWaalsContact CE2-CD2 3.41Å; Y478-F492 HydrophobicContact CE2-CE2 4.12Å; Y478-F492 HydrophobicContact CE2-CG 4.36Å; Y478-F492 HydrophobicContact CG-CB 3.92Å; Y478-F492 AromaticContact CG-CD2 3.92Å; Y478-F492 HydrophobicContact CG-CD2 3.92Å; Y478-F492 HydrophobicContact CG-CG 4.23Å; Y478-F492 AromaticContact CZ-CD2 3.86Å; Y478-E495 PolarHBondContact OH-OE2 3.36Å; Y478-F521 PolarHBondContact N-O 2.97Å; Y478-L523 HydrophobicContact CE2-CB 3.94Å
479	R	67.1	Low	72.3	Confident	156 Å²	156	66.4 Å²	66.4	59%	0.589	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-67.3	124.9	175.3	-63.4	-178.4	-176.8	-175.8	5.4	107.4	A481	R479-A481 PolarHBondContact O-N 2.88Å
480	A	55.3	Low	71.5	Confident	19 Å²	19	62 Å²	62	16%	0.157	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-58.9	127.3	170.4	0	0	0	0	0	108	I368 Y478 K482	I368-A480 HydrophobicContact CD1-CB 3.27Å; Y478-A480 PolarHBondContact O-N 3.47Å; A480-K482 PolarHBondContact O-N 3.43Å
481	A	51.4	Low	70.9	Confident	31 Å²	31	59.4 Å²	59.4	26%	0.256	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-47.8	129.2	-174.1	0	0	0	0	0	110.9	R479 F483	R479-A481 PolarHBondContact O-N 2.88Å; A481-F483 PolarHBondContact O-N 3.48Å
482	K	46	Very low	70.6	Confident	98 Å²	98	52.2 Å²	52.2	43%	0.426	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-60.2	122.3	147.9	-76.5	-172.3	175	-168	0	105.3	A480 G484 V485	A480-K482 PolarHBondContact O-N 3.43Å; K482-G484 PolarHBondContact O-N 2.97Å; K482-G484 VanDerWaalsContact O-N 3.14Å; K482-V485 HydrophobicContact CB-CG2 4.4Å; K482-V485 PolarHBondContact O-N 3.4Å
483	F	36.3	Very low	70.2	Confident	153 Å²	153	49.4 Å²	49.4	67%	0.671	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	123.1	176.5	-119.7	-99	0	0	0	109.7	A481	A481-F483 PolarHBondContact O-N 3.48Å
484	G	37.1	Very low	69.7	Low	71 Å²	71	50.7 Å²	50.7	73%	0.732	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-3.9	178.8	0	0	0	0	0	117.3	K482	K482-G484 PolarHBondContact O-N 2.97Å; K482-G484 VanDerWaalsContact O-N 3.14Å
485	V	47.4	Very low	69.5	Low	53 Å²	53	50.3 Å²	50.3	32%	0.321	26%	0.257	S	S	.	.			trans	-96.3	94.7	168.9	-165	0	0	0	0	108.9	K482 S487	K482-V485 HydrophobicContact CB-CG2 4.4Å; K482-V485 PolarHBondContact O-N 3.4Å; V485-S487 WeakPolarHBondContact CG1-OG 3.43Å; V485-S487 PolarHBondContact O-N 3.06Å
486	K	46.3	Very low	69.4	Low	175 Å²	175	50.3 Å²	50.3	76%	0.761	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.7	-177.5	-71.8	-177.4	176.8	179.8	0	114.6
487	S	59.7	Low	69.3	Low	46 Å²	46	50.5 Å²	50.5	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-79	-39	-165.3	57.6	0	0	0	0	114.3	V485 V489 E490 M491	V485-S487 WeakPolarHBondContact CG1-OG 3.43Å; V485-S487 PolarHBondContact O-N 3.06Å; S487-V489 PolarHBondContact O-N 3.41Å; S487-E490 PolarHBondContact O-N 3.22Å; S487-M491 VanDerWaalsContact O-CB 3.25Å; S487-M491 WeakPolarHBondContact O-CB 3.35Å; S487-M491 WeakPolarHBondContact O-CG 3.23Å; S487-M491 PolarHBondContact O-N 3.03Å
488	D	69.9	Low	69.5	Low	32 Å²	32	47.9 Å²	47.9	17%	0.171	25%	0.251	C	S	.	.	H	α-helix	trans	-72.4	-38.7	-159	-62.3	-4.1	0	0	0	113.6	M491 F492	D488-M491 HydrophobicContact CB-CE 4.38Å; D488-M491 WeakPolarHBondContact OD1-CE 3.44Å; D488-F492 WeakPolarHBondContact O-CB 3.39Å; D488-F492 PolarHBondContact O-N 3.36Å
489	V	76	Confident	70.1	Confident	11 Å²	11	47.5 Å²	47.5	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-42.4	175.5	177.7	0	0	0	0	111.1	E427 V431 S487 M491 F492 C493 F521	E427-V489 HydrophobicContact CB-CB 4.46Å; E427-V489 HydrophobicContact CB-CG1 4.05Å; E427-V489 HydrophobicContact CG-CB 4.28Å; E427-V489 HydrophobicContact CG-CG1 4.36Å; V431-V489 HydrophobicContact CG2-CG1 3.73Å; S487-V489 PolarHBondContact O-N 3.41Å; V489-M491 VanDerWaalsContact C-N 3.35Å; V489-F492 PolarHBondContact O-N 3.11Å; V489-C493 WeakPolarHBondContact O-CB 3.49Å; V489-C493 PolarHBondContact O-N 3.2Å; V489-C493 PolarHBondContact O-SG 3.43Å; V489-F521 HydrophobicContact CG1-CE2 4.1Å; V489-F521 HydrophobicContact CG2-CE2 4.16Å
490	E	76.1	Confident	71.4	Confident	71 Å²	71	41.9 Å²	41.9	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-42.7	178.2	-168.8	-174.9	132.1	0	0	110.5	K426 S487 C493 R494	K426-E490 IonicContact NZ-OE2 3.43Å; S487-E490 PolarHBondContact O-N 3.22Å; E490-C493 PolarHBondContact O-N 2.95Å; E490-R494 WeakPolarHBondContact O-CB 3.13Å; E490-R494 PolarHBondContact O-N 3.06Å; E490-R494 IonicContact OE1-NH1 2.63Å
491	M	78.3	Confident	73.1	Confident	18 Å²	18	47.1 Å²	47.1	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-48.4	175.5	-69.8	-175.4	-51.8	0	0	111.5	F460 S487 D488 V489 R494 E495	F460-M491 HydrophobicContact CD1-CE 3.45Å; F460-M491 VanDerWaalsContact CD1-CE 3.45Å; F460-M491 HydrophobicContact CD1-SD 3.63Å; F460-M491 HydrophobicContact CE1-CE 3.68Å; F460-M491 HydrophobicContact CE1-SD 3.26Å; F460-M491 WeakPolarHBondContact CE1-SD 3.4Å; F460-M491 HydrophobicContact CZ-SD 4.28Å; S487-M491 VanDerWaalsContact O-CB 3.25Å; S487-M491 WeakPolarHBondContact O-CB 3.35Å; S487-M491 WeakPolarHBondContact O-CG 3.23Å; S487-M491 PolarHBondContact O-N 3.03Å; D488-M491 HydrophobicContact CB-CE 4.38Å; D488-M491 WeakPolarHBondContact OD1-CE 3.44Å; V489-M491 VanDerWaalsContact C-N 3.35Å; M491-R494 VanDerWaalsContact CG-NH2 3.34Å; M491-R494 PolarHBondContact O-N 3.43Å; M491-E495 WeakPolarHBondContact O-CB 3.49Å; M491-E495 PolarHBondContact O-N 3.02Å
492	F	87.1	Confident	75.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-52.6	174.1	170.6	-115.8	0	0	0	111.5	L434 Y478 D488 V489 R494 E495 V496 A513 L515 F521 L523	L434-F492 HydrophobicContact CD2-CE1 4.42Å; Y478-F492 HydrophobicContact CD1-CB 3.72Å; Y478-F492 HydrophobicContact CD1-CD2 4.38Å; Y478-F492 HydrophobicContact CD1-CG 4.48Å; Y478-F492 HydrophobicContact CD2-CB 4.27Å; Y478-F492 AromaticContact CD2-CD2 3.4Å; Y478-F492 HydrophobicContact CD2-CD2 3.4Å; Y478-F492 VanDerWaalsContact CD2-CD2 3.4Å; Y478-F492 HydrophobicContact CD2-CE2 4.07Å; Y478-F492 HydrophobicContact CD2-CG 4.16Å; Y478-F492 HydrophobicContact CE1-CB 3.87Å; Y478-F492 HydrophobicContact CE1-CD2 4.35Å; Y478-F492 HydrophobicContact CE2-CB 4.43Å; Y478-F492 AromaticContact CE2-CD2 3.41Å; Y478-F492 HydrophobicContact CE2-CD2 3.41Å; Y478-F492 VanDerWaalsContact CE2-CD2 3.41Å; Y478-F492 HydrophobicContact CE2-CE2 4.12Å; Y478-F492 HydrophobicContact CE2-CG 4.36Å; Y478-F492 HydrophobicContact CG-CB 3.92Å; Y478-F492 AromaticContact CG-CD2 3.92Å; Y478-F492 HydrophobicContact CG-CD2 3.92Å; Y478-F492 HydrophobicContact CG-CG 4.23Å; Y478-F492 AromaticContact CZ-CD2 3.86Å; D488-F492 WeakPolarHBondContact O-CB 3.39Å; D488-F492 PolarHBondContact O-N 3.36Å; V489-F492 PolarHBondContact O-N 3.11Å; F492-R494 VanDerWaalsContact C-N 3.26Å; F492-R494 PolarHBondContact O-N 3.04Å; F492-E495 PolarHBondContact O-N 3.27Å; F492-V496 HydrophobicContact CD2-CG2 3.79Å; F492-V496 HydrophobicContact CE2-CG2 3.47Å; F492-V496 VanDerWaalsContact CE2-CG2 3.47Å; F492-V496 HydrophobicContact CZ-CG2 3.91Å; F492-V496 VanDerWaalsContact O-CG2 3.27Å; F492-V496 WeakPolarHBondContact O-CG2 3.27Å; F492-V496 PolarHBondContact O-N 2.94Å; F492-A513 HydrophobicContact CZ-CB 4.29Å; F492-L515 HydrophobicContact CE1-CD2 3.51Å; F492-L515 HydrophobicContact CZ-CD2 3.59Å; F492-F521 HydrophobicContact CD1-CB 4.04Å; F492-F521 HydrophobicContact CD1-CD1 4.47Å; F492-F521 AromaticContact CD1-CD2 3.42Å; F492-F521 HydrophobicContact CD1-CD2 3.42Å; F492-F521 VanDerWaalsContact CD1-CD2 3.42Å; F492-F521 AromaticContact CD1-CE2 3.94Å; F492-F521 HydrophobicContact CD1-CE2 3.94Å; F492-F521 AromaticContact CD1-CG 3.74Å; F492-F521 HydrophobicContact CD1-CG 3.74Å; F492-F521 HydrophobicContact CD2-CB 4.42Å; F492-F521 HydrophobicContact CE1-CB 3.87Å; F492-F521 AromaticContact CE1-CD1 3.88Å; F492-F521 HydrophobicContact CE1-CD1 3.88Å; F492-F521 AromaticContact CE1-CD2 3.68Å; F492-F521 HydrophobicContact CE1-CD2 3.68Å; F492-F521 HydrophobicContact CE1-CE1 4.34Å; F492-F521 HydrophobicContact CE1-CE2 4.16Å; F492-F521 AromaticContact CE1-CG 3.53Å; F492-F521 HydrophobicContact CE1-CG 3.53Å; F492-F521 HydrophobicContact CE1-CZ 4.47Å; F492-F521 HydrophobicContact CE2-CB 4.26Å; F492-F521 HydrophobicContact CG-CB 4.29Å; F492-F521 HydrophobicContact CG-CD2 4.17Å; F492-F521 HydrophobicContact CG-CG 4.45Å; F492-F521 HydrophobicContact CZ-CB 3.97Å; F492-F521 HydrophobicContact CZ-CD1 4.4Å; F492-F521 HydrophobicContact CZ-CG 4.09Å; F492-L523 HydrophobicContact CE2-CB 4.41Å
493	C	87.3	Confident	77.5	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-37.4	-175.5	-67.8	0	0	0	0	111.8	L434 V489 E490 S497	L434-C493 HydrophobicContact CD2-CB 4.02Å; V489-C493 WeakPolarHBondContact O-CB 3.49Å; V489-C493 PolarHBondContact O-N 3.2Å; V489-C493 PolarHBondContact O-SG 3.43Å; E490-C493 PolarHBondContact O-N 2.95Å; C493-S497 VanDerWaalsContact O-CB 3.22Å; C493-S497 WeakPolarHBondContact O-CB 3.26Å; C493-S497 PolarHBondContact O-N 2.87Å; C493-S497 PolarHBondContact O-OG 3.29Å
494	R	86.8	Confident	80.4	Confident	29 Å²	29	42.4 Å²	42.4	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-48.1	176.2	-178.8	179.4	62.4	-126.7	1.7	112.4	E490 M491 F492 V496 S497 I498 G593 S595 R596	E490-R494 WeakPolarHBondContact O-CB 3.13Å; E490-R494 PolarHBondContact O-N 3.06Å; E490-R494 IonicContact OE1-NH1 2.63Å; M491-R494 VanDerWaalsContact CG-NH2 3.34Å; M491-R494 PolarHBondContact O-N 3.43Å; F492-R494 VanDerWaalsContact C-N 3.26Å; F492-R494 PolarHBondContact O-N 3.04Å; R494-V496 VanDerWaalsContact C-N 3.32Å; R494-V496 PolarHBondContact O-N 3.03Å; R494-S497 WeakPolarHBondContact O-CB 3.46Å; R494-S497 PolarHBondContact O-N 3.02Å; R494-S497 VanDerWaalsContact O-N 3.14Å; R494-I498 HydrophobicContact CG-CD1 3.89Å; R494-I498 HydrophobicContact CG-CG1 4.47Å; R494-I498 WeakPolarHBondContact O-CG1 3.41Å; R494-I498 PolarHBondContact O-N 3.5Å; R494-G593 PolarHBondContact NH2-O 3.16Å; R494-S595 WeakPolarHBondContact CD-O 3.27Å; R494-S595 PolarHBondContact NE-O 2.92Å; R494-R596 VanDerWaalsContact CZ-NH2 3.28Å; R494-R596 VanDerWaalsContact NH2-NH2 3.18Å
495	E	91.4	Very high	83.2	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-44.2	-180	-170	170.3	168.5	0	0	110.4	K476 Y478 M491 F492 I498 L499 L523 F592 G593	K476-E495 IonicContact NZ-OE1 3.84Å; K476-E495 PolarHBondContact NZ-OE1 2.95Å; K476-E495 IonicContact NZ-OE2 3.87Å; K476-E495 PolarHBondContact NZ-OE2 2.81Å; Y478-E495 PolarHBondContact OH-OE2 3.36Å; M491-E495 WeakPolarHBondContact O-CB 3.49Å; M491-E495 PolarHBondContact O-N 3.02Å; F492-E495 PolarHBondContact O-N 3.27Å; E495-I498 PolarHBondContact O-N 3.3Å; E495-L499 HydrophobicContact CG-CD1 3.94Å; E495-L499 WeakPolarHBondContact O-CB 3.29Å; E495-L499 PolarHBondContact O-N 3.16Å; E495-L523 HydrophobicContact CG-CD2 3.89Å; E495-L523 WeakPolarHBondContact OE1-CD2 3.1Å; E495-F592 HydrophobicContact CG-CB 3.98Å; E495-F592 PolarHBondContact OE1-N 3.39Å; E495-G593 VanDerWaalsContact CD-CA 3.44Å; E495-G593 WeakPolarHBondContact OE2-CA 3.46Å; E495-G593 PolarHBondContact OE2-N 3.39Å
496	V	93.4	Very high	85.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-42.5	173.8	-179.7	0	0	0	0	111.6	L434 L438 F492 R494 I498 S500 F510 A513 L523	L434-V496 HydrophobicContact CD1-CB 4.16Å; L434-V496 HydrophobicContact CD1-CG1 3.82Å; L434-V496 HydrophobicContact CD2-CB 3.96Å; L434-V496 HydrophobicContact CD2-CG1 3.99Å; L434-V496 HydrophobicContact CD2-CG2 4.48Å; L434-V496 HydrophobicContact CG-CG1 4.26Å; L438-V496 HydrophobicContact CD1-CG1 3.59Å; L438-V496 HydrophobicContact CD2-CG1 4.27Å; L438-V496 HydrophobicContact CG-CG1 4.39Å; F492-V496 HydrophobicContact CD2-CG2 3.79Å; F492-V496 HydrophobicContact CE2-CG2 3.47Å; F492-V496 VanDerWaalsContact CE2-CG2 3.47Å; F492-V496 HydrophobicContact CZ-CG2 3.91Å; F492-V496 VanDerWaalsContact O-CG2 3.27Å; F492-V496 WeakPolarHBondContact O-CG2 3.27Å; F492-V496 PolarHBondContact O-N 2.94Å; R494-V496 VanDerWaalsContact C-N 3.32Å; R494-V496 PolarHBondContact O-N 3.03Å; V496-I498 VanDerWaalsContact C-N 3.28Å; V496-I498 PolarHBondContact O-N 3.49Å; V496-S500 WeakPolarHBondContact O-CB 3.49Å; V496-S500 PolarHBondContact O-N 2.65Å; V496-S500 PolarHBondContact O-OG 3.2Å; V496-F510 HydrophobicContact CG1-CE2 3.88Å; V496-F510 HydrophobicContact CG1-CZ 3.88Å; V496-A513 HydrophobicContact CG1-CB 3.88Å; V496-A513 HydrophobicContact CG2-CB 4.09Å; V496-L523 HydrophobicContact CG2-CB 4.41Å; V496-L523 HydrophobicContact CG2-CD1 4.1Å
497	S	91.7	Very high	88	Confident	23 Å²	23	33.4 Å²	33.4	16%	0.161	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-34	177.9	-64.8	0	0	0	0	113	L434 C493 R494 S500 R501	L434-S497 WeakPolarHBondContact CD1-OG 3.42Å; C493-S497 VanDerWaalsContact O-CB 3.22Å; C493-S497 WeakPolarHBondContact O-CB 3.26Å; C493-S497 PolarHBondContact O-N 2.87Å; C493-S497 PolarHBondContact O-OG 3.29Å; R494-S497 WeakPolarHBondContact O-CB 3.46Å; R494-S497 PolarHBondContact O-N 3.02Å; R494-S497 VanDerWaalsContact O-N 3.14Å; S497-S500 PolarHBondContact O-OG 3.44Å; S497-R501 WeakPolarHBondContact O-CD 3.35Å; S497-R501 WeakPolarHBondContact O-CG 3.36Å; S497-R501 PolarHBondContact O-NE 3.4Å
498	I	92.9	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.3	-63	174.8	-71.1	171	0	0	0	108.6	R494 E495 V496 S500 R501 L502 V570 F592 F597	R494-I498 HydrophobicContact CG-CD1 3.89Å; R494-I498 HydrophobicContact CG-CG1 4.47Å; R494-I498 WeakPolarHBondContact O-CG1 3.41Å; R494-I498 PolarHBondContact O-N 3.5Å; E495-I498 PolarHBondContact O-N 3.3Å; V496-I498 VanDerWaalsContact C-N 3.28Å; V496-I498 PolarHBondContact O-N 3.49Å; I498-S500 VanDerWaalsContact C-N 3.29Å; I498-S500 PolarHBondContact O-N 3.42Å; I498-R501 WeakPolarHBondContact O-CB 3.35Å; I498-R501 PolarHBondContact O-N 2.73Å; I498-L502 HydrophobicContact CG2-CD1 3.82Å; I498-L502 HydrophobicContact CG2-CG 4.4Å; I498-L502 WeakPolarHBondContact O-CG 3.39Å; I498-V570 HydrophobicContact CD1-CG1 4.47Å; I498-V570 HydrophobicContact CG2-CG1 3.83Å; I498-V570 HydrophobicContact CG2-CG2 4.21Å; I498-F592 HydrophobicContact CG2-CB 4.3Å; I498-F592 HydrophobicContact CG2-CD1 3.96Å; I498-F592 HydrophobicContact CG2-CG 4.34Å; I498-F597 HydrophobicContact CB-CZ 4.31Å; I498-F597 HydrophobicContact CG1-CD2 4.25Å; I498-F597 HydrophobicContact CG1-CE1 4.17Å; I498-F597 HydrophobicContact CG1-CE2 3.61Å; I498-F597 HydrophobicContact CG1-CZ 3.55Å
499	L	94.8	Very high	91	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-37	-173.6	-83.3	169.3	0	0	0	113.7	E495 R501 L502 L508 F510 L523 T525 F592	E495-L499 HydrophobicContact CG-CD1 3.94Å; E495-L499 WeakPolarHBondContact O-CB 3.29Å; E495-L499 PolarHBondContact O-N 3.16Å; L499-R501 PolarHBondContact O-N 2.79Å; L499-R501 VanDerWaalsContact O-N 3.1Å; L499-L502 HydrophobicContact CD2-CD1 4.33Å; L499-L502 PolarHBondContact O-N 2.62Å; L499-L502 VanDerWaalsContact O-N 3.1Å; L499-L508 WeakPolarHBondContact CD2-O 3.35Å; L499-F510 HydrophobicContact CB-CB 4.19Å; L499-F510 HydrophobicContact CB-CD2 4.15Å; L499-F510 HydrophobicContact CB-CG 4.46Å; L499-F510 WeakPolarHBondContact O-CB 3.32Å; L499-L523 HydrophobicContact CD1-CD1 3.92Å; L499-L523 HydrophobicContact CD1-CD2 3.45Å; L499-L523 VanDerWaalsContact CD1-CD2 3.45Å; L499-L523 HydrophobicContact CD1-CG 4.25Å; L499-T525 HydrophobicContact CD1-CG2 4.41Å; L499-F592 HydrophobicContact CD1-CD2 4.33Å; L499-F592 HydrophobicContact CD2-CD2 3.42Å; L499-F592 VanDerWaalsContact CD2-CD2 3.42Å; L499-F592 HydrophobicContact CD2-CE2 3.75Å; L499-F592 HydrophobicContact CD2-CG 4.15Å; L499-F592 HydrophobicContact CG-CB 4.22Å; L499-F592 HydrophobicContact CG-CD2 3.89Å; L499-F592 HydrophobicContact CG-CG 4.21Å
500	S	93.7	Very high	91.9	Very high	38 Å²	38	35.2 Å²	35.2	27%	0.266	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.9	177.6	59.5	0	0	0	0	114.7	V496 S497 I498	V496-S500 WeakPolarHBondContact O-CB 3.49Å; V496-S500 PolarHBondContact O-N 2.65Å; V496-S500 PolarHBondContact O-OG 3.2Å; S497-S500 PolarHBondContact O-OG 3.44Å; I498-S500 VanDerWaalsContact C-N 3.29Å; I498-S500 PolarHBondContact O-N 3.42Å
501	R	92	Very high	92.9	Very high	130 Å²	130	33.6 Å²	33.6	49%	0.491	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-3.9	177.4	-60.5	175.1	-175	170.6	1.4	113.1	S497 I498 L499	S497-R501 WeakPolarHBondContact O-CD 3.35Å; S497-R501 WeakPolarHBondContact O-CG 3.36Å; S497-R501 PolarHBondContact O-NE 3.4Å; I498-R501 WeakPolarHBondContact O-CB 3.35Å; I498-R501 PolarHBondContact O-N 2.73Å; L499-R501 PolarHBondContact O-N 2.79Å; L499-R501 VanDerWaalsContact O-N 3.1Å
502	L	95	Very high	93.7	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.063	17%	0.168	C	C	.	.			trans	-97.2	136	-176.6	-53.9	-178	0	0	0	110.2	I498 L499 V507 Y562 L563 L566 F592	I498-L502 HydrophobicContact CG2-CD1 3.82Å; I498-L502 HydrophobicContact CG2-CG 4.4Å; I498-L502 WeakPolarHBondContact O-CG 3.39Å; L499-L502 HydrophobicContact CD2-CD1 4.33Å; L499-L502 PolarHBondContact O-N 2.62Å; L499-L502 VanDerWaalsContact O-N 3.1Å; L502-V507 HydrophobicContact CB-CG1 4.07Å; L502-V507 HydrophobicContact CD1-CG1 3.86Å; L502-Y562 HydrophobicContact CB-CE1 4.25Å; L502-Y562 HydrophobicContact CD2-CE1 4.01Å; L502-L563 HydrophobicContact CD1-CD2 3.63Å; L502-L563 HydrophobicContact CD2-CD2 3.81Å; L502-L563 HydrophobicContact CG-CD2 4.34Å; L502-L566 HydrophobicContact CD2-CD1 3.48Å; L502-L566 VanDerWaalsContact CD2-CD1 3.48Å; L502-F592 HydrophobicContact CD1-CD1 4.13Å; L502-F592 HydrophobicContact CD1-CE1 3.77Å; L502-F592 HydrophobicContact CD1-CE2 4.43Å; L502-F592 HydrophobicContact CD1-CZ 3.95Å
503	N	94.1	Very high	94.1	Very high	122 Å²	122	32.7 Å²	32.7	65%	0.652	17%	0.168	S	C	*	.			trans	-152	93.3	174.9	-176.2	36.4	0	0	0	109.3	Y562	N503-Y562 PolarHBondContact N-OH 2.7Å
504	H	96.6	Very high	94.3	Very high	48 Å²	48	32.5 Å²	32.5	22%	0.222	17%	0.167	C	C	.	.			trans	-152.4	142.1	-180	-172.4	-90.1	0	0	0	109.4	N506 V507 Y562	H504-N506 PolarHBondContact CE1-OD1 3.32Å; H504-N506 VanDerWaalsContact CE1-OD1 3.26Å; H504-N506 PolarHBondContact ND1-N 3.4Å; H504-N506 VanDerWaalsContact ND1-N 3.15Å; H504-N506 PolarHBondContact O-N 3.09Å; H504-V507 HydrophobicContact CB-CB 4.13Å; H504-V507 HydrophobicContact CB-CG2 4.12Å; H504-V507 PolarHBondContact O-N 3.32Å; H504-V507 VanDerWaalsContact O-N 3.1Å; H504-V507 VanDerWaalsContact O-O 3.07Å; H504-Y562 HydrophobicContact CB-CD1 3.55Å; H504-Y562 HydrophobicContact CB-CD2 4.03Å; H504-Y562 HydrophobicContact CB-CE1 3.69Å; H504-Y562 HydrophobicContact CB-CE2 4.17Å; H504-Y562 HydrophobicContact CB-CG 3.72Å; H504-Y562 AromaticContact CD2-CD2 3.72Å; H504-Y562 AromaticContact CD2-CG 3.69Å; H504-Y562 AromaticContact CG-CD1 3.99Å; H504-Y562 AromaticContact CG-CG 3.71Å
505	P	95.9	Very high	94.4	Very high	97 Å²	97	31.4 Å²	31.4	63%	0.63	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.3	-177.4	21.5	-34.4	0	0	0	114
506	N	97.6	Very high	93.8	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.043	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.8	178.7	-53.6	105.3	0	0	0	114.1	H504 D555 T586 A587 V589	H504-N506 PolarHBondContact CE1-OD1 3.32Å; H504-N506 VanDerWaalsContact CE1-OD1 3.26Å; H504-N506 PolarHBondContact ND1-N 3.4Å; H504-N506 VanDerWaalsContact ND1-N 3.15Å; H504-N506 PolarHBondContact O-N 3.09Å; N506-D555 WeakPolarHBondContact CB-O 3.27Å; N506-D555 WeakPolarHBondContact ND2-CB 3.23Å; N506-D555 PolarHBondContact ND2-OD1 2.77Å; N506-T586 WeakPolarHBondContact ND2-CG2 3.22Å; N506-A587 PolarHBondContact ND2-O 3.24Å; N506-A587 VanDerWaalsContact ND2-O 3.08Å; N506-V589 PolarHBondContact O-N 3.43Å
507	V	97.5	Very high	92.9	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-131.2	135.5	178	172.5	0	0	0	0	109.5	L502 H504 K509 Y562 L563 I588 F592	L502-V507 HydrophobicContact CB-CG1 4.07Å; L502-V507 HydrophobicContact CD1-CG1 3.86Å; H504-V507 HydrophobicContact CB-CB 4.13Å; H504-V507 HydrophobicContact CB-CG2 4.12Å; H504-V507 PolarHBondContact O-N 3.32Å; H504-V507 VanDerWaalsContact O-N 3.1Å; H504-V507 VanDerWaalsContact O-O 3.07Å; V507-K509 PolarHBondContact O-N 3.19Å; V507-Y562 HydrophobicContact CG2-CD1 4Å; V507-L563 HydrophobicContact CG2-CD2 4.45Å; V507-L563 HydrophobicContact CG2-CG 4.41Å; V507-I588 VanDerWaalsContact C-CG2 3.47Å; V507-F592 HydrophobicContact CG1-CE2 4.04Å; V507-F592 HydrophobicContact CG1-CZ 3.65Å
508	L	96.7	Very high	92.1	Very high	18 Å²	18	41.1 Å²	41.1	9%	0.094	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-58.6	124.9	-174.7	-174.7	64.5	0	0	0	111.2	L499 T525 L581 I588 V589 A590	L499-L508 WeakPolarHBondContact CD2-O 3.35Å; L508-T525 HydrophobicContact CD2-CG2 3.94Å; L508-T525 HydrophobicContact CG-CG2 4.16Å; L508-L581 HydrophobicContact CD1-CD1 4.2Å; L508-L581 HydrophobicContact CD2-CD1 4.37Å; L508-I588 HydrophobicContact CB-CG2 4Å; L508-I588 HydrophobicContact CD1-CG2 4.41Å; L508-V589 PolarHBondContact N-O 2.87Å; L508-A590 HydrophobicContact CB-CB 4.08Å; L508-A590 HydrophobicContact CD2-CB 3.92Å
509	K	95.8	Very high	91.1	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-85.6	129.9	-171	-174.3	160.8	162.3	-137.6	0	112.7	V507 T525 E526	V507-K509 PolarHBondContact O-N 3.19Å; K509-T525 VanDerWaalsContact O-CA 3.28Å; K509-T525 WeakPolarHBondContact O-CA 3.41Å; K509-T525 VanDerWaalsContact O-CB 3.28Å; K509-T525 WeakPolarHBondContact O-CB 3.42Å; K509-E526 HydrophobicContact CB-CB 4.47Å; K509-E526 HydrophobicContact CB-CG 4.15Å; K509-E526 WeakPolarHBondContact CD-OE1 3.45Å; K509-E526 WeakPolarHBondContact CE-OE1 3.4Å; K509-E526 HydrophobicContact CG-CG 4.4Å; K509-E526 IonicContact NZ-OE1 3.49Å; K509-E526 PolarHBondContact NZ-OE1 3.03Å; K509-E526 IonicContact NZ-OE2 2.61Å; K509-E526 PolarHBondContact O-N 3.49Å
510	F	96.3	Very high	90.5	Very high	18 Å²	18	46 Å²	46	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.9	175.5	-177.9	-110.1	0	0	0	111.7	L438 H442 V496 L499 G512 A513 L523	L438-F510 HydrophobicContact CD1-CZ 4.24Å; L438-F510 HydrophobicContact CD2-CE1 3.9Å; L438-F510 HydrophobicContact CD2-CZ 4.04Å; H442-F510 HydrophobicContact CB-CE1 3.86Å; H442-F510 HydrophobicContact CB-CZ 4.41Å; H442-F510 AromaticContact CG-CE1 3.82Å; H442-F510 AromaticContact ND1-CE1 3.78Å; V496-F510 HydrophobicContact CG1-CE2 3.88Å; V496-F510 HydrophobicContact CG1-CZ 3.88Å; L499-F510 HydrophobicContact CB-CB 4.19Å; L499-F510 HydrophobicContact CB-CD2 4.15Å; L499-F510 HydrophobicContact CB-CG 4.46Å; L499-F510 WeakPolarHBondContact O-CB 3.32Å; F510-G512 VanDerWaalsContact CE2-C 3.48Å; F510-G512 WeakPolarHBondContact CE2-O 3.37Å; F510-A513 HydrophobicContact CE2-CB 4.31Å; F510-A513 HydrophobicContact CZ-CB 4.17Å; F510-L523 HydrophobicContact CD2-CD1 3.54Å; F510-L523 HydrophobicContact CE2-CD1 3.5Å
511	V	96.1	Very high	90.3	Very high	36 Å²	36	44.5 Å²	44.5	22%	0.218	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-51.6	172.9	174.3	0	0	0	0	109.8	H442 M444 Y468 V473 V524 T525 E526	H442-V511 PolarHBondContact ND1-O 3.17Å; M444-V511 HydrophobicContact SD-CG1 4.18Å; Y468-V511 HydrophobicContact CD1-CG1 4.42Å; V473-V511 HydrophobicContact CG1-CG1 4.42Å; V473-V511 HydrophobicContact CG1-CG2 4.37Å; V511-V524 WeakPolarHBondContact CA-O 3.14Å; V511-V524 HydrophobicContact CB-CB 4.42Å; V511-V524 HydrophobicContact CB-CG1 4.11Å; V511-V524 WeakPolarHBondContact CB-O 3.23Å; V511-V524 HydrophobicContact CG1-CG1 4.19Å; V511-V524 PolarHBondContact N-O 2.9Å; V511-T525 VanDerWaalsContact CG2-C 3.48Å; V511-E526 HydrophobicContact CG2-CG 3.82Å
512	G	95.6	Very high	90.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-175	-179.3	0	0	0	0	0	113.2	H442 F510 V524	H442-G512 CarbonylContact O-C 3.58Å; H442-G512 VanDerWaalsContact O-CA 3.23Å; H442-G512 WeakPolarHBondContact O-CA 3.22Å; F510-G512 VanDerWaalsContact CE2-C 3.48Å; F510-G512 WeakPolarHBondContact CE2-O 3.37Å; G512-V524 PolarHBondContact N-O 2.97Å; G512-V524 VanDerWaalsContact N-O 3.09Å; G512-V524 WeakPolarHBondContact O-CA 3.44Å; G512-V524 WeakPolarHBondContact O-CB 3.34Å; G512-V524 PolarHBondContact O-N 3.44Å
513	A	95.1	Very high	90.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.5	178.9	0	0	0	0	0	111.8	L438 H442 M444 F492 V496 F510 L515 A522	L438-A513 HydrophobicContact CD1-CB 4.14Å; H442-A513 PolarHBondContact O-N 3.12Å; M444-A513 PolarHBondContact N-O 2.92Å; F492-A513 HydrophobicContact CZ-CB 4.29Å; V496-A513 HydrophobicContact CG1-CB 3.88Å; V496-A513 HydrophobicContact CG2-CB 4.09Å; F510-A513 HydrophobicContact CE2-CB 4.31Å; F510-A513 HydrophobicContact CZ-CB 4.17Å; A513-L515 HydrophobicContact CB-CD2 3.99Å; A513-L515 HydrophobicContact CB-CG 4.26Å; A513-A522 CarbonylContact C-O 3.54Å; A513-A522 VanDerWaalsContact CA-O 3.3Å; A513-A522 WeakPolarHBondContact CA-O 3.33Å
514	C	92.3	Very high	90.3	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.7	172.5	-60.3	0	0	0	0	109.4	M444 L446 Q520 F521 A522	M444-C514 WeakPolarHBondContact O-CA 3.25Å; L446-C514 HydrophobicContact CD2-CB 4.43Å; L446-C514 HydrophobicContact CG-CB 4.05Å; C514-Q520 WeakPolarHBondContact CB-O 3.38Å; C514-F521 WeakPolarHBondContact O-CA 3.27Å; C514-F521 WeakPolarHBondContact O-CD1 3.48Å; C514-A522 HydrophobicContact CB-CB 4.08Å; C514-A522 PolarHBondContact N-O 3.47Å
515	L	87.4	Confident	90.3	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	17%	0.167	C	C	.	.			trans	-115.9	-0.2	-170	-57.5	178.3	0	0	0	114.3	L434 R435 L438 F492 A513	L434-L515 HydrophobicContact CD2-CD2 3.8Å; L434-L515 HydrophobicContact CG-CD2 4.42Å; R435-L515 HydrophobicContact CB-CD1 4.04Å; R435-L515 HydrophobicContact CG-CD1 4.46Å; R435-L515 PolarHBondContact NH2-O 3.05Å; R435-L515 VanDerWaalsContact NH2-O 3.12Å; L438-L515 HydrophobicContact CD1-CD1 3.88Å; F492-L515 HydrophobicContact CE1-CD2 3.51Å; F492-L515 HydrophobicContact CZ-CD2 3.59Å; A513-L515 HydrophobicContact CB-CD2 3.99Å; A513-L515 HydrophobicContact CB-CG 4.26Å
516	N	78.7	Confident	90.3	Very high	93 Å²	93	29.3 Å²	29.3	50%	0.497	15%	0.154	S	C	.	.	S	Bend	trans	-72.6	-37.9	-166.6	-71.5	-11.1	0	0	0	113.5	R435 E445	R435-N516 PolarHBondContact NH2-OD1 3.24Å; R435-N516 VanDerWaalsContact NH2-OD1 3.09Å; E445-N516 PolarHBondContact OE1-ND2 2.83Å; E445-N516 VanDerWaalsContact OE1-ND2 3.13Å
517	D	75.1	Confident	90.2	Very high	72 Å²	72	31.5 Å²	31.5	39%	0.385	16%	0.162	S	C	.	.			trans	-141	132.3	-178.9	176	42.1	0	0	0	109.8	S519 Q520 F521	D517-S519 PolarHBondContact O-N 3.4Å; D517-S519 VanDerWaalsContact O-N 3.07Å; D517-S519 VanDerWaalsContact OD2-CB 3.26Å; D517-S519 WeakPolarHBondContact OD2-CB 3.44Å; D517-S519 PolarHBondContact OD2-N 3.25Å; D517-S519 PolarHBondContact OD2-OG 3.37Å; D517-Q520 HydrophobicContact CB-CB 4.26Å; D517-Q520 HydrophobicContact CB-CG 4.11Å; D517-Q520 CarbonylContact O-C 3.59Å; D517-Q520 WeakPolarHBondContact O-CA 3.3Å; D517-Q520 WeakPolarHBondContact O-CB 3.24Å; D517-Q520 PolarHBondContact O-N 3.45Å; D517-F521 WeakPolarHBondContact O-CD1 3.49Å; D517-F521 PolarHBondContact O-N 2.87Å
518	P	74.3	Confident	90	Very high	65 Å²	65	31.8 Å²	31.8	42%	0.422	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-53.2	-26.4	176.6	-29.7	35.8	0	0	0	115.1	Q520 F521	P518-Q520 PolarHBondContact O-N 3Å; P518-F521 HydrophobicContact CB-CD2 4.38Å; P518-F521 HydrophobicContact CB-CE1 4.42Å; P518-F521 HydrophobicContact CB-CE2 3.99Å; P518-F521 HydrophobicContact CB-CZ 4Å; P518-F521 HydrophobicContact CG-CE1 4.27Å; P518-F521 HydrophobicContact CG-CE2 4.19Å; P518-F521 HydrophobicContact CG-CZ 3.78Å
519	S	73.3	Confident	89.9	Confident	32 Å²	32	34.3 Å²	34.3	22%	0.224	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-74.6	-13.4	174.2	89.6	0	0	0	0	114.7	D517	D517-S519 PolarHBondContact O-N 3.4Å; D517-S519 VanDerWaalsContact O-N 3.07Å; D517-S519 VanDerWaalsContact OD2-CB 3.26Å; D517-S519 WeakPolarHBondContact OD2-CB 3.44Å; D517-S519 PolarHBondContact OD2-N 3.25Å; D517-S519 PolarHBondContact OD2-OG 3.37Å
520	Q	82	Confident	89.7	Confident	72 Å²	72	31.9 Å²	31.9	34%	0.336	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-115.4	11.1	-177.4	-57.4	-52.1	-45.1	0	0	111.8	L446 C514 D517 P518 A522	L446-Q520 HydrophobicContact CD1-CB 3.78Å; L446-Q520 HydrophobicContact CD1-CG 4.42Å; L446-Q520 VanDerWaalsContact CD1-O 3.29Å; L446-Q520 WeakPolarHBondContact CD1-O 3.35Å; L446-Q520 HydrophobicContact CG-CB 4.47Å; C514-Q520 WeakPolarHBondContact CB-O 3.38Å; D517-Q520 HydrophobicContact CB-CB 4.26Å; D517-Q520 HydrophobicContact CB-CG 4.11Å; D517-Q520 CarbonylContact O-C 3.59Å; D517-Q520 WeakPolarHBondContact O-CA 3.3Å; D517-Q520 WeakPolarHBondContact O-CB 3.24Å; D517-Q520 PolarHBondContact O-N 3.45Å; P518-Q520 PolarHBondContact O-N 3Å; Q520-A522 PolarHBondContact O-N 3.34Å; Q520-A522 VanDerWaalsContact O-N 3.15Å
521	F	89	Confident	89.5	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.026	19%	0.194	C	C	.	.			trans	-59.8	120.6	177	-75.4	-4.9	0	0	0	110.9	V431 Y478 V489 F492 C514 D517 P518	V431-F521 HydrophobicContact CB-CZ 4.38Å; V431-F521 HydrophobicContact CG1-CE1 4.3Å; V431-F521 HydrophobicContact CG1-CZ 3.88Å; V431-F521 HydrophobicContact CG2-CE2 3.83Å; V431-F521 HydrophobicContact CG2-CZ 3.54Å; Y478-F521 PolarHBondContact N-O 2.97Å; V489-F521 HydrophobicContact CG1-CE2 4.1Å; V489-F521 HydrophobicContact CG2-CE2 4.16Å; F492-F521 HydrophobicContact CD1-CB 4.04Å; F492-F521 HydrophobicContact CD1-CD1 4.47Å; F492-F521 AromaticContact CD1-CD2 3.42Å; F492-F521 HydrophobicContact CD1-CD2 3.42Å; F492-F521 VanDerWaalsContact CD1-CD2 3.42Å; F492-F521 AromaticContact CD1-CE2 3.94Å; F492-F521 HydrophobicContact CD1-CE2 3.94Å; F492-F521 AromaticContact CD1-CG 3.74Å; F492-F521 HydrophobicContact CD1-CG 3.74Å; F492-F521 HydrophobicContact CD2-CB 4.42Å; F492-F521 HydrophobicContact CE1-CB 3.87Å; F492-F521 AromaticContact CE1-CD1 3.88Å; F492-F521 HydrophobicContact CE1-CD1 3.88Å; F492-F521 AromaticContact CE1-CD2 3.68Å; F492-F521 HydrophobicContact CE1-CD2 3.68Å; F492-F521 HydrophobicContact CE1-CE1 4.34Å; F492-F521 HydrophobicContact CE1-CE2 4.16Å; F492-F521 AromaticContact CE1-CG 3.53Å; F492-F521 HydrophobicContact CE1-CG 3.53Å; F492-F521 HydrophobicContact CE1-CZ 4.47Å; F492-F521 HydrophobicContact CE2-CB 4.26Å; F492-F521 HydrophobicContact CG-CB 4.29Å; F492-F521 HydrophobicContact CG-CD2 4.17Å; F492-F521 HydrophobicContact CG-CG 4.45Å; F492-F521 HydrophobicContact CZ-CB 3.97Å; F492-F521 HydrophobicContact CZ-CD1 4.4Å; F492-F521 HydrophobicContact CZ-CG 4.09Å; C514-F521 WeakPolarHBondContact O-CA 3.27Å; C514-F521 WeakPolarHBondContact O-CD1 3.48Å; D517-F521 WeakPolarHBondContact O-CD1 3.49Å; D517-F521 PolarHBondContact O-N 2.87Å; P518-F521 HydrophobicContact CB-CD2 4.38Å; P518-F521 HydrophobicContact CB-CE1 4.42Å; P518-F521 HydrophobicContact CB-CE2 3.99Å; P518-F521 HydrophobicContact CB-CZ 4Å; P518-F521 HydrophobicContact CG-CE1 4.27Å; P518-F521 HydrophobicContact CG-CE2 4.19Å; P518-F521 HydrophobicContact CG-CZ 3.78Å
522	A	92.2	Very high	89.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	135.3	179.4	0	0	0	0	0	109.9	L446 V475 K476 R477 A513 C514 Q520	L446-A522 HydrophobicContact CD1-CB 4.46Å; L446-A522 HydrophobicContact CD2-CB 3.71Å; L446-A522 HydrophobicContact CG-CB 4.36Å; V475-A522 HydrophobicContact CG1-CB 3.83Å; K476-A522 VanDerWaalsContact O-CA 3.29Å; K476-A522 WeakPolarHBondContact O-CA 3.4Å; R477-A522 HydrophobicContact CG-CB 4.25Å; A513-A522 CarbonylContact C-O 3.54Å; A513-A522 VanDerWaalsContact CA-O 3.3Å; A513-A522 WeakPolarHBondContact CA-O 3.33Å; C514-A522 HydrophobicContact CB-CB 4.08Å; C514-A522 PolarHBondContact N-O 3.47Å; Q520-A522 PolarHBondContact O-N 3.34Å; Q520-A522 VanDerWaalsContact O-N 3.15Å
523	L	93.5	Very high	89.5	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.5	168.3	164.6	66.7	0	0	0	107.7	V475 K476 Y478 F492 E495 V496 L499 F510 T525	V475-L523 WeakPolarHBondContact CA-O 3.29Å; K476-L523 HydrophobicContact CB-CB 4.34Å; K476-L523 HydrophobicContact CD-CD2 4.37Å; K476-L523 PolarHBondContact N-O 3.03Å; K476-L523 PolarHBondContact O-N 3.29Å; Y478-L523 HydrophobicContact CE2-CB 3.94Å; F492-L523 HydrophobicContact CE2-CB 4.41Å; E495-L523 HydrophobicContact CG-CD2 3.89Å; E495-L523 WeakPolarHBondContact OE1-CD2 3.1Å; V496-L523 HydrophobicContact CG2-CB 4.41Å; V496-L523 HydrophobicContact CG2-CD1 4.1Å; L499-L523 HydrophobicContact CD1-CD1 3.92Å; L499-L523 HydrophobicContact CD1-CD2 3.45Å; L499-L523 VanDerWaalsContact CD1-CD2 3.45Å; L499-L523 HydrophobicContact CD1-CG 4.25Å; F510-L523 HydrophobicContact CD2-CD1 3.54Å; F510-L523 HydrophobicContact CE2-CD1 3.5Å; L523-T525 HydrophobicContact CD1-CG2 4.21Å; L523-T525 HydrophobicContact CD2-CG2 4.46Å; L523-T525 HydrophobicContact CG-CG2 4.12Å
524	V	95.5	Very high	89.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.6	179.5	-169.5	0	0	0	0	108.9	M444 I449 V473 A474 V475 V511 G512	M444-V524 HydrophobicContact CE-CB 4.19Å; M444-V524 HydrophobicContact CE-CG1 3.95Å; M444-V524 HydrophobicContact CE-CG2 3.94Å; M444-V524 HydrophobicContact SD-CB 3.88Å; M444-V524 HydrophobicContact SD-CG1 4.15Å; M444-V524 HydrophobicContact SD-CG2 3.87Å; I449-V524 HydrophobicContact CD1-CG2 3.75Å; V473-V524 HydrophobicContact CB-CG1 3.67Å; V473-V524 HydrophobicContact CG1-CG1 3.98Å; V473-V524 HydrophobicContact CG2-CG1 3.85Å; A474-V524 WeakPolarHBondContact O-CA 3.43Å; V475-V524 HydrophobicContact CG1-CG2 4.45Å; V475-V524 HydrophobicContact CG2-CG1 4.46Å; V511-V524 WeakPolarHBondContact CA-O 3.14Å; V511-V524 HydrophobicContact CB-CB 4.42Å; V511-V524 HydrophobicContact CB-CG1 4.11Å; V511-V524 WeakPolarHBondContact CB-O 3.23Å; V511-V524 HydrophobicContact CG1-CG1 4.19Å; V511-V524 PolarHBondContact N-O 2.9Å; G512-V524 PolarHBondContact N-O 2.97Å; G512-V524 VanDerWaalsContact N-O 3.09Å; G512-V524 WeakPolarHBondContact O-CA 3.44Å; G512-V524 WeakPolarHBondContact O-CB 3.34Å; G512-V524 PolarHBondContact O-N 3.44Å
525	T	96.4	Very high	89.5	Confident	9 Å²	9	35.3 Å²	35.3	6%	0.055	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	169.1	177.9	63.8	0	0	0	0	110.4	V473 A474 L499 L508 K509 V511 L523	V473-T525 WeakPolarHBondContact CA-O 3.12Å; V473-T525 WeakPolarHBondContact CB-O 3.21Å; A474-T525 PolarHBondContact N-O 3.1Å; A474-T525 PolarHBondContact O-N 3.42Å; L499-T525 HydrophobicContact CD1-CG2 4.41Å; L508-T525 HydrophobicContact CD2-CG2 3.94Å; L508-T525 HydrophobicContact CG-CG2 4.16Å; K509-T525 VanDerWaalsContact O-CA 3.28Å; K509-T525 WeakPolarHBondContact O-CA 3.41Å; K509-T525 VanDerWaalsContact O-CB 3.28Å; K509-T525 WeakPolarHBondContact O-CB 3.42Å; V511-T525 VanDerWaalsContact CG2-C 3.48Å; L523-T525 HydrophobicContact CD1-CG2 4.21Å; L523-T525 HydrophobicContact CD2-CG2 4.46Å; L523-T525 HydrophobicContact CG-CG2 4.12Å
526	E	95	Very high	89.8	Confident	78 Å²	78	36.4 Å²	36.4	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	147.4	164.9	-67.4	-176.5	174.1	0	0	109.5	K509 V511	K509-E526 HydrophobicContact CB-CB 4.47Å; K509-E526 HydrophobicContact CB-CG 4.15Å; K509-E526 WeakPolarHBondContact CD-OE1 3.45Å; K509-E526 WeakPolarHBondContact CE-OE1 3.4Å; K509-E526 HydrophobicContact CG-CG 4.4Å; K509-E526 IonicContact NZ-OE1 3.49Å; K509-E526 PolarHBondContact NZ-OE1 3.03Å; K509-E526 IonicContact NZ-OE2 2.61Å; K509-E526 PolarHBondContact O-N 3.49Å; V511-E526 HydrophobicContact CG2-CG 3.82Å
527	Y	95.7	Very high	90.5	Very high	54 Å²	54	32.5 Å²	32.5	21%	0.212	19%	0.193	C	C	.	.			trans	-90.7	124	178.1	174.2	-105.4	0	0	0	109.6	I455 K465 T472 A474	I455-Y527 HydrophobicContact CD1-CD2 3.91Å; I455-Y527 HydrophobicContact CD1-CE2 3.63Å; K465-Y527 HydrophobicContact CB-CE2 4.4Å; K465-Y527 HydrophobicContact CD-CE1 4.32Å; K465-Y527 HydrophobicContact CD-CE2 4.09Å; K465-Y527 HydrophobicContact CG-CD2 4.28Å; K465-Y527 HydrophobicContact CG-CE2 4.11Å; T472-Y527 HydrophobicContact CG2-CD1 3.61Å; T472-Y527 HydrophobicContact CG2-CE1 4.3Å; T472-Y527 HydrophobicContact CG2-CG 3.77Å; A474-Y527 HydrophobicContact CB-CD2 4.37Å
528	A	94.6	Very high	91.2	Very high	11 Å²	11	30.8 Å²	30.8	9%	0.091	18%	0.183	C	C	.	.			trans	-90.6	115.3	170.7	0	0	0	0	0	109.5	L581 E583	A528-L581 HydrophobicContact CB-CB 3.68Å; A528-L581 HydrophobicContact CB-CD1 3.99Å; A528-L581 HydrophobicContact CB-CG 4.42Å; A528-E583 WeakPolarHBondContact CA-OE2 3.47Å; A528-E583 HydrophobicContact CB-CB 4.47Å
529	S	93.4	Very high	91.9	Very high	70 Å²	70	33.6 Å²	33.6	49%	0.49	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.1	-171	60.9	0	0	0	0	114.7	G531 E583	S529-G531 VanDerWaalsContact C-N 3.29Å; S529-G531 PolarHBondContact O-N 2.95Å; S529-E583 WeakPolarHBondContact CB-OE2 3.38Å; S529-E583 PolarHBondContact N-OE2 3.18Å; S529-E583 PolarHBondContact OG-OE1 3.27Å; S529-E583 PolarHBondContact OG-OE2 3.27Å
530	G	91.6	Very high	92.6	Very high	41 Å²	41	38 Å²	38	42%	0.423	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.7	179.5	0	0	0	0	0	114.8	L582	G530-L582 WeakPolarHBondContact CA-O 3.24Å; G530-L582 PolarHBondContact N-O 3.47Å
531	G	92.9	Very high	92.8	Very high	26 Å²	26	41.3 Å²	41.3	27%	0.268	22%	0.22	S	C	.	.			trans	72.2	-164.5	-176.7	0	0	0	0	0	112.9	S529 L581 L582	S529-G531 VanDerWaalsContact C-N 3.29Å; S529-G531 PolarHBondContact O-N 2.95Å; G531-L581 CarbonylContact O-C 3.47Å; G531-L581 WeakPolarHBondContact O-CA 3.25Å; G531-L582 PolarHBondContact O-N 3.43Å
532	S	95	Very high	92.7	Very high	15 Å²	15	42.6 Å²	42.6	11%	0.105	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-86.3	151.8	176.9	66	0	0	0	0	111.8	F534 I535 L536 H578 V580	S532-F534 PolarHBondContact O-N 2.92Å; S532-I535 PolarHBondContact O-N 2.86Å; S532-I535 VanDerWaalsContact O-N 3.16Å; S532-I535 WeakPolarHBondContact OG-CG1 3.5Å; S532-I535 PolarHBondContact OG-N 2.89Å; S532-L536 PolarHBondContact O-N 2.97Å; S532-H578 WeakPolarHBondContact CB-O 3.47Å; S532-V580 CarbonylContact C-O 3.44Å; S532-V580 WeakPolarHBondContact CA-O 3.41Å
533	L	96.6	Very high	92.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-34.3	174.3	177.6	63.8	0	0	0	111.6	I535 L536 L537 I552 I556 S577 V580 I642	L533-I535 PolarHBondContact O-N 3.46Å; L533-L536 PolarHBondContact O-N 3.39Å; L533-L537 HydrophobicContact CD1-CD1 3.88Å; L533-L537 HydrophobicContact CD1-CD2 4.44Å; L533-L537 HydrophobicContact CD1-CG 3.9Å; L533-L537 HydrophobicContact CD2-CD1 4.37Å; L533-L537 HydrophobicContact CG-CD1 3.81Å; L533-L537 HydrophobicContact CG-CG 4.21Å; L533-L537 WeakPolarHBondContact O-CG 3.15Å; L533-L537 PolarHBondContact O-N 2.78Å; L533-I552 HydrophobicContact CD1-CD1 4.15Å; L533-I552 HydrophobicContact CD1-CG2 4.23Å; L533-I552 HydrophobicContact CD2-CG2 4Å; L533-I556 HydrophobicContact CD2-CD1 4.48Å; L533-S577 WeakPolarHBondContact CB-O 3.32Å; L533-S577 PolarHBondContact N-O 2.96Å; L533-V580 HydrophobicContact CB-CB 4.03Å; L533-V580 HydrophobicContact CB-CG1 4.14Å; L533-V580 HydrophobicContact CD2-CB 4.21Å; L533-V580 HydrophobicContact CD2-CG1 4.15Å; L533-V580 PolarHBondContact N-O 3.37Å; L533-I642 HydrophobicContact CD1-CG1 4.47Å; L533-I642 HydrophobicContact CD2-CD1 3.86Å; L533-I642 HydrophobicContact CD2-CG1 3.75Å
534	F	95.1	Very high	92	Very high	34 Å²	34	51.5 Å²	51.5	15%	0.149	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-47.3	174.9	-178	-86	0	0	0	112.5	S532 L536 L537 H538 E539 S577 H578 L647	S532-F534 PolarHBondContact O-N 2.92Å; F534-L536 VanDerWaalsContact C-N 3.31Å; F534-L536 PolarHBondContact O-N 3.25Å; F534-L537 PolarHBondContact O-N 3.46Å; F534-H538 AromaticContact CD2-CD2 3.55Å; F534-H538 HydrophobicContact CE1-CB 4.27Å; F534-H538 HydrophobicContact CE2-CB 4.42Å; F534-H538 AromaticContact CE2-CD2 3.72Å; F534-H538 HydrophobicContact CZ-CB 4.19Å; F534-H538 WeakPolarHBondContact O-CB 3.22Å; F534-H538 PolarHBondContact O-N 3.37Å; F534-E539 HydrophobicContact CE1-CG 4.38Å; F534-S577 PolarHBondContact N-O 3.07Å; F534-H578 HydrophobicContact CB-CB 4.48Å; F534-H578 AromaticContact CD1-CE1 3.38Å; F534-H578 WeakPolarHBondContact CD1-CE1 3.38Å; F534-H578 AromaticContact CD1-ND1 3.62Å; F534-H578 AromaticContact CD2-CD2 3.77Å; F534-H578 AromaticContact CD2-CE1 3.2Å; F534-H578 WeakPolarHBondContact CD2-CE1 3.32Å; F534-H578 AromaticContact CD2-ND1 3.73Å; F534-H578 AromaticContact CD2-NE2 3.24Å; F534-H578 WeakPolarHBondContact CD2-NE2 3.29Å; F534-H578 AromaticContact CE1-CE1 3.52Å; F534-H578 AromaticContact CE2-CE1 3.32Å; F534-H578 WeakPolarHBondContact CE2-CE1 3.33Å; F534-H578 AromaticContact CE2-NE2 3.31Å; F534-H578 VanDerWaalsContact CE2-NE2 3.31Å; F534-H578 WeakPolarHBondContact CE2-NE2 3.26Å; F534-H578 AromaticContact CG-CE1 3.23Å; F534-H578 WeakPolarHBondContact CG-CE1 3.48Å; F534-H578 AromaticContact CG-CG 3.95Å; F534-H578 AromaticContact CG-ND1 3.37Å; F534-H578 WeakPolarHBondContact CG-ND1 3.46Å; F534-H578 AromaticContact CG-NE2 3.75Å; F534-H578 AromaticContact CZ-CE1 3.49Å; F534-H578 VanDerWaalsContact CZ-CE1 3.49Å; F534-H578 WeakPolarHBondContact CZ-CE1 3.44Å; F534-H578 AromaticContact CZ-NE2 3.89Å; F534-L647 HydrophobicContact CD2-CD2 4.36Å; F534-L647 HydrophobicContact CE2-CD1 4.43Å; F534-L647 HydrophobicContact CE2-CD2 3.88Å
535	I	92.4	Very high	91.7	Very high	53 Å²	53	55.3 Å²	55.3	27%	0.272	30%	0.303	S	S	.	.	I	π-helix	trans	-61.2	-44.7	179	-68.4	172	0	0	0	109.5	S532 L533 L537 E539 Q540	S532-I535 PolarHBondContact O-N 2.86Å; S532-I535 VanDerWaalsContact O-N 3.16Å; S532-I535 WeakPolarHBondContact OG-CG1 3.5Å; S532-I535 PolarHBondContact OG-N 2.89Å; L533-I535 PolarHBondContact O-N 3.46Å; I535-L537 PolarHBondContact O-N 2.87Å; I535-E539 HydrophobicContact CG2-CB 4.23Å; I535-E539 WeakPolarHBondContact O-CB 3.03Å; I535-E539 PolarHBondContact O-N 3.22Å; I535-E539 VanDerWaalsContact O-N 3.14Å; I535-Q540 HydrophobicContact CG2-CG 4.15Å; I535-Q540 PolarHBondContact O-N 3.22Å
536	L	93.4	Very high	91.3	Very high	29 Å²	29	58.2 Å²	58.2	15%	0.152	32%	0.318	C	S	.	.	I	π-helix	trans	-60.6	-46.3	178.8	-176.4	66.2	0	0	0	112.3	S532 L533 F534 K541 A542 L544 L582	S532-L536 PolarHBondContact O-N 2.97Å; L533-L536 PolarHBondContact O-N 3.39Å; F534-L536 VanDerWaalsContact C-N 3.31Å; F534-L536 PolarHBondContact O-N 3.25Å; L536-K541 PolarHBondContact O-N 3.15Å; L536-A542 HydrophobicContact CD1-CB 3.47Å; L536-A542 VanDerWaalsContact CD1-CB 3.47Å; L536-A542 HydrophobicContact CG-CB 3.87Å; L536-A542 VanDerWaalsContact O-CB 3.28Å; L536-A542 WeakPolarHBondContact O-CB 3.38Å; L536-A542 PolarHBondContact O-N 3.29Å; L536-L544 HydrophobicContact CD2-CD1 4.11Å; L536-L544 HydrophobicContact CD2-CD2 3.97Å; L536-L544 HydrophobicContact CG-CD2 4.4Å; L536-L582 HydrophobicContact CB-CD1 4.18Å; L536-L582 HydrophobicContact CD2-CD1 3.36Å; L536-L582 HydrophobicContact CG-CD1 4.37Å
537	L	92.7	Very high	91.1	Very high	10 Å²	10	57.6 Å²	57.6	5%	0.052	32%	0.322	C	S	.	.	I	π-helix	trans	-77.5	-41.2	-175.8	-66.5	178.6	0	0	0	113.4	L533 F534 I535 K541 L544 E641 I642	L533-L537 HydrophobicContact CD1-CD1 3.88Å; L533-L537 HydrophobicContact CD1-CD2 4.44Å; L533-L537 HydrophobicContact CD1-CG 3.9Å; L533-L537 HydrophobicContact CD2-CD1 4.37Å; L533-L537 HydrophobicContact CG-CD1 3.81Å; L533-L537 HydrophobicContact CG-CG 4.21Å; L533-L537 WeakPolarHBondContact O-CG 3.15Å; L533-L537 PolarHBondContact O-N 2.78Å; F534-L537 PolarHBondContact O-N 3.46Å; I535-L537 PolarHBondContact O-N 2.87Å; L537-K541 WeakPolarHBondContact O-CA 3.41Å; L537-L544 HydrophobicContact CD2-CD1 3.95Å; L537-E641 HydrophobicContact CD1-CG 4.11Å; L537-I642 HydrophobicContact CD1-CG1 4.21Å
538	H	91.2	Very high	91	Very high	36 Å²	36	56.8 Å²	56.8	17%	0.167	32%	0.318	C	S	.	.	I	π-helix	trans	-111.9	-35.3	-166	-61.8	-64.9	0	0	0	114.6	F534 E641 L647	F534-H538 AromaticContact CD2-CD2 3.55Å; F534-H538 HydrophobicContact CE1-CB 4.27Å; F534-H538 HydrophobicContact CE2-CB 4.42Å; F534-H538 AromaticContact CE2-CD2 3.72Å; F534-H538 HydrophobicContact CZ-CB 4.19Å; F534-H538 WeakPolarHBondContact O-CB 3.22Å; F534-H538 PolarHBondContact O-N 3.37Å; H538-E641 IonicContact CD2-OE1 3.96Å; H538-E641 PolarHBondContact CD2-OE1 2.96Å; H538-E641 IonicContact CE1-OE1 3.83Å; H538-E641 IonicContact NE2-OE1 2.72Å; H538-E641 PolarHBondContact NE2-OE1 2.99Å; H538-L647 WeakPolarHBondContact NE2-CD2 3.41Å
539	E	87.9	Confident	91	Very high	124 Å²	124	58.2 Å²	58.2	58%	0.579	32%	0.323	S	S	*	.	I	π-helix	trans	-85.1	-47.1	177.2	-65.5	-178.5	-160	0	0	110.9	F534 I535	F534-E539 HydrophobicContact CE1-CG 4.38Å; I535-E539 HydrophobicContact CG2-CB 4.23Å; I535-E539 WeakPolarHBondContact O-CB 3.03Å; I535-E539 PolarHBondContact O-N 3.22Å; I535-E539 VanDerWaalsContact O-N 3.14Å
540	Q	87.9	Confident	91	Very high	126 Å²	126	55 Å²	55	59%	0.589	30%	0.3	S	S	*	.	S	Bend	trans	-84.5	-15.8	177.9	-62.7	177	5.7	0	0	112.8	I535 A542	I535-Q540 HydrophobicContact CG2-CG 4.15Å; I535-Q540 PolarHBondContact O-N 3.22Å; Q540-A542 PolarHBondContact O-N 3.45Å
541	K	87.3	Confident	91.2	Very high	140 Å²	140	54.9 Å²	54.9	61%	0.609	29%	0.293	S	S	*	.			trans	51.1	39.3	-177.6	-60.2	-174.5	178	-176.5	0	112.8	L536 L537 I543 D755	L536-K541 PolarHBondContact O-N 3.15Å; L537-K541 WeakPolarHBondContact O-CA 3.41Å; K541-I543 PolarHBondContact O-N 2.93Å; K541-D755 IonicContact NZ-OD2 3.01Å
542	A	85.5	Confident	91.4	Very high	33 Å²	33	53.7 Å²	53.7	27%	0.273	28%	0.28	S	S	.	.			trans	-68.2	127.3	-175.1	0	0	0	0	0	111.5	L536 Q540 L544	L536-A542 HydrophobicContact CD1-CB 3.47Å; L536-A542 VanDerWaalsContact CD1-CB 3.47Å; L536-A542 HydrophobicContact CG-CB 3.87Å; L536-A542 VanDerWaalsContact O-CB 3.28Å; L536-A542 WeakPolarHBondContact O-CB 3.38Å; L536-A542 PolarHBondContact O-N 3.29Å; Q540-A542 PolarHBondContact O-N 3.45Å; A542-L544 HydrophobicContact CB-CD2 4.18Å; A542-L544 PolarHBondContact O-N 3.25Å
543	I	83.5	Confident	91.4	Very high	168 Å²	168	53 Å²	53	86%	0.862	28%	0.275	S	S	*	.			trans	-85.9	104.6	173.8	-57	176	0	0	0	108.2	K541	K541-I543 PolarHBondContact O-N 2.93Å
544	L	88.2	Confident	91.4	Very high	24 Å²	24	53.6 Å²	53.6	13%	0.126	28%	0.278	C	S	.	.			trans	-87	136.1	-178.4	-55.2	-178.9	0	0	0	111.6	L536 L537 A542 R548 K549 I552	L536-L544 HydrophobicContact CD2-CD1 4.11Å; L536-L544 HydrophobicContact CD2-CD2 3.97Å; L536-L544 HydrophobicContact CG-CD2 4.4Å; L537-L544 HydrophobicContact CD2-CD1 3.95Å; A542-L544 HydrophobicContact CB-CD2 4.18Å; A542-L544 PolarHBondContact O-N 3.25Å; L544-R548 HydrophobicContact CB-CB 4.41Å; L544-R548 HydrophobicContact CB-CG 4.46Å; L544-R548 HydrophobicContact CD1-CG 4.48Å; L544-R548 HydrophobicContact CD2-CG 4.43Å; L544-K549 HydrophobicContact CB-CG 3.81Å; L544-K549 VanDerWaalsContact O-CE 3.27Å; L544-K549 WeakPolarHBondContact O-CE 3.09Å; L544-I552 HydrophobicContact CD1-CD1 3.82Å
545	P	88.9	Confident	91.6	Very high	79 Å²	79	52.7 Å²	52.7	51%	0.513	28%	0.275	S	S	.	.			trans	-63.3	155.6	170.9	28	-33.6	0	0	0	110.5	S547 R548 K549	P545-S547 VanDerWaalsContact C-N 3.28Å; P545-S547 PolarHBondContact O-N 3.44Å; P545-R548 HydrophobicContact CG-CB 3.82Å; P545-R548 PolarHBondContact O-N 3.27Å; P545-K549 PolarHBondContact O-N 3.47Å
546	L	89	Confident	91.8	Very high	71 Å²	71	50.1 Å²	50.1	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-56.4	-42	-176.1	178.7	60.5	0	0	0	112.3	R548 K549 L550 P675 I710	L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.05Å; L546-K549 WeakPolarHBondContact O-CB 3.14Å; L546-K549 PolarHBondContact O-N 3.38Å; L546-L550 HydrophobicContact CD1-CD1 4.01Å; L546-L550 HydrophobicContact CD1-CD2 4.44Å; L546-L550 HydrophobicContact CD1-CG 3.97Å; L546-L550 HydrophobicContact CG-CD1 3.89Å; L546-L550 HydrophobicContact CG-CG 4.29Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.17Å; L546-L550 PolarHBondContact O-N 2.95Å; L546-P675 HydrophobicContact CD1-CG 3.71Å; L546-P675 HydrophobicContact CD2-CG 4.35Å; L546-I710 HydrophobicContact CD2-CD1 4Å; L546-I710 HydrophobicContact CG-CD1 4.45Å
547	S	90.6	Very high	92	Very high	64 Å²	64	49 Å²	49	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-55.6	-43.8	176.1	54.1	0	0	0	0	112.3	P545 S551	P545-S547 VanDerWaalsContact C-N 3.28Å; P545-S547 PolarHBondContact O-N 3.44Å; S547-S551 WeakPolarHBondContact O-CB 3.45Å; S547-S551 PolarHBondContact O-N 3.11Å
548	R	93.3	Very high	92.2	Very high	38 Å²	38	51.8 Å²	51.8	14%	0.143	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-43.4	177	-171.8	70.3	-172.2	140.5	-1.1	112	L544 P545 L546 L550 S551 I552 G584 D585	L544-R548 HydrophobicContact CB-CB 4.41Å; L544-R548 HydrophobicContact CB-CG 4.46Å; L544-R548 HydrophobicContact CD1-CG 4.48Å; L544-R548 HydrophobicContact CD2-CG 4.43Å; P545-R548 HydrophobicContact CG-CB 3.82Å; P545-R548 PolarHBondContact O-N 3.27Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.05Å; R548-L550 VanDerWaalsContact C-N 3.32Å; R548-L550 PolarHBondContact O-N 2.91Å; R548-S551 PolarHBondContact O-N 2.95Å; R548-I552 HydrophobicContact CG-CD1 4.04Å; R548-I552 VanDerWaalsContact O-CG1 3.3Å; R548-I552 WeakPolarHBondContact O-CG1 3.21Å; R548-I552 PolarHBondContact O-N 3.37Å; R548-G584 PolarHBondContact NH2-O 3.16Å; R548-D585 IonicContact CZ-OD1 3.01Å; R548-D585 VanDerWaalsContact NH1-CA 3.29Å; R548-D585 PolarHBondContact NH1-O 3.26Å; R548-D585 IonicContact NH1-OD1 3.55Å
549	K	94.3	Very high	92.5	Very high	41 Å²	41	50.1 Å²	50.1	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-47.3	176.4	-70.6	-177.5	169.9	-172.7	0	111.3	L544 P545 L546 I552 G553 I642 H643	L544-K549 HydrophobicContact CB-CG 3.81Å; L544-K549 VanDerWaalsContact O-CE 3.27Å; L544-K549 WeakPolarHBondContact O-CE 3.09Å; P545-K549 PolarHBondContact O-N 3.47Å; L546-K549 WeakPolarHBondContact O-CB 3.14Å; L546-K549 PolarHBondContact O-N 3.38Å; K549-I552 PolarHBondContact O-N 3.34Å; K549-G553 PolarHBondContact O-N 3.37Å; K549-G553 VanDerWaalsContact O-N 3.1Å; K549-I642 HydrophobicContact CB-CG2 3.65Å; K549-I642 HydrophobicContact CD-CG2 4.46Å; K549-I642 VanDerWaalsContact CE-O 3.24Å; K549-I642 WeakPolarHBondContact CE-O 3.39Å; K549-I642 HydrophobicContact CG-CG2 3.74Å; K549-H643 PolarHBondContact NZ-O 3Å
550	L	94.3	Very high	92.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-42.1	179.1	-66.3	174.8	0	0	0	112.5	L546 R548 I552 G553 L554 V678 M703 F706 I710	L546-L550 HydrophobicContact CD1-CD1 4.01Å; L546-L550 HydrophobicContact CD1-CD2 4.44Å; L546-L550 HydrophobicContact CD1-CG 3.97Å; L546-L550 HydrophobicContact CG-CD1 3.89Å; L546-L550 HydrophobicContact CG-CG 4.29Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.17Å; L546-L550 PolarHBondContact O-N 2.95Å; R548-L550 VanDerWaalsContact C-N 3.32Å; R548-L550 PolarHBondContact O-N 2.91Å; L550-I552 VanDerWaalsContact C-N 3.34Å; L550-I552 PolarHBondContact O-N 3.41Å; L550-G553 PolarHBondContact O-N 3.46Å; L550-L554 WeakPolarHBondContact O-CB 3.23Å; L550-L554 PolarHBondContact O-N 3.2Å; L550-V678 HydrophobicContact CD2-CG2 3.6Å; L550-M703 WeakPolarHBondContact O-CE 3.47Å; L550-F706 HydrophobicContact CD1-CD1 4.06Å; L550-F706 HydrophobicContact CD1-CE1 3.8Å; L550-F706 HydrophobicContact CD2-CD1 3.87Å; L550-F706 HydrophobicContact CD2-CE1 3.78Å; L550-F706 HydrophobicContact CG-CE1 4.47Å; L550-I710 HydrophobicContact CD1-CD1 3.19Å
551	S	94.8	Very high	93.2	Very high	39 Å²	39	43 Å²	43	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-57.8	-46	175.4	-174.4	0	0	0	0	111.7	S547 R548 L554 D555	S547-S551 WeakPolarHBondContact O-CB 3.45Å; S547-S551 PolarHBondContact O-N 3.11Å; R548-S551 PolarHBondContact O-N 2.95Å; S551-L554 PolarHBondContact O-N 3.37Å; S551-D555 WeakPolarHBondContact O-CB 3.39Å; S551-D555 PolarHBondContact O-N 3.46Å
552	I	97	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-47.6	177.9	-66.8	167.1	0	0	0	110.2	L533 L544 R548 K549 L550 L554 D555 I556 L582 A587 I642	L533-I552 HydrophobicContact CD1-CD1 4.15Å; L533-I552 HydrophobicContact CD1-CG2 4.23Å; L533-I552 HydrophobicContact CD2-CG2 4Å; L544-I552 HydrophobicContact CD1-CD1 3.82Å; R548-I552 HydrophobicContact CG-CD1 4.04Å; R548-I552 VanDerWaalsContact O-CG1 3.3Å; R548-I552 WeakPolarHBondContact O-CG1 3.21Å; R548-I552 PolarHBondContact O-N 3.37Å; K549-I552 PolarHBondContact O-N 3.34Å; L550-I552 VanDerWaalsContact C-N 3.34Å; L550-I552 PolarHBondContact O-N 3.41Å; I552-L554 VanDerWaalsContact C-N 3.32Å; I552-L554 PolarHBondContact O-N 3.39Å; I552-D555 PolarHBondContact O-N 2.84Å; I552-I556 HydrophobicContact CG2-CD1 3.94Å; I552-I556 VanDerWaalsContact O-CG1 3.27Å; I552-I556 WeakPolarHBondContact O-CG1 3.28Å; I552-I556 PolarHBondContact O-N 2.85Å; I552-L582 HydrophobicContact CD1-CD2 4.44Å; I552-L582 HydrophobicContact CG1-CD2 4.46Å; I552-A587 HydrophobicContact CB-CB 4.31Å; I552-A587 HydrophobicContact CG1-CB 4.38Å; I552-A587 HydrophobicContact CG2-CB 3.89Å; I552-I642 HydrophobicContact CB-CD1 4.33Å; I552-I642 HydrophobicContact CG2-CD1 3.59Å; I552-I642 HydrophobicContact CG2-CG1 4.38Å
553	G	96.6	Very high	94.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-39.2	177.6	0	0	0	0	0	113	K549 L550 A557 Y635 M703	K549-G553 PolarHBondContact O-N 3.37Å; K549-G553 VanDerWaalsContact O-N 3.1Å; L550-G553 PolarHBondContact O-N 3.46Å; G553-A557 WeakPolarHBondContact O-CB 3.33Å; G553-A557 PolarHBondContact O-N 3.37Å; G553-Y635 WeakPolarHBondContact O-CE2 3.2Å; G553-M703 VanDerWaalsContact C-CE 3.48Å
554	L	96.6	Very high	94.6	Very high	13 Å²	13	31.1 Å²	31.1	7%	0.068	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-41.8	178.3	176.6	60.9	0	0	0	111.5	L550 S551 I552 A557 K558 V700 M703 C707	L550-L554 WeakPolarHBondContact O-CB 3.23Å; L550-L554 PolarHBondContact O-N 3.2Å; S551-L554 PolarHBondContact O-N 3.37Å; I552-L554 VanDerWaalsContact C-N 3.32Å; I552-L554 PolarHBondContact O-N 3.39Å; L554-A557 WeakPolarHBondContact O-CB 3.5Å; L554-A557 PolarHBondContact O-N 3.22Å; L554-K558 HydrophobicContact CD1-CG 4.38Å; L554-K558 HydrophobicContact CG-CD 4.29Å; L554-K558 WeakPolarHBondContact O-CG 3.45Å; L554-K558 PolarHBondContact O-N 3.34Å; L554-V700 HydrophobicContact CD1-CG1 4.24Å; L554-M703 HydrophobicContact CB-CB 4.47Å; L554-M703 HydrophobicContact CB-CE 4.16Å; L554-M703 HydrophobicContact CB-SD 4.27Å; L554-M703 HydrophobicContact CD1-CB 3.75Å; L554-M703 VanDerWaalsContact N-CE 3.31Å; L554-M703 PolarHBondContact N-SD 2.97Å; L554-C707 HydrophobicContact CD2-CB 4.32Å
555	D	97.8	Very high	94.8	Very high	15 Å²	15	33 Å²	33	8%	0.08	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-44.7	176.4	-83.2	-13	0	0	0	112	N506 S551 I552 A557 K558 G559 T586 A587	N506-D555 WeakPolarHBondContact CB-O 3.27Å; N506-D555 WeakPolarHBondContact ND2-CB 3.23Å; N506-D555 PolarHBondContact ND2-OD1 2.77Å; S551-D555 WeakPolarHBondContact O-CB 3.39Å; S551-D555 PolarHBondContact O-N 3.46Å; I552-D555 PolarHBondContact O-N 2.84Å; D555-A557 VanDerWaalsContact C-N 3.33Å; D555-A557 PolarHBondContact O-N 3.14Å; D555-K558 PolarHBondContact O-N 3.03Å; D555-G559 PolarHBondContact O-N 3.28Å; D555-T586 WeakPolarHBondContact OD2-CA 3.39Å; D555-A587 HydrophobicContact CB-CB 3.74Å; D555-A587 PolarHBondContact OD2-N 2.65Å
556	I	97.8	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.1	-60.4	162.5	0	0	0	109.8	L533 I552 K558 G559 M560 L575 V580 A587 V589 Y635 I642	L533-I556 HydrophobicContact CD2-CD1 4.48Å; I552-I556 HydrophobicContact CG2-CD1 3.94Å; I552-I556 VanDerWaalsContact O-CG1 3.27Å; I552-I556 WeakPolarHBondContact O-CG1 3.28Å; I552-I556 PolarHBondContact O-N 2.85Å; I556-K558 PolarHBondContact O-N 2.86Å; I556-G559 PolarHBondContact O-N 2.73Å; I556-M560 HydrophobicContact CG2-CG 4.31Å; I556-M560 WeakPolarHBondContact O-CG 3.28Å; I556-M560 PolarHBondContact O-N 3.07Å; I556-L575 HydrophobicContact CG2-CD1 4.23Å; I556-L575 HydrophobicContact CG2-CD2 4.14Å; I556-V580 HydrophobicContact CD1-CG1 4.03Å; I556-V580 HydrophobicContact CD1-CG2 3.86Å; I556-V580 HydrophobicContact CG1-CG1 3.96Å; I556-V580 HydrophobicContact CG1-CG2 3.97Å; I556-A587 HydrophobicContact CG1-CB 4.49Å; I556-V589 HydrophobicContact CG2-CG2 4.17Å; I556-Y635 HydrophobicContact CB-CD2 4.28Å; I556-Y635 HydrophobicContact CB-CE2 4.28Å; I556-Y635 HydrophobicContact CG2-CD2 3.7Å; I556-Y635 HydrophobicContact CG2-CE2 4.21Å; I556-I642 HydrophobicContact CD1-CD1 4.03Å
557	A	96.7	Very high	94.9	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-44.1	178.9	0	0	0	0	0	112.2	G553 L554 D555 M560 E561 Y635 I699 V700 M703	G553-A557 WeakPolarHBondContact O-CB 3.33Å; G553-A557 PolarHBondContact O-N 3.37Å; L554-A557 WeakPolarHBondContact O-CB 3.5Å; L554-A557 PolarHBondContact O-N 3.22Å; D555-A557 VanDerWaalsContact C-N 3.33Å; D555-A557 PolarHBondContact O-N 3.14Å; A557-M560 PolarHBondContact O-N 2.87Å; A557-E561 WeakPolarHBondContact O-CB 3.48Å; A557-E561 PolarHBondContact O-N 3.3Å; A557-Y635 HydrophobicContact CB-CE2 3.79Å; A557-I699 HydrophobicContact CB-CG2 4.01Å; A557-V700 HydrophobicContact CB-CG2 3.82Å; A557-V700 WeakPolarHBondContact O-CG2 3.37Å; A557-M703 HydrophobicContact CB-SD 4.22Å
558	K	97.1	Very high	94.7	Very high	69 Å²	69	34.3 Å²	34.3	30%	0.3	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-43.3	175.3	-72.8	170.5	178.3	170	0	111.7	L554 D555 I556 Y562 V700	L554-K558 HydrophobicContact CD1-CG 4.38Å; L554-K558 HydrophobicContact CG-CD 4.29Å; L554-K558 WeakPolarHBondContact O-CG 3.45Å; L554-K558 PolarHBondContact O-N 3.34Å; D555-K558 PolarHBondContact O-N 3.03Å; I556-K558 PolarHBondContact O-N 2.86Å; K558-Y562 WeakPolarHBondContact O-CB 3.25Å; K558-Y562 PolarHBondContact O-N 3.41Å; K558-V700 HydrophobicContact CG-CG1 3.87Å; K558-V700 HydrophobicContact CG-CG2 4.36Å
559	G	97.1	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-46.3	175.4	0	0	0	0	0	112.4	D555 I556 Y562 L563	D555-G559 PolarHBondContact O-N 3.28Å; I556-G559 PolarHBondContact O-N 2.73Å; G559-Y562 WeakPolarHBondContact O-CB 3.32Å; G559-Y562 PolarHBondContact O-N 3.24Å; G559-L563 VanDerWaalsContact O-CG 3.31Å; G559-L563 WeakPolarHBondContact O-CG 3.47Å; G559-L563 PolarHBondContact O-N 3.09Å; G559-L563 VanDerWaalsContact O-N 3.12Å
560	M	96.5	Very high	94.5	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.039	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-40.7	178.8	-65.3	-52.7	-56.2	0	0	113	I556 A557 Y562 L563 H564 H572 L575 V589 D631	I556-M560 HydrophobicContact CG2-CG 4.31Å; I556-M560 WeakPolarHBondContact O-CG 3.28Å; I556-M560 PolarHBondContact O-N 3.07Å; A557-M560 PolarHBondContact O-N 2.87Å; M560-Y562 VanDerWaalsContact C-N 3.3Å; M560-Y562 PolarHBondContact O-N 3.3Å; M560-L563 HydrophobicContact CE-CD1 4.25Å; M560-L563 PolarHBondContact O-N 2.83Å; M560-L563 HydrophobicContact SD-CD1 3.88Å; M560-H564 WeakPolarHBondContact CE-NE2 3.37Å; M560-H564 WeakPolarHBondContact O-CB 3.4Å; M560-H564 VanDerWaalsContact O-CG 3.31Å; M560-H564 PolarHBondContact O-N 3.27Å; M560-H572 HydrophobicContact CE-CB 3.84Å; M560-H572 HydrophobicContact SD-CB 4.37Å; M560-L575 HydrophobicContact CE-CD2 4.36Å; M560-L575 HydrophobicContact CG-CD2 3.83Å; M560-L575 HydrophobicContact SD-CD1 4.13Å; M560-L575 HydrophobicContact SD-CD2 3.81Å; M560-L575 HydrophobicContact SD-CG 4.49Å; M560-V589 HydrophobicContact SD-CG1 4.07Å; M560-V589 HydrophobicContact SD-CG2 4.36Å; M560-D631 HydrophobicContact CE-CB 3.61Å; M560-D631 WeakPolarHBondContact CE-OD2 3.2Å
561	E	95.1	Very high	94.3	Very high	92 Å²	92	32 Å²	32	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-42.1	174.3	-176.6	177.3	-107.5	0	0	111.1	A557 H564 G565 V700	A557-E561 WeakPolarHBondContact O-CB 3.48Å; A557-E561 PolarHBondContact O-N 3.3Å; E561-H564 PolarHBondContact O-N 3.37Å; E561-G565 WeakPolarHBondContact O-CA 3.3Å; E561-G565 PolarHBondContact O-N 2.88Å; E561-V700 HydrophobicContact CB-CG2 3.82Å; E561-V700 HydrophobicContact CG-CG2 4.33Å
562	Y	96.5	Very high	94.2	Very high	55 Å²	55	30.2 Å²	30.2	22%	0.216	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-50	173.1	169.6	-101.4	0	0	0	111.8	L502 N503 H504 V507 K558 G559 M560 H564 G565 L566	L502-Y562 HydrophobicContact CB-CE1 4.25Å; L502-Y562 HydrophobicContact CD2-CE1 4.01Å; N503-Y562 PolarHBondContact N-OH 2.7Å; H504-Y562 HydrophobicContact CB-CD1 3.55Å; H504-Y562 HydrophobicContact CB-CD2 4.03Å; H504-Y562 HydrophobicContact CB-CE1 3.69Å; H504-Y562 HydrophobicContact CB-CE2 4.17Å; H504-Y562 HydrophobicContact CB-CG 3.72Å; H504-Y562 AromaticContact CD2-CD2 3.72Å; H504-Y562 AromaticContact CD2-CG 3.69Å; H504-Y562 AromaticContact CG-CD1 3.99Å; H504-Y562 AromaticContact CG-CG 3.71Å; V507-Y562 HydrophobicContact CG2-CD1 4Å; K558-Y562 WeakPolarHBondContact O-CB 3.25Å; K558-Y562 PolarHBondContact O-N 3.41Å; G559-Y562 WeakPolarHBondContact O-CB 3.32Å; G559-Y562 PolarHBondContact O-N 3.24Å; M560-Y562 VanDerWaalsContact C-N 3.3Å; M560-Y562 PolarHBondContact O-N 3.3Å; Y562-H564 PolarHBondContact O-N 3.1Å; Y562-G565 PolarHBondContact O-N 3.21Å; Y562-L566 HydrophobicContact CE1-CD2 4.43Å; Y562-L566 HydrophobicContact CE2-CD2 4.04Å; Y562-L566 WeakPolarHBondContact O-CG 3.49Å; Y562-L566 PolarHBondContact O-N 3.07Å
563	L	95.4	Very high	93.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-44	-179.7	-66.6	172.2	0	0	0	112.4	L502 V507 G559 M560 G565 V570 V589 F592	L502-L563 HydrophobicContact CD1-CD2 3.63Å; L502-L563 HydrophobicContact CD2-CD2 3.81Å; L502-L563 HydrophobicContact CG-CD2 4.34Å; V507-L563 HydrophobicContact CG2-CD2 4.45Å; V507-L563 HydrophobicContact CG2-CG 4.41Å; G559-L563 VanDerWaalsContact O-CG 3.31Å; G559-L563 WeakPolarHBondContact O-CG 3.47Å; G559-L563 PolarHBondContact O-N 3.09Å; G559-L563 VanDerWaalsContact O-N 3.12Å; M560-L563 HydrophobicContact CE-CD1 4.25Å; M560-L563 PolarHBondContact O-N 2.83Å; M560-L563 HydrophobicContact SD-CD1 3.88Å; L563-G565 VanDerWaalsContact C-N 3.33Å; L563-V570 HydrophobicContact CB-CB 4.35Å; L563-V570 HydrophobicContact CD2-CB 4.24Å; L563-V570 HydrophobicContact CD2-CG1 4.37Å; L563-V570 PolarHBondContact O-N 3.45Å; L563-V589 HydrophobicContact CD1-CG1 4.4Å; L563-F592 HydrophobicContact CD1-CE1 3.66Å; L563-F592 HydrophobicContact CD1-CZ 4.1Å; L563-F592 HydrophobicContact CD2-CE1 3.73Å; L563-F592 HydrophobicContact CD2-CZ 4.23Å; L563-F592 HydrophobicContact CG-CE1 4.36Å
564	H	93.6	Very high	93.5	Very high	38 Å²	38	32.3 Å²	32.3	18%	0.176	19%	0.187	C	C	.	.	H	α-helix	trans	-74.4	-25.2	-179.4	-65.6	176.7	0	0	0	112.6	M560 E561 Y562 P569 V570 T628 D631	M560-H564 WeakPolarHBondContact CE-NE2 3.37Å; M560-H564 WeakPolarHBondContact O-CB 3.4Å; M560-H564 VanDerWaalsContact O-CG 3.31Å; M560-H564 PolarHBondContact O-N 3.27Å; E561-H564 PolarHBondContact O-N 3.37Å; Y562-H564 PolarHBondContact O-N 3.1Å; H564-P569 WeakPolarHBondContact O-CB 3.36Å; H564-P569 WeakPolarHBondContact O-CG 3.42Å; H564-V570 PolarHBondContact CD2-O 2.76Å; H564-T628 HydrophobicContact CB-CG2 4.11Å; H564-T628 PolarHBondContact CE1-O 2.78Å; H564-T628 VanDerWaalsContact CE1-O 3.31Å; H564-D631 IonicContact CD2-OD2 3.89Å; H564-D631 IonicContact CE1-OD2 3.35Å; H564-D631 IonicContact NE2-OD2 3.72Å; H564-D631 PolarHBondContact NE2-OD2 3.49Å
565	G	92.3	Very high	93.5	Very high	63 Å²	63	31.7 Å²	31.7	65%	0.649	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.3	179.1	0	0	0	0	0	115.4	E561 Y562 L563	E561-G565 WeakPolarHBondContact O-CA 3.3Å; E561-G565 PolarHBondContact O-N 2.88Å; Y562-G565 PolarHBondContact O-N 3.21Å; L563-G565 VanDerWaalsContact C-N 3.33Å
566	L	91.6	Very high	93.3	Very high	33 Å²	33	31.1 Å²	31.1	17%	0.173	18%	0.18	C	C	.	.	S	Bend	trans	-61.7	151.8	175.6	-70.1	171.5	0	0	0	111.4	L502 Y562 V568 P569 V570	L502-L566 HydrophobicContact CD2-CD1 3.48Å; L502-L566 VanDerWaalsContact CD2-CD1 3.48Å; Y562-L566 HydrophobicContact CE1-CD2 4.43Å; Y562-L566 HydrophobicContact CE2-CD2 4.04Å; Y562-L566 WeakPolarHBondContact O-CG 3.49Å; Y562-L566 PolarHBondContact O-N 3.07Å; L566-V568 CarbonylContact O-C 3.49Å; L566-V568 PolarHBondContact O-N 3.29Å; L566-P569 VanDerWaalsContact O-CD 3.31Å; L566-P569 WeakPolarHBondContact O-CD 3.45Å; L566-V570 HydrophobicContact CD1-CB 4.47Å; L566-V570 HydrophobicContact CD1-CG2 3.84Å
567	P	88.1	Confident	93.2	Very high	134 Å²	134	31.1 Å²	31.1	87%	0.87	18%	0.18	S	C	*	.	S	Bend	trans	-53.7	-32	176.7	-26.8	34.2	0	0	0	113.7
568	V	87	Confident	93.1	Very high	74 Å²	74	34.4 Å²	34.4	45%	0.448	19%	0.194	S	C	.	.	S	Bend	trans	-118.6	99.3	163.8	-175.3	0	0	0	0	106.5	L566 V570 F597	L566-V568 CarbonylContact O-C 3.49Å; L566-V568 PolarHBondContact O-N 3.29Å; V568-V570 PolarHBondContact O-N 3.09Å; V568-F597 HydrophobicContact CB-CD1 4.34Å; V568-F597 HydrophobicContact CG1-CB 3.73Å; V568-F597 HydrophobicContact CG1-CD1 3.87Å; V568-F597 HydrophobicContact CG1-CG 4.12Å
569	P	90.7	Very high	93	Very high	28 Å²	28	31.8 Å²	31.8	18%	0.182	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-54.9	140.2	-175.1	-29.8	36.7	0	0	0	112	H564 L566 F597 L598	H564-P569 WeakPolarHBondContact O-CB 3.36Å; H564-P569 WeakPolarHBondContact O-CG 3.42Å; L566-P569 VanDerWaalsContact O-CD 3.31Å; L566-P569 WeakPolarHBondContact O-CD 3.45Å; P569-F597 CarbonylContact O-C 3.36Å; P569-F597 WeakPolarHBondContact O-CA 3.29Å; P569-L598 HydrophobicContact CB-CB 3.96Å; P569-L598 HydrophobicContact CB-CD2 4.09Å; P569-L598 HydrophobicContact CG-CB 4.43Å; P569-L598 HydrophobicContact CG-CD2 4.04Å; P569-L598 WeakPolarHBondContact O-CB 3.45Å; P569-L598 PolarHBondContact O-N 2.96Å
570	V	91.7	Very high	93	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.3	173.1	175.4	0	0	0	0	108.4	I498 L563 H564 L566 V568 F592 R596 F597	I498-V570 HydrophobicContact CD1-CG1 4.47Å; I498-V570 HydrophobicContact CG2-CG1 3.83Å; I498-V570 HydrophobicContact CG2-CG2 4.21Å; L563-V570 HydrophobicContact CB-CB 4.35Å; L563-V570 HydrophobicContact CD2-CB 4.24Å; L563-V570 HydrophobicContact CD2-CG1 4.37Å; L563-V570 PolarHBondContact O-N 3.45Å; H564-V570 PolarHBondContact CD2-O 2.76Å; L566-V570 HydrophobicContact CD1-CB 4.47Å; L566-V570 HydrophobicContact CD1-CG2 3.84Å; V568-V570 PolarHBondContact O-N 3.09Å; V570-F592 HydrophobicContact CG1-CD1 4.46Å; V570-R596 WeakPolarHBondContact CA-O 3.41Å; V570-F597 HydrophobicContact CG2-CD1 3.77Å; V570-F597 HydrophobicContact CG2-CE1 3.71Å
571	I	90.5	Very high	93	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.5	172.7	-50.2	167.6	0	0	0	107.3	R573 S595 R596 L598 Y626 T628 D631	I571-R573 HydrophobicContact CB-CG 4.18Å; I571-R573 HydrophobicContact CG2-CG 3.68Å; I571-S595 CarbonylContact O-C 3.57Å; I571-S595 WeakPolarHBondContact O-CA 3.5Å; I571-S595 VanDerWaalsContact O-CB 3.27Å; I571-S595 WeakPolarHBondContact O-CB 3.46Å; I571-R596 PolarHBondContact N-O 3.14Å; I571-R596 PolarHBondContact O-N 3.46Å; I571-L598 HydrophobicContact CD1-CB 4.16Å; I571-L598 HydrophobicContact CD1-CD1 3.41Å; I571-L598 VanDerWaalsContact CD1-CD1 3.41Å; I571-L598 HydrophobicContact CD1-CG 4.38Å; I571-L598 HydrophobicContact CG1-CB 4.32Å; I571-L598 HydrophobicContact CG1-CD1 4.24Å; I571-Y626 WeakPolarHBondContact CD1-O 3.47Å; I571-Y626 HydrophobicContact CG2-CD1 3.44Å; I571-Y626 VanDerWaalsContact CG2-CD1 3.44Å; I571-Y626 HydrophobicContact CG2-CE1 3.82Å; I571-Y626 HydrophobicContact CG2-CG 4.44Å; I571-T628 HydrophobicContact CG1-CG2 4.33Å; I571-D631 WeakPolarHBondContact CA-OD2 3.48Å; I571-D631 WeakPolarHBondContact CG2-OD2 3.37Å
572	H	92.1	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.			trans	-69	-45.8	-173.3	-167	-66.1	0	0	0	112.1	M560 D574 V589 A590 D591 F592 E594 S595 D631	M560-H572 HydrophobicContact CE-CB 3.84Å; M560-H572 HydrophobicContact SD-CB 4.37Å; H572-D574 PolarHBondContact ND1-N 3.24Å; H572-D574 PolarHBondContact O-N 2.79Å; H572-V589 WeakPolarHBondContact CD2-CG1 3.25Å; H572-V589 WeakPolarHBondContact NE2-CG1 3.43Å; H572-A590 PolarHBondContact CE1-O 3.47Å; H572-A590 VanDerWaalsContact CE1-O 3.27Å; H572-A590 PolarHBondContact NE2-O 3.31Å; H572-D591 PolarHBondContact CE1-O 2.97Å; H572-F592 AromaticContact CD2-CE1 3.9Å; H572-E594 CarbonylContact O-C 3.59Å; H572-S595 WeakPolarHBondContact CA-OG 3.31Å; H572-S595 VanDerWaalsContact O-CA 3.26Å; H572-S595 WeakPolarHBondContact O-CA 3.41Å; H572-S595 PolarHBondContact O-N 3.18Å; H572-S595 PolarHBondContact O-OG 2.98Å; H572-D631 PolarHBondContact N-OD1 3.41Å; H572-D631 PolarHBondContact N-OD2 2.94Å
573	R	89.7	Confident	93	Very high	21 Å²	21	30.5 Å²	30.5	8%	0.079	18%	0.181	C	C	.	.	S	Bend	trans	70.8	-1.6	176.9	-54.5	178	61.5	-132.4	19.5	117.8	I571 E594 R596 T606 P609 Y626 D631	I571-R573 HydrophobicContact CB-CG 4.18Å; I571-R573 HydrophobicContact CG2-CG 3.68Å; R573-E594 HydrophobicContact CB-CB 4.31Å; R573-E594 VanDerWaalsContact CD-O 3.29Å; R573-E594 WeakPolarHBondContact CD-O 3.46Å; R573-E594 PolarHBondContact NH1-O 3.37Å; R573-E594 IonicContact NH1-OE2 3.51Å; R573-E594 PolarHBondContact NH1-OE2 3.2Å; R573-R596 VanDerWaalsContact NH1-NH1 3.11Å; R573-T606 PolarHBondContact NH2-OG1 3.49Å; R573-P609 HydrophobicContact CB-CB 4.45Å; R573-P609 VanDerWaalsContact NH2-CB 3.28Å; R573-Y626 WeakPolarHBondContact CA-OH 3.31Å; R573-Y626 HydrophobicContact CB-CD1 4.35Å; R573-Y626 HydrophobicContact CB-CD2 4.18Å; R573-Y626 HydrophobicContact CB-CE1 4.07Å; R573-Y626 HydrophobicContact CB-CE2 3.91Å; R573-Y626 HydrophobicContact CB-CG 4.39Å; R573-Y626 HydrophobicContact CG-CD1 3.63Å; R573-Y626 HydrophobicContact CG-CD2 3.97Å; R573-Y626 HydrophobicContact CG-CE1 3.78Å; R573-Y626 HydrophobicContact CG-CE2 4.14Å; R573-Y626 HydrophobicContact CG-CG 3.7Å; R573-Y626 PolarHBondContact O-OH 3.48Å; R573-D631 PolarHBondContact N-OD1 3.01Å
574	D	90.7	Very high	92.8	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	21%	0.208	C	C	.	.			trans	-154.2	39.9	-178.3	-167.1	22.7	0	0	0	111.7	H572 N576 N579 E594 G610 N611	H572-D574 PolarHBondContact ND1-N 3.24Å; H572-D574 PolarHBondContact O-N 2.79Å; D574-N576 PolarHBondContact O-N 2.96Å; D574-N576 PolarHBondContact O-ND2 3.15Å; D574-N576 PolarHBondContact OD1-ND2 3.49Å; D574-N579 VanDerWaalsContact CG-ND2 3.32Å; D574-N579 PolarHBondContact O-ND2 3.15Å; D574-N579 PolarHBondContact OD2-ND2 3.47Å; D574-E594 HydrophobicContact CB-CB 4.21Å; D574-G610 WeakPolarHBondContact OD1-CA 3.32Å; D574-N611 PolarHBondContact OD1-N 2.72Å
575	L	94.7	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.232	C	C	.	.			trans	-73.4	120.4	178	-175.3	67.1	0	0	0	109.4	I556 M560 V580 V589 S634	I556-L575 HydrophobicContact CG2-CD1 4.23Å; I556-L575 HydrophobicContact CG2-CD2 4.14Å; M560-L575 HydrophobicContact CE-CD2 4.36Å; M560-L575 HydrophobicContact CG-CD2 3.83Å; M560-L575 HydrophobicContact SD-CD1 4.13Å; M560-L575 HydrophobicContact SD-CD2 3.81Å; M560-L575 HydrophobicContact SD-CG 4.49Å; L575-V580 HydrophobicContact CD1-CG2 4.3Å; L575-V589 HydrophobicContact CD1-CG1 4.07Å; L575-V589 HydrophobicContact CD1-CG2 4.47Å; L575-S634 WeakPolarHBondContact O-CB 3.36Å
576	N	94.9	Very high	92.9	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	22%	0.217	C	C	.	.	S	Bend	trans	-158.8	172.3	178	62.6	63.7	0	0	0	109.3	D574 H578 N579 V580 W614 C638	D574-N576 PolarHBondContact O-N 2.96Å; D574-N576 PolarHBondContact O-ND2 3.15Å; D574-N576 PolarHBondContact OD1-ND2 3.49Å; N576-H578 VanDerWaalsContact C-N 3.26Å; N576-H578 PolarHBondContact O-N 3.11Å; N576-H578 WeakPolarHBondContact OD1-CA 3.46Å; N576-H578 WeakPolarHBondContact OD1-CB 3.47Å; N576-H578 PolarHBondContact OD1-N 3.21Å; N576-N579 PolarHBondContact ND2-ND2 2.91Å; N576-N579 CarbonylContact O-C 3.58Å; N576-N579 PolarHBondContact O-N 3.06Å; N576-N579 PolarHBondContact OD1-N 3.38Å; N576-V580 PolarHBondContact O-N 3.03Å; N576-W614 HydrophobicContact CB-CB 4.05Å; N576-W614 HydrophobicContact CB-CD2 3.5Å; N576-W614 VanDerWaalsContact CB-CD2 3.5Å; N576-W614 HydrophobicContact CB-CE3 3.73Å; N576-W614 HydrophobicContact CB-CG 3.64Å; N576-W614 HydrophobicContact CB-CZ3 4.33Å; N576-C638 WeakPolarHBondContact CA-SG 3.31Å
577	S	95.3	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66.3	-19.2	-178.3	59.3	0	0	0	0	114.8	L533 F534 N579 E641	L533-S577 WeakPolarHBondContact CB-O 3.32Å; L533-S577 PolarHBondContact N-O 2.96Å; F534-S577 PolarHBondContact N-O 3.07Å; S577-N579 VanDerWaalsContact C-N 3.33Å; S577-E641 VanDerWaalsContact CB-OE1 3.22Å; S577-E641 WeakPolarHBondContact CB-OE1 3.21Å; S577-E641 WeakPolarHBondContact CB-OE2 3.45Å; S577-E641 VanDerWaalsContact OG-CD 3.26Å; S577-E641 PolarHBondContact OG-OE1 3.1Å; S577-E641 PolarHBondContact OG-OE2 3.37Å
578	H	93.7	Very high	93.6	Very high	73 Å²	73	30 Å²	30	34%	0.338	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-72.3	-31.2	170.8	-58.6	-90.6	0	0	0	111.8	S532 F534 N576	S532-H578 WeakPolarHBondContact CB-O 3.47Å; F534-H578 HydrophobicContact CB-CB 4.48Å; F534-H578 AromaticContact CD1-CE1 3.38Å; F534-H578 WeakPolarHBondContact CD1-CE1 3.38Å; F534-H578 AromaticContact CD1-ND1 3.62Å; F534-H578 AromaticContact CD2-CD2 3.77Å; F534-H578 AromaticContact CD2-CE1 3.2Å; F534-H578 WeakPolarHBondContact CD2-CE1 3.32Å; F534-H578 AromaticContact CD2-ND1 3.73Å; F534-H578 AromaticContact CD2-NE2 3.24Å; F534-H578 WeakPolarHBondContact CD2-NE2 3.29Å; F534-H578 AromaticContact CE1-CE1 3.52Å; F534-H578 AromaticContact CE2-CE1 3.32Å; F534-H578 WeakPolarHBondContact CE2-CE1 3.33Å; F534-H578 AromaticContact CE2-NE2 3.31Å; F534-H578 VanDerWaalsContact CE2-NE2 3.31Å; F534-H578 WeakPolarHBondContact CE2-NE2 3.26Å; F534-H578 AromaticContact CG-CE1 3.23Å; F534-H578 WeakPolarHBondContact CG-CE1 3.48Å; F534-H578 AromaticContact CG-CG 3.95Å; F534-H578 AromaticContact CG-ND1 3.37Å; F534-H578 WeakPolarHBondContact CG-ND1 3.46Å; F534-H578 AromaticContact CG-NE2 3.75Å; F534-H578 AromaticContact CZ-CE1 3.49Å; F534-H578 VanDerWaalsContact CZ-CE1 3.49Å; F534-H578 WeakPolarHBondContact CZ-CE1 3.44Å; F534-H578 AromaticContact CZ-NE2 3.89Å; N576-H578 VanDerWaalsContact C-N 3.26Å; N576-H578 PolarHBondContact O-N 3.11Å; N576-H578 WeakPolarHBondContact OD1-CA 3.46Å; N576-H578 WeakPolarHBondContact OD1-CB 3.47Å; N576-H578 PolarHBondContact OD1-N 3.21Å
579	N	95	Very high	94.1	Very high	15 Å²	15	26.5 Å²	26.5	8%	0.08	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-96.1	13.6	-176.8	-69	-14.9	0	0	0	112.9	D574 N576 S577 A590 D591	D574-N579 VanDerWaalsContact CG-ND2 3.32Å; D574-N579 PolarHBondContact O-ND2 3.15Å; D574-N579 PolarHBondContact OD2-ND2 3.47Å; N576-N579 PolarHBondContact ND2-ND2 2.91Å; N576-N579 CarbonylContact O-C 3.58Å; N576-N579 PolarHBondContact O-N 3.06Å; N576-N579 PolarHBondContact OD1-N 3.38Å; S577-N579 VanDerWaalsContact C-N 3.33Å; N579-A590 WeakPolarHBondContact CB-O 3.5Å; N579-A590 WeakPolarHBondContact O-CA 3.49Å; N579-A590 PolarHBondContact O-N 2.94Å; N579-D591 HydrophobicContact CB-CB 4.38Å; N579-D591 WeakPolarHBondContact OD1-CB 3.18Å
580	V	97.3	Very high	94.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.7	166.9	177.4	0	0	0	0	107.8	S532 L533 I556 L575 N576 A587 I588	S532-V580 CarbonylContact C-O 3.44Å; S532-V580 WeakPolarHBondContact CA-O 3.41Å; L533-V580 HydrophobicContact CB-CB 4.03Å; L533-V580 HydrophobicContact CB-CG1 4.14Å; L533-V580 HydrophobicContact CD2-CB 4.21Å; L533-V580 HydrophobicContact CD2-CG1 4.15Å; L533-V580 PolarHBondContact N-O 3.37Å; I556-V580 HydrophobicContact CD1-CG1 4.03Å; I556-V580 HydrophobicContact CD1-CG2 3.86Å; I556-V580 HydrophobicContact CG1-CG1 3.96Å; I556-V580 HydrophobicContact CG1-CG2 3.97Å; L575-V580 HydrophobicContact CD1-CG2 4.3Å; N576-V580 PolarHBondContact O-N 3.03Å; V580-A587 HydrophobicContact CG1-CB 4.03Å; V580-I588 CarbonylContact C-O 3.56Å; V580-I588 WeakPolarHBondContact CA-O 3.39Å
581	L	97.3	Very high	94.3	Very high	39 Å²	39	27.1 Å²	27.1	20%	0.204	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	156.9	176.7	-57.9	179.2	0	0	0	110.8	L508 A528 G531 I588 A590	L508-L581 HydrophobicContact CD1-CD1 4.2Å; L508-L581 HydrophobicContact CD2-CD1 4.37Å; A528-L581 HydrophobicContact CB-CB 3.68Å; A528-L581 HydrophobicContact CB-CD1 3.99Å; A528-L581 HydrophobicContact CB-CG 4.42Å; G531-L581 CarbonylContact O-C 3.47Å; G531-L581 WeakPolarHBondContact O-CA 3.25Å; L581-I588 PolarHBondContact N-O 3.19Å; L581-I588 PolarHBondContact O-N 3.07Å; L581-A590 HydrophobicContact CD1-CB 3.65Å; L581-A590 HydrophobicContact CG-CB 3.67Å
582	L	96.8	Very high	94.4	Very high	9 Å²	9	26.8 Å²	26.8	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.9	179.8	-57.5	175	0	0	0	110.1	G530 G531 L536 I552 A587	G530-L582 WeakPolarHBondContact CA-O 3.24Å; G530-L582 PolarHBondContact N-O 3.47Å; G531-L582 PolarHBondContact O-N 3.43Å; L536-L582 HydrophobicContact CB-CD1 4.18Å; L536-L582 HydrophobicContact CD2-CD1 3.36Å; L536-L582 HydrophobicContact CG-CD1 4.37Å; I552-L582 HydrophobicContact CD1-CD2 4.44Å; I552-L582 HydrophobicContact CG1-CD2 4.46Å; L582-A587 HydrophobicContact CD2-CB 4.03Å
583	E	94.9	Very high	94.1	Very high	80 Å²	80	26.8 Å²	26.8	37%	0.374	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	106	172.7	179.9	61.3	-162	0	0	108.7	A528 S529 D585 T586 I588	A528-E583 WeakPolarHBondContact CA-OE2 3.47Å; A528-E583 HydrophobicContact CB-CB 4.47Å; S529-E583 WeakPolarHBondContact CB-OE2 3.38Å; S529-E583 PolarHBondContact N-OE2 3.18Å; S529-E583 PolarHBondContact OG-OE1 3.27Å; S529-E583 PolarHBondContact OG-OE2 3.27Å; E583-D585 PolarHBondContact O-N 2.92Å; E583-T586 PolarHBondContact N-O 3.45Å; E583-T586 PolarHBondContact O-N 2.97Å; E583-I588 HydrophobicContact CB-CD1 3.73Å
584	G	91.5	Very high	93.8	Very high	55 Å²	55	27.1 Å²	27.1	57%	0.567	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	-122.1	-168.6	0	0	0	0	0	111.2	R548	R548-G584 PolarHBondContact NH2-O 3.16Å
585	D	90.5	Very high	93.8	Very high	127 Å²	127	25.9 Å²	25.9	68%	0.679	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	10.6	178.3	-69.9	-36.3	0	0	0	114.3	R548 E583	R548-D585 IonicContact CZ-OD1 3.01Å; R548-D585 VanDerWaalsContact NH1-CA 3.29Å; R548-D585 PolarHBondContact NH1-O 3.26Å; R548-D585 IonicContact NH1-OD1 3.55Å; E583-D585 PolarHBondContact O-N 2.92Å
586	T	96.1	Very high	93.3	Very high	53 Å²	53	28.1 Å²	28.1	33%	0.325	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	-179.6	-54.6	0	0	0	0	111.3	N506 D555 E583 I588	N506-T586 WeakPolarHBondContact ND2-CG2 3.22Å; D555-T586 WeakPolarHBondContact OD2-CA 3.39Å; E583-T586 PolarHBondContact N-O 3.45Å; E583-T586 PolarHBondContact O-N 2.97Å; T586-I588 HydrophobicContact CG2-CG1 4.2Å
587	A	97.9	Very high	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.3	165.5	0	0	0	0	0	111	N506 I552 D555 I556 V580 L582	N506-A587 PolarHBondContact ND2-O 3.24Å; N506-A587 VanDerWaalsContact ND2-O 3.08Å; I552-A587 HydrophobicContact CB-CB 4.31Å; I552-A587 HydrophobicContact CG1-CB 4.38Å; I552-A587 HydrophobicContact CG2-CB 3.89Å; D555-A587 HydrophobicContact CB-CB 3.74Å; D555-A587 PolarHBondContact OD2-N 2.65Å; I556-A587 HydrophobicContact CG1-CB 4.49Å; V580-A587 HydrophobicContact CG1-CB 4.03Å; L582-A587 HydrophobicContact CD2-CB 4.03Å
588	I	98.1	Very high	92.2	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.108	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.1	-170	-57.9	176.5	0	0	0	109.1	V507 L508 V580 L581 E583 T586	V507-I588 VanDerWaalsContact C-CG2 3.47Å; L508-I588 HydrophobicContact CB-CG2 4Å; L508-I588 HydrophobicContact CD1-CG2 4.41Å; V580-I588 CarbonylContact C-O 3.56Å; V580-I588 WeakPolarHBondContact CA-O 3.39Å; L581-I588 PolarHBondContact N-O 3.19Å; L581-I588 PolarHBondContact O-N 3.07Å; E583-I588 HydrophobicContact CB-CD1 3.73Å; T586-I588 HydrophobicContact CG2-CG1 4.2Å
589	V	97.9	Very high	91	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.4	172.7	-179.9	0	0	0	0	109.6	N506 L508 I556 M560 L563 H572 L575 F592	N506-V589 PolarHBondContact O-N 3.43Å; L508-V589 PolarHBondContact N-O 2.87Å; I556-V589 HydrophobicContact CG2-CG2 4.17Å; M560-V589 HydrophobicContact SD-CG1 4.07Å; M560-V589 HydrophobicContact SD-CG2 4.36Å; L563-V589 HydrophobicContact CD1-CG1 4.4Å; H572-V589 WeakPolarHBondContact CD2-CG1 3.25Å; H572-V589 WeakPolarHBondContact NE2-CG1 3.43Å; L575-V589 HydrophobicContact CD1-CG1 4.07Å; L575-V589 HydrophobicContact CD1-CG2 4.47Å; V589-F592 HydrophobicContact CG1-CZ 4.16Å
590	A	95.4	Very high	89.3	Confident	4 Å²	4	36 Å²	36	3%	0.033	22%	0.222	C	C	.	.			trans	-136.8	172.8	-170.9	0	0	0	0	0	112.5	L508 H572 N579 L581	L508-A590 HydrophobicContact CB-CB 4.08Å; L508-A590 HydrophobicContact CD2-CB 3.92Å; H572-A590 PolarHBondContact CE1-O 3.47Å; H572-A590 VanDerWaalsContact CE1-O 3.27Å; H572-A590 PolarHBondContact NE2-O 3.31Å; N579-A590 WeakPolarHBondContact CB-O 3.5Å; N579-A590 WeakPolarHBondContact O-CA 3.49Å; N579-A590 PolarHBondContact O-N 2.94Å; L581-A590 HydrophobicContact CD1-CB 3.65Å; L581-A590 HydrophobicContact CG-CB 3.67Å
591	D	90.9	Very high	86.8	Confident	37 Å²	37	41.3 Å²	41.3	20%	0.198	27%	0.265	C	S	.	.			trans	57.6	89.4	-176.8	-157.8	-16.4	0	0	0	115.1	K476 H572 N579 G593	K476-D591 IonicContact NZ-OD1 3.9Å; K476-D591 PolarHBondContact NZ-OD1 3.02Å; K476-D591 IonicContact NZ-OD2 3.72Å; H572-D591 PolarHBondContact CE1-O 2.97Å; N579-D591 HydrophobicContact CB-CB 4.38Å; N579-D591 WeakPolarHBondContact OD1-CB 3.18Å; D591-G593 PolarHBondContact OD1-N 2.98Å; D591-G593 VanDerWaalsContact OD1-N 3.16Å
592	F	91.8	Very high	84.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	29%	0.286	C	S	.	.			trans	-97.6	17	-178.7	-67.7	-95.6	0	0	0	112.8	E495 I498 L499 L502 V507 L563 V570 H572 V589 E594 S595	E495-F592 HydrophobicContact CG-CB 3.98Å; E495-F592 PolarHBondContact OE1-N 3.39Å; I498-F592 HydrophobicContact CG2-CB 4.3Å; I498-F592 HydrophobicContact CG2-CD1 3.96Å; I498-F592 HydrophobicContact CG2-CG 4.34Å; L499-F592 HydrophobicContact CD1-CD2 4.33Å; L499-F592 HydrophobicContact CD2-CD2 3.42Å; L499-F592 VanDerWaalsContact CD2-CD2 3.42Å; L499-F592 HydrophobicContact CD2-CE2 3.75Å; L499-F592 HydrophobicContact CD2-CG 4.15Å; L499-F592 HydrophobicContact CG-CB 4.22Å; L499-F592 HydrophobicContact CG-CD2 3.89Å; L499-F592 HydrophobicContact CG-CG 4.21Å; L502-F592 HydrophobicContact CD1-CD1 4.13Å; L502-F592 HydrophobicContact CD1-CE1 3.77Å; L502-F592 HydrophobicContact CD1-CE2 4.43Å; L502-F592 HydrophobicContact CD1-CZ 3.95Å; V507-F592 HydrophobicContact CG1-CE2 4.04Å; V507-F592 HydrophobicContact CG1-CZ 3.65Å; L563-F592 HydrophobicContact CD1-CE1 3.66Å; L563-F592 HydrophobicContact CD1-CZ 4.1Å; L563-F592 HydrophobicContact CD2-CE1 3.73Å; L563-F592 HydrophobicContact CD2-CZ 4.23Å; L563-F592 HydrophobicContact CG-CE1 4.36Å; V570-F592 HydrophobicContact CG1-CD1 4.46Å; H572-F592 AromaticContact CD2-CE1 3.9Å; V589-F592 HydrophobicContact CG1-CZ 4.16Å; F592-E594 VanDerWaalsContact C-N 3.26Å; F592-E594 PolarHBondContact O-N 3.29Å; F592-S595 VanDerWaalsContact CA-OG 3.28Å; F592-S595 WeakPolarHBondContact CA-OG 3.24Å; F592-S595 WeakPolarHBondContact CD1-OG 3.33Å; F592-S595 WeakPolarHBondContact O-CB 3.38Å; F592-S595 PolarHBondContact O-N 3.07Å; F592-S595 PolarHBondContact O-OG 2.85Å
593	G	85.7	Confident	81.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.1	-174.7	0	0	0	0	0	113.4	R494 E495 D591	R494-G593 PolarHBondContact NH2-O 3.16Å; E495-G593 VanDerWaalsContact CD-CA 3.44Å; E495-G593 WeakPolarHBondContact OE2-CA 3.46Å; E495-G593 PolarHBondContact OE2-N 3.39Å; D591-G593 PolarHBondContact OD1-N 2.98Å; D591-G593 VanDerWaalsContact OD1-N 3.16Å
594	E	84.3	Confident	79	Confident	27 Å²	27	53 Å²	53	13%	0.126	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.8	174.9	-74.6	-56.4	154.3	0	0	114.6	F460 H572 R573 D574 F592 R596	F460-E594 HydrophobicContact CE2-CG 4.38Å; F460-E594 HydrophobicContact CZ-CG 3.88Å; F460-E594 WeakPolarHBondContact CZ-OE1 3.46Å; H572-E594 CarbonylContact O-C 3.59Å; R573-E594 HydrophobicContact CB-CB 4.31Å; R573-E594 VanDerWaalsContact CD-O 3.29Å; R573-E594 WeakPolarHBondContact CD-O 3.46Å; R573-E594 PolarHBondContact NH1-O 3.37Å; R573-E594 IonicContact NH1-OE2 3.51Å; R573-E594 PolarHBondContact NH1-OE2 3.2Å; D574-E594 HydrophobicContact CB-CB 4.21Å; F592-E594 VanDerWaalsContact C-N 3.26Å; F592-E594 PolarHBondContact O-N 3.29Å; E594-R596 PolarHBondContact O-NH1 3.24Å; E594-R596 IonicContact OE2-NH1 2.73Å; E594-R596 IonicContact OE2-NH2 3.72Å
595	S	89.5	Confident	76.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.35	C	S	.	.			trans	-70.1	155.5	-175.9	-52	0	0	0	0	113.1	R494 I571 H572 F592	R494-S595 WeakPolarHBondContact CD-O 3.27Å; R494-S595 PolarHBondContact NE-O 2.92Å; I571-S595 CarbonylContact O-C 3.57Å; I571-S595 WeakPolarHBondContact O-CA 3.5Å; I571-S595 VanDerWaalsContact O-CB 3.27Å; I571-S595 WeakPolarHBondContact O-CB 3.46Å; H572-S595 WeakPolarHBondContact CA-OG 3.31Å; H572-S595 VanDerWaalsContact O-CA 3.26Å; H572-S595 WeakPolarHBondContact O-CA 3.41Å; H572-S595 PolarHBondContact O-N 3.18Å; H572-S595 PolarHBondContact O-OG 2.98Å; F592-S595 VanDerWaalsContact CA-OG 3.28Å; F592-S595 WeakPolarHBondContact CA-OG 3.24Å; F592-S595 WeakPolarHBondContact CD1-OG 3.33Å; F592-S595 WeakPolarHBondContact O-CB 3.38Å; F592-S595 PolarHBondContact O-N 3.07Å; F592-S595 PolarHBondContact O-OG 2.85Å
596	R	85.6	Confident	74.2	Confident	47 Å²	47	55 Å²	55	18%	0.177	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.9	178.7	-64.1	-67.5	178	-64.3	-7.8	110.4	R494 V570 I571 R573 E594	R494-R596 VanDerWaalsContact CZ-NH2 3.28Å; R494-R596 VanDerWaalsContact NH2-NH2 3.18Å; V570-R596 WeakPolarHBondContact CA-O 3.41Å; I571-R596 PolarHBondContact N-O 3.14Å; I571-R596 PolarHBondContact O-N 3.46Å; R573-R596 VanDerWaalsContact NH1-NH1 3.11Å; E594-R596 PolarHBondContact O-NH1 3.24Å; E594-R596 IonicContact OE2-NH1 2.73Å; E594-R596 IonicContact OE2-NH2 3.72Å
597	F	86.8	Confident	71.9	Confident	34 Å²	34	62.2 Å²	62.2	15%	0.149	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.5	162.6	-66.1	-68.6	0	0	0	109.5	I498 V568 P569 V570 G599 S600	I498-F597 HydrophobicContact CB-CZ 4.31Å; I498-F597 HydrophobicContact CG1-CD2 4.25Å; I498-F597 HydrophobicContact CG1-CE1 4.17Å; I498-F597 HydrophobicContact CG1-CE2 3.61Å; I498-F597 HydrophobicContact CG1-CZ 3.55Å; V568-F597 HydrophobicContact CB-CD1 4.34Å; V568-F597 HydrophobicContact CG1-CB 3.73Å; V568-F597 HydrophobicContact CG1-CD1 3.87Å; V568-F597 HydrophobicContact CG1-CG 4.12Å; P569-F597 CarbonylContact O-C 3.36Å; P569-F597 WeakPolarHBondContact O-CA 3.29Å; V570-F597 HydrophobicContact CG2-CD1 3.77Å; V570-F597 HydrophobicContact CG2-CE1 3.71Å; F597-G599 PolarHBondContact O-N 3.04Å; F597-S600 PolarHBondContact O-N 2.75Å
598	L	79.8	Confident	70	Confident	78 Å²	78	68.6 Å²	68.6	41%	0.408	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	129.2	172.3	-172.3	72.6	0	0	0	109	P569 I571	P569-L598 HydrophobicContact CB-CB 3.96Å; P569-L598 HydrophobicContact CB-CD2 4.09Å; P569-L598 HydrophobicContact CG-CB 4.43Å; P569-L598 HydrophobicContact CG-CD2 4.04Å; P569-L598 WeakPolarHBondContact O-CB 3.45Å; P569-L598 PolarHBondContact O-N 2.96Å; I571-L598 HydrophobicContact CD1-CB 4.16Å; I571-L598 HydrophobicContact CD1-CD1 3.41Å; I571-L598 VanDerWaalsContact CD1-CD1 3.41Å; I571-L598 HydrophobicContact CD1-CG 4.38Å; I571-L598 HydrophobicContact CG1-CB 4.32Å; I571-L598 HydrophobicContact CG1-CD1 4.24Å
599	G	67.2	Low	68.1	Low	72 Å²	72	68 Å²	68	74%	0.742	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	0	-178.9	0	0	0	0	0	116.1	F597 A601	F597-G599 PolarHBondContact O-N 3.04Å; G599-A601 PolarHBondContact O-N 3.05Å; G599-A601 VanDerWaalsContact O-N 3.08Å
600	S	61	Low	66.6	Low	73 Å²	73	69 Å²	69	51%	0.51	40%	0.399	S	S	.	.			trans	-63.3	110.2	170.9	-87.8	0	0	0	0	111.2	F597 G602	F597-S600 PolarHBondContact O-N 2.75Å; S600-G602 PolarHBondContact O-N 3.35Å
601	A	44.2	Very low	65.9	Low	110 Å²	110	71.2 Å²	71.2	91%	0.909	41%	0.41	S	S	*	.	S	Bend	trans	-66.2	96.6	178.8	0	0	0	0	0	111.2	G599	G599-A601 PolarHBondContact O-N 3.05Å; G599-A601 VanDerWaalsContact O-N 3.08Å
602	G	43.5	Very low	65.7	Low	62 Å²	62	71 Å²	71	64%	0.639	41%	0.409	S	S	*	.			trans	169.9	48.2	-179.9	0	0	0	0	0	112.4	S600 D604	S600-G602 PolarHBondContact O-N 3.35Å; G602-D604 PolarHBondContact O-N 3.13Å
603	F	41.4	Very low	65.7	Low	160 Å²	160	71.9 Å²	71.9	70%	0.702	41%	0.412	S	S	*	.			trans	-65.6	57.3	173.1	-72.8	-77.7	0	0	0	111.7	M605	F603-M605 PolarHBondContact O-N 3.18Å
604	D	39.3	Very low	66	Low	151 Å²	151	72.1 Å²	72.1	81%	0.807	41%	0.413	S	S	*	.			trans	-73.3	114.1	154.2	-90.2	-13	0	0	0	105.8	G602 T606	G602-D604 PolarHBondContact O-N 3.13Å; D604-T606 VanDerWaalsContact C-N 3.31Å; D604-T606 PolarHBondContact O-N 3.28Å
605	M	36.1	Very low	66.2	Low	168 Å²	168	71 Å²	71	83%	0.828	41%	0.408	S	S	*	.			trans	-54	93	177.4	-62.7	-155.1	-52.2	0	0	109.9	F603 K607	F603-M605 PolarHBondContact O-N 3.18Å; M605-K607 PolarHBondContact O-N 3.47Å; M605-K607 VanDerWaalsContact O-N 3.13Å
606	T	45.8	Very low	66.1	Low	57 Å²	57	71 Å²	71	35%	0.35	41%	0.408	S	S	.	.			trans	-63	116.4	165.7	49.8	0	0	0	0	106.8	R573 D604 Q608	R573-T606 PolarHBondContact NH2-OG1 3.49Å; D604-T606 VanDerWaalsContact C-N 3.31Å; D604-T606 PolarHBondContact O-N 3.28Å; T606-Q608 PolarHBondContact O-N 3.21Å
607	K	48.9	Very low	66.1	Low	204 Å²	204	69.2 Å²	69.2	89%	0.887	40%	0.402	S	S	*	.	S	Bend	trans	-49.9	112.7	176.7	-79.2	-176.7	172.4	-174.4	0	109.4	M605	M605-K607 PolarHBondContact O-N 3.47Å; M605-K607 VanDerWaalsContact O-N 3.13Å
608	Q	56.1	Low	65.6	Low	134 Å²	134	69.4 Å²	69.4	63%	0.626	40%	0.403	S	S	*	.	S	Bend	trans	44.5	83	169.8	-69.6	-178.5	-21.4	0	0	115.6	T606	T606-Q608 PolarHBondContact O-N 3.21Å
609	P	59.3	Low	65.5	Low	10 Å²	10	67.2 Å²	67.2	7%	0.065	39%	0.393	C	S	.	.			trans	-74.7	128.9	177.1	33.5	-36.8	0	0	0	111.6	R573 M615 Y626	R573-P609 HydrophobicContact CB-CB 4.45Å; R573-P609 VanDerWaalsContact NH2-CB 3.28Å; P609-M615 WeakPolarHBondContact O-CE 3.29Å; P609-Y626 HydrophobicContact CG-CD2 3.95Å; P609-Y626 HydrophobicContact CG-CE2 4.17Å
610	G	66.5	Low	65.6	Low	21 Å²	21	66.1 Å²	66.1	22%	0.216	37%	0.368	C	S	.	.	S	Bend	trans	82.3	178.9	171	0	0	0	0	0	116.1	D574 L612	D574-G610 WeakPolarHBondContact OD1-CA 3.32Å; G610-L612 PolarHBondContact O-N 3.11Å
611	N	81.3	Confident	65.6	Low	50 Å²	50	66.5 Å²	66.5	27%	0.267	36%	0.364	S	S	.	.			trans	-77.5	114.5	-174.4	-164.2	-31.3	0	0	0	111	D574 R613 W614 M615	D574-N611 PolarHBondContact OD1-N 2.72Å; N611-R613 PolarHBondContact O-N 2.88Å; N611-R613 PolarHBondContact OD1-N 2.84Å; N611-W614 HydrophobicContact CB-CE3 4.03Å; N611-W614 HydrophobicContact CB-CZ3 4.41Å; N611-W614 WeakPolarHBondContact ND2-CZ3 3.32Å; N611-W614 PolarHBondContact O-N 3.02Å; N611-M615 PolarHBondContact O-N 3.24Å
612	L	86.6	Confident	65.9	Low	33 Å²	33	67.8 Å²	67.8	17%	0.173	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-48.9	-35.5	-174.7	-63.4	171.9	0	0	0	113.7	G610 W614 M615 F620 P654 A655 A658	G610-L612 PolarHBondContact O-N 3.11Å; L612-W614 VanDerWaalsContact C-N 3.34Å; L612-W614 PolarHBondContact O-N 3.19Å; L612-M615 HydrophobicContact CD2-CE 3.86Å; L612-M615 HydrophobicContact CD2-SD 4.44Å; L612-M615 WeakPolarHBondContact O-CB 3.4Å; L612-M615 PolarHBondContact O-N 3.27Å; L612-F620 HydrophobicContact CD2-CE1 3.72Å; L612-F620 HydrophobicContact CD2-CZ 3.89Å; L612-P654 HydrophobicContact CB-CB 4.16Å; L612-A655 HydrophobicContact CD1-CB 3.81Å; L612-A658 HydrophobicContact CB-CB 4.13Å; L612-A658 VanDerWaalsContact O-CB 3.31Å; L612-A658 WeakPolarHBondContact O-CB 3.33Å
613	R	91.4	Very high	66.1	Low	18 Å²	18	70.7 Å²	70.7	7%	0.068	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-67.4	-30.4	-176.8	-177.5	-176.5	-57.7	-75.3	4.6	113.8	N611 P648 F649 L652 P654 A657 M661	N611-R613 PolarHBondContact O-N 2.88Å; N611-R613 PolarHBondContact OD1-N 2.84Å; R613-P648 WeakPolarHBondContact CD-O 3.48Å; R613-P648 HydrophobicContact CG-CB 4.28Å; R613-P648 WeakPolarHBondContact CG-O 3.5Å; R613-P648 PolarHBondContact NH1-O 3.25Å; R613-F649 PolarHBondContact NH1-O 2.97Å; R613-L652 PolarHBondContact NH1-O 3.27Å; R613-L652 VanDerWaalsContact NH1-O 3.1Å; R613-L652 PolarHBondContact NH2-O 3.21Å; R613-P654 HydrophobicContact CB-CB 4.09Å; R613-A657 HydrophobicContact CG-CB 4.29Å; R613-M661 VanDerWaalsContact O-CE 3.22Å; R613-M661 WeakPolarHBondContact O-CE 3.43Å
614	W	92.1	Very high	66.5	Low	5 Å²	5	66 Å²	66	2%	0.019	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-100.4	3.1	178.2	-67.3	-102.3	0	0	0	112.8	N576 N611 L612 S634 L637 E641 L647	N576-W614 HydrophobicContact CB-CB 4.05Å; N576-W614 HydrophobicContact CB-CD2 3.5Å; N576-W614 VanDerWaalsContact CB-CD2 3.5Å; N576-W614 HydrophobicContact CB-CE3 3.73Å; N576-W614 HydrophobicContact CB-CG 3.64Å; N576-W614 HydrophobicContact CB-CZ3 4.33Å; N611-W614 HydrophobicContact CB-CE3 4.03Å; N611-W614 HydrophobicContact CB-CZ3 4.41Å; N611-W614 WeakPolarHBondContact ND2-CZ3 3.32Å; N611-W614 PolarHBondContact O-N 3.02Å; L612-W614 VanDerWaalsContact C-N 3.34Å; L612-W614 PolarHBondContact O-N 3.19Å; W614-S634 WeakPolarHBondContact O-CA 3.18Å; W614-S634 WeakPolarHBondContact O-CB 3.2Å; W614-S634 PolarHBondContact O-OG 3.39Å; W614-L637 HydrophobicContact CB-CD1 4.35Å; W614-L637 HydrophobicContact CG-CB 4.43Å; W614-E641 VanDerWaalsContact CE2-OE2 3.3Å; W614-E641 VanDerWaalsContact CZ2-OE2 3.24Å; W614-E641 WeakPolarHBondContact CZ2-OE2 3.42Å; W614-E641 PolarHBondContact NE1-OE2 3.09Å; W614-L647 HydrophobicContact CH2-CD2 3.76Å; W614-L647 HydrophobicContact CZ2-CD2 3.67Å
615	M	87.5	Confident	67.4	Low	4 Å²	4	61.8 Å²	61.8	2%	0.02	33%	0.329	C	S	.	.			trans	-77.8	136.4	-174.5	-169	174.8	-52.4	0	0	111.7	P609 N611 L612 V619 F620	P609-M615 WeakPolarHBondContact O-CE 3.29Å; N611-M615 PolarHBondContact O-N 3.24Å; L612-M615 HydrophobicContact CD2-CE 3.86Å; L612-M615 HydrophobicContact CD2-SD 4.44Å; L612-M615 WeakPolarHBondContact O-CB 3.4Å; L612-M615 PolarHBondContact O-N 3.27Å; M615-V619 HydrophobicContact CG-CB 3.89Å; M615-V619 HydrophobicContact CG-CG1 4.04Å; M615-V619 HydrophobicContact CG-CG2 4.21Å; M615-V619 HydrophobicContact SD-CB 3.99Å; M615-V619 HydrophobicContact SD-CG1 3.61Å; M615-F620 HydrophobicContact CB-CE2 3.77Å; M615-F620 HydrophobicContact CB-CZ 3.8Å; M615-F620 HydrophobicContact CE-CZ 4.27Å; M615-F620 HydrophobicContact CG-CE2 3.64Å; M615-F620 HydrophobicContact CG-CZ 3.74Å; M615-F620 HydrophobicContact SD-CD2 4.46Å; M615-F620 HydrophobicContact SD-CE1 3.73Å; M615-F620 HydrophobicContact SD-CE2 3.69Å; M615-F620 HydrophobicContact SD-CZ 3.24Å; M615-F620 WeakPolarHBondContact SD-CZ 3.37Å
616	A	87.8	Confident	69.2	Low	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.			trans	-66.9	142.3	177.7	0	0	0	0	0	112.2	E618 V619 F620 A630 F633	A616-E618 VanDerWaalsContact C-N 3.3Å; A616-E618 HydrophobicContact CB-CG 4.49Å; A616-E618 WeakPolarHBondContact CB-OE2 3.4Å; A616-E618 PolarHBondContact O-N 2.92Å; A616-V619 HydrophobicContact CB-CG2 4.19Å; A616-V619 WeakPolarHBondContact O-CB 3.37Å; A616-V619 PolarHBondContact O-N 3.01Å; A616-V619 VanDerWaalsContact O-N 3.13Å; A616-F620 WeakPolarHBondContact O-CD2 3.21Å; A616-A630 HydrophobicContact CB-CB 3.75Å; A616-F633 VanDerWaalsContact CA-CD1 3.49Å; A616-F633 HydrophobicContact CB-CB 3.7Å; A616-F633 HydrophobicContact CB-CD1 3.77Å; A616-F633 HydrophobicContact CB-CD2 4.48Å; A616-F633 HydrophobicContact CB-CG 3.74Å
617	P	85.1	Confident	70.8	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.058	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.9	-174.2	23.5	-34.4	0	0	0	113.6	V619 F620 L621 F633 A662	P617-V619 PolarHBondContact O-N 2.9Å; P617-F620 WeakPolarHBondContact O-CB 3.13Å; P617-F620 PolarHBondContact O-N 3.03Å; P617-L621 WeakPolarHBondContact O-CG 3.46Å; P617-L621 PolarHBondContact O-N 3.37Å; P617-F633 VanDerWaalsContact CD-CZ 3.47Å; P617-F633 HydrophobicContact CG-CE2 4.12Å; P617-F633 HydrophobicContact CG-CZ 4.25Å; P617-A662 HydrophobicContact CB-CB 4.06Å
618	E	77.4	Confident	72.6	Confident	38 Å²	38	45.4 Å²	45.4	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-20.7	179.3	65.9	-88.7	-153.1	0	0	113.7	A616 F620 T624 P690	A616-E618 VanDerWaalsContact C-N 3.3Å; A616-E618 HydrophobicContact CB-CG 4.49Å; A616-E618 WeakPolarHBondContact CB-OE2 3.4Å; A616-E618 PolarHBondContact O-N 2.92Å; E618-F620 PolarHBondContact O-N 2.68Å; E618-T624 PolarHBondContact O-OG1 3.39Å; E618-T624 VanDerWaalsContact O-OG1 3.08Å; E618-P690 HydrophobicContact CB-CG 4.49Å; E618-P690 HydrophobicContact CG-CG 4.1Å; E618-P690 WeakPolarHBondContact OE1-CG 3.4Å
619	V	77.1	Confident	74.1	Confident	32 Å²	32	41.5 Å²	41.5	19%	0.194	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-21.2	175.4	-175.4	0	0	0	0	111.1	M615 A616 P617 Y626 A630	M615-V619 HydrophobicContact CG-CB 3.89Å; M615-V619 HydrophobicContact CG-CG1 4.04Å; M615-V619 HydrophobicContact CG-CG2 4.21Å; M615-V619 HydrophobicContact SD-CB 3.99Å; M615-V619 HydrophobicContact SD-CG1 3.61Å; A616-V619 HydrophobicContact CB-CG2 4.19Å; A616-V619 WeakPolarHBondContact O-CB 3.37Å; A616-V619 PolarHBondContact O-N 3.01Å; A616-V619 VanDerWaalsContact O-N 3.13Å; P617-V619 PolarHBondContact O-N 2.9Å; V619-Y626 HydrophobicContact CB-CD2 4.5Å; V619-Y626 HydrophobicContact CG1-CD2 3.78Å; V619-Y626 HydrophobicContact CG1-CE2 4.01Å; V619-Y626 HydrophobicContact CG2-CD2 3.78Å; V619-Y626 HydrophobicContact CG2-CE2 3.78Å; V619-Y626 HydrophobicContact CG2-CG 4.33Å; V619-A630 HydrophobicContact CG2-CB 3.86Å
620	F	69.8	Low	75.5	Confident	49 Å²	49	41 Å²	41	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-93.5	-35.5	178.6	-61.2	-80.1	0	0	0	114	L612 M615 A616 P617 E618 A658 A662	L612-F620 HydrophobicContact CD2-CE1 3.72Å; L612-F620 HydrophobicContact CD2-CZ 3.89Å; M615-F620 HydrophobicContact CB-CE2 3.77Å; M615-F620 HydrophobicContact CB-CZ 3.8Å; M615-F620 HydrophobicContact CE-CZ 4.27Å; M615-F620 HydrophobicContact CG-CE2 3.64Å; M615-F620 HydrophobicContact CG-CZ 3.74Å; M615-F620 HydrophobicContact SD-CD2 4.46Å; M615-F620 HydrophobicContact SD-CE1 3.73Å; M615-F620 HydrophobicContact SD-CE2 3.69Å; M615-F620 HydrophobicContact SD-CZ 3.24Å; M615-F620 WeakPolarHBondContact SD-CZ 3.37Å; A616-F620 WeakPolarHBondContact O-CD2 3.21Å; P617-F620 WeakPolarHBondContact O-CB 3.13Å; P617-F620 PolarHBondContact O-N 3.03Å; E618-F620 PolarHBondContact O-N 2.68Å; F620-A658 HydrophobicContact CE1-CB 4.15Å; F620-A658 HydrophobicContact CE2-CB 3.86Å; F620-A658 HydrophobicContact CZ-CB 3.48Å; F620-A658 VanDerWaalsContact CZ-CB 3.48Å; F620-A662 HydrophobicContact CB-CB 4.11Å; F620-A662 HydrophobicContact CD2-CB 3.98Å; F620-A662 HydrophobicContact CG-CB 4.27Å
621	L	61.2	Low	76.7	Confident	82 Å²	82	40.1 Å²	40.1	43%	0.429	22%	0.222	S	C	.	.	H	α-helix	trans	-86	-23.3	-160	-70.1	168.2	0	0	0	114.1	P617 A662 Y663	P617-L621 WeakPolarHBondContact O-CG 3.46Å; P617-L621 PolarHBondContact O-N 3.37Å; L621-A662 WeakPolarHBondContact CD1-O 3.26Å; L621-A662 HydrophobicContact CG-CB 4.39Å; L621-Y663 HydrophobicContact CD2-CD1 4Å; L621-Y663 HydrophobicContact CD2-CE1 3.74Å; L621-Y663 HydrophobicContact CD2-CE2 4.44Å; L621-Y663 HydrophobicContact CD2-CG 4.49Å
622	Q	49.9	Very low	77.2	Confident	136 Å²	136	38.8 Å²	38.8	64%	0.636	22%	0.216	S	C	*	.	S	Bend	trans	-140.3	155.7	-176.6	-65.4	178	-7.1	0	0	108.4	T624	Q622-T624 HydrophobicContact CB-CG2 3.63Å; Q622-T624 WeakPolarHBondContact CB-OG1 3.47Å; Q622-T624 PolarHBondContact O-N 3.23Å; Q622-T624 PolarHBondContact O-OG1 2.98Å
623	S	47.1	Very low	77.5	Confident	123 Å²	123	37.3 Å²	37.3	86%	0.86	21%	0.208	S	C	*	.	S	Bend	trans	-64	23.8	165.9	23.1	0	0	0	0	112.4
624	T	49.8	Very low	77.7	Confident	62 Å²	62	36.6 Å²	36.6	38%	0.38	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-68.5	132.5	176.9	38.6	0	0	0	0	110.1	E618 Q622 Y626	E618-T624 PolarHBondContact O-OG1 3.39Å; E618-T624 VanDerWaalsContact O-OG1 3.08Å; Q622-T624 HydrophobicContact CB-CG2 3.63Å; Q622-T624 WeakPolarHBondContact CB-OG1 3.47Å; Q622-T624 PolarHBondContact O-N 3.23Å; Q622-T624 PolarHBondContact O-OG1 2.98Å; T624-Y626 PolarHBondContact O-N 3.27Å
625	S	58.8	Low	77.8	Confident	63 Å²	63	36.6 Å²	36.6	44%	0.441	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-56.8	131	171.7	53.2	0	0	0	0	110.4	S627	S625-S627 PolarHBondContact O-N 3.01Å
626	Y	73.6	Confident	78.2	Confident	21 Å²	21	36.5 Å²	36.5	8%	0.082	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-49.3	124.5	164.4	-149.4	-64.4	0	0	0	108.9	I571 R573 P609 V619 T624 A630 D631	I571-Y626 WeakPolarHBondContact CD1-O 3.47Å; I571-Y626 HydrophobicContact CG2-CD1 3.44Å; I571-Y626 VanDerWaalsContact CG2-CD1 3.44Å; I571-Y626 HydrophobicContact CG2-CE1 3.82Å; I571-Y626 HydrophobicContact CG2-CG 4.44Å; R573-Y626 WeakPolarHBondContact CA-OH 3.31Å; R573-Y626 HydrophobicContact CB-CD1 4.35Å; R573-Y626 HydrophobicContact CB-CD2 4.18Å; R573-Y626 HydrophobicContact CB-CE1 4.07Å; R573-Y626 HydrophobicContact CB-CE2 3.91Å; R573-Y626 HydrophobicContact CB-CG 4.39Å; R573-Y626 HydrophobicContact CG-CD1 3.63Å; R573-Y626 HydrophobicContact CG-CD2 3.97Å; R573-Y626 HydrophobicContact CG-CE1 3.78Å; R573-Y626 HydrophobicContact CG-CE2 4.14Å; R573-Y626 HydrophobicContact CG-CG 3.7Å; R573-Y626 PolarHBondContact O-OH 3.48Å; P609-Y626 HydrophobicContact CG-CD2 3.95Å; P609-Y626 HydrophobicContact CG-CE2 4.17Å; V619-Y626 HydrophobicContact CB-CD2 4.5Å; V619-Y626 HydrophobicContact CG1-CD2 3.78Å; V619-Y626 HydrophobicContact CG1-CE2 4.01Å; V619-Y626 HydrophobicContact CG2-CD2 3.78Å; V619-Y626 HydrophobicContact CG2-CE2 3.78Å; V619-Y626 HydrophobicContact CG2-CG 4.33Å; T624-Y626 PolarHBondContact O-N 3.27Å; Y626-A630 HydrophobicContact CD1-CB 3.6Å; Y626-A630 HydrophobicContact CE1-CB 3.33Å; Y626-A630 HydrophobicContact CG-CB 4.35Å; Y626-D631 WeakPolarHBondContact CE1-OD1 3.23Å
627	S	79.8	Confident	78.6	Confident	24 Å²	24	36.5 Å²	36.5	17%	0.168	21%	0.205	C	C	.	.			trans	-115.4	174.8	-178.5	74.8	0	0	0	0	110.9	S625 K629 A630	S625-S627 PolarHBondContact O-N 3.01Å; S627-K629 PolarHBondContact O-N 3.14Å; S627-K629 WeakPolarHBondContact OG-CB 3.42Å; S627-K629 PolarHBondContact OG-N 3.46Å; S627-A630 PolarHBondContact O-N 3.21Å
628	T	87.3	Confident	79.1	Confident	40 Å²	40	36 Å²	36	25%	0.245	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-24.1	172.3	52.9	0	0	0	0	112.4	H564 I571 D631 V632	H564-T628 HydrophobicContact CB-CG2 4.11Å; H564-T628 PolarHBondContact CE1-O 2.78Å; H564-T628 VanDerWaalsContact CE1-O 3.31Å; I571-T628 HydrophobicContact CG1-CG2 4.33Å; T628-D631 WeakPolarHBondContact O-CB 3.19Å; T628-D631 PolarHBondContact O-N 3.37Å; T628-V632 WeakPolarHBondContact O-CG2 3.44Å; T628-V632 PolarHBondContact O-N 3.03Å; T628-V632 VanDerWaalsContact O-N 3.14Å
629	K	86.9	Confident	80	Confident	52 Å²	52	34.3 Å²	34.3	23%	0.226	20%	0.195	C	C	.	.	H	α-helix	trans	-68.8	-35	177.5	-61.6	-69.5	-177.4	169.1	0	112.8	S627 D631 V632 F633 P690 S693	S627-K629 PolarHBondContact O-N 3.14Å; S627-K629 WeakPolarHBondContact OG-CB 3.42Å; S627-K629 PolarHBondContact OG-N 3.46Å; K629-D631 VanDerWaalsContact C-N 3.31Å; K629-D631 PolarHBondContact O-N 3.49Å; K629-V632 WeakPolarHBondContact O-CB 3.38Å; K629-V632 PolarHBondContact O-N 3.23Å; K629-V632 VanDerWaalsContact O-N 3.11Å; K629-F633 PolarHBondContact O-N 2.85Å; K629-P690 HydrophobicContact CB-CB 3.76Å; K629-P690 HydrophobicContact CG-CB 4.11Å; K629-S693 PolarHBondContact NZ-O 3.2Å
630	A	88.2	Confident	80.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-38.3	175	0	0	0	0	0	111.4	A616 V619 Y626 S627 V632 F633 S634	A616-A630 HydrophobicContact CB-CB 3.75Å; V619-A630 HydrophobicContact CG2-CB 3.86Å; Y626-A630 HydrophobicContact CD1-CB 3.6Å; Y626-A630 HydrophobicContact CE1-CB 3.33Å; Y626-A630 HydrophobicContact CG-CB 4.35Å; S627-A630 PolarHBondContact O-N 3.21Å; A630-V632 VanDerWaalsContact C-N 3.34Å; A630-V632 PolarHBondContact O-N 2.97Å; A630-F633 WeakPolarHBondContact O-CB 3.27Å; A630-F633 PolarHBondContact O-N 3.11Å; A630-S634 PolarHBondContact O-N 3.05Å; A630-S634 VanDerWaalsContact O-N 3.07Å; A630-S634 PolarHBondContact O-OG 2.89Å
631	D	91.9	Very high	82.2	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-37.2	171.9	-75.1	-17.6	0	0	0	112.1	M560 H564 I571 H572 R573 Y626 T628 K629 F633 S634 Y635	M560-D631 HydrophobicContact CE-CB 3.61Å; M560-D631 WeakPolarHBondContact CE-OD2 3.2Å; H564-D631 IonicContact CD2-OD2 3.89Å; H564-D631 IonicContact CE1-OD2 3.35Å; H564-D631 IonicContact NE2-OD2 3.72Å; H564-D631 PolarHBondContact NE2-OD2 3.49Å; I571-D631 WeakPolarHBondContact CA-OD2 3.48Å; I571-D631 WeakPolarHBondContact CG2-OD2 3.37Å; H572-D631 PolarHBondContact N-OD1 3.41Å; H572-D631 PolarHBondContact N-OD2 2.94Å; R573-D631 PolarHBondContact N-OD1 3.01Å; Y626-D631 WeakPolarHBondContact CE1-OD1 3.23Å; T628-D631 WeakPolarHBondContact O-CB 3.19Å; T628-D631 PolarHBondContact O-N 3.37Å; K629-D631 VanDerWaalsContact C-N 3.31Å; K629-D631 PolarHBondContact O-N 3.49Å; D631-F633 VanDerWaalsContact C-N 3.33Å; D631-S634 PolarHBondContact O-N 3.22Å; D631-Y635 WeakPolarHBondContact O-CB 3.43Å; D631-Y635 PolarHBondContact O-N 3.08Å
632	V	92.9	Very high	83.8	Confident	22 Å²	22	27.3 Å²	27.3	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-38.7	176.2	170.2	0	0	0	0	111.3	T628 K629 A630 Y635 A636 A685 L695 I699	T628-V632 WeakPolarHBondContact O-CG2 3.44Å; T628-V632 PolarHBondContact O-N 3.03Å; T628-V632 VanDerWaalsContact O-N 3.14Å; K629-V632 WeakPolarHBondContact O-CB 3.38Å; K629-V632 PolarHBondContact O-N 3.23Å; K629-V632 VanDerWaalsContact O-N 3.11Å; A630-V632 VanDerWaalsContact C-N 3.34Å; A630-V632 PolarHBondContact O-N 2.97Å; V632-Y635 WeakPolarHBondContact O-CB 3.34Å; V632-Y635 PolarHBondContact O-N 3.01Å; V632-A636 PolarHBondContact O-N 3.28Å; V632-A685 HydrophobicContact CG1-CB 3.75Å; V632-L695 HydrophobicContact CG1-CD1 4.35Å; V632-I699 HydrophobicContact CG1-CD1 3.65Å; V632-I699 HydrophobicContact CG2-CD1 4.49Å
633	F	92.8	Very high	85.8	Confident	3 Å²	3	21 Å²	21	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-47.3	173.6	-174.2	-82	0	0	0	111.5	A616 P617 K629 A630 D631 Y635 A636 L637 M661 W686	A616-F633 VanDerWaalsContact CA-CD1 3.49Å; A616-F633 HydrophobicContact CB-CB 3.7Å; A616-F633 HydrophobicContact CB-CD1 3.77Å; A616-F633 HydrophobicContact CB-CD2 4.48Å; A616-F633 HydrophobicContact CB-CG 3.74Å; P617-F633 VanDerWaalsContact CD-CZ 3.47Å; P617-F633 HydrophobicContact CG-CE2 4.12Å; P617-F633 HydrophobicContact CG-CZ 4.25Å; K629-F633 PolarHBondContact O-N 2.85Å; A630-F633 WeakPolarHBondContact O-CB 3.27Å; A630-F633 PolarHBondContact O-N 3.11Å; D631-F633 VanDerWaalsContact C-N 3.33Å; F633-Y635 VanDerWaalsContact C-N 3.32Å; F633-Y635 PolarHBondContact O-N 3.23Å; F633-A636 PolarHBondContact O-N 3.44Å; F633-L637 HydrophobicContact CD1-CD1 3.9Å; F633-L637 HydrophobicContact CD1-CG 4.45Å; F633-L637 HydrophobicContact CE1-CD1 3.55Å; F633-L637 HydrophobicContact CE1-CG 4.19Å; F633-L637 PolarHBondContact O-N 2.58Å; F633-L637 VanDerWaalsContact O-N 3.13Å; F633-M661 HydrophobicContact CE1-SD 3.98Å; F633-M661 HydrophobicContact CZ-SD 4.02Å; F633-W686 AromaticContact CD2-CD1 3.45Å; F633-W686 VanDerWaalsContact CD2-CD1 3.45Å; F633-W686 HydrophobicContact CD2-CG 4.25Å; F633-W686 HydrophobicContact CE2-CB 4.14Å; F633-W686 AromaticContact CE2-CD1 3.41Å; F633-W686 VanDerWaalsContact CE2-CD1 3.41Å; F633-W686 AromaticContact CE2-CG 3.9Å; F633-W686 HydrophobicContact CE2-CG 3.9Å; F633-W686 AromaticContact CG-CD1 3.92Å; F633-W686 AromaticContact CZ-CD1 3.88Å; F633-W686 HydrophobicContact CZ-CG 4.43Å; F633-W686 PolarHBondContact O-NE1 3.03Å
634	S	94.2	Very high	88	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-39.8	175.8	-60.3	0	0	0	0	112.3	L575 W614 A630 D631 A636 L637 C638	L575-S634 WeakPolarHBondContact O-CB 3.36Å; W614-S634 WeakPolarHBondContact O-CA 3.18Å; W614-S634 WeakPolarHBondContact O-CB 3.2Å; W614-S634 PolarHBondContact O-OG 3.39Å; A630-S634 PolarHBondContact O-N 3.05Å; A630-S634 VanDerWaalsContact O-N 3.07Å; A630-S634 PolarHBondContact O-OG 2.89Å; D631-S634 PolarHBondContact O-N 3.22Å; S634-A636 PolarHBondContact O-N 3.5Å; S634-L637 WeakPolarHBondContact O-CB 3.22Å; S634-L637 PolarHBondContact O-N 3.01Å; S634-C638 PolarHBondContact O-N 2.93Å
635	Y	95.8	Very high	89.9	Confident	6 Å²	6	16.3 Å²	16.3	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-46.4	173.2	158.5	-96.8	0	0	0	111.7	G553 I556 A557 D631 V632 F633 L637 C638 V639 I681 I699 M703	G553-Y635 WeakPolarHBondContact O-CE2 3.2Å; I556-Y635 HydrophobicContact CB-CD2 4.28Å; I556-Y635 HydrophobicContact CB-CE2 4.28Å; I556-Y635 HydrophobicContact CG2-CD2 3.7Å; I556-Y635 HydrophobicContact CG2-CE2 4.21Å; A557-Y635 HydrophobicContact CB-CE2 3.79Å; D631-Y635 WeakPolarHBondContact O-CB 3.43Å; D631-Y635 PolarHBondContact O-N 3.08Å; V632-Y635 WeakPolarHBondContact O-CB 3.34Å; V632-Y635 PolarHBondContact O-N 3.01Å; F633-Y635 VanDerWaalsContact C-N 3.32Å; F633-Y635 PolarHBondContact O-N 3.23Å; Y635-L637 VanDerWaalsContact C-N 3.28Å; Y635-L637 PolarHBondContact O-N 2.94Å; Y635-C638 WeakPolarHBondContact O-CB 3.45Å; Y635-C638 PolarHBondContact O-N 3.23Å; Y635-C638 VanDerWaalsContact O-N 3.1Å; Y635-V639 HydrophobicContact CD2-CG2 4.14Å; Y635-V639 HydrophobicContact CE1-CG2 4.03Å; Y635-V639 HydrophobicContact CE2-CG2 3.54Å; Y635-V639 VanDerWaalsContact CZ-CG2 3.48Å; Y635-V639 WeakPolarHBondContact O-CG2 3.4Å; Y635-V639 PolarHBondContact O-N 2.99Å; Y635-I681 HydrophobicContact CE1-CG2 4.23Å; Y635-I699 HydrophobicContact CD1-CD1 4.3Å; Y635-I699 HydrophobicContact CE1-CD1 4.18Å; Y635-I699 HydrophobicContact CE1-CG2 3.58Å; Y635-I699 WeakPolarHBondContact OH-CG2 3.26Å; Y635-M703 PolarHBondContact OH-SD 3.18Å
636	A	95.5	Very high	91.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-31.7	178.3	0	0	0	0	0	112.8	V632 F633 S634 V639 W640 I682 A685	V632-A636 PolarHBondContact O-N 3.28Å; F633-A636 PolarHBondContact O-N 3.44Å; S634-A636 PolarHBondContact O-N 3.5Å; A636-V639 PolarHBondContact O-N 3.16Å; A636-W640 WeakPolarHBondContact O-CB 3.3Å; A636-W640 PolarHBondContact O-N 3.02Å; A636-I682 HydrophobicContact CB-CG1 4.41Å; A636-I682 HydrophobicContact CB-CG2 4.44Å; A636-A685 HydrophobicContact CB-CB 3.47Å; A636-A685 VanDerWaalsContact CB-CB 3.47Å
637	L	95.6	Very high	92.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.8	-40	170.3	-72.1	171.5	0	0	0	112.5	W614 F633 S634 Y635 W640 E641 P648 M661 P668 W686	W614-L637 HydrophobicContact CB-CD1 4.35Å; W614-L637 HydrophobicContact CG-CB 4.43Å; F633-L637 HydrophobicContact CD1-CD1 3.9Å; F633-L637 HydrophobicContact CD1-CG 4.45Å; F633-L637 HydrophobicContact CE1-CD1 3.55Å; F633-L637 HydrophobicContact CE1-CG 4.19Å; F633-L637 PolarHBondContact O-N 2.58Å; F633-L637 VanDerWaalsContact O-N 3.13Å; S634-L637 WeakPolarHBondContact O-CB 3.22Å; S634-L637 PolarHBondContact O-N 3.01Å; Y635-L637 VanDerWaalsContact C-N 3.28Å; Y635-L637 PolarHBondContact O-N 2.94Å; L637-W640 PolarHBondContact O-N 2.91Å; L637-E641 VanDerWaalsContact O-CB 3.31Å; L637-E641 WeakPolarHBondContact O-CB 3.46Å; L637-E641 PolarHBondContact O-N 2.81Å; L637-P648 HydrophobicContact CB-CG 4.23Å; L637-P648 HydrophobicContact CD2-CB 3.8Å; L637-P648 HydrophobicContact CD2-CG 3.81Å; L637-M661 HydrophobicContact CD1-CE 4.22Å; L637-M661 HydrophobicContact CD1-SD 4.1Å; L637-M661 HydrophobicContact CD2-SD 4.31Å; L637-P668 HydrophobicContact CD2-CG 3.78Å; L637-W686 HydrophobicContact CD2-CH2 4.18Å; L637-W686 HydrophobicContact CD2-CZ2 3.36Å; L637-W686 HydrophobicContact CG-CZ2 3.91Å
638	C	96.1	Very high	92.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-44	172.4	-68.3	0	0	0	0	111.9	N576 S634 Y635 E641 I642	N576-C638 WeakPolarHBondContact CA-SG 3.31Å; S634-C638 PolarHBondContact O-N 2.93Å; Y635-C638 WeakPolarHBondContact O-CB 3.45Å; Y635-C638 PolarHBondContact O-N 3.23Å; Y635-C638 VanDerWaalsContact O-N 3.1Å; C638-E641 PolarHBondContact O-N 3.39Å; C638-I642 WeakPolarHBondContact O-CD1 3.35Å; C638-I642 VanDerWaalsContact O-CG1 3.22Å; C638-I642 WeakPolarHBondContact O-CG1 3.4Å; C638-I642 PolarHBondContact O-N 3.18Å
639	V	96.3	Very high	92.9	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	9%	0.087	C	C	.	.	H	α-helix	trans	-64	-43.6	177.5	176.4	0	0	0	0	110.8	Y635 A636 E641 I642 H643 V678 I682	Y635-V639 HydrophobicContact CD2-CG2 4.14Å; Y635-V639 HydrophobicContact CE1-CG2 4.03Å; Y635-V639 HydrophobicContact CE2-CG2 3.54Å; Y635-V639 VanDerWaalsContact CZ-CG2 3.48Å; Y635-V639 WeakPolarHBondContact O-CG2 3.4Å; Y635-V639 PolarHBondContact O-N 2.99Å; A636-V639 PolarHBondContact O-N 3.16Å; V639-E641 VanDerWaalsContact C-N 3.33Å; V639-E641 PolarHBondContact O-N 3.36Å; V639-I642 PolarHBondContact O-N 2.92Å; V639-H643 PolarHBondContact O-CD2 2.88Å; V639-H643 VanDerWaalsContact O-CD2 3.3Å; V639-H643 PolarHBondContact O-N 3.4Å; V639-V678 HydrophobicContact CG1-CG1 3.45Å; V639-V678 VanDerWaalsContact CG1-CG1 3.45Å; V639-I682 HydrophobicContact CG1-CD1 4.25Å; V639-I682 HydrophobicContact CG1-CG1 4.41Å
640	W	96.3	Very high	93	Very high	13 Å²	13	14.8 Å²	14.8	5%	0.049	9%	0.092	C	C	.	.	H	α-helix	trans	-56.8	-47.9	173.8	-177	90.8	0	0	0	111.6	A636 L637 I642 H643 V644 D646 P648 P668 S669 I674 I682 W686	A636-W640 WeakPolarHBondContact O-CB 3.3Å; A636-W640 PolarHBondContact O-N 3.02Å; L637-W640 PolarHBondContact O-N 2.91Å; W640-I642 PolarHBondContact O-N 2.85Å; W640-H643 PolarHBondContact O-N 3.32Å; W640-V644 HydrophobicContact CD2-CB 4.34Å; W640-V644 HydrophobicContact CD2-CG2 3.94Å; W640-V644 HydrophobicContact CE3-CB 4.4Å; W640-V644 HydrophobicContact CE3-CG2 4.5Å; W640-V644 HydrophobicContact CG-CG2 4.34Å; W640-V644 HydrophobicContact CH2-CB 4.09Å; W640-V644 HydrophobicContact CH2-CG1 3.76Å; W640-V644 HydrophobicContact CH2-CG2 4.31Å; W640-V644 HydrophobicContact CZ2-CB 4.03Å; W640-V644 HydrophobicContact CZ2-CG1 3.83Å; W640-V644 HydrophobicContact CZ2-CG2 3.74Å; W640-V644 HydrophobicContact CZ3-CB 4.28Å; W640-V644 HydrophobicContact CZ3-CG1 4.33Å; W640-V644 WeakPolarHBondContact O-CB 3.32Å; W640-V644 WeakPolarHBondContact O-CG2 3.42Å; W640-V644 PolarHBondContact O-N 2.96Å; W640-D646 VanDerWaalsContact CZ3-O 3.27Å; W640-D646 WeakPolarHBondContact CZ3-O 3.26Å; W640-P648 HydrophobicContact CE3-CG 4.07Å; W640-P648 HydrophobicContact CZ3-CB 4.48Å; W640-P648 HydrophobicContact CZ3-CG 4.25Å; W640-P668 HydrophobicContact CD2-CB 3.73Å; W640-P668 HydrophobicContact CD2-CG 4.42Å; W640-P668 HydrophobicContact CE3-CB 4.21Å; W640-P668 HydrophobicContact CG-CB 4.28Å; W640-P668 HydrophobicContact CH2-CB 4.02Å; W640-P668 HydrophobicContact CZ2-CB 3.49Å; W640-P668 VanDerWaalsContact CZ2-CB 3.49Å; W640-P668 HydrophobicContact CZ3-CB 4.33Å; W640-S669 PolarHBondContact NE1-O 3.25Å; W640-I674 HydrophobicContact CG-CD1 4.44Å; W640-I682 HydrophobicContact CB-CD1 4.14Å; W640-W686 HydrophobicContact CB-CH2 3.89Å; W640-W686 HydrophobicContact CB-CZ2 4.02Å; W640-W686 AromaticContact CD1-CH2 3.64Å; W640-W686 AromaticContact CG-CH2 3.76Å; W640-W686 HydrophobicContact CG-CH2 3.76Å; W640-W686 HydrophobicContact CG-CZ2 4.35Å
641	E	95.5	Very high	92.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-41.7	178.4	177.3	-179.2	-179.3	0	0	112.5	L537 H538 S577 W614 L637 C638 V639 H643 G645	L537-E641 HydrophobicContact CD1-CG 4.11Å; H538-E641 IonicContact CD2-OE1 3.96Å; H538-E641 PolarHBondContact CD2-OE1 2.96Å; H538-E641 IonicContact CE1-OE1 3.83Å; H538-E641 IonicContact NE2-OE1 2.72Å; H538-E641 PolarHBondContact NE2-OE1 2.99Å; S577-E641 VanDerWaalsContact CB-OE1 3.22Å; S577-E641 WeakPolarHBondContact CB-OE1 3.21Å; S577-E641 WeakPolarHBondContact CB-OE2 3.45Å; S577-E641 VanDerWaalsContact OG-CD 3.26Å; S577-E641 PolarHBondContact OG-OE1 3.1Å; S577-E641 PolarHBondContact OG-OE2 3.37Å; W614-E641 VanDerWaalsContact CE2-OE2 3.3Å; W614-E641 VanDerWaalsContact CZ2-OE2 3.24Å; W614-E641 WeakPolarHBondContact CZ2-OE2 3.42Å; W614-E641 PolarHBondContact NE1-OE2 3.09Å; L637-E641 VanDerWaalsContact O-CB 3.31Å; L637-E641 WeakPolarHBondContact O-CB 3.46Å; L637-E641 PolarHBondContact O-N 2.81Å; C638-E641 PolarHBondContact O-N 3.39Å; V639-E641 VanDerWaalsContact C-N 3.33Å; V639-E641 PolarHBondContact O-N 3.36Å; E641-H643 VanDerWaalsContact C-N 3.31Å; E641-H643 PolarHBondContact O-N 3.37Å; E641-G645 WeakPolarHBondContact O-CA 3.47Å; E641-G645 PolarHBondContact O-N 3.24Å
642	I	95	Very high	92.7	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-41.2	175.7	-69.9	159.8	0	0	0	111.4	L533 L537 K549 I552 I556 C638 V639 W640	L533-I642 HydrophobicContact CD1-CG1 4.47Å; L533-I642 HydrophobicContact CD2-CD1 3.86Å; L533-I642 HydrophobicContact CD2-CG1 3.75Å; L537-I642 HydrophobicContact CD1-CG1 4.21Å; K549-I642 HydrophobicContact CB-CG2 3.65Å; K549-I642 HydrophobicContact CD-CG2 4.46Å; K549-I642 VanDerWaalsContact CE-O 3.24Å; K549-I642 WeakPolarHBondContact CE-O 3.39Å; K549-I642 HydrophobicContact CG-CG2 3.74Å; I552-I642 HydrophobicContact CB-CD1 4.33Å; I552-I642 HydrophobicContact CG2-CD1 3.59Å; I552-I642 HydrophobicContact CG2-CG1 4.38Å; I556-I642 HydrophobicContact CD1-CD1 4.03Å; C638-I642 WeakPolarHBondContact O-CD1 3.35Å; C638-I642 VanDerWaalsContact O-CG1 3.22Å; C638-I642 WeakPolarHBondContact O-CG1 3.4Å; C638-I642 PolarHBondContact O-N 3.18Å; V639-I642 PolarHBondContact O-N 2.92Å; W640-I642 PolarHBondContact O-N 2.85Å
643	H	93.5	Very high	92.4	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.019	15%	0.148	C	C	.	.	H	α-helix	trans	-79.1	-43.2	-176.9	-80.6	-89.8	0	0	0	112.9	K549 V639 W640 E641 I674	K549-H643 PolarHBondContact NZ-O 3Å; V639-H643 PolarHBondContact O-CD2 2.88Å; V639-H643 VanDerWaalsContact O-CD2 3.3Å; V639-H643 PolarHBondContact O-N 3.4Å; W640-H643 PolarHBondContact O-N 3.32Å; E641-H643 VanDerWaalsContact C-N 3.31Å; E641-H643 PolarHBondContact O-N 3.37Å; H643-I674 HydrophobicContact CB-CB 4.44Å; H643-I674 HydrophobicContact CB-CG1 3.79Å; H643-I674 HydrophobicContact CB-CG2 4.48Å
644	V	92.1	Very high	92	Very high	47 Å²	47	29.7 Å²	29.7	29%	0.285	16%	0.164	S	C	.	.	H	α-helix	trans	-80.5	-32.5	-177	178.7	0	0	0	0	112.3	W640 D646 A671 I674	W640-V644 HydrophobicContact CD2-CB 4.34Å; W640-V644 HydrophobicContact CD2-CG2 3.94Å; W640-V644 HydrophobicContact CE3-CB 4.4Å; W640-V644 HydrophobicContact CE3-CG2 4.5Å; W640-V644 HydrophobicContact CG-CG2 4.34Å; W640-V644 HydrophobicContact CH2-CB 4.09Å; W640-V644 HydrophobicContact CH2-CG1 3.76Å; W640-V644 HydrophobicContact CH2-CG2 4.31Å; W640-V644 HydrophobicContact CZ2-CB 4.03Å; W640-V644 HydrophobicContact CZ2-CG1 3.83Å; W640-V644 HydrophobicContact CZ2-CG2 3.74Å; W640-V644 HydrophobicContact CZ3-CB 4.28Å; W640-V644 HydrophobicContact CZ3-CG1 4.33Å; W640-V644 WeakPolarHBondContact O-CB 3.32Å; W640-V644 WeakPolarHBondContact O-CG2 3.42Å; W640-V644 PolarHBondContact O-N 2.96Å; V644-D646 VanDerWaalsContact C-N 3.32Å; V644-D646 HydrophobicContact CG1-CB 4.16Å; V644-A671 HydrophobicContact CG2-CB 4.14Å; V644-I674 HydrophobicContact CG2-CD1 3.96Å; V644-I674 HydrophobicContact CG2-CG1 4.22Å
645	G	90.5	Very high	91.6	Very high	40 Å²	40	32 Å²	32	41%	0.412	18%	0.183	S	C	.	.			trans	73.8	23.2	-177	0	0	0	0	0	113.6	E641	E641-G645 WeakPolarHBondContact O-CA 3.47Å; E641-G645 PolarHBondContact O-N 3.24Å
646	D	90.5	Very high	91.1	Very high	64 Å²	64	33.4 Å²	33.4	34%	0.342	20%	0.196	S	C	.	.	S	Bend	trans	-136.7	161.7	176.1	-164.9	12.2	0	0	0	110	W640 V644 S650	W640-D646 VanDerWaalsContact CZ3-O 3.27Å; W640-D646 WeakPolarHBondContact CZ3-O 3.26Å; V644-D646 VanDerWaalsContact C-N 3.32Å; V644-D646 HydrophobicContact CG1-CB 4.16Å; D646-S650 WeakPolarHBondContact OD1-CB 3.37Å; D646-S650 PolarHBondContact OD1-OG 2.94Å; D646-S650 VanDerWaalsContact OD2-CB 3.29Å; D646-S650 WeakPolarHBondContact OD2-CB 3.16Å; D646-S650 PolarHBondContact OD2-OG 2.84Å
647	L	92.1	Very high	90.8	Very high	34 Å²	34	33.4 Å²	33.4	18%	0.178	20%	0.196	C	C	.	.			trans	-76.2	141.8	178	-63.9	175.9	0	0	0	110.9	F534 H538 W614 F649 S650	F534-L647 HydrophobicContact CD2-CD2 4.36Å; F534-L647 HydrophobicContact CE2-CD1 4.43Å; F534-L647 HydrophobicContact CE2-CD2 3.88Å; H538-L647 WeakPolarHBondContact NE2-CD2 3.41Å; W614-L647 HydrophobicContact CH2-CD2 3.76Å; W614-L647 HydrophobicContact CZ2-CD2 3.67Å; L647-F649 PolarHBondContact O-N 2.72Å; L647-F649 VanDerWaalsContact O-N 3.11Å; L647-S650 WeakPolarHBondContact O-CB 3.29Å; L647-S650 PolarHBondContact O-N 3.07Å
648	P	90	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	120.3	173.6	-25.4	33.2	0	0	0	111.2	R613 L637 W640 S650 P668	R613-P648 WeakPolarHBondContact CD-O 3.48Å; R613-P648 HydrophobicContact CG-CB 4.28Å; R613-P648 WeakPolarHBondContact CG-O 3.5Å; R613-P648 PolarHBondContact NH1-O 3.25Å; L637-P648 HydrophobicContact CB-CG 4.23Å; L637-P648 HydrophobicContact CD2-CB 3.8Å; L637-P648 HydrophobicContact CD2-CG 3.81Å; W640-P648 HydrophobicContact CE3-CG 4.07Å; W640-P648 HydrophobicContact CZ3-CB 4.48Å; W640-P648 HydrophobicContact CZ3-CG 4.25Å; P648-S650 PolarHBondContact O-N 2.93Å; P648-P668 HydrophobicContact CB-CG 3.93Å
649	F	89.5	Confident	89.8	Confident	24 Å²	24	37.8 Å²	37.8	11%	0.105	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	50.4	-171.4	-55.2	-90.2	0	0	0	112.6	R613 L647 H651 L652 A657 E660 M661 P668	R613-F649 PolarHBondContact NH1-O 2.97Å; L647-F649 PolarHBondContact O-N 2.72Å; L647-F649 VanDerWaalsContact O-N 3.11Å; F649-H651 AromaticContact CD1-CE1 3.93Å; F649-H651 PolarHBondContact O-N 3.38Å; F649-H651 VanDerWaalsContact O-N 3.1Å; F649-L652 HydrophobicContact CB-CB 4.3Å; F649-L652 HydrophobicContact CB-CD1 4.06Å; F649-L652 HydrophobicContact CB-CG 4.3Å; F649-L652 HydrophobicContact CD1-CD1 4.25Å; F649-L652 HydrophobicContact CG-CD1 4.45Å; F649-L652 PolarHBondContact O-N 3.43Å; F649-A657 HydrophobicContact CB-CB 3.75Å; F649-A657 HydrophobicContact CD2-CB 4.34Å; F649-A657 HydrophobicContact CG-CB 4.35Å; F649-E660 HydrophobicContact CD1-CB 4.49Å; F649-E660 HydrophobicContact CE1-CB 4.28Å; F649-E660 HydrophobicContact CZ-CB 4.49Å; F649-M661 HydrophobicContact CD2-CG 4.18Å; F649-M661 HydrophobicContact CD2-SD 4.39Å; F649-M661 HydrophobicContact CE2-CG 3.41Å; F649-M661 VanDerWaalsContact CE2-CG 3.41Å; F649-M661 HydrophobicContact CE2-SD 3.86Å; F649-M661 HydrophobicContact CZ-CG 4.07Å; F649-P668 HydrophobicContact CD2-CG 4.27Å; F649-P668 HydrophobicContact CE2-CG 3.85Å
650	S	88.4	Confident	89.4	Confident	46 Å²	46	39.5 Å²	39.5	32%	0.322	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-32.2	-178.5	55	0	0	0	0	114.2	D646 L647 P648 L652	D646-S650 WeakPolarHBondContact OD1-CB 3.37Å; D646-S650 PolarHBondContact OD1-OG 2.94Å; D646-S650 VanDerWaalsContact OD2-CB 3.29Å; D646-S650 WeakPolarHBondContact OD2-CB 3.16Å; D646-S650 PolarHBondContact OD2-OG 2.84Å; L647-S650 WeakPolarHBondContact O-CB 3.29Å; L647-S650 PolarHBondContact O-N 3.07Å; P648-S650 PolarHBondContact O-N 2.93Å; S650-L652 PolarHBondContact O-N 2.88Å
651	H	85.8	Confident	89	Confident	127 Å²	127	39 Å²	39	59%	0.588	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.3	174.9	61.3	-80.6	0	0	0	114.6	F649	F649-H651 AromaticContact CD1-CE1 3.93Å; F649-H651 PolarHBondContact O-N 3.38Å; F649-H651 VanDerWaalsContact O-N 3.1Å
652	L	87.5	Confident	88.4	Confident	40 Å²	40	39.5 Å²	39.5	21%	0.209	23%	0.229	C	C	.	.	S	Bend	trans	-111.6	150.9	179.7	-58	-179.7	0	0	0	111.4	R613 F649 S650 A656 A657 E660	R613-L652 PolarHBondContact NH1-O 3.27Å; R613-L652 VanDerWaalsContact NH1-O 3.1Å; R613-L652 PolarHBondContact NH2-O 3.21Å; F649-L652 HydrophobicContact CB-CB 4.3Å; F649-L652 HydrophobicContact CB-CD1 4.06Å; F649-L652 HydrophobicContact CB-CG 4.3Å; F649-L652 HydrophobicContact CD1-CD1 4.25Å; F649-L652 HydrophobicContact CG-CD1 4.45Å; F649-L652 PolarHBondContact O-N 3.43Å; S650-L652 PolarHBondContact O-N 2.88Å; L652-A656 HydrophobicContact CB-CB 4.03Å; L652-A657 HydrophobicContact CB-CB 4.28Å; L652-E660 HydrophobicContact CD1-CB 4.35Å; L652-E660 HydrophobicContact CD1-CG 3.26Å
653	K	86.4	Confident	87.8	Confident	118 Å²	118	46.6 Å²	46.6	51%	0.513	26%	0.257	S	S	.	.			trans	-63.5	154.7	166.6	-67.9	-178.4	-175	168.9	0	110.6	A655 A656 A657	K653-A655 VanDerWaalsContact C-N 3.29Å; K653-A655 PolarHBondContact O-N 3.03Å; K653-A655 VanDerWaalsContact O-N 3.14Å; K653-A656 WeakPolarHBondContact O-CA 3.45Å; K653-A656 PolarHBondContact O-N 3.02Å; K653-A657 PolarHBondContact O-N 3.45Å
654	P	85.7	Confident	87.3	Confident	53 Å²	53	53.3 Å²	53.3	34%	0.344	29%	0.286	S	S	.	.	H	α-helix	trans	-51.4	-42.1	-177.7	-29.9	36	0	0	0	114.7	L612 R613 A658	L612-P654 HydrophobicContact CB-CB 4.16Å; R613-P654 HydrophobicContact CB-CB 4.09Å; P654-A658 WeakPolarHBondContact O-CB 3.49Å; P654-A658 PolarHBondContact O-N 3.37Å
655	A	84.8	Confident	87	Confident	50 Å²	50	52.5 Å²	52.5	41%	0.413	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-36.9	176.7	0	0	0	0	0	113.1	L612 K653 A658 L659	L612-A655 HydrophobicContact CD1-CB 3.81Å; K653-A655 VanDerWaalsContact C-N 3.29Å; K653-A655 PolarHBondContact O-N 3.03Å; K653-A655 VanDerWaalsContact O-N 3.14Å; A655-A658 WeakPolarHBondContact O-CB 3.44Å; A655-A658 PolarHBondContact O-N 3.41Å; A655-L659 VanDerWaalsContact O-CG 3.26Å; A655-L659 WeakPolarHBondContact O-CG 3.41Å; A655-L659 PolarHBondContact O-N 3.47Å
656	A	86.6	Confident	86.9	Confident	37 Å²	37	52.4 Å²	52.4	31%	0.306	28%	0.28	S	S	.	.	H	α-helix	trans	-73.2	-40.1	177.5	0	0	0	0	0	111.6	L652 K653 A658 L659 E660	L652-A656 HydrophobicContact CB-CB 4.03Å; K653-A656 WeakPolarHBondContact O-CA 3.45Å; K653-A656 PolarHBondContact O-N 3.02Å; A656-A658 VanDerWaalsContact C-N 3.29Å; A656-A658 PolarHBondContact O-N 3.04Å; A656-L659 PolarHBondContact O-N 2.86Å; A656-E660 WeakPolarHBondContact O-CG 3.49Å; A656-E660 PolarHBondContact O-N 2.89Å
657	A	88.9	Confident	86.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-43.4	171	0	0	0	0	0	111.6	R613 F649 L652 K653 E660 M661	R613-A657 HydrophobicContact CG-CB 4.29Å; F649-A657 HydrophobicContact CB-CB 3.75Å; F649-A657 HydrophobicContact CD2-CB 4.34Å; F649-A657 HydrophobicContact CG-CB 4.35Å; L652-A657 HydrophobicContact CB-CB 4.28Å; K653-A657 PolarHBondContact O-N 3.45Å; A657-E660 PolarHBondContact O-N 2.88Å; A657-M661 WeakPolarHBondContact O-CG 3.44Å; A657-M661 PolarHBondContact O-N 3.4Å; A657-M661 VanDerWaalsContact O-N 3.16Å
658	A	86.6	Confident	86.9	Confident	1 Å²	1	51 Å²	51	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-44.4	174.3	0	0	0	0	0	112.6	L612 F620 P654 A655 A656 M661 A662	L612-A658 HydrophobicContact CB-CB 4.13Å; L612-A658 VanDerWaalsContact O-CB 3.31Å; L612-A658 WeakPolarHBondContact O-CB 3.33Å; F620-A658 HydrophobicContact CE1-CB 4.15Å; F620-A658 HydrophobicContact CE2-CB 3.86Å; F620-A658 HydrophobicContact CZ-CB 3.48Å; F620-A658 VanDerWaalsContact CZ-CB 3.48Å; P654-A658 WeakPolarHBondContact O-CB 3.49Å; P654-A658 PolarHBondContact O-N 3.37Å; A655-A658 WeakPolarHBondContact O-CB 3.44Å; A655-A658 PolarHBondContact O-N 3.41Å; A656-A658 VanDerWaalsContact C-N 3.29Å; A656-A658 PolarHBondContact O-N 3.04Å; A658-M661 PolarHBondContact O-N 3.35Å; A658-A662 VanDerWaalsContact O-CB 3.26Å; A658-A662 WeakPolarHBondContact O-CB 3.49Å; A658-A662 PolarHBondContact O-N 3.26Å
659	L	84.3	Confident	86.9	Confident	92 Å²	92	55.3 Å²	55.3	48%	0.482	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-39.5	177.1	-73.2	171.8	0	0	0	112.5	A655 A656 A662 Y663	A655-L659 VanDerWaalsContact O-CG 3.26Å; A655-L659 WeakPolarHBondContact O-CG 3.41Å; A655-L659 PolarHBondContact O-N 3.47Å; A656-L659 PolarHBondContact O-N 2.86Å; L659-A662 PolarHBondContact O-N 3.11Å; L659-Y663 HydrophobicContact CD2-CD2 3.49Å; L659-Y663 VanDerWaalsContact CD2-CD2 3.49Å; L659-Y663 HydrophobicContact CD2-CE2 3.44Å; L659-Y663 VanDerWaalsContact CD2-CE2 3.44Å; L659-Y663 WeakPolarHBondContact O-CB 3.16Å; L659-Y663 PolarHBondContact O-N 3.18Å
660	E	87	Confident	86.9	Confident	38 Å²	38	56.7 Å²	56.7	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-48.3	173.7	-75.6	-62.4	141.8	0	0	111.5	F649 L652 A656 A657 K664 G665 S666	F649-E660 HydrophobicContact CD1-CB 4.49Å; F649-E660 HydrophobicContact CE1-CB 4.28Å; F649-E660 HydrophobicContact CZ-CB 4.49Å; L652-E660 HydrophobicContact CD1-CB 4.35Å; L652-E660 HydrophobicContact CD1-CG 3.26Å; A656-E660 WeakPolarHBondContact O-CG 3.49Å; A656-E660 PolarHBondContact O-N 2.89Å; A657-E660 PolarHBondContact O-N 2.88Å; E660-K664 CarbonylContact O-C 3.52Å; E660-K664 WeakPolarHBondContact O-CA 3.4Å; E660-K664 WeakPolarHBondContact O-CB 3.43Å; E660-K664 PolarHBondContact O-N 2.63Å; E660-K664 VanDerWaalsContact O-N 3.12Å; E660-K664 WeakPolarHBondContact OE1-CE 3.49Å; E660-K664 IonicContact OE1-NZ 2.77Å; E660-K664 PolarHBondContact OE1-NZ 3.49Å; E660-K664 VanDerWaalsContact OE2-CD 3.26Å; E660-K664 WeakPolarHBondContact OE2-CD 3.38Å; E660-K664 IonicContact OE2-NZ 3.65Å; E660-K664 PolarHBondContact OE2-NZ 3.48Å; E660-G665 PolarHBondContact O-N 2.94Å; E660-S666 PolarHBondContact O-N 3.18Å; E660-S666 PolarHBondContact OE2-OG 2.89Å
661	M	88.3	Confident	86.4	Confident	2 Å²	2	56 Å²	56	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-67.4	-39.9	179.8	-66.8	-171.3	-68.2	0	0	112.5	R613 F633 L637 F649 A657 A658 S666 R667	R613-M661 VanDerWaalsContact O-CE 3.22Å; R613-M661 WeakPolarHBondContact O-CE 3.43Å; F633-M661 HydrophobicContact CE1-SD 3.98Å; F633-M661 HydrophobicContact CZ-SD 4.02Å; L637-M661 HydrophobicContact CD1-CE 4.22Å; L637-M661 HydrophobicContact CD1-SD 4.1Å; L637-M661 HydrophobicContact CD2-SD 4.31Å; F649-M661 HydrophobicContact CD2-CG 4.18Å; F649-M661 HydrophobicContact CD2-SD 4.39Å; F649-M661 HydrophobicContact CE2-CG 3.41Å; F649-M661 VanDerWaalsContact CE2-CG 3.41Å; F649-M661 HydrophobicContact CE2-SD 3.86Å; F649-M661 HydrophobicContact CZ-CG 4.07Å; A657-M661 WeakPolarHBondContact O-CG 3.44Å; A657-M661 PolarHBondContact O-N 3.4Å; A657-M661 VanDerWaalsContact O-N 3.16Å; A658-M661 PolarHBondContact O-N 3.35Å; M661-S666 WeakPolarHBondContact CA-O 3.39Å; M661-R667 PolarHBondContact O-NH1 3.2Å; M661-R667 VanDerWaalsContact O-NH1 3.14Å
662	A	83.3	Confident	86.2	Confident	10 Å²	10	61.9 Å²	61.9	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-77.3	-49.8	-176.1	0	0	0	0	0	113.5	P617 F620 L621 A658 L659	P617-A662 HydrophobicContact CB-CB 4.06Å; F620-A662 HydrophobicContact CB-CB 4.11Å; F620-A662 HydrophobicContact CD2-CB 3.98Å; F620-A662 HydrophobicContact CG-CB 4.27Å; L621-A662 WeakPolarHBondContact CD1-O 3.26Å; L621-A662 HydrophobicContact CG-CB 4.39Å; A658-A662 VanDerWaalsContact O-CB 3.26Å; A658-A662 WeakPolarHBondContact O-CB 3.49Å; A658-A662 PolarHBondContact O-N 3.26Å; L659-A662 PolarHBondContact O-N 3.11Å
663	Y	82	Confident	86.1	Confident	152 Å²	152	63.4 Å²	63.4	60%	0.596	33%	0.334	S	S	*	.	H	α-helix	trans	-99.8	-26.6	-171.2	-69.9	-83.8	0	0	0	113.7	L621 L659	L621-Y663 HydrophobicContact CD2-CD1 4Å; L621-Y663 HydrophobicContact CD2-CE1 3.74Å; L621-Y663 HydrophobicContact CD2-CE2 4.44Å; L621-Y663 HydrophobicContact CD2-CG 4.49Å; L659-Y663 HydrophobicContact CD2-CD2 3.49Å; L659-Y663 VanDerWaalsContact CD2-CD2 3.49Å; L659-Y663 HydrophobicContact CD2-CE2 3.44Å; L659-Y663 VanDerWaalsContact CD2-CE2 3.44Å; L659-Y663 WeakPolarHBondContact O-CB 3.16Å; L659-Y663 PolarHBondContact O-N 3.18Å
664	K	83.6	Confident	86.2	Confident	144 Å²	144	57.9 Å²	57.9	63%	0.626	31%	0.31	S	S	*	.	S	Bend	trans	-99.9	-7.8	177.4	-53.5	-158.5	-162.3	156.6	0	113.6	E660 S666	E660-K664 CarbonylContact O-C 3.52Å; E660-K664 WeakPolarHBondContact O-CA 3.4Å; E660-K664 WeakPolarHBondContact O-CB 3.43Å; E660-K664 PolarHBondContact O-N 2.63Å; E660-K664 VanDerWaalsContact O-N 3.12Å; E660-K664 WeakPolarHBondContact OE1-CE 3.49Å; E660-K664 IonicContact OE1-NZ 2.77Å; E660-K664 PolarHBondContact OE1-NZ 3.49Å; E660-K664 VanDerWaalsContact OE2-CD 3.26Å; E660-K664 WeakPolarHBondContact OE2-CD 3.38Å; E660-K664 IonicContact OE2-NZ 3.65Å; E660-K664 PolarHBondContact OE2-NZ 3.48Å; K664-S666 PolarHBondContact O-N 3.07Å
665	G	84.4	Confident	86.4	Confident	31 Å²	31	56.5 Å²	56.5	32%	0.32	30%	0.302	S	S	.	.			trans	67.3	9.1	-175.2	0	0	0	0	0	113.4	E660 R667	E660-G665 PolarHBondContact O-N 2.94Å; G665-R667 PolarHBondContact O-NH1 3.32Å
666	S	88.5	Confident	86.7	Confident	37 Å²	37	61.9 Å²	61.9	26%	0.259	32%	0.318	S	S	.	.			trans	-60.5	146.8	-178.4	-59.1	0	0	0	0	110.5	E660 M661 K664	E660-S666 PolarHBondContact O-N 3.18Å; E660-S666 PolarHBondContact OE2-OG 2.89Å; M661-S666 WeakPolarHBondContact CA-O 3.39Å; K664-S666 PolarHBondContact O-N 3.07Å
667	R	91.2	Very high	86.8	Confident	59 Å²	59	62.9 Å²	62.9	22%	0.223	32%	0.321	C	S	.	.			trans	-129.8	151.4	170.8	-62.1	-64.8	179.9	-95	0.1	109.5	M661 G665 W686	M661-R667 PolarHBondContact O-NH1 3.2Å; M661-R667 VanDerWaalsContact O-NH1 3.14Å; G665-R667 PolarHBondContact O-NH1 3.32Å; R667-W686 HydrophobicContact CB-CE3 3.8Å; R667-W686 HydrophobicContact CB-CZ3 4.07Å; R667-W686 HydrophobicContact CG-CE3 4.06Å; R667-W686 PolarHBondContact NE-O 3.36Å; R667-W686 PolarHBondContact NH2-O 3.22Å
668	P	91	Very high	87	Confident	10 Å²	10	63 Å²	63	7%	0.065	32%	0.322	C	S	.	.			trans	-55.6	142.9	170.3	-23	33.9	0	0	0	111.1	L637 W640 P648 F649 L670 W686	L637-P668 HydrophobicContact CD2-CG 3.78Å; W640-P668 HydrophobicContact CD2-CB 3.73Å; W640-P668 HydrophobicContact CD2-CG 4.42Å; W640-P668 HydrophobicContact CE3-CB 4.21Å; W640-P668 HydrophobicContact CG-CB 4.28Å; W640-P668 HydrophobicContact CH2-CB 4.02Å; W640-P668 HydrophobicContact CZ2-CB 3.49Å; W640-P668 VanDerWaalsContact CZ2-CB 3.49Å; W640-P668 HydrophobicContact CZ3-CB 4.33Å; P648-P668 HydrophobicContact CB-CG 3.93Å; F649-P668 HydrophobicContact CD2-CG 4.27Å; F649-P668 HydrophobicContact CE2-CG 3.85Å; P668-L670 PolarHBondContact O-N 3.08Å; P668-W686 HydrophobicContact CB-CH2 3.95Å; P668-W686 HydrophobicContact CB-CZ3 4.36Å; P668-W686 HydrophobicContact CG-CH2 3.82Å; P668-W686 HydrophobicContact CG-CZ2 4.33Å; P668-W686 HydrophobicContact CG-CZ3 4.36Å
669	S	90.1	Very high	87.3	Confident	91 Å²	91	64.9 Å²	64.9	64%	0.636	33%	0.331	S	S	*	.			trans	-67.1	133.7	-178	54.4	0	0	0	0	110.9	W640 A671	W640-S669 PolarHBondContact NE1-O 3.25Å; S669-A671 PolarHBondContact O-N 3.45Å
670	L	89.5	Confident	87.6	Confident	52 Å²	52	62.1 Å²	62.1	27%	0.272	32%	0.321	S	S	.	.			trans	-76.9	96.2	174.4	-62.7	174.3	0	0	0	108.7	P668 I674 Q679 I682 Q683 W686	P668-L670 PolarHBondContact O-N 3.08Å; L670-I674 HydrophobicContact CD2-CD1 4.12Å; L670-Q679 HydrophobicContact CB-CG 4.41Å; L670-Q679 HydrophobicContact CD1-CB 4.34Å; L670-I682 HydrophobicContact CD2-CB 4.29Å; L670-I682 HydrophobicContact CD2-CD1 4.31Å; L670-I682 HydrophobicContact CD2-CG2 3.76Å; L670-Q683 HydrophobicContact CD1-CG 3.52Å; L670-Q683 VanDerWaalsContact CD1-NE2 3.32Å; L670-W686 HydrophobicContact CD2-CZ3 4.11Å
671	A	79.1	Confident	87.8	Confident	31 Å²	31	60.6 Å²	60.6	26%	0.256	31%	0.314	S	S	.	.			trans	-68.4	151.9	-180	0	0	0	0	0	111.5	V644 S669 C673 I674	V644-A671 HydrophobicContact CG2-CB 4.14Å; S669-A671 PolarHBondContact O-N 3.45Å; A671-C673 PolarHBondContact O-N 2.9Å; A671-I674 PolarHBondContact O-N 3.2Å
672	R	80.5	Confident	88	Confident	251 Å²	251	60.5 Å²	60.5	95%	0.947	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.1	178	-66.5	-176.9	-179.9	173.8	0.8	114	I674	R672-I674 VanDerWaalsContact C-N 3.28Å
673	C	85.5	Confident	88.4	Confident	72 Å²	72	65.1 Å²	65.1	49%	0.486	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.4	176.3	63.8	0	0	0	0	113.9	A671	A671-C673 PolarHBondContact O-N 2.9Å
674	I	90	Very high	88.6	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.315	C	S	.	.	S	Bend	trans	-86.5	122.4	175.3	-48.6	178	0	0	0	107.7	W640 H643 V644 L670 A671 R672 V678 Q679 I682	W640-I674 HydrophobicContact CG-CD1 4.44Å; H643-I674 HydrophobicContact CB-CB 4.44Å; H643-I674 HydrophobicContact CB-CG1 3.79Å; H643-I674 HydrophobicContact CB-CG2 4.48Å; V644-I674 HydrophobicContact CG2-CD1 3.96Å; V644-I674 HydrophobicContact CG2-CG1 4.22Å; L670-I674 HydrophobicContact CD2-CD1 4.12Å; A671-I674 PolarHBondContact O-N 3.2Å; R672-I674 VanDerWaalsContact C-N 3.28Å; I674-V678 HydrophobicContact CG2-CB 3.89Å; I674-V678 HydrophobicContact CG2-CG1 3.77Å; I674-Q679 HydrophobicContact CB-CG 3.74Å; I674-Q679 HydrophobicContact CG2-CG 3.6Å; I674-Q679 PolarHBondContact O-NE2 3.31Å; I674-I682 HydrophobicContact CD1-CD1 4.3Å; I674-I682 HydrophobicContact CG2-CD1 4.1Å
675	P	90.1	Very high	88.9	Confident	25 Å²	25	53.6 Å²	53.6	16%	0.162	29%	0.29	C	S	.	.			trans	-61.4	145.8	177.2	-21.3	31.5	0	0	0	112.5	L546 V678 Q679 F706	L546-P675 HydrophobicContact CD1-CG 3.71Å; L546-P675 HydrophobicContact CD2-CG 4.35Å; P675-V678 HydrophobicContact CB-CG2 4.27Å; P675-V678 HydrophobicContact CG-CG2 4.31Å; P675-V678 WeakPolarHBondContact O-CA 3.37Å; P675-V678 WeakPolarHBondContact O-CB 3.38Å; P675-V678 PolarHBondContact O-N 3.31Å; P675-Q679 PolarHBondContact O-N 3.45Å; P675-F706 HydrophobicContact CB-CE1 3.6Å; P675-F706 HydrophobicContact CB-CZ 3.43Å; P675-F706 VanDerWaalsContact CB-CZ 3.43Å; P675-F706 HydrophobicContact CG-CE1 3.91Å; P675-F706 HydrophobicContact CG-CZ 4.04Å
676	E	89.3	Confident	89.2	Confident	163 Å²	163	52.9 Å²	52.9	76%	0.762	28%	0.277	S	S	*	.	H	α-helix	trans	-52.8	-42.4	-176.1	-65.8	-179.1	172.1	0	0	114.3	V678 Q679 A680	E676-V678 VanDerWaalsContact C-N 3.29Å; E676-V678 PolarHBondContact O-N 3.49Å; E676-Q679 WeakPolarHBondContact O-CB 3.4Å; E676-Q679 PolarHBondContact O-N 3.37Å; E676-A680 PolarHBondContact O-N 3.28Å
677	P	90.1	Very high	88.7	Confident	57 Å²	57	55.8 Å²	55.8	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-35.7	176.5	-26.2	38.9	0	0	0	112.9	A680 I681 F706	P677-A680 PolarHBondContact O-N 3.27Å; P677-I681 WeakPolarHBondContact O-CG1 3.45Å; P677-I681 PolarHBondContact O-N 2.94Å; P677-I681 VanDerWaalsContact O-N 3.16Å; P677-F706 HydrophobicContact CB-CB 4.4Å; P677-F706 HydrophobicContact CB-CD1 4.22Å; P677-F706 HydrophobicContact CB-CD2 3.95Å; P677-F706 HydrophobicContact CB-CE2 4.28Å; P677-F706 HydrophobicContact CB-CG 3.92Å; P677-F706 HydrophobicContact CG-CD2 3.65Å; P677-F706 HydrophobicContact CG-CE2 3.64Å; P677-F706 HydrophobicContact CG-CG 4.15Å; P677-F706 HydrophobicContact CG-CZ 4.1Å
678	V	92.6	Very high	87.6	Confident	2 Å²	2	61 Å²	61	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-72.1	-38.6	176.7	-177.3	0	0	0	0	110.7	L550 V639 I674 P675 E676 A680 I681 I682 F706	L550-V678 HydrophobicContact CD2-CG2 3.6Å; V639-V678 HydrophobicContact CG1-CG1 3.45Å; V639-V678 VanDerWaalsContact CG1-CG1 3.45Å; I674-V678 HydrophobicContact CG2-CB 3.89Å; I674-V678 HydrophobicContact CG2-CG1 3.77Å; P675-V678 HydrophobicContact CB-CG2 4.27Å; P675-V678 HydrophobicContact CG-CG2 4.31Å; P675-V678 WeakPolarHBondContact O-CA 3.37Å; P675-V678 WeakPolarHBondContact O-CB 3.38Å; P675-V678 PolarHBondContact O-N 3.31Å; E676-V678 VanDerWaalsContact C-N 3.29Å; E676-V678 PolarHBondContact O-N 3.49Å; V678-A680 VanDerWaalsContact C-N 3.3Å; V678-A680 PolarHBondContact O-N 3Å; V678-I681 PolarHBondContact O-N 3.31Å; V678-I682 HydrophobicContact CG1-CD1 4.13Å; V678-I682 WeakPolarHBondContact O-CG1 3.45Å; V678-I682 PolarHBondContact O-N 2.96Å; V678-F706 HydrophobicContact CG2-CD1 3.88Å; V678-F706 HydrophobicContact CG2-CE1 3.76Å
679	Q	92.9	Very high	86.6	Confident	42 Å²	42	64.8 Å²	64.8	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-43	172.4	-66.9	-172.7	34.3	0	0	111.3	L670 I674 P675 E676 I681 I682 Q683	L670-Q679 HydrophobicContact CB-CG 4.41Å; L670-Q679 HydrophobicContact CD1-CB 4.34Å; I674-Q679 HydrophobicContact CB-CG 3.74Å; I674-Q679 HydrophobicContact CG2-CG 3.6Å; I674-Q679 PolarHBondContact O-NE2 3.31Å; P675-Q679 PolarHBondContact O-N 3.45Å; E676-Q679 WeakPolarHBondContact O-CB 3.4Å; E676-Q679 PolarHBondContact O-N 3.37Å; Q679-I681 PolarHBondContact O-N 3.14Å; Q679-I682 PolarHBondContact O-N 3.4Å; Q679-Q683 WeakPolarHBondContact O-CB 3.35Å; Q679-Q683 VanDerWaalsContact O-CG 3.29Å; Q679-Q683 WeakPolarHBondContact O-CG 3.36Å; Q679-Q683 PolarHBondContact O-N 2.95Å
680	A	90.4	Very high	85.4	Confident	34 Å²	34	61.5 Å²	61.5	28%	0.281	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-41.9	177.3	0	0	0	0	0	112.1	E676 P677 V678 Q683 Q684	E676-A680 PolarHBondContact O-N 3.28Å; P677-A680 PolarHBondContact O-N 3.27Å; V678-A680 VanDerWaalsContact C-N 3.3Å; V678-A680 PolarHBondContact O-N 3Å; A680-Q683 PolarHBondContact O-N 3.32Å; A680-Q684 WeakPolarHBondContact O-CB 3.36Å; A680-Q684 VanDerWaalsContact O-CG 3.29Å; A680-Q684 WeakPolarHBondContact O-CG 3.05Å; A680-Q684 PolarHBondContact O-N 3.31Å
681	I	91.1	Very high	84.3	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-47.6	174.2	-68	167.8	0	0	0	110.7	Y635 P677 V678 Q679 Q683 Q684 A685 I699 E702 M703	Y635-I681 HydrophobicContact CE1-CG2 4.23Å; P677-I681 WeakPolarHBondContact O-CG1 3.45Å; P677-I681 PolarHBondContact O-N 2.94Å; P677-I681 VanDerWaalsContact O-N 3.16Å; V678-I681 PolarHBondContact O-N 3.31Å; Q679-I681 PolarHBondContact O-N 3.14Å; I681-Q683 VanDerWaalsContact C-N 3.34Å; I681-Q683 PolarHBondContact O-N 3.19Å; I681-Q684 PolarHBondContact O-N 3.49Å; I681-A685 WeakPolarHBondContact O-CB 3.44Å; I681-A685 PolarHBondContact O-N 3.47Å; I681-I699 HydrophobicContact CG2-CG1 4.33Å; I681-I699 HydrophobicContact CG2-CG2 4.04Å; I681-E702 HydrophobicContact CD1-CB 3.91Å; I681-E702 HydrophobicContact CG1-CB 4.23Å; I681-E702 WeakPolarHBondContact CG1-OE2 3.45Å; I681-M703 HydrophobicContact CD1-CG 3.63Å
682	I	92.9	Very high	83.3	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-46.1	178.5	-69.4	168.5	0	0	0	110.6	A636 V639 W640 L670 I674 V678 Q679 Q684 A685 W686	A636-I682 HydrophobicContact CB-CG1 4.41Å; A636-I682 HydrophobicContact CB-CG2 4.44Å; V639-I682 HydrophobicContact CG1-CD1 4.25Å; V639-I682 HydrophobicContact CG1-CG1 4.41Å; W640-I682 HydrophobicContact CB-CD1 4.14Å; L670-I682 HydrophobicContact CD2-CB 4.29Å; L670-I682 HydrophobicContact CD2-CD1 4.31Å; L670-I682 HydrophobicContact CD2-CG2 3.76Å; I674-I682 HydrophobicContact CD1-CD1 4.3Å; I674-I682 HydrophobicContact CG2-CD1 4.1Å; V678-I682 HydrophobicContact CG1-CD1 4.13Å; V678-I682 WeakPolarHBondContact O-CG1 3.45Å; V678-I682 PolarHBondContact O-N 2.96Å; Q679-I682 PolarHBondContact O-N 3.4Å; I682-Q684 PolarHBondContact O-N 3.01Å; I682-A685 PolarHBondContact O-N 2.9Å; I682-W686 HydrophobicContact CG2-CD2 3.55Å; I682-W686 HydrophobicContact CG2-CE3 3.38Å; I682-W686 HydrophobicContact CG2-CG 4.36Å; I682-W686 HydrophobicContact CG2-CH2 3.44Å; I682-W686 VanDerWaalsContact CG2-CH2 3.44Å; I682-W686 HydrophobicContact CG2-CZ2 3.59Å; I682-W686 HydrophobicContact CG2-CZ3 3.34Å; I682-W686 WeakPolarHBondContact O-CB 3.4Å; I682-W686 PolarHBondContact O-N 3.36Å
683	Q	90.7	Very high	82	Confident	106 Å²	106	57.1 Å²	57.1	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-40.2	178.5	-72.6	174.5	-32.4	0	0	112.6	L670 Q679 A680 I681 A685 W686	L670-Q683 HydrophobicContact CD1-CG 3.52Å; L670-Q683 VanDerWaalsContact CD1-NE2 3.32Å; Q679-Q683 WeakPolarHBondContact O-CB 3.35Å; Q679-Q683 VanDerWaalsContact O-CG 3.29Å; Q679-Q683 WeakPolarHBondContact O-CG 3.36Å; Q679-Q683 PolarHBondContact O-N 2.95Å; A680-Q683 PolarHBondContact O-N 3.32Å; I681-Q683 VanDerWaalsContact C-N 3.34Å; I681-Q683 PolarHBondContact O-N 3.19Å; Q683-A685 VanDerWaalsContact C-N 3.3Å; Q683-A685 PolarHBondContact O-N 3.49Å; Q683-W686 PolarHBondContact O-N 2.97Å
684	Q	87.6	Confident	80.5	Confident	42 Å²	42	61.1 Å²	61.1	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-32.6	175.7	-72.6	-179.1	55.5	0	0	112.6	A680 I681 I682 Q687 S693 L695	A680-Q684 WeakPolarHBondContact O-CB 3.36Å; A680-Q684 VanDerWaalsContact O-CG 3.29Å; A680-Q684 WeakPolarHBondContact O-CG 3.05Å; A680-Q684 PolarHBondContact O-N 3.31Å; I681-Q684 PolarHBondContact O-N 3.49Å; I682-Q684 PolarHBondContact O-N 3.01Å; Q684-Q687 WeakPolarHBondContact O-CG 3.21Å; Q684-S693 PolarHBondContact O-OG 2.97Å; Q684-L695 HydrophobicContact CB-CD2 3.74Å
685	A	89.4	Confident	79.1	Confident	13 Å²	13	62.7 Å²	62.7	11%	0.107	33%	0.332	C	S	.	.	H	α-helix	trans	-78.1	-27.2	176.7	0	0	0	0	0	113.6	V632 A636 I681 I682 Q683	V632-A685 HydrophobicContact CG1-CB 3.75Å; A636-A685 HydrophobicContact CB-CB 3.47Å; A636-A685 VanDerWaalsContact CB-CB 3.47Å; I681-A685 WeakPolarHBondContact O-CB 3.44Å; I681-A685 PolarHBondContact O-N 3.47Å; I682-A685 PolarHBondContact O-N 2.9Å; Q683-A685 VanDerWaalsContact C-N 3.3Å; Q683-A685 PolarHBondContact O-N 3.49Å
686	W	89.7	Confident	77.1	Confident	15 Å²	15	65.9 Å²	65.9	6%	0.057	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	13.8	-177.3	-74.6	-6.6	0	0	0	115.6	F633 L637 W640 R667 P668 L670 I682 Q683	F633-W686 AromaticContact CD2-CD1 3.45Å; F633-W686 VanDerWaalsContact CD2-CD1 3.45Å; F633-W686 HydrophobicContact CD2-CG 4.25Å; F633-W686 HydrophobicContact CE2-CB 4.14Å; F633-W686 AromaticContact CE2-CD1 3.41Å; F633-W686 VanDerWaalsContact CE2-CD1 3.41Å; F633-W686 AromaticContact CE2-CG 3.9Å; F633-W686 HydrophobicContact CE2-CG 3.9Å; F633-W686 AromaticContact CG-CD1 3.92Å; F633-W686 AromaticContact CZ-CD1 3.88Å; F633-W686 HydrophobicContact CZ-CG 4.43Å; F633-W686 PolarHBondContact O-NE1 3.03Å; L637-W686 HydrophobicContact CD2-CH2 4.18Å; L637-W686 HydrophobicContact CD2-CZ2 3.36Å; L637-W686 HydrophobicContact CG-CZ2 3.91Å; W640-W686 HydrophobicContact CB-CH2 3.89Å; W640-W686 HydrophobicContact CB-CZ2 4.02Å; W640-W686 AromaticContact CD1-CH2 3.64Å; W640-W686 AromaticContact CG-CH2 3.76Å; W640-W686 HydrophobicContact CG-CH2 3.76Å; W640-W686 HydrophobicContact CG-CZ2 4.35Å; R667-W686 HydrophobicContact CB-CE3 3.8Å; R667-W686 HydrophobicContact CB-CZ3 4.07Å; R667-W686 HydrophobicContact CG-CE3 4.06Å; R667-W686 PolarHBondContact NE-O 3.36Å; R667-W686 PolarHBondContact NH2-O 3.22Å; P668-W686 HydrophobicContact CB-CH2 3.95Å; P668-W686 HydrophobicContact CB-CZ3 4.36Å; P668-W686 HydrophobicContact CG-CH2 3.82Å; P668-W686 HydrophobicContact CG-CZ2 4.33Å; P668-W686 HydrophobicContact CG-CZ3 4.36Å; L670-W686 HydrophobicContact CD2-CZ3 4.11Å; I682-W686 HydrophobicContact CG2-CD2 3.55Å; I682-W686 HydrophobicContact CG2-CE3 3.38Å; I682-W686 HydrophobicContact CG2-CG 4.36Å; I682-W686 HydrophobicContact CG2-CH2 3.44Å; I682-W686 VanDerWaalsContact CG2-CH2 3.44Å; I682-W686 HydrophobicContact CG2-CZ2 3.59Å; I682-W686 HydrophobicContact CG2-CZ3 3.34Å; I682-W686 WeakPolarHBondContact O-CB 3.4Å; I682-W686 PolarHBondContact O-N 3.36Å; Q683-W686 PolarHBondContact O-N 2.97Å
687	Q	78.5	Confident	75.8	Confident	98 Å²	98	64.6 Å²	64.6	46%	0.458	34%	0.343	S	S	.	.			trans	-53.1	139.3	177.9	-68.5	-74.8	-11.5	0	0	111.9	Q684 N689	Q684-Q687 WeakPolarHBondContact O-CG 3.21Å; Q687-N689 PolarHBondContact O-N 3.38Å
688	E	68.3	Low	75.4	Confident	168 Å²	168	65.2 Å²	65.2	79%	0.785	35%	0.347	S	S	*	.	S	Bend	trans	-63.8	-29.9	-179.4	-71.2	-174.3	165.3	0	0	113.2
689	N	70.1	Confident	75.2	Confident	90 Å²	90	66 Å²	66	48%	0.481	35%	0.351	S	S	.	.			trans	-115.5	99.1	174.9	-174.8	-5.9	0	0	0	109.8	Q687 E691 A692	Q687-N689 PolarHBondContact O-N 3.38Å; N689-E691 PolarHBondContact O-N 3.38Å; N689-E691 PolarHBondContact OD1-N 3.29Å; N689-A692 HydrophobicContact CB-CB 3.86Å; N689-A692 PolarHBondContact O-N 3.36Å; N689-A692 VanDerWaalsContact O-N 3.08Å; N689-A692 PolarHBondContact OD1-N 3.39Å
690	P	65.5	Low	75.1	Confident	23 Å²	23	64.9 Å²	64.9	15%	0.149	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.4	-177.9	-19.1	28.1	0	0	0	113.6	E618 K629 S693	E618-P690 HydrophobicContact CB-CG 4.49Å; E618-P690 HydrophobicContact CG-CG 4.1Å; E618-P690 WeakPolarHBondContact OE1-CG 3.4Å; K629-P690 HydrophobicContact CB-CB 3.76Å; K629-P690 HydrophobicContact CG-CB 4.11Å; P690-S693 PolarHBondContact O-N 2.69Å
691	E	66.2	Low	75.1	Confident	148 Å²	148	66 Å²	66	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24	179.1	-63.8	-61.4	148.5	0	0	112.5	N689 S693	N689-E691 PolarHBondContact O-N 3.38Å; N689-E691 PolarHBondContact OD1-N 3.29Å; E691-S693 VanDerWaalsContact C-N 3.28Å
692	A	57.4	Low	74.9	Confident	74 Å²	74	67.4 Å²	67.4	61%	0.612	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.1	174.8	0	0	0	0	0	112.5	N689 I694	N689-A692 HydrophobicContact CB-CB 3.86Å; N689-A692 PolarHBondContact O-N 3.36Å; N689-A692 VanDerWaalsContact O-N 3.08Å; N689-A692 PolarHBondContact OD1-N 3.39Å; A692-I694 PolarHBondContact O-N 3.15Å
693	S	53.6	Low	74.7	Confident	20 Å²	20	67.5 Å²	67.5	14%	0.14	36%	0.357	C	S	.	.			trans	-92.6	93.5	-176.5	-175.6	0	0	0	0	111	K629 Q684 P690 E691 L695	K629-S693 PolarHBondContact NZ-O 3.2Å; Q684-S693 PolarHBondContact O-OG 2.97Å; P690-S693 PolarHBondContact O-N 2.69Å; E691-S693 VanDerWaalsContact C-N 3.28Å; S693-L695 PolarHBondContact O-N 3.34Å
694	I	54.6	Low	74.8	Confident	155 Å²	155	64.1 Å²	64.1	80%	0.795	35%	0.345	S	S	*	.			trans	-76	104.8	151.6	-55.6	173.4	0	0	0	104.7	A692 S696	A692-I694 PolarHBondContact O-N 3.15Å; I694-S696 PolarHBondContact O-N 3.03Å
695	L	59.3	Low	74.8	Confident	36 Å²	36	66.7 Å²	66.7	19%	0.188	36%	0.357	C	S	.	.			trans	-48.7	116.2	166.9	-74.5	159.6	0	0	0	106.7	V632 Q684 S693 R697 I699	V632-L695 HydrophobicContact CG1-CD1 4.35Å; Q684-L695 HydrophobicContact CB-CD2 3.74Å; S693-L695 PolarHBondContact O-N 3.34Å; L695-R697 PolarHBondContact O-N 3.25Å; L695-I699 HydrophobicContact CD1-CD1 3.68Å; L695-I699 HydrophobicContact CD1-CG1 3.89Å; L695-I699 HydrophobicContact CD2-CD1 4.21Å; L695-I699 HydrophobicContact CD2-CG1 4.08Å
696	S	48.5	Very low	74.7	Confident	91 Å²	91	67.6 Å²	67.6	64%	0.636	36%	0.359	S	S	*	.	S	Bend	trans	-61.4	-25.8	-166.5	72.2	0	0	0	0	112	I694	I694-S696 PolarHBondContact O-N 3.03Å
697	R	62.7	Low	74.6	Confident	136 Å²	136	68 Å²	68	51%	0.513	36%	0.363	S	S	.	.	S	Bend	trans	-138.4	156.9	166.4	-60.7	177.3	171.7	179.9	-0.8	109.6	L695 I699 E702	L695-R697 PolarHBondContact O-N 3.25Å; R697-I699 PolarHBondContact O-N 3.34Å; R697-E702 HydrophobicContact CB-CG 3.79Å; R697-E702 WeakPolarHBondContact CB-OE1 3.32Å
698	P	81.9	Confident	75	Confident	70 Å²	70	67.6 Å²	67.6	46%	0.455	36%	0.364	S	S	.	.			trans	-58.6	133.6	173	-21.4	32.8	0	0	0	111	V700 T701 E702	P698-V700 PolarHBondContact O-N 2.87Å; P698-V700 VanDerWaalsContact O-N 3.16Å; P698-T701 WeakPolarHBondContact O-CA 3.42Å; P698-T701 WeakPolarHBondContact O-CB 3.46Å; P698-T701 PolarHBondContact O-N 3.23Å; P698-E702 PolarHBondContact O-N 3.37Å; P698-E702 VanDerWaalsContact O-N 3.17Å
699	I	87.7	Confident	75.7	Confident	20 Å²	20	61.8 Å²	61.8	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-52	-41	-178	-70.8	168.4	0	0	0	111.7	A557 V632 Y635 I681 L695 R697 T701 E702 M703	A557-I699 HydrophobicContact CB-CG2 4.01Å; V632-I699 HydrophobicContact CG1-CD1 3.65Å; V632-I699 HydrophobicContact CG2-CD1 4.49Å; Y635-I699 HydrophobicContact CD1-CD1 4.3Å; Y635-I699 HydrophobicContact CE1-CD1 4.18Å; Y635-I699 HydrophobicContact CE1-CG2 3.58Å; Y635-I699 WeakPolarHBondContact OH-CG2 3.26Å; I681-I699 HydrophobicContact CG2-CG1 4.33Å; I681-I699 HydrophobicContact CG2-CG2 4.04Å; L695-I699 HydrophobicContact CD1-CD1 3.68Å; L695-I699 HydrophobicContact CD1-CG1 3.89Å; L695-I699 HydrophobicContact CD2-CD1 4.21Å; L695-I699 HydrophobicContact CD2-CG1 4.08Å; R697-I699 PolarHBondContact O-N 3.34Å; I699-T701 VanDerWaalsContact C-N 3.29Å; I699-T701 PolarHBondContact O-N 3.08Å; I699-E702 PolarHBondContact O-N 3.49Å; I699-M703 HydrophobicContact CG2-CG 4.35Å; I699-M703 WeakPolarHBondContact O-CB 3.42Å; I699-M703 PolarHBondContact O-N 2.98Å
700	V	90.4	Very high	76	Confident	18 Å²	18	59.2 Å²	59.2	11%	0.109	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-39.3	177.8	176	0	0	0	0	111.4	L554 A557 K558 E561 P698 S704	L554-V700 HydrophobicContact CD1-CG1 4.24Å; A557-V700 HydrophobicContact CB-CG2 3.82Å; A557-V700 WeakPolarHBondContact O-CG2 3.37Å; K558-V700 HydrophobicContact CG-CG1 3.87Å; K558-V700 HydrophobicContact CG-CG2 4.36Å; E561-V700 HydrophobicContact CB-CG2 3.82Å; E561-V700 HydrophobicContact CG-CG2 4.33Å; P698-V700 PolarHBondContact O-N 2.87Å; P698-V700 VanDerWaalsContact O-N 3.16Å; V700-S704 WeakPolarHBondContact O-CB 3.49Å; V700-S704 PolarHBondContact O-N 3.27Å
701	T	90.1	Very high	76	Confident	57 Å²	57	60.9 Å²	60.9	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-45.3	177.9	-58.1	0	0	0	0	111	P698 I699 Q705	P698-T701 WeakPolarHBondContact O-CA 3.42Å; P698-T701 WeakPolarHBondContact O-CB 3.46Å; P698-T701 PolarHBondContact O-N 3.23Å; I699-T701 VanDerWaalsContact C-N 3.29Å; I699-T701 PolarHBondContact O-N 3.08Å; T701-Q705 WeakPolarHBondContact O-CB 3.39Å; T701-Q705 VanDerWaalsContact O-CG 3.25Å; T701-Q705 WeakPolarHBondContact O-CG 2.98Å; T701-Q705 PolarHBondContact O-N 2.99Å
702	E	87.8	Confident	75.6	Confident	34 Å²	34	59.8 Å²	59.8	16%	0.159	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-46.2	178.9	-64.7	-168.7	177.7	0	0	111.9	I681 R697 P698 I699 F706	I681-E702 HydrophobicContact CD1-CB 3.91Å; I681-E702 HydrophobicContact CG1-CB 4.23Å; I681-E702 WeakPolarHBondContact CG1-OE2 3.45Å; R697-E702 HydrophobicContact CB-CG 3.79Å; R697-E702 WeakPolarHBondContact CB-OE1 3.32Å; P698-E702 PolarHBondContact O-N 3.37Å; P698-E702 VanDerWaalsContact O-N 3.17Å; I699-E702 PolarHBondContact O-N 3.49Å; E702-F706 PolarHBondContact O-N 3.37Å; E702-F706 VanDerWaalsContact O-N 3.1Å
703	M	89.7	Confident	75.3	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-43.9	176	-78.9	-154.5	83.4	0	0	112.6	L550 G553 L554 A557 Y635 I681 I699 F706 C707	L550-M703 WeakPolarHBondContact O-CE 3.47Å; G553-M703 VanDerWaalsContact C-CE 3.48Å; L554-M703 HydrophobicContact CB-CB 4.47Å; L554-M703 HydrophobicContact CB-CE 4.16Å; L554-M703 HydrophobicContact CB-SD 4.27Å; L554-M703 HydrophobicContact CD1-CB 3.75Å; L554-M703 VanDerWaalsContact N-CE 3.31Å; L554-M703 PolarHBondContact N-SD 2.97Å; A557-M703 HydrophobicContact CB-SD 4.22Å; Y635-M703 PolarHBondContact OH-SD 3.18Å; I681-M703 HydrophobicContact CD1-CG 3.63Å; I699-M703 HydrophobicContact CG2-CG 4.35Å; I699-M703 WeakPolarHBondContact O-CB 3.42Å; I699-M703 PolarHBondContact O-N 2.98Å; M703-F706 PolarHBondContact O-N 3.46Å; M703-C707 WeakPolarHBondContact O-CB 3.44Å; M703-C707 PolarHBondContact O-N 3.49Å; M703-C707 PolarHBondContact O-SG 2.81Å
704	S	91.4	Very high	74.8	Confident	35 Å²	35	66.7 Å²	66.7	25%	0.245	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-46.9	-179.8	-165.2	0	0	0	0	110.8	V700 F706 C707 D708	V700-S704 WeakPolarHBondContact O-CB 3.49Å; V700-S704 PolarHBondContact O-N 3.27Å; S704-F706 PolarHBondContact O-N 3.1Å; S704-C707 PolarHBondContact O-N 3.2Å; S704-D708 WeakPolarHBondContact O-CB 3.43Å; S704-D708 PolarHBondContact O-N 3.27Å; S704-D708 VanDerWaalsContact O-OD2 3.14Å
705	Q	88.4	Confident	74.1	Confident	96 Å²	96	66.4 Å²	66.4	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-56.2	-39.1	175.6	-75.2	174.6	-0.6	0	0	111.8	T701 S709	T701-Q705 WeakPolarHBondContact O-CB 3.39Å; T701-Q705 VanDerWaalsContact O-CG 3.25Å; T701-Q705 WeakPolarHBondContact O-CG 2.98Å; T701-Q705 PolarHBondContact O-N 2.99Å; Q705-S709 WeakPolarHBondContact O-CB 3.04Å; Q705-S709 PolarHBondContact O-N 3.44Å
706	F	87.6	Confident	72.8	Confident	32 Å²	32	70.6 Å²	70.6	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-72.6	-42.5	178.1	-173.8	-127.2	0	0	0	113	L550 P675 P677 V678 E702 M703 S704 D708 S709 I710	L550-F706 HydrophobicContact CD1-CD1 4.06Å; L550-F706 HydrophobicContact CD1-CE1 3.8Å; L550-F706 HydrophobicContact CD2-CD1 3.87Å; L550-F706 HydrophobicContact CD2-CE1 3.78Å; L550-F706 HydrophobicContact CG-CE1 4.47Å; P675-F706 HydrophobicContact CB-CE1 3.6Å; P675-F706 HydrophobicContact CB-CZ 3.43Å; P675-F706 VanDerWaalsContact CB-CZ 3.43Å; P675-F706 HydrophobicContact CG-CE1 3.91Å; P675-F706 HydrophobicContact CG-CZ 4.04Å; P677-F706 HydrophobicContact CB-CB 4.4Å; P677-F706 HydrophobicContact CB-CD1 4.22Å; P677-F706 HydrophobicContact CB-CD2 3.95Å; P677-F706 HydrophobicContact CB-CE2 4.28Å; P677-F706 HydrophobicContact CB-CG 3.92Å; P677-F706 HydrophobicContact CG-CD2 3.65Å; P677-F706 HydrophobicContact CG-CE2 3.64Å; P677-F706 HydrophobicContact CG-CG 4.15Å; P677-F706 HydrophobicContact CG-CZ 4.1Å; V678-F706 HydrophobicContact CG2-CD1 3.88Å; V678-F706 HydrophobicContact CG2-CE1 3.76Å; E702-F706 PolarHBondContact O-N 3.37Å; E702-F706 VanDerWaalsContact O-N 3.1Å; M703-F706 PolarHBondContact O-N 3.46Å; S704-F706 PolarHBondContact O-N 3.1Å; F706-D708 VanDerWaalsContact C-N 3.34Å; F706-D708 PolarHBondContact O-N 3.39Å; F706-S709 PolarHBondContact O-N 3.28Å; F706-S709 PolarHBondContact O-OG 2.79Å; F706-I710 HydrophobicContact CD1-CD1 4.25Å; F706-I710 HydrophobicContact CD2-CD1 4.35Å; F706-I710 HydrophobicContact CE1-CD1 3.68Å; F706-I710 HydrophobicContact CE2-CD1 3.78Å; F706-I710 HydrophobicContact CE2-CG1 4.23Å; F706-I710 HydrophobicContact CZ-CD1 3.41Å; F706-I710 VanDerWaalsContact CZ-CD1 3.41Å; F706-I710 HydrophobicContact CZ-CG1 4.32Å; F706-I710 PolarHBondContact O-N 3.02Å
707	C	87.7	Confident	71.8	Confident	23 Å²	23	77 Å²	77	16%	0.155	40%	0.401	C	S	.	.	H	α-helix	trans	-57.4	-46.7	173	-69.5	0	0	0	0	111.5	L554 M703 S704 S709 I710 A711	L554-C707 HydrophobicContact CD2-CB 4.32Å; M703-C707 WeakPolarHBondContact O-CB 3.44Å; M703-C707 PolarHBondContact O-N 3.49Å; M703-C707 PolarHBondContact O-SG 2.81Å; S704-C707 PolarHBondContact O-N 3.2Å; C707-S709 VanDerWaalsContact C-N 3.32Å; C707-S709 PolarHBondContact O-N 3.17Å; C707-I710 PolarHBondContact O-N 3.18Å; C707-I710 VanDerWaalsContact O-N 3.17Å; C707-A711 PolarHBondContact O-N 2.82Å
708	D	86.4	Confident	70	Confident	90 Å²	90	76 Å²	76	48%	0.481	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-41.4	179	-62.1	-23.8	0	0	0	110.5	S704 F706 I710 A711 D712	S704-D708 WeakPolarHBondContact O-CB 3.43Å; S704-D708 PolarHBondContact O-N 3.27Å; S704-D708 VanDerWaalsContact O-OD2 3.14Å; F706-D708 VanDerWaalsContact C-N 3.34Å; F706-D708 PolarHBondContact O-N 3.39Å; D708-I710 PolarHBondContact O-N 2.83Å; D708-A711 PolarHBondContact O-N 2.64Å; D708-D712 PolarHBondContact O-N 3.16Å
709	S	83.1	Confident	67.4	Low	47 Å²	47	78.2 Å²	78.2	33%	0.329	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-24.4	177.6	77.7	0	0	0	0	114.5	Q705 F706 C707 N713	Q705-S709 WeakPolarHBondContact O-CB 3.04Å; Q705-S709 PolarHBondContact O-N 3.44Å; F706-S709 PolarHBondContact O-N 3.28Å; F706-S709 PolarHBondContact O-OG 2.79Å; C707-S709 VanDerWaalsContact C-N 3.32Å; C707-S709 PolarHBondContact O-N 3.17Å; S709-N713 PolarHBondContact O-ND2 3.09Å
710	I	75.3	Confident	64.5	Low	35 Å²	35	84.9 Å²	84.9	18%	0.179	46%	0.455	C	S	.	.	H	α-helix	trans	-85.7	-38.5	176.2	-71.5	168.2	0	0	0	110.6	L546 L550 F706 C707 D708 D712 N713 D714	L546-I710 HydrophobicContact CD2-CD1 4Å; L546-I710 HydrophobicContact CG-CD1 4.45Å; L550-I710 HydrophobicContact CD1-CD1 3.19Å; F706-I710 HydrophobicContact CD1-CD1 4.25Å; F706-I710 HydrophobicContact CD2-CD1 4.35Å; F706-I710 HydrophobicContact CE1-CD1 3.68Å; F706-I710 HydrophobicContact CE2-CD1 3.78Å; F706-I710 HydrophobicContact CE2-CG1 4.23Å; F706-I710 HydrophobicContact CZ-CD1 3.41Å; F706-I710 VanDerWaalsContact CZ-CD1 3.41Å; F706-I710 HydrophobicContact CZ-CG1 4.32Å; F706-I710 PolarHBondContact O-N 3.02Å; C707-I710 PolarHBondContact O-N 3.18Å; C707-I710 VanDerWaalsContact O-N 3.17Å; D708-I710 PolarHBondContact O-N 2.83Å; I710-D712 VanDerWaalsContact C-N 3.28Å; I710-D712 PolarHBondContact O-N 3.05Å; I710-N713 PolarHBondContact O-N 3.49Å; I710-D714 PolarHBondContact O-N 3.34Å; I710-D714 VanDerWaalsContact O-N 3.11Å
711	A	66	Low	61.4	Low	58 Å²	58	91.7 Å²	91.7	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-59	-40.8	174.7	0	0	0	0	0	111.6	C707 D708 N713 D714	C707-A711 PolarHBondContact O-N 2.82Å; D708-A711 PolarHBondContact O-N 2.64Å; A711-N713 PolarHBondContact O-N 3.46Å; A711-D714 PolarHBondContact O-N 3.5Å
712	D	58.4	Low	58.5	Low	125 Å²	125	97.5 Å²	97.5	67%	0.668	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-20.3	176	-76.5	-16.4	0	0	0	113.5	D708 I710	D708-D712 PolarHBondContact O-N 3.16Å; I710-D712 VanDerWaalsContact C-N 3.28Å; I710-D712 PolarHBondContact O-N 3.05Å
713	N	51.6	Low	55.5	Low	118 Å²	118	104.2 Å²	104.2	63%	0.631	55%	0.547	S	S	*	.	H	α-helix	trans	-93.1	-29.2	179.8	-78.2	-49.6	0	0	0	113.5	S709 I710 A711 N716	S709-N713 PolarHBondContact O-ND2 3.09Å; I710-N713 PolarHBondContact O-N 3.49Å; A711-N713 PolarHBondContact O-N 3.46Å; N713-N716 PolarHBondContact O-N 3.27Å
714	D	43	Very low	52.6	Low	121 Å²	121	115.7 Å²	115.7	65%	0.647	59%	0.59	S	S	*	*	H	α-helix	trans	-76.5	-23.8	-177	-127.2	0.4	0	0	0	112.7	I710 A711 N716	I710-D714 PolarHBondContact O-N 3.34Å; I710-D714 VanDerWaalsContact O-N 3.11Å; A711-D714 PolarHBondContact O-N 3.5Å; D714-N716 PolarHBondContact O-N 3.16Å
715	D	38.8	Very low	49.6	Very low	150 Å²	150	117.4 Å²	117.4	80%	0.802	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-1.6	172.6	-95.8	-16.4	0	0	0	113.5
716	N	31.8	Very low	46.9	Very low	123 Å²	123	121 Å²	121	66%	0.658	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.9	60	-176.7	-84.1	-47.8	0	0	0	113.2	N713 D714	N713-N716 PolarHBondContact O-N 3.27Å; D714-N716 PolarHBondContact O-N 3.16Å
717	R	28.5	Very low	44.1	Very low	227 Å²	227	124.6 Å²	124.6	86%	0.857	67%	0.671	S	S	*	*			trans	163.4	129.4	141	-91.2	158.2	-153.3	-157.3	8.2	112
718	P	23.5	Very low	41.5	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	70%	0.698	S	S	*	*			trans	-75.2	169.2	149.6	31.8	-23.6	0	0	0	108.7
719	V	28.1	Very low	38.7	Very low	115 Å²	115	127.8 Å²	127.8	70%	0.697	71%	0.712	S	S	*	*			trans	115.2	106.1	156.5	-176.9	0	0	0	0	116.2
720	E	26.5	Very low	36.2	Very low	161 Å²	161	135.4 Å²	135.4	75%	0.752	74%	0.739	S	S	*	*				52.5	134.1	124.7	-54.3	174.9	158.6	0	0	122.1
721	M	24.9	Very low	33.9	Very low	161 Å²	161	138.4 Å²	138.4	79%	0.793	77%	0.77	S	S	*	*			trans	70.8	119.3	139.4	-73.3	172.1	62.4	0	0	119.3
722	L	30.3	Very low	32.3	Very low	178 Å²	178	138.8 Å²	138.8	93%	0.932	78%	0.779	S	S	*	*			trans	-151.9	92.2	137.7	-100.8	160.6	0	0	0	110
723	Q	25.5	Very low	30.9	Very low	176 Å²	176	141 Å²	141	82%	0.822	79%	0.789	S	S	*	*			trans	-109.2	145.5	151.1	-84.8	-171.1	-6.7	0	0	108.1
724	R	27.9	Very low	29.9	Very low	244 Å²	244	139.4 Å²	139.4	92%	0.921	79%	0.792	S	S	*	*			trans	108.8	126.2	161.7	-62.9	-179.6	178.4	-165.5	-0.4	115.9
725	G	29.2	Very low	29.2	Very low	71 Å²	71	142.6 Å²	142.6	73%	0.732	80%	0.803	S	S	*	*			trans	157.5	79.7	142.7	0	0	0	0	0	118.5
726	N	31.5	Very low	28.7	Very low	170 Å²	170	140.9 Å²	140.9	91%	0.909	79%	0.794	S	S	*	*			trans	68.8	129.1	137.5	-78.5	-7.2	0	0	0	123.9
727	A	27.8	Very low	28.5	Very low	108 Å²	108	140 Å²	140	89%	0.893	80%	0.795	S	S	*	*			trans	-72.6	153.6	161.9	0	0	0	0	0	113
728	G	32.6	Very low	28.6	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	79%	0.79	S	S	*	*			trans	179	82.2	172.8	0	0	0	0	0	114
729	S	28.7	Very low	29	Very low	111 Å²	111	143 Å²	143	78%	0.776	80%	0.798	S	S	*	*			trans	38.6	145.9	142.9	71.6	0	0	0	0	124.9
730	F	30.7	Very low	28.9	Very low	206 Å²	206	144.5 Å²	144.5	90%	0.904	81%	0.806	S	S	*	*			trans	109	119.3	145.5	-100.5	-86.2	0	0	0	120.4
731	A	27.4	Very low	28.9	Very low	99 Å²	99	140.6 Å²	140.6	82%	0.818	81%	0.809	S	S	*	*			trans	-59.4	154	178.9	0	0	0	0	0	115.8
732	G	31.3	Very low	29.1	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	81%	0.805	S	S	*	*			trans	173.3	85.6	163.2	0	0	0	0	0	116.1
733	I	30.1	Very low	29.1	Very low	172 Å²	172	136 Å²	136	88%	0.882	80%	0.803	S	S	*	*			trans	82.5	122.2	134.9	-57.1	163.2	0	0	0	120.3
734	A	30.8	Very low	29.1	Very low	85 Å²	85	134.7 Å²	134.7	70%	0.702	80%	0.801	S	S	*	*			trans	86.4	96.3	144.6	0	0	0	0	0	122.4
735	E	27.9	Very low	29.2	Very low	188 Å²	188	127.6 Å²	127.6	88%	0.879	79%	0.794	S	S	*	*				46.2	105.8	122.5	-60.9	-176.7	176.8	0	0	122.2
736	D	27.1	Very low	29.2	Very low	114 Å²	114	130.7 Å²	130.7	61%	0.61	80%	0.799	S	S	*	*				-147.1	103.3	127.2	-172.6	-9.5	0	0	0	109.1	R738	D736-R738 PolarHBondContact O-N 2.98Å; D736-R738 IonicContact OD1-NE 2.59Å; D736-R738 PolarHBondContact OD1-NE 3.32Å; D736-R738 IonicContact OD1-NH2 3.91Å; D736-R738 IonicContact OD2-NE 3.67Å; D736-R738 IonicContact OD2-NH2 2.85Å; D736-R738 PolarHBondContact OD2-NH2 3.49Å; D736-R738 VanDerWaalsContact OD2-NH2 3.13Å
737	P	29	Very low	28.9	Very low	105 Å²	105	129.1 Å²	129.1	68%	0.682	80%	0.795	S	S	*	*			trans	-95.7	79.8	-179.7	34.5	-28	0	0	0	111.1
738	R	30.9	Very low	28.9	Very low	199 Å²	199	129.8 Å²	129.8	75%	0.751	79%	0.792	S	S	*	*			trans	-125.2	11.4	164.3	-78.3	-178.6	-66.5	164.6	4	114.8	D736	D736-R738 PolarHBondContact O-N 2.98Å; D736-R738 IonicContact OD1-NE 2.59Å; D736-R738 PolarHBondContact OD1-NE 3.32Å; D736-R738 IonicContact OD1-NH2 3.91Å; D736-R738 IonicContact OD2-NE 3.67Å; D736-R738 IonicContact OD2-NH2 2.85Å; D736-R738 PolarHBondContact OD2-NH2 3.49Å; D736-R738 VanDerWaalsContact OD2-NH2 3.13Å
739	F	30	Very low	28.8	Very low	206 Å²	206	133.8 Å²	133.8	90%	0.904	80%	0.797	S	S	*	*			trans	-133.5	97.4	172.1	-85.4	-92.8	0	0	0	109.1
740	V	27.5	Very low	29	Very low	145 Å²	145	131.3 Å²	131.3	88%	0.879	78%	0.78	S	S	*	*			trans	-119.2	113.2	171.4	-178.2	0	0	0	0	107.3
741	G	26.6	Very low	29.3	Very low	79 Å²	79	125.6 Å²	125.6	81%	0.814	76%	0.757	S	S	*	*			trans	135.1	51.8	165.7	0	0	0	0	0	116.7
742	S	27.8	Very low	29.8	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	75%	0.746	S	S	*	*			trans	-125.3	99.6	150.8	76	0	0	0	0	109.3	D744	S742-D744 PolarHBondContact O-N 3.15Å
743	T	30.8	Very low	30.2	Very low	142 Å²	142	124 Å²	124	87%	0.871	72%	0.719	S	S	*	*			trans	-80.8	104	161.1	43.1	0	0	0	0	107.4	A745	T743-A745 PolarHBondContact O-N 3.01Å; T743-A745 VanDerWaalsContact O-N 3.09Å
744	D	25.9	Very low	30.8	Very low	148 Å²	148	121 Å²	121	79%	0.791	70%	0.701	S	S	*	*			trans	-57.3	104.2	168.1	-69.2	-40.6	0	0	0	109.7	S742	S742-D744 PolarHBondContact O-N 3.15Å
745	A	29.4	Very low	31.4	Very low	94 Å²	94	118.4 Å²	118.4	78%	0.777	68%	0.675	S	S	*	*			trans	-89.2	103.5	163.9	0	0	0	0	0	107.9	T743 T747	T743-A745 PolarHBondContact O-N 3.01Å; T743-A745 VanDerWaalsContact O-N 3.09Å; A745-T747 PolarHBondContact O-N 3.11Å
746	V	28.8	Very low	31.8	Very low	137 Å²	137	110.9 Å²	110.9	83%	0.83	64%	0.641	S	S	*	*			trans	-44	119.2	173.3	174.9	0	0	0	0	111.1	C748	V746-C748 PolarHBondContact O-N 2.98Å
747	T	26	Very low	32.4	Very low	136 Å²	136	107.7 Å²	107.7	83%	0.834	62%	0.624	S	S	*	*			trans	-69.3	118.2	170.4	44.5	0	0	0	0	110.6	A745	A745-T747 PolarHBondContact O-N 3.11Å
748	C	28.2	Very low	33.2	Very low	123 Å²	123	107.9 Å²	107.9	83%	0.831	61%	0.614	S	S	*	*			trans	-125.6	143.7	155.3	-155.9	0	0	0	0	108.8	V746	V746-C748 PolarHBondContact O-N 2.98Å
749	N	30.2	Very low	33.7	Very low	153 Å²	153	101.3 Å²	101.3	82%	0.818	59%	0.593	S	S	*	*	S	Bend	trans	-68.6	152.5	-161	-67.1	-45.9	0	0	0	115.2
750	S	33	Very low	34.1	Very low	60 Å²	60	93.3 Å²	93.3	42%	0.42	56%	0.561	S	S	.	*	S	Bend	trans	108.7	114.6	163.5	107.4	0	0	0	0	116.1
751	M	35.8	Very low	35	Very low	86 Å²	86	88.7 Å²	88.7	42%	0.424	53%	0.531	S	S	.	.			trans	36.6	94.9	-175.5	-86.3	-177.2	65.6	0	0	116.9	R30 I753 L756	R30-M751 PolarHBondContact NH2-SD 2.86Å; M751-I753 PolarHBondContact O-N 3.24Å; M751-L756 HydrophobicContact CE-CD1 4.15Å; M751-L756 HydrophobicContact CE-CD2 4.17Å; M751-L756 HydrophobicContact CE-CG 3.92Å
752	L	39.4	Very low	35.2	Very low	113 Å²	113	94.1 Å²	94.1	59%	0.592	54%	0.535	S	S	*	.			trans	-60.2	129.8	161.9	-88.3	157.7	0	0	0	108.4	Q754 D755	L752-Q754 HydrophobicContact CB-CB 4.31Å; L752-Q754 PolarHBondContact O-N 2.86Å; L752-D755 WeakPolarHBondContact O-CA 3.46Å; L752-D755 WeakPolarHBondContact O-CB 3.49Å; L752-D755 PolarHBondContact O-N 2.95Å
753	I	38.5	Very low	35.5	Very low	17 Å²	17	94.7 Å²	94.7	9%	0.087	53%	0.53	C	S	.	.	H	α-helix	trans	-56	-20.1	170.5	-82.2	-165.1	0	0	0	112.2	L27 F82 W114 M751 D755 L756	L27-I753 HydrophobicContact CD2-CD1 3.99Å; F82-I753 HydrophobicContact CB-CD1 3.1Å; F82-I753 HydrophobicContact CB-CG1 3.63Å; F82-I753 HydrophobicContact CD1-CD1 4.46Å; F82-I753 HydrophobicContact CD1-CG1 4.16Å; F82-I753 HydrophobicContact CD2-CD1 4.48Å; F82-I753 HydrophobicContact CG-CD1 3.84Å; F82-I753 HydrophobicContact CG-CG1 4.03Å; W114-I753 HydrophobicContact CB-CG2 4.24Å; W114-I753 HydrophobicContact CD2-CG2 4.11Å; W114-I753 HydrophobicContact CG-CG2 3.78Å; M751-I753 PolarHBondContact O-N 3.24Å; I753-D755 PolarHBondContact O-N 3.24Å; I753-L756 HydrophobicContact CG1-CD1 4.09Å; I753-L756 WeakPolarHBondContact O-CB 3.23Å; I753-L756 PolarHBondContact O-N 3.38Å
754	Q	42.6	Very low	35.4	Very low	108 Å²	108	90 Å²	90	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-27.1	168.4	-64	-174.6	-4.4	0	0	112.8	L752 L757 K758	L752-Q754 HydrophobicContact CB-CB 4.31Å; L752-Q754 PolarHBondContact O-N 2.86Å; Q754-L757 PolarHBondContact O-N 3.21Å; Q754-K758 PolarHBondContact O-N 2.91Å
755	D	43.3	Very low	35.8	Very low	31 Å²	31	87.3 Å²	87.3	17%	0.166	50%	0.496	C	S	.	.	H	α-helix	trans	-72.2	-25.3	170.6	-62.5	-28.2	0	0	0	112.4	K541 L752 I753 L757 K758	K541-D755 IonicContact NZ-OD2 3.01Å; L752-D755 WeakPolarHBondContact O-CA 3.46Å; L752-D755 WeakPolarHBondContact O-CB 3.49Å; L752-D755 PolarHBondContact O-N 2.95Å; I753-D755 PolarHBondContact O-N 3.24Å; D755-L757 PolarHBondContact O-N 2.88Å; D755-K758 PolarHBondContact O-N 3.36Å; D755-K758 WeakPolarHBondContact OD1-CE 3.17Å; D755-K758 IonicContact OD1-NZ 2.8Å; D755-K758 PolarHBondContact OD1-NZ 3.32Å
756	L	36.4	Very low	36.3	Very low	31 Å²	31	91.4 Å²	91.4	16%	0.162	49%	0.493	C	S	.	.	H	α-helix	trans	-72.4	-16.4	172.9	-81.7	162.6	0	0	0	113.2	V26 M751 I753	V26-L756 HydrophobicContact CB-CD2 4.03Å; V26-L756 HydrophobicContact CG1-CD1 4.47Å; V26-L756 HydrophobicContact CG1-CD2 3.55Å; V26-L756 HydrophobicContact CG2-CD2 4.16Å; M751-L756 HydrophobicContact CE-CD1 4.15Å; M751-L756 HydrophobicContact CE-CD2 4.17Å; M751-L756 HydrophobicContact CE-CG 3.92Å; I753-L756 HydrophobicContact CG1-CD1 4.09Å; I753-L756 WeakPolarHBondContact O-CB 3.23Å; I753-L756 PolarHBondContact O-N 3.38Å
757	L	40.8	Very low	36.8	Very low	47 Å²	47	90.4 Å²	90.4	25%	0.246	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-9.5	174	-64.4	169.4	0	0	0	113.5	K19 W114 Q754 D755	K19-L757 HydrophobicContact CB-CD2 3.92Å; W114-L757 HydrophobicContact CE3-CD1 3.57Å; W114-L757 HydrophobicContact CE3-CD2 4.27Å; W114-L757 HydrophobicContact CE3-CG 4.32Å; W114-L757 HydrophobicContact CH2-CD2 3.82Å; W114-L757 HydrophobicContact CZ3-CD1 3.6Å; W114-L757 HydrophobicContact CZ3-CD2 3.43Å; W114-L757 VanDerWaalsContact CZ3-CD2 3.43Å; W114-L757 HydrophobicContact CZ3-CG 3.96Å; Q754-L757 PolarHBondContact O-N 3.21Å; D755-L757 PolarHBondContact O-N 2.88Å
758	K	44.6	Very low	37.4	Very low	109 Å²	109	88.2 Å²	88.2	47%	0.474	47%	0.474	S	S	.	.	S	Bend	trans	-75	130.4	168.2	-67.1	174.9	-168.5	165.1	0	108.1	Q754 D755 V760 C767	Q754-K758 PolarHBondContact O-N 2.91Å; D755-K758 PolarHBondContact O-N 3.36Å; D755-K758 WeakPolarHBondContact OD1-CE 3.17Å; D755-K758 IonicContact OD1-NZ 2.8Å; D755-K758 PolarHBondContact OD1-NZ 3.32Å; K758-V760 PolarHBondContact O-N 3.02Å; K758-C767 CarbonylContact C-O 3.6Å
759	I	42.7	Very low	37.8	Very low	61 Å²	61	86.3 Å²	86.3	31%	0.313	46%	0.455	S	S	.	.			trans	-74.5	113.1	-154.6	-69.5	157.1	0	0	0	108.1	Y766 C767	I759-Y766 CarbonylContact O-C 3.48Å; I759-Y766 VanDerWaalsContact O-C 3.32Å; I759-Y766 VanDerWaalsContact O-CA 3.28Å; I759-Y766 WeakPolarHBondContact O-CA 3.47Å; I759-C767 HydrophobicContact CB-CB 3.78Å; I759-C767 WeakPolarHBondContact CB-O 3.3Å; I759-C767 HydrophobicContact CG2-CB 3.86Å; I759-C767 PolarHBondContact N-O 2.89Å; I759-C767 PolarHBondContact O-N 3.01Å
760	V	38.4	Very low	38.3	Very low	37 Å²	37	82.6 Å²	82.6	22%	0.224	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-81.8	114.5	157.7	165.7	0	0	0	0	107.4	R22 K758 G764 N765 Y766	R22-V760 PolarHBondContact NH1-O 2.99Å; R22-V760 PolarHBondContact NH2-O 2.85Å; R22-V760 VanDerWaalsContact NH2-O 3.1Å; K758-V760 PolarHBondContact O-N 3.02Å; V760-G764 VanDerWaalsContact CG1-C 3.48Å; V760-N765 CarbonylContact C-O 3.56Å; V760-N765 WeakPolarHBondContact CA-O 3.48Å; V760-Y766 HydrophobicContact CG2-CD1 4.15Å; V760-Y766 HydrophobicContact CG2-CE1 4.17Å; V760-Y766 HydrophobicContact CG2-CG 4.42Å
761	D	46.7	Very low	38.6	Very low	49 Å²	49	83.9 Å²	83.9	26%	0.262	44%	0.436	S	S	.	.			trans	-60.3	177.5	176.1	76.3	-4.6	0	0	0	111.6	N763 G764 N765	D761-N763 PolarHBondContact O-N 3.09Å; D761-N763 VanDerWaalsContact OD1-C 3.26Å; D761-N763 VanDerWaalsContact OD1-CA 3.25Å; D761-N763 WeakPolarHBondContact OD1-CA 3.37Å; D761-N763 VanDerWaalsContact OD1-CB 3.32Å; D761-N763 WeakPolarHBondContact OD1-CB 3.34Å; D761-N763 PolarHBondContact OD1-N 3.32Å; D761-N763 PolarHBondContact OD2-ND2 3.08Å; D761-G764 PolarHBondContact O-N 3.43Å; D761-G764 PolarHBondContact OD1-N 2.87Å; D761-N765 PolarHBondContact N-O 2.96Å; D761-N765 WeakPolarHBondContact OD1-CB 3.21Å; D761-N765 PolarHBondContact OD1-N 2.83Å; D761-N765 PolarHBondContact OD1-ND2 3.34Å; D761-N765 PolarHBondContact OD2-ND2 2.88Å
762	E	30.9	Very low	38.7	Very low	192 Å²	192	83.8 Å²	83.8	90%	0.897	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-9.8	176.3	62	-171.2	167.2	0	0	114
763	N	32.5	Very low	38.7	Very low	114 Å²	114	81.9 Å²	81.9	61%	0.61	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	3.9	-176.9	-52.1	-60.5	0	0	0	114.1	D761	D761-N763 PolarHBondContact O-N 3.09Å; D761-N763 VanDerWaalsContact OD1-C 3.26Å; D761-N763 VanDerWaalsContact OD1-CA 3.25Å; D761-N763 WeakPolarHBondContact OD1-CA 3.37Å; D761-N763 VanDerWaalsContact OD1-CB 3.32Å; D761-N763 WeakPolarHBondContact OD1-CB 3.34Å; D761-N763 PolarHBondContact OD1-N 3.32Å; D761-N763 PolarHBondContact OD2-ND2 3.08Å
764	G	29.7	Very low	38.7	Very low	45 Å²	45	86.5 Å²	86.5	46%	0.464	45%	0.45	S	S	.	.	S	Bend	trans	92.4	4.5	-179.7	0	0	0	0	0	115.5	V760 D761	V760-G764 VanDerWaalsContact CG1-C 3.48Å; D761-G764 PolarHBondContact O-N 3.43Å; D761-G764 PolarHBondContact OD1-N 2.87Å
765	N	34.5	Very low	38.4	Very low	91 Å²	91	84.8 Å²	84.8	49%	0.487	45%	0.446	S	S	.	.			trans	-93.2	134.1	-176	-54.3	-52	0	0	0	112.5	V760 D761	V760-N765 CarbonylContact C-O 3.56Å; V760-N765 WeakPolarHBondContact CA-O 3.48Å; D761-N765 PolarHBondContact N-O 2.96Å; D761-N765 WeakPolarHBondContact OD1-CB 3.21Å; D761-N765 PolarHBondContact OD1-N 2.83Å; D761-N765 PolarHBondContact OD1-ND2 3.34Å; D761-N765 PolarHBondContact OD2-ND2 2.88Å
766	Y	39.9	Very low	38	Very low	179 Å²	179	89.3 Å²	89.3	70%	0.702	47%	0.469	S	S	*	.	B	Isolated β-bridge	trans	-69.2	130	174.8	-68.1	-91.6	0	0	0	111.9	I759 V760	I759-Y766 CarbonylContact O-C 3.48Å; I759-Y766 VanDerWaalsContact O-C 3.32Å; I759-Y766 VanDerWaalsContact O-CA 3.28Å; I759-Y766 WeakPolarHBondContact O-CA 3.47Å; V760-Y766 HydrophobicContact CG2-CD1 4.15Å; V760-Y766 HydrophobicContact CG2-CE1 4.17Å; V760-Y766 HydrophobicContact CG2-CG 4.42Å
767	C	39.1	Very low	38.2	Very low	117 Å²	117	94.6 Å²	94.6	79%	0.791	50%	0.497	S	S	*	.			trans	-130.5	0	174.3	-58.9	0	0	0	0	112	K758 I759	K758-C767 CarbonylContact C-O 3.6Å; I759-C767 HydrophobicContact CB-CB 3.78Å; I759-C767 WeakPolarHBondContact CB-O 3.3Å; I759-C767 HydrophobicContact CG2-CB 3.86Å; I759-C767 PolarHBondContact N-O 2.89Å; I759-C767 PolarHBondContact O-N 3.01Å

Retrieved 767 of 767 residues in 332.1 ms (Link to these results)

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